A0A096NCT6_PAPAN Loading...

Dual specificity phosphatase 16

AlphaFold DB , UniProt , Accession A0A096NCT6, Species PAPAN (Papio anubis, Olive baboon), Gene DUSP16, Length 662 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	57.7	Low	247 Å²	247	113.8 Å²	113.8	100%	1.217	60%	0.603	S	S	*	*				0	109.7	0	-64.6	-178.9	-71.8	0	0	106.7
2	A	32.5	Very low	60.5	Low	102 Å²	102	104.9 Å²	104.9	84%	0.843	56%	0.556	S	S	*	*			trans	-165.2	65.4	-177.3	0	0	0	0	0	108.2
3	H	37.9	Very low	62.8	Low	185 Å²	185	104.2 Å²	104.2	86%	0.856	55%	0.547	S	S	*	.			trans	-151.6	35	-173.6	-143.7	-62.1	0	0	0	112.7
4	E	46.4	Very low	64.9	Low	185 Å²	185	107.7 Å²	107.7	86%	0.864	55%	0.55	S	S	*	.			trans	-136.7	170.2	175.3	-86.9	174.6	143.6	0	0	108.7
5	M	43	Very low	66.7	Low	152 Å²	152	100.5 Å²	100.5	75%	0.749	51%	0.513	S	S	*	.			trans	70	44.7	-168.5	-48.8	-87.1	73.7	0	0	114.6	T8	M5-T8 HydrophobicContact CE-CG2 4.24Å
6	I	46.7	Very low	68.2	Low	119 Å²	119	94.6 Å²	94.6	61%	0.61	48%	0.483	S	S	*	.	S	Bend	trans	-69	131.7	143.2	-65	176.1	0	0	0	106.1	T8 V95	I6-T8 PolarHBondContact O-N 3.29Å; I6-V95 HydrophobicContact CG2-CB 3.79Å; I6-V95 HydrophobicContact CG2-CG1 3.49Å; I6-V95 VanDerWaalsContact CG2-CG1 3.49Å; I6-V95 HydrophobicContact CG2-CG2 4.43Å
7	G	56.7	Low	69.5	Low	9 Å²	9	91.5 Å²	91.5	9%	0.093	48%	0.475	C	S	.	.			trans	-40.2	119.8	-170.1	0	0	0	0	0	115.1	Q9 E112	G7-Q9 PolarHBondContact O-N 2.76Å; G7-E112 PolarHBondContact N-OE1 3.33Å
8	T	69.7	Low	70.6	Confident	71 Å²	71	87.1 Å²	87.1	44%	0.436	45%	0.452	S	S	.	.			trans	-65.2	131	-177.5	29.5	0	0	0	0	110.4	M5 I6 H119	M5-T8 HydrophobicContact CE-CG2 4.24Å; I6-T8 PolarHBondContact O-N 3.29Å; T8-H119 VanDerWaalsContact O-CA 3.29Å; T8-H119 WeakPolarHBondContact O-CA 3.1Å; T8-H119 VanDerWaalsContact O-CB 3.28Å; T8-H119 WeakPolarHBondContact O-CB 3.08Å; T8-H119 PolarHBondContact O-ND1 3.34Å; T8-H119 PolarHBondContact OG1-CE1 2.99Å; T8-H119 PolarHBondContact OG1-ND1 3.05Å; T8-H119 VanDerWaalsContact OG1-ND1 3.13Å
9	Q	83.5	Confident	71.5	Confident	94 Å²	94	85.9 Å²	85.9	44%	0.439	45%	0.447	S	S	.	.			trans	-60.4	147.4	175.2	-64.7	164.6	26.7	0	0	111.1	G7 Q93 D94 L120	G7-Q9 PolarHBondContact O-N 2.76Å; Q9-Q93 PolarHBondContact OE1-O 3.45Å; Q9-D94 VanDerWaalsContact NE2-CB 3.31Å; Q9-D94 PolarHBondContact NE2-OD1 2.54Å; Q9-L120 CarbonylContact C-O 3.55Å; Q9-L120 WeakPolarHBondContact CA-O 3.48Å
10	I	90.9	Very high	72.2	Confident	13 Å²	13	89 Å²	89	7%	0.067	46%	0.459	C	S	.	.	B	Isolated β-bridge	trans	-120.1	131	166.2	-170.3	170.8	0	0	0	109	R14 L15 L18 V86 H119 L120 L121 A122	I10-R14 HydrophobicContact CD1-CB 4.33Å; I10-R14 HydrophobicContact CD1-CG 4.1Å; I10-R14 HydrophobicContact CG1-CB 3.89Å; I10-R14 HydrophobicContact CG1-CG 3.99Å; I10-L15 HydrophobicContact CD1-CB 4.26Å; I10-L18 HydrophobicContact CD1-CD1 3.63Å; I10-V86 HydrophobicContact CD1-CG2 4.46Å; I10-V86 HydrophobicContact CG2-CG1 3.71Å; I10-V86 HydrophobicContact CG2-CG2 4.28Å; I10-H119 HydrophobicContact CB-CB 4.2Å; I10-H119 HydrophobicContact CG2-CB 3.89Å; I10-L120 PolarHBondContact N-O 3.43Å; I10-L121 HydrophobicContact CG2-CD1 4.28Å; I10-L121 WeakPolarHBondContact O-CA 3.43Å; I10-A122 PolarHBondContact O-N 2.85Å
11	V	92.8	Very high	72.6	Confident	75 Å²	75	87.2 Å²	87.2	46%	0.455	45%	0.454	S	S	.	.			trans	-81.3	156.8	175.2	-63.1	0	0	0	0	111.1	E13 R14 L15	V11-E13 VanDerWaalsContact C-N 3.31Å; V11-E13 PolarHBondContact O-N 3.22Å; V11-R14 HydrophobicContact CG2-CB 3.86Å; V11-R14 PolarHBondContact O-N 2.93Å; V11-L15 PolarHBondContact O-N 3.39Å
12	T	90.9	Very high	74.3	Confident	7 Å²	7	78.8 Å²	78.8	4%	0.043	43%	0.431	C	S	.	.	H	α-helix	trans	-52.9	-44	-174.3	33.9	0	0	0	0	113.4	R14 L15 V16 L121 E127 F128	T12-R14 VanDerWaalsContact C-N 3.29Å; T12-R14 PolarHBondContact O-N 3.46Å; T12-L15 PolarHBondContact O-N 3.39Å; T12-V16 WeakPolarHBondContact O-CG2 3.36Å; T12-V16 PolarHBondContact O-N 2.91Å; T12-V16 VanDerWaalsContact O-N 3.11Å; T12-L121 HydrophobicContact CG2-CD1 4.12Å; T12-E127 HydrophobicContact CG2-CB 4.07Å; T12-E127 HydrophobicContact CG2-CG 3.81Å; T12-F128 HydrophobicContact CG2-CB 3.87Å; T12-F128 HydrophobicContact CG2-CD2 4.07Å; T12-F128 HydrophobicContact CG2-CG 4.42Å
13	E	91.3	Very high	75.7	Confident	95 Å²	95	79.9 Å²	79.9	44%	0.444	43%	0.427	S	S	.	.	H	α-helix	trans	-68.1	-32.7	-178.1	-57.3	60.8	-123.2	0	0	110.9	V11 A17 F132	V11-E13 VanDerWaalsContact C-N 3.31Å; V11-E13 PolarHBondContact O-N 3.22Å; E13-A17 PolarHBondContact O-N 3.07Å; E13-F132 HydrophobicContact CG-CE2 4.4Å; E13-F132 HydrophobicContact CG-CZ 4.16Å
14	R	90.9	Very high	77.1	Confident	154 Å²	154	74.6 Å²	74.6	58%	0.581	40%	0.403	S	S	*	.	H	α-helix	trans	-77.9	-31.9	179	-171.2	59.5	178.6	-174.1	4.8	111.8	I10 V11 T12 L18	I10-R14 HydrophobicContact CD1-CB 4.33Å; I10-R14 HydrophobicContact CD1-CG 4.1Å; I10-R14 HydrophobicContact CG1-CB 3.89Å; I10-R14 HydrophobicContact CG1-CG 3.99Å; V11-R14 HydrophobicContact CG2-CB 3.86Å; V11-R14 PolarHBondContact O-N 2.93Å; T12-R14 VanDerWaalsContact C-N 3.29Å; T12-R14 PolarHBondContact O-N 3.46Å; R14-L18 WeakPolarHBondContact O-CG 3.44Å; R14-L18 PolarHBondContact O-N 3.4Å
15	L	92.2	Very high	78.6	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-63.8	-46.4	169.6	174	57.6	0	0	0	110.6	I10 V11 T12 A17 L18 L19 V26 L28 I42 V86 L121 F128	I10-L15 HydrophobicContact CD1-CB 4.26Å; V11-L15 PolarHBondContact O-N 3.39Å; T12-L15 PolarHBondContact O-N 3.39Å; L15-A17 PolarHBondContact O-N 2.96Å; L15-L18 WeakPolarHBondContact O-CB 3.36Å; L15-L18 PolarHBondContact O-N 3Å; L15-L18 VanDerWaalsContact O-N 3.1Å; L15-L19 HydrophobicContact CD1-CD1 4.18Å; L15-L19 HydrophobicContact CD1-CG 4.14Å; L15-L19 HydrophobicContact CG-CD1 4.09Å; L15-L19 HydrophobicContact CG-CG 4.49Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 3.39Å; L15-V26 HydrophobicContact CD1-CG1 4.46Å; L15-L28 HydrophobicContact CD1-CD1 4.34Å; L15-L28 HydrophobicContact CD2-CD1 4.08Å; L15-I42 HydrophobicContact CD2-CD1 4.12Å; L15-V86 HydrophobicContact CD1-CB 4.37Å; L15-V86 HydrophobicContact CD1-CG1 4.25Å; L15-V86 HydrophobicContact CD1-CG2 4.18Å; L15-V86 HydrophobicContact CD2-CG1 4.24Å; L15-L121 HydrophobicContact CB-CD1 4.18Å; L15-L121 HydrophobicContact CD2-CD1 3.81Å; L15-L121 HydrophobicContact CD2-CD2 3.81Å; L15-L121 HydrophobicContact CD2-CG 4.39Å; L15-F128 HydrophobicContact CB-CE2 4.41Å; L15-F128 HydrophobicContact CD2-CD2 3.9Å; L15-F128 HydrophobicContact CD2-CE2 3.68Å; L15-F128 HydrophobicContact CG-CE2 4Å
16	V	91.5	Very high	80.8	Confident	5 Å²	5	65 Å²	65	3%	0.03	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-47.5	177.6	173.2	0	0	0	0	111.7	T12 L18 L19 E20 F128 F132 L135	T12-V16 WeakPolarHBondContact O-CG2 3.36Å; T12-V16 PolarHBondContact O-N 2.91Å; T12-V16 VanDerWaalsContact O-N 3.11Å; V16-L18 PolarHBondContact O-N 3.23Å; V16-L18 VanDerWaalsContact O-N 3.11Å; V16-L19 PolarHBondContact O-N 2.97Å; V16-E20 HydrophobicContact CG1-CG 4.01Å; V16-E20 WeakPolarHBondContact O-CB 3.35Å; V16-E20 WeakPolarHBondContact O-CG 3.44Å; V16-E20 PolarHBondContact O-N 3.46Å; V16-F128 HydrophobicContact CG2-CE2 3.65Å; V16-F128 HydrophobicContact CG2-CZ 3.85Å; V16-F132 HydrophobicContact CB-CE1 4.33Å; V16-F132 HydrophobicContact CB-CZ 4.33Å; V16-F132 HydrophobicContact CG1-CD1 4.35Å; V16-F132 HydrophobicContact CG1-CE1 4.19Å; V16-F132 HydrophobicContact CG2-CB 4.25Å; V16-F132 HydrophobicContact CG2-CD1 3.78Å; V16-F132 HydrophobicContact CG2-CD2 3.55Å; V16-F132 HydrophobicContact CG2-CE1 3.95Å; V16-F132 HydrophobicContact CG2-CE2 3.75Å; V16-F132 HydrophobicContact CG2-CG 3.58Å; V16-F132 HydrophobicContact CG2-CZ 3.94Å; V16-L135 HydrophobicContact CB-CD1 4.28Å; V16-L135 HydrophobicContact CG1-CD1 3.74Å; V16-L135 HydrophobicContact CG2-CD1 3.66Å
17	A	90	Very high	83	Confident	43 Å²	43	59.7 Å²	59.7	36%	0.355	33%	0.329	S	S	.	.	H	α-helix	trans	-59.3	-25.5	177	0	0	0	0	0	114	E13 L15 S21	E13-A17 PolarHBondContact O-N 3.07Å; L15-A17 PolarHBondContact O-N 2.96Å; A17-S21 WeakPolarHBondContact O-CB 3.38Å; A17-S21 PolarHBondContact O-N 3.09Å
18	L	88.4	Confident	84.8	Confident	11 Å²	11	59.6 Å²	59.6	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-78.4	-44.3	172.8	-67.5	173.6	0	0	0	111.9	I10 R14 L15 V16 S21 E24 V26 K84	I10-L18 HydrophobicContact CD1-CD1 3.63Å; R14-L18 WeakPolarHBondContact O-CG 3.44Å; R14-L18 PolarHBondContact O-N 3.4Å; L15-L18 WeakPolarHBondContact O-CB 3.36Å; L15-L18 PolarHBondContact O-N 3Å; L15-L18 VanDerWaalsContact O-N 3.1Å; V16-L18 PolarHBondContact O-N 3.23Å; V16-L18 VanDerWaalsContact O-N 3.11Å; L18-S21 PolarHBondContact O-N 2.93Å; L18-S21 PolarHBondContact O-OG 2.95Å; L18-E24 WeakPolarHBondContact CD2-OE2 3.18Å; L18-V26 HydrophobicContact CB-CG2 3.98Å; L18-V26 HydrophobicContact CD1-CG2 4.5Å; L18-K84 HydrophobicContact CD1-CD 3.69Å
19	L	87.8	Confident	86.1	Confident	66 Å²	66	56.2 Å²	56.2	35%	0.346	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-42.1	177.2	-64.9	172.2	0	0	0	111.6	L15 V16 F128	L15-L19 HydrophobicContact CD1-CD1 4.18Å; L15-L19 HydrophobicContact CD1-CG 4.14Å; L15-L19 HydrophobicContact CG-CD1 4.09Å; L15-L19 HydrophobicContact CG-CG 4.49Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 3.39Å; V16-L19 PolarHBondContact O-N 2.97Å; L19-F128 HydrophobicContact CD1-CZ 4.48Å
20	E	85.9	Confident	86.7	Confident	147 Å²	147	51.8 Å²	51.8	69%	0.687	29%	0.285	S	S	*	.	H	α-helix	trans	-71.4	-29.2	177.7	-69.2	179.4	159.6	0	0	113.3	V16 G22	V16-E20 HydrophobicContact CG1-CG 4.01Å; V16-E20 WeakPolarHBondContact O-CB 3.35Å; V16-E20 WeakPolarHBondContact O-CG 3.44Å; V16-E20 PolarHBondContact O-N 3.46Å; E20-G22 VanDerWaalsContact C-N 3.29Å; E20-G22 PolarHBondContact O-N 3.16Å
21	S	81	Confident	86.9	Confident	52 Å²	52	51.4 Å²	51.4	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-66.8	-28.2	-177.5	73.1	0	0	0	0	113.8	A17 L18 T23	A17-S21 WeakPolarHBondContact O-CB 3.38Å; A17-S21 PolarHBondContact O-N 3.09Å; L18-S21 PolarHBondContact O-N 2.93Å; L18-S21 PolarHBondContact O-OG 2.95Å; S21-T23 WeakPolarHBondContact CB-OG1 3.12Å; S21-T23 PolarHBondContact O-N 2.81Å; S21-T23 PolarHBondContact OG-N 3.38Å; S21-T23 PolarHBondContact OG-OG1 2.8Å
22	G	69.3	Low	86.9	Confident	70 Å²	70	48.2 Å²	48.2	72%	0.722	26%	0.263	S	S	*	.			trans	62.2	-5.5	-174.7	0	0	0	0	0	115.8	E20	E20-G22 VanDerWaalsContact C-N 3.29Å; E20-G22 PolarHBondContact O-N 3.16Å
23	T	63.4	Low	86.9	Confident	124 Å²	124	50.2 Å²	50.2	76%	0.761	28%	0.276	S	S	*	.	S	Bend	trans	-88.3	-22.6	-173.5	45.5	0	0	0	0	114.4	S21	S21-T23 WeakPolarHBondContact CB-OG1 3.12Å; S21-T23 PolarHBondContact O-N 2.81Å; S21-T23 PolarHBondContact OG-N 3.38Å; S21-T23 PolarHBondContact OG-OG1 2.8Å
24	E	66.7	Low	86.8	Confident	75 Å²	75	51.2 Å²	51.2	35%	0.35	28%	0.279	S	S	.	.	S	Bend	trans	-109.8	131.2	175.2	-70.1	-167.8	-179.5	0	0	110.9	L18 V26 K84	L18-E24 WeakPolarHBondContact CD2-OE2 3.18Å; E24-V26 HydrophobicContact CB-CG2 4.36Å; E24-V26 PolarHBondContact O-N 2.85Å; E24-K84 IonicContact OE1-NZ 3.17Å; E24-K84 PolarHBondContact OE1-NZ 3.16Å; E24-K84 WeakPolarHBondContact OE2-CD 3.38Å; E24-K84 WeakPolarHBondContact OE2-CE 3.47Å; E24-K84 IonicContact OE2-NZ 3.59Å; E24-K84 PolarHBondContact OE2-NZ 2.96Å
25	K	77.6	Confident	86.6	Confident	105 Å²	105	48.8 Å²	48.8	46%	0.457	28%	0.281	S	S	.	.			trans	-80.5	67.4	179.7	-165.2	-166.8	-174.7	-167.2	0	111.3	L27 D78 Q83	K25-L27 PolarHBondContact O-N 2.98Å; K25-D78 PolarHBondContact NZ-O 2.9Å; K25-D78 IonicContact NZ-OD2 2.69Å; K25-D78 PolarHBondContact NZ-OD2 3.29Å; K25-Q83 HydrophobicContact CB-CG 4.48Å; K25-Q83 HydrophobicContact CD-CG 4.12Å; K25-Q83 PolarHBondContact O-NE2 2.88Å
26	V	90	Very high	86.6	Confident	30 Å²	30	52.3 Å²	52.3	18%	0.182	30%	0.298	C	S	.	.			trans	-59.5	132.2	-178.6	-178.7	0	0	0	0	110.9	L15 L18 E24 K84 V86	L15-V26 HydrophobicContact CD1-CG1 4.46Å; L18-V26 HydrophobicContact CB-CG2 3.98Å; L18-V26 HydrophobicContact CD1-CG2 4.5Å; E24-V26 HydrophobicContact CB-CG2 4.36Å; E24-V26 PolarHBondContact O-N 2.85Å; V26-K84 CarbonylContact C-O 3.6Å; V26-K84 WeakPolarHBondContact CA-O 3.3Å; V26-V86 HydrophobicContact CG1-CG2 4.11Å
27	L	92.6	Very high	86.6	Confident	7 Å²	7	53 Å²	53	4%	0.037	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	105.8	171.6	-175.8	68.6	0	0	0	109	K25 I29 I46 I69 V77 K84 V85 V86 F115	K25-L27 PolarHBondContact O-N 2.98Å; L27-I29 HydrophobicContact CD2-CD1 4.36Å; L27-I29 HydrophobicContact CG-CG1 4.44Å; L27-I46 HydrophobicContact CD1-CD1 3.7Å; L27-I69 HydrophobicContact CD1-CG2 4.36Å; L27-I69 HydrophobicContact CD2-CD1 4.1Å; L27-I69 HydrophobicContact CD2-CG2 4.36Å; L27-V77 HydrophobicContact CD1-CG1 4.07Å; L27-K84 PolarHBondContact N-O 3.25Å; L27-V85 HydrophobicContact CB-CG2 4.28Å; L27-V85 HydrophobicContact CD2-CG1 4.49Å; L27-V85 HydrophobicContact CD2-CG2 4.12Å; L27-V85 WeakPolarHBondContact O-CA 3.11Å; L27-V86 PolarHBondContact O-N 3.18Å; L27-F115 HydrophobicContact CD2-CE1 3.89Å; L27-F115 HydrophobicContact CD2-CE2 4.45Å; L27-F115 HydrophobicContact CD2-CZ 3.67Å
28	L	94.7	Very high	86.6	Confident	8 Å²	8	55 Å²	55	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.3	-174.3	-170.5	60	0	0	0	111	L15 I42 A45 I46 V86 Y88	L15-L28 HydrophobicContact CD1-CD1 4.34Å; L15-L28 HydrophobicContact CD2-CD1 4.08Å; L28-I42 HydrophobicContact CD2-CB 3.73Å; L28-I42 HydrophobicContact CD2-CD1 4.43Å; L28-I42 HydrophobicContact CD2-CG2 3.47Å; L28-I42 VanDerWaalsContact CD2-CG2 3.47Å; L28-A45 HydrophobicContact CB-CB 4.42Å; L28-A45 HydrophobicContact CD2-CB 4.05Å; L28-A45 HydrophobicContact CG-CB 3.91Å; L28-A45 WeakPolarHBondContact O-CA 3.34Å; L28-I46 PolarHBondContact O-N 3.28Å; L28-V86 WeakPolarHBondContact CA-O 3.47Å; L28-V86 HydrophobicContact CD1-CB 3.88Å; L28-V86 HydrophobicContact CD1-CG1 3.95Å; L28-Y88 HydrophobicContact CD1-CD1 3.94Å; L28-Y88 HydrophobicContact CD1-CE1 3.99Å; L28-Y88 HydrophobicContact CD2-CE1 4.44Å; L28-Y88 HydrophobicContact CG-CD1 4.42Å; L28-Y88 HydrophobicContact CG-CE1 3.97Å
29	I	95.9	Very high	86.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.9	-171.9	-63.3	179.7	0	0	0	110.6	L27 I46 I48 I69 V85 V86 V87 Y88 L107 L111	L27-I29 HydrophobicContact CD2-CD1 4.36Å; L27-I29 HydrophobicContact CG-CG1 4.44Å; I29-I46 WeakPolarHBondContact CA-O 3.17Å; I29-I48 HydrophobicContact CD1-CD1 4.07Å; I29-I48 HydrophobicContact CG1-CD1 4.48Å; I29-I48 HydrophobicContact CG2-CB 4.29Å; I29-I48 HydrophobicContact CG2-CD1 3.7Å; I29-I48 HydrophobicContact CG2-CG1 3.87Å; I29-I69 HydrophobicContact CD1-CD1 4.34Å; I29-I69 HydrophobicContact CD1-CG1 4.38Å; I29-V85 HydrophobicContact CD1-CG1 3.6Å; I29-V85 HydrophobicContact CG1-CG1 4.24Å; I29-V86 PolarHBondContact N-O 2.83Å; I29-V87 HydrophobicContact CB-CG1 4.42Å; I29-V87 HydrophobicContact CB-CG2 4.34Å; I29-V87 HydrophobicContact CG2-CG1 4.18Å; I29-V87 WeakPolarHBondContact O-CA 3.34Å; I29-Y88 WeakPolarHBondContact O-CD1 3.4Å; I29-Y88 PolarHBondContact O-N 2.86Å; I29-L107 HydrophobicContact CG2-CD2 4.23Å; I29-L111 HydrophobicContact CD1-CD1 3.89Å; I29-L111 HydrophobicContact CD1-CD2 3.77Å
30	D	96.4	Very high	86.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.7	170.6	-168.1	-24.1	0	0	0	109.8	R32 Y37 A45 I46 N47 I48 Y88	D30-R32 WeakPolarHBondContact OD1-CB 3.44Å; D30-R32 WeakPolarHBondContact OD1-CG 3.47Å; D30-R32 PolarHBondContact OD1-N 3.04Å; D30-R32 IonicContact OD1-NE 2.73Å; D30-R32 PolarHBondContact OD1-NE 2.81Å; D30-R32 IonicContact OD2-CZ 2.64Å; D30-R32 VanDerWaalsContact OD2-CZ 3.3Å; D30-R32 IonicContact OD2-NE 3.82Å; D30-R32 PolarHBondContact OD2-NE 3.21Å; D30-R32 VanDerWaalsContact OD2-NE 3.08Å; D30-R32 IonicContact OD2-NH2 2.72Å; D30-R32 PolarHBondContact OD2-NH2 2.89Å; D30-Y37 HydrophobicContact CB-CD2 3.83Å; D30-Y37 HydrophobicContact CB-CE2 4.42Å; D30-Y37 WeakPolarHBondContact OD2-CD2 3.35Å; D30-A45 HydrophobicContact CB-CB 4.38Å; D30-I46 PolarHBondContact N-O 3.44Å; D30-N47 CarbonylContact O-C 3.51Å; D30-N47 WeakPolarHBondContact O-CA 3.47Å; D30-N47 PolarHBondContact O-ND2 3.01Å; D30-N47 VanDerWaalsContact O-ND2 3.08Å; D30-I48 PolarHBondContact O-N 2.86Å; D30-Y88 HydrophobicContact CB-CE1 4Å; D30-Y88 HydrophobicContact CB-CE2 3.88Å; D30-Y88 WeakPolarHBondContact OD2-CE2 3.33Å; D30-Y88 PolarHBondContact OD2-OH 2.87Å
31	S	95.2	Very high	87.2	Confident	5 Å²	5	49.8 Å²	49.8	4%	0.035	29%	0.286	C	S	.	.			trans	-88.4	-2.3	179.1	71.2	0	0	0	0	114.2	C50 Y88 D89	S31-C50 WeakPolarHBondContact O-CB 3.11Å; S31-Y88 WeakPolarHBondContact CB-O 3.21Å; S31-Y88 PolarHBondContact N-O 3.4Å; S31-Y88 PolarHBondContact OG-O 2.92Å; S31-D89 WeakPolarHBondContact OG-CB 3.49Å
32	R	93.8	Very high	87.9	Confident	9 Å²	9	47.3 Å²	47.3	3%	0.034	27%	0.269	C	S	.	.	S	Bend	trans	-70.3	164.5	-175.7	-62.2	178.5	-62.6	157.2	2.6	112.6	D30 E36 S40 N47 Q90 F125	D30-R32 WeakPolarHBondContact OD1-CB 3.44Å; D30-R32 WeakPolarHBondContact OD1-CG 3.47Å; D30-R32 PolarHBondContact OD1-N 3.04Å; D30-R32 IonicContact OD1-NE 2.73Å; D30-R32 PolarHBondContact OD1-NE 2.81Å; D30-R32 IonicContact OD2-CZ 2.64Å; D30-R32 VanDerWaalsContact OD2-CZ 3.3Å; D30-R32 IonicContact OD2-NE 3.82Å; D30-R32 PolarHBondContact OD2-NE 3.21Å; D30-R32 VanDerWaalsContact OD2-NE 3.08Å; D30-R32 IonicContact OD2-NH2 2.72Å; D30-R32 PolarHBondContact OD2-NH2 2.89Å; R32-E36 HydrophobicContact CB-CB 4.16Å; R32-S40 PolarHBondContact NH2-O 3.32Å; R32-N47 PolarHBondContact O-ND2 3.26Å; R32-Q90 HydrophobicContact CG-CB 4.37Å; R32-F125 VanDerWaalsContact NH1-CG 3.35Å
33	P	91.1	Very high	88.9	Confident	49 Å²	49	47.4 Å²	47.4	32%	0.318	25%	0.252	S	S	.	.			trans	-53.1	141	169	-26.5	36.3	0	0	0	112	V35 E36 Y37	P33-V35 PolarHBondContact O-N 3.46Å; P33-E36 WeakPolarHBondContact CG-OE1 3.44Å; P33-E36 PolarHBondContact O-N 3.05Å; P33-Y37 PolarHBondContact O-N 3.31Å
34	F	87.9	Confident	90.2	Very high	115 Å²	115	47.7 Å²	47.7	50%	0.504	25%	0.245	S	C	.	.	H	α-helix	trans	-48.4	-32.6	-178.9	-179.3	-103	0	0	0	114.5	N38 N49	F34-N38 WeakPolarHBondContact CD1-ND2 3.44Å; F34-N38 VanDerWaalsContact CD2-ND2 3.31Å; F34-N38 WeakPolarHBondContact CD2-ND2 3.45Å; F34-N38 VanDerWaalsContact CE1-ND2 3.32Å; F34-N38 WeakPolarHBondContact CE1-ND2 3.5Å; F34-N38 WeakPolarHBondContact CE2-ND2 3.43Å; F34-N38 WeakPolarHBondContact CG-ND2 3.47Å; F34-N38 WeakPolarHBondContact CZ-ND2 3.43Å; F34-N38 WeakPolarHBondContact O-CB 3.48Å; F34-N38 PolarHBondContact O-N 3.15Å; F34-N38 VanDerWaalsContact O-N 3.09Å; F34-N38 PolarHBondContact O-ND2 3Å; F34-N49 HydrophobicContact CB-CB 4.41Å; F34-N49 PolarHBondContact N-OD1 3.3Å
35	V	88	Confident	91.5	Very high	103 Å²	103	44.3 Å²	44.3	62%	0.624	23%	0.23	S	C	*	.	H	α-helix	trans	-69	-37.2	178.8	-178.1	0	0	0	0	112.5	P33 T39	P33-V35 PolarHBondContact O-N 3.46Å; V35-T39 PolarHBondContact O-N 2.8Å; V35-T39 PolarHBondContact O-OG1 2.99Å
36	E	90.5	Very high	92.3	Very high	74 Å²	74	40 Å²	40	35%	0.346	21%	0.212	S	C	.	.	H	α-helix	trans	-71.2	-47.4	179.1	-70.8	166	-138.8	0	0	110.4	R32 P33 N38 T39 S40	R32-E36 HydrophobicContact CB-CB 4.16Å; P33-E36 WeakPolarHBondContact CG-OE1 3.44Å; P33-E36 PolarHBondContact O-N 3.05Å; E36-N38 PolarHBondContact O-N 3.4Å; E36-T39 WeakPolarHBondContact O-CB 3.24Å; E36-T39 PolarHBondContact O-N 3.47Å; E36-S40 PolarHBondContact O-N 3.34Å; E36-S40 VanDerWaalsContact O-N 3.15Å
37	Y	91.9	Very high	92.5	Very high	20 Å²	20	39.2 Å²	39.2	8%	0.078	21%	0.206	C	C	.	.	H	α-helix	trans	-53.5	-51.9	173.5	167.7	-95.3	0	0	0	112.3	D30 P33 T39 S40 H41 A45 N47	D30-Y37 HydrophobicContact CB-CD2 3.83Å; D30-Y37 HydrophobicContact CB-CE2 4.42Å; D30-Y37 WeakPolarHBondContact OD2-CD2 3.35Å; P33-Y37 PolarHBondContact O-N 3.31Å; Y37-T39 PolarHBondContact O-N 3.47Å; Y37-T39 VanDerWaalsContact O-N 3.16Å; Y37-S40 CarbonylContact O-C 3.59Å; Y37-S40 PolarHBondContact O-N 3.29Å; Y37-H41 HydrophobicContact CD2-CB 3.4Å; Y37-H41 VanDerWaalsContact CD2-CB 3.4Å; Y37-H41 AromaticContact CD2-CD2 3.86Å; Y37-H41 AromaticContact CD2-CE1 3.9Å; Y37-H41 AromaticContact CD2-CG 3.44Å; Y37-H41 VanDerWaalsContact CD2-CG 3.44Å; Y37-H41 AromaticContact CD2-ND1 3.76Å; Y37-H41 HydrophobicContact CE2-CB 3.79Å; Y37-H41 AromaticContact CE2-CD2 3.26Å; Y37-H41 WeakPolarHBondContact CE2-CD2 3.24Å; Y37-H41 AromaticContact CE2-CG 3.36Å; Y37-H41 AromaticContact CE2-ND1 3.72Å; Y37-H41 HydrophobicContact CG-CB 4.23Å; Y37-H41 AromaticContact CG-CE1 3.92Å; Y37-H41 AromaticContact CZ-CD2 3.78Å; Y37-H41 AromaticContact CZ-ND1 3.97Å; Y37-H41 CovalentContact O-CE1 1.84Å; Y37-H41 PolarHBondContact O-CE1 3.2Å; Y37-H41 PolarHBondContact O-ND1 2.94Å; Y37-A45 WeakPolarHBondContact CE2-O 3.23Å; Y37-A45 PolarHBondContact OH-O 3.09Å; Y37-N47 HydrophobicContact CD1-CB 3.68Å; Y37-N47 HydrophobicContact CD2-CB 3.62Å; Y37-N47 HydrophobicContact CE1-CB 3.87Å; Y37-N47 HydrophobicContact CE2-CB 3.77Å; Y37-N47 HydrophobicContact CG-CB 3.56Å
38	N	89.5	Confident	92.6	Very high	85 Å²	85	38.9 Å²	38.9	46%	0.455	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.3	178.8	-75	-80.5	0	0	0	113.8	F34 E36	F34-N38 WeakPolarHBondContact CD1-ND2 3.44Å; F34-N38 VanDerWaalsContact CD2-ND2 3.31Å; F34-N38 WeakPolarHBondContact CD2-ND2 3.45Å; F34-N38 VanDerWaalsContact CE1-ND2 3.32Å; F34-N38 WeakPolarHBondContact CE1-ND2 3.5Å; F34-N38 WeakPolarHBondContact CE2-ND2 3.43Å; F34-N38 WeakPolarHBondContact CG-ND2 3.47Å; F34-N38 WeakPolarHBondContact CZ-ND2 3.43Å; F34-N38 WeakPolarHBondContact O-CB 3.48Å; F34-N38 PolarHBondContact O-N 3.15Å; F34-N38 VanDerWaalsContact O-N 3.09Å; F34-N38 PolarHBondContact O-ND2 3Å; E36-N38 PolarHBondContact O-N 3.4Å
39	T	88.5	Confident	92	Very high	80 Å²	80	41.6 Å²	41.6	49%	0.491	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-51.4	172.4	-59.1	0	0	0	0	110.1	V35 E36 Y37	V35-T39 PolarHBondContact O-N 2.8Å; V35-T39 PolarHBondContact O-OG1 2.99Å; E36-T39 WeakPolarHBondContact O-CB 3.24Å; E36-T39 PolarHBondContact O-N 3.47Å; Y37-T39 PolarHBondContact O-N 3.47Å; Y37-T39 VanDerWaalsContact O-N 3.16Å
40	S	92.9	Very high	91.2	Very high	22 Å²	22	44.2 Å²	44.2	15%	0.154	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	144	164.9	-176.1	0	0	0	0	110.2	R32 E36 Y37 F125 E137	R32-S40 PolarHBondContact NH2-O 3.32Å; E36-S40 PolarHBondContact O-N 3.34Å; E36-S40 VanDerWaalsContact O-N 3.15Å; Y37-S40 CarbonylContact O-C 3.59Å; Y37-S40 PolarHBondContact O-N 3.29Å; S40-F125 WeakPolarHBondContact O-CZ 3.42Å; S40-E137 CarbonylContact C-O 3.32Å; S40-E137 WeakPolarHBondContact CA-O 3.45Å; S40-E137 WeakPolarHBondContact CB-O 3.41Å; S40-E137 PolarHBondContact OG-O 3.36Å
41	H	94.8	Very high	90.7	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.06	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	166.8	-179.5	53.6	-82.5	0	0	0	109.9	Y37 F125 C136 E137	Y37-H41 HydrophobicContact CD2-CB 3.4Å; Y37-H41 VanDerWaalsContact CD2-CB 3.4Å; Y37-H41 AromaticContact CD2-CD2 3.86Å; Y37-H41 AromaticContact CD2-CE1 3.9Å; Y37-H41 AromaticContact CD2-CG 3.44Å; Y37-H41 VanDerWaalsContact CD2-CG 3.44Å; Y37-H41 AromaticContact CD2-ND1 3.76Å; Y37-H41 HydrophobicContact CE2-CB 3.79Å; Y37-H41 AromaticContact CE2-CD2 3.26Å; Y37-H41 WeakPolarHBondContact CE2-CD2 3.24Å; Y37-H41 AromaticContact CE2-CG 3.36Å; Y37-H41 AromaticContact CE2-ND1 3.72Å; Y37-H41 HydrophobicContact CG-CB 4.23Å; Y37-H41 AromaticContact CG-CE1 3.92Å; Y37-H41 AromaticContact CZ-CD2 3.78Å; Y37-H41 AromaticContact CZ-ND1 3.97Å; Y37-H41 CovalentContact O-CE1 1.84Å; Y37-H41 PolarHBondContact O-CE1 3.2Å; Y37-H41 PolarHBondContact O-ND1 2.94Å; H41-F125 VanDerWaalsContact C-CE2 3.48Å; H41-F125 VanDerWaalsContact CA-CE2 3.49Å; H41-C136 CarbonylContact O-C 3.59Å; H41-C136 VanDerWaalsContact O-C 3.32Å; H41-C136 WeakPolarHBondContact O-CA 3.39Å; H41-C136 WeakPolarHBondContact O-CB 3.49Å; H41-E137 PolarHBondContact N-O 2.9Å; H41-E137 IonicContact NE2-OE1 2.67Å; H41-E137 PolarHBondContact NE2-OE1 2.98Å; H41-E137 PolarHBondContact O-N 2.97Å; H41-E137 VanDerWaalsContact O-O 3.13Å
42	I	94.9	Very high	90.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	141.7	172.2	-49.9	178.1	0	0	0	108.8	L15 L28 A45 Y88 L121 F125 F128 L135	L15-I42 HydrophobicContact CD2-CD1 4.12Å; L28-I42 HydrophobicContact CD2-CB 3.73Å; L28-I42 HydrophobicContact CD2-CD1 4.43Å; L28-I42 HydrophobicContact CD2-CG2 3.47Å; L28-I42 VanDerWaalsContact CD2-CG2 3.47Å; I42-A45 WeakPolarHBondContact O-CB 3.48Å; I42-A45 PolarHBondContact O-N 3.43Å; I42-A45 VanDerWaalsContact O-N 3.15Å; I42-Y88 HydrophobicContact CB-CE1 4.22Å; I42-Y88 HydrophobicContact CD1-CD1 3.95Å; I42-Y88 HydrophobicContact CD1-CE1 3.72Å; I42-Y88 HydrophobicContact CD1-CE2 4.33Å; I42-Y88 HydrophobicContact CD1-CG 4.33Å; I42-Y88 HydrophobicContact CG1-CE1 3.97Å; I42-Y88 HydrophobicContact CG1-CE2 4.22Å; I42-Y88 PolarHBondContact N-OH 2.84Å; I42-L121 HydrophobicContact CD1-CD2 3.69Å; I42-F125 HydrophobicContact CG1-CD2 3.97Å; I42-F125 HydrophobicContact CG1-CE2 4.21Å; I42-F128 HydrophobicContact CB-CD1 4.47Å; I42-F128 HydrophobicContact CB-CE1 4.25Å; I42-F128 HydrophobicContact CD1-CB 4.05Å; I42-F128 HydrophobicContact CD1-CD1 3.63Å; I42-F128 HydrophobicContact CD1-CD2 3.82Å; I42-F128 HydrophobicContact CD1-CE1 4Å; I42-F128 HydrophobicContact CD1-CE2 4.17Å; I42-F128 HydrophobicContact CD1-CG 3.54Å; I42-F128 HydrophobicContact CD1-CZ 4.25Å; I42-F128 HydrophobicContact CG1-CD1 3.58Å; I42-F128 HydrophobicContact CG1-CE1 3.84Å; I42-F128 HydrophobicContact CG1-CG 4.03Å; I42-F128 HydrophobicContact CG1-CZ 4.47Å; I42-F128 HydrophobicContact CG2-CD1 4.22Å; I42-F128 HydrophobicContact CG2-CE1 3.55Å; I42-F128 HydrophobicContact CG2-CE2 4.46Å; I42-F128 HydrophobicContact CG2-CZ 3.69Å; I42-L135 WeakPolarHBondContact CG2-O 3.45Å
43	L	91.4	Very high	90.2	Very high	71 Å²	71	59.6 Å²	59.6	37%	0.372	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	140.2	179.6	-72.2	166.5	0	0	0	112.3	A45 L135 E137	L43-A45 PolarHBondContact O-N 3.45Å; L43-L135 HydrophobicContact CD1-CD2 4.29Å; L43-L135 WeakPolarHBondContact CG-O 3.49Å; L43-L135 PolarHBondContact N-O 3.14Å; L43-E137 HydrophobicContact CD2-CB 3.99Å; L43-E137 HydrophobicContact CD2-CG 4.46Å
44	E	89	Confident	90.2	Very high	131 Å²	131	59.3 Å²	59.3	61%	0.612	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	11	-178.2	-58.7	-55.3	118.1	0	0	116.4
45	A	94.3	Very high	90.4	Very high	4 Å²	4	55.3 Å²	55.3	3%	0.033	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-68.3	140	174.7	0	0	0	0	0	112.3	L28 D30 Y37 I42 L43 Y88	L28-A45 HydrophobicContact CB-CB 4.42Å; L28-A45 HydrophobicContact CD2-CB 4.05Å; L28-A45 HydrophobicContact CG-CB 3.91Å; L28-A45 WeakPolarHBondContact O-CA 3.34Å; D30-A45 HydrophobicContact CB-CB 4.38Å; Y37-A45 WeakPolarHBondContact CE2-O 3.23Å; Y37-A45 PolarHBondContact OH-O 3.09Å; I42-A45 WeakPolarHBondContact O-CB 3.48Å; I42-A45 PolarHBondContact O-N 3.43Å; I42-A45 VanDerWaalsContact O-N 3.15Å; L43-A45 PolarHBondContact O-N 3.45Å; A45-Y88 HydrophobicContact CB-CE1 3.84Å; A45-Y88 VanDerWaalsContact CB-OH 3.24Å; A45-Y88 WeakPolarHBondContact CB-OH 3.33Å
46	I	95.1	Very high	90.6	Very high	14 Å²	14	57.9 Å²	57.9	7%	0.072	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.1	177.4	-59.4	168.9	0	0	0	109.2	L27 L28 I29 D30 I48 I69 A73 V77	L27-I46 HydrophobicContact CD1-CD1 3.7Å; L28-I46 PolarHBondContact O-N 3.28Å; I29-I46 WeakPolarHBondContact CA-O 3.17Å; D30-I46 PolarHBondContact N-O 3.44Å; I46-I48 PolarHBondContact O-N 3.43Å; I46-I69 HydrophobicContact CD1-CG2 3.89Å; I46-A73 HydrophobicContact CD1-CB 4.01Å; I46-A73 HydrophobicContact CG1-CB 4.3Å; I46-V77 HydrophobicContact CD1-CG2 4.11Å
47	N	94.8	Very high	90.6	Very high	13 Å²	13	60 Å²	60	7%	0.07	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.4	177.1	-173.6	-122.8	0	0	0	112.6	D30 R32 Y37 N49 S72	D30-N47 CarbonylContact O-C 3.51Å; D30-N47 WeakPolarHBondContact O-CA 3.47Å; D30-N47 PolarHBondContact O-ND2 3.01Å; D30-N47 VanDerWaalsContact O-ND2 3.08Å; R32-N47 PolarHBondContact O-ND2 3.26Å; Y37-N47 HydrophobicContact CD1-CB 3.68Å; Y37-N47 HydrophobicContact CD2-CB 3.62Å; Y37-N47 HydrophobicContact CE1-CB 3.87Å; Y37-N47 HydrophobicContact CE2-CB 3.77Å; Y37-N47 HydrophobicContact CG-CB 3.56Å; N47-N49 WeakPolarHBondContact OD1-CB 3.3Å; N47-N49 PolarHBondContact OD1-N 3.31Å; N47-S72 WeakPolarHBondContact O-CB 3.26Å
48	I	93.6	Very high	90.6	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	29%	0.29	C	S	.	.			trans	-106.9	77.7	168	-53.5	-176.6	0	0	0	108	I29 D30 I46 C50 I65 L68 I69 F103 L107	I29-I48 HydrophobicContact CD1-CD1 4.07Å; I29-I48 HydrophobicContact CG1-CD1 4.48Å; I29-I48 HydrophobicContact CG2-CB 4.29Å; I29-I48 HydrophobicContact CG2-CD1 3.7Å; I29-I48 HydrophobicContact CG2-CG1 3.87Å; D30-I48 PolarHBondContact O-N 2.86Å; I46-I48 PolarHBondContact O-N 3.43Å; I48-C50 PolarHBondContact O-N 3.11Å; I48-I65 HydrophobicContact CD1-CD1 4.1Å; I48-L68 HydrophobicContact CG2-CD2 3.53Å; I48-L68 HydrophobicContact CG2-CG 3.94Å; I48-I69 HydrophobicContact CD1-CG1 3.79Å; I48-F103 HydrophobicContact CG2-CZ 4.14Å; I48-F103 WeakPolarHBondContact O-CE1 3.47Å; I48-F103 VanDerWaalsContact O-CZ 3.27Å; I48-F103 WeakPolarHBondContact O-CZ 3.1Å; I48-L107 HydrophobicContact CB-CD2 4.48Å; I48-L107 HydrophobicContact CD1-CD1 4.21Å; I48-L107 HydrophobicContact CG2-CD1 4.21Å
49	N	81.4	Confident	90.7	Very high	65 Å²	65	58.9 Å²	58.9	35%	0.348	29%	0.287	S	S	.	.			trans	-42.9	112.1	-172.2	-178.4	14.1	0	0	0	114.9	F34 N47 S51	F34-N49 HydrophobicContact CB-CB 4.41Å; F34-N49 PolarHBondContact N-OD1 3.3Å; N47-N49 WeakPolarHBondContact OD1-CB 3.3Å; N47-N49 PolarHBondContact OD1-N 3.31Å; N49-S51 PolarHBondContact O-N 3.03Å
50	C	80.1	Confident	91	Very high	54 Å²	54	59.7 Å²	59.7	37%	0.365	29%	0.285	S	S	.	.			trans	-59.8	93.2	173.3	176.8	0	0	0	0	112.1	S31 I48 F103	S31-C50 WeakPolarHBondContact O-CB 3.11Å; I48-C50 PolarHBondContact O-N 3.11Å; C50-F103 HydrophobicContact CB-CB 4.35Å; C50-F103 HydrophobicContact CB-CD1 3.43Å; C50-F103 VanDerWaalsContact CB-CD1 3.43Å; C50-F103 HydrophobicContact CB-CE1 3.83Å; C50-F103 HydrophobicContact CB-CG 3.95Å; C50-F103 WeakPolarHBondContact SG-CB 3.35Å
51	S	86.9	Confident	90.9	Very high	41 Å²	41	63.7 Å²	63.7	29%	0.287	31%	0.305	S	S	.	.			trans	-128	145.6	175.2	70.2	0	0	0	0	111.8	N49 L53 M54 K55	N49-S51 PolarHBondContact O-N 3.03Å; S51-L53 PolarHBondContact O-N 2.7Å; S51-L53 VanDerWaalsContact O-N 3.11Å; S51-M54 PolarHBondContact O-N 3.26Å; S51-M54 VanDerWaalsContact O-N 3.1Å; S51-M54 VanDerWaalsContact OG-CB 3.23Å; S51-M54 WeakPolarHBondContact OG-CB 3.43Å; S51-M54 PolarHBondContact OG-N 3.1Å; S51-M54 VanDerWaalsContact OG-N 3.12Å; S51-K55 WeakPolarHBondContact O-CB 3.33Å; S51-K55 PolarHBondContact O-N 2.82Å
52	K	88.9	Confident	90.7	Very high	189 Å²	189	70 Å²	70	82%	0.822	33%	0.332	S	S	*	.	H	α-helix	trans	-58.6	-24.6	176.7	-63.8	-177.1	-178.6	179.6	0	112.7	R56	K52-R56 WeakPolarHBondContact O-CD 3.26Å; K52-R56 VanDerWaalsContact O-CG 3.24Å; K52-R56 WeakPolarHBondContact O-CG 3.12Å
53	L	89.6	Confident	90.5	Very high	108 Å²	108	71.3 Å²	71.3	57%	0.565	34%	0.34	S	S	*	.	H	α-helix	trans	-77.5	-48	173.9	-177.9	61.6	0	0	0	111.6	S51 R56 R57	S51-L53 PolarHBondContact O-N 2.7Å; S51-L53 VanDerWaalsContact O-N 3.11Å; L53-R56 PolarHBondContact O-N 3.26Å; L53-R57 PolarHBondContact O-N 2.9Å
54	M	89.8	Confident	90.5	Very high	42 Å²	42	72.3 Å²	72.3	21%	0.207	35%	0.345	C	S	.	.	H	α-helix	trans	-64.2	-45.1	-179.8	-168.4	59.4	74.3	0	0	111.4	S51 R56 R57 L58 L68 F103	S51-M54 PolarHBondContact O-N 3.26Å; S51-M54 VanDerWaalsContact O-N 3.1Å; S51-M54 VanDerWaalsContact OG-CB 3.23Å; S51-M54 WeakPolarHBondContact OG-CB 3.43Å; S51-M54 PolarHBondContact OG-N 3.1Å; S51-M54 VanDerWaalsContact OG-N 3.12Å; M54-R56 VanDerWaalsContact C-N 3.29Å; M54-R56 PolarHBondContact O-N 2.9Å; M54-R57 PolarHBondContact O-N 3.09Å; M54-L58 HydrophobicContact CG-CD1 4.16Å; M54-L58 HydrophobicContact CG-CG 4.46Å; M54-L58 PolarHBondContact O-N 2.84Å; M54-L68 HydrophobicContact CE-CD1 3.54Å; M54-L68 HydrophobicContact CE-CD2 4.35Å; M54-L68 HydrophobicContact CG-CD2 3.98Å; M54-L68 HydrophobicContact SD-CD1 3.89Å; M54-L68 HydrophobicContact SD-CD2 3.64Å; M54-L68 HydrophobicContact SD-CG 4.44Å; M54-F103 HydrophobicContact CB-CE2 4.48Å; M54-F103 HydrophobicContact CG-CE2 4.39Å
55	K	91.8	Very high	90.6	Very high	31 Å²	31	66.6 Å²	66.6	14%	0.135	32%	0.318	C	S	.	.	H	α-helix	trans	-49.7	-49.2	172.8	-170.5	-170.2	155.6	-162	0	111.8	S51 R57 L58 Q59 D101 F103 V106	S51-K55 WeakPolarHBondContact O-CB 3.33Å; S51-K55 PolarHBondContact O-N 2.82Å; K55-R57 PolarHBondContact O-N 3.39Å; K55-L58 PolarHBondContact O-N 3.16Å; K55-Q59 VanDerWaalsContact CE-NE2 3.33Å; K55-Q59 WeakPolarHBondContact O-CB 3.24Å; K55-Q59 WeakPolarHBondContact O-CG 3.48Å; K55-Q59 PolarHBondContact O-N 3.21Å; K55-D101 VanDerWaalsContact CE-O 3.3Å; K55-D101 WeakPolarHBondContact CE-O 3.36Å; K55-D101 VanDerWaalsContact CE-OD1 3.27Å; K55-D101 WeakPolarHBondContact CE-OD1 3.35Å; K55-D101 PolarHBondContact NZ-O 3.17Å; K55-D101 IonicContact NZ-OD1 2.73Å; K55-D101 PolarHBondContact NZ-OD1 3.26Å; K55-D101 IonicContact NZ-OD2 3.08Å; K55-D101 PolarHBondContact NZ-OD2 3.43Å; K55-F103 HydrophobicContact CB-CD2 3.84Å; K55-F103 HydrophobicContact CG-CD2 4.23Å; K55-V106 HydrophobicContact CG-CB 4.43Å; K55-V106 HydrophobicContact CG-CG1 4.34Å; K55-V106 HydrophobicContact CG-CG2 4.24Å
56	R	92.2	Very high	90.5	Very high	158 Å²	158	68.7 Å²	68.7	60%	0.596	33%	0.331	S	S	*	.	H	α-helix	trans	-68.6	-29.6	179.6	-72.9	177.3	72.9	-173.5	5.2	113.4	K52 L53 M54 Q60	K52-R56 WeakPolarHBondContact O-CD 3.26Å; K52-R56 VanDerWaalsContact O-CG 3.24Å; K52-R56 WeakPolarHBondContact O-CG 3.12Å; L53-R56 PolarHBondContact O-N 3.26Å; M54-R56 VanDerWaalsContact C-N 3.29Å; M54-R56 PolarHBondContact O-N 2.9Å; R56-Q60 VanDerWaalsContact O-CB 3.3Å; R56-Q60 WeakPolarHBondContact O-CB 3.48Å; R56-Q60 WeakPolarHBondContact O-CG 3.42Å; R56-Q60 PolarHBondContact O-N 3.31Å
57	R	92.1	Very high	90.3	Very high	118 Å²	118	72.7 Å²	72.7	45%	0.445	35%	0.349	S	S	.	.	H	α-helix	trans	-72	-44.5	174.2	-74	-177.7	177.2	-165.6	-1.2	111.5	L53 M54 K55 Q60 D61 K62 V63	L53-R57 PolarHBondContact O-N 2.9Å; M54-R57 PolarHBondContact O-N 3.09Å; K55-R57 PolarHBondContact O-N 3.39Å; R57-Q60 CarbonylContact O-C 3.34Å; R57-Q60 PolarHBondContact O-N 3.17Å; R57-D61 PolarHBondContact O-N 3.45Å; R57-D61 VanDerWaalsContact O-N 3.13Å; R57-K62 HydrophobicContact CB-CB 4.48Å; R57-K62 PolarHBondContact O-N 3.14Å; R57-V63 HydrophobicContact CB-CG2 4.04Å; R57-V63 HydrophobicContact CG-CG2 4.5Å
58	L	91.6	Very high	90.1	Very high	1 Å²	1	72.7 Å²	72.7	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-63.4	-46.5	174.4	-70.5	171.1	0	0	0	111.7	M54 K55 Q60 D61 I65 L68 F103 V106 K110	M54-L58 HydrophobicContact CG-CD1 4.16Å; M54-L58 HydrophobicContact CG-CG 4.46Å; M54-L58 PolarHBondContact O-N 2.84Å; K55-L58 PolarHBondContact O-N 3.16Å; L58-Q60 PolarHBondContact O-N 3.31Å; L58-D61 PolarHBondContact O-N 2.94Å; L58-D61 VanDerWaalsContact O-N 3.16Å; L58-I65 HydrophobicContact CD2-CD1 4.4Å; L58-L68 HydrophobicContact CD1-CD2 4.13Å; L58-L68 HydrophobicContact CD2-CD2 3.97Å; L58-L68 HydrophobicContact CG-CD2 4.32Å; L58-F103 HydrophobicContact CD1-CE2 4.02Å; L58-V106 HydrophobicContact CB-CG1 4.05Å; L58-K110 VanDerWaalsContact O-CE 3.26Å; L58-K110 WeakPolarHBondContact O-CE 3.16Å; L58-K110 PolarHBondContact O-NZ 3.19Å
59	Q	92	Very high	90.1	Very high	80 Å²	80	72.6 Å²	72.6	37%	0.374	35%	0.349	S	S	.	.	H	α-helix	trans	-60.4	-24.1	174.9	-77.8	177.8	-44.1	0	0	113.5	K55 D101 V106	K55-Q59 VanDerWaalsContact CE-NE2 3.33Å; K55-Q59 WeakPolarHBondContact O-CB 3.24Å; K55-Q59 WeakPolarHBondContact O-CG 3.48Å; K55-Q59 PolarHBondContact O-N 3.21Å; Q59-D101 PolarHBondContact NE2-OD1 3.48Å; Q59-D101 VanDerWaalsContact NE2-OD1 3.07Å; Q59-V106 HydrophobicContact CG-CB 4.49Å; Q59-V106 HydrophobicContact CG-CG1 3.77Å; Q59-V106 HydrophobicContact CG-CG2 3.81Å
60	Q	93.1	Very high	90.5	Very high	98 Å²	98	72.5 Å²	72.5	46%	0.458	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	6.8	179.6	-68.2	-178.4	-0.8	0	0	113.6	R56 R57 L58 K62	R56-Q60 VanDerWaalsContact O-CB 3.3Å; R56-Q60 WeakPolarHBondContact O-CB 3.48Å; R56-Q60 WeakPolarHBondContact O-CG 3.42Å; R56-Q60 PolarHBondContact O-N 3.31Å; R57-Q60 CarbonylContact O-C 3.34Å; R57-Q60 PolarHBondContact O-N 3.17Å; L58-Q60 PolarHBondContact O-N 3.31Å; Q60-K62 HydrophobicContact CB-CD 3.99Å; Q60-K62 HydrophobicContact CB-CG 4.05Å; Q60-K62 PolarHBondContact O-N 2.76Å; Q60-K62 VanDerWaalsContact O-N 3.15Å
61	D	91.2	Very high	90.9	Very high	106 Å²	106	78 Å²	78	57%	0.567	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	35.8	-176.8	-68.9	-72.4	0	0	0	113.5	R57 L58 K110	R57-D61 PolarHBondContact O-N 3.45Å; R57-D61 VanDerWaalsContact O-N 3.13Å; L58-D61 PolarHBondContact O-N 2.94Å; L58-D61 VanDerWaalsContact O-N 3.16Å; D61-K110 IonicContact OD1-NZ 2.66Å; D61-K110 PolarHBondContact OD1-NZ 2.9Å; D61-K110 IonicContact OD2-NZ 2.65Å; D61-K110 PolarHBondContact OD2-NZ 2.95Å
62	K	91.5	Very high	91	Very high	144 Å²	144	78.1 Å²	78.1	63%	0.626	37%	0.367	S	S	*	.	S	Bend	trans	-92.3	-1.6	179.4	-74.7	178.2	177.7	169.6	0	114.4	R57 Q60	R57-K62 HydrophobicContact CB-CB 4.48Å; R57-K62 PolarHBondContact O-N 3.14Å; Q60-K62 HydrophobicContact CB-CD 3.99Å; Q60-K62 HydrophobicContact CB-CG 4.05Å; Q60-K62 PolarHBondContact O-N 2.76Å; Q60-K62 VanDerWaalsContact O-N 3.15Å
63	V	90.4	Very high	91	Very high	29 Å²	29	70.1 Å²	70.1	18%	0.176	34%	0.337	C	S	.	.	S	Bend	trans	-150.6	127.3	175.8	174.9	0	0	0	0	105.2	R57 L68	R57-V63 HydrophobicContact CB-CG2 4.04Å; R57-V63 HydrophobicContact CG-CG2 4.5Å; V63-L68 HydrophobicContact CG1-CB 3.92Å
64	L	91.3	Very high	90.5	Very high	92 Å²	92	70.3 Å²	70.3	48%	0.482	33%	0.333	S	S	.	.			trans	-77.7	146.9	175.3	-58.2	176.8	0	0	0	110.1	T66 E67 L68	L64-T66 VanDerWaalsContact C-N 3.3Å; L64-T66 PolarHBondContact O-N 3.07Å; L64-E67 HydrophobicContact CB-CB 4.28Å; L64-E67 HydrophobicContact CB-CG 3.92Å; L64-E67 WeakPolarHBondContact CB-OE2 3.41Å; L64-E67 HydrophobicContact CD1-CG 4.39Å; L64-E67 PolarHBondContact N-OE2 3.31Å; L64-E67 PolarHBondContact O-N 2.83Å; L64-L68 WeakPolarHBondContact O-CB 3.46Å; L64-L68 PolarHBondContact O-N 3.42Å
65	I	92.1	Very high	90.1	Very high	10 Å²	10	75 Å²	75	5%	0.051	35%	0.354	C	S	.	.	H	α-helix	trans	-66	-34.5	-177.4	-172.9	56.7	0	0	0	112.1	I48 L58 L68 I69 L107 K110 L111 S114	I48-I65 HydrophobicContact CD1-CD1 4.1Å; L58-I65 HydrophobicContact CD2-CD1 4.4Å; I65-L68 HydrophobicContact CD1-CD2 4.32Å; I65-L68 PolarHBondContact O-N 2.93Å; I65-I69 HydrophobicContact CG1-CD1 4.13Å; I65-I69 WeakPolarHBondContact O-CD1 3.07Å; I65-I69 VanDerWaalsContact O-CG1 3.25Å; I65-I69 WeakPolarHBondContact O-CG1 3.39Å; I65-I69 PolarHBondContact O-N 3.02Å; I65-L107 HydrophobicContact CD1-CD1 3.55Å; I65-K110 HydrophobicContact CB-CB 4.4Å; I65-L111 HydrophobicContact CD1-CD2 4.12Å; I65-L111 HydrophobicContact CD1-CG 4.45Å; I65-L111 HydrophobicContact CG1-CD2 3.48Å; I65-L111 VanDerWaalsContact CG1-CD2 3.48Å; I65-L111 HydrophobicContact CG1-CG 3.98Å; I65-S114 WeakPolarHBondContact CG2-OG 3.34Å
66	T	91.4	Very high	89.7	Confident	49 Å²	49	82.6 Å²	82.6	30%	0.301	39%	0.387	S	S	.	.	H	α-helix	trans	-66.5	-44.2	175.7	50.8	0	0	0	0	112.3	L64 L68 I69 Q70 I79	L64-T66 VanDerWaalsContact C-N 3.3Å; L64-T66 PolarHBondContact O-N 3.07Å; T66-L68 VanDerWaalsContact C-N 3.31Å; T66-L68 PolarHBondContact O-N 2.88Å; T66-I69 PolarHBondContact O-N 3.4Å; T66-Q70 WeakPolarHBondContact O-CB 3.42Å; T66-Q70 PolarHBondContact O-N 3.05Å; T66-I79 HydrophobicContact CG2-CG2 4.12Å; T66-I79 WeakPolarHBondContact O-CD1 3.22Å
67	E	90.7	Very high	89.2	Confident	97 Å²	97	76.8 Å²	76.8	45%	0.453	37%	0.369	S	S	.	.	H	α-helix	trans	-59.5	-42.2	171.3	-65.7	172.6	151.7	0	0	111.3	L64 Q70 H71	L64-E67 HydrophobicContact CB-CB 4.28Å; L64-E67 HydrophobicContact CB-CG 3.92Å; L64-E67 WeakPolarHBondContact CB-OE2 3.41Å; L64-E67 HydrophobicContact CD1-CG 4.39Å; L64-E67 PolarHBondContact N-OE2 3.31Å; L64-E67 PolarHBondContact O-N 2.83Å; E67-Q70 PolarHBondContact O-N 2.62Å; E67-H71 WeakPolarHBondContact O-CB 3.18Å; E67-H71 PolarHBondContact O-CD2 2.94Å; E67-H71 PolarHBondContact O-N 2.66Å
68	L	91.1	Very high	88.7	Confident	13 Å²	13	76.5 Å²	76.5	7%	0.068	38%	0.376	C	S	.	.	H	α-helix	trans	-66.5	-42	180	-177.7	56.3	0	0	0	112.2	I48 M54 L58 V63 L64 I65 T66 H71 S72	I48-L68 HydrophobicContact CG2-CD2 3.53Å; I48-L68 HydrophobicContact CG2-CG 3.94Å; M54-L68 HydrophobicContact CE-CD1 3.54Å; M54-L68 HydrophobicContact CE-CD2 4.35Å; M54-L68 HydrophobicContact CG-CD2 3.98Å; M54-L68 HydrophobicContact SD-CD1 3.89Å; M54-L68 HydrophobicContact SD-CD2 3.64Å; M54-L68 HydrophobicContact SD-CG 4.44Å; L58-L68 HydrophobicContact CD1-CD2 4.13Å; L58-L68 HydrophobicContact CD2-CD2 3.97Å; L58-L68 HydrophobicContact CG-CD2 4.32Å; V63-L68 HydrophobicContact CG1-CB 3.92Å; L64-L68 WeakPolarHBondContact O-CB 3.46Å; L64-L68 PolarHBondContact O-N 3.42Å; I65-L68 HydrophobicContact CD1-CD2 4.32Å; I65-L68 PolarHBondContact O-N 2.93Å; T66-L68 VanDerWaalsContact C-N 3.31Å; T66-L68 PolarHBondContact O-N 2.88Å; L68-H71 PolarHBondContact O-N 3.04Å; L68-S72 VanDerWaalsContact O-CB 3.3Å; L68-S72 WeakPolarHBondContact O-CB 3.32Å; L68-S72 PolarHBondContact O-N 2.89Å; L68-S72 VanDerWaalsContact O-N 3.08Å; L68-S72 PolarHBondContact O-OG 2.83Å
69	I	92.5	Very high	88.5	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-58.9	-51.3	171.8	-68.6	156.2	0	0	0	109.5	L27 I29 I46 I48 I65 T66 H71 S72 A73 I79 L111 F115	L27-I69 HydrophobicContact CD1-CG2 4.36Å; L27-I69 HydrophobicContact CD2-CD1 4.1Å; L27-I69 HydrophobicContact CD2-CG2 4.36Å; I29-I69 HydrophobicContact CD1-CD1 4.34Å; I29-I69 HydrophobicContact CD1-CG1 4.38Å; I46-I69 HydrophobicContact CD1-CG2 3.89Å; I48-I69 HydrophobicContact CD1-CG1 3.79Å; I65-I69 HydrophobicContact CG1-CD1 4.13Å; I65-I69 WeakPolarHBondContact O-CD1 3.07Å; I65-I69 VanDerWaalsContact O-CG1 3.25Å; I65-I69 WeakPolarHBondContact O-CG1 3.39Å; I65-I69 PolarHBondContact O-N 3.02Å; T66-I69 PolarHBondContact O-N 3.4Å; I69-H71 VanDerWaalsContact C-N 3.33Å; I69-H71 PolarHBondContact O-N 2.81Å; I69-S72 PolarHBondContact O-N 3.23Å; I69-A73 PolarHBondContact O-N 3.02Å; I69-I79 HydrophobicContact CB-CD1 3.93Å; I69-I79 HydrophobicContact CG2-CD1 3.71Å; I69-I79 HydrophobicContact CG2-CG1 4.31Å; I69-L111 HydrophobicContact CD1-CD2 3.94Å; I69-F115 HydrophobicContact CD1-CE2 3.87Å; I69-F115 HydrophobicContact CD1-CZ 3.89Å
70	Q	90.8	Very high	88.1	Confident	63 Å²	63	78 Å²	78	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-66.1	-31.3	-177.8	-176.4	55.5	100.3	0	0	113	T66 E67 S72 H75 V77 I79	T66-Q70 WeakPolarHBondContact O-CB 3.42Å; T66-Q70 PolarHBondContact O-N 3.05Å; E67-Q70 PolarHBondContact O-N 2.62Å; Q70-S72 VanDerWaalsContact C-N 3.35Å; Q70-H75 PolarHBondContact NE2-O 2.83Å; Q70-V77 PolarHBondContact OE1-O 2.95Å; Q70-I79 HydrophobicContact CB-CD1 4.24Å
71	H	88.7	Confident	87.7	Confident	169 Å²	169	76.2 Å²	76.2	78%	0.782	38%	0.384	S	S	*	.	H	α-helix	trans	-76.1	-18.5	172	-89.3	-66.7	0	0	0	114.5	E67 L68 I69	E67-H71 WeakPolarHBondContact O-CB 3.18Å; E67-H71 PolarHBondContact O-CD2 2.94Å; E67-H71 PolarHBondContact O-N 2.66Å; L68-H71 PolarHBondContact O-N 3.04Å; I69-H71 VanDerWaalsContact C-N 3.33Å; I69-H71 PolarHBondContact O-N 2.81Å
72	S	88.5	Confident	87.4	Confident	44 Å²	44	75 Å²	75	31%	0.308	38%	0.384	S	S	.	.	H	α-helix	trans	-100.4	-15	-176.8	-51.1	0	0	0	0	113.4	N47 L68 I69 Q70	N47-S72 WeakPolarHBondContact O-CB 3.26Å; L68-S72 VanDerWaalsContact O-CB 3.3Å; L68-S72 WeakPolarHBondContact O-CB 3.32Å; L68-S72 PolarHBondContact O-N 2.89Å; L68-S72 VanDerWaalsContact O-N 3.08Å; L68-S72 PolarHBondContact O-OG 2.83Å; I69-S72 PolarHBondContact O-N 3.23Å; Q70-S72 VanDerWaalsContact C-N 3.35Å
73	A	87.8	Confident	87.2	Confident	21 Å²	21	68.6 Å²	68.6	17%	0.174	36%	0.356	C	S	.	.	S	Bend	trans	-77	144.8	178.9	0	0	0	0	0	112.9	I46 I69 H75 V77	I46-A73 HydrophobicContact CD1-CB 4.01Å; I46-A73 HydrophobicContact CG1-CB 4.3Å; I69-A73 PolarHBondContact O-N 3.02Å; A73-H75 WeakPolarHBondContact CB-O 3.43Å; A73-H75 PolarHBondContact O-N 2.9Å; A73-V77 HydrophobicContact CB-CG2 3.45Å; A73-V77 VanDerWaalsContact CB-CG2 3.45Å
74	K	79.9	Confident	87.3	Confident	112 Å²	112	69.4 Å²	69.4	49%	0.487	36%	0.357	S	S	.	.	S	Bend	trans	-62	-27	174.1	-63.9	171.4	179.5	172.3	0	112.7	E137	K74-E137 IonicContact NZ-OE1 2.79Å; K74-E137 PolarHBondContact NZ-OE1 2.79Å; K74-E137 IonicContact NZ-OE2 2.64Å; K74-E137 PolarHBondContact NZ-OE2 3.37Å
75	H	81.8	Confident	87.4	Confident	139 Å²	139	65 Å²	65	64%	0.644	33%	0.334	S	S	*	.	S	Bend	trans	-136	172	-174.4	-60.2	-58.9	0	0	0	111.6	Q70 A73 V77	Q70-H75 PolarHBondContact NE2-O 2.83Å; A73-H75 WeakPolarHBondContact CB-O 3.43Å; A73-H75 PolarHBondContact O-N 2.9Å; H75-V77 PolarHBondContact O-N 2.68Å; H75-V77 VanDerWaalsContact O-N 3.17Å
76	K	82.1	Confident	87.5	Confident	192 Å²	192	64.5 Å²	64.5	84%	0.835	33%	0.332	S	S	*	.			trans	-67	114.7	172.8	-168.8	-176.8	179.4	-174.1	0	109
77	V	83.3	Confident	87.8	Confident	35 Å²	35	62.2 Å²	62.2	21%	0.212	32%	0.317	C	S	.	.			trans	-95.3	118.9	177.4	178.9	0	0	0	0	106.9	L27 I46 Q70 A73 H75 I79	L27-V77 HydrophobicContact CD1-CG1 4.07Å; I46-V77 HydrophobicContact CD1-CG2 4.11Å; Q70-V77 PolarHBondContact OE1-O 2.95Å; A73-V77 HydrophobicContact CB-CG2 3.45Å; A73-V77 VanDerWaalsContact CB-CG2 3.45Å; H75-V77 PolarHBondContact O-N 2.68Å; H75-V77 VanDerWaalsContact O-N 3.17Å; V77-I79 HydrophobicContact CB-CG1 4.2Å; V77-I79 HydrophobicContact CG1-CG1 3.78Å; V77-I79 PolarHBondContact O-N 3.02Å; V77-I79 VanDerWaalsContact O-N 3.11Å
78	D	81.8	Confident	88	Confident	112 Å²	112	57.6 Å²	57.6	60%	0.599	30%	0.296	S	S	*	.			trans	-73.1	97.8	168.6	173.6	52.7	0	0	0	108.2	K25 Q83	K25-D78 PolarHBondContact NZ-O 2.9Å; K25-D78 IonicContact NZ-OD2 2.69Å; K25-D78 PolarHBondContact NZ-OD2 3.29Å; D78-Q83 PolarHBondContact O-OE1 2.79Å
79	I	85.8	Confident	88.1	Confident	46 Å²	46	58.4 Å²	58.4	24%	0.236	30%	0.3	C	S	.	.			trans	-89.1	117.4	-173.9	-63.1	172.1	0	0	0	109.6	T66 I69 Q70 V77 F115	T66-I79 HydrophobicContact CG2-CG2 4.12Å; T66-I79 WeakPolarHBondContact O-CD1 3.22Å; I69-I79 HydrophobicContact CB-CD1 3.93Å; I69-I79 HydrophobicContact CG2-CD1 3.71Å; I69-I79 HydrophobicContact CG2-CG1 4.31Å; Q70-I79 HydrophobicContact CB-CD1 4.24Å; V77-I79 HydrophobicContact CB-CG1 4.2Å; V77-I79 HydrophobicContact CG1-CG1 3.78Å; V77-I79 PolarHBondContact O-N 3.02Å; V77-I79 VanDerWaalsContact O-N 3.11Å; I79-F115 HydrophobicContact CG2-CE1 3.66Å; I79-F115 HydrophobicContact CG2-CZ 3.52Å
80	D	84.6	Confident	88.2	Confident	68 Å²	68	61.9 Å²	61.9	36%	0.364	32%	0.317	S	S	.	.			trans	-124.3	142.5	173.9	176.8	24.6	0	0	0	111.4	S82 Q83 F115	D80-S82 PolarHBondContact O-N 2.92Å; D80-S82 PolarHBondContact OD1-N 3.18Å; D80-S82 VanDerWaalsContact OD2-CB 3.26Å; D80-S82 WeakPolarHBondContact OD2-CB 3.4Å; D80-S82 PolarHBondContact OD2-OG 3.1Å; D80-Q83 HydrophobicContact CB-CG 4.33Å; D80-Q83 VanDerWaalsContact O-CB 3.31Å; D80-Q83 WeakPolarHBondContact O-CB 3.4Å; D80-Q83 WeakPolarHBondContact O-CG 3.47Å; D80-Q83 PolarHBondContact O-N 2.87Å; D80-Q83 VanDerWaalsContact O-N 3.08Å; D80-F115 WeakPolarHBondContact O-CD1 3.42Å; D80-F115 WeakPolarHBondContact O-CE1 3.4Å
81	C	84.7	Confident	88.4	Confident	59 Å²	59	62.5 Å²	62.5	40%	0.399	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.1	177.3	67.3	0	0	0	0	113.8	Q83 S114 N116	C81-Q83 VanDerWaalsContact C-N 3.27Å; C81-S114 WeakPolarHBondContact CB-O 3.47Å; C81-N116 WeakPolarHBondContact O-CB 3.32Å; C81-N116 PolarHBondContact O-N 2.79Å; C81-N116 PolarHBondContact O-ND2 3.03Å; C81-N116 VanDerWaalsContact O-ND2 3.13Å
82	S	84.7	Confident	88.6	Confident	81 Å²	81	55.4 Å²	55.4	57%	0.566	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.5	172.6	81.7	0	0	0	0	113.8	D80	D80-S82 PolarHBondContact O-N 2.92Å; D80-S82 PolarHBondContact OD1-N 3.18Å; D80-S82 VanDerWaalsContact OD2-CB 3.26Å; D80-S82 WeakPolarHBondContact OD2-CB 3.4Å; D80-S82 PolarHBondContact OD2-OG 3.1Å
83	Q	87.9	Confident	88.7	Confident	10 Å²	10	57.8 Å²	57.8	5%	0.047	30%	0.303	C	S	.	.	S	Bend	trans	-65.2	142.6	-178.1	-67.7	-173.1	-97.5	0	0	112.6	K25 D78 D80 C81 V85 F115	K25-Q83 HydrophobicContact CB-CG 4.48Å; K25-Q83 HydrophobicContact CD-CG 4.12Å; K25-Q83 PolarHBondContact O-NE2 2.88Å; D78-Q83 PolarHBondContact O-OE1 2.79Å; D80-Q83 HydrophobicContact CB-CG 4.33Å; D80-Q83 VanDerWaalsContact O-CB 3.31Å; D80-Q83 WeakPolarHBondContact O-CB 3.4Å; D80-Q83 WeakPolarHBondContact O-CG 3.47Å; D80-Q83 PolarHBondContact O-N 2.87Å; D80-Q83 VanDerWaalsContact O-N 3.08Å; C81-Q83 VanDerWaalsContact C-N 3.27Å; Q83-V85 PolarHBondContact O-N 3.49Å; Q83-F115 HydrophobicContact CB-CD1 4.42Å
84	K	90.9	Very high	88.7	Confident	45 Å²	45	59.5 Å²	59.5	20%	0.196	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	108.7	169.6	-174.1	160.9	-70.4	150.2	0	109.7	L18 E24 V26 L27 V86 S117	L18-K84 HydrophobicContact CD1-CD 3.69Å; E24-K84 IonicContact OE1-NZ 3.17Å; E24-K84 PolarHBondContact OE1-NZ 3.16Å; E24-K84 WeakPolarHBondContact OE2-CD 3.38Å; E24-K84 WeakPolarHBondContact OE2-CE 3.47Å; E24-K84 IonicContact OE2-NZ 3.59Å; E24-K84 PolarHBondContact OE2-NZ 2.96Å; V26-K84 CarbonylContact C-O 3.6Å; V26-K84 WeakPolarHBondContact CA-O 3.3Å; L27-K84 PolarHBondContact N-O 3.25Å; K84-V86 HydrophobicContact CG-CG2 4.5Å; K84-S117 WeakPolarHBondContact CE-OG 3.45Å; K84-S117 WeakPolarHBondContact CG-OG 3.45Å
85	V	94.2	Very high	89.1	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.4	176.1	-170.9	0	0	0	0	109.7	L27 I29 Q83 V87 L111 F115 S117 V118 H119	L27-V85 HydrophobicContact CB-CG2 4.28Å; L27-V85 HydrophobicContact CD2-CG1 4.49Å; L27-V85 HydrophobicContact CD2-CG2 4.12Å; L27-V85 WeakPolarHBondContact O-CA 3.11Å; I29-V85 HydrophobicContact CD1-CG1 3.6Å; I29-V85 HydrophobicContact CG1-CG1 4.24Å; Q83-V85 PolarHBondContact O-N 3.49Å; V85-V87 HydrophobicContact CG1-CG2 4.17Å; V85-L111 HydrophobicContact CG1-CD1 4.21Å; V85-L111 HydrophobicContact CG1-CD2 4.34Å; V85-F115 HydrophobicContact CG2-CB 3.66Å; V85-F115 HydrophobicContact CG2-CD1 3.45Å; V85-F115 VanDerWaalsContact CG2-CD1 3.45Å; V85-F115 HydrophobicContact CG2-CD2 3.71Å; V85-F115 HydrophobicContact CG2-CE1 3.93Å; V85-F115 HydrophobicContact CG2-CE2 4.17Å; V85-F115 HydrophobicContact CG2-CG 3.32Å; V85-F115 HydrophobicContact CG2-CZ 4.25Å; V85-S117 PolarHBondContact N-O 2.89Å; V85-V118 HydrophobicContact CB-CG2 4.26Å; V85-V118 HydrophobicContact CG2-CG2 4.48Å; V85-V118 WeakPolarHBondContact O-CA 3.12Å; V85-H119 PolarHBondContact O-N 3.07Å
86	V	95.3	Very high	89.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.5	171.9	-179	0	0	0	0	108.4	I10 L15 V26 L27 L28 I29 K84 H119 L121	I10-V86 HydrophobicContact CD1-CG2 4.46Å; I10-V86 HydrophobicContact CG2-CG1 3.71Å; I10-V86 HydrophobicContact CG2-CG2 4.28Å; L15-V86 HydrophobicContact CD1-CB 4.37Å; L15-V86 HydrophobicContact CD1-CG1 4.25Å; L15-V86 HydrophobicContact CD1-CG2 4.18Å; L15-V86 HydrophobicContact CD2-CG1 4.24Å; V26-V86 HydrophobicContact CG1-CG2 4.11Å; L27-V86 PolarHBondContact O-N 3.18Å; L28-V86 WeakPolarHBondContact CA-O 3.47Å; L28-V86 HydrophobicContact CD1-CB 3.88Å; L28-V86 HydrophobicContact CD1-CG1 3.95Å; I29-V86 PolarHBondContact N-O 2.83Å; K84-V86 HydrophobicContact CG-CG2 4.5Å; V86-H119 HydrophobicContact CG2-CB 4.36Å; V86-L121 HydrophobicContact CG1-CB 4.16Å
87	V	96	Very high	89.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	140.8	178.1	-167.9	0	0	0	0	108.8	I29 V85 L104 L107 L108 L111 V118 H119 L120 L121	I29-V87 HydrophobicContact CB-CG1 4.42Å; I29-V87 HydrophobicContact CB-CG2 4.34Å; I29-V87 HydrophobicContact CG2-CG1 4.18Å; I29-V87 WeakPolarHBondContact O-CA 3.34Å; V85-V87 HydrophobicContact CG1-CG2 4.17Å; V87-L104 HydrophobicContact CB-CD1 4.44Å; V87-L104 HydrophobicContact CG1-CD1 3.57Å; V87-L107 HydrophobicContact CG1-CD2 3.99Å; V87-L108 HydrophobicContact CB-CD2 4.05Å; V87-L108 HydrophobicContact CG2-CD2 3.84Å; V87-L111 HydrophobicContact CG2-CD1 3.4Å; V87-V118 HydrophobicContact CG2-CG1 4.43Å; V87-H119 PolarHBondContact N-O 3.47Å; V87-L120 WeakPolarHBondContact O-CA 3.3Å; V87-L121 PolarHBondContact O-N 3.46Å
88	Y	95.7	Very high	89.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	155.1	171.7	66.6	-88.9	0	0	0	112.3	L28 I29 D30 S31 I42 A45 L121 F125	L28-Y88 HydrophobicContact CD1-CD1 3.94Å; L28-Y88 HydrophobicContact CD1-CE1 3.99Å; L28-Y88 HydrophobicContact CD2-CE1 4.44Å; L28-Y88 HydrophobicContact CG-CD1 4.42Å; L28-Y88 HydrophobicContact CG-CE1 3.97Å; I29-Y88 WeakPolarHBondContact O-CD1 3.4Å; I29-Y88 PolarHBondContact O-N 2.86Å; D30-Y88 HydrophobicContact CB-CE1 4Å; D30-Y88 HydrophobicContact CB-CE2 3.88Å; D30-Y88 WeakPolarHBondContact OD2-CE2 3.33Å; D30-Y88 PolarHBondContact OD2-OH 2.87Å; S31-Y88 WeakPolarHBondContact CB-O 3.21Å; S31-Y88 PolarHBondContact N-O 3.4Å; S31-Y88 PolarHBondContact OG-O 2.92Å; I42-Y88 HydrophobicContact CB-CE1 4.22Å; I42-Y88 HydrophobicContact CD1-CD1 3.95Å; I42-Y88 HydrophobicContact CD1-CE1 3.72Å; I42-Y88 HydrophobicContact CD1-CE2 4.33Å; I42-Y88 HydrophobicContact CD1-CG 4.33Å; I42-Y88 HydrophobicContact CG1-CE1 3.97Å; I42-Y88 HydrophobicContact CG1-CE2 4.22Å; I42-Y88 PolarHBondContact N-OH 2.84Å; A45-Y88 HydrophobicContact CB-CE1 3.84Å; A45-Y88 VanDerWaalsContact CB-OH 3.24Å; A45-Y88 WeakPolarHBondContact CB-OH 3.33Å; Y88-L121 HydrophobicContact CD1-CD2 4.5Å; Y88-L121 HydrophobicContact CG-CD2 4.23Å; Y88-F125 HydrophobicContact CD2-CB 3.89Å; Y88-F125 HydrophobicContact CE2-CB 3.92Å; Y88-F125 AromaticContact CE2-CD2 3.88Å; Y88-F125 HydrophobicContact CE2-CD2 3.88Å; Y88-F125 HydrophobicContact CE2-CG 4.29Å
89	D	94.1	Very high	90	Very high	31 Å²	31	45.1 Å²	45.1	17%	0.166	28%	0.275	C	S	.	.			trans	-118.1	-154.7	165	75.4	-6.8	0	0	0	109.5	S31 S91 S92 L104 G124 F125	S31-D89 WeakPolarHBondContact OG-CB 3.49Å; D89-S91 PolarHBondContact OD1-N 3.31Å; D89-S92 VanDerWaalsContact OD1-CB 3.29Å; D89-S92 WeakPolarHBondContact OD1-CB 3.44Å; D89-S92 PolarHBondContact OD1-N 2.8Å; D89-S92 PolarHBondContact OD1-OG 3.36Å; D89-S92 WeakPolarHBondContact OD2-CB 3.44Å; D89-S92 PolarHBondContact OD2-OG 2.77Å; D89-L104 HydrophobicContact CB-CD2 4.12Å; D89-G124 WeakPolarHBondContact O-CA 3.22Å; D89-F125 PolarHBondContact O-N 2.82Å
90	Q	94.1	Very high	90	Very high	73 Å²	73	48 Å²	48	34%	0.341	30%	0.299	S	S	.	.	S	Bend	trans	-76	-33.5	-179.2	-173.5	56	27	0	0	114.2	R32 A126	R32-Q90 HydrophobicContact CG-CB 4.37Å; Q90-A126 WeakPolarHBondContact O-CB 3.29Å; Q90-A126 PolarHBondContact O-N 3.36Å
91	S	95	Very high	90	Very high	76 Å²	76	49.2 Å²	49.2	53%	0.531	31%	0.306	S	S	.	.	S	Bend	trans	-166.2	15.4	-170.8	68.8	0	0	0	0	116.9	D89 G123	D89-S91 PolarHBondContact OD1-N 3.31Å; S91-G123 WeakPolarHBondContact CA-O 3.34Å
92	S	92.7	Very high	90.3	Very high	20 Å²	20	48 Å²	48	14%	0.14	30%	0.297	C	S	.	.			trans	-72.2	132.6	-179.4	-71.3	0	0	0	0	111.4	D89 L98 G123	D89-S92 VanDerWaalsContact OD1-CB 3.29Å; D89-S92 WeakPolarHBondContact OD1-CB 3.44Å; D89-S92 PolarHBondContact OD1-N 2.8Å; D89-S92 PolarHBondContact OD1-OG 3.36Å; D89-S92 WeakPolarHBondContact OD2-CB 3.44Å; D89-S92 PolarHBondContact OD2-OG 2.77Å; S92-L98 WeakPolarHBondContact OG-CD2 3.46Å; S92-G123 PolarHBondContact O-N 3.11Å
93	Q	90.1	Very high	90.7	Very high	93 Å²	93	44.8 Å²	44.8	44%	0.435	27%	0.273	S	S	.	.			trans	-91.7	-38.5	179.4	-69.2	-70.3	-5.1	0	0	112.3	Q9 G123 E127	Q9-Q93 PolarHBondContact OE1-O 3.45Å; Q93-G123 VanDerWaalsContact NE2-CA 3.31Å; Q93-E127 PolarHBondContact NE2-OE2 3Å
94	D	88.1	Confident	90.9	Very high	58 Å²	58	44.7 Å²	44.7	31%	0.31	27%	0.273	S	S	.	.			trans	-140.3	143.4	-174.3	-176.2	15.5	0	0	0	112.2	Q9 A96 S97	Q9-D94 VanDerWaalsContact NE2-CB 3.31Å; Q9-D94 PolarHBondContact NE2-OD1 2.54Å; D94-A96 PolarHBondContact O-N 3.37Å; D94-A96 PolarHBondContact OD1-N 3.39Å; D94-A96 WeakPolarHBondContact OD2-CB 3.22Å; D94-S97 WeakPolarHBondContact O-CB 3.48Å; D94-S97 PolarHBondContact O-N 2.91Å; D94-S97 PolarHBondContact O-OG 2.97Å
95	V	87.6	Confident	91	Very high	16 Å²	16	44.5 Å²	44.5	10%	0.097	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-60.4	-35	172.6	-172	0	0	0	0	110.8	I6 S97 L98 L108 L120	I6-V95 HydrophobicContact CG2-CB 3.79Å; I6-V95 HydrophobicContact CG2-CG1 3.49Å; I6-V95 VanDerWaalsContact CG2-CG1 3.49Å; I6-V95 HydrophobicContact CG2-CG2 4.43Å; V95-S97 PolarHBondContact O-N 2.93Å; V95-L98 HydrophobicContact CG1-CD1 4.28Å; V95-L98 WeakPolarHBondContact O-CB 3.27Å; V95-L98 WeakPolarHBondContact O-CG 3.43Å; V95-L98 PolarHBondContact O-N 3.42Å; V95-L98 VanDerWaalsContact O-N 3.15Å; V95-L108 HydrophobicContact CG1-CD1 4.06Å; V95-L108 HydrophobicContact CG2-CD1 4.1Å; V95-L120 HydrophobicContact CG2-CB 3.77Å; V95-L120 HydrophobicContact CG2-CD2 3.75Å; V95-L120 HydrophobicContact CG2-CG 4.41Å
96	A	87.1	Confident	91	Very high	82 Å²	82	45.2 Å²	45.2	68%	0.678	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-71.6	-13.5	176.6	0	0	0	0	0	113.9	D94 L98	D94-A96 PolarHBondContact O-N 3.37Å; D94-A96 PolarHBondContact OD1-N 3.39Å; D94-A96 WeakPolarHBondContact OD2-CB 3.22Å; A96-L98 VanDerWaalsContact C-N 3.32Å
97	S	86	Confident	90.9	Very high	80 Å²	80	45.2 Å²	45.2	56%	0.559	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-82	-11	171.6	76.3	0	0	0	0	113.4	D94 V95	D94-S97 WeakPolarHBondContact O-CB 3.48Å; D94-S97 PolarHBondContact O-N 2.91Å; D94-S97 PolarHBondContact O-OG 2.97Å; V95-S97 PolarHBondContact O-N 2.93Å
98	L	87.3	Confident	90.8	Very high	28 Å²	28	45.4 Å²	45.4	15%	0.147	28%	0.281	C	S	.	.	S	Bend	trans	-80.9	137.2	-176.6	-56.2	178.9	0	0	0	112.1	S92 V95 A96 S100 L104 T105 L108	S92-L98 WeakPolarHBondContact OG-CD2 3.46Å; V95-L98 HydrophobicContact CG1-CD1 4.28Å; V95-L98 WeakPolarHBondContact O-CB 3.27Å; V95-L98 WeakPolarHBondContact O-CG 3.43Å; V95-L98 PolarHBondContact O-N 3.42Å; V95-L98 VanDerWaalsContact O-N 3.15Å; A96-L98 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 3.14Å; L98-L104 HydrophobicContact CD1-CB 4.2Å; L98-L104 HydrophobicContact CD1-CD2 3.6Å; L98-L104 HydrophobicContact CD1-CG 3.71Å; L98-L104 HydrophobicContact CD2-CD2 3.91Å; L98-L104 HydrophobicContact CG-CD2 4.43Å; L98-T105 WeakPolarHBondContact CB-OG1 3.43Å; L98-L108 HydrophobicContact CD1-CD1 4.18Å
99	S	88.9	Confident	90.6	Very high	81 Å²	81	46.5 Å²	46.5	57%	0.566	29%	0.293	S	S	*	.			trans	-62.5	132.7	166.7	174.3	0	0	0	0	110.5	D101 C102 T105	S99-D101 PolarHBondContact O-N 3.25Å; S99-C102 VanDerWaalsContact O-CB 3.28Å; S99-C102 WeakPolarHBondContact O-CB 3.36Å; S99-C102 PolarHBondContact O-N 2.97Å; S99-T105 PolarHBondContact O-OG1 3.14Å
100	S	85.5	Confident	90.6	Very high	107 Å²	107	46.3 Å²	46.3	75%	0.748	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.8	-176.7	60.6	0	0	0	0	115	L98	L98-S100 PolarHBondContact O-N 3.14Å
101	D	85.1	Confident	90.6	Very high	93 Å²	93	42.9 Å²	42.9	50%	0.497	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	21.4	172.8	-166.4	51	0	0	0	112.5	K55 Q59 S99	K55-D101 VanDerWaalsContact CE-O 3.3Å; K55-D101 WeakPolarHBondContact CE-O 3.36Å; K55-D101 VanDerWaalsContact CE-OD1 3.27Å; K55-D101 WeakPolarHBondContact CE-OD1 3.35Å; K55-D101 PolarHBondContact NZ-O 3.17Å; K55-D101 IonicContact NZ-OD1 2.73Å; K55-D101 PolarHBondContact NZ-OD1 3.26Å; K55-D101 IonicContact NZ-OD2 3.08Å; K55-D101 PolarHBondContact NZ-OD2 3.43Å; Q59-D101 PolarHBondContact NE2-OD1 3.48Å; Q59-D101 VanDerWaalsContact NE2-OD1 3.07Å; S99-D101 PolarHBondContact O-N 3.25Å
102	C	90.1	Very high	90.4	Very high	33 Å²	33	42.9 Å²	42.9	22%	0.223	27%	0.266	C	S	.	.	S	Bend	trans	-75.3	166.2	167.1	96.8	0	0	0	0	110.8	S99 L104 T105 V106	S99-C102 VanDerWaalsContact O-CB 3.28Å; S99-C102 WeakPolarHBondContact O-CB 3.36Å; S99-C102 PolarHBondContact O-N 2.97Å; C102-L104 PolarHBondContact SG-N 2.94Å; C102-L104 VanDerWaalsContact SG-N 3.36Å; C102-T105 PolarHBondContact SG-N 3.46Å; C102-T105 PolarHBondContact SG-OG1 3.29Å; C102-V106 WeakPolarHBondContact O-CG2 3.38Å
103	F	92.7	Very high	90.4	Very high	14 Å²	14	49.8 Å²	49.8	6%	0.061	29%	0.293	C	S	.	.	H	α-helix	trans	-70.7	-39.7	177.7	172.5	-105.7	0	0	0	112.6	I48 C50 M54 K55 L58 T105 V106 L107	I48-F103 HydrophobicContact CG2-CZ 4.14Å; I48-F103 WeakPolarHBondContact O-CE1 3.47Å; I48-F103 VanDerWaalsContact O-CZ 3.27Å; I48-F103 WeakPolarHBondContact O-CZ 3.1Å; C50-F103 HydrophobicContact CB-CB 4.35Å; C50-F103 HydrophobicContact CB-CD1 3.43Å; C50-F103 VanDerWaalsContact CB-CD1 3.43Å; C50-F103 HydrophobicContact CB-CE1 3.83Å; C50-F103 HydrophobicContact CB-CG 3.95Å; C50-F103 WeakPolarHBondContact SG-CB 3.35Å; M54-F103 HydrophobicContact CB-CE2 4.48Å; M54-F103 HydrophobicContact CG-CE2 4.39Å; K55-F103 HydrophobicContact CB-CD2 3.84Å; K55-F103 HydrophobicContact CG-CD2 4.23Å; L58-F103 HydrophobicContact CD1-CE2 4.02Å; F103-T105 PolarHBondContact O-N 2.82Å; F103-V106 WeakPolarHBondContact O-CB 3.48Å; F103-V106 PolarHBondContact O-N 3.14Å; F103-L107 HydrophobicContact CE1-CB 4.5Å; F103-L107 HydrophobicContact CE1-CD2 3.92Å; F103-L107 HydrophobicContact CZ-CD2 4.28Å; F103-L107 WeakPolarHBondContact O-CB 3.44Å; F103-L107 PolarHBondContact O-N 2.94Å
104	L	93.1	Very high	90.3	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-43.2	-177.3	178.2	59.3	0	0	0	112	V87 D89 L98 C102 V106 L107 L108 L120	V87-L104 HydrophobicContact CB-CD1 4.44Å; V87-L104 HydrophobicContact CG1-CD1 3.57Å; D89-L104 HydrophobicContact CB-CD2 4.12Å; L98-L104 HydrophobicContact CD1-CB 4.2Å; L98-L104 HydrophobicContact CD1-CD2 3.6Å; L98-L104 HydrophobicContact CD1-CG 3.71Å; L98-L104 HydrophobicContact CD2-CD2 3.91Å; L98-L104 HydrophobicContact CG-CD2 4.43Å; C102-L104 PolarHBondContact SG-N 2.94Å; C102-L104 VanDerWaalsContact SG-N 3.36Å; L104-V106 VanDerWaalsContact C-N 3.33Å; L104-V106 PolarHBondContact O-N 3.35Å; L104-L107 WeakPolarHBondContact O-CB 3.17Å; L104-L107 PolarHBondContact O-N 3.24Å; L104-L107 VanDerWaalsContact O-N 3.14Å; L104-L108 HydrophobicContact CD1-CD1 4.08Å; L104-L108 HydrophobicContact CD1-CG 4.1Å; L104-L108 HydrophobicContact CG-CD1 3.98Å; L104-L108 HydrophobicContact CG-CG 4.46Å; L104-L108 WeakPolarHBondContact O-CB 3.27Å; L104-L108 WeakPolarHBondContact O-CG 3.44Å; L104-L108 PolarHBondContact O-N 3.42Å; L104-L120 HydrophobicContact CD1-CD1 4.38Å; L104-L120 HydrophobicContact CD2-CD1 3.84Å
105	T	92.8	Very high	90.5	Very high	41 Å²	41	45 Å²	45	25%	0.252	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-37.9	174.3	-51.1	0	0	0	0	112.3	L98 S99 C102 F103 G109	L98-T105 WeakPolarHBondContact CB-OG1 3.43Å; S99-T105 PolarHBondContact O-OG1 3.14Å; C102-T105 PolarHBondContact SG-N 3.46Å; C102-T105 PolarHBondContact SG-OG1 3.29Å; F103-T105 PolarHBondContact O-N 2.82Å; T105-G109 PolarHBondContact O-N 2.63Å; T105-G109 VanDerWaalsContact O-N 3.08Å
106	V	93.1	Very high	90.6	Very high	16 Å²	16	50.7 Å²	50.7	10%	0.097	30%	0.304	C	S	.	.	H	α-helix	trans	-66	-37.9	173.3	168.4	0	0	0	0	111.6	K55 L58 Q59 C102 F103 L104 K110	K55-V106 HydrophobicContact CG-CB 4.43Å; K55-V106 HydrophobicContact CG-CG1 4.34Å; K55-V106 HydrophobicContact CG-CG2 4.24Å; L58-V106 HydrophobicContact CB-CG1 4.05Å; Q59-V106 HydrophobicContact CG-CB 4.49Å; Q59-V106 HydrophobicContact CG-CG1 3.77Å; Q59-V106 HydrophobicContact CG-CG2 3.81Å; C102-V106 WeakPolarHBondContact O-CG2 3.38Å; F103-V106 WeakPolarHBondContact O-CB 3.48Å; F103-V106 PolarHBondContact O-N 3.14Å; L104-V106 VanDerWaalsContact C-N 3.33Å; L104-V106 PolarHBondContact O-N 3.35Å; V106-K110 WeakPolarHBondContact O-CG 3.47Å; V106-K110 PolarHBondContact O-N 2.58Å
107	L	94.1	Very high	90.8	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-70.3	-49.8	179.7	178.9	59.3	0	0	0	111.4	I29 I48 I65 V87 F103 L104 K110 L111	I29-L107 HydrophobicContact CG2-CD2 4.23Å; I48-L107 HydrophobicContact CB-CD2 4.48Å; I48-L107 HydrophobicContact CD1-CD1 4.21Å; I48-L107 HydrophobicContact CG2-CD1 4.21Å; I65-L107 HydrophobicContact CD1-CD1 3.55Å; V87-L107 HydrophobicContact CG1-CD2 3.99Å; F103-L107 HydrophobicContact CE1-CB 4.5Å; F103-L107 HydrophobicContact CE1-CD2 3.92Å; F103-L107 HydrophobicContact CZ-CD2 4.28Å; F103-L107 WeakPolarHBondContact O-CB 3.44Å; F103-L107 PolarHBondContact O-N 2.94Å; L104-L107 WeakPolarHBondContact O-CB 3.17Å; L104-L107 PolarHBondContact O-N 3.24Å; L104-L107 VanDerWaalsContact O-N 3.14Å; L107-K110 PolarHBondContact O-N 3.29Å; L107-K110 VanDerWaalsContact O-N 3.12Å; L107-L111 HydrophobicContact CD1-CD1 4.06Å; L107-L111 HydrophobicContact CD1-CG 4.34Å; L107-L111 HydrophobicContact CG-CD1 3.92Å; L107-L111 WeakPolarHBondContact O-CG 3.23Å; L107-L111 PolarHBondContact O-N 3.46Å
108	L	93.8	Very high	91.1	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-55.2	-54.1	175.4	-71.1	167.1	0	0	0	110.9	V87 V95 L98 L104 K110 L111 E112 V118	V87-L108 HydrophobicContact CB-CD2 4.05Å; V87-L108 HydrophobicContact CG2-CD2 3.84Å; V95-L108 HydrophobicContact CG1-CD1 4.06Å; V95-L108 HydrophobicContact CG2-CD1 4.1Å; L98-L108 HydrophobicContact CD1-CD1 4.18Å; L104-L108 HydrophobicContact CD1-CD1 4.08Å; L104-L108 HydrophobicContact CD1-CG 4.1Å; L104-L108 HydrophobicContact CG-CD1 3.98Å; L104-L108 HydrophobicContact CG-CG 4.46Å; L104-L108 WeakPolarHBondContact O-CB 3.27Å; L104-L108 WeakPolarHBondContact O-CG 3.44Å; L104-L108 PolarHBondContact O-N 3.42Å; L108-K110 PolarHBondContact O-N 3.39Å; L108-L111 PolarHBondContact O-N 3.34Å; L108-E112 WeakPolarHBondContact O-CG 3.39Å; L108-E112 PolarHBondContact O-N 2.81Å; L108-V118 HydrophobicContact CD2-CG1 3.87Å
109	G	92.5	Very high	91.4	Very high	23 Å²	23	44.7 Å²	44.7	24%	0.237	26%	0.256	C	S	.	.	H	α-helix	trans	-68.3	4.6	178.3	0	0	0	0	0	116.1	T105 K113	T105-G109 PolarHBondContact O-N 2.63Å; T105-G109 VanDerWaalsContact O-N 3.08Å; G109-K113 VanDerWaalsContact O-CE 3.27Å; G109-K113 WeakPolarHBondContact O-CE 3.33Å
110	K	93.3	Very high	91.7	Very high	28 Å²	28	40.9 Å²	40.9	12%	0.122	23%	0.229	C	C	.	.	H	α-helix	trans	-107.1	-38.9	166.8	-68.4	-80.9	160.8	158.4	0	111.1	L58 D61 I65 V106 L107 L108 K113	L58-K110 VanDerWaalsContact O-CE 3.26Å; L58-K110 WeakPolarHBondContact O-CE 3.16Å; L58-K110 PolarHBondContact O-NZ 3.19Å; D61-K110 IonicContact OD1-NZ 2.66Å; D61-K110 PolarHBondContact OD1-NZ 2.9Å; D61-K110 IonicContact OD2-NZ 2.65Å; D61-K110 PolarHBondContact OD2-NZ 2.95Å; I65-K110 HydrophobicContact CB-CB 4.4Å; V106-K110 WeakPolarHBondContact O-CG 3.47Å; V106-K110 PolarHBondContact O-N 2.58Å; L107-K110 PolarHBondContact O-N 3.29Å; L107-K110 VanDerWaalsContact O-N 3.12Å; L108-K110 PolarHBondContact O-N 3.39Å; K110-K113 PolarHBondContact O-N 3.37Å
111	L	93.1	Very high	92.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-42.5	172.8	-68.1	164.6	0	0	0	111.8	I29 I65 I69 V85 V87 L107 L108 K113 S114 F115 V118	I29-L111 HydrophobicContact CD1-CD1 3.89Å; I29-L111 HydrophobicContact CD1-CD2 3.77Å; I65-L111 HydrophobicContact CD1-CD2 4.12Å; I65-L111 HydrophobicContact CD1-CG 4.45Å; I65-L111 HydrophobicContact CG1-CD2 3.48Å; I65-L111 VanDerWaalsContact CG1-CD2 3.48Å; I65-L111 HydrophobicContact CG1-CG 3.98Å; I69-L111 HydrophobicContact CD1-CD2 3.94Å; V85-L111 HydrophobicContact CG1-CD1 4.21Å; V85-L111 HydrophobicContact CG1-CD2 4.34Å; V87-L111 HydrophobicContact CG2-CD1 3.4Å; L107-L111 HydrophobicContact CD1-CD1 4.06Å; L107-L111 HydrophobicContact CD1-CG 4.34Å; L107-L111 HydrophobicContact CG-CD1 3.92Å; L107-L111 WeakPolarHBondContact O-CG 3.23Å; L107-L111 PolarHBondContact O-N 3.46Å; L108-L111 PolarHBondContact O-N 3.34Å; L111-K113 PolarHBondContact O-N 2.77Å; L111-S114 PolarHBondContact O-N 2.64Å; L111-F115 HydrophobicContact CB-CD2 4.39Å; L111-F115 HydrophobicContact CD2-CD2 3.97Å; L111-F115 HydrophobicContact CD2-CE2 3.72Å; L111-F115 WeakPolarHBondContact O-CD2 3.37Å; L111-F115 PolarHBondContact O-N 2.96Å; L111-V118 HydrophobicContact CB-CG1 3.98Å; L111-V118 HydrophobicContact CB-CG2 4.04Å
112	E	92.4	Very high	92.7	Very high	76 Å²	76	31.7 Å²	31.7	36%	0.355	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-9.4	175.6	-69.9	168.8	160.4	0	0	113.5	G7 L108 V118	G7-E112 PolarHBondContact N-OE1 3.33Å; L108-E112 WeakPolarHBondContact O-CG 3.39Å; L108-E112 PolarHBondContact O-N 2.81Å; E112-V118 HydrophobicContact CG-CB 4.01Å; E112-V118 HydrophobicContact CG-CG1 4.3Å; E112-V118 HydrophobicContact CG-CG2 4.21Å
113	K	91.3	Very high	92.7	Very high	165 Å²	165	30.2 Å²	30.2	72%	0.717	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-1	175	-58.1	-175.7	179.5	-174.5	0	113.9	G109 K110 L111	G109-K113 VanDerWaalsContact O-CE 3.27Å; G109-K113 WeakPolarHBondContact O-CE 3.33Å; K110-K113 PolarHBondContact O-N 3.37Å; L111-K113 PolarHBondContact O-N 2.77Å
114	S	89.6	Confident	92.9	Very high	44 Å²	44	29.5 Å²	29.5	31%	0.308	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-13.4	-178	-59.4	0	0	0	0	113.4	I65 C81 L111	I65-S114 WeakPolarHBondContact CG2-OG 3.34Å; C81-S114 WeakPolarHBondContact CB-O 3.47Å; L111-S114 PolarHBondContact O-N 2.64Å
115	F	91.2	Very high	93	Very high	7 Å²	7	29.9 Å²	29.9	3%	0.031	16%	0.161	C	C	.	.			trans	-135.7	141.3	-178.4	-60	-87.8	0	0	0	110.8	L27 I69 I79 D80 Q83 V85 L111 S117 V118	L27-F115 HydrophobicContact CD2-CE1 3.89Å; L27-F115 HydrophobicContact CD2-CE2 4.45Å; L27-F115 HydrophobicContact CD2-CZ 3.67Å; I69-F115 HydrophobicContact CD1-CE2 3.87Å; I69-F115 HydrophobicContact CD1-CZ 3.89Å; I79-F115 HydrophobicContact CG2-CE1 3.66Å; I79-F115 HydrophobicContact CG2-CZ 3.52Å; D80-F115 WeakPolarHBondContact O-CD1 3.42Å; D80-F115 WeakPolarHBondContact O-CE1 3.4Å; Q83-F115 HydrophobicContact CB-CD1 4.42Å; V85-F115 HydrophobicContact CG2-CB 3.66Å; V85-F115 HydrophobicContact CG2-CD1 3.45Å; V85-F115 VanDerWaalsContact CG2-CD1 3.45Å; V85-F115 HydrophobicContact CG2-CD2 3.71Å; V85-F115 HydrophobicContact CG2-CE1 3.93Å; V85-F115 HydrophobicContact CG2-CE2 4.17Å; V85-F115 HydrophobicContact CG2-CG 3.32Å; V85-F115 HydrophobicContact CG2-CZ 4.25Å; L111-F115 HydrophobicContact CB-CD2 4.39Å; L111-F115 HydrophobicContact CD2-CD2 3.97Å; L111-F115 HydrophobicContact CD2-CE2 3.72Å; L111-F115 WeakPolarHBondContact O-CD2 3.37Å; L111-F115 PolarHBondContact O-N 2.96Å; F115-S117 VanDerWaalsContact C-N 3.3Å; F115-S117 PolarHBondContact O-N 3.41Å; F115-V118 HydrophobicContact CB-CG2 3.89Å
116	N	89.9	Confident	93.1	Very high	135 Å²	135	29.9 Å²	29.9	72%	0.722	17%	0.165	S	C	*	.	S	Bend	trans	-79.7	-12.2	-177.2	-61.4	-40.5	0	0	0	113.3	C81	C81-N116 WeakPolarHBondContact O-CB 3.32Å; C81-N116 PolarHBondContact O-N 2.79Å; C81-N116 PolarHBondContact O-ND2 3.03Å; C81-N116 VanDerWaalsContact O-ND2 3.13Å
117	S	90.6	Very high	93.1	Very high	27 Å²	27	31.5 Å²	31.5	19%	0.189	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	104.5	-174.4	177.3	0	0	0	0	108.4	K84 V85 F115 H119	K84-S117 WeakPolarHBondContact CE-OG 3.45Å; K84-S117 WeakPolarHBondContact CG-OG 3.45Å; V85-S117 PolarHBondContact N-O 2.89Å; F115-S117 VanDerWaalsContact C-N 3.3Å; F115-S117 PolarHBondContact O-N 3.41Å; S117-H119 PolarHBondContact OG-NE2 2.94Å
118	V	93.6	Very high	93.2	Very high	10 Å²	10	31.5 Å²	31.5	6%	0.061	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.3	179.7	-174.4	0	0	0	0	109.3	V85 V87 L108 L111 E112 F115	V85-V118 HydrophobicContact CB-CG2 4.26Å; V85-V118 HydrophobicContact CG2-CG2 4.48Å; V85-V118 WeakPolarHBondContact O-CA 3.12Å; V87-V118 HydrophobicContact CG2-CG1 4.43Å; L108-V118 HydrophobicContact CD2-CG1 3.87Å; L111-V118 HydrophobicContact CB-CG1 3.98Å; L111-V118 HydrophobicContact CB-CG2 4.04Å; E112-V118 HydrophobicContact CG-CB 4.01Å; E112-V118 HydrophobicContact CG-CG1 4.3Å; E112-V118 HydrophobicContact CG-CG2 4.21Å; F115-V118 HydrophobicContact CB-CG2 3.89Å
119	H	93.8	Very high	93.2	Very high	28 Å²	28	33.1 Å²	33.1	13%	0.13	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.6	-173.6	-58.4	-79.3	0	0	0	111.5	T8 I10 V85 V86 V87 S117	T8-H119 VanDerWaalsContact O-CA 3.29Å; T8-H119 WeakPolarHBondContact O-CA 3.1Å; T8-H119 VanDerWaalsContact O-CB 3.28Å; T8-H119 WeakPolarHBondContact O-CB 3.08Å; T8-H119 PolarHBondContact O-ND1 3.34Å; T8-H119 PolarHBondContact OG1-CE1 2.99Å; T8-H119 PolarHBondContact OG1-ND1 3.05Å; T8-H119 VanDerWaalsContact OG1-ND1 3.13Å; I10-H119 HydrophobicContact CB-CB 4.2Å; I10-H119 HydrophobicContact CG2-CB 3.89Å; V85-H119 PolarHBondContact O-N 3.07Å; V86-H119 HydrophobicContact CG2-CB 4.36Å; V87-H119 PolarHBondContact N-O 3.47Å; S117-H119 PolarHBondContact OG-NE2 2.94Å
120	L	95	Very high	93.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.9	165.1	177.2	62.8	0	0	0	109.2	Q9 I10 V87 V95 L104 A122	Q9-L120 CarbonylContact C-O 3.55Å; Q9-L120 WeakPolarHBondContact CA-O 3.48Å; I10-L120 PolarHBondContact N-O 3.43Å; V87-L120 WeakPolarHBondContact O-CA 3.3Å; V95-L120 HydrophobicContact CG2-CB 3.77Å; V95-L120 HydrophobicContact CG2-CD2 3.75Å; V95-L120 HydrophobicContact CG2-CG 4.41Å; L104-L120 HydrophobicContact CD1-CD1 4.38Å; L104-L120 HydrophobicContact CD2-CD1 3.84Å; L120-A122 PolarHBondContact O-N 2.83Å
121	L	95.9	Very high	93.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-71.2	111	169.7	-178.1	59.9	0	0	0	109.9	I10 T12 L15 I42 V86 V87 Y88 G123 G124 F128	I10-L121 HydrophobicContact CG2-CD1 4.28Å; I10-L121 WeakPolarHBondContact O-CA 3.43Å; T12-L121 HydrophobicContact CG2-CD1 4.12Å; L15-L121 HydrophobicContact CB-CD1 4.18Å; L15-L121 HydrophobicContact CD2-CD1 3.81Å; L15-L121 HydrophobicContact CD2-CD2 3.81Å; L15-L121 HydrophobicContact CD2-CG 4.39Å; I42-L121 HydrophobicContact CD1-CD2 3.69Å; V86-L121 HydrophobicContact CG1-CB 4.16Å; V87-L121 PolarHBondContact O-N 3.46Å; Y88-L121 HydrophobicContact CD1-CD2 4.5Å; Y88-L121 HydrophobicContact CG-CD2 4.23Å; L121-G123 PolarHBondContact O-N 3.37Å; L121-G124 PolarHBondContact O-N 2.91Å; L121-G124 VanDerWaalsContact O-N 3.08Å; L121-F128 HydrophobicContact CD2-CB 4.1Å; L121-F128 HydrophobicContact CD2-CD2 4.16Å; L121-F128 HydrophobicContact CD2-CG 4.4Å
122	A	94.3	Very high	93.1	Very high	7 Å²	7	42.8 Å²	42.8	6%	0.058	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	129.5	176.5	0	0	0	0	0	110.4	I10 L120 G124	I10-A122 PolarHBondContact O-N 2.85Å; L120-A122 PolarHBondContact O-N 2.83Å; A122-G124 PolarHBondContact O-N 3.07Å
123	G	91.9	Very high	92.9	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.021	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-1.4	-177.2	0	0	0	0	0	114.4	S91 S92 Q93 L121 E127	S91-G123 WeakPolarHBondContact CA-O 3.34Å; S92-G123 PolarHBondContact O-N 3.11Å; Q93-G123 VanDerWaalsContact NE2-CA 3.31Å; L121-G123 PolarHBondContact O-N 3.37Å; G123-E127 VanDerWaalsContact O-CB 3.28Å; G123-E127 WeakPolarHBondContact O-CB 3.43Å; G123-E127 PolarHBondContact O-N 3.03Å; G123-E127 VanDerWaalsContact O-N 3.12Å
124	G	95.1	Very high	92.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	53.5	-150.8	175.3	0	0	0	0	0	114.3	D89 L121 A122 A126 F128	D89-G124 WeakPolarHBondContact O-CA 3.22Å; L121-G124 PolarHBondContact O-N 2.91Å; L121-G124 VanDerWaalsContact O-N 3.08Å; A122-G124 PolarHBondContact O-N 3.07Å; G124-A126 PolarHBondContact O-N 3.46Å; G124-F128 PolarHBondContact O-N 3.2Å
125	F	95.9	Very high	92.9	Very high	15 Å²	15	38 Å²	38	7%	0.066	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-34.5	179.5	-174.1	-103.1	0	0	0	113.3	R32 S40 H41 I42 Y88 D89 E127 F128 S129 C136	R32-F125 VanDerWaalsContact NH1-CG 3.35Å; S40-F125 WeakPolarHBondContact O-CZ 3.42Å; H41-F125 VanDerWaalsContact C-CE2 3.48Å; H41-F125 VanDerWaalsContact CA-CE2 3.49Å; I42-F125 HydrophobicContact CG1-CD2 3.97Å; I42-F125 HydrophobicContact CG1-CE2 4.21Å; Y88-F125 HydrophobicContact CD2-CB 3.89Å; Y88-F125 HydrophobicContact CE2-CB 3.92Å; Y88-F125 AromaticContact CE2-CD2 3.88Å; Y88-F125 HydrophobicContact CE2-CD2 3.88Å; Y88-F125 HydrophobicContact CE2-CG 4.29Å; D89-F125 PolarHBondContact O-N 2.82Å; F125-E127 PolarHBondContact O-N 3.02Å; F125-F128 PolarHBondContact O-N 3.24Å; F125-S129 VanDerWaalsContact O-CB 3.31Å; F125-S129 WeakPolarHBondContact O-CB 3.44Å; F125-S129 PolarHBondContact O-N 2.85Å; F125-S129 PolarHBondContact O-OG 3.36Å; F125-C136 HydrophobicContact CE2-CB 4.42Å; F125-C136 HydrophobicContact CZ-CB 4.49Å
126	A	94.2	Very high	92.9	Very high	41 Å²	41	38.3 Å²	38.3	34%	0.339	22%	0.223	S	C	.	.	H	α-helix	trans	-64.9	-39.4	-178.5	0	0	0	0	0	112.7	Q90 G124 R130	Q90-A126 WeakPolarHBondContact O-CB 3.29Å; Q90-A126 PolarHBondContact O-N 3.36Å; G124-A126 PolarHBondContact O-N 3.46Å; A126-R130 VanDerWaalsContact O-CB 3.28Å; A126-R130 WeakPolarHBondContact O-CB 3.5Å; A126-R130 PolarHBondContact O-N 3.2Å
127	E	94.6	Very high	92.6	Very high	51 Å²	51	34.4 Å²	34.4	24%	0.238	20%	0.201	C	C	.	.	H	α-helix	trans	-70.5	-48.8	174.2	-165.5	93.6	-104.1	0	0	110.7	T12 Q93 G123 F125 R130 C131	T12-E127 HydrophobicContact CG2-CB 4.07Å; T12-E127 HydrophobicContact CG2-CG 3.81Å; Q93-E127 PolarHBondContact NE2-OE2 3Å; G123-E127 VanDerWaalsContact O-CB 3.28Å; G123-E127 WeakPolarHBondContact O-CB 3.43Å; G123-E127 PolarHBondContact O-N 3.03Å; G123-E127 VanDerWaalsContact O-N 3.12Å; F125-E127 PolarHBondContact O-N 3.02Å; E127-R130 WeakPolarHBondContact O-CB 3.37Å; E127-R130 PolarHBondContact O-N 3Å; E127-R130 IonicContact OE1-CZ 2.79Å; E127-R130 IonicContact OE1-NE 3.81Å; E127-R130 IonicContact OE1-NH2 2.86Å; E127-R130 PolarHBondContact OE1-NH2 3.29Å; E127-C131 PolarHBondContact O-N 2.97Å; E127-C131 VanDerWaalsContact O-N 3.08Å
128	F	95.4	Very high	91.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-49.4	-176.8	-170.8	-81.8	0	0	0	112.5	T12 L15 V16 L19 I42 L121 G124 F125 R130 C131 F132 L135	T12-F128 HydrophobicContact CG2-CB 3.87Å; T12-F128 HydrophobicContact CG2-CD2 4.07Å; T12-F128 HydrophobicContact CG2-CG 4.42Å; L15-F128 HydrophobicContact CB-CE2 4.41Å; L15-F128 HydrophobicContact CD2-CD2 3.9Å; L15-F128 HydrophobicContact CD2-CE2 3.68Å; L15-F128 HydrophobicContact CG-CE2 4Å; V16-F128 HydrophobicContact CG2-CE2 3.65Å; V16-F128 HydrophobicContact CG2-CZ 3.85Å; L19-F128 HydrophobicContact CD1-CZ 4.48Å; I42-F128 HydrophobicContact CB-CD1 4.47Å; I42-F128 HydrophobicContact CB-CE1 4.25Å; I42-F128 HydrophobicContact CD1-CB 4.05Å; I42-F128 HydrophobicContact CD1-CD1 3.63Å; I42-F128 HydrophobicContact CD1-CD2 3.82Å; I42-F128 HydrophobicContact CD1-CE1 4Å; I42-F128 HydrophobicContact CD1-CE2 4.17Å; I42-F128 HydrophobicContact CD1-CG 3.54Å; I42-F128 HydrophobicContact CD1-CZ 4.25Å; I42-F128 HydrophobicContact CG1-CD1 3.58Å; I42-F128 HydrophobicContact CG1-CE1 3.84Å; I42-F128 HydrophobicContact CG1-CG 4.03Å; I42-F128 HydrophobicContact CG1-CZ 4.47Å; I42-F128 HydrophobicContact CG2-CD1 4.22Å; I42-F128 HydrophobicContact CG2-CE1 3.55Å; I42-F128 HydrophobicContact CG2-CE2 4.46Å; I42-F128 HydrophobicContact CG2-CZ 3.69Å; L121-F128 HydrophobicContact CD2-CB 4.1Å; L121-F128 HydrophobicContact CD2-CD2 4.16Å; L121-F128 HydrophobicContact CD2-CG 4.4Å; G124-F128 PolarHBondContact O-N 3.2Å; F125-F128 PolarHBondContact O-N 3.24Å; F128-R130 PolarHBondContact O-N 3.46Å; F128-C131 PolarHBondContact O-N 3.34Å; F128-F132 HydrophobicContact CD1-CB 4.35Å; F128-F132 HydrophobicContact CD2-CD2 4.45Å; F128-F132 HydrophobicContact CE1-CB 3.97Å; F128-F132 HydrophobicContact CE2-CD2 4.39Å; F128-F132 HydrophobicContact CZ-CB 4.12Å; F128-F132 WeakPolarHBondContact O-CA 3.35Å; F128-F132 PolarHBondContact O-N 3.02Å; F128-L135 HydrophobicContact CE1-CB 3.86Å; F128-L135 HydrophobicContact CZ-CB 3.96Å; F128-L135 HydrophobicContact CZ-CD1 4.34Å
129	S	94	Very high	89.7	Confident	36 Å²	36	42 Å²	42	25%	0.252	24%	0.24	S	C	.	.	H	α-helix	trans	-67.5	-22.8	180	59.2	0	0	0	0	113.3	F125 P133	F125-S129 VanDerWaalsContact O-CB 3.31Å; F125-S129 WeakPolarHBondContact O-CB 3.44Å; F125-S129 PolarHBondContact O-N 2.85Å; F125-S129 PolarHBondContact O-OG 3.36Å; S129-P133 WeakPolarHBondContact O-CB 3.31Å
130	R	91.1	Very high	87.4	Confident	159 Å²	159	44.1 Å²	44.1	60%	0.6	26%	0.258	S	S	*	.	H	α-helix	trans	-74	-42	172.3	-176.3	-168.6	60.6	60.7	-2.4	112.2	A126 E127 F128	A126-R130 VanDerWaalsContact O-CB 3.28Å; A126-R130 WeakPolarHBondContact O-CB 3.5Å; A126-R130 PolarHBondContact O-N 3.2Å; E127-R130 WeakPolarHBondContact O-CB 3.37Å; E127-R130 PolarHBondContact O-N 3Å; E127-R130 IonicContact OE1-CZ 2.79Å; E127-R130 IonicContact OE1-NE 3.81Å; E127-R130 IonicContact OE1-NH2 2.86Å; E127-R130 PolarHBondContact OE1-NH2 3.29Å; F128-R130 PolarHBondContact O-N 3.46Å
131	C	92.3	Very high	84.6	Confident	43 Å²	43	49.7 Å²	49.7	29%	0.291	29%	0.292	S	S	.	.	H	α-helix	trans	-80.5	-39.5	178.7	-72	0	0	0	0	112.9	E127 F128 P133	E127-C131 PolarHBondContact O-N 2.97Å; E127-C131 VanDerWaalsContact O-N 3.08Å; F128-C131 PolarHBondContact O-N 3.34Å; C131-P133 VanDerWaalsContact C-CD 3.46Å
132	F	92.4	Very high	82	Confident	53 Å²	53	58.5 Å²	58.5	23%	0.232	34%	0.339	C	S	.	.			trans	-131.7	56.8	-167.2	-57.4	-74.3	0	0	0	112.7	E13 V16 F128 G134 L135	E13-F132 HydrophobicContact CG-CE2 4.4Å; E13-F132 HydrophobicContact CG-CZ 4.16Å; V16-F132 HydrophobicContact CB-CE1 4.33Å; V16-F132 HydrophobicContact CB-CZ 4.33Å; V16-F132 HydrophobicContact CG1-CD1 4.35Å; V16-F132 HydrophobicContact CG1-CE1 4.19Å; V16-F132 HydrophobicContact CG2-CB 4.25Å; V16-F132 HydrophobicContact CG2-CD1 3.78Å; V16-F132 HydrophobicContact CG2-CD2 3.55Å; V16-F132 HydrophobicContact CG2-CE1 3.95Å; V16-F132 HydrophobicContact CG2-CE2 3.75Å; V16-F132 HydrophobicContact CG2-CG 3.58Å; V16-F132 HydrophobicContact CG2-CZ 3.94Å; F128-F132 HydrophobicContact CD1-CB 4.35Å; F128-F132 HydrophobicContact CD2-CD2 4.45Å; F128-F132 HydrophobicContact CE1-CB 3.97Å; F128-F132 HydrophobicContact CE2-CD2 4.39Å; F128-F132 HydrophobicContact CZ-CB 4.12Å; F128-F132 WeakPolarHBondContact O-CA 3.35Å; F128-F132 PolarHBondContact O-N 3.02Å; F132-G134 PolarHBondContact O-N 2.92Å; F132-G134 VanDerWaalsContact O-N 3.15Å; F132-L135 HydrophobicContact CB-CB 4.37Å; F132-L135 HydrophobicContact CB-CD1 4.27Å; F132-L135 PolarHBondContact O-N 3.48Å
133	P	89	Confident	79	Confident	63 Å²	63	63 Å²	63	41%	0.409	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-61.5	-25.8	-176.9	25.1	-34.9	0	0	0	113.7	S129 C131 L135 C136	S129-P133 WeakPolarHBondContact O-CB 3.31Å; C131-P133 VanDerWaalsContact C-CD 3.46Å; P133-L135 VanDerWaalsContact C-N 3.25Å; P133-L135 PolarHBondContact O-N 2.85Å; P133-C136 PolarHBondContact O-N 3.38Å
134	G	88.1	Confident	76.7	Confident	71 Å²	71	69 Å²	69	73%	0.732	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-73.1	-11.3	175.2	0	0	0	0	0	114.9	F132	F132-G134 PolarHBondContact O-N 2.92Å; F132-G134 VanDerWaalsContact O-N 3.15Å
135	L	91.6	Very high	73.9	Confident	49 Å²	49	74.3 Å²	74.3	26%	0.257	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-103.1	18.8	176.3	-63.6	177.7	0	0	0	112.5	V16 I42 L43 F128 F132 P133	V16-L135 HydrophobicContact CB-CD1 4.28Å; V16-L135 HydrophobicContact CG1-CD1 3.74Å; V16-L135 HydrophobicContact CG2-CD1 3.66Å; I42-L135 WeakPolarHBondContact CG2-O 3.45Å; L43-L135 HydrophobicContact CD1-CD2 4.29Å; L43-L135 WeakPolarHBondContact CG-O 3.49Å; L43-L135 PolarHBondContact N-O 3.14Å; F128-L135 HydrophobicContact CE1-CB 3.86Å; F128-L135 HydrophobicContact CZ-CB 3.96Å; F128-L135 HydrophobicContact CZ-CD1 4.34Å; F132-L135 HydrophobicContact CB-CB 4.37Å; F132-L135 HydrophobicContact CB-CD1 4.27Å; F132-L135 PolarHBondContact O-N 3.48Å; P133-L135 VanDerWaalsContact C-N 3.25Å; P133-L135 PolarHBondContact O-N 2.85Å
136	C	91.9	Very high	70.8	Confident	14 Å²	14	77.6 Å²	77.6	10%	0.095	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.6	177	-61.9	0	0	0	0	111.7	H41 F125 P133	H41-C136 CarbonylContact O-C 3.59Å; H41-C136 VanDerWaalsContact O-C 3.32Å; H41-C136 WeakPolarHBondContact O-CA 3.39Å; H41-C136 WeakPolarHBondContact O-CB 3.49Å; F125-C136 HydrophobicContact CE2-CB 4.42Å; F125-C136 HydrophobicContact CZ-CB 4.49Å; P133-C136 PolarHBondContact O-N 3.38Å
137	E	84.7	Confident	68.5	Low	53 Å²	53	81 Å²	81	25%	0.248	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	147.5	163.9	-157.5	177.4	136.9	0	0	109.9	S40 H41 L43 K74	S40-E137 CarbonylContact C-O 3.32Å; S40-E137 WeakPolarHBondContact CA-O 3.45Å; S40-E137 WeakPolarHBondContact CB-O 3.41Å; S40-E137 PolarHBondContact OG-O 3.36Å; H41-E137 PolarHBondContact N-O 2.9Å; H41-E137 IonicContact NE2-OE1 2.67Å; H41-E137 PolarHBondContact NE2-OE1 2.98Å; H41-E137 PolarHBondContact O-N 2.97Å; H41-E137 VanDerWaalsContact O-O 3.13Å; L43-E137 HydrophobicContact CD2-CB 3.99Å; L43-E137 HydrophobicContact CD2-CG 4.46Å; K74-E137 IonicContact NZ-OE1 2.79Å; K74-E137 PolarHBondContact NZ-OE1 2.79Å; K74-E137 IonicContact NZ-OE2 2.64Å; K74-E137 PolarHBondContact NZ-OE2 3.37Å
138	G	71.6	Confident	66.1	Low	37 Å²	37	83.4 Å²	83.4	38%	0.381	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119.4	179.6	-175.1	0	0	0	0	0	112.6	S140	G138-S140 VanDerWaalsContact C-N 3.25Å; G138-S140 PolarHBondContact O-N 3.3Å
139	K	51.7	Low	63.5	Low	159 Å²	159	91.3 Å²	91.3	69%	0.691	53%	0.531	S	S	*	.	S	Bend	trans	-79.9	65.1	-173.5	-70	-177.4	176.9	174.5	0	112.5	C146	K139-C146 PolarHBondContact NZ-O 3.49Å
140	S	43.9	Very low	61	Low	74 Å²	74	93.8 Å²	93.8	52%	0.517	55%	0.546	S	S	.	.			trans	-109	49.6	172.2	-166.2	0	0	0	0	112.5	G138	G138-S140 VanDerWaalsContact C-N 3.25Å; G138-S140 PolarHBondContact O-N 3.3Å
141	T	37.7	Very low	58.7	Low	116 Å²	116	90 Å²	90	71%	0.712	54%	0.543	S	S	*	.	S	Bend	trans	-120.6	133.9	164.7	-37.9	0	0	0	0	108.1	V143	T141-V143 HydrophobicContact CG2-CG2 4.26Å; T141-V143 PolarHBondContact O-N 2.97Å
142	L	40.9	Very low	56.3	Low	186 Å²	186	94 Å²	94	97%	0.974	56%	0.561	S	S	*	*			trans	-76.6	66.9	-175	-69.2	170.6	0	0	0	112.2
143	V	30.8	Very low	53.8	Low	101 Å²	101	97.1 Å²	97.1	61%	0.612	59%	0.586	S	S	*	*			trans	-119.3	116.1	174.1	-175.7	0	0	0	0	108.9	T141 T145	T141-V143 HydrophobicContact CG2-CG2 4.26Å; T141-V143 PolarHBondContact O-N 2.97Å; V143-T145 PolarHBondContact O-N 3.43Å
144	P	42.8	Very low	51.7	Low	127 Å²	127	98 Å²	98	83%	0.825	59%	0.591	S	S	*	*			trans	-82.4	68.2	-169.5	33.3	-36.9	0	0	0	113.6
145	T	37.8	Very low	49.6	Very low	112 Å²	112	98.5 Å²	98.5	69%	0.687	59%	0.588	S	S	*	*			trans	-155	172.7	171.5	-3.8	0	0	0	0	114.8	V143	V143-T145 PolarHBondContact O-N 3.43Å
146	C	29.6	Very low	48	Very low	85 Å²	85	97.6 Å²	97.6	57%	0.574	58%	0.583	S	S	*	*			trans	70.7	52.3	167.8	-61	0	0	0	0	117.6	K139	K139-C146 PolarHBondContact NZ-O 3.49Å
147	I	46.7	Very low	47	Very low	111 Å²	111	103.3 Å²	103.3	57%	0.569	62%	0.618	S	S	*	*				39.5	87.1	119.4	-46.6	171.4	0	0	0	116.2
148	S	43.1	Very low	47.3	Very low	102 Å²	102	101.1 Å²	101.1	71%	0.713	61%	0.61	S	S	*	*			trans	176.3	30	145.4	54.9	0	0	0	0	114.7
149	Q	40.7	Very low	48.5	Very low	167 Å²	167	100.1 Å²	100.1	78%	0.78	60%	0.596	S	S	*	*			trans	-65.4	137.9	175.9	-78.6	-177.2	-28	0	0	112
150	P	42.4	Very low	50.7	Low	87 Å²	87	93.5 Å²	93.5	57%	0.565	57%	0.569	S	S	*	*			trans	-63.1	151.7	158.9	30.4	-33.7	0	0	0	109.2	L152	P150-L152 PolarHBondContact O-N 3.19Å
151	C	42.5	Very low	53.2	Low	81 Å²	81	97.5 Å²	97.5	55%	0.547	57%	0.573	S	S	.	*			trans	-69.1	98.7	-167.8	-63	0	0	0	0	112.6
152	L	42.8	Very low	56.1	Low	125 Å²	125	92.2 Å²	92.2	65%	0.654	54%	0.54	S	S	*	.			trans	-55.7	135.7	146.2	-74.7	178.8	0	0	0	107.7	P150 V154	P150-L152 PolarHBondContact O-N 3.19Å; L152-V154 PolarHBondContact O-N 2.87Å
153	P	39.3	Very low	58.8	Low	119 Å²	119	84.7 Å²	84.7	77%	0.773	50%	0.501	S	S	*	.			trans	-74.6	76.8	177	31.7	-34.8	0	0	0	109.8	A155	P153-A155 VanDerWaalsContact C-N 3.34Å; P153-A155 PolarHBondContact O-N 2.94Å
154	V	44.8	Very low	61.8	Low	83 Å²	83	84.5 Å²	84.5	50%	0.503	50%	0.502	S	S	.	.			trans	-54	108.6	149.9	176.8	0	0	0	0	105.3	L152 N156 T280	L152-V154 PolarHBondContact O-N 2.87Å; V154-N156 PolarHBondContact O-N 3.37Å; V154-T280 HydrophobicContact CB-CG2 4.48Å
155	A	45.1	Very low	64.3	Low	80 Å²	80	80.8 Å²	80.8	66%	0.661	48%	0.475	S	S	*	.			trans	-67.8	88.6	178.2	0	0	0	0	0	108.2	P153 T157	P153-A155 VanDerWaalsContact C-N 3.34Å; P153-A155 PolarHBondContact O-N 2.94Å; A155-T157 PolarHBondContact O-N 3.31Å; A155-T157 PolarHBondContact O-OG1 3Å
156	N	56.2	Low	67.2	Low	30 Å²	30	75.5 Å²	75.5	16%	0.16	44%	0.443	C	S	.	.			trans	-63.5	93.7	162.7	-71.1	-55.6	0	0	0	106.5	V154 G158 T280	V154-N156 PolarHBondContact O-N 3.37Å; N156-G158 PolarHBondContact O-N 3.16Å; N156-T280 WeakPolarHBondContact ND2-CG2 3.49Å; N156-T280 PolarHBondContact ND2-OG1 3.38Å
157	T	72.8	Confident	70.5	Confident	134 Å²	134	72.3 Å²	72.3	82%	0.822	42%	0.419	S	S	*	.			trans	-74	74.2	-178	-50.1	0	0	0	0	109.2	A155	A155-T157 PolarHBondContact O-N 3.31Å; A155-T157 PolarHBondContact O-OG1 3Å
158	G	90.4	Very high	72.9	Confident	8 Å²	8	67 Å²	67	8%	0.082	39%	0.392	C	S	.	.	S	Bend	trans	99.5	-165.6	-175.7	0	0	0	0	0	114.6	N156	N156-G158 PolarHBondContact O-N 3.16Å
159	P	96.4	Very high	75.5	Confident	15 Å²	15	62.2 Å²	62.2	10%	0.097	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-76.1	138.3	-177.5	32.7	-34.5	0	0	0	111.1	Y167 D173 I185 L241	P159-Y167 HydrophobicContact CB-CD1 4.27Å; P159-Y167 HydrophobicContact CG-CD1 4.2Å; P159-D173 HydrophobicContact CB-CB 4.16Å; P159-D173 HydrophobicContact CG-CB 4.41Å; P159-I185 HydrophobicContact CG-CD1 4.13Å; P159-L241 HydrophobicContact CB-CD1 3.67Å; P159-L241 HydrophobicContact CB-CD2 4.12Å; P159-L241 HydrophobicContact CG-CD2 4.48Å
160	T	97.5	Very high	78.2	Confident	20 Å²	20	54.9 Å²	54.9	12%	0.123	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.1	-179.1	-50.7	0	0	0	0	110.7	I162 Y167 L168 K277 R278	T160-I162 HydrophobicContact CG2-CD1 4.05Å; T160-I162 PolarHBondContact O-N 2.88Å; T160-Y167 CarbonylContact O-C 3.57Å; T160-Y167 VanDerWaalsContact O-CA 3.27Å; T160-Y167 WeakPolarHBondContact O-CA 3.48Å; T160-L168 PolarHBondContact N-O 2.93Å; T160-L168 PolarHBondContact O-N 3.4Å; T160-K277 HydrophobicContact CG2-CB 3.95Å; T160-K277 WeakPolarHBondContact CG2-O 3.44Å; T160-R278 HydrophobicContact CG2-CB 4.04Å; T160-R278 WeakPolarHBondContact OG1-CD 3.31Å; T160-R278 PolarHBondContact OG1-NH1 3.46Å
161	R	97.8	Very high	80.8	Confident	158 Å²	158	53.1 Å²	53.1	60%	0.596	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	116.2	172.4	-167	171.5	69.5	-176.5	-0.8	111.1	L163 Y167	R161-L163 WeakPolarHBondContact CG-O 3.5Å; R161-Y167 HydrophobicContact CB-CD1 3.85Å; R161-Y167 HydrophobicContact CB-CE1 3.53Å; R161-Y167 HydrophobicContact CB-CE2 4.41Å; R161-Y167 HydrophobicContact CB-CG 4.43Å; R161-Y167 WeakPolarHBondContact CD-OH 3.32Å; R161-Y167 HydrophobicContact CG-CD1 4.36Å; R161-Y167 HydrophobicContact CG-CD2 4.36Å; R161-Y167 HydrophobicContact CG-CE1 3.92Å; R161-Y167 HydrophobicContact CG-CE2 3.9Å
162	I	97.8	Very high	83.4	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-45.6	179.3	-56.1	-52.3	0	0	0	110.9	T160 L166 L168 I259 F273 V274 K277	T160-I162 HydrophobicContact CG2-CD1 4.05Å; T160-I162 PolarHBondContact O-N 2.88Å; I162-L166 HydrophobicContact CB-CG 4.46Å; I162-L166 PolarHBondContact N-O 3.25Å; I162-L168 HydrophobicContact CD1-CB 3.95Å; I162-L168 HydrophobicContact CD1-CD2 4.27Å; I162-L168 HydrophobicContact CG1-CB 3.63Å; I162-I259 HydrophobicContact CG2-CD1 4.03Å; I162-I259 HydrophobicContact CG2-CG1 4.24Å; I162-F273 HydrophobicContact CG2-CD1 4.42Å; I162-F273 HydrophobicContact CG2-CE1 3.96Å; I162-V274 HydrophobicContact CD1-CG1 3.98Å; I162-V274 HydrophobicContact CG2-CG2 4.17Å; I162-K277 HydrophobicContact CD1-CB 4.02Å; I162-K277 HydrophobicContact CD1-CD 4.18Å; I162-K277 HydrophobicContact CG2-CD 4.47Å; I162-K277 WeakPolarHBondContact O-CE 3.35Å
163	L	96.3	Very high	85.9	Confident	29 Å²	29	52 Å²	52	15%	0.152	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	168.8	170.4	-67.4	174.2	0	0	0	108.4	R161 N165 L166 Y258 I259 M263 F273	R161-L163 WeakPolarHBondContact CG-O 3.5Å; L163-N165 PolarHBondContact O-N 3.47Å; L163-L166 HydrophobicContact CB-CB 4.16Å; L163-L166 PolarHBondContact N-O 3.47Å; L163-L166 VanDerWaalsContact N-O 3.11Å; L163-L166 PolarHBondContact O-N 3.2Å; L163-Y258 HydrophobicContact CD1-CE1 3.94Å; L163-I259 HydrophobicContact CD1-CD1 3.61Å; L163-I259 HydrophobicContact CD2-CD1 4.43Å; L163-I259 HydrophobicContact CG-CD1 3.93Å; L163-M263 HydrophobicContact CD1-SD 4.44Å; L163-M263 HydrophobicContact CD2-SD 4.13Å; L163-F273 HydrophobicContact CD2-CE1 4.19Å; L163-F273 HydrophobicContact CD2-CZ 3.87Å
164	P	95.1	Very high	88.7	Confident	96 Å²	96	46.4 Å²	46.4	62%	0.623	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-41.5	-174.4	-32.3	37.8	0	0	0	115.1
165	N	94.9	Very high	91.1	Very high	50 Å²	50	46.8 Å²	46.8	27%	0.267	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	17.6	-178.2	-65.5	37.4	0	0	0	113.2	L163 K234 G238 V240	L163-N165 PolarHBondContact O-N 3.47Å; N165-K234 HydrophobicContact CB-CG 4.07Å; N165-G238 WeakPolarHBondContact CB-O 3.2Å; N165-G238 PolarHBondContact ND2-O 2.85Å; N165-V240 PolarHBondContact O-N 3.43Å
166	L	98.4	Very high	93.4	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	120	-177.7	178.8	64.1	0	0	0	111.4	I162 L163 I230 V240 V242 Y258	I162-L166 HydrophobicContact CB-CG 4.46Å; I162-L166 PolarHBondContact N-O 3.25Å; L163-L166 HydrophobicContact CB-CB 4.16Å; L163-L166 PolarHBondContact N-O 3.47Å; L163-L166 VanDerWaalsContact N-O 3.11Å; L163-L166 PolarHBondContact O-N 3.2Å; L166-I230 HydrophobicContact CD1-CD1 4.16Å; L166-I230 HydrophobicContact CD1-CG1 4.44Å; L166-I230 HydrophobicContact CD1-CG2 4.12Å; L166-V240 WeakPolarHBondContact CA-O 3.49Å; L166-V240 HydrophobicContact CD1-CB 4.33Å; L166-V242 HydrophobicContact CD1-CG2 3.61Å; L166-Y258 HydrophobicContact CD2-CD1 3.38Å; L166-Y258 HydrophobicContact CD2-CE1 3.62Å; L166-Y258 HydrophobicContact CD2-CG 4.09Å
167	Y	98.7	Very high	95.3	Very high	18 Å²	18	49.1 Å²	49.1	7%	0.071	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	153.5	178	-70	-111.8	0	0	0	111.2	P159 T160 R161 N183 I185 C239 V240 V242	P159-Y167 HydrophobicContact CB-CD1 4.27Å; P159-Y167 HydrophobicContact CG-CD1 4.2Å; T160-Y167 CarbonylContact O-C 3.57Å; T160-Y167 VanDerWaalsContact O-CA 3.27Å; T160-Y167 WeakPolarHBondContact O-CA 3.48Å; R161-Y167 HydrophobicContact CB-CD1 3.85Å; R161-Y167 HydrophobicContact CB-CE1 3.53Å; R161-Y167 HydrophobicContact CB-CE2 4.41Å; R161-Y167 HydrophobicContact CB-CG 4.43Å; R161-Y167 WeakPolarHBondContact CD-OH 3.32Å; R161-Y167 HydrophobicContact CG-CD1 4.36Å; R161-Y167 HydrophobicContact CG-CD2 4.36Å; R161-Y167 HydrophobicContact CG-CE1 3.92Å; R161-Y167 HydrophobicContact CG-CE2 3.9Å; Y167-N183 HydrophobicContact CE1-CB 3.95Å; Y167-N183 VanDerWaalsContact CE1-OD1 3.26Å; Y167-N183 WeakPolarHBondContact CE1-OD1 3.47Å; Y167-N183 HydrophobicContact CE2-CB 4.5Å; Y167-N183 PolarHBondContact OH-OD1 2.72Å; Y167-I185 HydrophobicContact CD1-CD1 4.45Å; Y167-I185 HydrophobicContact CD2-CD1 4.44Å; Y167-I185 HydrophobicContact CD2-CG1 4.38Å; Y167-I185 HydrophobicContact CG-CD1 4.22Å; Y167-C239 WeakPolarHBondContact CD2-SG 3.46Å; Y167-C239 WeakPolarHBondContact CE2-SG 3.25Å; Y167-V240 PolarHBondContact N-O 2.68Å; Y167-V242 PolarHBondContact O-N 2.88Å
168	L	98.7	Very high	96.4	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.5	178.6	172.4	59.1	0	0	0	110.3	T160 I162 V242 S251 A252 A255 V274 R278 I281	T160-L168 PolarHBondContact N-O 2.93Å; T160-L168 PolarHBondContact O-N 3.4Å; I162-L168 HydrophobicContact CD1-CB 3.95Å; I162-L168 HydrophobicContact CD1-CD2 4.27Å; I162-L168 HydrophobicContact CG1-CB 3.63Å; L168-V242 WeakPolarHBondContact CA-O 3.18Å; L168-S251 VanDerWaalsContact CD1-C 3.49Å; L168-S251 WeakPolarHBondContact CD1-OG 3.17Å; L168-A252 HydrophobicContact CD2-CB 4.13Å; L168-A255 HydrophobicContact CD1-CB 4.44Å; L168-A255 HydrophobicContact CD2-CB 4.24Å; L168-V274 HydrophobicContact CD2-CG1 3.56Å; L168-R278 PolarHBondContact O-NH1 3.36Å; L168-I281 HydrophobicContact CD2-CG2 3.88Å
169	G	97.7	Very high	96.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	-170	-174.4	0	0	0	0	0	115.9	D173 V242 H243 G247	G169-D173 VanDerWaalsContact CA-OD2 3.24Å; G169-D173 WeakPolarHBondContact CA-OD2 3.13Å; G169-V242 PolarHBondContact N-O 2.85Å; G169-H243 VanDerWaalsContact O-CA 3.32Å; G169-H243 WeakPolarHBondContact O-CA 3.17Å; G169-H243 WeakPolarHBondContact O-CB 3.32Å; G169-G247 WeakPolarHBondContact O-CA 3.33Å
170	C	97	Very high	96.6	Very high	14 Å²	14	48.5 Å²	48.5	10%	0.095	23%	0.23	C	C	.	.			trans	-114.8	175.3	179	74.1	0	0	0	0	111.5	R172 D173 C244 L245 A246	C170-R172 VanDerWaalsContact C-N 3.28Å; C170-R172 PolarHBondContact O-N 3.02Å; C170-D173 PolarHBondContact N-OD2 2.8Å; C170-D173 WeakPolarHBondContact O-CB 3.3Å; C170-D173 PolarHBondContact O-N 3.16Å; C170-D173 VanDerWaalsContact O-N 3.14Å; C170-D173 PolarHBondContact SG-OD1 3.36Å; C170-D173 PolarHBondContact SG-OD2 3.36Å; C170-C244 CarbonylContact C-O 3.53Å; C170-C244 VanDerWaalsContact C-O 3.29Å; C170-C244 WeakPolarHBondContact CA-O 3.26Å; C170-L245 WeakPolarHBondContact CB-O 3.35Å; C170-A246 WeakPolarHBondContact CB-O 3.27Å
171	Q	97.3	Very high	96.5	Very high	49 Å²	49	53.7 Å²	53.7	23%	0.229	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-36.8	-179.7	178.8	-179.6	-21.2	0	0	112.6	D173 V174 L175 C195 C244 L245	Q171-D173 PolarHBondContact O-N 3.38Å; Q171-V174 PolarHBondContact O-N 3.3Å; Q171-L175 HydrophobicContact CG-CD1 4.02Å; Q171-L175 WeakPolarHBondContact O-CG 3.27Å; Q171-L175 PolarHBondContact O-N 2.92Å; Q171-C195 HydrophobicContact CB-CB 4.39Å; Q171-C195 HydrophobicContact CG-CB 4.06Å; Q171-C195 PolarHBondContact OE1-SG 3.03Å; Q171-C244 PolarHBondContact N-O 3.33Å; Q171-L245 PolarHBondContact N-O 3.15Å; Q171-L245 VanDerWaalsContact OE1-CD1 3.29Å
172	R	96.2	Very high	96.4	Very high	179 Å²	179	53.4 Å²	53.4	68%	0.675	26%	0.258	S	S	*	.	H	α-helix	trans	-62.1	-32.5	178.8	-175.6	-179.9	63.5	-173.2	-0.3	112.2	C170	C170-R172 VanDerWaalsContact C-N 3.28Å; C170-R172 PolarHBondContact O-N 3.02Å
173	D	96.4	Very high	96.3	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.027	27%	0.269	C	S	.	.	H	α-helix	trans	-70.8	-38.2	-177.9	-53	-30.6	0	0	0	111.1	P159 G169 C170 Q171 L175 N176 L241	P159-D173 HydrophobicContact CB-CB 4.16Å; P159-D173 HydrophobicContact CG-CB 4.41Å; G169-D173 VanDerWaalsContact CA-OD2 3.24Å; G169-D173 WeakPolarHBondContact CA-OD2 3.13Å; C170-D173 PolarHBondContact N-OD2 2.8Å; C170-D173 WeakPolarHBondContact O-CB 3.3Å; C170-D173 PolarHBondContact O-N 3.16Å; C170-D173 VanDerWaalsContact O-N 3.14Å; C170-D173 PolarHBondContact SG-OD1 3.36Å; C170-D173 PolarHBondContact SG-OD2 3.36Å; Q171-D173 PolarHBondContact O-N 3.38Å; D173-L175 VanDerWaalsContact C-N 3.32Å; D173-L175 PolarHBondContact O-N 2.95Å; D173-N176 PolarHBondContact O-N 3.37Å; D173-L241 HydrophobicContact CB-CD2 4.42Å
174	V	96.6	Very high	96.3	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-76.2	-19.4	-179.7	-35.6	0	0	0	0	113.8	Q171 P198 F200 L241 H243	Q171-V174 PolarHBondContact O-N 3.3Å; V174-P198 HydrophobicContact CG2-CG 4.38Å; V174-F200 WeakPolarHBondContact O-CZ 3.45Å; V174-L241 HydrophobicContact CB-CD2 4.46Å; V174-L241 HydrophobicContact CG1-CD2 3.72Å; V174-L241 HydrophobicContact CG1-CG 4.26Å; V174-H243 HydrophobicContact CG1-CB 3.79Å
175	L	94.9	Very high	96.4	Very high	90 Å²	90	52.4 Å²	52.4	47%	0.471	26%	0.259	S	S	.	.	H	α-helix	trans	-86.9	-12.2	177.8	-66.2	175.3	0	0	0	112.5	Q171 D173 K177 P196	Q171-L175 HydrophobicContact CG-CD1 4.02Å; Q171-L175 WeakPolarHBondContact O-CG 3.27Å; Q171-L175 PolarHBondContact O-N 2.92Å; D173-L175 VanDerWaalsContact C-N 3.32Å; D173-L175 PolarHBondContact O-N 2.95Å; L175-K177 PolarHBondContact O-N 3.43Å; L175-P196 HydrophobicContact CD2-CG 4.4Å
176	N	95.3	Very high	96.6	Very high	68 Å²	68	51.3 Å²	51.3	36%	0.364	26%	0.26	S	S	.	.			trans	-88	98.7	174.6	-172.3	-44.4	0	0	0	109.7	D173 E178 L179 M180	D173-N176 PolarHBondContact O-N 3.37Å; N176-E178 VanDerWaalsContact C-N 3.35Å; N176-E178 PolarHBondContact O-N 2.85Å; N176-E178 PolarHBondContact OD1-N 3.02Å; N176-L179 HydrophobicContact CB-CB 3.9Å; N176-L179 HydrophobicContact CB-CD2 4.16Å; N176-L179 VanDerWaalsContact CG-CB 3.43Å; N176-L179 WeakPolarHBondContact OD1-CB 3.44Å; N176-L179 PolarHBondContact OD1-N 3.06Å; N176-M180 WeakPolarHBondContact O-CB 3.39Å; N176-M180 WeakPolarHBondContact O-CG 3.4Å; N176-M180 PolarHBondContact O-N 3.33Å
177	K	95.8	Very high	96.6	Very high	92 Å²	92	52.6 Å²	52.6	40%	0.4	27%	0.265	S	S	.	.	H	α-helix	trans	-63.8	-39.8	-174.5	-177.1	-176.9	175.8	-172.3	0	112.3	L175 M180 Q181 F200	L175-K177 PolarHBondContact O-N 3.43Å; K177-M180 PolarHBondContact O-N 2.85Å; K177-Q181 WeakPolarHBondContact O-CG 3.24Å; K177-Q181 PolarHBondContact O-N 3.25Å; K177-F200 HydrophobicContact CB-CD1 4.1Å; K177-F200 HydrophobicContact CB-CE1 3.7Å; K177-F200 HydrophobicContact CB-CZ 4.02Å; K177-F200 HydrophobicContact CD-CD1 4.18Å; K177-F200 HydrophobicContact CG-CD1 3.9Å; K177-F200 HydrophobicContact CG-CD2 4.43Å; K177-F200 HydrophobicContact CG-CE1 3.98Å; K177-F200 HydrophobicContact CG-CG 4.14Å; K177-F200 HydrophobicContact CG-CZ 4.28Å
178	E	95.4	Very high	96.6	Very high	110 Å²	110	51.7 Å²	51.7	51%	0.514	26%	0.261	S	S	.	.	H	α-helix	trans	-66.6	-46.5	-177.3	-64.8	61.2	-134.1	0	0	110	N176 Q181 Q182	N176-E178 VanDerWaalsContact C-N 3.35Å; N176-E178 PolarHBondContact O-N 2.85Å; N176-E178 PolarHBondContact OD1-N 3.02Å; E178-Q181 PolarHBondContact O-N 2.76Å; E178-Q182 WeakPolarHBondContact O-CB 3.21Å; E178-Q182 WeakPolarHBondContact O-CG 3.27Å; E178-Q182 PolarHBondContact O-N 2.73Å
179	L	94.5	Very high	96.6	Very high	32 Å²	32	51.7 Å²	51.7	17%	0.168	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-38.4	176.2	-175	67.9	0	0	0	112.2	N176 N183	N176-L179 HydrophobicContact CB-CB 3.9Å; N176-L179 HydrophobicContact CB-CD2 4.16Å; N176-L179 VanDerWaalsContact CG-CB 3.43Å; N176-L179 WeakPolarHBondContact OD1-CB 3.44Å; N176-L179 PolarHBondContact OD1-N 3.06Å; L179-N183 PolarHBondContact O-N 2.85Å; L179-N183 PolarHBondContact O-ND2 3.26Å
180	M	96.6	Very high	96.6	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-47.4	173.2	-73.5	-77.8	-71.8	0	0	111.2	N176 K177 N183 G184 I185 V188 F200 I201 L241	N176-M180 WeakPolarHBondContact O-CB 3.39Å; N176-M180 WeakPolarHBondContact O-CG 3.4Å; N176-M180 PolarHBondContact O-N 3.33Å; K177-M180 PolarHBondContact O-N 2.85Å; M180-N183 PolarHBondContact O-N 2.88Å; M180-G184 PolarHBondContact O-N 2.73Å; M180-I185 HydrophobicContact CE-CB 3.97Å; M180-I185 HydrophobicContact CE-CG2 3.45Å; M180-I185 VanDerWaalsContact CE-CG2 3.45Å; M180-I185 PolarHBondContact O-N 2.68Å; M180-I185 HydrophobicContact SD-CB 3.92Å; M180-I185 HydrophobicContact SD-CD1 3.96Å; M180-I185 HydrophobicContact SD-CG2 3.71Å; M180-V188 HydrophobicContact CE-CG2 3.54Å; M180-F200 HydrophobicContact CB-CE2 3.98Å; M180-F200 HydrophobicContact CB-CZ 4.31Å; M180-F200 HydrophobicContact CE-CE2 4.11Å; M180-F200 HydrophobicContact CG-CE2 4.06Å; M180-F200 HydrophobicContact CG-CZ 4.06Å; M180-I201 HydrophobicContact CE-CD1 4.04Å; M180-I201 HydrophobicContact CE-CG1 4.3Å; M180-L241 HydrophobicContact SD-CD2 3.56Å; M180-L241 VanDerWaalsContact SD-CD2 3.56Å
181	Q	95.8	Very high	96.7	Very high	129 Å²	129	51 Å²	51	60%	0.603	26%	0.257	S	S	*	.	H	α-helix	trans	-66.2	-43.8	178	-72.2	-178.7	-11.3	0	0	112.7	K177 E178 N183 G184	K177-Q181 WeakPolarHBondContact O-CG 3.24Å; K177-Q181 PolarHBondContact O-N 3.25Å; E178-Q181 PolarHBondContact O-N 2.76Å; Q181-N183 PolarHBondContact O-N 3.17Å; Q181-G184 PolarHBondContact O-N 3.5Å
182	Q	95.4	Very high	96.7	Very high	152 Å²	152	48.7 Å²	48.7	71%	0.71	25%	0.246	S	C	*	.	H	α-helix	trans	-58.8	-34.1	177.6	-75.7	166.7	6.9	0	0	113.1	E178 G184	E178-Q182 WeakPolarHBondContact O-CB 3.21Å; E178-Q182 WeakPolarHBondContact O-CG 3.27Å; E178-Q182 PolarHBondContact O-N 2.73Å; Q182-G184 VanDerWaalsContact C-N 3.35Å
183	N	95.1	Very high	96.6	Very high	48 Å²	48	43 Å²	43	26%	0.257	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	6.3	177.3	-70	-81.8	0	0	0	113.3	Y167 L179 M180 Q181 I185	Y167-N183 HydrophobicContact CE1-CB 3.95Å; Y167-N183 VanDerWaalsContact CE1-OD1 3.26Å; Y167-N183 WeakPolarHBondContact CE1-OD1 3.47Å; Y167-N183 HydrophobicContact CE2-CB 4.5Å; Y167-N183 PolarHBondContact OH-OD1 2.72Å; L179-N183 PolarHBondContact O-N 2.85Å; L179-N183 PolarHBondContact O-ND2 3.26Å; M180-N183 PolarHBondContact O-N 2.88Å; Q181-N183 PolarHBondContact O-N 3.17Å; N183-I185 HydrophobicContact CB-CD1 3.63Å; N183-I185 HydrophobicContact CB-CG1 3.73Å; N183-I185 PolarHBondContact O-N 2.91Å
184	G	96.4	Very high	96.5	Very high	51 Å²	51	47.8 Å²	47.8	53%	0.526	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	17.8	-179.9	0	0	0	0	0	114.9	M180 Q181 Q182 G186 C239	M180-G184 PolarHBondContact O-N 2.73Å; Q181-G184 PolarHBondContact O-N 3.5Å; Q182-G184 VanDerWaalsContact C-N 3.35Å; G184-G186 PolarHBondContact O-N 3.07Å; G184-C239 WeakPolarHBondContact O-CB 3.4Å
185	I	98.2	Very high	96.4	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.046	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	98.7	-168.5	-57	169.3	0	0	0	110.1	P159 Y167 M180 N183 Y187 L241	P159-I185 HydrophobicContact CG-CD1 4.13Å; Y167-I185 HydrophobicContact CD1-CD1 4.45Å; Y167-I185 HydrophobicContact CD2-CD1 4.44Å; Y167-I185 HydrophobicContact CD2-CG1 4.38Å; Y167-I185 HydrophobicContact CG-CD1 4.22Å; M180-I185 HydrophobicContact CE-CB 3.97Å; M180-I185 HydrophobicContact CE-CG2 3.45Å; M180-I185 VanDerWaalsContact CE-CG2 3.45Å; M180-I185 PolarHBondContact O-N 2.68Å; M180-I185 HydrophobicContact SD-CB 3.92Å; M180-I185 HydrophobicContact SD-CD1 3.96Å; M180-I185 HydrophobicContact SD-CG2 3.71Å; N183-I185 HydrophobicContact CB-CD1 3.63Å; N183-I185 HydrophobicContact CB-CG1 3.73Å; N183-I185 PolarHBondContact O-N 2.91Å; I185-Y187 WeakPolarHBondContact CG2-O 3.41Å; I185-L241 HydrophobicContact CD1-CB 4.24Å; I185-L241 HydrophobicContact CD1-CD2 4.24Å; I185-L241 HydrophobicContact CG2-CB 3.55Å
186	G	97.6	Very high	96.4	Very high	27 Å²	27	46.3 Å²	46.3	28%	0.278	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-6.7	178.8	0	0	0	0	0	115.1	G184 H205 C239	G184-G186 PolarHBondContact O-N 3.07Å; G186-H205 VanDerWaalsContact O-CB 3.31Å; G186-H205 WeakPolarHBondContact O-CB 3.33Å; G186-H205 PolarHBondContact O-ND1 3.36Å; G186-C239 PolarHBondContact N-O 3.14Å; G186-C239 VanDerWaalsContact N-O 3.15Å
187	Y	98.8	Very high	96.4	Very high	28 Å²	28	45.7 Å²	45.7	11%	0.11	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144	-177.6	-70.2	-98.7	0	0	0	111.7	I185 H205 F229 A233 S236 C239 V240 L241	I185-Y187 WeakPolarHBondContact CG2-O 3.41Å; Y187-H205 WeakPolarHBondContact CA-O 3.14Å; Y187-H205 HydrophobicContact CD1-CB 3.51Å; Y187-H205 AromaticContact CD1-CG 3.68Å; Y187-H205 HydrophobicContact CE1-CB 3.74Å; Y187-H205 AromaticContact CE1-CD2 3.44Å; Y187-H205 VanDerWaalsContact CE1-CD2 3.44Å; Y187-H205 WeakPolarHBondContact CE1-CD2 3.25Å; Y187-H205 AromaticContact CE1-CG 3.38Å; Y187-H205 AromaticContact CE1-ND1 3.79Å; Y187-H205 AromaticContact CE1-NE2 3.9Å; Y187-H205 AromaticContact CE2-CE1 3.81Å; Y187-H205 AromaticContact CE2-ND1 3.72Å; Y187-H205 HydrophobicContact CG-CB 4.01Å; Y187-H205 AromaticContact CZ-CD2 3.65Å; Y187-H205 AromaticContact CZ-CE1 3.53Å; Y187-H205 AromaticContact CZ-CG 3.66Å; Y187-H205 AromaticContact CZ-ND1 3.58Å; Y187-H205 AromaticContact CZ-NE2 3.57Å; Y187-H205 PolarHBondContact OH-CE1 3.01Å; Y187-H205 PolarHBondContact OH-NE2 3.33Å; Y187-F229 HydrophobicContact CD1-CE2 4.38Å; Y187-F229 HydrophobicContact CD1-CZ 4.1Å; Y187-A233 HydrophobicContact CD1-CB 3.66Å; Y187-A233 HydrophobicContact CD2-CB 3.71Å; Y187-A233 HydrophobicContact CE1-CB 3.92Å; Y187-A233 HydrophobicContact CE2-CB 3.95Å; Y187-A233 HydrophobicContact CG-CB 3.57Å; Y187-S236 PolarHBondContact OH-OG 2.88Å; Y187-C239 PolarHBondContact N-O 2.83Å; Y187-C239 VanDerWaalsContact N-O 3.09Å; Y187-V240 WeakPolarHBondContact O-CA 3.42Å; Y187-L241 PolarHBondContact O-N 3.39Å
188	V	98.8	Very high	96.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.3	-179.1	175.1	0	0	0	0	111.7	M180 I201 H205 F206 L207 L241	M180-V188 HydrophobicContact CE-CG2 3.54Å; V188-I201 HydrophobicContact CB-CG2 4.48Å; V188-I201 HydrophobicContact CG2-CD1 4.24Å; V188-I201 HydrophobicContact CG2-CG1 3.91Å; V188-I201 HydrophobicContact CG2-CG2 4.41Å; V188-H205 PolarHBondContact N-O 2.78Å; V188-F206 HydrophobicContact CB-CD2 4.08Å; V188-F206 HydrophobicContact CG1-CD2 4.09Å; V188-F206 HydrophobicContact CG1-CE2 4.03Å; V188-F206 WeakPolarHBondContact O-CA 3.45Å; V188-F206 WeakPolarHBondContact O-CD2 3.33Å; V188-L207 PolarHBondContact O-N 2.94Å; V188-L241 WeakPolarHBondContact CA-O 3.46Å
189	L	98.9	Very high	96.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.2	168.7	-163.5	169.5	0	0	0	109.4	L207 V209 F229 I230 L241 V242 H243 I254	L189-L207 CarbonylContact C-O 3.13Å; L189-L207 WeakPolarHBondContact CA-O 3.34Å; L189-L207 HydrophobicContact CD1-CD2 4.07Å; L189-L207 HydrophobicContact CG-CB 4.28Å; L189-L207 HydrophobicContact CG-CD2 4.12Å; L189-L207 HydrophobicContact CG-CG 4.24Å; L189-V209 HydrophobicContact CD2-CB 4.3Å; L189-V209 HydrophobicContact CD2-CG2 3.77Å; L189-F229 HydrophobicContact CB-CD1 4.16Å; L189-F229 HydrophobicContact CB-CE1 3.92Å; L189-F229 HydrophobicContact CD1-CD1 4.03Å; L189-F229 HydrophobicContact CG-CD1 4.33Å; L189-I230 HydrophobicContact CD1-CD1 4.38Å; L189-I230 HydrophobicContact CD1-CG1 4.43Å; L189-L241 PolarHBondContact N-O 3.42Å; L189-V242 HydrophobicContact CB-CG2 4.16Å; L189-V242 HydrophobicContact CD1-CG2 4.44Å; L189-V242 HydrophobicContact CD2-CG1 4.45Å; L189-H243 PolarHBondContact O-CD2 3.05Å; L189-H243 PolarHBondContact O-N 2.67Å; L189-I254 HydrophobicContact CD1-CG2 4.18Å; L189-I254 HydrophobicContact CD2-CD1 3.83Å
190	N	98.8	Very high	96.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	99.3	-175.9	-178.3	-19.1	0	0	0	110.9	S192 C195 P196 F206 L207 R208 V209 H243	N190-S192 VanDerWaalsContact C-N 3.25Å; N190-S192 PolarHBondContact O-N 3.49Å; N190-S192 VanDerWaalsContact O-N 3.09Å; N190-S192 PolarHBondContact OD1-N 2.82Å; N190-S192 PolarHBondContact OD1-OG 2.96Å; N190-C195 PolarHBondContact ND2-O 3.41Å; N190-P196 PolarHBondContact ND2-O 3.45Å; N190-F206 HydrophobicContact CB-CE2 3.57Å; N190-F206 HydrophobicContact CB-CZ 3.65Å; N190-L207 PolarHBondContact N-O 3.39Å; N190-R208 WeakPolarHBondContact O-CA 3.32Å; N190-V209 PolarHBondContact O-N 3.28Å; N190-H243 WeakPolarHBondContact CA-NE2 3.46Å; N190-H243 WeakPolarHBondContact CB-NE2 3.46Å
191	A	98.7	Very high	96.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.254	C	S	.	.			trans	-83.9	63.1	175.6	0	0	0	0	0	111.2	V209 V211 H243 C244 R250 I254	A191-V209 CarbonylContact C-O 3.47Å; A191-V209 WeakPolarHBondContact CA-O 3.37Å; A191-V211 HydrophobicContact CB-CG2 4.41Å; A191-H243 WeakPolarHBondContact CB-O 3.31Å; A191-H243 PolarHBondContact N-O 2.74Å; A191-C244 HydrophobicContact CB-CB 4.27Å; A191-C244 VanDerWaalsContact O-CB 3.22Å; A191-C244 WeakPolarHBondContact O-CB 3.5Å; A191-R250 HydrophobicContact CB-CB 4.05Å; A191-R250 WeakPolarHBondContact O-CD 3.35Å; A191-I254 HydrophobicContact CB-CD1 3.75Å
192	S	97.3	Very high	96.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.245	C	C	.	.			trans	-161.2	162.9	174.4	81.3	0	0	0	0	113.7	N190 C195 V209	N190-S192 VanDerWaalsContact C-N 3.25Å; N190-S192 PolarHBondContact O-N 3.49Å; N190-S192 VanDerWaalsContact O-N 3.09Å; N190-S192 PolarHBondContact OD1-N 2.82Å; N190-S192 PolarHBondContact OD1-OG 2.96Å; S192-C195 VanDerWaalsContact OG-CB 3.24Å; S192-C195 WeakPolarHBondContact OG-CB 3.45Å; S192-C195 PolarHBondContact OG-N 3.3Å; S192-C195 PolarHBondContact OG-SG 2.66Å; S192-V209 PolarHBondContact N-O 2.65Å; S192-V209 VanDerWaalsContact N-O 3.1Å
193	N	94.1	Very high	96.5	Very high	58 Å²	58	41.4 Å²	41.4	31%	0.31	24%	0.238	S	C	.	.	S	Bend	trans	-84.1	-28	169.2	-68.6	-41.3	0	0	0	113.5	R208 P210 N212	N193-R208 PolarHBondContact O-NH1 3.29Å; N193-P210 WeakPolarHBondContact OD1-CA 3.32Å; N193-P210 WeakPolarHBondContact OD1-CB 3.28Å; N193-P210 PolarHBondContact OD1-O 3.06Å; N193-N212 VanDerWaalsContact ND2-CG 3.29Å; N193-N212 PolarHBondContact ND2-ND2 3Å; N193-N212 PolarHBondContact ND2-OD1 3.03Å
194	T	93.3	Very high	96.6	Very high	107 Å²	107	43.6 Å²	43.6	66%	0.656	26%	0.258	S	S	*	.	S	Bend	trans	-111.3	-22.9	-163.6	51.8	0	0	0	0	115.6
195	C	94.5	Very high	96.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-71.9	129.6	179.5	-51.2	0	0	0	0	108.9	Q171 N190 S192 R208	Q171-C195 HydrophobicContact CB-CB 4.39Å; Q171-C195 HydrophobicContact CG-CB 4.06Å; Q171-C195 PolarHBondContact OE1-SG 3.03Å; N190-C195 PolarHBondContact ND2-O 3.41Å; S192-C195 VanDerWaalsContact OG-CB 3.24Å; S192-C195 WeakPolarHBondContact OG-CB 3.45Å; S192-C195 PolarHBondContact OG-N 3.3Å; S192-C195 PolarHBondContact OG-SG 2.66Å; C195-R208 PolarHBondContact O-NH2 3.36Å
196	P	94.7	Very high	96.7	Very high	59 Å²	59	44.4 Å²	44.4	38%	0.383	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-64.7	163.4	177.7	28.3	-35.1	0	0	0	111.8	L175 N190	L175-P196 HydrophobicContact CD2-CG 4.4Å; N190-P196 PolarHBondContact ND2-O 3.45Å
197	K	96.3	Very high	96.8	Very high	55 Å²	55	44 Å²	44	24%	0.239	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-78.3	133.7	160.4	-175.2	-172.4	69.4	64.5	0	107.5	I201 E203 F206	K197-I201 PolarHBondContact NZ-O 3.46Å; K197-E203 WeakPolarHBondContact CD-OE2 3.38Å; K197-E203 WeakPolarHBondContact CE-OE2 3.45Å; K197-F206 HydrophobicContact CB-CD1 4.38Å; K197-F206 HydrophobicContact CB-CD2 4.35Å; K197-F206 HydrophobicContact CB-CE1 4.02Å; K197-F206 HydrophobicContact CB-CE2 3.97Å; K197-F206 HydrophobicContact CB-CZ 3.8Å; K197-F206 HydrophobicContact CD-CB 3.9Å; K197-F206 HydrophobicContact CD-CD1 3.77Å; K197-F206 HydrophobicContact CD-CD2 4.08Å; K197-F206 HydrophobicContact CD-CE1 4.27Å; K197-F206 HydrophobicContact CD-CG 3.66Å; K197-F206 HydrophobicContact CG-CB 4.4Å; K197-F206 HydrophobicContact CG-CD1 4.03Å; K197-F206 HydrophobicContact CG-CD2 3.66Å; K197-F206 HydrophobicContact CG-CE1 4.15Å; K197-F206 HydrophobicContact CG-CE2 3.78Å; K197-F206 HydrophobicContact CG-CG 3.78Å; K197-F206 HydrophobicContact CG-CZ 4.03Å
198	P	95.3	Very high	96.8	Very high	2 Å²	2	47 Å²	47	1%	0.013	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-65.2	143.6	170.3	26.7	-33	0	0	0	111.1	V174 F200 I201	V174-P198 HydrophobicContact CG2-CG 4.38Å; P198-F200 VanDerWaalsContact C-N 3.29Å; P198-F200 HydrophobicContact CB-CD1 4.16Å; P198-F200 HydrophobicContact CB-CE1 3.72Å; P198-F200 HydrophobicContact CB-CE2 4.24Å; P198-F200 HydrophobicContact CB-CZ 3.76Å; P198-F200 HydrophobicContact CG-CZ 4.38Å; P198-F200 PolarHBondContact O-N 2.67Å; P198-I201 HydrophobicContact CG-CB 4.12Å; P198-I201 HydrophobicContact CG-CG1 3.69Å; P198-I201 PolarHBondContact O-N 3.05Å
199	D	95.6	Very high	96.8	Very high	156 Å²	156	47 Å²	47	83%	0.834	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-34.3	-172.6	-51.9	-57.1	0	0	0	112.5	I201	D199-I201 VanDerWaalsContact C-N 3.26Å; D199-I201 PolarHBondContact O-N 3.31Å
200	F	96	Very high	96.7	Very high	75 Å²	75	49.3 Å²	49.3	33%	0.329	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	1.2	-177.8	59.1	-98.4	0	0	0	115	V174 K177 M180 P198	V174-F200 WeakPolarHBondContact O-CZ 3.45Å; K177-F200 HydrophobicContact CB-CD1 4.1Å; K177-F200 HydrophobicContact CB-CE1 3.7Å; K177-F200 HydrophobicContact CB-CZ 4.02Å; K177-F200 HydrophobicContact CD-CD1 4.18Å; K177-F200 HydrophobicContact CG-CD1 3.9Å; K177-F200 HydrophobicContact CG-CD2 4.43Å; K177-F200 HydrophobicContact CG-CE1 3.98Å; K177-F200 HydrophobicContact CG-CG 4.14Å; K177-F200 HydrophobicContact CG-CZ 4.28Å; M180-F200 HydrophobicContact CB-CE2 3.98Å; M180-F200 HydrophobicContact CB-CZ 4.31Å; M180-F200 HydrophobicContact CE-CE2 4.11Å; M180-F200 HydrophobicContact CG-CE2 4.06Å; M180-F200 HydrophobicContact CG-CZ 4.06Å; P198-F200 VanDerWaalsContact C-N 3.29Å; P198-F200 HydrophobicContact CB-CD1 4.16Å; P198-F200 HydrophobicContact CB-CE1 3.72Å; P198-F200 HydrophobicContact CB-CE2 4.24Å; P198-F200 HydrophobicContact CB-CZ 3.76Å; P198-F200 HydrophobicContact CG-CZ 4.38Å; P198-F200 PolarHBondContact O-N 2.67Å
201	I	97.4	Very high	96.6	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	27%	0.265	C	S	.	.	S	Bend	trans	-104.9	123.5	172.4	-63.4	-66.1	0	0	0	108.9	M180 V188 K197 P198 D199 H205 F206	M180-I201 HydrophobicContact CE-CD1 4.04Å; M180-I201 HydrophobicContact CE-CG1 4.3Å; V188-I201 HydrophobicContact CB-CG2 4.48Å; V188-I201 HydrophobicContact CG2-CD1 4.24Å; V188-I201 HydrophobicContact CG2-CG1 3.91Å; V188-I201 HydrophobicContact CG2-CG2 4.41Å; K197-I201 PolarHBondContact NZ-O 3.46Å; P198-I201 HydrophobicContact CG-CB 4.12Å; P198-I201 HydrophobicContact CG-CG1 3.69Å; P198-I201 PolarHBondContact O-N 3.05Å; D199-I201 VanDerWaalsContact C-N 3.26Å; D199-I201 PolarHBondContact O-N 3.31Å; I201-H205 HydrophobicContact CG2-CB 4.21Å; I201-F206 HydrophobicContact CG2-CB 4.45Å
202	P	96.7	Very high	96.4	Very high	64 Å²	64	53.2 Å²	53.2	42%	0.416	29%	0.285	S	S	.	.			trans	-70.8	151.6	177.9	30.5	-34.3	0	0	0	111	S204 H205 F206	P202-S204 PolarHBondContact O-N 2.63Å; P202-H205 HydrophobicContact CG-CB 3.93Å; P202-H205 CarbonylContact O-C 3.58Å; P202-H205 WeakPolarHBondContact O-CA 3.44Å; P202-H205 PolarHBondContact O-N 3.44Å; P202-F206 PolarHBondContact O-N 3.15Å
203	E	95.3	Very high	96.3	Very high	124 Å²	124	56.4 Å²	56.4	58%	0.579	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-61.4	-31.6	-176.3	-159.8	62.6	-154.9	0	0	112.6	K197 H205 F206	K197-E203 WeakPolarHBondContact CD-OE2 3.38Å; K197-E203 WeakPolarHBondContact CE-OE2 3.45Å; E203-H205 PolarHBondContact O-N 2.6Å; E203-H205 VanDerWaalsContact O-N 3.16Å; E203-F206 PolarHBondContact O-N 3.41Å; E203-F206 WeakPolarHBondContact OE1-CD1 3.44Å
204	S	96.9	Very high	96.1	Very high	95 Å²	95	55.2 Å²	55.2	66%	0.664	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-60.6	-20.9	172.9	54.5	0	0	0	0	114.1	P202	P202-S204 PolarHBondContact O-N 2.63Å
205	H	98.2	Very high	95.9	Very high	56 Å²	56	57.3 Å²	57.3	26%	0.259	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-109.2	13.6	178.7	-67	-160.1	0	0	0	112.3	G186 Y187 V188 I201 P202 E203 F229	G186-H205 VanDerWaalsContact O-CB 3.31Å; G186-H205 WeakPolarHBondContact O-CB 3.33Å; G186-H205 PolarHBondContact O-ND1 3.36Å; Y187-H205 WeakPolarHBondContact CA-O 3.14Å; Y187-H205 HydrophobicContact CD1-CB 3.51Å; Y187-H205 AromaticContact CD1-CG 3.68Å; Y187-H205 HydrophobicContact CE1-CB 3.74Å; Y187-H205 AromaticContact CE1-CD2 3.44Å; Y187-H205 VanDerWaalsContact CE1-CD2 3.44Å; Y187-H205 WeakPolarHBondContact CE1-CD2 3.25Å; Y187-H205 AromaticContact CE1-CG 3.38Å; Y187-H205 AromaticContact CE1-ND1 3.79Å; Y187-H205 AromaticContact CE1-NE2 3.9Å; Y187-H205 AromaticContact CE2-CE1 3.81Å; Y187-H205 AromaticContact CE2-ND1 3.72Å; Y187-H205 HydrophobicContact CG-CB 4.01Å; Y187-H205 AromaticContact CZ-CD2 3.65Å; Y187-H205 AromaticContact CZ-CE1 3.53Å; Y187-H205 AromaticContact CZ-CG 3.66Å; Y187-H205 AromaticContact CZ-ND1 3.58Å; Y187-H205 AromaticContact CZ-NE2 3.57Å; Y187-H205 PolarHBondContact OH-CE1 3.01Å; Y187-H205 PolarHBondContact OH-NE2 3.33Å; V188-H205 PolarHBondContact N-O 2.78Å; I201-H205 HydrophobicContact CG2-CB 4.21Å; P202-H205 HydrophobicContact CG-CB 3.93Å; P202-H205 CarbonylContact O-C 3.58Å; P202-H205 WeakPolarHBondContact O-CA 3.44Å; P202-H205 PolarHBondContact O-N 3.44Å; E203-H205 PolarHBondContact O-N 2.6Å; E203-H205 VanDerWaalsContact O-N 3.16Å; H205-F229 WeakPolarHBondContact O-CZ 3.29Å
206	F	98.6	Very high	95.7	Very high	21 Å²	21	62.5 Å²	62.5	9%	0.092	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.7	179.4	-174.9	-115.6	0	0	0	111.5	V188 N190 K197 I201 P202 E203 R208	V188-F206 HydrophobicContact CB-CD2 4.08Å; V188-F206 HydrophobicContact CG1-CD2 4.09Å; V188-F206 HydrophobicContact CG1-CE2 4.03Å; V188-F206 WeakPolarHBondContact O-CA 3.45Å; V188-F206 WeakPolarHBondContact O-CD2 3.33Å; N190-F206 HydrophobicContact CB-CE2 3.57Å; N190-F206 HydrophobicContact CB-CZ 3.65Å; K197-F206 HydrophobicContact CB-CD1 4.38Å; K197-F206 HydrophobicContact CB-CD2 4.35Å; K197-F206 HydrophobicContact CB-CE1 4.02Å; K197-F206 HydrophobicContact CB-CE2 3.97Å; K197-F206 HydrophobicContact CB-CZ 3.8Å; K197-F206 HydrophobicContact CD-CB 3.9Å; K197-F206 HydrophobicContact CD-CD1 3.77Å; K197-F206 HydrophobicContact CD-CD2 4.08Å; K197-F206 HydrophobicContact CD-CE1 4.27Å; K197-F206 HydrophobicContact CD-CG 3.66Å; K197-F206 HydrophobicContact CG-CB 4.4Å; K197-F206 HydrophobicContact CG-CD1 4.03Å; K197-F206 HydrophobicContact CG-CD2 3.66Å; K197-F206 HydrophobicContact CG-CE1 4.15Å; K197-F206 HydrophobicContact CG-CE2 3.78Å; K197-F206 HydrophobicContact CG-CG 3.78Å; K197-F206 HydrophobicContact CG-CZ 4.03Å; I201-F206 HydrophobicContact CG2-CB 4.45Å; P202-F206 PolarHBondContact O-N 3.15Å; E203-F206 PolarHBondContact O-N 3.41Å; E203-F206 WeakPolarHBondContact OE1-CD1 3.44Å; F206-R208 HydrophobicContact CE1-CB 3.94Å; F206-R208 HydrophobicContact CZ-CB 4.23Å
207	L	98.7	Very high	95.7	Very high	17 Å²	17	61.4 Å²	61.4	9%	0.089	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	117.4	166.1	172.6	60.7	0	0	0	109.7	V188 L189 N190 V209 K225 F229	V188-L207 PolarHBondContact O-N 2.94Å; L189-L207 CarbonylContact C-O 3.13Å; L189-L207 WeakPolarHBondContact CA-O 3.34Å; L189-L207 HydrophobicContact CD1-CD2 4.07Å; L189-L207 HydrophobicContact CG-CB 4.28Å; L189-L207 HydrophobicContact CG-CD2 4.12Å; L189-L207 HydrophobicContact CG-CG 4.24Å; N190-L207 PolarHBondContact N-O 3.39Å; L207-V209 HydrophobicContact CD2-CG2 4.43Å; L207-V209 HydrophobicContact CG-CG2 4.32Å; L207-K225 HydrophobicContact CD1-CD 4.43Å; L207-K225 HydrophobicContact CD2-CG 4.44Å; L207-F229 HydrophobicContact CB-CD1 4.15Å; L207-F229 HydrophobicContact CB-CD2 3.61Å; L207-F229 HydrophobicContact CB-CE1 4.16Å; L207-F229 HydrophobicContact CB-CE2 3.63Å; L207-F229 HydrophobicContact CB-CG 3.87Å; L207-F229 HydrophobicContact CB-CZ 3.9Å; L207-F229 HydrophobicContact CD2-CB 3.58Å; L207-F229 HydrophobicContact CD2-CD1 4.27Å; L207-F229 HydrophobicContact CD2-CD2 4.14Å; L207-F229 HydrophobicContact CD2-CG 3.75Å; L207-F229 HydrophobicContact CG-CD2 4.48Å; L207-F229 HydrophobicContact CG-CG 4.46Å
208	R	98.7	Very high	95.8	Very high	91 Å²	91	65.8 Å²	65.8	34%	0.343	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	131.7	164.1	-174.8	171	-72.8	-154.6	-6.3	110.7	N190 N193 C195 F206 P210	N190-R208 WeakPolarHBondContact O-CA 3.32Å; N193-R208 PolarHBondContact O-NH1 3.29Å; C195-R208 PolarHBondContact O-NH2 3.36Å; F206-R208 HydrophobicContact CE1-CB 3.94Å; F206-R208 HydrophobicContact CZ-CB 4.23Å; R208-P210 HydrophobicContact CG-CB 4.4Å
209	V	98.7	Very high	95.9	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.006	34%	0.342	C	S	.	.			trans	-109.9	99.1	163.8	173.9	0	0	0	0	106.4	L189 N190 A191 S192 L207 V211 W222 I254	L189-V209 HydrophobicContact CD2-CB 4.3Å; L189-V209 HydrophobicContact CD2-CG2 3.77Å; N190-V209 PolarHBondContact O-N 3.28Å; A191-V209 CarbonylContact C-O 3.47Å; A191-V209 WeakPolarHBondContact CA-O 3.37Å; S192-V209 PolarHBondContact N-O 2.65Å; S192-V209 VanDerWaalsContact N-O 3.1Å; L207-V209 HydrophobicContact CD2-CG2 4.43Å; L207-V209 HydrophobicContact CG-CG2 4.32Å; V209-V211 VanDerWaalsContact C-N 3.33Å; V209-V211 HydrophobicContact CG1-CG1 3.91Å; V209-V211 HydrophobicContact CG1-CG2 3.97Å; V209-V211 PolarHBondContact O-N 3.29Å; V209-W222 HydrophobicContact CG1-CB 3.58Å; V209-W222 HydrophobicContact CG1-CD2 3.99Å; V209-W222 HydrophobicContact CG1-CE3 4.41Å; V209-W222 HydrophobicContact CG1-CG 3.61Å; V209-W222 HydrophobicContact CG2-CB 4.33Å; V209-W222 HydrophobicContact CG2-CE3 4.34Å; V209-I254 HydrophobicContact CB-CD1 4.31Å; V209-I254 HydrophobicContact CG1-CD1 4.19Å; V209-I254 HydrophobicContact CG2-CD1 4.28Å
210	P	97.9	Very high	96	Very high	48 Å²	48	60.4 Å²	60.4	31%	0.312	31%	0.314	S	S	.	.			trans	-78.5	76.4	-167.4	31.8	-36.1	0	0	0	111.9	N193 R208 W222	N193-P210 WeakPolarHBondContact OD1-CA 3.32Å; N193-P210 WeakPolarHBondContact OD1-CB 3.28Å; N193-P210 PolarHBondContact OD1-O 3.06Å; R208-P210 HydrophobicContact CG-CB 4.4Å; P210-W222 HydrophobicContact CG-CH2 3.87Å; P210-W222 HydrophobicContact CG-CZ2 3.7Å
211	V	96.2	Very high	96.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.326	C	S	.	.			trans	-125.9	141.2	-174.8	-64.6	0	0	0	0	113.8	A191 V209 E217 I219 R250	A191-V211 HydrophobicContact CB-CG2 4.41Å; V209-V211 VanDerWaalsContact C-N 3.33Å; V209-V211 HydrophobicContact CG1-CG1 3.91Å; V209-V211 HydrophobicContact CG1-CG2 3.97Å; V209-V211 PolarHBondContact O-N 3.29Å; V211-E217 HydrophobicContact CB-CG 3.82Å; V211-E217 HydrophobicContact CG1-CG 4.14Å; V211-I219 HydrophobicContact CG1-CG1 4.5Å; V211-I219 HydrophobicContact CG2-CD1 4.16Å; V211-I219 HydrophobicContact CG2-CG1 4.45Å; V211-R250 HydrophobicContact CG2-CB 4.45Å; V211-R250 HydrophobicContact CG2-CG 4.02Å; V211-R250 WeakPolarHBondContact O-CD 3.48Å; V211-R250 PolarHBondContact O-NH1 3.22Å
212	N	94.6	Very high	96.2	Very high	82 Å²	82	64.4 Å²	64.4	44%	0.439	34%	0.338	S	S	.	.			trans	-85.8	167.9	173.3	-56.9	-69.5	0	0	0	111.4	N193 E217 R250 F287	N193-N212 VanDerWaalsContact ND2-CG 3.29Å; N193-N212 PolarHBondContact ND2-ND2 3Å; N193-N212 PolarHBondContact ND2-OD1 3.03Å; N212-E217 WeakPolarHBondContact CB-OE2 3.35Å; N212-E217 PolarHBondContact N-OE2 3.19Å; N212-E217 PolarHBondContact ND2-OE2 3.2Å; N212-R250 WeakPolarHBondContact O-CD 3.4Å; N212-F287 WeakPolarHBondContact O-CZ 3.48Å
213	D	95.2	Very high	96.3	Very high	68 Å²	68	61.4 Å²	61.4	36%	0.364	32%	0.319	S	S	.	.	S	Bend	trans	-100.7	84	173.8	-126	-49.3	0	0	0	109.2	S249 R250 N284	D213-S249 WeakPolarHBondContact OD1-CB 3.48Å; D213-S249 PolarHBondContact OD1-OG 2.91Å; D213-S249 WeakPolarHBondContact OD2-CB 3.48Å; D213-R250 IonicContact OD2-CZ 2.62Å; D213-R250 IonicContact OD2-NE 3.4Å; D213-R250 PolarHBondContact OD2-NE 3.16Å; D213-R250 IonicContact OD2-NH2 3.4Å; D213-R250 PolarHBondContact OD2-NH2 2.87Å; D213-N284 PolarHBondContact OD1-ND2 2.96Å; D213-N284 VanDerWaalsContact OD1-ND2 3.14Å
214	S	89.6	Confident	96.4	Very high	32 Å²	32	57.4 Å²	57.4	22%	0.224	30%	0.301	C	S	.	.	S	Bend	trans	-146.4	164.8	-174.7	82.7	0	0	0	0	113.5	C216 E217 N286	S214-C216 PolarHBondContact O-N 2.79Å; S214-C216 PolarHBondContact OG-N 2.69Å; S214-C216 PolarHBondContact OG-SG 3.3Å; S214-E217 WeakPolarHBondContact OG-CB 3.23Å; S214-E217 PolarHBondContact OG-N 2.59Å; S214-N286 PolarHBondContact O-ND2 2.98Å
215	F	88.3	Confident	96.5	Very high	152 Å²	152	58.1 Å²	58.1	67%	0.667	29%	0.292	S	S	*	.	S	Bend	trans	-76.9	-3.7	178.3	-61.6	-77.7	0	0	0	114.5	N284 F285 N286	F215-N284 HydrophobicContact CE1-CB 4.24Å; F215-F285 HydrophobicContact CE1-CB 4.4Å; F215-F285 HydrophobicContact CE1-CD2 4.39Å; F215-N286 HydrophobicContact CB-CB 4.41Å; F215-N286 HydrophobicContact CD1-CB 4.29Å; F215-N286 VanDerWaalsContact O-CG 3.31Å; F215-N286 PolarHBondContact O-ND2 2.82Å
216	C	90.6	Very high	96.5	Very high	108 Å²	108	55.4 Å²	55.4	73%	0.73	28%	0.28	S	S	*	.	S	Bend	trans	-116.9	-7.2	177.5	57.3	0	0	0	0	114	S214	S214-C216 PolarHBondContact O-N 2.79Å; S214-C216 PolarHBondContact OG-N 2.69Å; S214-C216 PolarHBondContact OG-SG 3.3Å
217	E	96.1	Very high	96.5	Very high	36 Å²	36	54.8 Å²	54.8	17%	0.168	28%	0.278	C	S	.	.			trans	-71.1	143.4	-178.6	-175.2	62.9	-83.7	0	0	112.2	V211 N212 S214 N286 F287 Q290	V211-E217 HydrophobicContact CB-CG 3.82Å; V211-E217 HydrophobicContact CG1-CG 4.14Å; N212-E217 WeakPolarHBondContact CB-OE2 3.35Å; N212-E217 PolarHBondContact N-OE2 3.19Å; N212-E217 PolarHBondContact ND2-OE2 3.2Å; S214-E217 WeakPolarHBondContact OG-CB 3.23Å; S214-E217 PolarHBondContact OG-N 2.59Å; E217-N286 PolarHBondContact O-ND2 2.93Å; E217-F287 HydrophobicContact CB-CE1 3.95Å; E217-F287 HydrophobicContact CB-CZ 4.06Å; E217-F287 HydrophobicContact CG-CE1 4.2Å; E217-F287 HydrophobicContact CG-CZ 4.14Å; E217-Q290 PolarHBondContact O-NE2 2.86Å
218	K	96.6	Very high	96.5	Very high	147 Å²	147	59 Å²	59	64%	0.639	30%	0.3	S	S	*	.			trans	-108.1	97	-178.1	-68.6	-177.1	-179.8	178.7	0	111.3	P221	K218-P221 HydrophobicContact CB-CG 4.45Å
219	I	98.3	Very high	96.5	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.29	C	S	.	.			trans	-91.6	-25.6	177.2	-160	166.9	0	0	0	112.8	V211 P221 W222 L223 T253 I254 F287	V211-I219 HydrophobicContact CG1-CG1 4.5Å; V211-I219 HydrophobicContact CG2-CD1 4.16Å; V211-I219 HydrophobicContact CG2-CG1 4.45Å; I219-P221 VanDerWaalsContact C-CD 3.43Å; I219-W222 WeakPolarHBondContact O-CB 3.18Å; I219-W222 PolarHBondContact O-N 2.87Å; I219-L223 HydrophobicContact CG1-CD2 4.31Å; I219-T253 HydrophobicContact CD1-CG2 4.15Å; I219-T253 HydrophobicContact CG2-CG2 3.99Å; I219-I254 HydrophobicContact CD1-CD1 4.38Å; I219-I254 HydrophobicContact CD1-CG1 4.03Å; I219-F287 HydrophobicContact CB-CD1 4.13Å; I219-F287 HydrophobicContact CB-CE1 3.96Å; I219-F287 HydrophobicContact CG2-CB 4.45Å; I219-F287 HydrophobicContact CG2-CD1 3.45Å; I219-F287 VanDerWaalsContact CG2-CD1 3.45Å; I219-F287 HydrophobicContact CG2-CE1 3.81Å; I219-F287 HydrophobicContact CG2-CG 3.98Å
220	L	98.3	Very high	96.5	Very high	45 Å²	45	56 Å²	56	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-49.1	-44.2	178.4	178.2	58.5	0	0	0	114.4	W222 L223 Q290 D293 Y294	L220-W222 PolarHBondContact O-N 3.43Å; L220-W222 VanDerWaalsContact O-N 3.16Å; L220-L223 HydrophobicContact CD1-CD1 4Å; L220-L223 PolarHBondContact O-N 3.27Å; L220-Q290 HydrophobicContact CB-CB 4.13Å; L220-Q290 HydrophobicContact CB-CG 4.18Å; L220-D293 HydrophobicContact CD2-CB 4.19Å; L220-Y294 HydrophobicContact CD1-CD2 3.73Å; L220-Y294 HydrophobicContact CD1-CG 4.18Å
221	P	98.4	Very high	96.5	Very high	91 Å²	91	56.1 Å²	56.1	59%	0.591	29%	0.286	S	S	*	.	H	α-helix	trans	-64	-19.8	178.8	-21.7	34.9	0	0	0	114.3	K218 I219	K218-P221 HydrophobicContact CB-CG 4.45Å; I219-P221 VanDerWaalsContact C-CD 3.43Å
222	W	98.7	Very high	96.5	Very high	75 Å²	75	63.7 Å²	63.7	28%	0.284	32%	0.319	S	S	.	.	H	α-helix	trans	-93.4	-11.5	-178.2	-61.3	98.4	0	0	0	113.6	V209 P210 I219 L220 K225 S226	V209-W222 HydrophobicContact CG1-CB 3.58Å; V209-W222 HydrophobicContact CG1-CD2 3.99Å; V209-W222 HydrophobicContact CG1-CE3 4.41Å; V209-W222 HydrophobicContact CG1-CG 3.61Å; V209-W222 HydrophobicContact CG2-CB 4.33Å; V209-W222 HydrophobicContact CG2-CE3 4.34Å; P210-W222 HydrophobicContact CG-CH2 3.87Å; P210-W222 HydrophobicContact CG-CZ2 3.7Å; I219-W222 WeakPolarHBondContact O-CB 3.18Å; I219-W222 PolarHBondContact O-N 2.87Å; L220-W222 PolarHBondContact O-N 3.43Å; L220-W222 VanDerWaalsContact O-N 3.16Å; W222-K225 HydrophobicContact CE3-CD 4.32Å; W222-K225 HydrophobicContact CZ3-CD 4.36Å; W222-S226 WeakPolarHBondContact O-CB 3.28Å; W222-S226 PolarHBondContact O-N 3.48Å; W222-S226 PolarHBondContact O-OG 3.1Å
223	L	98.5	Very high	96.7	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-65.3	-48.6	-171.3	-62.6	-177.1	0	0	0	112.3	I219 L220 K225 S226 V227 I254 A257 L291 Y294	I219-L223 HydrophobicContact CG1-CD2 4.31Å; L220-L223 HydrophobicContact CD1-CD1 4Å; L220-L223 PolarHBondContact O-N 3.27Å; L223-K225 PolarHBondContact O-N 3.27Å; L223-S226 WeakPolarHBondContact O-CA 3.46Å; L223-S226 WeakPolarHBondContact O-CB 3.28Å; L223-S226 PolarHBondContact O-N 2.91Å; L223-S226 VanDerWaalsContact O-N 3.1Å; L223-V227 WeakPolarHBondContact O-CG2 3.3Å; L223-V227 PolarHBondContact O-N 3.11Å; L223-I254 HydrophobicContact CD2-CG1 4.16Å; L223-A257 HydrophobicContact CB-CB 4.34Å; L223-A257 HydrophobicContact CD1-CB 3.9Å; L223-A257 HydrophobicContact CD2-CB 3.81Å; L223-A257 HydrophobicContact CG-CB 4.22Å; L223-L291 HydrophobicContact CD1-CD2 4.18Å; L223-Y294 HydrophobicContact CB-CD2 4.22Å; L223-Y294 HydrophobicContact CB-CE1 4.27Å; L223-Y294 HydrophobicContact CB-CE2 3.95Å; L223-Y294 HydrophobicContact CD1-CD1 3.89Å; L223-Y294 HydrophobicContact CD1-CD2 3.95Å; L223-Y294 HydrophobicContact CD1-CE1 4.42Å; L223-Y294 HydrophobicContact CD1-CE2 4.49Å; L223-Y294 HydrophobicContact CD1-CG 3.64Å
224	D	97.9	Very high	96.6	Very high	39 Å²	39	58.7 Å²	58.7	21%	0.209	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-48.7	179.4	-63.7	-53.4	0	0	0	111.5	S226 V227 D228 Y294 K297	D224-S226 PolarHBondContact O-N 3.12Å; D224-V227 PolarHBondContact O-N 2.86Å; D224-D228 VanDerWaalsContact O-CG 3.29Å; D224-D228 PolarHBondContact O-N 2.93Å; D224-Y294 VanDerWaalsContact OD1-CE2 3.23Å; D224-Y294 WeakPolarHBondContact OD1-CE2 3.38Å; D224-Y294 PolarHBondContact OD1-OH 2.98Å; D224-K297 IonicContact OD2-NZ 3.05Å; D224-K297 PolarHBondContact OD2-NZ 3.02Å
225	K	98.5	Very high	96.9	Very high	110 Å²	110	61.4 Å²	61.4	48%	0.478	32%	0.315	S	S	.	.	H	α-helix	trans	-57	-33.9	174.4	-173.2	-178.2	-178	-175.3	0	112.8	L207 W222 L223 F229	L207-K225 HydrophobicContact CD1-CD 4.43Å; L207-K225 HydrophobicContact CD2-CG 4.44Å; W222-K225 HydrophobicContact CE3-CD 4.32Å; W222-K225 HydrophobicContact CZ3-CD 4.36Å; L223-K225 PolarHBondContact O-N 3.27Å; K225-F229 WeakPolarHBondContact O-CB 3.15Å; K225-F229 PolarHBondContact O-N 3.26Å; K225-F229 VanDerWaalsContact O-N 3.16Å
226	S	98.7	Very high	97.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-71.2	-40	176.4	-59.4	0	0	0	0	111.9	W222 L223 D224 I230	W222-S226 WeakPolarHBondContact O-CB 3.28Å; W222-S226 PolarHBondContact O-N 3.48Å; W222-S226 PolarHBondContact O-OG 3.1Å; L223-S226 WeakPolarHBondContact O-CA 3.46Å; L223-S226 WeakPolarHBondContact O-CB 3.28Å; L223-S226 PolarHBondContact O-N 2.91Å; L223-S226 VanDerWaalsContact O-N 3.1Å; D224-S226 PolarHBondContact O-N 3.12Å; S226-I230 WeakPolarHBondContact O-CD1 3.29Å; S226-I230 VanDerWaalsContact O-CG1 3.3Å; S226-I230 WeakPolarHBondContact O-CG1 3.31Å; S226-I230 PolarHBondContact O-N 3.1Å
227	V	98.2	Very high	97.4	Very high	8 Å²	8	59.1 Å²	59.1	5%	0.048	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-48.9	173.4	176.5	0	0	0	0	110.3	L223 D224 F229 I230 E231 Y258 K261	L223-V227 WeakPolarHBondContact O-CG2 3.3Å; L223-V227 PolarHBondContact O-N 3.11Å; D224-V227 PolarHBondContact O-N 2.86Å; V227-F229 VanDerWaalsContact C-N 3.26Å; V227-F229 PolarHBondContact O-N 3.24Å; V227-I230 CarbonylContact O-C 3.57Å; V227-I230 PolarHBondContact O-N 2.89Å; V227-E231 HydrophobicContact CG1-CG 4.16Å; V227-E231 WeakPolarHBondContact O-CG 3.34Å; V227-E231 PolarHBondContact O-N 2.68Å; V227-Y258 HydrophobicContact CB-CD2 4.3Å; V227-Y258 HydrophobicContact CG1-CD2 4.02Å; V227-Y258 HydrophobicContact CG1-CE2 4.19Å; V227-Y258 HydrophobicContact CG2-CD2 4.09Å; V227-K261 HydrophobicContact CG1-CG 4.08Å; V227-K261 HydrophobicContact CG2-CB 4.3Å; V227-K261 HydrophobicContact CG2-CG 4.39Å
228	D	98.3	Very high	97.4	Very high	104 Å²	104	58 Å²	58	56%	0.556	31%	0.306	S	S	*	.	H	α-helix	trans	-58.8	-36.3	-179.3	-65	-26.3	0	0	0	112.7	D224 K232	D224-D228 VanDerWaalsContact O-CG 3.29Å; D224-D228 PolarHBondContact O-N 2.93Å; D228-K232 VanDerWaalsContact O-CB 3.3Å; D228-K232 WeakPolarHBondContact O-CB 3.37Å; D228-K232 PolarHBondContact O-N 2.92Å
229	F	98.7	Very high	97.4	Very high	29 Å²	29	51.5 Å²	51.5	13%	0.127	28%	0.279	C	S	.	.	H	α-helix	trans	-65.5	-45	173.2	174.9	-94.5	0	0	0	112.2	Y187 L189 H205 L207 K225 V227 E231 K232 A233 V240	Y187-F229 HydrophobicContact CD1-CE2 4.38Å; Y187-F229 HydrophobicContact CD1-CZ 4.1Å; L189-F229 HydrophobicContact CB-CD1 4.16Å; L189-F229 HydrophobicContact CB-CE1 3.92Å; L189-F229 HydrophobicContact CD1-CD1 4.03Å; L189-F229 HydrophobicContact CG-CD1 4.33Å; H205-F229 WeakPolarHBondContact O-CZ 3.29Å; L207-F229 HydrophobicContact CB-CD1 4.15Å; L207-F229 HydrophobicContact CB-CD2 3.61Å; L207-F229 HydrophobicContact CB-CE1 4.16Å; L207-F229 HydrophobicContact CB-CE2 3.63Å; L207-F229 HydrophobicContact CB-CG 3.87Å; L207-F229 HydrophobicContact CB-CZ 3.9Å; L207-F229 HydrophobicContact CD2-CB 3.58Å; L207-F229 HydrophobicContact CD2-CD1 4.27Å; L207-F229 HydrophobicContact CD2-CD2 4.14Å; L207-F229 HydrophobicContact CD2-CG 3.75Å; L207-F229 HydrophobicContact CG-CD2 4.48Å; L207-F229 HydrophobicContact CG-CG 4.46Å; K225-F229 WeakPolarHBondContact O-CB 3.15Å; K225-F229 PolarHBondContact O-N 3.26Å; K225-F229 VanDerWaalsContact O-N 3.16Å; V227-F229 VanDerWaalsContact C-N 3.26Å; V227-F229 PolarHBondContact O-N 3.24Å; F229-E231 VanDerWaalsContact C-N 3.34Å; F229-K232 PolarHBondContact O-N 3.02Å; F229-A233 WeakPolarHBondContact O-CB 3.21Å; F229-A233 PolarHBondContact O-N 3.12Å; F229-V240 HydrophobicContact CD1-CG1 4.41Å; F229-V240 HydrophobicContact CE1-CG1 3.89Å
230	I	98.5	Very high	97.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-37.3	177.7	-61.1	160.6	0	0	0	110.6	L166 L189 S226 V227 K234 V240 V242 Y258	L166-I230 HydrophobicContact CD1-CD1 4.16Å; L166-I230 HydrophobicContact CD1-CG1 4.44Å; L166-I230 HydrophobicContact CD1-CG2 4.12Å; L189-I230 HydrophobicContact CD1-CD1 4.38Å; L189-I230 HydrophobicContact CD1-CG1 4.43Å; S226-I230 WeakPolarHBondContact O-CD1 3.29Å; S226-I230 VanDerWaalsContact O-CG1 3.3Å; S226-I230 WeakPolarHBondContact O-CG1 3.31Å; S226-I230 PolarHBondContact O-N 3.1Å; V227-I230 CarbonylContact O-C 3.57Å; V227-I230 PolarHBondContact O-N 2.89Å; I230-K234 HydrophobicContact CG2-CD 4.1Å; I230-K234 WeakPolarHBondContact O-CB 3.14Å; I230-K234 VanDerWaalsContact O-CG 3.26Å; I230-K234 WeakPolarHBondContact O-CG 3.34Å; I230-K234 PolarHBondContact O-N 3.43Å; I230-V240 HydrophobicContact CG1-CG1 4.2Å; I230-V240 HydrophobicContact CG2-CG2 4.31Å; I230-V242 HydrophobicContact CD1-CG2 3.85Å; I230-V242 HydrophobicContact CG1-CG2 4.37Å; I230-Y258 HydrophobicContact CB-CD2 3.87Å; I230-Y258 HydrophobicContact CB-CE2 3.56Å; I230-Y258 HydrophobicContact CD1-CD2 3.6Å; I230-Y258 HydrophobicContact CD1-CE2 4.19Å; I230-Y258 HydrophobicContact CD1-CG 4.02Å; I230-Y258 HydrophobicContact CG1-CD2 4.34Å; I230-Y258 HydrophobicContact CG1-CE2 4.49Å; I230-Y258 HydrophobicContact CG2-CD2 3.85Å; I230-Y258 HydrophobicContact CG2-CE1 4.29Å; I230-Y258 HydrophobicContact CG2-CE2 3.27Å
231	E	97.8	Very high	97.5	Very high	52 Å²	52	49.4 Å²	49.4	24%	0.243	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-45.5	173.4	-69.4	-48	121.4	0	0	112.7	V227 F229 A233 K234 A235 Y258 R262	V227-E231 HydrophobicContact CG1-CG 4.16Å; V227-E231 WeakPolarHBondContact O-CG 3.34Å; V227-E231 PolarHBondContact O-N 2.68Å; F229-E231 VanDerWaalsContact C-N 3.34Å; E231-A233 VanDerWaalsContact C-N 3.35Å; E231-A233 PolarHBondContact O-N 3.4Å; E231-K234 PolarHBondContact O-N 3.48Å; E231-K234 IonicContact OE1-NZ 2.66Å; E231-A235 WeakPolarHBondContact O-CB 3.45Å; E231-A235 PolarHBondContact O-N 2.81Å; E231-Y258 WeakPolarHBondContact OE1-CE2 3.47Å; E231-Y258 PolarHBondContact OE1-OH 3.44Å; E231-R262 WeakPolarHBondContact OE1-CD 3.43Å; E231-R262 WeakPolarHBondContact OE1-CG 3.49Å; E231-R262 IonicContact OE1-CZ 3.3Å; E231-R262 IonicContact OE1-NE 2.67Å; E231-R262 IonicContact OE1-NH1 2.68Å; E231-R262 PolarHBondContact OE1-NH1 3.2Å; E231-R262 IonicContact OE2-CZ 3.64Å; E231-R262 IonicContact OE2-NH1 3.58Å; E231-R262 PolarHBondContact OE2-NH1 3.49Å
232	K	97.6	Very high	97.5	Very high	159 Å²	159	45 Å²	45	69%	0.691	24%	0.239	S	C	*	.	H	α-helix	trans	-60.7	-44.4	177.8	-175.9	173.3	-66.4	-174.5	0	111.8	D228 F229 A235 S236	D228-K232 VanDerWaalsContact O-CB 3.3Å; D228-K232 WeakPolarHBondContact O-CB 3.37Å; D228-K232 PolarHBondContact O-N 2.92Å; F229-K232 PolarHBondContact O-N 3.02Å; K232-A235 PolarHBondContact O-N 3.35Å; K232-S236 PolarHBondContact O-N 3.08Å; K232-S236 PolarHBondContact O-OG 2.67Å
233	A	97.1	Very high	97.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-38.4	175.4	0	0	0	0	0	112.5	Y187 F229 E231 S236 G238 V240	Y187-A233 HydrophobicContact CD1-CB 3.66Å; Y187-A233 HydrophobicContact CD2-CB 3.71Å; Y187-A233 HydrophobicContact CE1-CB 3.92Å; Y187-A233 HydrophobicContact CE2-CB 3.95Å; Y187-A233 HydrophobicContact CG-CB 3.57Å; F229-A233 WeakPolarHBondContact O-CB 3.21Å; F229-A233 PolarHBondContact O-N 3.12Å; E231-A233 VanDerWaalsContact C-N 3.35Å; E231-A233 PolarHBondContact O-N 3.4Å; A233-S236 PolarHBondContact O-N 3.49Å; A233-S236 PolarHBondContact O-OG 3.37Å; A233-G238 VanDerWaalsContact O-CA 3.24Å; A233-G238 WeakPolarHBondContact O-CA 3.27Å; A233-G238 PolarHBondContact O-N 3.49Å; A233-V240 HydrophobicContact CB-CG2 3.34Å
234	K	94.8	Very high	97.5	Very high	44 Å²	44	41.5 Å²	41.5	19%	0.191	23%	0.226	C	C	.	.	H	α-helix	trans	-67.8	-35.4	174.1	-75.5	171.6	66.7	-170.8	0	112.9	N165 I230 E231 S236 N237 Y258	N165-K234 HydrophobicContact CB-CG 4.07Å; I230-K234 HydrophobicContact CG2-CD 4.1Å; I230-K234 WeakPolarHBondContact O-CB 3.14Å; I230-K234 VanDerWaalsContact O-CG 3.26Å; I230-K234 WeakPolarHBondContact O-CG 3.34Å; I230-K234 PolarHBondContact O-N 3.43Å; E231-K234 PolarHBondContact O-N 3.48Å; E231-K234 IonicContact OE1-NZ 2.66Å; K234-S236 VanDerWaalsContact C-N 3.27Å; K234-S236 PolarHBondContact O-N 2.98Å; K234-N237 WeakPolarHBondContact O-CA 3.45Å; K234-N237 PolarHBondContact O-N 2.83Å; K234-Y258 WeakPolarHBondContact CD-OH 3.12Å; K234-Y258 PolarHBondContact NZ-OH 2.89Å
235	A	95.9	Very high	97.4	Very high	90 Å²	90	43.8 Å²	43.8	74%	0.744	24%	0.238	S	C	*	.	H	α-helix	trans	-66.1	-28.7	177.5	0	0	0	0	0	112.6	E231 K232 N237	E231-A235 WeakPolarHBondContact O-CB 3.45Å; E231-A235 PolarHBondContact O-N 2.81Å; K232-A235 PolarHBondContact O-N 3.35Å; A235-N237 VanDerWaalsContact C-N 3.25Å; A235-N237 PolarHBondContact O-N 2.95Å
236	S	94.8	Very high	97.2	Very high	67 Å²	67	41 Å²	41	47%	0.469	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	15.4	169.2	55.6	0	0	0	0	113.9	Y187 K232 A233 K234 G238	Y187-S236 PolarHBondContact OH-OG 2.88Å; K232-S236 PolarHBondContact O-N 3.08Å; K232-S236 PolarHBondContact O-OG 2.67Å; A233-S236 PolarHBondContact O-N 3.49Å; A233-S236 PolarHBondContact O-OG 3.37Å; K234-S236 VanDerWaalsContact C-N 3.27Å; K234-S236 PolarHBondContact O-N 2.98Å; S236-G238 PolarHBondContact O-N 3.44Å; S236-G238 VanDerWaalsContact O-N 3.09Å
237	N	93.8	Very high	97.2	Very high	144 Å²	144	41 Å²	41	77%	0.77	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	15.3	-171.9	-70.1	-40.3	0	0	0	115	K234 A235	K234-N237 WeakPolarHBondContact O-CA 3.45Å; K234-N237 PolarHBondContact O-N 2.83Å; A235-N237 VanDerWaalsContact C-N 3.25Å; A235-N237 PolarHBondContact O-N 2.95Å
238	G	95.4	Very high	97.1	Very high	13 Å²	13	43.3 Å²	43.3	13%	0.134	25%	0.247	C	C	.	.			trans	-72.4	159	175.6	0	0	0	0	0	113.5	N165 A233 S236	N165-G238 WeakPolarHBondContact CB-O 3.2Å; N165-G238 PolarHBondContact ND2-O 2.85Å; A233-G238 VanDerWaalsContact O-CA 3.24Å; A233-G238 WeakPolarHBondContact O-CA 3.27Å; A233-G238 PolarHBondContact O-N 3.49Å; S236-G238 PolarHBondContact O-N 3.44Å; S236-G238 VanDerWaalsContact O-N 3.09Å
239	C	97.9	Very high	97.1	Very high	11 Å²	11	38.7 Å²	38.7	7%	0.074	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.3	174.1	-179.6	0	0	0	0	110.4	Y167 G184 G186 Y187	Y167-C239 WeakPolarHBondContact CD2-SG 3.46Å; Y167-C239 WeakPolarHBondContact CE2-SG 3.25Å; G184-C239 WeakPolarHBondContact O-CB 3.4Å; G186-C239 PolarHBondContact N-O 3.14Å; G186-C239 VanDerWaalsContact N-O 3.15Å; Y187-C239 PolarHBondContact N-O 2.83Å; Y187-C239 VanDerWaalsContact N-O 3.09Å
240	V	98.8	Very high	97.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134	-173.5	-170.4	0	0	0	0	111.5	N165 L166 Y167 Y187 F229 I230 A233 V242	N165-V240 PolarHBondContact O-N 3.43Å; L166-V240 WeakPolarHBondContact CA-O 3.49Å; L166-V240 HydrophobicContact CD1-CB 4.33Å; Y167-V240 PolarHBondContact N-O 2.68Å; Y187-V240 WeakPolarHBondContact O-CA 3.42Å; F229-V240 HydrophobicContact CD1-CG1 4.41Å; F229-V240 HydrophobicContact CE1-CG1 3.89Å; I230-V240 HydrophobicContact CG1-CG1 4.2Å; I230-V240 HydrophobicContact CG2-CG2 4.31Å; A233-V240 HydrophobicContact CB-CG2 3.34Å; V240-V242 HydrophobicContact CG1-CG2 4.3Å
241	L	98.8	Very high	97.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115	163.6	177.5	51.7	0	0	0	110.9	P159 D173 V174 M180 I185 Y187 V188 L189 H243	P159-L241 HydrophobicContact CB-CD1 3.67Å; P159-L241 HydrophobicContact CB-CD2 4.12Å; P159-L241 HydrophobicContact CG-CD2 4.48Å; D173-L241 HydrophobicContact CB-CD2 4.42Å; V174-L241 HydrophobicContact CB-CD2 4.46Å; V174-L241 HydrophobicContact CG1-CD2 3.72Å; V174-L241 HydrophobicContact CG1-CG 4.26Å; M180-L241 HydrophobicContact SD-CD2 3.56Å; M180-L241 VanDerWaalsContact SD-CD2 3.56Å; I185-L241 HydrophobicContact CD1-CB 4.24Å; I185-L241 HydrophobicContact CD1-CD2 4.24Å; I185-L241 HydrophobicContact CG2-CB 3.55Å; Y187-L241 PolarHBondContact O-N 3.39Å; V188-L241 WeakPolarHBondContact CA-O 3.46Å; L189-L241 PolarHBondContact N-O 3.42Å; L241-H243 HydrophobicContact CG-CB 4.41Å
242	V	98.8	Very high	97.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	117.4	169.8	-178	0	0	0	0	108	L166 Y167 L168 G169 L189 I230 V240 I254	L166-V242 HydrophobicContact CD1-CG2 3.61Å; Y167-V242 PolarHBondContact O-N 2.88Å; L168-V242 WeakPolarHBondContact CA-O 3.18Å; G169-V242 PolarHBondContact N-O 2.85Å; L189-V242 HydrophobicContact CB-CG2 4.16Å; L189-V242 HydrophobicContact CD1-CG2 4.44Å; L189-V242 HydrophobicContact CD2-CG1 4.45Å; I230-V242 HydrophobicContact CD1-CG2 3.85Å; I230-V242 HydrophobicContact CG1-CG2 4.37Å; V240-V242 HydrophobicContact CG1-CG2 4.3Å; V242-I254 HydrophobicContact CG1-CB 4.03Å; V242-I254 HydrophobicContact CG1-CG2 3.94Å
243	H	98.7	Very high	97.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	161.4	-176.7	88.1	106.1	0	0	0	113.3	G169 V174 L189 N190 A191 L241	G169-H243 VanDerWaalsContact O-CA 3.32Å; G169-H243 WeakPolarHBondContact O-CA 3.17Å; G169-H243 WeakPolarHBondContact O-CB 3.32Å; V174-H243 HydrophobicContact CG1-CB 3.79Å; L189-H243 PolarHBondContact O-CD2 3.05Å; L189-H243 PolarHBondContact O-N 2.67Å; N190-H243 WeakPolarHBondContact CA-NE2 3.46Å; N190-H243 WeakPolarHBondContact CB-NE2 3.46Å; A191-H243 WeakPolarHBondContact CB-O 3.31Å; A191-H243 PolarHBondContact N-O 2.74Å; L241-H243 HydrophobicContact CG-CB 4.41Å
244	C	98.4	Very high	97.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.007	18%	0.176	C	C	.	.			trans	-136.6	-160.9	162.8	73.6	0	0	0	0	107.9	C170 Q171 A191 G247 R250 S251	C170-C244 CarbonylContact C-O 3.53Å; C170-C244 VanDerWaalsContact C-O 3.29Å; C170-C244 WeakPolarHBondContact CA-O 3.26Å; Q171-C244 PolarHBondContact N-O 3.33Å; A191-C244 HydrophobicContact CB-CB 4.27Å; A191-C244 VanDerWaalsContact O-CB 3.22Å; A191-C244 WeakPolarHBondContact O-CB 3.5Å; C244-G247 PolarHBondContact SG-N 3.02Å; C244-G247 VanDerWaalsContact SG-N 3.36Å; C244-R250 HydrophobicContact CB-CB 3.94Å; C244-S251 PolarHBondContact N-OG 3.08Å; C244-S251 PolarHBondContact SG-OG 3.45Å; C244-S251 VanDerWaalsContact SG-OG 3.39Å
245	L	96.4	Very high	97.5	Very high	87 Å²	87	26.3 Å²	26.3	46%	0.455	17%	0.167	S	C	.	.	S	Bend	trans	-56.1	-56.4	177.4	-178.1	61.2	0	0	0	112.4	C170 Q171	C170-L245 WeakPolarHBondContact CB-O 3.35Å; Q171-L245 PolarHBondContact N-O 3.15Å; Q171-L245 VanDerWaalsContact OE1-CD1 3.29Å
246	A	94.7	Very high	97.7	Very high	52 Å²	52	22 Å²	22	43%	0.43	13%	0.132	S	C	.	.	S	Bend	trans	-107.5	-14.1	-172.4	0	0	0	0	0	115.1	C170 I248	C170-A246 WeakPolarHBondContact CB-O 3.27Å; A246-I248 HydrophobicContact CB-CB 4.49Å; A246-I248 HydrophobicContact CB-CD1 4.03Å; A246-I248 HydrophobicContact CB-CG1 4.11Å
247	G	97	Very high	97.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	66.5	38.7	-175	0	0	0	0	0	113.8	G169 C244 R278	G169-G247 WeakPolarHBondContact O-CA 3.33Å; C244-G247 PolarHBondContact SG-N 3.02Å; C244-G247 VanDerWaalsContact SG-N 3.36Å; G247-R278 PolarHBondContact O-NE 2.97Å
248	I	97.6	Very high	98.1	Very high	56 Å²	56	12 Å²	12	29%	0.287	7%	0.073	S	C	.	.	S	Bend	trans	-119	-55.1	-175.7	-66.8	178	0	0	0	111.5	A246 A252 I281 S282	A246-I248 HydrophobicContact CB-CB 4.49Å; A246-I248 HydrophobicContact CB-CD1 4.03Å; A246-I248 HydrophobicContact CB-CG1 4.11Å; I248-A252 VanDerWaalsContact O-CB 3.3Å; I248-A252 WeakPolarHBondContact O-CB 3.43Å; I248-I281 WeakPolarHBondContact O-CA 3.37Å; I248-S282 CarbonylContact O-C 3.57Å; I248-S282 PolarHBondContact O-N 3.07Å
249	S	98.4	Very high	98.2	Very high	7 Å²	7	11.4 Å²	11.4	5%	0.049	7%	0.067	C	C	.	.	S	Bend	trans	-107.3	-88	-172.8	169.7	0	0	0	0	112	D213 S251 A252 T253 S282 N284 F287	D213-S249 WeakPolarHBondContact OD1-CB 3.48Å; D213-S249 PolarHBondContact OD1-OG 2.91Å; D213-S249 WeakPolarHBondContact OD2-CB 3.48Å; S249-S251 PolarHBondContact O-N 3.08Å; S249-S251 VanDerWaalsContact O-N 3.14Å; S249-A252 CarbonylContact O-C 3.29Å; S249-A252 WeakPolarHBondContact O-CA 3.35Å; S249-A252 WeakPolarHBondContact O-CB 3.28Å; S249-A252 PolarHBondContact O-N 3.18Å; S249-T253 PolarHBondContact O-N 3.49Å; S249-T253 PolarHBondContact O-OG1 3.32Å; S249-S282 WeakPolarHBondContact CB-O 3.25Å; S249-N284 PolarHBondContact OG-N 2.98Å; S249-F287 WeakPolarHBondContact OG-CD2 3.49Å
250	R	98.8	Very high	98.3	Very high	22 Å²	22	10.9 Å²	10.9	8%	0.083	6%	0.064	C	C	.	.	H	α-helix	trans	-42.4	-52.4	-174.6	-73.4	168.1	-83.3	179.2	-2.7	116.2	A191 V211 N212 D213 C244 T253 I254 F287	A191-R250 HydrophobicContact CB-CB 4.05Å; A191-R250 WeakPolarHBondContact O-CD 3.35Å; V211-R250 HydrophobicContact CG2-CB 4.45Å; V211-R250 HydrophobicContact CG2-CG 4.02Å; V211-R250 WeakPolarHBondContact O-CD 3.48Å; V211-R250 PolarHBondContact O-NH1 3.22Å; N212-R250 WeakPolarHBondContact O-CD 3.4Å; D213-R250 IonicContact OD2-CZ 2.62Å; D213-R250 IonicContact OD2-NE 3.4Å; D213-R250 PolarHBondContact OD2-NE 3.16Å; D213-R250 IonicContact OD2-NH2 3.4Å; D213-R250 PolarHBondContact OD2-NH2 2.87Å; C244-R250 HydrophobicContact CB-CB 3.94Å; R250-T253 WeakPolarHBondContact O-CB 3.29Å; R250-T253 PolarHBondContact O-N 2.97Å; R250-I254 PolarHBondContact O-N 2.74Å; R250-F287 HydrophobicContact CG-CE2 3.57Å; R250-F287 HydrophobicContact CG-CZ 4.11Å
251	S	98.8	Very high	98.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-73	-31.5	-179	50.9	0	0	0	0	113.2	L168 C244 S249 T253 I254 A255	L168-S251 VanDerWaalsContact CD1-C 3.49Å; L168-S251 WeakPolarHBondContact CD1-OG 3.17Å; C244-S251 PolarHBondContact N-OG 3.08Å; C244-S251 PolarHBondContact SG-OG 3.45Å; C244-S251 VanDerWaalsContact SG-OG 3.39Å; S249-S251 PolarHBondContact O-N 3.08Å; S249-S251 VanDerWaalsContact O-N 3.14Å; S251-T253 VanDerWaalsContact C-N 3.35Å; S251-I254 PolarHBondContact O-N 2.88Å; S251-A255 WeakPolarHBondContact O-CB 3.4Å; S251-A255 PolarHBondContact O-N 3.41Å
252	A	98.8	Very high	98	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.8	-38.6	172.1	0	0	0	0	0	110.8	L168 I248 S249 I254 A255 I256 I281 P283	L168-A252 HydrophobicContact CD2-CB 4.13Å; I248-A252 VanDerWaalsContact O-CB 3.3Å; I248-A252 WeakPolarHBondContact O-CB 3.43Å; S249-A252 CarbonylContact O-C 3.29Å; S249-A252 WeakPolarHBondContact O-CA 3.35Å; S249-A252 WeakPolarHBondContact O-CB 3.28Å; S249-A252 PolarHBondContact O-N 3.18Å; A252-I254 PolarHBondContact O-N 2.76Å; A252-A255 PolarHBondContact O-N 2.76Å; A252-I256 WeakPolarHBondContact O-CB 3.32Å; A252-I256 WeakPolarHBondContact O-CD1 3.39Å; A252-I256 WeakPolarHBondContact O-CG1 3.24Å; A252-I256 PolarHBondContact O-N 3.19Å; A252-I281 HydrophobicContact CB-CB 3.76Å; A252-I281 HydrophobicContact CB-CD1 4.41Å; A252-I281 HydrophobicContact CB-CG2 3.58Å; A252-P283 HydrophobicContact CB-CG 4.2Å
253	T	98.9	Very high	97.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-56.4	-48	172.9	-52.4	0	0	0	0	111.6	I219 S249 R250 S251 I256 A257 F287 L291	I219-T253 HydrophobicContact CD1-CG2 4.15Å; I219-T253 HydrophobicContact CG2-CG2 3.99Å; S249-T253 PolarHBondContact O-N 3.49Å; S249-T253 PolarHBondContact O-OG1 3.32Å; R250-T253 WeakPolarHBondContact O-CB 3.29Å; R250-T253 PolarHBondContact O-N 2.97Å; S251-T253 VanDerWaalsContact C-N 3.35Å; T253-I256 PolarHBondContact O-N 3.15Å; T253-A257 WeakPolarHBondContact O-CB 3.41Å; T253-A257 PolarHBondContact O-N 3.08Å; T253-F287 HydrophobicContact CG2-CB 3.86Å; T253-F287 HydrophobicContact CG2-CG 4.37Å; T253-L291 HydrophobicContact CG2-CD1 3.79Å; T253-L291 HydrophobicContact CG2-CD2 4.01Å; T253-L291 HydrophobicContact CG2-CG 3.79Å
254	I	98.9	Very high	97.7	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-65.8	-41.2	177.7	-64.3	179.2	0	0	0	111.3	L189 A191 V209 I219 L223 V242 R250 S251 A252 I256 A257 Y258	L189-I254 HydrophobicContact CD1-CG2 4.18Å; L189-I254 HydrophobicContact CD2-CD1 3.83Å; A191-I254 HydrophobicContact CB-CD1 3.75Å; V209-I254 HydrophobicContact CB-CD1 4.31Å; V209-I254 HydrophobicContact CG1-CD1 4.19Å; V209-I254 HydrophobicContact CG2-CD1 4.28Å; I219-I254 HydrophobicContact CD1-CD1 4.38Å; I219-I254 HydrophobicContact CD1-CG1 4.03Å; L223-I254 HydrophobicContact CD2-CG1 4.16Å; V242-I254 HydrophobicContact CG1-CB 4.03Å; V242-I254 HydrophobicContact CG1-CG2 3.94Å; R250-I254 PolarHBondContact O-N 2.74Å; S251-I254 PolarHBondContact O-N 2.88Å; A252-I254 PolarHBondContact O-N 2.76Å; I254-I256 PolarHBondContact O-N 3.09Å; I254-A257 PolarHBondContact O-N 2.73Å; I254-Y258 WeakPolarHBondContact O-CB 3.41Å; I254-Y258 PolarHBondContact O-N 2.63Å
255	A	98.8	Very high	97.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.1	-41.1	175.7	0	0	0	0	0	112.2	L168 S251 A252 Y258 I259 V274	L168-A255 HydrophobicContact CD1-CB 4.44Å; L168-A255 HydrophobicContact CD2-CB 4.24Å; S251-A255 WeakPolarHBondContact O-CB 3.4Å; S251-A255 PolarHBondContact O-N 3.41Å; A252-A255 PolarHBondContact O-N 2.76Å; A255-Y258 WeakPolarHBondContact O-CB 3.26Å; A255-Y258 PolarHBondContact O-N 3.13Å; A255-I259 WeakPolarHBondContact O-CG1 3.39Å; A255-I259 PolarHBondContact O-N 3.16Å; A255-V274 HydrophobicContact CB-CG1 4.45Å
256	I	98.8	Very high	97.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.7	-49	176.3	-68.9	161.2	0	0	0	110.6	A252 T253 I254 Y258 I259 M260 L267 A270 Y271 V274 I281 P283 L291	A252-I256 WeakPolarHBondContact O-CB 3.32Å; A252-I256 WeakPolarHBondContact O-CD1 3.39Å; A252-I256 WeakPolarHBondContact O-CG1 3.24Å; A252-I256 PolarHBondContact O-N 3.19Å; T253-I256 PolarHBondContact O-N 3.15Å; I254-I256 PolarHBondContact O-N 3.09Å; I256-Y258 PolarHBondContact O-N 3.46Å; I256-I259 PolarHBondContact O-N 2.87Å; I256-M260 HydrophobicContact CG2-CG 4.36Å; I256-M260 HydrophobicContact CG2-SD 3.85Å; I256-M260 VanDerWaalsContact O-CG 3.29Å; I256-M260 WeakPolarHBondContact O-CG 3.45Å; I256-M260 PolarHBondContact O-N 3.25Å; I256-L267 HydrophobicContact CG2-CD1 3.85Å; I256-A270 HydrophobicContact CG2-CB 3.92Å; I256-Y271 HydrophobicContact CD1-CD2 3.7Å; I256-Y271 HydrophobicContact CD1-CE2 4.38Å; I256-Y271 HydrophobicContact CD1-CG 4.35Å; I256-V274 HydrophobicContact CG1-CB 4.09Å; I256-V274 HydrophobicContact CG1-CG2 3.95Å; I256-I281 HydrophobicContact CD1-CD1 4.11Å; I256-P283 HydrophobicContact CD1-CG 3.92Å; I256-L291 HydrophobicContact CB-CD1 4.18Å; I256-L291 HydrophobicContact CG2-CD1 3.85Å; I256-L291 HydrophobicContact CG2-CD2 4.45Å
257	A	98.8	Very high	97.8	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-54	-41.3	175.6	0	0	0	0	0	112.3	L223 T253 I254 K261 L291 Y294	L223-A257 HydrophobicContact CB-CB 4.34Å; L223-A257 HydrophobicContact CD1-CB 3.9Å; L223-A257 HydrophobicContact CD2-CB 3.81Å; L223-A257 HydrophobicContact CG-CB 4.22Å; T253-A257 WeakPolarHBondContact O-CB 3.41Å; T253-A257 PolarHBondContact O-N 3.08Å; I254-A257 PolarHBondContact O-N 2.73Å; A257-K261 WeakPolarHBondContact O-CB 3.4Å; A257-K261 PolarHBondContact O-N 2.99Å; A257-L291 HydrophobicContact CB-CD2 3.65Å; A257-Y294 HydrophobicContact CB-CD1 3.92Å; A257-Y294 HydrophobicContact CB-CE1 3.9Å
258	Y	98.8	Very high	97.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.4	-46.4	175.8	179.7	-88.1	0	0	0	112.6	L163 L166 V227 I230 E231 K234 I254 A255 I256 K261 R262	L163-Y258 HydrophobicContact CD1-CE1 3.94Å; L166-Y258 HydrophobicContact CD2-CD1 3.38Å; L166-Y258 HydrophobicContact CD2-CE1 3.62Å; L166-Y258 HydrophobicContact CD2-CG 4.09Å; V227-Y258 HydrophobicContact CB-CD2 4.3Å; V227-Y258 HydrophobicContact CG1-CD2 4.02Å; V227-Y258 HydrophobicContact CG1-CE2 4.19Å; V227-Y258 HydrophobicContact CG2-CD2 4.09Å; I230-Y258 HydrophobicContact CB-CD2 3.87Å; I230-Y258 HydrophobicContact CB-CE2 3.56Å; I230-Y258 HydrophobicContact CD1-CD2 3.6Å; I230-Y258 HydrophobicContact CD1-CE2 4.19Å; I230-Y258 HydrophobicContact CD1-CG 4.02Å; I230-Y258 HydrophobicContact CG1-CD2 4.34Å; I230-Y258 HydrophobicContact CG1-CE2 4.49Å; I230-Y258 HydrophobicContact CG2-CD2 3.85Å; I230-Y258 HydrophobicContact CG2-CE1 4.29Å; I230-Y258 HydrophobicContact CG2-CE2 3.27Å; E231-Y258 WeakPolarHBondContact OE1-CE2 3.47Å; E231-Y258 PolarHBondContact OE1-OH 3.44Å; K234-Y258 WeakPolarHBondContact CD-OH 3.12Å; K234-Y258 PolarHBondContact NZ-OH 2.89Å; I254-Y258 WeakPolarHBondContact O-CB 3.41Å; I254-Y258 PolarHBondContact O-N 2.63Å; A255-Y258 WeakPolarHBondContact O-CB 3.26Å; A255-Y258 PolarHBondContact O-N 3.13Å; I256-Y258 PolarHBondContact O-N 3.46Å; Y258-K261 PolarHBondContact O-N 3.24Å; Y258-R262 HydrophobicContact CD2-CG 4.31Å; Y258-R262 HydrophobicContact CE1-CB 4.21Å; Y258-R262 HydrophobicContact CE1-CG 4.03Å; Y258-R262 HydrophobicContact CE2-CG 3.76Å; Y258-R262 WeakPolarHBondContact O-CB 3.19Å; Y258-R262 PolarHBondContact O-N 3.08Å; Y258-R262 PolarHBondContact OH-NH1 3.27Å
259	I	98.6	Very high	97.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-44.4	177.2	-66.8	-62.9	0	0	0	111	I162 L163 A255 I256 K261 R262 M263 M265 A270 F273 V274	I162-I259 HydrophobicContact CG2-CD1 4.03Å; I162-I259 HydrophobicContact CG2-CG1 4.24Å; L163-I259 HydrophobicContact CD1-CD1 3.61Å; L163-I259 HydrophobicContact CD2-CD1 4.43Å; L163-I259 HydrophobicContact CG-CD1 3.93Å; A255-I259 WeakPolarHBondContact O-CG1 3.39Å; A255-I259 PolarHBondContact O-N 3.16Å; I256-I259 PolarHBondContact O-N 2.87Å; I259-K261 PolarHBondContact O-N 3.2Å; I259-R262 PolarHBondContact O-N 3.3Å; I259-M263 HydrophobicContact CD1-SD 3.78Å; I259-M263 HydrophobicContact CG2-CB 4.47Å; I259-M263 HydrophobicContact CG2-SD 4.04Å; I259-M263 WeakPolarHBondContact O-CB 3.36Å; I259-M263 PolarHBondContact O-N 3.06Å; I259-M265 HydrophobicContact CG2-SD 3.57Å; I259-M265 VanDerWaalsContact CG2-SD 3.57Å; I259-A270 HydrophobicContact CB-CB 4.07Å; I259-A270 HydrophobicContact CG2-CB 3.7Å; I259-F273 HydrophobicContact CD1-CD1 3.99Å; I259-F273 HydrophobicContact CD1-CE1 3.63Å; I259-F273 HydrophobicContact CG1-CD1 4.06Å; I259-F273 HydrophobicContact CG1-CE1 4.21Å; I259-F273 HydrophobicContact CG2-CD1 4.03Å; I259-V274 HydrophobicContact CG1-CG2 4.06Å
260	M	98.4	Very high	97.9	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-54.9	-53.5	173.8	-62.4	162.2	68.2	0	0	111.1	I256 R262 D264 M265 L267 A270 L291 E295 I298	I256-M260 HydrophobicContact CG2-CG 4.36Å; I256-M260 HydrophobicContact CG2-SD 3.85Å; I256-M260 VanDerWaalsContact O-CG 3.29Å; I256-M260 WeakPolarHBondContact O-CG 3.45Å; I256-M260 PolarHBondContact O-N 3.25Å; M260-R262 VanDerWaalsContact C-N 3.33Å; M260-R262 PolarHBondContact O-N 2.78Å; M260-D264 PolarHBondContact O-N 3.24Å; M260-M265 WeakPolarHBondContact CA-O 3.27Å; M260-M265 PolarHBondContact O-N 2.89Å; M260-L267 HydrophobicContact CE-CB 3.99Å; M260-L267 HydrophobicContact SD-CB 4.34Å; M260-L267 HydrophobicContact SD-CD1 4.12Å; M260-A270 HydrophobicContact CB-CB 4.47Å; M260-A270 HydrophobicContact CG-CB 3.41Å; M260-A270 VanDerWaalsContact CG-CB 3.41Å; M260-L291 HydrophobicContact SD-CD2 4.15Å; M260-E295 HydrophobicContact CE-CB 3.5Å; M260-E295 HydrophobicContact CE-CG 3.8Å; M260-I298 HydrophobicContact CB-CD1 3.95Å
261	K	96.9	Very high	97.9	Very high	68 Å²	68	27.7 Å²	27.7	30%	0.296	14%	0.137	S	C	.	.	H	α-helix	trans	-66.6	-28.8	-176.5	-170.9	67.5	178.7	-179.8	0	113.7	V227 A257 Y258 I259 Y294 I298	V227-K261 HydrophobicContact CG1-CG 4.08Å; V227-K261 HydrophobicContact CG2-CB 4.3Å; V227-K261 HydrophobicContact CG2-CG 4.39Å; A257-K261 WeakPolarHBondContact O-CB 3.4Å; A257-K261 PolarHBondContact O-N 2.99Å; Y258-K261 PolarHBondContact O-N 3.24Å; I259-K261 PolarHBondContact O-N 3.2Å; K261-Y294 HydrophobicContact CB-CE1 4.36Å; K261-I298 HydrophobicContact CB-CD1 4.15Å; K261-I298 HydrophobicContact CD-CD1 4.11Å; K261-I298 HydrophobicContact CD-CG1 3.77Å; K261-I298 HydrophobicContact CD-CG2 4.42Å
262	R	95.6	Very high	97.8	Very high	44 Å²	44	32.4 Å²	32.4	17%	0.166	15%	0.154	C	C	.	.	H	α-helix	trans	-104.4	-19.9	-174.7	-72.9	-53.9	-43.6	-78	11.3	116.2	E231 Y258 I259 M260 S309	E231-R262 WeakPolarHBondContact OE1-CD 3.43Å; E231-R262 WeakPolarHBondContact OE1-CG 3.49Å; E231-R262 IonicContact OE1-CZ 3.3Å; E231-R262 IonicContact OE1-NE 2.67Å; E231-R262 IonicContact OE1-NH1 2.68Å; E231-R262 PolarHBondContact OE1-NH1 3.2Å; E231-R262 IonicContact OE2-CZ 3.64Å; E231-R262 IonicContact OE2-NH1 3.58Å; E231-R262 PolarHBondContact OE2-NH1 3.49Å; Y258-R262 HydrophobicContact CD2-CG 4.31Å; Y258-R262 HydrophobicContact CE1-CB 4.21Å; Y258-R262 HydrophobicContact CE1-CG 4.03Å; Y258-R262 HydrophobicContact CE2-CG 3.76Å; Y258-R262 WeakPolarHBondContact O-CB 3.19Å; Y258-R262 PolarHBondContact O-N 3.08Å; Y258-R262 PolarHBondContact OH-NH1 3.27Å; I259-R262 PolarHBondContact O-N 3.3Å; M260-R262 VanDerWaalsContact C-N 3.33Å; M260-R262 PolarHBondContact O-N 2.78Å; R262-S309 PolarHBondContact NH2-OG 3.26Å
263	M	94.9	Very high	97.7	Very high	62 Å²	62	34 Å²	34	31%	0.305	16%	0.161	S	C	.	.	H	α-helix	trans	-113.8	5.5	-179.7	-61.3	-178.5	60.7	0	0	113.1	L163 I259 M265 F273	L163-M263 HydrophobicContact CD1-SD 4.44Å; L163-M263 HydrophobicContact CD2-SD 4.13Å; I259-M263 HydrophobicContact CD1-SD 3.78Å; I259-M263 HydrophobicContact CG2-CB 4.47Å; I259-M263 HydrophobicContact CG2-SD 4.04Å; I259-M263 WeakPolarHBondContact O-CB 3.36Å; I259-M263 PolarHBondContact O-N 3.06Å; M263-M265 HydrophobicContact CB-CG 3.99Å; M263-M265 HydrophobicContact CB-SD 3.98Å; M263-M265 HydrophobicContact CE-CE 3.84Å; M263-M265 HydrophobicContact CE-SD 4.25Å; M263-M265 PolarHBondContact O-N 2.85Å; M263-F273 HydrophobicContact CE-CE2 4.24Å; M263-F273 HydrophobicContact CE-CZ 4.29Å; M263-F273 HydrophobicContact SD-CE1 4.4Å; M263-F273 HydrophobicContact SD-CZ 4.25Å
264	D	95.1	Very high	97.7	Very high	97 Å²	97	34 Å²	34	52%	0.519	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	28.2	-179.2	-135.5	2.2	0	0	0	112.4	M260 K308	M260-D264 PolarHBondContact O-N 3.24Å; D264-K308 IonicContact OD2-NZ 3.19Å; D264-K308 PolarHBondContact OD2-NZ 2.85Å
265	M	97.1	Very high	97.6	Very high	49 Å²	49	36.5 Å²	36.5	24%	0.241	17%	0.172	C	C	.	.			trans	-89.7	145.8	-176.1	-78.3	177.8	163.6	0	0	112.1	I259 M260 M263 E269 A270	I259-M265 HydrophobicContact CG2-SD 3.57Å; I259-M265 VanDerWaalsContact CG2-SD 3.57Å; M260-M265 WeakPolarHBondContact CA-O 3.27Å; M260-M265 PolarHBondContact O-N 2.89Å; M263-M265 HydrophobicContact CB-CG 3.99Å; M263-M265 HydrophobicContact CB-SD 3.98Å; M263-M265 HydrophobicContact CE-CE 3.84Å; M263-M265 HydrophobicContact CE-SD 4.25Å; M263-M265 PolarHBondContact O-N 2.85Å; M265-E269 HydrophobicContact CB-CB 4.08Å; M265-E269 HydrophobicContact CG-CB 4.16Å; M265-E269 HydrophobicContact SD-CB 4.43Å; M265-A270 HydrophobicContact CB-CB 4.21Å
266	S	98	Very high	97.3	Very high	29 Å²	29	43 Å²	43	20%	0.203	20%	0.203	C	C	.	.			trans	-64.5	165.7	165.4	65.1	0	0	0	0	112.3	D268 E269 A270 E295	S266-D268 VanDerWaalsContact C-N 3.29Å; S266-D268 PolarHBondContact O-N 2.7Å; S266-E269 VanDerWaalsContact CB-OE2 3.25Å; S266-E269 WeakPolarHBondContact CB-OE2 3.43Å; S266-E269 PolarHBondContact N-OE2 2.91Å; S266-E269 PolarHBondContact O-N 2.88Å; S266-E269 VanDerWaalsContact OG-CD 3.28Å; S266-E269 VanDerWaalsContact OG-CG 3.29Å; S266-E269 WeakPolarHBondContact OG-CG 3.36Å; S266-E269 PolarHBondContact OG-N 2.97Å; S266-E269 PolarHBondContact OG-OE2 3.28Å; S266-A270 VanDerWaalsContact O-CB 3.27Å; S266-A270 WeakPolarHBondContact O-CB 3.3Å; S266-A270 PolarHBondContact O-N 2.92Å; S266-E295 WeakPolarHBondContact CA-OE1 3.34Å; S266-E295 VanDerWaalsContact CB-OE1 3.27Å; S266-E295 WeakPolarHBondContact CB-OE1 3.46Å
267	L	98.3	Very high	97.2	Very high	22 Å²	22	46.7 Å²	46.7	12%	0.115	22%	0.219	C	C	.	.	H	α-helix	trans	-55.6	-43.7	173.3	172.2	53.7	0	0	0	111.9	I256 M260 Y271 L291 L292 E295	I256-L267 HydrophobicContact CG2-CD1 3.85Å; M260-L267 HydrophobicContact CE-CB 3.99Å; M260-L267 HydrophobicContact SD-CB 4.34Å; M260-L267 HydrophobicContact SD-CD1 4.12Å; L267-Y271 WeakPolarHBondContact O-CB 3.44Å; L267-Y271 PolarHBondContact O-N 1.84Å; L267-L291 HydrophobicContact CD1-CB 3.62Å; L267-L291 HydrophobicContact CD1-CD1 3.75Å; L267-L291 HydrophobicContact CD1-CG 4.28Å; L267-L291 HydrophobicContact CD2-CB 4.01Å; L267-L291 HydrophobicContact CG-CB 4.44Å; L267-L292 HydrophobicContact CD2-CB 3.93Å; L267-L292 HydrophobicContact CD2-CD1 4.23Å; L267-E295 PolarHBondContact N-OE1 3.39Å
268	D	97.4	Very high	97	Very high	89 Å²	89	47.1 Å²	47.1	48%	0.476	22%	0.22	S	C	.	.	H	α-helix	trans	-66.2	-46.1	-178.9	176.8	65.8	0	0	0	112.1	S266 Y271 R272	S266-D268 VanDerWaalsContact C-N 3.29Å; S266-D268 PolarHBondContact O-N 2.7Å; D268-Y271 PolarHBondContact O-N 2.78Å; D268-R272 WeakPolarHBondContact O-CB 3.38Å; D268-R272 WeakPolarHBondContact O-CG 3.44Å; D268-R272 PolarHBondContact O-N 2.73Å; D268-R272 IonicContact OD1-NE 3.52Å; D268-R272 IonicContact OD2-CZ 2.79Å; D268-R272 IonicContact OD2-NE 3.88Å; D268-R272 PolarHBondContact OD2-NE 2.87Å; D268-R272 IonicContact OD2-NH2 2.67Å; D268-R272 PolarHBondContact OD2-NH2 2.82Å
269	E	97.7	Very high	96.8	Very high	84 Å²	84	50.2 Å²	50.2	39%	0.393	24%	0.24	S	C	.	.	H	α-helix	trans	-62.7	-46.4	176.8	-68.1	163.3	125.8	0	0	112	M265 S266 R272 F273	M265-E269 HydrophobicContact CB-CB 4.08Å; M265-E269 HydrophobicContact CG-CB 4.16Å; M265-E269 HydrophobicContact SD-CB 4.43Å; S266-E269 VanDerWaalsContact CB-OE2 3.25Å; S266-E269 WeakPolarHBondContact CB-OE2 3.43Å; S266-E269 PolarHBondContact N-OE2 2.91Å; S266-E269 PolarHBondContact O-N 2.88Å; S266-E269 VanDerWaalsContact OG-CD 3.28Å; S266-E269 VanDerWaalsContact OG-CG 3.29Å; S266-E269 WeakPolarHBondContact OG-CG 3.36Å; S266-E269 PolarHBondContact OG-N 2.97Å; S266-E269 PolarHBondContact OG-OE2 3.28Å; E269-R272 VanDerWaalsContact CG-NH2 3.32Å; E269-R272 PolarHBondContact O-N 2.97Å; E269-F273 WeakPolarHBondContact O-CB 3.39Å; E269-F273 PolarHBondContact O-N 3Å
270	A	98.4	Very high	96.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-37.1	178.5	0	0	0	0	0	112.1	I256 I259 M260 M265 S266 V274	I256-A270 HydrophobicContact CG2-CB 3.92Å; I259-A270 HydrophobicContact CB-CB 4.07Å; I259-A270 HydrophobicContact CG2-CB 3.7Å; M260-A270 HydrophobicContact CB-CB 4.47Å; M260-A270 HydrophobicContact CG-CB 3.41Å; M260-A270 VanDerWaalsContact CG-CB 3.41Å; M265-A270 HydrophobicContact CB-CB 4.21Å; S266-A270 VanDerWaalsContact O-CB 3.27Å; S266-A270 WeakPolarHBondContact O-CB 3.3Å; S266-A270 PolarHBondContact O-N 2.92Å; A270-V274 WeakPolarHBondContact O-CG2 3.49Å; A270-V274 PolarHBondContact O-N 2.93Å
271	Y	98.4	Very high	96.5	Very high	34 Å²	34	51 Å²	51	13%	0.133	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-50.5	172.8	-175.1	-81.2	0	0	0	110.7	I256 L267 D268 F273 V274 K275 P283 L288	I256-Y271 HydrophobicContact CD1-CD2 3.7Å; I256-Y271 HydrophobicContact CD1-CE2 4.38Å; I256-Y271 HydrophobicContact CD1-CG 4.35Å; L267-Y271 WeakPolarHBondContact O-CB 3.44Å; L267-Y271 PolarHBondContact O-N 1.84Å; D268-Y271 PolarHBondContact O-N 2.78Å; Y271-F273 PolarHBondContact O-N 2.98Å; Y271-V274 PolarHBondContact O-N 3.12Å; Y271-K275 HydrophobicContact CD1-CB 4.28Å; Y271-K275 HydrophobicContact CE1-CB 4.19Å; Y271-K275 HydrophobicContact CE1-CD 4.28Å; Y271-K275 HydrophobicContact CE1-CG 4.2Å; Y271-K275 WeakPolarHBondContact O-CB 3.45Å; Y271-K275 PolarHBondContact O-N 2.88Å; Y271-P283 HydrophobicContact CE2-CG 4.13Å; Y271-L288 HydrophobicContact CD2-CD2 3.95Å; Y271-L288 HydrophobicContact CE2-CD2 3.97Å
272	R	96.9	Very high	96.5	Very high	98 Å²	98	50.8 Å²	50.8	37%	0.37	25%	0.252	S	S	.	.	H	α-helix	trans	-58.8	-47.8	177.7	-75	-175.1	-76.5	104.6	-6.6	111.8	D268 E269 V274 K275 E276	D268-R272 WeakPolarHBondContact O-CB 3.38Å; D268-R272 WeakPolarHBondContact O-CG 3.44Å; D268-R272 PolarHBondContact O-N 2.73Å; D268-R272 IonicContact OD1-NE 3.52Å; D268-R272 IonicContact OD2-CZ 2.79Å; D268-R272 IonicContact OD2-NE 3.88Å; D268-R272 PolarHBondContact OD2-NE 2.87Å; D268-R272 IonicContact OD2-NH2 2.67Å; D268-R272 PolarHBondContact OD2-NH2 2.82Å; E269-R272 VanDerWaalsContact CG-NH2 3.32Å; E269-R272 PolarHBondContact O-N 2.97Å; R272-V274 VanDerWaalsContact C-N 3.31Å; R272-V274 PolarHBondContact O-N 3.4Å; R272-K275 PolarHBondContact O-N 3.19Å; R272-E276 WeakPolarHBondContact O-CG 3.15Å; R272-E276 PolarHBondContact O-N 2.66Å
273	F	97.4	Very high	96.6	Very high	34 Å²	34	49 Å²	49	15%	0.149	25%	0.246	C	C	.	.	H	α-helix	trans	-56.8	-38.6	178.2	-179.5	-92.6	0	0	0	113.9	I162 L163 I259 M263 E269 Y271 K277	I162-F273 HydrophobicContact CG2-CD1 4.42Å; I162-F273 HydrophobicContact CG2-CE1 3.96Å; L163-F273 HydrophobicContact CD2-CE1 4.19Å; L163-F273 HydrophobicContact CD2-CZ 3.87Å; I259-F273 HydrophobicContact CD1-CD1 3.99Å; I259-F273 HydrophobicContact CD1-CE1 3.63Å; I259-F273 HydrophobicContact CG1-CD1 4.06Å; I259-F273 HydrophobicContact CG1-CE1 4.21Å; I259-F273 HydrophobicContact CG2-CD1 4.03Å; M263-F273 HydrophobicContact CE-CE2 4.24Å; M263-F273 HydrophobicContact CE-CZ 4.29Å; M263-F273 HydrophobicContact SD-CE1 4.4Å; M263-F273 HydrophobicContact SD-CZ 4.25Å; E269-F273 WeakPolarHBondContact O-CB 3.39Å; E269-F273 PolarHBondContact O-N 3Å; Y271-F273 PolarHBondContact O-N 2.98Å; F273-K277 HydrophobicContact CE1-CD 4.28Å; F273-K277 WeakPolarHBondContact O-CE 3.5Å; F273-K277 WeakPolarHBondContact O-CG 3.44Å
274	V	97.9	Very high	96.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-81.1	-33.7	175.9	-173.9	0	0	0	0	111.1	I162 L168 A255 I256 I259 A270 Y271 R272 K277 R278 I281	I162-V274 HydrophobicContact CD1-CG1 3.98Å; I162-V274 HydrophobicContact CG2-CG2 4.17Å; L168-V274 HydrophobicContact CD2-CG1 3.56Å; A255-V274 HydrophobicContact CB-CG1 4.45Å; I256-V274 HydrophobicContact CG1-CB 4.09Å; I256-V274 HydrophobicContact CG1-CG2 3.95Å; I259-V274 HydrophobicContact CG1-CG2 4.06Å; A270-V274 WeakPolarHBondContact O-CG2 3.49Å; A270-V274 PolarHBondContact O-N 2.93Å; Y271-V274 PolarHBondContact O-N 3.12Å; R272-V274 VanDerWaalsContact C-N 3.31Å; R272-V274 PolarHBondContact O-N 3.4Å; V274-K277 PolarHBondContact O-N 3.46Å; V274-R278 PolarHBondContact O-N 3.08Å; V274-I281 HydrophobicContact CB-CD1 3.96Å; V274-I281 HydrophobicContact CG1-CD1 3.84Å
275	K	96.8	Very high	96.6	Very high	54 Å²	54	50.4 Å²	50.4	24%	0.235	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-41.2	178.5	-174.9	67	167.5	179.1	0	112.9	Y271 R272 K277 R278 P279 I281	Y271-K275 HydrophobicContact CD1-CB 4.28Å; Y271-K275 HydrophobicContact CE1-CB 4.19Å; Y271-K275 HydrophobicContact CE1-CD 4.28Å; Y271-K275 HydrophobicContact CE1-CG 4.2Å; Y271-K275 WeakPolarHBondContact O-CB 3.45Å; Y271-K275 PolarHBondContact O-N 2.88Å; R272-K275 PolarHBondContact O-N 3.19Å; K275-K277 VanDerWaalsContact C-N 3.28Å; K275-K277 PolarHBondContact O-N 3.23Å; K275-R278 CarbonylContact O-C 3.52Å; K275-R278 PolarHBondContact O-N 3.03Å; K275-P279 WeakPolarHBondContact CE-O 3.43Å; K275-P279 PolarHBondContact NZ-O 3.17Å; K275-P279 VanDerWaalsContact O-CA 3.25Å; K275-P279 WeakPolarHBondContact O-CA 3.15Å; K275-P279 VanDerWaalsContact O-N 3.1Å; K275-I281 HydrophobicContact CB-CD1 4.02Å; K275-I281 HydrophobicContact CB-CG1 4.15Å; K275-I281 HydrophobicContact CD-CD1 4.33Å; K275-I281 HydrophobicContact CD-CG1 3.56Å; K275-I281 HydrophobicContact CG-CG1 4.48Å; K275-I281 PolarHBondContact NZ-O 3.3Å
276	E	94.4	Very high	96.6	Very high	137 Å²	137	49.8 Å²	49.8	64%	0.64	25%	0.245	S	C	*	.	H	α-helix	trans	-59.5	-39.9	174.9	-73.8	160.3	-155.8	0	0	111.5	R272	R272-E276 WeakPolarHBondContact O-CG 3.15Å; R272-E276 PolarHBondContact O-N 2.66Å
277	K	95.1	Very high	96.7	Very high	78 Å²	78	48.4 Å²	48.4	34%	0.339	24%	0.235	S	C	.	.	H	α-helix	trans	-77.9	-38.5	179.1	-60.6	178.9	-162.2	-53.1	0	112.3	T160 I162 F273 V274 K275	T160-K277 HydrophobicContact CG2-CB 3.95Å; T160-K277 WeakPolarHBondContact CG2-O 3.44Å; I162-K277 HydrophobicContact CD1-CB 4.02Å; I162-K277 HydrophobicContact CD1-CD 4.18Å; I162-K277 HydrophobicContact CG2-CD 4.47Å; I162-K277 WeakPolarHBondContact O-CE 3.35Å; F273-K277 HydrophobicContact CE1-CD 4.28Å; F273-K277 WeakPolarHBondContact O-CE 3.5Å; F273-K277 WeakPolarHBondContact O-CG 3.44Å; V274-K277 PolarHBondContact O-N 3.46Å; K275-K277 VanDerWaalsContact C-N 3.28Å; K275-K277 PolarHBondContact O-N 3.23Å
278	R	95.3	Very high	96.7	Very high	9 Å²	9	49.4 Å²	49.4	3%	0.034	24%	0.24	C	C	.	.			trans	-128.6	85.2	179.2	-167.2	173.5	179.8	90.1	-2.3	110.4	T160 L168 G247 V274 K275 T280 I281	T160-R278 HydrophobicContact CG2-CB 4.04Å; T160-R278 WeakPolarHBondContact OG1-CD 3.31Å; T160-R278 PolarHBondContact OG1-NH1 3.46Å; L168-R278 PolarHBondContact O-NH1 3.36Å; G247-R278 PolarHBondContact O-NE 2.97Å; V274-R278 PolarHBondContact O-N 3.08Å; K275-R278 CarbonylContact O-C 3.52Å; K275-R278 PolarHBondContact O-N 3.03Å; R278-T280 PolarHBondContact O-N 3.15Å; R278-I281 HydrophobicContact CB-CG2 3.94Å; R278-I281 HydrophobicContact CG-CG2 3.92Å; R278-I281 PolarHBondContact O-N 3.02Å
279	P	93.4	Very high	96.7	Very high	65 Å²	65	46.7 Å²	46.7	42%	0.422	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.9	-176	-30.1	37.4	0	0	0	115.2	K275 I281	K275-P279 WeakPolarHBondContact CE-O 3.43Å; K275-P279 PolarHBondContact NZ-O 3.17Å; K275-P279 VanDerWaalsContact O-CA 3.25Å; K275-P279 WeakPolarHBondContact O-CA 3.15Å; K275-P279 VanDerWaalsContact O-N 3.1Å; P279-I281 VanDerWaalsContact C-N 3.35Å; P279-I281 PolarHBondContact O-N 3.26Å
280	T	94.1	Very high	96.7	Very high	17 Å²	17	43.7 Å²	43.7	10%	0.104	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-1.4	178.9	64.8	0	0	0	0	114.8	V154 N156 R278	V154-T280 HydrophobicContact CB-CG2 4.48Å; N156-T280 WeakPolarHBondContact ND2-CG2 3.49Å; N156-T280 PolarHBondContact ND2-OG1 3.38Å; R278-T280 PolarHBondContact O-N 3.15Å
281	I	97.6	Very high	96.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.			trans	-67.2	141.4	177.5	69.4	167.9	0	0	0	111.6	L168 I248 A252 I256 V274 K275 R278 P279	L168-I281 HydrophobicContact CD2-CG2 3.88Å; I248-I281 WeakPolarHBondContact O-CA 3.37Å; A252-I281 HydrophobicContact CB-CB 3.76Å; A252-I281 HydrophobicContact CB-CD1 4.41Å; A252-I281 HydrophobicContact CB-CG2 3.58Å; I256-I281 HydrophobicContact CD1-CD1 4.11Å; V274-I281 HydrophobicContact CB-CD1 3.96Å; V274-I281 HydrophobicContact CG1-CD1 3.84Å; K275-I281 HydrophobicContact CB-CD1 4.02Å; K275-I281 HydrophobicContact CB-CG1 4.15Å; K275-I281 HydrophobicContact CD-CD1 4.33Å; K275-I281 HydrophobicContact CD-CG1 3.56Å; K275-I281 HydrophobicContact CG-CG1 4.48Å; K275-I281 PolarHBondContact NZ-O 3.3Å; R278-I281 HydrophobicContact CB-CG2 3.94Å; R278-I281 HydrophobicContact CG-CG2 3.92Å; R278-I281 PolarHBondContact O-N 3.02Å; P279-I281 VanDerWaalsContact C-N 3.35Å; P279-I281 PolarHBondContact O-N 3.26Å
282	S	97	Very high	96.7	Very high	65 Å²	65	45.9 Å²	45.9	46%	0.455	23%	0.233	S	C	.	.			trans	-158.8	75.6	173.4	-169.7	0	0	0	0	109.7	I248 S249 N284	I248-S282 CarbonylContact O-C 3.57Å; I248-S282 PolarHBondContact O-N 3.07Å; S249-S282 WeakPolarHBondContact CB-O 3.25Å; S282-N284 PolarHBondContact O-N 3.11Å
283	P	97.9	Very high	96.8	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.032	24%	0.235	C	C	.	.			trans	-44.5	134.3	161.8	-28.5	34.7	0	0	0	111.9	A252 I256 Y271 L288	A252-P283 HydrophobicContact CB-CG 4.2Å; I256-P283 HydrophobicContact CD1-CG 3.92Å; Y271-P283 HydrophobicContact CE2-CG 4.13Å; P283-L288 HydrophobicContact CB-CD2 3.89Å; P283-L288 HydrophobicContact CB-CG 4.08Å; P283-L288 HydrophobicContact CG-CD2 4.38Å
284	N	94.8	Very high	96.8	Very high	22 Å²	22	43.1 Å²	43.1	12%	0.118	23%	0.228	C	C	.	.			trans	-67.2	157.5	174.6	72.8	54.5	0	0	0	111.2	D213 F215 S249 S282 N286 F287 L288	D213-N284 PolarHBondContact OD1-ND2 2.96Å; D213-N284 VanDerWaalsContact OD1-ND2 3.14Å; F215-N284 HydrophobicContact CE1-CB 4.24Å; S249-N284 PolarHBondContact OG-N 2.98Å; S282-N284 PolarHBondContact O-N 3.11Å; N284-N286 VanDerWaalsContact C-N 3.27Å; N284-N286 PolarHBondContact O-N 3.41Å; N284-N286 WeakPolarHBondContact OD1-CB 3.38Å; N284-N286 PolarHBondContact OD1-N 3.13Å; N284-F287 WeakPolarHBondContact ND2-CD2 3.35Å; N284-F287 WeakPolarHBondContact ND2-CE2 3.47Å; N284-F287 PolarHBondContact O-N 3.15Å; N284-F287 PolarHBondContact OD1-N 2.92Å; N284-L288 PolarHBondContact O-N 3.45Å
285	F	95.3	Very high	96.8	Very high	167 Å²	167	44.4 Å²	44.4	73%	0.732	23%	0.234	S	C	*	.	H	α-helix	trans	-60.2	-31.2	-173.6	-67	-66.5	0	0	0	114.5	F215 L288 G289	F215-F285 HydrophobicContact CE1-CB 4.4Å; F215-F285 HydrophobicContact CE1-CD2 4.39Å; F285-L288 HydrophobicContact CD1-CD1 4.16Å; F285-L288 PolarHBondContact O-N 3.15Å; F285-G289 PolarHBondContact O-N 3.12Å
286	N	97.4	Very high	96.9	Very high	37 Å²	37	46.6 Å²	46.6	20%	0.198	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-42.5	173.7	164	44.9	0	0	0	111.2	S214 F215 E217 N284 G289 Q290	S214-N286 PolarHBondContact O-ND2 2.98Å; F215-N286 HydrophobicContact CB-CB 4.41Å; F215-N286 HydrophobicContact CD1-CB 4.29Å; F215-N286 VanDerWaalsContact O-CG 3.31Å; F215-N286 PolarHBondContact O-ND2 2.82Å; E217-N286 PolarHBondContact O-ND2 2.93Å; N284-N286 VanDerWaalsContact C-N 3.27Å; N284-N286 PolarHBondContact O-N 3.41Å; N284-N286 WeakPolarHBondContact OD1-CB 3.38Å; N284-N286 PolarHBondContact OD1-N 3.13Å; N286-G289 PolarHBondContact O-N 2.9Å; N286-Q290 VanDerWaalsContact CG-NE2 3.34Å; N286-Q290 PolarHBondContact ND2-NE2 2.84Å; N286-Q290 WeakPolarHBondContact O-CG 3.45Å; N286-Q290 PolarHBondContact O-N 3.26Å; N286-Q290 PolarHBondContact OD1-NE2 2.87Å
287	F	98.5	Very high	96.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-70.3	-32.1	174.9	-64.6	-17.1	0	0	0	113.4	N212 E217 I219 S249 R250 T253 N284 Q290 L291	N212-F287 WeakPolarHBondContact O-CZ 3.48Å; E217-F287 HydrophobicContact CB-CE1 3.95Å; E217-F287 HydrophobicContact CB-CZ 4.06Å; E217-F287 HydrophobicContact CG-CE1 4.2Å; E217-F287 HydrophobicContact CG-CZ 4.14Å; I219-F287 HydrophobicContact CB-CD1 4.13Å; I219-F287 HydrophobicContact CB-CE1 3.96Å; I219-F287 HydrophobicContact CG2-CB 4.45Å; I219-F287 HydrophobicContact CG2-CD1 3.45Å; I219-F287 VanDerWaalsContact CG2-CD1 3.45Å; I219-F287 HydrophobicContact CG2-CE1 3.81Å; I219-F287 HydrophobicContact CG2-CG 3.98Å; S249-F287 WeakPolarHBondContact OG-CD2 3.49Å; R250-F287 HydrophobicContact CG-CE2 3.57Å; R250-F287 HydrophobicContact CG-CZ 4.11Å; T253-F287 HydrophobicContact CG2-CB 3.86Å; T253-F287 HydrophobicContact CG2-CG 4.37Å; N284-F287 WeakPolarHBondContact ND2-CD2 3.35Å; N284-F287 WeakPolarHBondContact ND2-CE2 3.47Å; N284-F287 PolarHBondContact O-N 3.15Å; N284-F287 PolarHBondContact OD1-N 2.92Å; F287-Q290 PolarHBondContact O-N 2.95Å; F287-L291 WeakPolarHBondContact O-CB 3.44Å; F287-L291 VanDerWaalsContact O-CG 3.31Å; F287-L291 WeakPolarHBondContact O-CG 3.44Å; F287-L291 PolarHBondContact O-N 3.02Å
288	L	98.3	Very high	96.9	Very high	42 Å²	42	41 Å²	41	22%	0.22	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-41.4	171.2	-67.6	174.4	0	0	0	111.8	Y271 P283 N284 F285 L291 L292	Y271-L288 HydrophobicContact CD2-CD2 3.95Å; Y271-L288 HydrophobicContact CE2-CD2 3.97Å; P283-L288 HydrophobicContact CB-CD2 3.89Å; P283-L288 HydrophobicContact CB-CG 4.08Å; P283-L288 HydrophobicContact CG-CD2 4.38Å; N284-L288 PolarHBondContact O-N 3.45Å; F285-L288 HydrophobicContact CD1-CD1 4.16Å; F285-L288 PolarHBondContact O-N 3.15Å; L288-L291 HydrophobicContact CD2-CD1 4.43Å; L288-L291 PolarHBondContact O-N 2.68Å; L288-L292 PolarHBondContact O-N 2.89Å
289	G	97.9	Very high	96.7	Very high	33 Å²	33	46.2 Å²	46.2	34%	0.34	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-46.4	172.3	0	0	0	0	0	112.5	F285 N286 L291 L292 D293	F285-G289 PolarHBondContact O-N 3.12Å; N286-G289 PolarHBondContact O-N 2.9Å; G289-L291 VanDerWaalsContact C-N 3.31Å; G289-L291 PolarHBondContact O-N 2.79Å; G289-L292 WeakPolarHBondContact O-CB 3.36Å; G289-L292 PolarHBondContact O-N 3.36Å; G289-D293 PolarHBondContact O-N 3.04Å
290	Q	98.6	Very high	96.3	Very high	20 Å²	20	49.4 Å²	49.4	9%	0.093	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-32.4	175.8	-78.4	178.8	64.7	0	0	113.4	E217 L220 N286 F287 Y294	E217-Q290 PolarHBondContact O-NE2 2.86Å; L220-Q290 HydrophobicContact CB-CB 4.13Å; L220-Q290 HydrophobicContact CB-CG 4.18Å; N286-Q290 VanDerWaalsContact CG-NE2 3.34Å; N286-Q290 PolarHBondContact ND2-NE2 2.84Å; N286-Q290 WeakPolarHBondContact O-CG 3.45Å; N286-Q290 PolarHBondContact O-N 3.26Å; N286-Q290 PolarHBondContact OD1-NE2 2.87Å; F287-Q290 PolarHBondContact O-N 2.95Å; Q290-Y294 PolarHBondContact O-N 2.95Å
291	L	98.6	Very high	95.6	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-69.2	-36.2	170.8	-75.2	171.4	0	0	0	112.3	L223 T253 I256 A257 M260 L267 F287 L288 G289 D293 Y294 E295	L223-L291 HydrophobicContact CD1-CD2 4.18Å; T253-L291 HydrophobicContact CG2-CD1 3.79Å; T253-L291 HydrophobicContact CG2-CD2 4.01Å; T253-L291 HydrophobicContact CG2-CG 3.79Å; I256-L291 HydrophobicContact CB-CD1 4.18Å; I256-L291 HydrophobicContact CG2-CD1 3.85Å; I256-L291 HydrophobicContact CG2-CD2 4.45Å; A257-L291 HydrophobicContact CB-CD2 3.65Å; M260-L291 HydrophobicContact SD-CD2 4.15Å; L267-L291 HydrophobicContact CD1-CB 3.62Å; L267-L291 HydrophobicContact CD1-CD1 3.75Å; L267-L291 HydrophobicContact CD1-CG 4.28Å; L267-L291 HydrophobicContact CD2-CB 4.01Å; L267-L291 HydrophobicContact CG-CB 4.44Å; F287-L291 WeakPolarHBondContact O-CB 3.44Å; F287-L291 VanDerWaalsContact O-CG 3.31Å; F287-L291 WeakPolarHBondContact O-CG 3.44Å; F287-L291 PolarHBondContact O-N 3.02Å; L288-L291 HydrophobicContact CD2-CD1 4.43Å; L288-L291 PolarHBondContact O-N 2.68Å; G289-L291 VanDerWaalsContact C-N 3.31Å; G289-L291 PolarHBondContact O-N 2.79Å; L291-D293 VanDerWaalsContact C-N 3.3Å; L291-D293 PolarHBondContact O-N 3.39Å; L291-Y294 CarbonylContact O-C 3.44Å; L291-Y294 WeakPolarHBondContact O-CA 3.5Å; L291-Y294 WeakPolarHBondContact O-CB 3.36Å; L291-Y294 PolarHBondContact O-N 3.32Å; L291-Y294 VanDerWaalsContact O-N 3.14Å; L291-E295 PolarHBondContact O-N 2.92Å
292	L	98.2	Very high	93.9	Very high	79 Å²	79	55.6 Å²	55.6	41%	0.414	29%	0.286	S	S	.	.	H	α-helix	trans	-66	-35.5	175.7	-171.3	66.6	0	0	0	111.2	L267 L288 G289 E295 K296	L267-L292 HydrophobicContact CD2-CB 3.93Å; L267-L292 HydrophobicContact CD2-CD1 4.23Å; L288-L292 PolarHBondContact O-N 2.89Å; G289-L292 WeakPolarHBondContact O-CB 3.36Å; G289-L292 PolarHBondContact O-N 3.36Å; L292-E295 WeakPolarHBondContact O-CB 3.35Å; L292-E295 PolarHBondContact O-N 2.83Å; L292-K296 WeakPolarHBondContact O-CG 3.33Å; L292-K296 PolarHBondContact O-N 3.06Å
293	D	98.3	Very high	92	Very high	75 Å²	75	56 Å²	56	40%	0.401	30%	0.3	S	S	.	.	H	α-helix	trans	-69.9	-34.4	170.1	-69.2	-29.3	0	0	0	112.6	L220 G289 L291 E295 K296 K297	L220-D293 HydrophobicContact CD2-CB 4.19Å; G289-D293 PolarHBondContact O-N 3.04Å; L291-D293 VanDerWaalsContact C-N 3.3Å; L291-D293 PolarHBondContact O-N 3.39Å; D293-E295 VanDerWaalsContact C-N 3.34Å; D293-K296 PolarHBondContact O-N 3.1Å; D293-K296 IonicContact OD1-NZ 3.62Å; D293-K296 PolarHBondContact OD1-NZ 3.11Å; D293-K297 PolarHBondContact O-N 3.46Å
294	Y	98.4	Very high	89.6	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-38.2	171.5	-163.4	-122.9	0	0	0	112	L220 L223 D224 A257 K261 Q290 L291 K296 K297 I298	L220-Y294 HydrophobicContact CD1-CD2 3.73Å; L220-Y294 HydrophobicContact CD1-CG 4.18Å; L223-Y294 HydrophobicContact CB-CD2 4.22Å; L223-Y294 HydrophobicContact CB-CE1 4.27Å; L223-Y294 HydrophobicContact CB-CE2 3.95Å; L223-Y294 HydrophobicContact CD1-CD1 3.89Å; L223-Y294 HydrophobicContact CD1-CD2 3.95Å; L223-Y294 HydrophobicContact CD1-CE1 4.42Å; L223-Y294 HydrophobicContact CD1-CE2 4.49Å; L223-Y294 HydrophobicContact CD1-CG 3.64Å; D224-Y294 VanDerWaalsContact OD1-CE2 3.23Å; D224-Y294 WeakPolarHBondContact OD1-CE2 3.38Å; D224-Y294 PolarHBondContact OD1-OH 2.98Å; A257-Y294 HydrophobicContact CB-CD1 3.92Å; A257-Y294 HydrophobicContact CB-CE1 3.9Å; K261-Y294 HydrophobicContact CB-CE1 4.36Å; Q290-Y294 PolarHBondContact O-N 2.95Å; L291-Y294 CarbonylContact O-C 3.44Å; L291-Y294 WeakPolarHBondContact O-CA 3.5Å; L291-Y294 WeakPolarHBondContact O-CB 3.36Å; L291-Y294 PolarHBondContact O-N 3.32Å; L291-Y294 VanDerWaalsContact O-N 3.14Å; Y294-K296 PolarHBondContact O-N 3.03Å; Y294-K297 HydrophobicContact CD2-CD 4.23Å; Y294-K297 HydrophobicContact CE2-CD 4.34Å; Y294-K297 WeakPolarHBondContact O-CB 3.48Å; Y294-K297 PolarHBondContact O-N 3.42Å; Y294-I298 HydrophobicContact CD1-CD1 3.69Å; Y294-I298 HydrophobicContact CD1-CG1 4.31Å; Y294-I298 HydrophobicContact CE1-CD1 3.63Å; Y294-I298 HydrophobicContact CE1-CG1 4.14Å; Y294-I298 HydrophobicContact CG-CD1 4.41Å; Y294-I298 VanDerWaalsContact O-CG1 3.31Å; Y294-I298 WeakPolarHBondContact O-CG1 3.36Å; Y294-I298 PolarHBondContact O-N 3.29Å
295	E	97.9	Very high	87.2	Confident	27 Å²	27	63.8 Å²	63.8	13%	0.126	36%	0.361	C	S	.	.	H	α-helix	trans	-59.8	-46.6	175.2	-159.6	-161.4	-108.2	0	0	111.9	M260 S266 L267 L291 L292 D293 K297 I298 K299	M260-E295 HydrophobicContact CE-CB 3.5Å; M260-E295 HydrophobicContact CE-CG 3.8Å; S266-E295 WeakPolarHBondContact CA-OE1 3.34Å; S266-E295 VanDerWaalsContact CB-OE1 3.27Å; S266-E295 WeakPolarHBondContact CB-OE1 3.46Å; L267-E295 PolarHBondContact N-OE1 3.39Å; L291-E295 PolarHBondContact O-N 2.92Å; L292-E295 WeakPolarHBondContact O-CB 3.35Å; L292-E295 PolarHBondContact O-N 2.83Å; D293-E295 VanDerWaalsContact C-N 3.34Å; E295-K297 VanDerWaalsContact C-N 3.32Å; E295-K297 PolarHBondContact O-N 3.35Å; E295-I298 PolarHBondContact O-N 2.87Å; E295-K299 VanDerWaalsContact CD-NZ 3.27Å; E295-K299 HydrophobicContact CG-CD 4.28Å; E295-K299 WeakPolarHBondContact O-CG 3.35Å; E295-K299 PolarHBondContact O-N 2.87Å; E295-K299 IonicContact OE1-NZ 2.63Å; E295-K299 WeakPolarHBondContact OE2-CE 3.31Å; E295-K299 IonicContact OE2-NZ 2.68Å; E295-K299 PolarHBondContact OE2-NZ 3.48Å
296	K	97	Very high	84.4	Confident	100 Å²	100	58.6 Å²	58.6	44%	0.435	36%	0.355	S	S	.	.	H	α-helix	trans	-58.4	-45	174.3	-60.7	164.9	-157.2	167.2	0	110.8	L292 D293 Y294 I298 K299 N300	L292-K296 WeakPolarHBondContact O-CG 3.33Å; L292-K296 PolarHBondContact O-N 3.06Å; D293-K296 PolarHBondContact O-N 3.1Å; D293-K296 IonicContact OD1-NZ 3.62Å; D293-K296 PolarHBondContact OD1-NZ 3.11Å; Y294-K296 PolarHBondContact O-N 3.03Å; K296-I298 PolarHBondContact O-N 3.06Å; K296-K299 PolarHBondContact O-N 3.48Å; K296-N300 WeakPolarHBondContact O-CB 3.48Å; K296-N300 VanDerWaalsContact O-CG 3.23Å; K296-N300 PolarHBondContact O-N 3.13Å; K296-N300 PolarHBondContact O-OD1 3.31Å
297	K	96.3	Very high	82	Confident	85 Å²	85	63.2 Å²	63.2	37%	0.37	39%	0.386	S	S	.	.	H	α-helix	trans	-60.1	-43.2	177	-169.7	-174.2	-177.6	-173.9	0	112	D224 D293 Y294 E295 Q301	D224-K297 IonicContact OD2-NZ 3.05Å; D224-K297 PolarHBondContact OD2-NZ 3.02Å; D293-K297 PolarHBondContact O-N 3.46Å; Y294-K297 HydrophobicContact CD2-CD 4.23Å; Y294-K297 HydrophobicContact CE2-CD 4.34Å; Y294-K297 WeakPolarHBondContact O-CB 3.48Å; Y294-K297 PolarHBondContact O-N 3.42Å; E295-K297 VanDerWaalsContact C-N 3.32Å; E295-K297 PolarHBondContact O-N 3.35Å; K297-Q301 VanDerWaalsContact O-CG 3.27Å; K297-Q301 WeakPolarHBondContact O-CG 3.26Å; K297-Q301 PolarHBondContact O-N 3.06Å; K297-Q301 VanDerWaalsContact O-N 3.16Å
298	I	94.8	Very high	79.3	Confident	13 Å²	13	69.4 Å²	69.4	7%	0.067	41%	0.414	C	S	.	.	H	α-helix	trans	-63.3	-52.5	176.1	-65.4	164.9	0	0	0	110.3	M260 K261 Y294 E295 K296 N300 Q301 T302	M260-I298 HydrophobicContact CB-CD1 3.95Å; K261-I298 HydrophobicContact CB-CD1 4.15Å; K261-I298 HydrophobicContact CD-CD1 4.11Å; K261-I298 HydrophobicContact CD-CG1 3.77Å; K261-I298 HydrophobicContact CD-CG2 4.42Å; Y294-I298 HydrophobicContact CD1-CD1 3.69Å; Y294-I298 HydrophobicContact CD1-CG1 4.31Å; Y294-I298 HydrophobicContact CE1-CD1 3.63Å; Y294-I298 HydrophobicContact CE1-CG1 4.14Å; Y294-I298 HydrophobicContact CG-CD1 4.41Å; Y294-I298 VanDerWaalsContact O-CG1 3.31Å; Y294-I298 WeakPolarHBondContact O-CG1 3.36Å; Y294-I298 PolarHBondContact O-N 3.29Å; E295-I298 PolarHBondContact O-N 2.87Å; K296-I298 PolarHBondContact O-N 3.06Å; I298-N300 VanDerWaalsContact C-N 3.29Å; I298-N300 PolarHBondContact O-N 2.67Å; I298-Q301 WeakPolarHBondContact O-CA 3.37Å; I298-Q301 WeakPolarHBondContact O-CB 3.43Å; I298-Q301 PolarHBondContact O-N 2.86Å; I298-T302 PolarHBondContact O-N 3.48Å; I298-T302 PolarHBondContact O-OG1 3.39Å
299	K	90.6	Very high	76.7	Confident	118 Å²	118	71 Å²	71	51%	0.513	43%	0.428	S	S	.	.	H	α-helix	trans	-57	-42.8	-177.3	-73.9	172.1	174.7	175.7	0	111.9	E295 K296 Q301 T302 G303	E295-K299 VanDerWaalsContact CD-NZ 3.27Å; E295-K299 HydrophobicContact CG-CD 4.28Å; E295-K299 WeakPolarHBondContact O-CG 3.35Å; E295-K299 PolarHBondContact O-N 2.87Å; E295-K299 IonicContact OE1-NZ 2.63Å; E295-K299 WeakPolarHBondContact OE2-CE 3.31Å; E295-K299 IonicContact OE2-NZ 2.68Å; E295-K299 PolarHBondContact OE2-NZ 3.48Å; K296-K299 PolarHBondContact O-N 3.48Å; K299-Q301 VanDerWaalsContact C-N 3.34Å; K299-Q301 PolarHBondContact O-N 2.92Å; K299-T302 PolarHBondContact O-N 3.08Å; K299-G303 PolarHBondContact O-N 3.18Å
300	N	86	Confident	73.9	Confident	132 Å²	132	78.6 Å²	78.6	71%	0.706	45%	0.452	S	S	*	.	H	α-helix	trans	-67.3	-31.7	176.6	-66.5	2.3	0	0	0	113	K296 I298	K296-N300 WeakPolarHBondContact O-CB 3.48Å; K296-N300 VanDerWaalsContact O-CG 3.23Å; K296-N300 PolarHBondContact O-N 3.13Å; K296-N300 PolarHBondContact O-OD1 3.31Å; I298-N300 VanDerWaalsContact C-N 3.29Å; I298-N300 PolarHBondContact O-N 2.67Å
301	Q	78	Confident	71.1	Confident	82 Å²	82	83.3 Å²	83.3	38%	0.383	48%	0.477	S	S	.	.	H	α-helix	trans	-75.5	-38.3	174.5	-74.1	175	-10.8	0	0	112.7	K297 I298 K299 G303 A304	K297-Q301 VanDerWaalsContact O-CG 3.27Å; K297-Q301 WeakPolarHBondContact O-CG 3.26Å; K297-Q301 PolarHBondContact O-N 3.06Å; K297-Q301 VanDerWaalsContact O-N 3.16Å; I298-Q301 WeakPolarHBondContact O-CA 3.37Å; I298-Q301 WeakPolarHBondContact O-CB 3.43Å; I298-Q301 PolarHBondContact O-N 2.86Å; K299-Q301 VanDerWaalsContact C-N 3.34Å; K299-Q301 PolarHBondContact O-N 2.92Å; Q301-G303 PolarHBondContact O-N 3.11Å; Q301-A304 CarbonylContact O-C 3.6Å; Q301-A304 PolarHBondContact O-N 2.91Å
302	T	62.7	Low	68	Low	64 Å²	64	92.5 Å²	92.5	39%	0.393	52%	0.517	S	S	.	.	H	α-helix	trans	-65.4	-19.9	-179.4	-58.9	0	0	0	0	112.6	I298 K299 A304	I298-T302 PolarHBondContact O-N 3.48Å; I298-T302 PolarHBondContact O-OG1 3.39Å; K299-T302 PolarHBondContact O-N 3.08Å; T302-A304 PolarHBondContact O-N 3.24Å
303	G	57.7	Low	65	Low	74 Å²	74	96 Å²	96	76%	0.763	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-12.7	168.7	0	0	0	0	0	115	K299 Q301	K299-G303 PolarHBondContact O-N 3.18Å; Q301-G303 PolarHBondContact O-N 3.11Å
304	A	47.3	Very low	61.9	Low	67 Å²	67	100.3 Å²	100.3	55%	0.554	56%	0.557	S	S	*	*	S	Bend	trans	-127.2	78.9	-177.9	0	0	0	0	0	111.8	Q301 T302	Q301-A304 CarbonylContact O-C 3.6Å; Q301-A304 PolarHBondContact O-N 2.91Å; T302-A304 PolarHBondContact O-N 3.24Å
305	S	43.1	Very low	58.7	Low	123 Å²	123	107.7 Å²	107.7	86%	0.86	59%	0.591	S	S	*	*			trans	44.9	105.3	160.7	60.7	0	0	0	0	118.8
306	G	37.8	Very low	55.9	Low	59 Å²	59	114.6 Å²	114.6	61%	0.608	63%	0.628	S	S	*	*			trans	-160	144.4	165.5	0	0	0	0	0	113	K308	G306-K308 PolarHBondContact O-N 3.14Å
307	P	45.3	Very low	52.7	Low	133 Å²	133	117.8 Å²	117.8	86%	0.864	65%	0.645	S	S	*	*			trans	-72.9	116.1	-170.8	27.6	-34.1	0	0	0	112.8	S309	P307-S309 PolarHBondContact O-N 3.17Å; P307-S309 VanDerWaalsContact O-N 3.14Å
308	K	42	Very low	49.6	Very low	131 Å²	131	123.3 Å²	123.3	57%	0.57	67%	0.669	S	S	*	*			trans	-74.8	101.1	180	-64.4	-160.7	177.7	-162.2	0	112	D264 G306 K310	D264-K308 IonicContact OD2-NZ 3.19Å; D264-K308 PolarHBondContact OD2-NZ 2.85Å; G306-K308 PolarHBondContact O-N 3.14Å; K308-K310 VanDerWaalsContact C-N 3.32Å; K308-K310 PolarHBondContact O-N 3.33Å
309	S	44.4	Very low	46.5	Very low	74 Å²	74	128.1 Å²	128.1	52%	0.517	70%	0.701	S	S	.	*			trans	-72.9	81.1	170.5	37.8	0	0	0	0	111.4	R262 P307 L311	R262-S309 PolarHBondContact NH2-OG 3.26Å; P307-S309 PolarHBondContact O-N 3.17Å; P307-S309 VanDerWaalsContact O-N 3.14Å; S309-L311 PolarHBondContact O-N 3.31Å
310	K	38.2	Very low	43.6	Very low	194 Å²	194	130.2 Å²	130.2	84%	0.843	72%	0.717	S	S	*	*			trans	-60.9	99.2	178.4	-75.9	-176	174.6	179.3	0	112	K308 K312	K308-K310 VanDerWaalsContact C-N 3.32Å; K308-K310 PolarHBondContact O-N 3.33Å; K310-K312 PolarHBondContact O-N 3.35Å; K310-K312 VanDerWaalsContact O-N 3.07Å
311	L	40.6	Very low	41.1	Very low	119 Å²	119	131 Å²	131	62%	0.623	72%	0.722	S	S	*	*			trans	-72	94.2	158.6	-76.5	167.4	0	0	0	108.5	S309 L313	S309-L311 PolarHBondContact O-N 3.31Å; L311-L313 PolarHBondContact O-N 2.79Å
312	K	33.6	Very low	39	Very low	194 Å²	194	132.9 Å²	132.9	84%	0.843	74%	0.741	S	S	*	*			trans	-70.9	111.7	175.7	-164.2	178.3	-175.5	-173.7	0	108.5	K310 L314	K310-K312 PolarHBondContact O-N 3.35Å; K310-K312 VanDerWaalsContact O-N 3.07Å; K312-L314 PolarHBondContact O-N 3.14Å
313	L	34.8	Very low	37.6	Very low	151 Å²	151	136.1 Å²	136.1	79%	0.791	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-58.9	125.2	173.4	-167.1	82	0	0	0	108.6	L311 H315	L311-L313 PolarHBondContact O-N 2.79Å; L313-H315 PolarHBondContact O-N 3.48Å
314	L	33.8	Very low	36.6	Very low	167 Å²	167	138.2 Å²	138.2	87%	0.874	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-73.2	120.1	174.3	-72.8	174.3	0	0	0	108.9	K312	K312-L314 PolarHBondContact O-N 3.14Å
315	H	31.9	Very low	35.7	Very low	155 Å²	155	139.8 Å²	139.8	72%	0.718	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-82.9	145.1	177.8	-152.5	80.7	0	0	0	110	L313	L313-H315 PolarHBondContact O-N 3.48Å
316	L	38.7	Very low	35	Very low	172 Å²	172	140.9 Å²	140.9	90%	0.901	78%	0.775	S	S	*	*			trans	-106.9	88.2	-178	-179.8	73.9	0	0	0	109.7
317	E	30	Very low	34.6	Very low	167 Å²	167	143.8 Å²	143.8	78%	0.78	79%	0.786	S	S	*	*			trans	-137.6	158.5	169.1	-79.1	-155.8	115.4	0	0	112.8
318	K	30.7	Very low	33.9	Very low	200 Å²	200	147 Å²	147	87%	0.87	79%	0.789	S	S	*	*			trans	-88.6	153.7	176.6	-71.1	176.4	176.6	176.8	0	110
319	P	30.1	Very low	33.1	Very low	114 Å²	114	144.8 Å²	144.8	74%	0.74	80%	0.804	S	S	*	*			trans	-74.6	144	179	31.6	-35.7	0	0	0	112.5
320	N	27.9	Very low	32.3	Very low	162 Å²	162	145 Å²	145	87%	0.866	82%	0.817	S	S	*	*			trans	-163.8	130.4	139.8	-97.1	-18	0	0	0	108.2
321	D	34.5	Very low	31.9	Very low	148 Å²	148	143.5 Å²	143.5	79%	0.791	81%	0.813	S	S	*	*			trans	-84.5	144.7	-170.5	-54.4	-83.6	0	0	0	113.8
322	P	33.2	Very low	31.3	Very low	122 Å²	122	146.1 Å²	146.1	79%	0.792	82%	0.819	S	S	*	*			trans	-101.4	112.8	156.3	33.3	-25.1	0	0	0	110.7
323	V	34.5	Very low	31.1	Very low	133 Å²	133	141.4 Å²	141.4	81%	0.806	81%	0.811	S	S	*	*			trans	-75.2	132.6	170.5	177.8	0	0	0	0	109.6
324	P	36.7	Very low	30.8	Very low	118 Å²	118	142.9 Å²	142.9	77%	0.766	81%	0.814	S	S	*	*			trans	-76.3	139	176.5	31.1	-34.6	0	0	0	111.7
325	A	27.5	Very low	30.4	Very low	99 Å²	99	141.2 Å²	141.2	82%	0.818	81%	0.811	S	S	*	*			trans	-104.5	131.8	172.2	0	0	0	0	0	111.1
326	V	29	Very low	31.2	Very low	146 Å²	146	138.8 Å²	138.8	89%	0.885	81%	0.809	S	S	*	*			trans	-136.8	141.5	162.5	-177.3	0	0	0	0	107.4
327	S	29.6	Very low	30.6	Very low	120 Å²	120	138.4 Å²	138.4	84%	0.839	81%	0.807	S	S	*	*			trans	-73.4	163.7	-157.3	-50.6	0	0	0	0	116.8
328	E	29.5	Very low	30.4	Very low	202 Å²	202	136 Å²	136	94%	0.944	81%	0.807	S	S	*	*			trans	-63.7	162.5	176.1	-56.3	-174.7	112.4	0	0	115.1
329	G	26.2	Very low	31.2	Very low	84 Å²	84	132.1 Å²	132.1	87%	0.866	80%	0.802	S	S	*	*			trans	178.1	100.4	155.5	0	0	0	0	0	114.8
330	G	26.5	Very low	32.3	Very low	77 Å²	77	131.3 Å²	131.3	79%	0.794	80%	0.797	S	S	*	*			trans	128.9	72.3	157	0	0	0	0	0	119.6
331	Q	30.7	Very low	32.4	Very low	163 Å²	163	134.9 Å²	134.9	76%	0.762	80%	0.798	S	S	*	*			trans	33.7	139.3	139.4	-69.6	-167.4	9.5	0	0	123.8
332	K	28.2	Very low	32.2	Very low	175 Å²	175	131.1 Å²	131.1	76%	0.761	79%	0.787	S	S	*	*			trans	100.5	119.4	139	-82	163	-178	169.7	0	122
333	S	28.2	Very low	32.1	Very low	95 Å²	95	132.7 Å²	132.7	66%	0.664	79%	0.789	S	S	*	*				89.9	118.3	130	-65.6	0	0	0	0	122.3
334	E	28.7	Very low	32	Very low	182 Å²	182	131.4 Å²	131.4	85%	0.85	79%	0.786	S	S	*	*			trans	80.1	109	131.5	-66.1	174.7	162.1	0	0	121.8
335	T	25.6	Very low	31.8	Very low	132 Å²	132	130 Å²	130	81%	0.81	78%	0.784	S	S	*	*			trans	-54.2	174.7	147.7	42.9	0	0	0	0	113.9
336	P	49.6	Very low	31.9	Very low	104 Å²	104	131.7 Å²	131.7	68%	0.675	79%	0.785	S	S	*	*			cis	-136.3	175	10.7	28.2	-4.3	0	0	0	116.4
337	L	26.8	Very low	32.2	Very low	164 Å²	164	128.5 Å²	128.5	86%	0.859	77%	0.769	S	S	*	*				170	139.9	110.7	-87.1	167.4	0	0	0	113.9
338	C	25.6	Very low	32.4	Very low	116 Å²	116	131.3 Å²	131.3	78%	0.784	77%	0.769	S	S	*	*			trans	-97.1	175.5	165.4	-89.2	0	0	0	0	108.7
339	P	46.8	Very low	32.6	Very low	119 Å²	119	125.6 Å²	125.6	77%	0.773	76%	0.756	S	S	*	*			cis	-149.6	-147.4	40.1	38.8	-10.7	0	0	0	114.7
340	P	52.3	Low	32.9	Very low	97 Å²	97	126.8 Å²	126.8	63%	0.63	76%	0.758	S	S	*	*				-139.9	-173	-86.4	46.1	-29.2	0	0	0	116.5
341	R	30.1	Very low	33	Very low	237 Å²	237	126.5 Å²	126.5	89%	0.894	76%	0.755	S	S	*	*			trans	72.2	159.8	150.9	-82.5	174	-174	170.4	1.2	117.6
342	A	31.8	Very low	33	Very low	68 Å²	68	128.3 Å²	128.3	56%	0.562	76%	0.764	S	S	*	*			cis	-160.4	159.4	0.1	0	0	0	0	0	112.7
343	D	29.7	Very low	32.9	Very low	156 Å²	156	131.1 Å²	131.1	83%	0.834	77%	0.769	S	S	*	*			trans	58.3	151.4	136.6	-57.4	-14.7	0	0	0	121.6
344	S	33.5	Very low	33.6	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	77%	0.771	S	S	*	*			cis	-169.3	165.7	-5	43.5	0	0	0	0	113.1
345	A	32.7	Very low	33.7	Very low	88 Å²	88	128.4 Å²	128.4	73%	0.727	76%	0.763	S	S	*	*			trans	64.3	157.5	148	0	0	0	0	0	119.2
346	T	30.1	Very low	34	Very low	135 Å²	135	130 Å²	130	83%	0.828	76%	0.761	S	S	*	*			cis	-167.8	167.2	-2.7	7.5	0	0	0	0	107.7
347	S	34.7	Very low	33.7	Very low	80 Å²	80	130.5 Å²	130.5	56%	0.559	76%	0.764	S	S	*	*			cis	-159.5	161.8	-7.9	-153.9	0	0	0	0	110.1
348	E	33.3	Very low	33.6	Very low	178 Å²	178	127.1 Å²	127.1	83%	0.832	76%	0.76	S	S	*	*			trans	52.9	153.1	140.6	-78.1	170.8	127.8	0	0	124.7
349	A	33.3	Very low	33.7	Very low	83 Å²	83	127.4 Å²	127.4	69%	0.686	76%	0.763	S	S	*	*			cis	-160.7	154.2	-6.3	0	0	0	0	0	114
350	A	33.4	Very low	32.7	Very low	109 Å²	109	128.4 Å²	128.4	90%	0.901	77%	0.767	S	S	*	*			trans	54.6	149.2	155	0	0	0	0	0	120.3
351	G	28.4	Very low	32.3	Very low	71 Å²	71	129.3 Å²	129.3	73%	0.732	77%	0.772	S	S	*	*			cis	-172.9	169.6	-4.8	0	0	0	0	0	107.5
352	Q	30.3	Very low	31.9	Very low	201 Å²	201	123.5 Å²	123.5	94%	0.939	77%	0.769	S	S	*	*			cis	-147.2	-172.7	23.4	-61.5	177	-8.6	0	0	111.5
353	R	25.3	Very low	31.6	Very low	234 Å²	234	126.5 Å²	126.5	88%	0.883	78%	0.78	S	S	*	*			trans	-114.2	-176.2	-179.6	-116.9	-173.9	179.5	176.2	0.3	110
354	P	43.6	Very low	31.2	Very low	106 Å²	106	127.7 Å²	127.7	69%	0.688	78%	0.78	S	S	*	*			cis	-147.2	170.7	25.4	45.2	-25.1	0	0	0	119.6
355	V	30.6	Very low	31.2	Very low	114 Å²	114	127.5 Å²	127.5	69%	0.691	78%	0.776	S	S	*	*			trans	53.6	144	132.8	166.4	0	0	0	0	120.8
356	H	32.4	Very low	30.8	Very low	164 Å²	164	128 Å²	128	76%	0.759	77%	0.774	S	S	*	*			cis	-177.7	-166.5	-15.4	-93.9	-40	0	0	0	106
357	P	42.2	Very low	30.5	Very low	115 Å²	115	128.8 Å²	128.8	75%	0.747	77%	0.773	S	S	*	*			cis	-110.3	176.7	-34.7	21.8	1.3	0	0	0	110.9
358	A	26.7	Very low	30	Very low	93 Å²	93	131.1 Å²	131.1	77%	0.769	78%	0.778	S	S	*	*			cis	90.9	98.2	20.4	0	0	0	0	0	117.7
359	S	26.9	Very low	29.5	Very low	123 Å²	123	130.3 Å²	130.3	86%	0.86	78%	0.775	S	S	*	*			trans	-167.9	160.8	150.5	60.5	0	0	0	0	113.6
360	V	25.7	Very low	29.2	Very low	140 Å²	140	133.2 Å²	133.2	85%	0.848	78%	0.778	S	S	*	*			trans	-159.4	-175.4	-178.1	-120.1	0	0	0	0	107.3
361	P	44.3	Very low	29.2	Very low	115 Å²	115	133.6 Å²	133.6	75%	0.747	78%	0.775	S	S	*	*			cis	-131.4	163.2	-37.7	37.4	-22.7	0	0	0	114.1
362	S	21.6	Very low	29.5	Very low	116 Å²	116	135.6 Å²	135.6	81%	0.811	78%	0.775	S	S	*	*			trans	-172.1	109.2	152.3	58.5	0	0	0	0	117.6
363	V	25.3	Very low	29.4	Very low	131 Å²	131	133.2 Å²	133.2	79%	0.794	77%	0.768	S	S	*	*			trans	20.7	115.2	134.7	-177.4	0	0	0	0	122.2
364	Q	22	Very low	29.8	Very low	180 Å²	180	129.3 Å²	129.3	84%	0.841	77%	0.77	S	S	*	*			trans	62.6	166.1	144.3	-76	-167.4	5	0	0	121.3
365	P	33.2	Very low	29.2	Very low	102 Å²	102	132.7 Å²	132.7	66%	0.662	78%	0.776	S	S	*	*			cis	-131.9	158.4	7.1	42.4	-26.5	0	0	0	118.8
366	S	23.2	Very low	29.2	Very low	98 Å²	98	131.2 Å²	131.2	69%	0.685	78%	0.776	S	S	*	*			trans	54	136.3	136.6	73.5	0	0	0	0	125.4
367	L	23.5	Very low	29.2	Very low	151 Å²	151	132 Å²	132	79%	0.791	79%	0.785	S	S	*	*			trans	88	125.4	147.5	-68.8	168.7	0	0	0	122.3
368	L	24.8	Very low	28.7	Very low	130 Å²	130	132.8 Å²	132.8	68%	0.681	79%	0.793	S	S	*	*			trans	74.4	124.2	137.5	-64.9	168.7	0	0	0	123.9
369	E	23.5	Very low	28.8	Very low	161 Å²	161	131.8 Å²	131.8	75%	0.752	79%	0.791	S	S	*	*				87.8	145.7	129.5	-80.9	173.6	176.2	0	0	124.7
370	D	26.3	Very low	28.8	Very low	143 Å²	143	134.4 Å²	134.4	77%	0.765	80%	0.795	S	S	*	*			trans	62.2	118.3	156.6	-69.1	4.6	0	0	0	124
371	S	34.4	Very low	29.2	Very low	118 Å²	118	135.9 Å²	135.9	83%	0.825	79%	0.792	S	S	*	*			trans	-80.8	147.5	152.7	-56.7	0	0	0	0	110.5
372	P	33.8	Very low	28.6	Very low	112 Å²	112	138.2 Å²	138.2	73%	0.727	80%	0.797	S	S	*	*			trans	-110.7	149.9	159.8	37.1	-30.3	0	0	0	112.7
373	L	29.4	Very low	29	Very low	152 Å²	152	137.2 Å²	137.2	80%	0.796	79%	0.791	S	S	*	*			trans	75.6	28.8	164.2	-47.9	-173.4	0	0	0	119.7	Q375	L373-Q375 VanDerWaalsContact C-N 3.28Å
374	V	32.5	Very low	29.6	Very low	152 Å²	152	136.2 Å²	136.2	92%	0.921	80%	0.796	S	S	*	*			trans	-89.1	77.2	133.6	-178.3	0	0	0	0	107.3
375	Q	32.2	Very low	30.4	Very low	176 Å²	176	134.2 Å²	134.2	82%	0.822	79%	0.791	S	S	*	*			trans	-138.4	56.3	179.5	-156.8	177.1	14.9	0	0	112.7	L373	L373-Q375 VanDerWaalsContact C-N 3.28Å
376	A	30.3	Very low	30.4	Very low	83 Å²	83	141 Å²	141	69%	0.686	80%	0.803	S	S	*	*	S	Bend	trans	-137.9	145.9	155	0	0	0	0	0	108.2
377	L	32.8	Very low	31.4	Very low	181 Å²	181	144.4 Å²	144.4	95%	0.948	81%	0.813	S	S	*	*			trans	69.7	40.7	176.6	-47	-178.8	0	0	0	117
378	S	30.9	Very low	32.4	Very low	132 Å²	132	145.7 Å²	145.7	92%	0.923	82%	0.815	S	S	*	*			trans	-100.5	112	147	-72.2	0	0	0	0	109.1
379	G	28.2	Very low	33.1	Very low	71 Å²	71	146.6 Å²	146.6	73%	0.732	82%	0.821	S	S	*	*			trans	-165.4	93	-173.8	0	0	0	0	0	113.4
380	L	27.5	Very low	33.5	Very low	178 Å²	178	144.4 Å²	144.4	93%	0.932	82%	0.823	S	S	*	*			trans	67.6	92.4	171.9	-53.8	-179.6	0	0	0	116.9
381	H	33.8	Very low	34.3	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.796	83%	0.829	S	S	*	*			trans	-89.9	141	153.2	176.3	-99.5	0	0	0	109.1
382	L	31.4	Very low	34.9	Very low	163 Å²	163	148.9 Å²	148.9	85%	0.853	83%	0.829	S	S	*	*			trans	-125.6	152.6	167.7	-82.6	175.4	0	0	0	110.4
383	S	29.4	Very low	34.7	Very low	96 Å²	96	152 Å²	152	67%	0.671	84%	0.838	S	S	*	*			trans	-80.5	144.5	-154.1	48.7	0	0	0	0	115.7	D385	S383-D385 VanDerWaalsContact C-N 3.28Å; S383-D385 PolarHBondContact O-N 2.93Å
384	A	39.7	Very low	35	Very low	110 Å²	110	154 Å²	154	91%	0.909	84%	0.841	S	S	*	*	S	Bend	trans	-76	72.5	169.1	0	0	0	0	0	112.2
385	D	38.2	Very low	35.2	Very low	138 Å²	138	158.5 Å²	158.5	74%	0.738	84%	0.841	S	S	*	*			trans	-149.7	88.3	157	-169.5	11.4	0	0	0	111	S383	S383-D385 VanDerWaalsContact C-N 3.28Å; S383-D385 PolarHBondContact O-N 2.93Å
386	R	32.8	Very low	35.3	Very low	243 Å²	243	154.9 Å²	154.9	92%	0.917	84%	0.835	S	S	*	*			trans	-175.2	67.2	159.5	-85.9	-115.1	170.8	-169.8	-4.9	108.7	E388	R386-E388 PolarHBondContact O-N 2.53Å
387	L	44.8	Very low	35.3	Very low	171 Å²	171	160.2 Å²	160.2	90%	0.895	84%	0.843	S	S	*	*			trans	-85	96.4	167.5	-173.3	88.1	0	0	0	108.5
388	E	43.5	Very low	35.2	Very low	177 Å²	177	156.4 Å²	156.4	83%	0.827	83%	0.832	S	S	*	*	S	Bend	trans	172.2	153.3	155.8	-94.4	-73.6	97.7	0	0	107.5	R386	R386-E388 PolarHBondContact O-N 2.53Å
389	D	39	Very low	35.5	Very low	149 Å²	149	158 Å²	158	80%	0.797	83%	0.829	S	S	*	*			trans	57.6	86.3	171.1	-138.8	2.6	0	0	0	119.5
390	S	32.8	Very low	35.8	Very low	116 Å²	116	161.9 Å²	161.9	81%	0.811	83%	0.833	S	S	*	*			trans	-156.1	36.3	146.2	46.4	0	0	0	0	113.6	K392	S390-K392 PolarHBondContact O-N 3.32Å
391	N	42.8	Very low	36.2	Very low	163 Å²	163	161 Å²	161	87%	0.872	83%	0.828	S	S	*	*			trans	-73	59.8	173.9	-97.4	-48.3	0	0	0	112.3
392	K	46.9	Very low	36.3	Very low	192 Å²	192	162.2 Å²	162.2	84%	0.835	83%	0.831	S	S	*	*			trans	-159.7	78.8	-177.2	-112.3	162.4	-170.8	170.4	0	115.1	S390	S390-K392 PolarHBondContact O-N 3.32Å
393	L	29.9	Very low	36.3	Very low	176 Å²	176	159.3 Å²	159.3	92%	0.921	82%	0.824	S	S	*	*			trans	-150.1	135	136.6	-139.7	66.7	0	0	0	111.3
394	K	36.2	Very low	36.4	Very low	196 Å²	196	161.1 Å²	161.1	85%	0.852	83%	0.831	S	S	*	*			trans	-85.4	148.4	-176	-54.8	176.2	-178.7	174.1	0	108.9
395	R	36	Very low	36	Very low	245 Å²	245	160.9 Å²	160.9	93%	0.925	82%	0.822	S	S	*	*			cis	60.8	83.4	45	-82.4	-166.8	177	148.1	1.9	115.2
396	S	34.5	Very low	35.5	Very low	100 Å²	100	165.1 Å²	165.1	70%	0.699	83%	0.829	S	S	*	*			trans	-130.9	144.3	143.5	48	0	0	0	0	107.1
397	F	29.3	Very low	35.4	Very low	195 Å²	195	159 Å²	159	86%	0.855	82%	0.824	S	S	*	*			cis	-122.9	139.4	9.8	-64	-105.3	0	0	0	111.2
398	S	32.6	Very low	34.6	Very low	101 Å²	101	155.6 Å²	155.6	71%	0.706	82%	0.821	S	S	*	*			trans	-120.9	139.4	159.8	-67.5	0	0	0	0	108.2
399	L	35.5	Very low	34	Very low	166 Å²	166	152.3 Å²	152.3	87%	0.869	82%	0.817	S	S	*	*			trans	-106.2	94.6	171.5	-70.9	175.1	0	0	0	108.8	I401	L399-I401 PolarHBondContact O-N 2.64Å
400	D	34.9	Very low	33.5	Very low	152 Å²	152	154.1 Å²	154.1	81%	0.813	82%	0.823	S	S	*	*			trans	-80.5	113.8	173.4	-72.5	-39.2	0	0	0	110.3
401	I	36.8	Very low	33.5	Very low	159 Å²	159	153.4 Å²	153.4	82%	0.815	82%	0.824	S	S	*	*			trans	-94.7	113	169.2	-58.6	175.7	0	0	0	107.5	L399 S403	L399-I401 PolarHBondContact O-N 2.64Å; I401-S403 PolarHBondContact O-N 2.7Å; I401-S403 VanDerWaalsContact O-N 3.1Å
402	K	34.8	Very low	32.8	Very low	199 Å²	199	150.7 Å²	150.7	87%	0.865	82%	0.824	S	S	*	*			trans	-67.2	107.5	173.8	-81.1	-175.7	174.7	175.9	0	110.5
403	S	31.8	Very low	32	Very low	102 Å²	102	146.5 Å²	146.5	71%	0.713	82%	0.819	S	S	*	*			trans	-71.2	126.6	160.8	53	0	0	0	0	110.1	I401	I401-S403 PolarHBondContact O-N 2.7Å; I401-S403 VanDerWaalsContact O-N 3.1Å
404	V	31.3	Very low	32	Very low	133 Å²	133	145.4 Å²	145.4	81%	0.806	81%	0.814	S	S	*	*			trans	-88	114.1	168.6	177.9	0	0	0	0	108.5
405	S	31.1	Very low	31.8	Very low	105 Å²	105	145 Å²	145	73%	0.734	81%	0.814	S	S	*	*			trans	-124.6	119.8	173.1	-63.4	0	0	0	0	109
406	Y	29	Very low	31.3	Very low	227 Å²	227	136.9 Å²	136.9	89%	0.89	81%	0.807	S	S	*	*			trans	-66.4	144.2	173	-102	-105.1	0	0	0	110.8
407	S	29.5	Very low	31	Very low	114 Å²	114	142.2 Å²	142.2	80%	0.797	82%	0.818	S	S	*	*			trans	-82.4	137	174.3	50.4	0	0	0	0	111.6
408	A	29	Very low	30.9	Very low	101 Å²	101	138.2 Å²	138.2	84%	0.835	81%	0.814	S	S	*	*			trans	-113.8	118.5	157.5	0	0	0	0	0	107.1
409	S	30.4	Very low	30.7	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	82%	0.819	S	S	*	*			trans	-80.3	127.9	-173	53.5	0	0	0	0	112.2
410	M	29	Very low	30.5	Very low	188 Å²	188	135 Å²	135	93%	0.926	81%	0.805	S	S	*	*			trans	-124.7	112.7	159.6	-77.4	-76.7	100.9	0	0	108.3
411	A	31.5	Very low	30.2	Very low	101 Å²	101	135.8 Å²	135.8	84%	0.835	80%	0.804	S	S	*	*			trans	-99.1	141.3	171.7	0	0	0	0	0	109.2
412	A	29.6	Very low	29.9	Very low	105 Å²	105	135.7 Å²	135.7	87%	0.868	81%	0.805	S	S	*	*			trans	-131	124.1	176.8	0	0	0	0	0	109.8
413	S	29.8	Very low	29.9	Very low	104 Å²	104	129.2 Å²	129.2	73%	0.727	79%	0.789	S	S	*	*			trans	-151.1	91.5	179.4	59.8	0	0	0	0	113.2
414	L	30.2	Very low	29.9	Very low	154 Å²	154	131.7 Å²	131.7	81%	0.806	79%	0.793	S	S	*	*			trans	68.4	147.3	139.4	-64	165	0	0	0	122.1
415	H	30.6	Very low	29.9	Very low	188 Å²	188	132 Å²	132	87%	0.87	79%	0.786	S	S	*	*			trans	67.8	139.8	161.1	-73	-72.2	0	0	0	121.3
416	G	26.9	Very low	29.8	Very low	74 Å²	74	136 Å²	136	76%	0.763	79%	0.786	S	S	*	*			trans	136.3	70.1	137.7	0	0	0	0	0	119.7
417	F	27.1	Very low	29.7	Very low	211 Å²	211	134.9 Å²	134.9	93%	0.925	78%	0.782	S	S	*	*			trans	-2.5	136.4	155.8	-81.7	-84.2	0	0	0	122.7
418	S	27.4	Very low	29.8	Very low	111 Å²	111	137.6 Å²	137.6	78%	0.776	78%	0.779	S	S	*	*			trans	88.5	143.5	133.9	-156.2	0	0	0	0	122
419	S	27.8	Very low	30.5	Very low	116 Å²	116	138.2 Å²	138.2	81%	0.811	78%	0.775	S	S	*	*			trans	67.9	149.9	153.4	-169	0	0	0	0	118.4
420	S	30.9	Very low	30.6	Very low	83 Å²	83	137.9 Å²	137.9	58%	0.58	77%	0.772	S	S	*	*			cis	-160.8	171.4	-34.7	-164.9	0	0	0	0	108.3
421	E	30.1	Very low	30.8	Very low	170 Å²	170	135.1 Å²	135.1	79%	0.794	77%	0.766	S	S	*	*			trans	41.4	110.1	151.2	-76.6	149.9	128.3	0	0	122.5
422	D	30.9	Very low	30.9	Very low	157 Å²	157	136 Å²	136	84%	0.84	76%	0.761	S	S	*	*				89.1	152.6	108.2	-149.2	21.5	0	0	0	123.3
423	A	33	Very low	31	Very low	62 Å²	62	138 Å²	138	51%	0.512	76%	0.756	S	S	.	*			trans	60.6	121.2	149.9	0	0	0	0	0	124.2
424	L	31.8	Very low	31.1	Very low	154 Å²	154	140.3 Å²	140.3	81%	0.806	76%	0.761	S	S	*	*				59.5	161.1	127.9	-60.4	170.9	0	0	0	120
425	E	32.6	Very low	31.1	Very low	141 Å²	141	135.8 Å²	135.8	66%	0.659	75%	0.752	S	S	*	*			cis	-169.1	-174.5	-28.2	-176.9	171.1	-131.5	0	0	106.7
426	Y	28.3	Very low	31.1	Very low	189 Å²	189	133.4 Å²	133.4	74%	0.741	75%	0.75	S	S	*	*			trans	73.4	149.8	170.3	-71.7	-105.5	0	0	0	118.6
427	Y	26.6	Very low	31.3	Very low	203 Å²	203	136.3 Å²	136.3	80%	0.796	75%	0.748	S	S	*	*			cis	-162.4	173.9	-35.1	-142.6	-99.1	0	0	0	111.1
428	K	31.7	Very low	31.7	Very low	171 Å²	171	135 Å²	135	74%	0.743	74%	0.743	S	S	*	*			trans	-71.4	172.2	168.7	-81.4	178.3	-179.2	176.4	0	112.4
429	P	43.7	Very low	31.6	Very low	114 Å²	114	136.9 Å²	136.9	74%	0.74	74%	0.743	S	S	*	*			cis	-134.5	169.6	33.1	20.1	8.3	0	0	0	116.2
430	S	33.2	Very low	31.5	Very low	100 Å²	100	136 Å²	136	70%	0.699	74%	0.736	S	S	*	*				60.1	144.6	67.9	-33.3	0	0	0	0	114.1
431	T	32.7	Very low	31.5	Very low	130 Å²	130	139.3 Å²	139.3	80%	0.798	74%	0.742	S	S	*	*			cis	-135.1	-162.1	32.3	49.1	0	0	0	0	110.2
432	T	33.6	Very low	31.3	Very low	119 Å²	119	139.9 Å²	139.9	73%	0.73	74%	0.742	S	S	*	*			cis	-135.6	-153.3	18.5	53	0	0	0	0	110.1
433	L	32.6	Very low	31.2	Very low	146 Å²	146	137.7 Å²	137.7	76%	0.764	74%	0.739	S	S	*	*			cis	-155.8	-166.8	6.1	-135	175.9	0	0	0	110
434	D	30.5	Very low	32.2	Very low	153 Å²	153	140.5 Å²	140.5	82%	0.818	75%	0.752	S	S	*	*			trans	-86.9	165	-172.5	-65.1	-52.1	0	0	0	115.5
435	G	31.7	Very low	31.9	Very low	60 Å²	60	140.5 Å²	140.5	62%	0.619	76%	0.758	S	S	*	*			cis	163.4	-172.4	-6.5	0	0	0	0	0	115.2
436	T	30.3	Very low	31.6	Very low	137 Å²	137	141.6 Å²	141.6	84%	0.84	76%	0.763	S	S	*	*			trans	98.4	103.3	169.4	70	0	0	0	0	122.4
437	N	31.1	Very low	31.6	Very low	135 Å²	135	140.6 Å²	140.6	72%	0.722	77%	0.765	S	S	*	*			trans	67.3	105.8	135.3	-67.8	-33.7	0	0	0	126.2
438	K	34.8	Very low	31.7	Very low	185 Å²	185	137.5 Å²	137.5	80%	0.804	76%	0.762	S	S	*	*				53.7	147.8	126	-57.2	-177.6	-175.9	-179.4	0	120.3
439	L	25.8	Very low	31.5	Very low	150 Å²	150	132.9 Å²	132.9	79%	0.785	75%	0.751	S	S	*	*			cis	-161	145	33.3	-170.2	68.7	0	0	0	113.4
440	C	26.7	Very low	30.8	Very low	97 Å²	97	134.7 Å²	134.7	66%	0.655	75%	0.75	S	S	*	*			trans	20.3	157.7	154.1	-60.4	0	0	0	0	124.9
441	Q	30.7	Very low	30.6	Very low	153 Å²	153	137.4 Å²	137.4	72%	0.715	75%	0.751	S	S	*	*			cis	-172.1	151.9	-19	-111.7	178.2	-14.6	0	0	112.2
442	F	26.1	Very low	30.3	Very low	182 Å²	182	137.1 Å²	137.1	80%	0.798	75%	0.75	S	S	*	*			trans	62.8	173	152.2	-74.3	-60.9	0	0	0	122.8
443	S	27.9	Very low	30.8	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	75%	0.749	S	S	*	*			trans	-120.4	-137.1	-152.6	-57.6	0	0	0	0	115
444	P	53.4	Low	30.4	Very low	121 Å²	121	137.5 Å²	137.5	79%	0.786	75%	0.749	S	S	*	*				-119.4	177.8	-116	40.3	-23.5	0	0	0	115.6
445	V	25.8	Very low	30.3	Very low	154 Å²	154	136.7 Å²	136.7	93%	0.933	75%	0.749	S	S	*	*			trans	-166.1	173.6	151.7	126.7	0	0	0	0	111.7
446	Q	27.4	Very low	30.3	Very low	164 Å²	164	139.2 Å²	139.2	77%	0.766	76%	0.758	S	S	*	*			trans	-133	156.5	-165.2	155.5	-175.2	-14.4	0	0	111.2
447	E	27.4	Very low	31.2	Very low	168 Å²	168	138.4 Å²	138.4	79%	0.785	76%	0.755	S	S	*	*			trans	174.1	131.9	140.7	-91.5	-164.5	146.7	0	0	110.5
448	L	28.6	Very low	31.2	Very low	138 Å²	138	139 Å²	139	72%	0.723	76%	0.758	S	S	*	*				56.1	146.6	108	-74.5	111.3	0	0	0	117.3
449	S	28.7	Very low	31.1	Very low	74 Å²	74	137.7 Å²	137.7	52%	0.517	75%	0.752	S	S	.	*			cis	-151.5	169	11.1	-142.5	0	0	0	0	114.3
450	E	27.3	Very low	31.5	Very low	151 Å²	151	137.4 Å²	137.4	71%	0.706	75%	0.747	S	S	*	*			trans	26.2	158.1	136.1	-64.5	169.4	125.6	0	0	122.7
451	Q	29	Very low	31.7	Very low	157 Å²	157	141 Å²	141	73%	0.734	75%	0.754	S	S	*	*			cis	-161.9	178.3	-4.8	-116.4	177.9	55.6	0	0	110.2
452	T	26.3	Very low	31.7	Very low	125 Å²	125	137.1 Å²	137.1	77%	0.767	75%	0.748	S	S	*	*			trans	-66.5	173.1	164.1	27	0	0	0	0	112.6
453	P	44	Very low	31.8	Very low	110 Å²	110	133.1 Å²	133.1	71%	0.714	74%	0.743	S	S	*	*			cis	-153.7	-172.5	35.4	46.1	-23.6	0	0	0	119.5
454	E	26	Very low	32.1	Very low	163 Å²	163	135.3 Å²	135.3	76%	0.762	74%	0.744	S	S	*	*			trans	24.1	131.6	141.3	-63.8	-69.3	129.5	0	0	122.1
455	T	28.5	Very low	31.7	Very low	135 Å²	135	134 Å²	134	83%	0.828	74%	0.736	S	S	*	*				171.2	155.7	108.7	32.8	0	0	0	0	113.5
456	S	31.2	Very low	31.8	Very low	113 Å²	113	136.1 Å²	136.1	79%	0.79	73%	0.732	S	S	*	*			trans	-101.1	170.1	164.9	-52.8	0	0	0	0	111.2
457	P	48.3	Very low	31.9	Very low	121 Å²	121	137.8 Å²	137.8	79%	0.786	74%	0.737	S	S	*	*				-148.1	179.2	107.6	39	-23	0	0	0	116.3
458	D	31.2	Very low	32.6	Very low	148 Å²	148	134.7 Å²	134.7	79%	0.791	73%	0.731	S	S	*	*			trans	-61.2	176	-179.8	-46	-90.3	0	0	0	114.8
459	K	34	Very low	32.7	Very low	157 Å²	157	136.1 Å²	136.1	68%	0.683	74%	0.735	S	S	*	*				178.3	154.8	58.1	-131	164.9	173.4	-76.4	0	112.6
460	E	32.6	Very low	32.7	Very low	144 Å²	144	137.7 Å²	137.7	67%	0.673	74%	0.741	S	S	*	*			trans	53.1	157.3	143.5	-78.2	158.2	-173.9	0	0	122.2
461	E	31.2	Very low	32.7	Very low	173 Å²	173	137 Å²	137	81%	0.808	75%	0.747	S	S	*	*			cis	-163.2	167.4	-31.8	-139.6	-165.8	160.7	0	0	112
462	A	30.6	Very low	32.6	Very low	70 Å²	70	140.9 Å²	140.9	58%	0.579	76%	0.755	S	S	*	*			trans	46.2	97.4	145.6	0	0	0	0	0	125.4
463	S	28.5	Very low	33.5	Very low	99 Å²	99	141 Å²	141	69%	0.692	76%	0.758	S	S	*	*				73.6	140.3	114.1	82	0	0	0	0	126
464	I	34.6	Very low	32.7	Very low	156 Å²	156	140.3 Å²	140.3	80%	0.8	76%	0.756	S	S	*	*			trans	72.1	144.1	134.9	-74.8	168.2	0	0	0	119.9
465	P	45.5	Very low	32.9	Very low	95 Å²	95	139.5 Å²	139.5	62%	0.617	76%	0.757	S	S	*	*			cis	-148.5	-164.3	-32.3	47	-26.6	0	0	0	116.4
466	K	28	Very low	33.1	Very low	198 Å²	198	138.2 Å²	138.2	86%	0.861	75%	0.753	S	S	*	*			trans	70.5	116.6	149	-73.4	173	-174.4	172.5	0	124.3
467	K	29.5	Very low	33.2	Very low	199 Å²	199	141 Å²	141	87%	0.865	75%	0.754	S	S	*	*			trans	-12.8	158.3	134.8	-101.3	-179.1	-179.5	175.9	0	118.9
468	P	40.6	Very low	32.3	Very low	102 Å²	102	139.5 Å²	139.5	66%	0.662	75%	0.746	S	S	*	*				-156.9	-167.4	60.5	45.7	-25	0	0	0	119.3
469	Q	31.4	Very low	32.3	Very low	169 Å²	169	141.7 Å²	141.7	79%	0.79	75%	0.748	S	S	*	*			trans	75.5	150.4	158.1	-75	176.6	-20.9	0	0	118.9
470	T	27.7	Very low	32.1	Very low	107 Å²	107	144.9 Å²	144.9	66%	0.656	76%	0.756	S	S	*	*			cis	-153	144.8	0.2	-0.9	0	0	0	0	115.4
471	T	27.7	Very low	32	Very low	135 Å²	135	143.5 Å²	143.5	83%	0.828	75%	0.753	S	S	*	*			trans	61	138.8	143.3	49.9	0	0	0	0	127
472	R	28	Very low	32	Very low	239 Å²	239	142.8 Å²	142.8	90%	0.902	75%	0.749	S	S	*	*			trans	-76.3	168.6	159.5	-94.5	-179.7	-177.5	178.3	0.2	111.9
473	P	43.8	Very low	31.9	Very low	129 Å²	129	144 Å²	144	84%	0.838	75%	0.754	S	S	*	*				-146	-141.6	71.3	41	-18.5	0	0	0	116.1
474	S	28.5	Very low	32	Very low	94 Å²	94	145.1 Å²	145.1	66%	0.657	76%	0.756	S	S	*	*			trans	-143.6	163.7	-139.2	53.3	0	0	0	0	116.6
475	D	30.1	Very low	31.7	Very low	147 Å²	147	148.5 Å²	148.5	79%	0.786	76%	0.759	S	S	*	*			trans	54.1	126.2	155.8	-54.9	-37.9	0	0	0	121.6
476	S	32.8	Very low	30.9	Very low	107 Å²	107	149.5 Å²	149.5	75%	0.748	76%	0.763	S	S	*	*				158.7	153.6	96.1	60.4	0	0	0	0	117.2
477	Q	32.2	Very low	31	Very low	173 Å²	173	145 Å²	145	81%	0.808	76%	0.756	S	S	*	*			trans	73.9	118.6	143.8	-81	-163.8	51.2	0	0	126.2
478	S	29.5	Very low	31	Very low	88 Å²	88	141 Å²	141	62%	0.615	75%	0.753	S	S	*	*				80.4	113.9	117.4	-59.7	0	0	0	0	124.2
479	K	31.2	Very low	30.5	Very low	194 Å²	194	140.1 Å²	140.1	84%	0.843	76%	0.763	S	S	*	*				167.7	131.5	125	-88.2	151.6	-169.8	171.5	0	110.4
480	R	29.4	Very low	30.4	Very low	224 Å²	224	135.9 Å²	135.9	85%	0.845	77%	0.765	S	S	*	*				60.7	134.5	83.3	-81.5	-166	178.3	-160.9	3.1	113.1
481	L	30.8	Very low	30.8	Very low	115 Å²	115	137.5 Å²	137.5	60%	0.602	78%	0.775	S	S	*	*			cis	-165.3	170.4	22.2	-119	167.4	0	0	0	113.3
482	H	32.3	Very low	30.9	Very low	159 Å²	159	137.7 Å²	137.7	74%	0.736	78%	0.776	S	S	*	*			trans	68.6	151.5	158.7	-65.9	-52.7	0	0	0	121
483	S	28.4	Very low	31.1	Very low	96 Å²	96	133.9 Å²	133.9	67%	0.671	77%	0.768	S	S	*	*			cis	-170.9	161.8	-26.1	-161.4	0	0	0	0	112.3
484	V	29.6	Very low	30.3	Very low	122 Å²	122	138.3 Å²	138.3	74%	0.739	77%	0.768	S	S	*	*			trans	65	118.4	166.5	-152.5	0	0	0	0	115.3
485	R	29.3	Very low	30.3	Very low	227 Å²	227	137.8 Å²	137.8	86%	0.857	77%	0.765	S	S	*	*				69.3	147	56.1	-69.1	-167.9	169.6	-170.7	-2.7	113.5
486	T	29.1	Very low	30.3	Very low	115 Å²	115	137.9 Å²	137.9	71%	0.706	77%	0.765	S	S	*	*			cis	-157.9	172.2	-6.5	8.6	0	0	0	0	111.3
487	S	29.1	Very low	30	Very low	103 Å²	103	140.7 Å²	140.7	72%	0.72	77%	0.77	S	S	*	*			trans	-23.2	166.9	157	65.1	0	0	0	0	119
488	S	30.1	Very low	30.1	Very low	115 Å²	115	137.5 Å²	137.5	80%	0.804	77%	0.767	S	S	*	*			cis	-176.4	159.7	37.9	47.9	0	0	0	0	113.9
489	G	29.1	Very low	30.9	Very low	84 Å²	84	138.8 Å²	138.8	87%	0.866	77%	0.773	S	S	*	*			trans	87.3	158.8	157.2	0	0	0	0	0	116.3
490	G	29.4	Very low	30.7	Very low	81 Å²	81	137.8 Å²	137.8	84%	0.835	78%	0.776	S	S	*	*			cis	-165.4	175.9	-0.6	0	0	0	0	0	112.5
491	T	35.9	Very low	30.8	Very low	140 Å²	140	135.7 Å²	135.7	86%	0.859	78%	0.776	S	S	*	*			trans	-114.2	132.2	-167.2	50.5	0	0	0	0	115.8
492	T	31.2	Very low	30.6	Very low	139 Å²	139	141.7 Å²	141.7	85%	0.853	79%	0.79	S	S	*	*			trans	-157.9	129.1	156.5	27.7	0	0	0	0	107.6
493	Q	31.2	Very low	30.5	Very low	160 Å²	160	139.8 Å²	139.8	75%	0.748	80%	0.795	S	S	*	*				75	112.8	56.9	-87.1	-136.6	26.2	0	0	116.9
494	R	28.2	Very low	30.5	Very low	221 Å²	221	138.7 Å²	138.7	83%	0.834	80%	0.798	S	S	*	*			trans	56.3	160.9	143.1	-84.5	178.4	169	166.5	-4.8	118.8
495	S	27.2	Very low	30.5	Very low	83 Å²	83	138.6 Å²	138.6	58%	0.58	80%	0.804	S	S	*	*			cis	-158.4	160.8	0.8	-125.7	0	0	0	0	111.4
496	L	29.8	Very low	30.6	Very low	150 Å²	150	134.2 Å²	134.2	79%	0.785	80%	0.802	S	S	*	*			trans	41.3	133.3	144.9	-60.1	166.1	0	0	0	121.6
497	L	28.2	Very low	30.7	Very low	166 Å²	166	136.4 Å²	136.4	87%	0.869	80%	0.804	S	S	*	*				179.5	141.8	98.6	-93	173.7	0	0	0	113.7
498	S	33.9	Very low	31	Very low	106 Å²	106	138 Å²	138	74%	0.741	81%	0.805	S	S	*	*			trans	-103.8	-179.8	158.3	-30.4	0	0	0	0	107.9
499	P	45.2	Very low	31.1	Very low	114 Å²	114	137.4 Å²	137.4	74%	0.74	79%	0.792	S	S	*	*			cis	-147.7	-174	29.1	44.5	-24.2	0	0	0	116.9
500	L	27.6	Very low	31.1	Very low	173 Å²	173	144.6 Å²	144.6	91%	0.906	80%	0.795	S	S	*	*			trans	-175.4	164.1	130.1	-100.2	165.9	0	0	0	111.5
501	H	31.4	Very low	31.2	Very low	181 Å²	181	147.1 Å²	147.1	84%	0.838	78%	0.784	S	S	*	*			trans	-158.1	127.8	-156.7	-156.8	-121.6	0	0	0	116.4
502	R	27.6	Very low	30.9	Very low	241 Å²	241	146.6 Å²	146.6	91%	0.909	78%	0.781	S	S	*	*			trans	177.5	149.4	159.5	-106.5	170.7	177.9	165.9	-0.3	109.4
503	S	29.9	Very low	30.8	Very low	118 Å²	118	144 Å²	144	83%	0.825	77%	0.769	S	S	*	*			cis	98.2	124.4	2.2	-158.7	0	0	0	0	118.5
504	G	27.4	Very low	30.5	Very low	73 Å²	73	145.9 Å²	145.9	75%	0.753	78%	0.775	S	S	*	*			trans	114.4	120.8	179.8	0	0	0	0	0	112
505	S	30.4	Very low	30.6	Very low	121 Å²	121	142.2 Å²	142.2	85%	0.846	77%	0.771	S	S	*	*			cis	90.7	114.6	16.4	-158.6	0	0	0	0	116.5
506	V	30.9	Very low	30.7	Very low	135 Å²	135	147.2 Å²	147.2	82%	0.818	78%	0.783	S	S	*	*			trans	174	154.1	148.5	144.1	0	0	0	0	109.5
507	E	31.8	Very low	30.5	Very low	161 Å²	161	143.8 Å²	143.8	75%	0.752	78%	0.784	S	S	*	*			trans	-95.2	179.3	-172.8	-56.2	107.8	133.7	0	0	116.7
508	D	33.7	Very low	30.4	Very low	137 Å²	137	143.2 Å²	143.2	73%	0.733	78%	0.78	S	S	*	*			trans	108.1	113.2	132.4	-112.1	39.2	0	0	0	123.6
509	N	32.2	Very low	30.1	Very low	101 Å²	101	144.2 Å²	144.2	54%	0.54	79%	0.787	S	S	.	*			trans	56.8	122.5	131	-84.5	-44.4	0	0	0	124.1
510	Y	30.3	Very low	29.4	Very low	235 Å²	235	144.5 Å²	144.5	92%	0.922	79%	0.788	S	S	*	*				-139.7	102.9	120.9	-90.8	-75.6	0	0	0	111.8
511	H	32.1	Very low	29.5	Very low	134 Å²	134	142.6 Å²	142.6	62%	0.62	79%	0.789	S	S	*	*			trans	15.2	129.9	130.4	-87.3	-96	0	0	0	118.7
512	T	29.3	Very low	29.5	Very low	129 Å²	129	141.3 Å²	141.3	79%	0.791	78%	0.783	S	S	*	*				179.4	163.2	77.6	37.1	0	0	0	0	109.4
513	S	27.8	Very low	29.9	Very low	85 Å²	85	139.4 Å²	139.4	59%	0.594	79%	0.785	S	S	*	*			cis	-167.2	130.6	-19.2	-92.7	0	0	0	0	112.3
514	F	25.7	Very low	29.8	Very low	199 Å²	199	141 Å²	141	87%	0.873	78%	0.779	S	S	*	*			trans	61.2	176.6	146.9	-78.2	-81.8	0	0	0	122.8
515	L	30.7	Very low	29.9	Very low	144 Å²	144	143.8 Å²	143.8	75%	0.754	78%	0.775	S	S	*	*			trans	-123.5	171	-154.8	-76	163	0	0	0	113.6
516	F	28.2	Very low	29.8	Very low	189 Å²	189	144.3 Å²	144.3	83%	0.829	77%	0.774	S	S	*	*			trans	75.2	123.5	160.7	-77.4	-74.3	0	0	0	119.5
517	G	25.6	Very low	29.8	Very low	78 Å²	78	147 Å²	147	80%	0.804	77%	0.774	S	S	*	*			trans	-144.7	115.5	157.4	0	0	0	0	0	108.7
518	L	27.6	Very low	29.5	Very low	153 Å²	153	144.8 Å²	144.8	80%	0.801	78%	0.777	S	S	*	*			trans	-85.8	154.1	178.7	-72.4	162.6	0	0	0	110.7
519	S	26.8	Very low	29.3	Very low	127 Å²	127	142.9 Å²	142.9	89%	0.888	78%	0.78	S	S	*	*			trans	-132.5	116.4	150.7	-170.8	0	0	0	0	109.3
520	T	30.1	Very low	28.9	Very low	121 Å²	121	141.4 Å²	141.4	74%	0.742	79%	0.789	S	S	*	*			trans	-98.6	136.2	178.4	48.7	0	0	0	0	110.4
521	S	29.2	Very low	28.8	Very low	133 Å²	133	139.1 Å²	139.1	93%	0.93	79%	0.792	S	S	*	*			trans	-127.6	152.2	144.4	-166.7	0	0	0	0	109.1
522	Q	31.1	Very low	28.5	Very low	154 Å²	154	135.9 Å²	135.9	72%	0.72	80%	0.795	S	S	*	*			trans	-140.2	117.6	-145	177.3	-173	39.7	0	0	110.2
523	Q	36.3	Very low	28.5	Very low	201 Å²	201	137.6 Å²	137.6	94%	0.939	80%	0.798	S	S	*	*			trans	-132.8	155.5	161.7	-71.4	-160.9	-8.9	0	0	111.2
524	H	28.6	Very low	28.7	Very low	152 Å²	152	143.6 Å²	143.6	70%	0.704	81%	0.813	S	S	*	*			trans	-91	149.5	-151.3	-97.4	-159	0	0	0	115.3
525	L	29.1	Very low	28.7	Very low	130 Å²	130	137.1 Å²	137.1	68%	0.681	80%	0.802	S	S	*	*			trans	31.8	139.2	138.3	-73.6	104.1	0	0	0	119.8
526	T	28.6	Very low	28.6	Very low	133 Å²	133	141.3 Å²	141.3	82%	0.816	81%	0.809	S	S	*	*			cis	-145.7	174.8	48	37.5	0	0	0	0	115.7
527	K	30.3	Very low	28.6	Very low	190 Å²	190	139.9 Å²	139.9	83%	0.826	80%	0.804	S	S	*	*			trans	-67.6	167.8	171.8	-58.3	168.4	-176.4	174.2	0	110.6
528	S	27.3	Very low	28.7	Very low	115 Å²	115	139.8 Å²	139.8	80%	0.804	79%	0.791	S	S	*	*			cis	-157.1	164.1	28.4	-167.7	0	0	0	0	113.6
529	A	27.7	Very low	28.8	Very low	97 Å²	97	138.7 Å²	138.7	80%	0.802	79%	0.786	S	S	*	*			trans	-89.9	171.1	162.1	0	0	0	0	0	111.6
530	G	25.3	Very low	29.1	Very low	70 Å²	70	139.6 Å²	139.6	72%	0.722	78%	0.779	S	S	*	*			trans	134	92.1	152.6	0	0	0	0	0	118.9
531	L	26.8	Very low	29	Very low	188 Å²	188	141.9 Å²	141.9	98%	0.984	79%	0.786	S	S	*	*			trans	31.6	130.9	130.8	-63.8	163.4	0	0	0	121.7
532	G	25.3	Very low	29.5	Very low	66 Å²	66	139.4 Å²	139.4	68%	0.68	77%	0.774	S	S	*	*			trans	141.9	90.7	147.4	0	0	0	0	0	116.6
533	L	31.1	Very low	29.7	Very low	164 Å²	164	137.7 Å²	137.7	86%	0.859	78%	0.776	S	S	*	*				51.1	97.7	92.9	-75.5	167.2	0	0	0	116.6
534	K	30.3	Very low	29.3	Very low	211 Å²	211	136.1 Å²	136.1	92%	0.917	77%	0.769	S	S	*	*			trans	-169	153.8	132	-41.5	-170.5	-158.7	-39.8	0	106.9
535	G	26.9	Very low	29.2	Very low	63 Å²	63	134.9 Å²	134.9	65%	0.649	77%	0.772	S	S	*	*			cis	-157.5	142.3	-12.7	0	0	0	0	0	107.1
536	W	28.4	Very low	29.2	Very low	233 Å²	233	134 Å²	134	88%	0.883	78%	0.777	S	S	*	*				72.1	112.5	83.8	-81.7	57.7	0	0	0	115.9
537	H	27.9	Very low	29.4	Very low	158 Å²	158	134 Å²	134	73%	0.731	78%	0.777	S	S	*	*			trans	68.1	150	159.3	-80.1	-84.3	0	0	0	119
538	S	28.9	Very low	29.9	Very low	76 Å²	76	131.2 Å²	131.2	53%	0.531	78%	0.778	S	S	.	*			cis	-160.5	176.2	-10.2	-142.8	0	0	0	0	111.2
539	D	29.6	Very low	30.1	Very low	130 Å²	130	130.5 Å²	130.5	70%	0.695	77%	0.773	S	S	*	*			trans	66	111.7	148.1	-54.3	-10.8	0	0	0	118.6
540	I	31.4	Very low	30.1	Very low	146 Å²	146	133.1 Å²	133.1	75%	0.749	77%	0.773	S	S	*	*				98.8	118.3	71.8	-77.5	162	0	0	0	113.3
541	L	29.8	Very low	30.3	Very low	170 Å²	170	136.1 Å²	136.1	89%	0.89	78%	0.777	S	S	*	*			trans	23.2	118.9	157.8	-64.5	170	0	0	0	121.6
542	A	38.2	Very low	30.4	Very low	80 Å²	80	132 Å²	132	66%	0.661	76%	0.764	S	S	*	*			trans	-37.2	153.2	166.5	0	0	0	0	0	119.8
543	P	35.5	Very low	30.4	Very low	119 Å²	119	133.2 Å²	133.2	77%	0.773	76%	0.762	S	S	*	*			trans	-73.3	134.4	149.4	34.8	-32.3	0	0	0	109.1
544	Q	27.9	Very low	30.4	Very low	168 Å²	168	136.9 Å²	136.9	79%	0.785	77%	0.765	S	S	*	*			cis	60.7	124.1	40.8	-53.4	-69.7	0.9	0	0	110.9
545	T	27.6	Very low	30.4	Very low	126 Å²	126	134.9 Å²	134.9	77%	0.773	75%	0.752	S	S	*	*			cis	-153.1	-179.9	35.7	50.6	0	0	0	0	109.1
546	S	28.4	Very low	30.6	Very low	111 Å²	111	141 Å²	141	78%	0.776	76%	0.762	S	S	*	*			cis	-154.2	161.4	2.7	29.6	0	0	0	0	110.3
547	T	32.8	Very low	30.5	Very low	133 Å²	133	133.8 Å²	133.8	82%	0.816	75%	0.752	S	S	*	*			trans	-89.3	158.1	165.4	55.9	0	0	0	0	110.5
548	P	40.2	Very low	30.8	Very low	131 Å²	131	132 Å²	132	85%	0.851	75%	0.752	S	S	*	*				-146.7	-151.7	82.4	40.5	-20.4	0	0	0	114
549	S	31.3	Very low	30.6	Very low	100 Å²	100	137.5 Å²	137.5	70%	0.699	77%	0.769	S	S	*	*			trans	-116.9	178.8	-159	54.9	0	0	0	0	116
550	L	29.3	Very low	30.8	Very low	153 Å²	153	136.9 Å²	136.9	80%	0.801	78%	0.775	S	S	*	*			trans	84.1	122.5	166	-57.7	165.4	0	0	0	118.3
551	T	28.5	Very low	30.7	Very low	132 Å²	132	135.3 Å²	135.3	81%	0.81	78%	0.777	S	S	*	*				161.4	151.2	111	39.2	0	0	0	0	112.3
552	S	28.1	Very low	30.6	Very low	103 Å²	103	135.2 Å²	135.2	72%	0.72	77%	0.772	S	S	*	*			trans	52.1	126.6	172.7	55.5	0	0	0	0	117.5
553	S	26.9	Very low	30	Very low	91 Å²	91	139.9 Å²	139.9	64%	0.636	78%	0.778	S	S	*	*			cis	59.4	101.2	16.5	-161.1	0	0	0	0	116.3
554	W	30.6	Very low	29.7	Very low	241 Å²	241	143.6 Å²	143.6	91%	0.913	78%	0.777	S	S	*	*			trans	-136.8	108.9	139	-86.8	95.4	0	0	0	108.9
555	Y	30.1	Very low	29.8	Very low	168 Å²	168	140.9 Å²	140.9	66%	0.659	78%	0.777	S	S	*	*			trans	-74.1	167.6	163.8	-87.5	-113.8	0	0	0	108.8
556	F	30.9	Very low	29.8	Very low	192 Å²	192	139.4 Å²	139.4	84%	0.842	78%	0.778	S	S	*	*				-174	163.6	64.9	-92.3	-79	0	0	0	109.9
557	A	25.7	Very low	29.9	Very low	81 Å²	81	140 Å²	140	67%	0.669	78%	0.782	S	S	*	*			cis	-142.6	154.7	-0.5	0	0	0	0	0	111.4
558	T	35.7	Very low	29.7	Very low	121 Å²	121	138.6 Å²	138.6	74%	0.742	78%	0.784	S	S	*	*			trans	-102.2	139	152.5	50.6	0	0	0	0	108.6
559	E	24.5	Very low	29.6	Very low	192 Å²	192	140.1 Å²	140.1	90%	0.897	78%	0.783	S	S	*	*			trans	-124.3	139.5	155.1	-81.6	-156.9	141.4	0	0	110.7
560	S	33.4	Very low	29.6	Very low	117 Å²	117	146.5 Å²	146.5	82%	0.818	79%	0.793	S	S	*	*			trans	-143.3	116.3	174.6	51.8	0	0	0	0	108.2
561	S	29.5	Very low	29.5	Very low	113 Å²	113	142.5 Å²	142.5	79%	0.79	79%	0.789	S	S	*	*			trans	-151.6	146.7	167.1	56.5	0	0	0	0	113.4
562	H	28.5	Very low	29.5	Very low	167 Å²	167	139.7 Å²	139.7	77%	0.773	79%	0.786	S	S	*	*			trans	-57	151.6	-175.3	-48.2	-91.7	0	0	0	115.1
563	F	25.1	Very low	29.7	Very low	179 Å²	179	140.9 Å²	140.9	79%	0.785	79%	0.794	S	S	*	*			trans	177.3	141.3	132.7	-84.2	-53	0	0	0	107.7
564	Y	28.3	Very low	29.9	Very low	196 Å²	196	140.8 Å²	140.8	77%	0.769	80%	0.8	S	S	*	*			cis	-137	155.9	-2.7	-117.3	-74.5	0	0	0	109.3
565	S	30.7	Very low	29.9	Very low	112 Å²	112	134.7 Å²	134.7	78%	0.783	79%	0.794	S	S	*	*			trans	-102.2	129	157.6	-177	0	0	0	0	108.8
566	A	26.7	Very low	29.9	Very low	95 Å²	95	137.5 Å²	137.5	79%	0.785	81%	0.805	S	S	*	*			trans	-150.8	116.9	174.8	0	0	0	0	0	110.4
567	S	30.7	Very low	29.9	Very low	123 Å²	123	133.7 Å²	133.7	86%	0.86	80%	0.802	S	S	*	*			trans	-88.9	138.1	177.1	-53.4	0	0	0	0	111.1
568	A	29.5	Very low	30.1	Very low	103 Å²	103	134 Å²	134	85%	0.851	80%	0.804	S	S	*	*			trans	-145	139.6	164.1	0	0	0	0	0	110.7
569	I	36.7	Very low	29.8	Very low	163 Å²	163	139.9 Å²	139.9	84%	0.836	81%	0.814	S	S	*	*			trans	-99.9	118.5	-175.9	-63.6	167.4	0	0	0	109.8
570	Y	32.9	Very low	29.9	Very low	235 Å²	235	136.5 Å²	136.5	92%	0.922	81%	0.812	S	S	*	*			trans	-161.5	151.7	150.8	-94.2	-79.2	0	0	0	107
571	G	27.4	Very low	29.7	Very low	69 Å²	69	136.7 Å²	136.7	71%	0.711	81%	0.812	S	S	*	*			cis	135.4	95.6	-0.2	0	0	0	0	0	111.1
572	G	28.3	Very low	29.9	Very low	73 Å²	73	136.4 Å²	136.4	75%	0.753	81%	0.81	S	S	*	*			trans	112	137.2	-173.9	0	0	0	0	0	111.3
573	S	30.8	Very low	30.1	Very low	127 Å²	127	137.6 Å²	137.6	89%	0.888	82%	0.816	S	S	*	*			cis	77	77.3	31.1	-171.9	0	0	0	0	115.6
574	A	31	Very low	30.5	Very low	90 Å²	90	137 Å²	137	74%	0.744	82%	0.82	S	S	*	*			trans	-161.9	118.4	139.7	0	0	0	0	0	111
575	S	32	Very low	31.3	Very low	113 Å²	113	132.7 Å²	132.7	79%	0.79	82%	0.816	S	S	*	*			trans	-95.6	134.3	162.5	48	0	0	0	0	109.4
576	Y	29.6	Very low	31.4	Very low	227 Å²	227	133.2 Å²	133.2	89%	0.89	82%	0.815	S	S	*	*			trans	-137.7	146	167	-93.8	-82.8	0	0	0	110.3
577	S	30.8	Very low	31.4	Very low	111 Å²	111	135.2 Å²	135.2	78%	0.776	82%	0.822	S	S	*	*			trans	-130.6	147.9	-172.8	-64.6	0	0	0	0	111.5
578	A	29.9	Very low	31.4	Very low	87 Å²	87	133 Å²	133	72%	0.719	82%	0.818	S	S	*	*			trans	62.8	139.6	151.5	0	0	0	0	0	119.7
579	Y	28.7	Very low	31.4	Very low	245 Å²	245	134.8 Å²	134.8	96%	0.961	81%	0.813	S	S	*	*			trans	-130.5	144.1	137.7	-90.9	-77.1	0	0	0	109.7
580	S	27.6	Very low	31.1	Very low	122 Å²	122	134.6 Å²	134.6	85%	0.853	81%	0.808	S	S	*	*			trans	-144.8	151.7	173.5	-176.3	0	0	0	0	108.3
581	C	29.2	Very low	30.9	Very low	121 Å²	121	129.1 Å²	129.1	82%	0.818	80%	0.799	S	S	*	*			trans	-155.2	134.1	-168.3	-158.9	0	0	0	0	107.4
582	S	33	Very low	30.9	Very low	106 Å²	106	137.1 Å²	137.1	74%	0.741	81%	0.81	S	S	*	*			cis	-155	160.7	2.1	42.2	0	0	0	0	110.6
583	Q	33.1	Very low	30.9	Very low	192 Å²	192	138.3 Å²	138.3	90%	0.897	81%	0.806	S	S	*	*			trans	-141.9	152.3	164.4	-83.1	-168.5	-15	0	0	111.9
584	L	33.3	Very low	30.8	Very low	166 Å²	166	137.9 Å²	137.9	87%	0.869	80%	0.798	S	S	*	*			trans	-154	161.9	165.7	-90.7	175.4	0	0	0	107
585	P	45.9	Very low	30.8	Very low	106 Å²	106	144.4 Å²	144.4	69%	0.688	80%	0.804	S	S	*	*			cis	-133	173.7	11.6	38.5	-20.5	0	0	0	117.6
586	T	32	Very low	30.7	Very low	123 Å²	123	150.8 Å²	150.8	76%	0.755	81%	0.81	S	S	*	*			trans	71.1	110.7	147.9	37.2	0	0	0	0	123.3
587	C	27.6	Very low	30.7	Very low	138 Å²	138	150.3 Å²	150.3	93%	0.932	81%	0.807	S	S	*	*				71.2	135	123.3	-148.4	0	0	0	0	121.5
588	G	29.5	Very low	30.7	Very low	75 Å²	75	152.8 Å²	152.8	77%	0.773	81%	0.807	S	S	*	*			trans	152.4	118.5	169.9	0	0	0	0	0	113.6
589	D	30	Very low	30.9	Very low	142 Å²	142	157.5 Å²	157.5	76%	0.759	81%	0.811	S	S	*	*			trans	-79.6	153.7	-161.6	-127.1	-48.3	0	0	0	117.9
590	Q	30.3	Very low	31.5	Very low	158 Å²	158	151.7 Å²	151.7	74%	0.738	80%	0.803	S	S	*	*			trans	57.5	99.6	140.5	-118.4	158.2	108.2	0	0	124.6
591	V	28.2	Very low	31.6	Very low	120 Å²	120	150 Å²	150	73%	0.727	79%	0.792	S	S	*	*				32.3	121.1	121.6	-175.5	0	0	0	0	120.2
592	Y	27.6	Very low	31.6	Very low	237 Å²	237	151.1 Å²	151.1	93%	0.929	79%	0.789	S	S	*	*			trans	-143.7	167.5	131.7	-103	-76.1	0	0	0	110.6
593	S	29.3	Very low	31.4	Very low	98 Å²	98	157.6 Å²	157.6	69%	0.685	80%	0.797	S	S	*	*			trans	-140.7	174.2	-161.8	61.8	0	0	0	0	115.2
594	V	28.6	Very low	31.3	Very low	119 Å²	119	153.8 Å²	153.8	72%	0.721	80%	0.799	S	S	*	*			trans	99.4	103.3	162.4	-172.7	0	0	0	0	120.1
595	R	30.3	Very low	31.3	Very low	227 Å²	227	152.8 Å²	152.8	86%	0.857	79%	0.794	S	S	*	*			trans	44.8	102	134.8	-55.5	175.8	-176.8	164.9	0.4	122.8
596	R	30.3	Very low	30.5	Very low	246 Å²	246	153.1 Å²	153.1	93%	0.928	80%	0.799	S	S	*	*				35.5	117.7	98.8	-172.9	-162.8	-154	-162.4	10.2	119.4
597	R	29.8	Very low	30.5	Very low	217 Å²	217	158.2 Å²	158.2	82%	0.819	80%	0.804	S	S	*	*				-161.8	116.8	128.2	-156.2	169	179.8	162	1.5	117.6
598	Q	30.8	Very low	30.6	Very low	164 Å²	164	162.8 Å²	162.8	77%	0.766	80%	0.802	S	S	*	*			trans	55.8	173.6	149.7	-64.8	-177	-81.1	0	0	122.3
599	K	34.5	Very low	30.5	Very low	185 Å²	185	163.3 Å²	163.3	80%	0.804	79%	0.794	S	S	*	*			trans	-132.6	159.3	-151.8	-158.7	-168.5	179.4	-174.7	0	109.6
600	P	41.6	Very low	30.5	Very low	124 Å²	124	167.7 Å²	167.7	81%	0.805	80%	0.8	S	S	*	*				-140.3	-152.9	108.5	38.6	-23.5	0	0	0	114.2
601	S	29.6	Very low	30.5	Very low	87 Å²	87	168.1 Å²	168.1	61%	0.608	80%	0.802	S	S	*	*			trans	-99.4	171.2	-142.9	56.5	0	0	0	0	118.7
602	D	28.8	Very low	30.6	Very low	144 Å²	144	171.3 Å²	171.3	77%	0.77	81%	0.809	S	S	*	*			trans	94.7	148.5	149.9	-59.8	-50.8	0	0	0	122.4
603	R	28.8	Very low	30.6	Very low	242 Å²	242	169.3 Å²	169.3	91%	0.913	81%	0.808	S	S	*	*			trans	59.9	95.9	-177.4	-68.1	-169.6	168.7	89.7	1.7	116.7
604	A	31.3	Very low	30.7	Very low	112 Å²	112	169.3 Å²	169.3	93%	0.926	81%	0.808	S	S	*	*			trans	-85.1	107.8	162	0	0	0	0	0	111
605	D	32.3	Very low	30.9	Very low	144 Å²	144	169.9 Å²	169.9	77%	0.77	81%	0.814	S	S	*	*			trans	-152.8	107.9	154.5	-175.4	4.6	0	0	0	109.7
606	S	29.1	Very low	31.1	Very low	113 Å²	113	168.3 Å²	168.3	79%	0.79	81%	0.814	S	S	*	*			trans	-170.1	100.4	163.4	-87.6	0	0	0	0	113.7
607	R	32.7	Very low	31.3	Very low	230 Å²	230	165.7 Å²	165.7	87%	0.868	81%	0.812	S	S	*	*			trans	15.7	122.8	131.6	-55.6	173.4	-176.9	-125.5	-1.2	118.8
608	R	29.4	Very low	31.8	Very low	235 Å²	235	165.5 Å²	165.5	89%	0.887	82%	0.817	S	S	*	*				-141.4	108.3	128.6	-77.7	-163.5	-177.5	-101.2	0.3	107.2
609	S	27.5	Very low	32.3	Very low	85 Å²	85	165.8 Å²	165.8	59%	0.594	82%	0.818	S	S	*	*				75.9	100	71.4	74.2	0	0	0	0	113.7
610	W	30.4	Very low	32.1	Very low	234 Å²	234	166.2 Å²	166.2	89%	0.886	82%	0.82	S	S	*	*			trans	-142.9	114.3	153.5	-83	102.2	0	0	0	109.7
611	H	29.7	Very low	31.9	Very low	168 Å²	168	170 Å²	170	78%	0.778	82%	0.824	S	S	*	*			trans	51.3	137.1	158.7	-76.2	-119.9	0	0	0	121.8
612	E	29.9	Very low	32.5	Very low	187 Å²	187	176.9 Å²	176.9	87%	0.874	84%	0.837	S	S	*	*			trans	-82.9	146.8	162.6	-64.9	174.5	91.8	0	0	110.4
613	E	28.2	Very low	32.6	Very low	195 Å²	195	181.2 Å²	181.2	91%	0.911	84%	0.843	S	S	*	*			trans	-127.4	152.4	153	-72.1	-163.5	138.7	0	0	109.6
614	S	30.1	Very low	32.9	Very low	98 Å²	98	175.3 Å²	175.3	69%	0.685	84%	0.838	S	S	*	*			trans	-80.7	156.2	-158.6	86.1	0	0	0	0	114.6	F616	S614-F616 VanDerWaalsContact C-N 3.31Å; S614-F616 PolarHBondContact O-N 2.82Å
615	P	34.5	Very low	32.8	Very low	131 Å²	131	176.4 Å²	176.4	85%	0.851	84%	0.838	S	S	*	*	S	Bend	trans	-83.3	63.9	-171.7	35.6	-37.6	0	0	0	113.2
616	F	34	Very low	32.7	Very low	194 Å²	194	178 Å²	178	85%	0.851	84%	0.84	S	S	*	*			trans	-128.7	11.8	179.4	-119.4	-83.7	0	0	0	116.6	S614	S614-F616 VanDerWaalsContact C-N 3.31Å; S614-F616 PolarHBondContact O-N 2.82Å
617	E	35.2	Very low	33	Very low	191 Å²	191	180.1 Å²	180.1	89%	0.893	84%	0.84	S	S	*	*			trans	-130.1	49.9	-178	-143.6	172.8	-136.9	0	0	113.7
618	K	38.8	Very low	32.9	Very low	213 Å²	213	178.3 Å²	178.3	93%	0.926	84%	0.841	S	S	*	*			trans	-123.9	51.8	175.9	-78.9	-174.5	177.8	170.7	0	114
619	Q	41.6	Very low	33	Very low	169 Å²	169	175.8 Å²	175.8	79%	0.79	84%	0.837	S	S	*	*			trans	-140.7	171.7	160.6	-143.8	157	-6.2	0	0	110
620	F	30.5	Very low	33.1	Very low	194 Å²	194	175.7 Å²	175.7	85%	0.851	85%	0.85	S	S	*	*			trans	66	62	-179	-55	-74.3	0	0	0	117.8
621	K	37.4	Very low	33.3	Very low	205 Å²	205	173.6 Å²	173.6	89%	0.891	85%	0.85	S	S	*	*			trans	-137.9	75.8	144.6	-163.6	160.2	-170.9	164	0	113.4
622	R	41.3	Very low	33.1	Very low	230 Å²	230	170.7 Å²	170.7	87%	0.868	85%	0.848	S	S	*	*			trans	-165.5	158.7	163.6	-105.1	168.5	-163.5	-98.8	2.3	108.8
623	R	31.9	Very low	33.3	Very low	236 Å²	236	169.1 Å²	169.1	89%	0.891	84%	0.844	S	S	*	*			trans	69.8	103.2	-162.6	-50	173.2	-170.2	-108	1.9	109.2
624	S	35	Very low	33.5	Very low	117 Å²	117	167.9 Å²	167.9	82%	0.818	84%	0.841	S	S	*	*			cis	66.1	110.5	43.5	-154.6	0	0	0	0	111.4
625	C	30.2	Very low	33.5	Very low	136 Å²	136	167.5 Å²	167.5	92%	0.919	84%	0.838	S	S	*	*			trans	-68.2	130.1	177.9	-51.1	0	0	0	0	109.7
626	Q	30	Very low	33.3	Very low	176 Å²	176	169.5 Å²	169.5	82%	0.822	84%	0.836	S	S	*	*			trans	-133.8	122.8	172.3	-172.7	168	-4.8	0	0	105.4
627	M	33.8	Very low	33.1	Very low	159 Å²	159	165.5 Å²	165.5	78%	0.783	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-83.3	123.9	177.8	-80.3	172.2	53.9	0	0	109.1	F629	M627-F629 HydrophobicContact CE-CE2 3.93Å; M627-F629 HydrophobicContact CE-CZ 4.35Å
628	E	31.1	Very low	33	Very low	191 Å²	191	166.6 Å²	166.6	89%	0.893	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-89.6	126.2	166.6	-66.3	174.6	163.3	0	0	108
629	F	31.6	Very low	32.7	Very low	182 Å²	182	162 Å²	162	80%	0.798	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-93	129.3	163.2	-90	-92.5	0	0	0	107.6	M627	M627-F629 HydrophobicContact CE-CE2 3.93Å; M627-F629 HydrophobicContact CE-CZ 4.35Å
630	G	29.7	Very low	32.2	Very low	84 Å²	84	163.3 Å²	163.3	87%	0.866	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-75.1	129.8	177.8	0	0	0	0	0	111.8
631	E	34.2	Very low	32.3	Very low	189 Å²	189	160.8 Å²	160.8	88%	0.883	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-81	148.3	171.4	-61.4	-177.4	130.7	0	0	111.4
632	S	26.1	Very low	32.2	Very low	107 Å²	107	158.4 Å²	158.4	75%	0.748	80%	0.795	S	S	*	*			trans	-159.4	100	151.8	-84.8	0	0	0	0	113.8
633	I	33.2	Very low	31.7	Very low	154 Å²	154	155.1 Å²	155.1	79%	0.79	79%	0.793	S	S	*	*				81.2	146.1	129.2	-65.6	165.3	0	0	0	119
634	M	32.6	Very low	31.7	Very low	170 Å²	170	147.5 Å²	147.5	84%	0.837	79%	0.789	S	S	*	*			trans	78.5	136.3	-179.9	-41.3	-158	86.6	0	0	117.3
635	S	31.2	Very low	32.1	Very low	90 Å²	90	152.1 Å²	152.1	63%	0.629	79%	0.794	S	S	*	*			cis	-170.3	134.5	-24.2	-103.3	0	0	0	0	110.3
636	E	31	Very low	32.3	Very low	173 Å²	173	152.4 Å²	152.4	81%	0.808	79%	0.791	S	S	*	*			trans	58.4	153.9	161.9	-49.9	-174.9	108.6	0	0	117.7
637	N	29.5	Very low	32.5	Very low	109 Å²	109	147 Å²	147	58%	0.583	78%	0.782	S	S	*	*			cis	-154.7	144.8	27.8	-115.4	-64.5	0	0	0	112.9
638	R	32.6	Very low	32.6	Very low	215 Å²	215	145.6 Å²	145.6	81%	0.811	79%	0.789	S	S	*	*			trans	44.2	127.5	143.1	-64.1	168.8	-172	-147.4	-2.9	123.9
639	S	33.3	Very low	33	Very low	116 Å²	116	146 Å²	146	81%	0.811	79%	0.791	S	S	*	*			trans	68.3	157.5	132.2	68.9	0	0	0	0	120.3
640	R	30.5	Very low	33.2	Very low	197 Å²	197	143.2 Å²	143.2	74%	0.743	79%	0.793	S	S	*	*			cis	-175.2	149.4	-19.4	160.2	178.8	153.2	153.9	4.5	107.7
641	E	31.9	Very low	33.5	Very low	140 Å²	140	145.1 Å²	145.1	65%	0.654	79%	0.794	S	S	*	*			trans	59.7	176.1	172.5	-74.9	155.9	163.6	0	0	116
642	E	35.5	Very low	33.4	Very low	156 Å²	156	145.9 Å²	145.9	73%	0.729	79%	0.794	S	S	*	*				-162.5	165.4	-56.4	-160.7	-166.1	168.9	0	0	107.4
643	L	32	Very low	34	Very low	160 Å²	160	146.3 Å²	146.3	84%	0.838	80%	0.797	S	S	*	*			trans	67.6	155.9	168.9	-69.3	125	0	0	0	119.3
644	G	31.2	Very low	34	Very low	77 Å²	77	141.9 Å²	141.9	79%	0.794	79%	0.789	S	S	*	*			trans	121	104.4	155.3	0	0	0	0	0	117.4
645	K	43.5	Very low	34.2	Very low	213 Å²	213	139.1 Å²	139.1	93%	0.926	79%	0.787	S	S	*	*			trans	-109.4	100.7	163.8	-78.6	-175.8	179.4	177	0	111.5
646	V	33.3	Very low	34.6	Very low	142 Å²	142	143 Å²	143	86%	0.861	80%	0.797	S	S	*	*			trans	-157.2	144.2	154.2	179	0	0	0	0	103.9
647	G	34.1	Very low	35.1	Very low	62 Å²	62	143.1 Å²	143.1	64%	0.639	80%	0.798	S	S	*	*			cis	122	149.7	14.1	0	0	0	0	0	109.6
648	S	36.4	Very low	36	Very low	131 Å²	131	145 Å²	145	92%	0.916	81%	0.806	S	S	*	*			trans	75.4	165.6	179.1	-57.7	0	0	0	0	118
649	Q	40.3	Very low	36.6	Very low	200 Å²	200	141.7 Å²	141.7	94%	0.935	80%	0.803	S	S	*	*			trans	-76.6	155.2	-164.1	-60.2	160.4	-39.2	0	0	113.7
650	S	34.5	Very low	37.1	Very low	123 Å²	123	144.5 Å²	144.5	86%	0.86	80%	0.803	S	S	*	*			trans	-133.3	137.3	159.2	59.3	0	0	0	0	111.1
651	S	36.1	Very low	37.6	Very low	124 Å²	124	141.6 Å²	141.6	87%	0.867	81%	0.807	S	S	*	*			trans	-80.1	137.4	-175.3	-50.3	0	0	0	0	111.7
652	F	31.8	Very low	38.4	Very low	205 Å²	205	143.8 Å²	143.8	90%	0.899	84%	0.838	S	S	*	*			trans	-91.1	102.3	167.8	-155.2	-89.9	0	0	0	109.8	G654	F652-G654 PolarHBondContact O-N 2.89Å; F652-G654 VanDerWaalsContact O-N 3.15Å
653	S	38.8	Very low	38.6	Very low	116 Å²	116	143.2 Å²	143.2	81%	0.811	84%	0.843	S	S	*	*			trans	-79.4	94.3	178.1	-167.6	0	0	0	0	110.5
654	G	33.8	Very low	38.9	Very low	60 Å²	60	142.3 Å²	142.3	62%	0.619	84%	0.844	S	S	*	*			trans	-91.5	104.3	168.8	0	0	0	0	0	110.5	F652 M656	F652-G654 PolarHBondContact O-N 2.89Å; F652-G654 VanDerWaalsContact O-N 3.15Å; G654-M656 PolarHBondContact O-N 3.39Å; G654-M656 VanDerWaalsContact O-N 3.17Å
655	S	36.4	Very low	39.4	Very low	113 Å²	113	145.9 Å²	145.9	79%	0.79	85%	0.847	S	S	*	*			trans	-68.5	107.3	173.5	49.3	0	0	0	0	110.5
656	M	39.2	Very low	39.1	Very low	170 Å²	170	142 Å²	142	84%	0.837	84%	0.842	S	S	*	*			trans	-93.4	102.2	175.6	-176.2	126.4	66.9	0	0	109.8	G654 I658	G654-M656 PolarHBondContact O-N 3.39Å; G654-M656 VanDerWaalsContact O-N 3.17Å; M656-I658 PolarHBondContact O-N 2.97Å
657	E	41.8	Very low	39.5	Very low	177 Å²	177	142 Å²	142	83%	0.827	84%	0.841	S	S	*	*			trans	-74.9	122.3	170.4	-68.5	-172	147.7	0	0	110
658	I	49.4	Very low	39.8	Very low	147 Å²	147	147.3 Å²	147.3	75%	0.754	85%	0.854	S	S	*	*			trans	-95.6	118.2	174	-63.3	169.7	0	0	0	107.2	M656	M656-I658 PolarHBondContact O-N 2.97Å
659	I	44.7	Very low	40.1	Very low	146 Å²	146	148.5 Å²	148.5	75%	0.749	85%	0.85	S	S	*	*			trans	-93	102.8	172.6	-58	176.8	0	0	0	107.8	V661	I659-V661 HydrophobicContact CG2-CG2 4.43Å
660	E	44.7	Very low	40.1	Very low	176 Å²	176	144.5 Å²	144.5	82%	0.822	84%	0.843	S	S	*	*			trans	-67.9	140.8	163	-69.4	-171.2	120.8	0	0	109.9
661	V	40.6	Very low	40.5	Very low	135 Å²	135	146.3 Å²	146.3	82%	0.818	84%	0.842	S	S	*	*			trans	-118.1	109.9	176.9	-177.6	0	0	0	0	107.9	I659	I659-V661 HydrophobicContact CG2-CG2 4.43Å
662	S	49	Very low	40.9	Very low	187 Å²	187	148.4 Å²	148.4	100%	1.308	84%	0.839	S	S	*	*			trans	-88.7	0	172.5	-52.4	0	0	0	0	112

Retrieved 662 of 662 residues in 170.5 ms (Link to these results)

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