A0A5K4F018_SCHMA Loading...

Choline/ethanolamine kinase

AlphaFold DB , UniProt , Accession A0A5K4F018, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 464 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	31.1	Very low	48.6	Very low	243 Å²	243	96.4 Å²	96.4	100%	1.197	55%	0.553	S	S	*	*				0	122.6	0	-70	172.8	-171.9	0	0	106.9	A3	M1-A3 PolarHBondContact O-N 3.29Å
2	S	32.3	Very low	49.5	Very low	110 Å²	110	89.8 Å²	89.8	77%	0.769	52%	0.515	S	S	*	.			trans	-63.5	115.9	174.8	55	0	0	0	0	108	V4	S2-V4 PolarHBondContact O-N 3.4Å
3	A	39.9	Very low	50.2	Low	85 Å²	85	90.9 Å²	90.9	70%	0.702	51%	0.513	S	S	*	.			trans	-57.6	112.1	173.6	0	0	0	0	0	108.1	M1 K5	M1-A3 PolarHBondContact O-N 3.29Å; A3-K5 PolarHBondContact O-N 3.18Å
4	V	43.5	Very low	50.9	Low	69 Å²	69	91.9 Å²	91.9	42%	0.418	52%	0.516	S	S	.	.			trans	-75.6	115.1	178.7	-175.8	0	0	0	0	105.1	S2 F6 E28 K210	S2-V4 PolarHBondContact O-N 3.4Å; V4-F6 PolarHBondContact O-N 3.03Å; V4-F6 VanDerWaalsContact O-N 3.11Å; V4-E28 WeakPolarHBondContact CA-OE1 3.17Å; V4-E28 WeakPolarHBondContact CB-OE1 3.27Å; V4-E28 PolarHBondContact N-OE1 2.99Å; V4-E28 VanDerWaalsContact N-OE1 3.08Å; V4-K210 HydrophobicContact CG1-CD 3.96Å; V4-K210 VanDerWaalsContact CG1-CE 3.44Å
5	K	50	Low	51.8	Low	188 Å²	188	87.7 Å²	87.7	82%	0.817	50%	0.501	S	S	*	.			trans	-67.9	114.6	171.6	-94.1	-177.5	173	-177.7	0	107.2	A3 K210	A3-K5 PolarHBondContact O-N 3.18Å; K5-K210 PolarHBondContact O-NZ 3.41Å
6	F	53	Low	52.9	Low	26 Å²	26	82.4 Å²	82.4	11%	0.114	47%	0.471	C	S	.	.			trans	-90	131.2	165.1	176.7	-113.9	0	0	0	108.8	V4 L8 E28 T203 E206 L207	V4-F6 PolarHBondContact O-N 3.03Å; V4-F6 VanDerWaalsContact O-N 3.11Å; F6-L8 HydrophobicContact CD1-CD2 4.49Å; F6-L8 HydrophobicContact CE1-CD2 3.38Å; F6-L8 HydrophobicContact CE1-CG 3.79Å; F6-L8 HydrophobicContact CZ-CD2 3.5Å; F6-L8 VanDerWaalsContact CZ-CD2 3.5Å; F6-L8 HydrophobicContact CZ-CG 4.3Å; F6-E28 HydrophobicContact CB-CB 4.46Å; F6-T203 HydrophobicContact CE1-CG2 4.47Å; F6-T203 HydrophobicContact CE2-CG2 4.15Å; F6-T203 HydrophobicContact CZ-CG2 3.5Å; F6-E206 HydrophobicContact CD2-CG 4.34Å; F6-E206 HydrophobicContact CE2-CB 4.39Å; F6-E206 HydrophobicContact CE2-CG 4.38Å; F6-L207 HydrophobicContact CD1-CD2 4.48Å; F6-L207 HydrophobicContact CD2-CD2 3.89Å; F6-L207 HydrophobicContact CD2-CG 4.35Å; F6-L207 HydrophobicContact CE1-CD2 4.03Å; F6-L207 HydrophobicContact CE1-CG 4.44Å; F6-L207 HydrophobicContact CE2-CD1 4.2Å; F6-L207 HydrophobicContact CE2-CD2 3.4Å; F6-L207 VanDerWaalsContact CE2-CD2 3.4Å; F6-L207 HydrophobicContact CE2-CG 3.43Å; F6-L207 VanDerWaalsContact CE2-CG 3.43Å; F6-L207 HydrophobicContact CG-CD2 4.37Å; F6-L207 HydrophobicContact CZ-CD1 3.69Å; F6-L207 HydrophobicContact CZ-CD2 3.43Å; F6-L207 VanDerWaalsContact CZ-CD2 3.43Å; F6-L207 HydrophobicContact CZ-CG 3.45Å; F6-L207 VanDerWaalsContact CZ-CG 3.45Å
7	T	55.4	Low	53.7	Low	100 Å²	100	78.1 Å²	78.1	61%	0.613	45%	0.447	S	S	*	.			trans	-126.9	113.6	-178.7	-21.4	0	0	0	0	107.4
8	L	55.1	Low	54.5	Low	14 Å²	14	73.8 Å²	73.8	7%	0.073	42%	0.422	C	S	.	.			trans	-62.5	144.7	175.9	-74.1	178.9	0	0	0	110.8	F6 D12 P17 S32 H36 F199 T203	F6-L8 HydrophobicContact CD1-CD2 4.49Å; F6-L8 HydrophobicContact CE1-CD2 3.38Å; F6-L8 HydrophobicContact CE1-CG 3.79Å; F6-L8 HydrophobicContact CZ-CD2 3.5Å; F6-L8 VanDerWaalsContact CZ-CD2 3.5Å; F6-L8 HydrophobicContact CZ-CG 4.3Å; L8-D12 HydrophobicContact CB-CB 4.11Å; L8-D12 HydrophobicContact CD1-CB 4.48Å; L8-D12 HydrophobicContact CD2-CB 4.42Å; L8-P17 HydrophobicContact CD1-CG 4.41Å; L8-S32 WeakPolarHBondContact CD1-OG 3.45Å; L8-S32 WeakPolarHBondContact CG-OG 3.2Å; L8-H36 WeakPolarHBondContact CD1-CE1 3.34Å; L8-F199 HydrophobicContact CD1-CE1 3.93Å; L8-F199 HydrophobicContact CD2-CD1 3.58Å; L8-F199 HydrophobicContact CD2-CE1 3.39Å; L8-F199 HydrophobicContact CD2-CG 4.49Å; L8-F199 HydrophobicContact CD2-CZ 4.22Å; L8-F199 HydrophobicContact CG-CE1 4.36Å; L8-T203 HydrophobicContact CD2-CG2 3.18Å
9	S	56.7	Low	55.1	Low	18 Å²	18	70.2 Å²	70.2	13%	0.126	40%	0.402	C	S	.	.			trans	-58.3	156.9	175.1	81.2	0	0	0	0	111.1	D11 D12 S200 T203	S9-D11 PolarHBondContact O-N 2.85Å; S9-D11 VanDerWaalsContact O-N 3.09Å; S9-D11 PolarHBondContact OG-N 2.68Å; S9-D12 PolarHBondContact O-N 2.96Å; S9-D12 PolarHBondContact OG-OD2 3.02Å; S9-S200 WeakPolarHBondContact CB-OG 2.96Å; S9-S200 VanDerWaalsContact OG-CB 3.31Å; S9-S200 WeakPolarHBondContact OG-CB 3.46Å; S9-S200 PolarHBondContact OG-OG 3.14Å; S9-T203 PolarHBondContact N-OG1 3.18Å; S9-T203 VanDerWaalsContact N-OG1 3.15Å
10	S	59.2	Low	55.5	Low	88 Å²	88	67 Å²	67	62%	0.615	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-53.1	-31.7	175.5	49.6	0	0	0	0	112.9	D12 Q13	S10-D12 PolarHBondContact O-N 2.9Å; S10-Q13 PolarHBondContact O-N 3.49Å
11	D	58.5	Low	55.6	Low	119 Å²	119	64.2 Å²	64.2	64%	0.636	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-74.5	-16.8	-174.8	-54.1	-17.6	0	0	0	112.2	S9	S9-D11 PolarHBondContact O-N 2.85Å; S9-D11 VanDerWaalsContact O-N 3.09Å; S9-D11 PolarHBondContact OG-N 2.68Å
12	D	59.9	Low	56.9	Low	18 Å²	18	52.8 Å²	52.8	10%	0.096	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-96.8	-2.7	-178.9	-62.6	-54.1	0	0	0	113.4	L8 S9 S10 D14 H36 F199 S200 T203	L8-D12 HydrophobicContact CB-CB 4.11Å; L8-D12 HydrophobicContact CD1-CB 4.48Å; L8-D12 HydrophobicContact CD2-CB 4.42Å; S9-D12 PolarHBondContact O-N 2.96Å; S9-D12 PolarHBondContact OG-OD2 3.02Å; S10-D12 PolarHBondContact O-N 2.9Å; D12-D14 VanDerWaalsContact C-N 3.3Å; D12-D14 PolarHBondContact O-N 2.85Å; D12-H36 PolarHBondContact O-CD2 2.73Å; D12-H36 PolarHBondContact O-NE2 3.11Å; D12-F199 WeakPolarHBondContact OD1-CA 3.35Å; D12-S200 PolarHBondContact OD1-N 2.81Å; D12-S200 VanDerWaalsContact OD2-CB 3.31Å; D12-S200 WeakPolarHBondContact OD2-CB 3.44Å; D12-S200 PolarHBondContact OD2-N 2.76Å; D12-S200 PolarHBondContact OD2-OG 3.45Å; D12-T203 WeakPolarHBondContact OD2-CB 3.45Å; D12-T203 PolarHBondContact OD2-OG1 2.97Å
13	Q	57.7	Low	57.9	Low	104 Å²	104	49.5 Å²	49.5	49%	0.486	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-17	-168.7	-67.1	-168	2.5	0	0	115	S10	S10-Q13 PolarHBondContact O-N 3.49Å
14	D	59.7	Low	58.4	Low	105 Å²	105	50.7 Å²	50.7	56%	0.561	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-16.4	-175.7	-77.3	-28.5	0	0	0	114	D12 Q40 K43	D12-D14 VanDerWaalsContact C-N 3.3Å; D12-D14 PolarHBondContact O-N 2.85Å; D14-Q40 PolarHBondContact O-NE2 3.47Å; D14-K43 IonicContact OD1-NZ 3.37Å; D14-K43 PolarHBondContact OD1-NZ 2.86Å
15	G	64.3	Low	58.7	Low	28 Å²	28	53.6 Å²	53.6	29%	0.289	30%	0.3	S	S	.	.	S	Bend	trans	-105.8	154.5	177.9	0	0	0	0	0	112.8	H36	G15-H36 PolarHBondContact O-CD2 2.84Å; G15-H36 VanDerWaalsContact O-CD2 3.28Å
16	V	69.5	Low	58.9	Low	4 Å²	4	45.3 Å²	45.3	2%	0.024	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-97.4	118.2	166.2	-177.6	0	0	0	0	108.7	I33 H36 L37 Q40 V92 R98 F127 P128	V16-I33 HydrophobicContact CG1-CG2 4.03Å; V16-H36 HydrophobicContact CG2-CB 4.17Å; V16-L37 HydrophobicContact CG1-CD2 4.11Å; V16-L37 HydrophobicContact CG2-CD2 3.79Å; V16-Q40 HydrophobicContact CG2-CG 4.3Å; V16-V92 HydrophobicContact CG1-CG1 3.87Å; V16-V92 HydrophobicContact CG1-CG2 4.22Å; V16-R98 PolarHBondContact O-NH1 2.79Å; V16-R98 PolarHBondContact O-NH2 2.99Å; V16-F127 HydrophobicContact CB-CE2 4.14Å; V16-F127 HydrophobicContact CG2-CD2 3.94Å; V16-F127 HydrophobicContact CG2-CE2 3.54Å; V16-F127 HydrophobicContact CG2-CZ 4.42Å; V16-P128 PolarHBondContact N-O 2.7Å
17	P	66.3	Low	59.2	Low	8 Å²	8	50 Å²	50	5%	0.052	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-55.2	142.7	177.8	-23.8	33.5	0	0	0	111.6	L8 P19 I22 F199	L8-P17 HydrophobicContact CD1-CG 4.41Å; P17-P19 VanDerWaalsContact O-CD 3.31Å; P17-P19 WeakPolarHBondContact O-CD 3.35Å; P17-I22 HydrophobicContact CB-CD1 3.76Å; P17-F199 HydrophobicContact CB-CE1 3.61Å; P17-F199 HydrophobicContact CB-CZ 3.6Å; P17-F199 HydrophobicContact CG-CD1 4.13Å; P17-F199 HydrophobicContact CG-CE1 3.18Å; P17-F199 HydrophobicContact CG-CZ 3.61Å
18	C	68.8	Low	59.4	Low	2 Å²	2	47.4 Å²	47.4	1%	0.014	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-67	121.6	175.5	-168.9	0	0	0	0	108.1	D20 S21 E95 R98	C18-D20 PolarHBondContact O-N 2.92Å; C18-S21 PolarHBondContact O-N 3.37Å; C18-E95 PolarHBondContact SG-OE2 3.28Å; C18-E95 VanDerWaalsContact SG-OE2 3.38Å; C18-R98 VanDerWaalsContact N-NH1 3.16Å
19	P	66.3	Low	59.7	Low	4 Å²	4	47.2 Å²	47.2	3%	0.026	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-61.9	-28.2	178.9	-22.8	35.1	0	0	0	112.2	P17 S21 I22 I33 Y68 V92	P17-P19 VanDerWaalsContact O-CD 3.31Å; P17-P19 WeakPolarHBondContact O-CD 3.35Å; P19-S21 VanDerWaalsContact C-N 3.28Å; P19-S21 PolarHBondContact O-N 2.94Å; P19-I22 PolarHBondContact O-N 3.26Å; P19-I22 VanDerWaalsContact O-O 3.09Å; P19-I33 HydrophobicContact CB-CD1 4.43Å; P19-I33 HydrophobicContact CG-CD1 4.25Å; P19-Y68 HydrophobicContact CB-CD1 3.96Å; P19-Y68 HydrophobicContact CB-CD2 3.81Å; P19-Y68 HydrophobicContact CB-CE1 3.76Å; P19-Y68 HydrophobicContact CB-CE2 3.62Å; P19-Y68 HydrophobicContact CB-CG 3.98Å; P19-Y68 HydrophobicContact CG-CD1 4.15Å; P19-Y68 HydrophobicContact CG-CD2 3.52Å; P19-Y68 HydrophobicContact CG-CE1 4.4Å; P19-Y68 HydrophobicContact CG-CE2 3.84Å; P19-Y68 HydrophobicContact CG-CG 3.7Å; P19-V92 HydrophobicContact CG-CG1 4.22Å
20	D	62.6	Low	60.2	Low	7 Å²	7	49.1 Å²	49.1	4%	0.037	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-64.4	-30.3	177.4	-67	-50.7	0	0	0	113.6	C18 I22 Y68 G94 E95 R194 S436	C18-D20 PolarHBondContact O-N 2.92Å; D20-I22 PolarHBondContact O-N 3Å; D20-Y68 PolarHBondContact OD1-OH 3.43Å; D20-G94 VanDerWaalsContact OD2-CA 3.26Å; D20-G94 WeakPolarHBondContact OD2-CA 3.32Å; D20-E95 HydrophobicContact CB-CB 4.04Å; D20-E95 PolarHBondContact OD2-N 3.15Å; D20-R194 WeakPolarHBondContact O-CD 3.03Å; D20-R194 PolarHBondContact O-NE 2.93Å; D20-S436 PolarHBondContact OD1-N 2.71Å; D20-S436 PolarHBondContact OD1-OG 2.93Å
21	S	58.8	Low	60.8	Low	9 Å²	9	51.5 Å²	51.5	6%	0.063	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-72.5	-6.8	179.2	-58.2	0	0	0	0	113.3	C18 P19 P195 P197	C18-S21 PolarHBondContact O-N 3.37Å; P19-S21 VanDerWaalsContact C-N 3.28Å; P19-S21 PolarHBondContact O-N 2.94Å; S21-P195 WeakPolarHBondContact CB-O 3.35Å; S21-P195 PolarHBondContact OG-O 2.58Å; S21-P195 VanDerWaalsContact OG-O 3.14Å; S21-P197 VanDerWaalsContact CB-CA 3.42Å; S21-P197 WeakPolarHBondContact O-CG 3.46Å
22	I	58.1	Low	61.5	Low	3 Å²	3	46.6 Å²	46.6	2%	0.015	26%	0.256	C	S	.	.	S	Bend	trans	-129.2	127.2	-164.9	-49	171.1	0	0	0	110.4	P17 P19 D20 L24 I29 P197 F199	P17-I22 HydrophobicContact CB-CD1 3.76Å; P19-I22 PolarHBondContact O-N 3.26Å; P19-I22 VanDerWaalsContact O-O 3.09Å; D20-I22 PolarHBondContact O-N 3Å; I22-L24 PolarHBondContact O-N 3.5Å; I22-L24 VanDerWaalsContact O-N 3.14Å; I22-I29 HydrophobicContact CB-CG2 4.24Å; I22-I29 HydrophobicContact CD1-CG2 3.78Å; I22-I29 HydrophobicContact CG2-CB 4.26Å; I22-I29 HydrophobicContact CG2-CD1 3.15Å; I22-I29 HydrophobicContact CG2-CG1 4.1Å; I22-I29 HydrophobicContact CG2-CG2 3.59Å; I22-P197 HydrophobicContact CG1-CB 4.32Å; I22-P197 HydrophobicContact CG1-CG 4.31Å; I22-F199 HydrophobicContact CD1-CE2 3.58Å; I22-F199 HydrophobicContact CD1-CZ 3.49Å; I22-F199 VanDerWaalsContact CD1-CZ 3.49Å; I22-F199 HydrophobicContact CG1-CE2 4.02Å; I22-F199 HydrophobicContact CG1-CZ 4.43Å
23	P	52	Low	62.4	Low	41 Å²	41	46 Å²	46	27%	0.266	25%	0.253	S	S	.	.			trans	-56.2	121.9	176.4	-22.8	32.4	0	0	0	111	T25	P23-T25 PolarHBondContact O-N 3.19Å
24	L	51.2	Low	63.7	Low	109 Å²	109	42.6 Å²	42.6	57%	0.571	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-4	-176.7	-72.4	165.2	0	0	0	114.3	I22 V26	I22-L24 PolarHBondContact O-N 3.5Å; I22-L24 VanDerWaalsContact O-N 3.14Å; L24-V26 PolarHBondContact O-N 3.48Å; L24-V26 VanDerWaalsContact O-N 3.12Å
25	T	50	Low	65	Low	131 Å²	131	39 Å²	39	80%	0.804	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	16.3	-175.6	51.2	0	0	0	0	114.2	P23	P23-T25 PolarHBondContact O-N 3.19Å
26	V	52.9	Low	66	Low	13 Å²	13	38.6 Å²	38.6	8%	0.079	22%	0.218	C	C	.	.			trans	-128.3	95.6	-168.5	-165	0	0	0	0	111.5	L24 E28 I29 T30 F212	L24-V26 PolarHBondContact O-N 3.48Å; L24-V26 VanDerWaalsContact O-N 3.12Å; V26-E28 HydrophobicContact CG1-CB 3.92Å; V26-E28 HydrophobicContact CG1-CG 4.48Å; V26-E28 PolarHBondContact O-N 3.25Å; V26-I29 HydrophobicContact CB-CB 4.16Å; V26-I29 HydrophobicContact CB-CD1 3.58Å; V26-I29 HydrophobicContact CB-CG1 3.88Å; V26-I29 HydrophobicContact CG1-CB 4.35Å; V26-I29 HydrophobicContact CG1-CD1 3.69Å; V26-I29 HydrophobicContact CG1-CG1 3.72Å; V26-I29 HydrophobicContact CG2-CD1 3.83Å; V26-I29 PolarHBondContact O-N 3.04Å; V26-T30 PolarHBondContact O-N 3.08Å; V26-F212 HydrophobicContact CB-CE1 4.22Å; V26-F212 HydrophobicContact CB-CZ 4.25Å; V26-F212 HydrophobicContact CG1-CE1 3.97Å; V26-F212 HydrophobicContact CG1-CE2 4.37Å; V26-F212 HydrophobicContact CG1-CZ 3.5Å; V26-F212 VanDerWaalsContact CG1-CZ 3.5Å; V26-F212 HydrophobicContact CG2-CD1 4.04Å; V26-F212 HydrophobicContact CG2-CE1 3.18Å; V26-F212 HydrophobicContact CG2-CZ 3.67Å
27	D	60.5	Low	67	Low	126 Å²	126	38.4 Å²	38.4	67%	0.674	22%	0.217	S	C	*	.	H	α-helix	trans	-49.2	-31.6	172.5	-79.1	-11.3	0	0	0	113	I29 K31	D27-I29 VanDerWaalsContact C-N 3.28Å; D27-I29 PolarHBondContact O-N 3.11Å; D27-K31 VanDerWaalsContact O-CG 3.28Å; D27-K31 WeakPolarHBondContact O-CG 3.36Å; D27-K31 PolarHBondContact O-N 2.97Å; D27-K31 VanDerWaalsContact O-N 3.17Å
28	E	60.4	Low	68.2	Low	45 Å²	45	40.3 Å²	40.3	21%	0.21	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-30.5	179.4	-58.5	-179.5	177.2	0	0	112.2	V4 F6 V26 S32	V4-E28 WeakPolarHBondContact CA-OE1 3.17Å; V4-E28 WeakPolarHBondContact CB-OE1 3.27Å; V4-E28 PolarHBondContact N-OE1 2.99Å; V4-E28 VanDerWaalsContact N-OE1 3.08Å; F6-E28 HydrophobicContact CB-CB 4.46Å; V26-E28 HydrophobicContact CG1-CB 3.92Å; V26-E28 HydrophobicContact CG1-CG 4.48Å; V26-E28 PolarHBondContact O-N 3.25Å; E28-S32 PolarHBondContact O-N 2.86Å
29	I	60.2	Low	69.2	Low	10 Å²	10	42.5 Å²	42.5	5%	0.051	24%	0.237	C	C	.	.	H	α-helix	trans	-83	-41.4	-177.6	-66.4	170.2	0	0	0	110.1	I22 V26 D27 K31 S32 I33 L207	I22-I29 HydrophobicContact CB-CG2 4.24Å; I22-I29 HydrophobicContact CD1-CG2 3.78Å; I22-I29 HydrophobicContact CG2-CB 4.26Å; I22-I29 HydrophobicContact CG2-CD1 3.15Å; I22-I29 HydrophobicContact CG2-CG1 4.1Å; I22-I29 HydrophobicContact CG2-CG2 3.59Å; V26-I29 HydrophobicContact CB-CB 4.16Å; V26-I29 HydrophobicContact CB-CD1 3.58Å; V26-I29 HydrophobicContact CB-CG1 3.88Å; V26-I29 HydrophobicContact CG1-CB 4.35Å; V26-I29 HydrophobicContact CG1-CD1 3.69Å; V26-I29 HydrophobicContact CG1-CG1 3.72Å; V26-I29 HydrophobicContact CG2-CD1 3.83Å; V26-I29 PolarHBondContact O-N 3.04Å; D27-I29 VanDerWaalsContact C-N 3.28Å; D27-I29 PolarHBondContact O-N 3.11Å; I29-K31 PolarHBondContact O-N 2.72Å; I29-S32 CarbonylContact O-C 3.53Å; I29-S32 WeakPolarHBondContact O-CA 3.38Å; I29-S32 VanDerWaalsContact O-CB 3.26Å; I29-S32 WeakPolarHBondContact O-CB 3.42Å; I29-S32 PolarHBondContact O-N 3.19Å; I29-I33 HydrophobicContact CG2-CD1 4.13Å; I29-I33 WeakPolarHBondContact O-CG1 3.43Å; I29-I33 PolarHBondContact O-N 2.98Å; I29-L207 HydrophobicContact CD1-CD2 4.47Å
30	T	66.8	Low	70.5	Confident	57 Å²	57	43 Å²	43	35%	0.35	24%	0.239	S	C	.	.	H	α-helix	trans	-57	-42.4	171	-52.8	0	0	0	0	110.6	V26 S32 I33 V34	V26-T30 PolarHBondContact O-N 3.08Å; T30-S32 VanDerWaalsContact C-N 3.3Å; T30-S32 PolarHBondContact O-N 3.5Å; T30-I33 PolarHBondContact O-N 2.98Å; T30-V34 HydrophobicContact CG2-CG2 4.49Å; T30-V34 WeakPolarHBondContact O-CB 3.48Å; T30-V34 VanDerWaalsContact O-CG2 3.23Å; T30-V34 WeakPolarHBondContact O-CG2 3.28Å; T30-V34 PolarHBondContact O-N 3.49Å
31	K	72	Confident	71.9	Confident	138 Å²	138	42.6 Å²	42.6	60%	0.6	24%	0.238	S	C	*	.	H	α-helix	trans	-61.4	-38.5	173.4	-73.2	170.8	-172.5	168.5	0	112.5	D27 I29 G35	D27-K31 VanDerWaalsContact O-CG 3.28Å; D27-K31 WeakPolarHBondContact O-CG 3.36Å; D27-K31 PolarHBondContact O-N 2.97Å; D27-K31 VanDerWaalsContact O-N 3.17Å; I29-K31 PolarHBondContact O-N 2.72Å; K31-G35 PolarHBondContact O-N 3.49Å
32	S	73.3	Confident	73.6	Confident	16 Å²	16	43.3 Å²	43.3	11%	0.112	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-49.7	176.2	-169.7	0	0	0	0	112	L8 E28 I29 T30 V34 G35 H36	L8-S32 WeakPolarHBondContact CD1-OG 3.45Å; L8-S32 WeakPolarHBondContact CG-OG 3.2Å; E28-S32 PolarHBondContact O-N 2.86Å; I29-S32 CarbonylContact O-C 3.53Å; I29-S32 WeakPolarHBondContact O-CA 3.38Å; I29-S32 VanDerWaalsContact O-CB 3.26Å; I29-S32 WeakPolarHBondContact O-CB 3.42Å; I29-S32 PolarHBondContact O-N 3.19Å; T30-S32 VanDerWaalsContact C-N 3.3Å; T30-S32 PolarHBondContact O-N 3.5Å; S32-V34 PolarHBondContact O-N 2.89Å; S32-G35 PolarHBondContact O-N 2.94Å; S32-G35 VanDerWaalsContact O-N 3.14Å; S32-H36 PolarHBondContact O-N 3.33Å; S32-H36 PolarHBondContact O-ND1 3.25Å
33	I	79.4	Confident	75.2	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.036	26%	0.263	C	S	.	.	H	α-helix	trans	-57.5	-50.8	176	-67.7	166.6	0	0	0	109.7	V16 P19 I29 T30 G35 H36 L37 Y70	V16-I33 HydrophobicContact CG1-CG2 4.03Å; P19-I33 HydrophobicContact CB-CD1 4.43Å; P19-I33 HydrophobicContact CG-CD1 4.25Å; I29-I33 HydrophobicContact CG2-CD1 4.13Å; I29-I33 WeakPolarHBondContact O-CG1 3.43Å; I29-I33 PolarHBondContact O-N 2.98Å; T30-I33 PolarHBondContact O-N 2.98Å; I33-G35 VanDerWaalsContact C-N 3.27Å; I33-G35 PolarHBondContact O-N 2.78Å; I33-H36 PolarHBondContact O-N 3.24Å; I33-L37 HydrophobicContact CG2-CD1 3.82Å; I33-L37 HydrophobicContact CG2-CG 4.16Å; I33-L37 VanDerWaalsContact O-CG 3.3Å; I33-L37 WeakPolarHBondContact O-CG 3.26Å; I33-L37 PolarHBondContact O-N 2.89Å; I33-Y70 HydrophobicContact CG2-CE1 4.32Å; I33-Y70 HydrophobicContact CG2-CE2 4.33Å
34	V	85.2	Confident	77.1	Confident	31 Å²	31	48.3 Å²	48.3	19%	0.188	26%	0.262	C	S	.	.	H	α-helix	trans	-55.5	-43.3	176.6	167.4	0	0	0	0	111.1	T30 S32 H36 L37 K38 V57 Y70	T30-V34 HydrophobicContact CG2-CG2 4.49Å; T30-V34 WeakPolarHBondContact O-CB 3.48Å; T30-V34 VanDerWaalsContact O-CG2 3.23Å; T30-V34 WeakPolarHBondContact O-CG2 3.28Å; T30-V34 PolarHBondContact O-N 3.49Å; S32-V34 PolarHBondContact O-N 2.89Å; V34-H36 PolarHBondContact O-N 2.63Å; V34-L37 PolarHBondContact O-N 2.97Å; V34-K38 HydrophobicContact CG1-CD 4.4Å; V34-K38 WeakPolarHBondContact O-CG 3.29Å; V34-K38 PolarHBondContact O-N 3.4Å; V34-V57 HydrophobicContact CG1-CB 4.2Å; V34-Y70 HydrophobicContact CG2-CE1 4.3Å
35	G	86.1	Confident	79.1	Confident	31 Å²	31	44.4 Å²	44.4	32%	0.32	24%	0.241	S	C	.	.	H	α-helix	trans	-57.8	-43.8	174.9	0	0	0	0	0	113.4	K31 S32 I33 K38 T39	K31-G35 PolarHBondContact O-N 3.49Å; S32-G35 PolarHBondContact O-N 2.94Å; S32-G35 VanDerWaalsContact O-N 3.14Å; I33-G35 VanDerWaalsContact C-N 3.27Å; I33-G35 PolarHBondContact O-N 2.78Å; G35-K38 PolarHBondContact O-N 2.89Å; G35-T39 PolarHBondContact O-N 3.34Å; G35-T39 VanDerWaalsContact O-N 3.08Å; G35-T39 PolarHBondContact O-OG1 3.17Å
36	H	85.2	Confident	80.9	Confident	18 Å²	18	41.3 Å²	41.3	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-68.2	-42.2	177.9	-71.6	63.5	0	0	0	111.4	L8 D12 G15 V16 S32 I33 V34 K38 T39 Q40	L8-H36 WeakPolarHBondContact CD1-CE1 3.34Å; D12-H36 PolarHBondContact O-CD2 2.73Å; D12-H36 PolarHBondContact O-NE2 3.11Å; G15-H36 PolarHBondContact O-CD2 2.84Å; G15-H36 VanDerWaalsContact O-CD2 3.28Å; V16-H36 HydrophobicContact CG2-CB 4.17Å; S32-H36 PolarHBondContact O-N 3.33Å; S32-H36 PolarHBondContact O-ND1 3.25Å; I33-H36 PolarHBondContact O-N 3.24Å; V34-H36 PolarHBondContact O-N 2.63Å; H36-K38 VanDerWaalsContact C-N 3.27Å; H36-K38 PolarHBondContact O-N 3.45Å; H36-T39 WeakPolarHBondContact O-CB 3.33Å; H36-T39 PolarHBondContact O-N 3.05Å; H36-T39 VanDerWaalsContact O-N 3.1Å; H36-Q40 WeakPolarHBondContact O-CG 3.41Å; H36-Q40 PolarHBondContact O-N 3.03Å
37	L	90.1	Very high	82.7	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-39.3	175.3	-63.9	174.5	0	0	0	111.4	V16 I33 V34 Q40 C41 V57 Y70 I90 V92 F127	V16-L37 HydrophobicContact CG1-CD2 4.11Å; V16-L37 HydrophobicContact CG2-CD2 3.79Å; I33-L37 HydrophobicContact CG2-CD1 3.82Å; I33-L37 HydrophobicContact CG2-CG 4.16Å; I33-L37 VanDerWaalsContact O-CG 3.3Å; I33-L37 WeakPolarHBondContact O-CG 3.26Å; I33-L37 PolarHBondContact O-N 2.89Å; V34-L37 PolarHBondContact O-N 2.97Å; L37-Q40 PolarHBondContact O-N 2.72Å; L37-C41 WeakPolarHBondContact O-CB 3.35Å; L37-C41 PolarHBondContact O-N 3.39Å; L37-C41 PolarHBondContact O-SG 3.01Å; L37-V57 HydrophobicContact CB-CG1 4.09Å; L37-V57 HydrophobicContact CD1-CG1 4Å; L37-Y70 HydrophobicContact CD1-CD1 3.64Å; L37-Y70 HydrophobicContact CD1-CD2 3.62Å; L37-Y70 HydrophobicContact CD1-CE1 3.94Å; L37-Y70 HydrophobicContact CD1-CE2 3.94Å; L37-Y70 HydrophobicContact CD1-CG 3.48Å; L37-Y70 VanDerWaalsContact CD1-CG 3.48Å; L37-I90 HydrophobicContact CB-CD1 4.41Å; L37-I90 HydrophobicContact CD2-CG2 3.71Å; L37-V92 HydrophobicContact CD1-CG2 4.34Å; L37-V92 HydrophobicContact CD2-CG2 3.63Å; L37-F127 HydrophobicContact CD2-CE2 4.44Å; L37-F127 HydrophobicContact CD2-CZ 4.08Å
38	K	92.1	Very high	84.3	Confident	48 Å²	48	37 Å²	37	21%	0.209	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-46.2	172.6	-68.5	-175.8	73.8	164.5	0	111.4	V34 G35 H36 Q40 C41 S42 T52 F55 V57	V34-K38 HydrophobicContact CG1-CD 4.4Å; V34-K38 WeakPolarHBondContact O-CG 3.29Å; V34-K38 PolarHBondContact O-N 3.4Å; G35-K38 PolarHBondContact O-N 2.89Å; H36-K38 VanDerWaalsContact C-N 3.27Å; H36-K38 PolarHBondContact O-N 3.45Å; K38-Q40 VanDerWaalsContact C-N 3.33Å; K38-Q40 PolarHBondContact O-N 2.99Å; K38-C41 PolarHBondContact O-N 2.9Å; K38-S42 PolarHBondContact O-N 3.39Å; K38-S42 PolarHBondContact O-OG 3.17Å; K38-T52 HydrophobicContact CB-CG2 4.26Å; K38-T52 WeakPolarHBondContact CE-O 3.31Å; K38-T52 PolarHBondContact NZ-O 3.37Å; K38-F55 HydrophobicContact CB-CE2 3.9Å; K38-F55 HydrophobicContact CB-CZ 3.87Å; K38-F55 WeakPolarHBondContact CE-O 3.26Å; K38-F55 HydrophobicContact CG-CD2 4.43Å; K38-F55 HydrophobicContact CG-CE2 3.68Å; K38-F55 HydrophobicContact CG-CZ 4.14Å; K38-F55 PolarHBondContact NZ-O 2.82Å; K38-F55 WeakPolarHBondContact O-CZ 3.4Å; K38-V57 HydrophobicContact CG-CB 4.24Å; K38-V57 HydrophobicContact CG-CG2 3.8Å
39	T	91	Very high	85.9	Confident	47 Å²	47	34.8 Å²	34.8	29%	0.288	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-40.2	175.6	-58.3	0	0	0	0	112.7	G35 H36 S42 K43	G35-T39 PolarHBondContact O-N 3.34Å; G35-T39 VanDerWaalsContact O-N 3.08Å; G35-T39 PolarHBondContact O-OG1 3.17Å; H36-T39 WeakPolarHBondContact O-CB 3.33Å; H36-T39 PolarHBondContact O-N 3.05Å; H36-T39 VanDerWaalsContact O-N 3.1Å; T39-S42 PolarHBondContact O-N 3.04Å; T39-S42 PolarHBondContact O-OG 3.43Å; T39-K43 HydrophobicContact CG2-CD 4.25Å; T39-K43 VanDerWaalsContact O-CG 3.32Å; T39-K43 WeakPolarHBondContact O-CG 3.26Å; T39-K43 PolarHBondContact O-N 3.3Å; T39-K43 VanDerWaalsContact O-N 3.16Å
40	Q	91.8	Very high	87.4	Confident	14 Å²	14	38 Å²	38	7%	0.065	22%	0.222	C	C	.	.	H	α-helix	trans	-67.3	-44.5	176.8	-64.9	-56.4	-34.4	0	0	111.5	D14 V16 H36 L37 K38 S42 K43 I44 F127	D14-Q40 PolarHBondContact O-NE2 3.47Å; V16-Q40 HydrophobicContact CG2-CG 4.3Å; H36-Q40 WeakPolarHBondContact O-CG 3.41Å; H36-Q40 PolarHBondContact O-N 3.03Å; L37-Q40 PolarHBondContact O-N 2.72Å; K38-Q40 VanDerWaalsContact C-N 3.33Å; K38-Q40 PolarHBondContact O-N 2.99Å; Q40-S42 VanDerWaalsContact C-N 3.31Å; Q40-S42 PolarHBondContact O-N 3.04Å; Q40-K43 PolarHBondContact O-N 3.14Å; Q40-I44 WeakPolarHBondContact O-CB 3.48Å; Q40-I44 WeakPolarHBondContact O-CG1 3.41Å; Q40-I44 PolarHBondContact O-N 3.42Å; Q40-F127 HydrophobicContact CB-CD1 4.19Å; Q40-F127 HydrophobicContact CB-CG 4.3Å; Q40-F127 HydrophobicContact CG-CB 4.26Å; Q40-F127 HydrophobicContact CG-CD1 4.41Å; Q40-F127 HydrophobicContact CG-CD2 4.17Å; Q40-F127 HydrophobicContact CG-CG 4.03Å
41	C	93.3	Very high	88.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.5	-43.8	175.6	-67.9	0	0	0	0	111.6	L37 K38 K43 I44 L45 W49 F55 I90 I132	L37-C41 WeakPolarHBondContact O-CB 3.35Å; L37-C41 PolarHBondContact O-N 3.39Å; L37-C41 PolarHBondContact O-SG 3.01Å; K38-C41 PolarHBondContact O-N 2.9Å; C41-K43 VanDerWaalsContact C-N 3.34Å; C41-K43 PolarHBondContact O-N 2.92Å; C41-I44 PolarHBondContact O-N 3.47Å; C41-L45 HydrophobicContact CB-CD1 4.14Å; C41-L45 WeakPolarHBondContact O-CB 3.21Å; C41-L45 PolarHBondContact O-N 2.88Å; C41-W49 HydrophobicContact CB-CE3 4.14Å; C41-F55 HydrophobicContact CB-CE2 3.79Å; C41-F55 HydrophobicContact CB-CZ 3.8Å; C41-I90 WeakPolarHBondContact SG-CD1 3.22Å; C41-I132 HydrophobicContact CB-CD1 4.43Å
42	S	93.2	Very high	89.6	Confident	23 Å²	23	34.4 Å²	34.4	16%	0.161	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-34	-179.1	68.3	0	0	0	0	113.4	K38 T39 Q40 W49	K38-S42 PolarHBondContact O-N 3.39Å; K38-S42 PolarHBondContact O-OG 3.17Å; T39-S42 PolarHBondContact O-N 3.04Å; T39-S42 PolarHBondContact O-OG 3.43Å; Q40-S42 VanDerWaalsContact C-N 3.31Å; Q40-S42 PolarHBondContact O-N 3.04Å; S42-W49 WeakPolarHBondContact CA-O 3.31Å; S42-W49 WeakPolarHBondContact CB-O 3.43Å
43	K	91.8	Very high	90.6	Very high	105 Å²	105	39.2 Å²	39.2	46%	0.457	23%	0.234	S	C	.	.	H	α-helix	trans	-72.9	-41	175.4	-71.8	172.8	179.6	174.9	0	112.2	D14 T39 Q40 C41	D14-K43 IonicContact OD1-NZ 3.37Å; D14-K43 PolarHBondContact OD1-NZ 2.86Å; T39-K43 HydrophobicContact CG2-CD 4.25Å; T39-K43 VanDerWaalsContact O-CG 3.32Å; T39-K43 WeakPolarHBondContact O-CG 3.26Å; T39-K43 PolarHBondContact O-N 3.3Å; T39-K43 VanDerWaalsContact O-N 3.16Å; Q40-K43 PolarHBondContact O-N 3.14Å; C41-K43 VanDerWaalsContact C-N 3.34Å; C41-K43 PolarHBondContact O-N 2.92Å
44	I	92.5	Very high	91.3	Very high	45 Å²	45	40.6 Å²	40.6	23%	0.231	24%	0.241	C	C	.	.	H	α-helix	trans	-87.2	-50.1	-169.4	-68.3	170.5	0	0	0	112.3	Q40 C41 S46 F127 I132	Q40-I44 WeakPolarHBondContact O-CB 3.48Å; Q40-I44 WeakPolarHBondContact O-CG1 3.41Å; Q40-I44 PolarHBondContact O-N 3.42Å; C41-I44 PolarHBondContact O-N 3.47Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 2.79Å; I44-F127 HydrophobicContact CD1-CB 4.19Å; I44-F127 HydrophobicContact CD1-CD1 3.95Å; I44-I132 HydrophobicContact CB-CD1 4.02Å; I44-I132 HydrophobicContact CD1-CD1 3.84Å; I44-I132 HydrophobicContact CD1-CG1 4.41Å; I44-I132 HydrophobicContact CG2-CD1 4.08Å
45	L	92.9	Very high	91.7	Very high	26 Å²	26	39.1 Å²	39.1	14%	0.136	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-22.5	-171.6	-63.3	171.3	0	0	0	112.5	C41 W49 P85 V88 H124 I132	C41-L45 HydrophobicContact CB-CD1 4.14Å; C41-L45 WeakPolarHBondContact O-CB 3.21Å; C41-L45 PolarHBondContact O-N 2.88Å; L45-W49 HydrophobicContact CB-CB 3.71Å; L45-W49 HydrophobicContact CB-CD2 4.32Å; L45-W49 HydrophobicContact CB-CG 3.61Å; L45-W49 HydrophobicContact CD1-CB 4.32Å; L45-W49 HydrophobicContact CD1-CD2 3.43Å; L45-W49 VanDerWaalsContact CD1-CD2 3.43Å; L45-W49 HydrophobicContact CD1-CE3 3.74Å; L45-W49 HydrophobicContact CD1-CG 3.67Å; L45-W49 HydrophobicContact CD1-CH2 4.42Å; L45-W49 HydrophobicContact CD1-CZ2 4.19Å; L45-W49 HydrophobicContact CD1-CZ3 4.21Å; L45-W49 HydrophobicContact CG-CG 4.29Å; L45-P85 HydrophobicContact CD2-CG 4.1Å; L45-V88 HydrophobicContact CD1-CG1 3.85Å; L45-V88 HydrophobicContact CD1-CG2 4.03Å; L45-V88 HydrophobicContact CD2-CG1 4.14Å; L45-H124 HydrophobicContact CD2-CB 3.63Å; L45-I132 HydrophobicContact CD1-CG2 4.4Å; L45-I132 HydrophobicContact CD2-CG2 4.16Å; L45-I132 HydrophobicContact CG-CD1 4.45Å
46	S	87.6	Confident	92.1	Very high	66 Å²	66	40 Å²	40	46%	0.462	23%	0.232	S	C	.	.			trans	56.4	-164.3	-177.2	-59.5	0	0	0	0	112.1	I44 W49	I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 2.79Å; S46-W49 VanDerWaalsContact O-CB 3.31Å; S46-W49 WeakPolarHBondContact O-CB 3.11Å; S46-W49 PolarHBondContact O-N 2.82Å; S46-W49 VanDerWaalsContact O-N 3.17Å
47	G	91.4	Very high	92.5	Very high	26 Å²	26	39.7 Å²	39.7	27%	0.268	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	61.4	-136.5	174.9	0	0	0	0	0	115.2	W49 S50	G47-W49 PolarHBondContact O-N 3.5Å; G47-S50 VanDerWaalsContact O-CB 3.27Å; G47-S50 WeakPolarHBondContact O-CB 3.48Å; G47-S50 PolarHBondContact O-N 3.1Å; G47-S50 PolarHBondContact O-OG 3.35Å
48	C	93.2	Very high	92.5	Very high	22 Å²	22	44 Å²	44	15%	0.149	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-61.7	-29.3	176.8	-64.4	0	0	0	0	112.2	S50 D51 N54 L74 I78 I79 E84	C48-S50 PolarHBondContact O-N 3.23Å; C48-D51 PolarHBondContact O-N 2.92Å; C48-N54 WeakPolarHBondContact O-CB 3.34Å; C48-N54 PolarHBondContact O-ND2 3.21Å; C48-L74 HydrophobicContact CB-CD1 4.25Å; C48-L74 HydrophobicContact CB-CD2 4.12Å; C48-I78 HydrophobicContact CB-CG2 3.65Å; C48-I79 PolarHBondContact SG-O 2.68Å; C48-E84 VanDerWaalsContact CA-OE1 3.26Å; C48-E84 WeakPolarHBondContact CA-OE1 3.37Å; C48-E84 WeakPolarHBondContact CB-OE1 3.17Å; C48-E84 WeakPolarHBondContact CB-OE2 3.1Å; C48-E84 PolarHBondContact N-OE1 3.34Å; C48-E84 PolarHBondContact N-OE2 3.3Å; C48-E84 PolarHBondContact SG-OE2 3.06Å
49	W	94.4	Very high	92.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-64.2	-18.3	172.5	-62.7	95.6	0	0	0	113.8	C41 S42 L45 S46 G47 D51 F55 G72 L74 E84 P85 V88	C41-W49 HydrophobicContact CB-CE3 4.14Å; S42-W49 WeakPolarHBondContact CA-O 3.31Å; S42-W49 WeakPolarHBondContact CB-O 3.43Å; L45-W49 HydrophobicContact CB-CB 3.71Å; L45-W49 HydrophobicContact CB-CD2 4.32Å; L45-W49 HydrophobicContact CB-CG 3.61Å; L45-W49 HydrophobicContact CD1-CB 4.32Å; L45-W49 HydrophobicContact CD1-CD2 3.43Å; L45-W49 VanDerWaalsContact CD1-CD2 3.43Å; L45-W49 HydrophobicContact CD1-CE3 3.74Å; L45-W49 HydrophobicContact CD1-CG 3.67Å; L45-W49 HydrophobicContact CD1-CH2 4.42Å; L45-W49 HydrophobicContact CD1-CZ2 4.19Å; L45-W49 HydrophobicContact CD1-CZ3 4.21Å; L45-W49 HydrophobicContact CG-CG 4.29Å; S46-W49 VanDerWaalsContact O-CB 3.31Å; S46-W49 WeakPolarHBondContact O-CB 3.11Å; S46-W49 PolarHBondContact O-N 2.82Å; S46-W49 VanDerWaalsContact O-N 3.17Å; G47-W49 PolarHBondContact O-N 3.5Å; W49-D51 PolarHBondContact O-N 2.81Å; W49-F55 HydrophobicContact CD2-CG 4.47Å; W49-F55 HydrophobicContact CE3-CB 3.87Å; W49-F55 AromaticContact CE3-CD1 3.73Å; W49-F55 HydrophobicContact CE3-CD1 3.73Å; W49-F55 AromaticContact CE3-CD2 3.5Å; W49-F55 HydrophobicContact CE3-CD2 3.5Å; W49-F55 HydrophobicContact CE3-CE1 4.06Å; W49-F55 AromaticContact CE3-CE2 3.82Å; W49-F55 HydrophobicContact CE3-CE2 3.82Å; W49-F55 AromaticContact CE3-CG 3.43Å; W49-F55 HydrophobicContact CE3-CG 3.43Å; W49-F55 VanDerWaalsContact CE3-CG 3.43Å; W49-F55 HydrophobicContact CE3-CZ 4.1Å; W49-F55 HydrophobicContact CH2-CB 4.46Å; W49-F55 HydrophobicContact CZ3-CB 3.74Å; W49-F55 HydrophobicContact CZ3-CD1 4.35Å; W49-F55 AromaticContact CZ3-CD2 3.37Å; W49-F55 HydrophobicContact CZ3-CD2 3.37Å; W49-F55 AromaticContact CZ3-CE2 3.95Å; W49-F55 HydrophobicContact CZ3-CE2 3.95Å; W49-F55 AromaticContact CZ3-CG 3.59Å; W49-F55 HydrophobicContact CZ3-CG 3.59Å; W49-F55 WeakPolarHBondContact O-CE1 3.26Å; W49-G72 VanDerWaalsContact CH2-C 3.49Å; W49-L74 HydrophobicContact CD2-CD2 3.72Å; W49-L74 HydrophobicContact CD2-CG 4.3Å; W49-L74 HydrophobicContact CE3-CD2 4.25Å; W49-L74 HydrophobicContact CG-CD2 4Å; W49-L74 HydrophobicContact CZ2-CD2 4.15Å; W49-L74 HydrophobicContact CZ2-CG 3.83Å; W49-E84 PolarHBondContact N-OE1 3.03Å; W49-E84 PolarHBondContact NE1-OE1 3.08Å; W49-P85 WeakPolarHBondContact CZ2-O 3.47Å; W49-P85 PolarHBondContact NE1-O 3.1Å; W49-V88 HydrophobicContact CH2-CG2 3.77Å; W49-V88 HydrophobicContact CZ2-CG1 4.23Å; W49-V88 HydrophobicContact CZ2-CG2 4.27Å; W49-V88 HydrophobicContact CZ3-CG2 4.19Å
50	S	93.1	Very high	91.7	Very high	78 Å²	78	44.2 Å²	44.2	55%	0.545	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-61.7	-25.5	180	65.6	0	0	0	0	113.5	G47 C48	G47-S50 VanDerWaalsContact O-CB 3.27Å; G47-S50 WeakPolarHBondContact O-CB 3.48Å; G47-S50 PolarHBondContact O-N 3.1Å; G47-S50 PolarHBondContact O-OG 3.35Å; C48-S50 PolarHBondContact O-N 3.23Å
51	D	92.5	Very high	90.7	Very high	65 Å²	65	54 Å²	54	35%	0.348	30%	0.297	S	S	.	.	S	Bend	trans	-96.8	113.4	171.5	-174.5	-8.2	0	0	0	110.4	C48 W49 N53 N54 F55	C48-D51 PolarHBondContact O-N 2.92Å; W49-D51 PolarHBondContact O-N 2.81Å; D51-N53 PolarHBondContact O-N 2.89Å; D51-N53 WeakPolarHBondContact OD1-CB 3.27Å; D51-N53 PolarHBondContact OD1-N 3.32Å; D51-N53 PolarHBondContact OD1-ND2 3.13Å; D51-N54 WeakPolarHBondContact O-CB 3.37Å; D51-N54 PolarHBondContact O-N 3.32Å; D51-F55 WeakPolarHBondContact O-CD1 3.43Å
52	T	91.8	Very high	89.4	Confident	53 Å²	53	57.1 Å²	57.1	33%	0.325	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-59.3	-14.2	176.6	61.7	0	0	0	0	114.4	K38 F55	K38-T52 HydrophobicContact CB-CG2 4.26Å; K38-T52 WeakPolarHBondContact CE-O 3.31Å; K38-T52 PolarHBondContact NZ-O 3.37Å; T52-F55 HydrophobicContact CG2-CE1 4.46Å; T52-F55 HydrophobicContact CG2-CZ 4.46Å
53	N	93.1	Very high	87.8	Confident	118 Å²	118	59.3 Å²	59.3	63%	0.631	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-79.3	-19.5	173.5	-59.9	-60.9	0	0	0	113.2	D51 F55 N75	D51-N53 PolarHBondContact O-N 2.89Å; D51-N53 WeakPolarHBondContact OD1-CB 3.27Å; D51-N53 PolarHBondContact OD1-N 3.32Å; D51-N53 PolarHBondContact OD1-ND2 3.13Å; N53-F55 VanDerWaalsContact C-N 3.28Å; N53-F55 PolarHBondContact O-N 2.68Å; N53-N75 PolarHBondContact O-ND2 3.37Å
54	N	94.4	Very high	86.5	Confident	36 Å²	36	56 Å²	56	19%	0.193	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-79.3	-6.8	-175.2	-72.9	-11.8	0	0	0	114.1	C48 D51 L74 N75 I78	C48-N54 WeakPolarHBondContact O-CB 3.34Å; C48-N54 PolarHBondContact O-ND2 3.21Å; D51-N54 WeakPolarHBondContact O-CB 3.37Å; D51-N54 PolarHBondContact O-N 3.32Å; N54-L74 CarbonylContact O-C 3.56Å; N54-L74 WeakPolarHBondContact O-CA 3.19Å; N54-N75 VanDerWaalsContact O-CG 3.28Å; N54-N75 PolarHBondContact O-N 2.93Å; N54-N75 PolarHBondContact O-ND2 3.24Å; N54-I78 HydrophobicContact CB-CD1 4.27Å; N54-I78 HydrophobicContact CB-CG1 4Å; N54-I78 WeakPolarHBondContact OD1-CD1 3.3Å
55	F	95.1	Very high	85.2	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	161.8	-173.8	69.6	-85.7	0	0	0	113.6	K38 C41 W49 D51 T52 N53 V57 Y73 L74	K38-F55 HydrophobicContact CB-CE2 3.9Å; K38-F55 HydrophobicContact CB-CZ 3.87Å; K38-F55 WeakPolarHBondContact CE-O 3.26Å; K38-F55 HydrophobicContact CG-CD2 4.43Å; K38-F55 HydrophobicContact CG-CE2 3.68Å; K38-F55 HydrophobicContact CG-CZ 4.14Å; K38-F55 PolarHBondContact NZ-O 2.82Å; K38-F55 WeakPolarHBondContact O-CZ 3.4Å; C41-F55 HydrophobicContact CB-CE2 3.79Å; C41-F55 HydrophobicContact CB-CZ 3.8Å; W49-F55 HydrophobicContact CD2-CG 4.47Å; W49-F55 HydrophobicContact CE3-CB 3.87Å; W49-F55 AromaticContact CE3-CD1 3.73Å; W49-F55 HydrophobicContact CE3-CD1 3.73Å; W49-F55 AromaticContact CE3-CD2 3.5Å; W49-F55 HydrophobicContact CE3-CD2 3.5Å; W49-F55 HydrophobicContact CE3-CE1 4.06Å; W49-F55 AromaticContact CE3-CE2 3.82Å; W49-F55 HydrophobicContact CE3-CE2 3.82Å; W49-F55 AromaticContact CE3-CG 3.43Å; W49-F55 HydrophobicContact CE3-CG 3.43Å; W49-F55 VanDerWaalsContact CE3-CG 3.43Å; W49-F55 HydrophobicContact CE3-CZ 4.1Å; W49-F55 HydrophobicContact CH2-CB 4.46Å; W49-F55 HydrophobicContact CZ3-CB 3.74Å; W49-F55 HydrophobicContact CZ3-CD1 4.35Å; W49-F55 AromaticContact CZ3-CD2 3.37Å; W49-F55 HydrophobicContact CZ3-CD2 3.37Å; W49-F55 AromaticContact CZ3-CE2 3.95Å; W49-F55 HydrophobicContact CZ3-CE2 3.95Å; W49-F55 AromaticContact CZ3-CG 3.59Å; W49-F55 HydrophobicContact CZ3-CG 3.59Å; W49-F55 WeakPolarHBondContact O-CE1 3.26Å; D51-F55 WeakPolarHBondContact O-CD1 3.43Å; T52-F55 HydrophobicContact CG2-CE1 4.46Å; T52-F55 HydrophobicContact CG2-CZ 4.46Å; N53-F55 VanDerWaalsContact C-N 3.28Å; N53-F55 PolarHBondContact O-N 2.68Å; F55-V57 HydrophobicContact CD2-CG2 4.02Å; F55-V57 HydrophobicContact CE2-CG2 3.85Å; F55-Y73 VanDerWaalsContact CA-O 3.27Å; F55-Y73 WeakPolarHBondContact CA-O 3.36Å; F55-Y73 WeakPolarHBondContact CB-O 3.44Å; F55-L74 HydrophobicContact CB-CD2 4.02Å
56	C	93.9	Very high	83.9	Confident	48 Å²	48	55.7 Å²	55.7	32%	0.324	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	153.5	175.4	-65.9	0	0	0	0	110.3	G72 Y73	C56-G72 CarbonylContact O-C 3.59Å; C56-G72 VanDerWaalsContact O-CA 3.29Å; C56-G72 WeakPolarHBondContact O-CA 3.23Å; C56-Y73 HydrophobicContact CB-CD2 4.43Å; C56-Y73 HydrophobicContact CB-CE1 4.25Å; C56-Y73 HydrophobicContact CB-CE2 3.85Å; C56-Y73 PolarHBondContact N-O 3.21Å; C56-Y73 PolarHBondContact O-N 2.91Å
57	V	93.1	Very high	83.4	Confident	13 Å²	13	52.6 Å²	52.6	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127	169.9	174.6	0	0	0	0	106.9	V34 L37 K38 F55 Y70 I71 I90	V34-V57 HydrophobicContact CG1-CB 4.2Å; L37-V57 HydrophobicContact CB-CG1 4.09Å; L37-V57 HydrophobicContact CD1-CG1 4Å; K38-V57 HydrophobicContact CG-CB 4.24Å; K38-V57 HydrophobicContact CG-CG2 3.8Å; F55-V57 HydrophobicContact CD2-CG2 4.02Å; F55-V57 HydrophobicContact CE2-CG2 3.85Å; V57-Y70 HydrophobicContact CG1-CD1 4.22Å; V57-Y70 HydrophobicContact CG1-CG 4.45Å; V57-I71 WeakPolarHBondContact CA-O 3.36Å; V57-I90 HydrophobicContact CG1-CD1 3.86Å; V57-I90 HydrophobicContact CG2-CD1 3.93Å
58	E	90	Very high	82.9	Confident	92 Å²	92	52.2 Å²	52.2	43%	0.43	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.1	179.8	65.3	-172.2	-151.2	0	0	110.9	S60 Y70 I71 Y73	E58-S60 PolarHBondContact O-N 2.78Å; E58-Y70 CarbonylContact O-C 3.56Å; E58-Y70 WeakPolarHBondContact O-CA 3.43Å; E58-Y70 WeakPolarHBondContact O-CB 3.21Å; E58-I71 HydrophobicContact CG-CB 4.44Å; E58-I71 PolarHBondContact N-O 2.9Å; E58-I71 PolarHBondContact O-N 2.91Å; E58-Y73 HydrophobicContact CG-CE1 4Å; E58-Y73 WeakPolarHBondContact OE2-CE1 3.32Å; E58-Y73 PolarHBondContact OE2-OH 3.47Å
59	L	84.2	Confident	82.7	Confident	87 Å²	87	52.1 Å²	52.1	46%	0.455	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.4	174.2	-173.9	70.8	0	0	0	109	L69 Y70	L59-L69 WeakPolarHBondContact CD1-O 3.3Å; L59-Y70 HydrophobicContact CB-CD1 4.24Å; L59-Y70 HydrophobicContact CB-CE1 4.13Å; L59-Y70 HydrophobicContact CD1-CD1 4.06Å; L59-Y70 HydrophobicContact CD1-CD2 4.39Å; L59-Y70 HydrophobicContact CD1-CE1 3.65Å; L59-Y70 HydrophobicContact CD1-CE2 4Å; L59-Y70 HydrophobicContact CD1-CG 4.4Å
60	S	82.7	Confident	82.5	Confident	12 Å²	12	52.5 Å²	52.5	8%	0.084	30%	0.298	C	S	.	.			trans	-65.4	144	175.1	-174.9	0	0	0	0	110.4	E58 S62 L69	E58-S60 PolarHBondContact O-N 2.78Å; S60-S62 WeakPolarHBondContact CB-O 3.42Å; S60-S62 PolarHBondContact O-N 3.39Å; S60-S62 PolarHBondContact OG-N 3.4Å; S60-S62 PolarHBondContact OG-O 3.5Å; S60-S62 PolarHBondContact OG-OG 3.3Å; S60-S62 VanDerWaalsContact OG-OG 3.06Å; S60-L69 WeakPolarHBondContact CB-O 3.21Å; S60-L69 PolarHBondContact N-O 2.93Å
61	K	71.1	Confident	82.6	Confident	219 Å²	219	49.8 Å²	49.8	95%	0.952	28%	0.276	S	S	*	.	S	Bend	trans	-70.1	-25	173.2	-67.2	-178.6	-179.5	176.6	0	112.6
62	S	64.5	Low	82.7	Confident	66 Å²	66	46.7 Å²	46.7	46%	0.462	26%	0.26	S	S	.	.			trans	-93.6	119	171.7	55.5	0	0	0	0	108.8	S60	S60-S62 WeakPolarHBondContact CB-O 3.42Å; S60-S62 PolarHBondContact O-N 3.39Å; S60-S62 PolarHBondContact OG-N 3.4Å; S60-S62 PolarHBondContact OG-O 3.5Å; S60-S62 PolarHBondContact OG-OG 3.3Å; S60-S62 VanDerWaalsContact OG-OG 3.06Å
63	C	60	Low	82.9	Confident	69 Å²	69	47.4 Å²	47.4	47%	0.466	26%	0.257	S	S	.	.			trans	-121.1	134.7	169.6	-70.6	0	0	0	0	108.3
64	G	64.3	Low	83	Confident	36 Å²	36	41.9 Å²	41.9	37%	0.371	23%	0.228	S	C	.	.			trans	-76.8	172.5	167.7	0	0	0	0	0	110.8	S66	G64-S66 VanDerWaalsContact C-N 3.3Å
65	L	65.9	Low	83	Confident	43 Å²	43	42.2 Å²	42.2	23%	0.225	23%	0.229	C	C	.	.	S	Bend	trans	-80	-9.8	177.9	-60.8	176.5	0	0	0	113.5	Y313 W427 I437 F439	L65-Y313 HydrophobicContact CD1-CD1 4.41Å; L65-W427 HydrophobicContact CB-CH2 3.94Å; L65-W427 HydrophobicContact CB-CZ2 4.28Å; L65-W427 HydrophobicContact CD1-CH2 4.07Å; L65-I437 VanDerWaalsContact C-CD1 3.48Å; L65-I437 HydrophobicContact CD2-CG2 4.02Å; L65-I437 WeakPolarHBondContact O-CD1 3.44Å; L65-F439 HydrophobicContact CD1-CD2 4.27Å; L65-F439 HydrophobicContact CD1-CE2 4.04Å; L65-F439 HydrophobicContact CD1-CZ 4.22Å; L65-F439 HydrophobicContact CD2-CB 4.38Å; L65-F439 HydrophobicContact CD2-CD2 3.91Å; L65-F439 HydrophobicContact CD2-CE2 4.45Å; L65-F439 HydrophobicContact CD2-CG 4.22Å
66	S	66.7	Low	82.9	Confident	20 Å²	20	49.1 Å²	49.1	14%	0.14	27%	0.266	C	S	.	.	S	Bend	trans	-106.3	-27.5	-177.7	-53.5	0	0	0	0	114.3	G64 G94 E291	G64-S66 VanDerWaalsContact C-N 3.3Å; S66-G94 PolarHBondContact O-N 3.12Å; S66-E291 WeakPolarHBondContact CB-OE1 3.23Å; S66-E291 PolarHBondContact OG-OE1 2.83Å
67	N	76.9	Confident	82.8	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.011	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.8	-163.7	-68.5	-56.8	0	0	0	112.7	R91 Y93 L97 E291	N67-R91 HydrophobicContact CB-CG 4.09Å; N67-R91 PolarHBondContact ND2-NH1 3.4Å; N67-R91 VanDerWaalsContact ND2-NH1 3.14Å; N67-Y93 WeakPolarHBondContact OD1-CA 3.49Å; N67-L97 WeakPolarHBondContact OD1-CD1 3.12Å; N67-E291 PolarHBondContact ND2-OE2 3.16Å
68	Y	80.8	Confident	82.8	Confident	18 Å²	18	53.6 Å²	53.6	7%	0.071	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.7	174.8	-60.5	-94.1	0	0	0	110.1	P19 D20 V92 S436	P19-Y68 HydrophobicContact CB-CD1 3.96Å; P19-Y68 HydrophobicContact CB-CD2 3.81Å; P19-Y68 HydrophobicContact CB-CE1 3.76Å; P19-Y68 HydrophobicContact CB-CE2 3.62Å; P19-Y68 HydrophobicContact CB-CG 3.98Å; P19-Y68 HydrophobicContact CG-CD1 4.15Å; P19-Y68 HydrophobicContact CG-CD2 3.52Å; P19-Y68 HydrophobicContact CG-CE1 4.4Å; P19-Y68 HydrophobicContact CG-CE2 3.84Å; P19-Y68 HydrophobicContact CG-CG 3.7Å; D20-Y68 PolarHBondContact OD1-OH 3.43Å; Y68-V92 PolarHBondContact N-O 3.46Å; Y68-V92 PolarHBondContact O-N 3.28Å; Y68-S436 PolarHBondContact OH-OG 3.3Å
69	L	87.8	Confident	82.8	Confident	20 Å²	20	56.2 Å²	56.2	11%	0.105	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.5	-176.5	-60	-177.7	0	0	0	110.7	L59 S60 L89 R91	L59-L69 WeakPolarHBondContact CD1-O 3.3Å; S60-L69 WeakPolarHBondContact CB-O 3.21Å; S60-L69 PolarHBondContact N-O 2.93Å; L69-L89 HydrophobicContact CB-CD1 4.43Å; L69-R91 HydrophobicContact CD2-CB 4.12Å; L69-R91 HydrophobicContact CD2-CG 3.97Å
70	Y	91.3	Very high	83	Confident	8 Å²	8	53.9 Å²	53.9	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	150.5	174.1	-63.7	-100.8	0	0	0	109.8	I33 V34 L37 V57 E58 L59 I90 V92	I33-Y70 HydrophobicContact CG2-CE1 4.32Å; I33-Y70 HydrophobicContact CG2-CE2 4.33Å; V34-Y70 HydrophobicContact CG2-CE1 4.3Å; L37-Y70 HydrophobicContact CD1-CD1 3.64Å; L37-Y70 HydrophobicContact CD1-CD2 3.62Å; L37-Y70 HydrophobicContact CD1-CE1 3.94Å; L37-Y70 HydrophobicContact CD1-CE2 3.94Å; L37-Y70 HydrophobicContact CD1-CG 3.48Å; L37-Y70 VanDerWaalsContact CD1-CG 3.48Å; V57-Y70 HydrophobicContact CG1-CD1 4.22Å; V57-Y70 HydrophobicContact CG1-CG 4.45Å; E58-Y70 CarbonylContact O-C 3.56Å; E58-Y70 WeakPolarHBondContact O-CA 3.43Å; E58-Y70 WeakPolarHBondContact O-CB 3.21Å; L59-Y70 HydrophobicContact CB-CD1 4.24Å; L59-Y70 HydrophobicContact CB-CE1 4.13Å; L59-Y70 HydrophobicContact CD1-CD1 4.06Å; L59-Y70 HydrophobicContact CD1-CD2 4.39Å; L59-Y70 HydrophobicContact CD1-CE1 3.65Å; L59-Y70 HydrophobicContact CD1-CE2 4Å; L59-Y70 HydrophobicContact CD1-CG 4.4Å; Y70-I90 PolarHBondContact N-O 3.23Å; Y70-I90 PolarHBondContact O-N 2.92Å; Y70-V92 HydrophobicContact CD2-CG2 3.89Å; Y70-V92 HydrophobicContact CE2-CB 4.38Å; Y70-V92 HydrophobicContact CE2-CG2 3.87Å
71	I	93.7	Very high	83	Confident	20 Å²	20	58.5 Å²	58.5	10%	0.103	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.4	176.2	-56.5	174.2	0	0	0	107.8	V57 E58 Y73 L89 Y135	V57-I71 WeakPolarHBondContact CA-O 3.36Å; E58-I71 HydrophobicContact CG-CB 4.44Å; E58-I71 PolarHBondContact N-O 2.9Å; E58-I71 PolarHBondContact O-N 2.91Å; I71-Y73 HydrophobicContact CG2-CD1 4.33Å; I71-L89 HydrophobicContact CG1-CD1 4.38Å; I71-Y135 HydrophobicContact CD1-CE2 3.85Å; I71-Y135 HydrophobicContact CG1-CE2 4.14Å; I71-Y135 HydrophobicContact CG2-CD2 4.32Å; I71-Y135 HydrophobicContact CG2-CE2 4.29Å
72	G	95	Very high	83.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138.3	169	0	0	0	0	0	110.4	W49 C56 K87 V88	W49-G72 VanDerWaalsContact CH2-C 3.49Å; C56-G72 CarbonylContact O-C 3.59Å; C56-G72 VanDerWaalsContact O-CA 3.29Å; C56-G72 WeakPolarHBondContact O-CA 3.23Å; G72-K87 CarbonylContact O-C 3.59Å; G72-K87 VanDerWaalsContact O-CA 3.26Å; G72-K87 WeakPolarHBondContact O-CA 3.44Å; G72-V88 PolarHBondContact N-O 3.04Å; G72-V88 PolarHBondContact O-N 2.89Å
73	Y	96	Very high	84.2	Confident	69 Å²	69	60.4 Å²	60.4	27%	0.271	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	139	172.2	55.5	-89.3	0	0	0	112.9	F55 C56 E58 I71 R86	F55-Y73 VanDerWaalsContact CA-O 3.27Å; F55-Y73 WeakPolarHBondContact CA-O 3.36Å; F55-Y73 WeakPolarHBondContact CB-O 3.44Å; C56-Y73 HydrophobicContact CB-CD2 4.43Å; C56-Y73 HydrophobicContact CB-CE1 4.25Å; C56-Y73 HydrophobicContact CB-CE2 3.85Å; C56-Y73 PolarHBondContact N-O 3.21Å; C56-Y73 PolarHBondContact O-N 2.91Å; E58-Y73 HydrophobicContact CG-CE1 4Å; E58-Y73 WeakPolarHBondContact OE2-CE1 3.32Å; E58-Y73 PolarHBondContact OE2-OH 3.47Å; I71-Y73 HydrophobicContact CG2-CD1 4.33Å; Y73-R86 WeakPolarHBondContact CA-O 3.43Å
74	L	95.9	Very high	85.6	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	143.4	171.3	-65.6	176.4	0	0	0	110.1	C48 W49 N54 F55 I78 P80 R86	C48-L74 HydrophobicContact CB-CD1 4.25Å; C48-L74 HydrophobicContact CB-CD2 4.12Å; W49-L74 HydrophobicContact CD2-CD2 3.72Å; W49-L74 HydrophobicContact CD2-CG 4.3Å; W49-L74 HydrophobicContact CE3-CD2 4.25Å; W49-L74 HydrophobicContact CG-CD2 4Å; W49-L74 HydrophobicContact CZ2-CD2 4.15Å; W49-L74 HydrophobicContact CZ2-CG 3.83Å; N54-L74 CarbonylContact O-C 3.56Å; N54-L74 WeakPolarHBondContact O-CA 3.19Å; F55-L74 HydrophobicContact CB-CD2 4.02Å; L74-I78 HydrophobicContact CB-CB 4.49Å; L74-I78 HydrophobicContact CD1-CG2 4.35Å; L74-I78 HydrophobicContact CD2-CG2 4.48Å; L74-P80 HydrophobicContact CD1-CB 3.91Å; L74-P80 HydrophobicContact CD1-CG 3.82Å; L74-R86 PolarHBondContact N-O 3.49Å
75	N	94.9	Very high	86.9	Confident	42 Å²	42	57.8 Å²	57.8	23%	0.225	30%	0.302	C	S	.	.			trans	-62	154.5	176.4	-60.6	-21.8	0	0	0	110.6	N53 N54 D77 I78	N53-N75 PolarHBondContact O-ND2 3.37Å; N54-N75 VanDerWaalsContact O-CG 3.28Å; N54-N75 PolarHBondContact O-N 2.93Å; N54-N75 PolarHBondContact O-ND2 3.24Å; N75-D77 WeakPolarHBondContact CB-OD1 3.28Å; N75-D77 PolarHBondContact O-N 2.78Å; N75-I78 HydrophobicContact CB-CG1 4.16Å; N75-I78 PolarHBondContact O-N 2.8Å
76	N	91.8	Very high	88.2	Confident	146 Å²	146	60.3 Å²	60.3	78%	0.781	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-30.1	-169.8	-79.1	-32.9	0	0	0	114.5	I78 R86	N76-I78 VanDerWaalsContact C-N 3.33Å; N76-R86 PolarHBondContact O-NH2 2.65Å; N76-R86 PolarHBondContact OD1-NH2 2.97Å
77	D	93	Very high	89.6	Confident	127 Å²	127	63.1 Å²	63.1	68%	0.679	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-13.8	178.4	56.7	-52.9	0	0	0	114	N75	N75-D77 WeakPolarHBondContact CB-OD1 3.28Å; N75-D77 PolarHBondContact O-N 2.78Å
78	I	92.7	Very high	90.5	Very high	27 Å²	27	63 Å²	63	14%	0.138	32%	0.318	C	S	.	.			trans	-88.6	122.7	178.4	-55.7	-61	0	0	0	109.6	C48 N54 L74 N75 N76 R86	C48-I78 HydrophobicContact CB-CG2 3.65Å; N54-I78 HydrophobicContact CB-CD1 4.27Å; N54-I78 HydrophobicContact CB-CG1 4Å; N54-I78 WeakPolarHBondContact OD1-CD1 3.3Å; L74-I78 HydrophobicContact CB-CB 4.49Å; L74-I78 HydrophobicContact CD1-CG2 4.35Å; L74-I78 HydrophobicContact CD2-CG2 4.48Å; N75-I78 HydrophobicContact CB-CG1 4.16Å; N75-I78 PolarHBondContact O-N 2.8Å; N76-I78 VanDerWaalsContact C-N 3.33Å; I78-R86 PolarHBondContact O-NH1 2.82Å
79	I	89.5	Confident	91.1	Very high	148 Å²	148	63.4 Å²	63.4	76%	0.759	32%	0.321	S	S	*	.			trans	-90.6	114.4	172.6	-58.5	175.1	0	0	0	107	C48	C48-I79 PolarHBondContact SG-O 2.68Å
80	P	87.5	Confident	91.4	Very high	37 Å²	37	62.5 Å²	62.5	24%	0.24	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-61.4	149	178.3	-12.5	24.5	0	0	0	110.8	L74 E84 R86	L74-P80 HydrophobicContact CD1-CB 3.91Å; L74-P80 HydrophobicContact CD1-CG 3.82Å; P80-E84 HydrophobicContact CB-CB 4.03Å; P80-E84 HydrophobicContact CB-CG 4.34Å; P80-R86 HydrophobicContact CG-CB 4.25Å; P80-R86 HydrophobicContact CG-CG 4.47Å
81	M	84.6	Confident	91.3	Very high	110 Å²	110	62.3 Å²	62.3	54%	0.542	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-72.8	163.8	169.7	-69.5	-170.1	-70.1	0	0	111.5	N83 E84	M81-N83 PolarHBondContact O-N 2.9Å; M81-E84 PolarHBondContact N-OE2 3.27Å; M81-E84 VanDerWaalsContact O-CB 3.3Å; M81-E84 WeakPolarHBondContact O-CB 3.32Å; M81-E84 PolarHBondContact O-N 2.99Å
82	D	76	Confident	90.9	Very high	161 Å²	161	61.3 Å²	61.3	86%	0.861	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	124.5	178.3	-68.9	-27.3	0	0	0	110.9
83	N	83.5	Confident	90.3	Very high	164 Å²	164	61.4 Å²	61.4	88%	0.877	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	1.7	-175.7	-49.9	-56.2	0	0	0	117.5	M81	M81-N83 PolarHBondContact O-N 2.9Å
84	E	89	Confident	89.2	Confident	24 Å²	24	58.1 Å²	58.1	11%	0.112	30%	0.298	C	S	.	.			trans	-79.8	131.1	175.4	-173.7	176.2	-168.4	0	0	111.2	C48 W49 P80 M81	C48-E84 VanDerWaalsContact CA-OE1 3.26Å; C48-E84 WeakPolarHBondContact CA-OE1 3.37Å; C48-E84 WeakPolarHBondContact CB-OE1 3.17Å; C48-E84 WeakPolarHBondContact CB-OE2 3.1Å; C48-E84 PolarHBondContact N-OE1 3.34Å; C48-E84 PolarHBondContact N-OE2 3.3Å; C48-E84 PolarHBondContact SG-OE2 3.06Å; W49-E84 PolarHBondContact N-OE1 3.03Å; W49-E84 PolarHBondContact NE1-OE1 3.08Å; P80-E84 HydrophobicContact CB-CB 4.03Å; P80-E84 HydrophobicContact CB-CG 4.34Å; M81-E84 PolarHBondContact N-OE2 3.27Å; M81-E84 VanDerWaalsContact O-CB 3.3Å; M81-E84 WeakPolarHBondContact O-CB 3.32Å; M81-E84 PolarHBondContact O-N 2.99Å
85	P	92.8	Very high	87.8	Confident	25 Å²	25	59.1 Å²	59.1	16%	0.162	30%	0.303	C	S	.	.			trans	-69.8	136.8	176.7	29.9	-34.8	0	0	0	110.5	L45 W49 V88	L45-P85 HydrophobicContact CD2-CG 4.1Å; W49-P85 WeakPolarHBondContact CZ2-O 3.47Å; W49-P85 PolarHBondContact NE1-O 3.1Å; P85-V88 HydrophobicContact CB-CG1 3.86Å; P85-V88 HydrophobicContact CG-CG1 3.6Å
86	R	93.6	Very high	86.1	Confident	96 Å²	96	58 Å²	58	36%	0.362	30%	0.297	S	S	.	.	S	Bend	trans	-75.7	-31.3	172.2	-173	170.3	-177.4	78.7	-6	112.5	Y73 L74 N76 I78 P80	Y73-R86 WeakPolarHBondContact CA-O 3.43Å; L74-R86 PolarHBondContact N-O 3.49Å; N76-R86 PolarHBondContact O-NH2 2.65Å; N76-R86 PolarHBondContact OD1-NH2 2.97Å; I78-R86 PolarHBondContact O-NH1 2.82Å; P80-R86 HydrophobicContact CG-CB 4.25Å; P80-R86 HydrophobicContact CG-CG 4.47Å
87	K	94.9	Very high	84.7	Confident	79 Å²	79	51.9 Å²	51.9	34%	0.343	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	146.7	177.8	-60.4	-169.2	-179.1	167.2	0	110.1	G72 Y135 E137	G72-K87 CarbonylContact O-C 3.59Å; G72-K87 VanDerWaalsContact O-CA 3.26Å; G72-K87 WeakPolarHBondContact O-CA 3.44Å; K87-Y135 HydrophobicContact CB-CD1 4.01Å; K87-Y135 HydrophobicContact CB-CG 4.16Å; K87-Y135 HydrophobicContact CD-CD1 3.87Å; K87-Y135 HydrophobicContact CD-CE1 4.03Å; K87-E137 WeakPolarHBondContact CD-OE1 3.49Å; K87-E137 WeakPolarHBondContact CE-OE1 3.37Å; K87-E137 IonicContact NZ-OE1 2.72Å; K87-E137 PolarHBondContact NZ-OE1 3.37Å; K87-E137 IonicContact NZ-OE2 3.92Å
88	V	95.8	Very high	83.3	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.6	176.2	-63.5	0	0	0	0	110.3	L45 W49 G72 P85 I90 I132	L45-V88 HydrophobicContact CD1-CG1 3.85Å; L45-V88 HydrophobicContact CD1-CG2 4.03Å; L45-V88 HydrophobicContact CD2-CG1 4.14Å; W49-V88 HydrophobicContact CH2-CG2 3.77Å; W49-V88 HydrophobicContact CZ2-CG1 4.23Å; W49-V88 HydrophobicContact CZ2-CG2 4.27Å; W49-V88 HydrophobicContact CZ3-CG2 4.19Å; G72-V88 PolarHBondContact N-O 3.04Å; G72-V88 PolarHBondContact O-N 2.89Å; P85-V88 HydrophobicContact CB-CG1 3.86Å; P85-V88 HydrophobicContact CG-CG1 3.6Å; V88-I90 HydrophobicContact CG2-CG1 4.13Å; V88-I132 HydrophobicContact CB-CG2 3.73Å; V88-I132 HydrophobicContact CG1-CG2 4.08Å; V88-I132 HydrophobicContact CG2-CG2 3.93Å
89	L	94.3	Very high	81.6	Confident	26 Å²	26	48.8 Å²	48.8	14%	0.136	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.9	168.3	-174.3	72.4	0	0	0	108	L69 I71 E133 Y135	L69-L89 HydrophobicContact CB-CD1 4.43Å; I71-L89 HydrophobicContact CG1-CD1 4.38Å; L89-E133 HydrophobicContact CB-CB 4.37Å; L89-E133 PolarHBondContact N-O 3.38Å; L89-E133 PolarHBondContact O-N 2.95Å; L89-Y135 HydrophobicContact CB-CD2 4.36Å; L89-Y135 HydrophobicContact CD1-CD2 4.48Å
90	I	93.4	Very high	80.2	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.9	178.5	-46.4	159.4	0	0	0	107.5	L37 C41 V57 Y70 V88 F127 I132	L37-I90 HydrophobicContact CB-CD1 4.41Å; L37-I90 HydrophobicContact CD2-CG2 3.71Å; C41-I90 WeakPolarHBondContact SG-CD1 3.22Å; V57-I90 HydrophobicContact CG1-CD1 3.86Å; V57-I90 HydrophobicContact CG2-CD1 3.93Å; Y70-I90 PolarHBondContact N-O 3.23Å; Y70-I90 PolarHBondContact O-N 2.92Å; V88-I90 HydrophobicContact CG2-CG1 4.13Å; I90-F127 HydrophobicContact CG2-CE1 3.95Å; I90-F127 HydrophobicContact CG2-CZ 3.84Å; I90-I132 HydrophobicContact CG2-CG1 4.37Å
91	R	89.8	Confident	78.8	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.4	178.7	-177.1	179.9	-64.8	-93.8	-0.3	109.4	N67 L69 Y93 G130 R131 E133 D289	N67-R91 HydrophobicContact CB-CG 4.09Å; N67-R91 PolarHBondContact ND2-NH1 3.4Å; N67-R91 VanDerWaalsContact ND2-NH1 3.14Å; L69-R91 HydrophobicContact CD2-CB 4.12Å; L69-R91 HydrophobicContact CD2-CG 3.97Å; R91-Y93 HydrophobicContact CG-CD1 4.38Å; R91-Y93 HydrophobicContact CG-CE1 4.29Å; R91-G130 CarbonylContact O-C 3.57Å; R91-G130 WeakPolarHBondContact O-CA 3.37Å; R91-R131 HydrophobicContact CB-CG 4.13Å; R91-R131 VanDerWaalsContact CD-CZ 3.45Å; R91-R131 PolarHBondContact N-O 3.36Å; R91-R131 PolarHBondContact O-N 3.39Å; R91-E133 IonicContact CZ-OE1 2.68Å; R91-E133 IonicContact NE-OE1 2.67Å; R91-E133 PolarHBondContact NE-OE1 2.76Å; R91-D289 IonicContact CZ-OD1 3.83Å; R91-D289 IonicContact CZ-OD2 3.98Å; R91-D289 VanDerWaalsContact CZ-OD2 3.22Å; R91-D289 IonicContact NH1-OD1 3.17Å; R91-D289 PolarHBondContact NH1-OD1 3.02Å; R91-D289 IonicContact NH1-OD2 3.58Å; R91-D289 PolarHBondContact NH1-OD2 2.89Å; R91-D289 IonicContact NH2-OD1 2.68Å; R91-D289 IonicContact NH2-OD2 3.37Å; R91-D289 PolarHBondContact NH2-OD2 3.41Å
92	V	85.9	Confident	78	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.9	174.5	-177.4	0	0	0	0	108.1	V16 P19 L37 Y68 Y70 G94	V16-V92 HydrophobicContact CG1-CG1 3.87Å; V16-V92 HydrophobicContact CG1-CG2 4.22Å; P19-V92 HydrophobicContact CG-CG1 4.22Å; L37-V92 HydrophobicContact CD1-CG2 4.34Å; L37-V92 HydrophobicContact CD2-CG2 3.63Å; Y68-V92 PolarHBondContact N-O 3.46Å; Y68-V92 PolarHBondContact O-N 3.28Å; Y70-V92 HydrophobicContact CD2-CG2 3.89Å; Y70-V92 HydrophobicContact CE2-CB 4.38Å; Y70-V92 HydrophobicContact CE2-CG2 3.87Å; V92-G94 PolarHBondContact O-N 2.95Å
93	Y	81.2	Confident	77.8	Confident	1 Å²	1	40 Å²	40	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	127.9	-177.2	-56.1	-36.2	0	0	0	110.8	N67 R91 L97 R98 I104 G129 R131	N67-Y93 WeakPolarHBondContact OD1-CA 3.49Å; R91-Y93 HydrophobicContact CG-CD1 4.38Å; R91-Y93 HydrophobicContact CG-CE1 4.29Å; Y93-L97 HydrophobicContact CD1-CD1 3.94Å; Y93-L97 HydrophobicContact CG-CD1 4.36Å; Y93-R98 PolarHBondContact O-NE 3.44Å; Y93-I104 HydrophobicContact CD2-CG2 4.21Å; Y93-I104 HydrophobicContact CE2-CG2 3.86Å; Y93-G129 PolarHBondContact N-O 2.78Å; Y93-R131 HydrophobicContact CE1-CG 4.39Å; Y93-R131 PolarHBondContact OH-NH1 3.35Å
94	G	72.2	Confident	77.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.			trans	-71.6	177.6	167.1	0	0	0	0	0	111.7	D20 S66 V92 V96 R98	D20-G94 VanDerWaalsContact OD2-CA 3.26Å; D20-G94 WeakPolarHBondContact OD2-CA 3.32Å; S66-G94 PolarHBondContact O-N 3.12Å; V92-G94 PolarHBondContact O-N 2.95Å; G94-V96 VanDerWaalsContact C-N 3.31Å; G94-V96 PolarHBondContact O-N 3.14Å; G94-R98 WeakPolarHBondContact O-CG 3.42Å; G94-R98 PolarHBondContact O-N 2.83Å
95	E	66.4	Low	76.9	Confident	24 Å²	24	37.8 Å²	37.8	11%	0.112	20%	0.199	C	C	.	.	H	α-helix	trans	-67.5	-31.2	-168.5	-172.7	52.8	-147.5	0	0	113.9	C18 D20 L97 R98 S99 P195	C18-E95 PolarHBondContact SG-OE2 3.28Å; C18-E95 VanDerWaalsContact SG-OE2 3.38Å; D20-E95 HydrophobicContact CB-CB 4.04Å; D20-E95 PolarHBondContact OD2-N 3.15Å; E95-L97 VanDerWaalsContact C-N 3.35Å; E95-L97 PolarHBondContact O-N 2.59Å; E95-R98 CarbonylContact O-C 3.59Å; E95-R98 WeakPolarHBondContact O-CA 3.49Å; E95-R98 PolarHBondContact O-N 3.39Å; E95-S99 WeakPolarHBondContact O-CB 3.05Å; E95-S99 PolarHBondContact O-N 3.37Å; E95-P195 VanDerWaalsContact CD-CD 3.49Å; E95-P195 HydrophobicContact CG-CG 3.7Å; E95-P195 WeakPolarHBondContact OE1-CG 3.29Å; E95-P195 VanDerWaalsContact OE2-CG 3.23Å; E95-P195 WeakPolarHBondContact OE2-CG 3.08Å
96	V	60.7	Low	76.1	Confident	18 Å²	18	38 Å²	38	11%	0.109	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-42.2	-175.4	174.6	0	0	0	0	111.9	G94 R98 S99 Q431 L434	G94-V96 VanDerWaalsContact C-N 3.31Å; G94-V96 PolarHBondContact O-N 3.14Å; V96-R98 VanDerWaalsContact C-N 3.34Å; V96-S99 PolarHBondContact O-OG 3.07Å; V96-Q431 VanDerWaalsContact CG2-OE1 3.3Å; V96-L434 HydrophobicContact CG2-CB 4.39Å; V96-L434 HydrophobicContact CG2-CD1 3.97Å
97	L	62.8	Low	75.6	Confident	18 Å²	18	33.5 Å²	33.5	9%	0.094	18%	0.184	C	C	.	.	H	α-helix	trans	-67.3	-35.5	171	-81.6	169.6	0	0	0	111.8	N67 Y93 E95 S103 I104 E291	N67-L97 WeakPolarHBondContact OD1-CD1 3.12Å; Y93-L97 HydrophobicContact CD1-CD1 3.94Å; Y93-L97 HydrophobicContact CG-CD1 4.36Å; E95-L97 VanDerWaalsContact C-N 3.35Å; E95-L97 PolarHBondContact O-N 2.59Å; L97-S103 PolarHBondContact O-OG 2.85Å; L97-I104 WeakPolarHBondContact O-CG1 3.43Å; L97-E291 VanDerWaalsContact CD1-OE2 3.27Å; L97-E291 WeakPolarHBondContact CD1-OE2 3.29Å
98	R	62.3	Low	75.1	Confident	39 Å²	39	30.8 Å²	30.8	15%	0.147	18%	0.175	C	C	.	.	H	α-helix	trans	-70.5	-29.7	179.6	-69	-178.4	-179.7	-147.1	-1.3	113.5	V16 C18 Y93 G94 E95 V96 C100 G129	V16-R98 PolarHBondContact O-NH1 2.79Å; V16-R98 PolarHBondContact O-NH2 2.99Å; C18-R98 VanDerWaalsContact N-NH1 3.16Å; Y93-R98 PolarHBondContact O-NE 3.44Å; G94-R98 WeakPolarHBondContact O-CG 3.42Å; G94-R98 PolarHBondContact O-N 2.83Å; E95-R98 CarbonylContact O-C 3.59Å; E95-R98 WeakPolarHBondContact O-CA 3.49Å; E95-R98 PolarHBondContact O-N 3.39Å; V96-R98 VanDerWaalsContact C-N 3.34Å; R98-C100 PolarHBondContact O-N 3.49Å; R98-G129 PolarHBondContact NH2-O 3.19Å; R98-G129 VanDerWaalsContact NH2-O 3.07Å
99	S	57.2	Low	74.7	Confident	49 Å²	49	33.9 Å²	33.9	34%	0.343	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.1	179.1	79.8	0	0	0	0	114.1	E95 V96 K180	E95-S99 WeakPolarHBondContact O-CB 3.05Å; E95-S99 PolarHBondContact O-N 3.37Å; V96-S99 PolarHBondContact O-OG 3.07Å; S99-K180 PolarHBondContact O-NZ 2.83Å
100	C	59.3	Low	74.3	Confident	35 Å²	35	32.7 Å²	32.7	24%	0.236	19%	0.187	C	C	.	.			trans	-139.8	106.4	176.3	-145.5	0	0	0	0	110.8	R98 D102 S103 I104 K180	R98-C100 PolarHBondContact O-N 3.49Å; C100-D102 PolarHBondContact O-N 3.09Å; C100-D102 VanDerWaalsContact O-N 3.15Å; C100-S103 VanDerWaalsContact CB-OG 3.31Å; C100-S103 WeakPolarHBondContact CB-OG 3.4Å; C100-S103 PolarHBondContact O-N 2.86Å; C100-S103 PolarHBondContact O-OG 2.78Å; C100-I104 PolarHBondContact O-N 2.88Å; C100-K180 PolarHBondContact SG-NZ 3.04Å
101	T	59.2	Low	74.2	Confident	98 Å²	98	32.8 Å²	32.8	60%	0.601	19%	0.187	S	C	*	.	H	α-helix	trans	-53.4	-38.5	175.2	-47.7	0	0	0	0	111.9	S103 I104 I105	T101-S103 VanDerWaalsContact C-N 3.31Å; T101-S103 PolarHBondContact O-N 2.86Å; T101-I104 PolarHBondContact O-N 3.29Å; T101-I105 HydrophobicContact CG2-CD1 3.99Å; T101-I105 WeakPolarHBondContact O-CG1 3.02Å; T101-I105 PolarHBondContact O-N 2.79Å
102	D	68.5	Low	74.2	Confident	123 Å²	123	34.2 Å²	34.2	66%	0.658	20%	0.201	S	C	*	.	H	α-helix	trans	-62.7	-34.6	177.4	-65.9	-16.9	0	0	0	112.8	C100 S106	C100-D102 PolarHBondContact O-N 3.09Å; C100-D102 VanDerWaalsContact O-N 3.15Å; D102-S106 VanDerWaalsContact O-CB 3.23Å; D102-S106 WeakPolarHBondContact O-CB 3.47Å; D102-S106 PolarHBondContact O-N 2.9Å
103	S	70.7	Confident	74.4	Confident	17 Å²	17	36.6 Å²	36.6	12%	0.119	21%	0.213	C	C	.	.	H	α-helix	trans	-71.8	-40.6	176.6	59.9	0	0	0	0	111.8	L97 C100 T101 I105 S106 D107	L97-S103 PolarHBondContact O-OG 2.85Å; C100-S103 VanDerWaalsContact CB-OG 3.31Å; C100-S103 WeakPolarHBondContact CB-OG 3.4Å; C100-S103 PolarHBondContact O-N 2.86Å; C100-S103 PolarHBondContact O-OG 2.78Å; T101-S103 VanDerWaalsContact C-N 3.31Å; T101-S103 PolarHBondContact O-N 2.86Å; S103-I105 VanDerWaalsContact C-N 3.34Å; S103-I105 PolarHBondContact O-N 2.68Å; S103-S106 PolarHBondContact O-N 3.34Å; S103-D107 WeakPolarHBondContact O-CB 3.41Å; S103-D107 PolarHBondContact O-N 2.94Å
104	I	74.4	Confident	74.7	Confident	45 Å²	45	36.6 Å²	36.6	23%	0.231	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-44.9	176.6	-53.5	177.3	0	0	0	110.8	Y93 L97 C100 T101 S108	Y93-I104 HydrophobicContact CD2-CG2 4.21Å; Y93-I104 HydrophobicContact CE2-CG2 3.86Å; L97-I104 WeakPolarHBondContact O-CG1 3.43Å; C100-I104 PolarHBondContact O-N 2.88Å; T101-I104 PolarHBondContact O-N 3.29Å; I104-S108 VanDerWaalsContact O-CB 3.26Å; I104-S108 WeakPolarHBondContact O-CB 3.29Å; I104-S108 PolarHBondContact O-N 2.92Å; I104-S108 PolarHBondContact O-OG 2.92Å
105	I	78.8	Confident	75.5	Confident	96 Å²	96	37 Å²	37	49%	0.492	22%	0.216	S	C	.	.	H	α-helix	trans	-64.9	-47.9	179.1	-65.9	169.7	0	0	0	109.6	T101 S103 D107 S108 V109	T101-I105 HydrophobicContact CG2-CD1 3.99Å; T101-I105 WeakPolarHBondContact O-CG1 3.02Å; T101-I105 PolarHBondContact O-N 2.79Å; S103-I105 VanDerWaalsContact C-N 3.34Å; S103-I105 PolarHBondContact O-N 2.68Å; I105-D107 PolarHBondContact O-N 2.82Å; I105-S108 PolarHBondContact O-N 2.83Å; I105-V109 HydrophobicContact CG2-CG2 4.3Å; I105-V109 WeakPolarHBondContact O-CB 3.47Å; I105-V109 VanDerWaalsContact O-CG2 3.23Å; I105-V109 WeakPolarHBondContact O-CG2 3.38Å; I105-V109 PolarHBondContact O-N 2.81Å
106	S	77.6	Confident	76.5	Confident	30 Å²	30	43.3 Å²	43.3	21%	0.21	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-46.9	179.9	-169	0	0	0	0	111.9	D102 S103 V109 N110	D102-S106 VanDerWaalsContact O-CB 3.23Å; D102-S106 WeakPolarHBondContact O-CB 3.47Å; D102-S106 PolarHBondContact O-N 2.9Å; S103-S106 PolarHBondContact O-N 3.34Å; S106-V109 PolarHBondContact O-N 2.96Å; S106-N110 VanDerWaalsContact O-CB 3.23Å; S106-N110 WeakPolarHBondContact O-CB 3.14Å; S106-N110 VanDerWaalsContact O-CG 3.26Å; S106-N110 PolarHBondContact O-N 2.78Å; S106-N110 PolarHBondContact O-ND2 3.37Å
107	D	82	Confident	77.7	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-46.3	177.4	174.2	42.2	0	0	0	111.6	S103 I105 V109 N110 F111 R131 E291	S103-D107 WeakPolarHBondContact O-CB 3.41Å; S103-D107 PolarHBondContact O-N 2.94Å; I105-D107 PolarHBondContact O-N 2.82Å; D107-V109 VanDerWaalsContact C-N 3.34Å; D107-V109 PolarHBondContact O-N 2.91Å; D107-N110 WeakPolarHBondContact O-CB 3.27Å; D107-N110 PolarHBondContact O-N 2.82Å; D107-F111 VanDerWaalsContact O-CB 3.3Å; D107-F111 WeakPolarHBondContact O-CB 3.32Å; D107-F111 PolarHBondContact O-N 3.26Å; D107-R131 IonicContact OD1-NH1 2.93Å; D107-R131 PolarHBondContact OD1-NH1 3Å; D107-R131 IonicContact OD1-NH2 3.22Å; D107-R131 IonicContact OD2-CZ 2.63Å; D107-R131 IonicContact OD2-NH1 3.56Å; D107-R131 PolarHBondContact OD2-NH1 3.04Å; D107-R131 IonicContact OD2-NH2 3.1Å; D107-E291 WeakPolarHBondContact OD1-CA 3.3Å
108	S	85	Confident	78.7	Confident	22 Å²	22	52.8 Å²	52.8	15%	0.154	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-40.2	177.4	-58.6	0	0	0	0	112.4	I104 I105 A112	I104-S108 VanDerWaalsContact O-CB 3.26Å; I104-S108 WeakPolarHBondContact O-CB 3.29Å; I104-S108 PolarHBondContact O-N 2.92Å; I104-S108 PolarHBondContact O-OG 2.92Å; I105-S108 PolarHBondContact O-N 2.83Å; S108-A112 VanDerWaalsContact O-CB 3.29Å; S108-A112 WeakPolarHBondContact O-CB 3.49Å; S108-A112 PolarHBondContact O-N 2.83Å
109	V	88	Confident	79.8	Confident	64 Å²	64	51.6 Å²	51.6	39%	0.388	28%	0.281	S	S	.	.	H	α-helix	trans	-71.7	-42.9	177.1	176	0	0	0	0	111.1	I105 S106 D107 A112 L113 F167	I105-V109 HydrophobicContact CG2-CG2 4.3Å; I105-V109 WeakPolarHBondContact O-CB 3.47Å; I105-V109 VanDerWaalsContact O-CG2 3.23Å; I105-V109 WeakPolarHBondContact O-CG2 3.38Å; I105-V109 PolarHBondContact O-N 2.81Å; S106-V109 PolarHBondContact O-N 2.96Å; D107-V109 VanDerWaalsContact C-N 3.34Å; D107-V109 PolarHBondContact O-N 2.91Å; V109-A112 PolarHBondContact O-N 3.23Å; V109-L113 HydrophobicContact CG1-CD1 3.89Å; V109-L113 HydrophobicContact CG1-CG 4.37Å; V109-L113 WeakPolarHBondContact O-CB 3.09Å; V109-L113 VanDerWaalsContact O-CG 3.28Å; V109-L113 WeakPolarHBondContact O-CG 3.5Å; V109-L113 PolarHBondContact O-N 2.63Å; V109-F167 HydrophobicContact CB-CE1 4.4Å; V109-F167 HydrophobicContact CG1-CE1 3.76Å; V109-F167 HydrophobicContact CG1-CZ 3.87Å
110	N	85.9	Confident	81.2	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-53.6	-54.6	172.9	-86.2	-24	0	0	0	110.3	S106 D107 A112 L113 L114 F167 S293	S106-N110 VanDerWaalsContact O-CB 3.23Å; S106-N110 WeakPolarHBondContact O-CB 3.14Å; S106-N110 VanDerWaalsContact O-CG 3.26Å; S106-N110 PolarHBondContact O-N 2.78Å; S106-N110 PolarHBondContact O-ND2 3.37Å; D107-N110 WeakPolarHBondContact O-CB 3.27Å; D107-N110 PolarHBondContact O-N 2.82Å; N110-A112 PolarHBondContact O-N 2.87Å; N110-L113 PolarHBondContact O-N 3.1Å; N110-L114 WeakPolarHBondContact O-CB 3.29Å; N110-L114 VanDerWaalsContact O-CG 3.27Å; N110-L114 WeakPolarHBondContact O-CG 3.25Å; N110-L114 PolarHBondContact O-N 2.97Å; N110-F167 WeakPolarHBondContact OD1-CE2 3.05Å; N110-F167 WeakPolarHBondContact OD1-CZ 3.5Å; N110-S293 PolarHBondContact ND2-O 3.26Å
111	F	89.3	Confident	82.7	Confident	3 Å²	3	47.9 Å²	47.9	1%	0.013	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-46.9	-177.5	-165.5	-79.7	0	0	0	111.7	D107 L113 L114 S115 P121 L123 E133	D107-F111 VanDerWaalsContact O-CB 3.3Å; D107-F111 WeakPolarHBondContact O-CB 3.32Å; D107-F111 PolarHBondContact O-N 3.26Å; F111-L113 PolarHBondContact O-N 2.97Å; F111-L114 PolarHBondContact O-N 3.13Å; F111-S115 VanDerWaalsContact O-CB 3.31Å; F111-S115 WeakPolarHBondContact O-CB 3.47Å; F111-S115 PolarHBondContact O-N 2.75Å; F111-P121 HydrophobicContact CZ-CB 4.27Å; F111-P121 HydrophobicContact CZ-CG 4.46Å; F111-L123 HydrophobicContact CD1-CB 3.92Å; F111-L123 HydrophobicContact CD1-CD1 3.85Å; F111-L123 HydrophobicContact CD1-CD2 4.33Å; F111-L123 HydrophobicContact CD1-CG 4.24Å; F111-L123 HydrophobicContact CE1-CB 3.83Å; F111-L123 HydrophobicContact CE1-CD1 3.91Å; F111-L123 HydrophobicContact CE1-CG 4.41Å; F111-E133 HydrophobicContact CE1-CG 3.92Å; F111-E133 HydrophobicContact CE2-CG 4.15Å; F111-E133 VanDerWaalsContact CE2-OE2 3.29Å; F111-E133 WeakPolarHBondContact CE2-OE2 3.44Å; F111-E133 HydrophobicContact CZ-CB 4.05Å; F111-E133 HydrophobicContact CZ-CG 3.48Å; F111-E133 VanDerWaalsContact CZ-CG 3.48Å; F111-E133 WeakPolarHBondContact CZ-OE2 3.48Å
112	A	90.5	Very high	84.3	Confident	35 Å²	35	48.3 Å²	48.3	29%	0.289	25%	0.249	S	C	.	.	H	α-helix	trans	-59.1	-45.7	178.1	0	0	0	0	0	111.9	S108 V109 N110 S115 E116 L123	S108-A112 VanDerWaalsContact O-CB 3.29Å; S108-A112 WeakPolarHBondContact O-CB 3.49Å; S108-A112 PolarHBondContact O-N 2.83Å; V109-A112 PolarHBondContact O-N 3.23Å; N110-A112 PolarHBondContact O-N 2.87Å; A112-S115 WeakPolarHBondContact O-CB 3.38Å; A112-S115 PolarHBondContact O-N 3.16Å; A112-E116 WeakPolarHBondContact O-CG 3.24Å; A112-E116 PolarHBondContact O-N 2.9Å; A112-L123 HydrophobicContact CB-CD2 3.87Å
113	L	90.3	Very high	85.5	Confident	50 Å²	50	44.3 Å²	44.3	26%	0.262	23%	0.227	S	C	.	.	H	α-helix	trans	-66.1	-39.5	179	-71.3	172.7	0	0	0	112.7	V109 N110 F111 E116 K117 M165 P166 F167	V109-L113 HydrophobicContact CG1-CD1 3.89Å; V109-L113 HydrophobicContact CG1-CG 4.37Å; V109-L113 WeakPolarHBondContact O-CB 3.09Å; V109-L113 VanDerWaalsContact O-CG 3.28Å; V109-L113 WeakPolarHBondContact O-CG 3.5Å; V109-L113 PolarHBondContact O-N 2.63Å; N110-L113 PolarHBondContact O-N 3.1Å; F111-L113 PolarHBondContact O-N 2.97Å; L113-E116 PolarHBondContact O-N 2.95Å; L113-K117 WeakPolarHBondContact O-CB 3.44Å; L113-K117 VanDerWaalsContact O-CG 3.32Å; L113-K117 WeakPolarHBondContact O-CG 3.48Å; L113-K117 PolarHBondContact O-N 3.14Å; L113-M165 HydrophobicContact CB-CE 3.66Å; L113-M165 HydrophobicContact CD1-CE 3.97Å; L113-M165 HydrophobicContact CG-CE 4.49Å; L113-P166 HydrophobicContact CD1-CG 3.51Å; L113-F167 HydrophobicContact CD1-CE2 4.2Å; L113-F167 HydrophobicContact CD1-CZ 3.76Å
114	L	87.7	Confident	86.6	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-71.3	-33.7	178.1	-68.2	172.3	0	0	0	112.1	N110 F111 K118 I119 G120 F160 L163 M165 F290	N110-L114 WeakPolarHBondContact O-CB 3.29Å; N110-L114 VanDerWaalsContact O-CG 3.27Å; N110-L114 WeakPolarHBondContact O-CG 3.25Å; N110-L114 PolarHBondContact O-N 2.97Å; F111-L114 PolarHBondContact O-N 3.13Å; L114-K118 PolarHBondContact O-N 3.09Å; L114-I119 HydrophobicContact CB-CB 4.5Å; L114-I119 HydrophobicContact CD2-CB 4.19Å; L114-I119 HydrophobicContact CD2-CD1 3.84Å; L114-I119 HydrophobicContact CD2-CG2 4.19Å; L114-I119 PolarHBondContact O-N 2.91Å; L114-G120 PolarHBondContact O-N 3.46Å; L114-F160 HydrophobicContact CD1-CE2 4.32Å; L114-F160 HydrophobicContact CD1-CZ 4.32Å; L114-F160 HydrophobicContact CD2-CE2 4.17Å; L114-L163 HydrophobicContact CD2-CD1 3.96Å; L114-M165 HydrophobicContact CD2-CE 4.03Å; L114-M165 HydrophobicContact CD2-SD 4.42Å; L114-M165 HydrophobicContact CG-CE 4.12Å; L114-F290 HydrophobicContact CB-CD2 4.36Å; L114-F290 HydrophobicContact CB-CE2 4.34Å; L114-F290 HydrophobicContact CD1-CB 3.61Å; L114-F290 HydrophobicContact CD1-CD1 3.6Å; L114-F290 HydrophobicContact CD1-CD2 3.38Å; L114-F290 HydrophobicContact CD1-CE1 4.07Å; L114-F290 HydrophobicContact CD1-CE2 3.88Å; L114-F290 HydrophobicContact CD1-CG 3.21Å; L114-F290 HydrophobicContact CD1-CZ 4.19Å
115	S	87.8	Confident	87.4	Confident	9 Å²	9	44.3 Å²	44.3	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-51.3	168.7	166.4	0	0	0	0	110.9	F111 A112 K117 K118 P121 K122 L123	F111-S115 VanDerWaalsContact O-CB 3.31Å; F111-S115 WeakPolarHBondContact O-CB 3.47Å; F111-S115 PolarHBondContact O-N 2.75Å; A112-S115 WeakPolarHBondContact O-CB 3.38Å; A112-S115 PolarHBondContact O-N 3.16Å; S115-K117 VanDerWaalsContact C-N 3.3Å; S115-K117 PolarHBondContact O-N 3.19Å; S115-K118 WeakPolarHBondContact O-CA 3.5Å; S115-K118 PolarHBondContact O-N 3.44Å; S115-P121 WeakPolarHBondContact CB-O 3.49Å; S115-K122 WeakPolarHBondContact OG-CA 3.33Å; S115-L123 PolarHBondContact OG-N 3.24Å
116	E	87.9	Confident	88	Confident	155 Å²	155	43.2 Å²	43.2	72%	0.724	23%	0.226	S	C	*	.	H	α-helix	trans	-64	-34.4	179.8	-72.4	-55.9	117.1	0	0	112.9	A112 L113 K118	A112-E116 WeakPolarHBondContact O-CG 3.24Å; A112-E116 PolarHBondContact O-N 2.9Å; L113-E116 PolarHBondContact O-N 2.95Å; E116-K118 PolarHBondContact O-N 3.29Å
117	K	85.8	Confident	88.5	Confident	103 Å²	103	42.3 Å²	42.3	45%	0.448	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	0.5	173.2	-71.6	176.4	179.2	-70	0	113.6	L113 S115 I119 M165	L113-K117 WeakPolarHBondContact O-CB 3.44Å; L113-K117 VanDerWaalsContact O-CG 3.32Å; L113-K117 WeakPolarHBondContact O-CG 3.48Å; L113-K117 PolarHBondContact O-N 3.14Å; S115-K117 VanDerWaalsContact C-N 3.3Å; S115-K117 PolarHBondContact O-N 3.19Å; K117-I119 HydrophobicContact CB-CD1 3.69Å; K117-I119 HydrophobicContact CB-CG1 3.93Å; K117-I119 HydrophobicContact CD-CD1 4.14Å; K117-I119 PolarHBondContact O-N 2.84Å; K117-M165 HydrophobicContact CD-SD 4.09Å
118	K	85.4	Confident	88.5	Confident	132 Å²	132	46.7 Å²	46.7	57%	0.574	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	38.2	-176.1	-54.7	177.4	-178	173.9	0	112.8	L114 S115 E116 R357	L114-K118 PolarHBondContact O-N 3.09Å; S115-K118 WeakPolarHBondContact O-CA 3.5Å; S115-K118 PolarHBondContact O-N 3.44Å; E116-K118 PolarHBondContact O-N 3.29Å; K118-R357 WeakPolarHBondContact O-CB 3.29Å; K118-R357 PolarHBondContact O-N 3.1Å
119	I	85	Confident	88.1	Confident	14 Å²	14	46.2 Å²	46.2	7%	0.072	25%	0.246	C	C	.	.	S	Bend	trans	-94.9	-38.4	177	-64	169.7	0	0	0	109.9	L114 K117 F160 L163 L286 K356	L114-I119 HydrophobicContact CB-CB 4.5Å; L114-I119 HydrophobicContact CD2-CB 4.19Å; L114-I119 HydrophobicContact CD2-CD1 3.84Å; L114-I119 HydrophobicContact CD2-CG2 4.19Å; L114-I119 PolarHBondContact O-N 2.91Å; K117-I119 HydrophobicContact CB-CD1 3.69Å; K117-I119 HydrophobicContact CB-CG1 3.93Å; K117-I119 HydrophobicContact CD-CD1 4.14Å; K117-I119 PolarHBondContact O-N 2.84Å; I119-F160 HydrophobicContact CG2-CD2 4.34Å; I119-F160 HydrophobicContact CG2-CE2 4.35Å; I119-L163 HydrophobicContact CD1-CD1 3.61Å; I119-L163 HydrophobicContact CD1-CD2 3.4Å; I119-L163 VanDerWaalsContact CD1-CD2 3.4Å; I119-L163 HydrophobicContact CD1-CG 4.16Å; I119-L286 WeakPolarHBondContact O-CD1 3.32Å; I119-K356 HydrophobicContact CD1-CD 4.25Å; I119-K356 HydrophobicContact CG1-CB 4.25Å; I119-K356 HydrophobicContact CG1-CD 3.9Å
120	G	85.8	Confident	88.1	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.01	23%	0.227	C	C	.	.	S	Bend	trans	-114.5	-169.8	177.6	0	0	0	0	0	114	L114 R357	L114-G120 PolarHBondContact O-N 3.46Å; G120-R357 PolarHBondContact O-NH1 2.96Å
121	P	90.7	Very high	88.4	Confident	6 Å²	6	43.2 Å²	43.2	4%	0.039	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-59.1	150.8	170.8	-17.7	30.1	0	0	0	111.4	F111 S115 E134 I136 I288	F111-P121 HydrophobicContact CZ-CB 4.27Å; F111-P121 HydrophobicContact CZ-CG 4.46Å; S115-P121 WeakPolarHBondContact CB-O 3.49Å; P121-E134 HydrophobicContact CB-CB 4.21Å; P121-I136 HydrophobicContact CB-CD1 4.05Å; P121-I136 HydrophobicContact CG-CD1 3.86Å; P121-I288 HydrophobicContact CG-CG2 4.01Å
122	K	92.2	Very high	88.6	Confident	107 Å²	107	43 Å²	43	47%	0.465	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-67.3	134.7	174.3	-179	-178.8	178.4	-178.8	0	110.2	S115 E133 E134	S115-K122 WeakPolarHBondContact OG-CA 3.33Å; K122-E133 CarbonylContact O-C 3.58Å; K122-E133 WeakPolarHBondContact O-CA 3.49Å; K122-E134 HydrophobicContact CB-CB 3.97Å; K122-E134 VanDerWaalsContact CB-OE2 3.27Å; K122-E134 WeakPolarHBondContact CB-OE2 3.44Å; K122-E134 PolarHBondContact N-OE2 2.87Å; K122-E134 PolarHBondContact O-N 2.91Å
123	L	94.2	Very high	88.8	Confident	38 Å²	38	41.6 Å²	41.6	20%	0.199	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	120.7	168.8	-176.2	61.6	0	0	0	110	F111 A112 S115 V126 R131	F111-L123 HydrophobicContact CD1-CB 3.92Å; F111-L123 HydrophobicContact CD1-CD1 3.85Å; F111-L123 HydrophobicContact CD1-CD2 4.33Å; F111-L123 HydrophobicContact CD1-CG 4.24Å; F111-L123 HydrophobicContact CE1-CB 3.83Å; F111-L123 HydrophobicContact CE1-CD1 3.91Å; F111-L123 HydrophobicContact CE1-CG 4.41Å; A112-L123 HydrophobicContact CB-CD2 3.87Å; S115-L123 PolarHBondContact OG-N 3.24Å; L123-V126 HydrophobicContact CD1-CG2 4.08Å; L123-V126 HydrophobicContact CD2-CG2 3.99Å; L123-V126 HydrophobicContact CG-CG2 4.48Å; L123-R131 HydrophobicContact CD1-CB 4.08Å
124	H	93.8	Very high	89	Confident	48 Å²	48	41.6 Å²	41.6	22%	0.222	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-34.5	174	-72.7	-65.1	0	0	0	112.5	L45 I132	L45-H124 HydrophobicContact CD2-CB 3.63Å; H124-I132 WeakPolarHBondContact CA-O 3.36Å; H124-I132 HydrophobicContact CB-CB 4.18Å; H124-I132 HydrophobicContact CB-CG2 3.98Å; H124-I132 WeakPolarHBondContact CB-O 3.5Å; H124-I132 PolarHBondContact N-O 3.16Å
125	G	92.1	Very high	89.2	Confident	15 Å²	15	44.6 Å²	44.6	16%	0.155	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.7	171.2	173.9	0	0	0	0	0	113.1	R131 I132	G125-R131 WeakPolarHBondContact O-CA 3.18Å; G125-I132 PolarHBondContact N-O 3.41Å; G125-I132 PolarHBondContact O-N 3.28Å
126	V	91.1	Very high	89.4	Confident	72 Å²	72	45.8 Å²	45.8	44%	0.436	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.9	-177.9	-177.7	0	0	0	0	108.6	L123 R131	L123-V126 HydrophobicContact CD1-CG2 4.08Å; L123-V126 HydrophobicContact CD2-CG2 3.99Å; L123-V126 HydrophobicContact CG-CG2 4.48Å; V126-R131 HydrophobicContact CG2-CB 4.27Å
127	F	88.3	Confident	89.5	Confident	11 Å²	11	44.4 Å²	44.4	5%	0.048	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162.7	175.5	55.8	-93.6	0	0	0	110.4	V16 L37 Q40 I44 I90 G129 G130 I132	V16-F127 HydrophobicContact CB-CE2 4.14Å; V16-F127 HydrophobicContact CG2-CD2 3.94Å; V16-F127 HydrophobicContact CG2-CE2 3.54Å; V16-F127 HydrophobicContact CG2-CZ 4.42Å; L37-F127 HydrophobicContact CD2-CE2 4.44Å; L37-F127 HydrophobicContact CD2-CZ 4.08Å; Q40-F127 HydrophobicContact CB-CD1 4.19Å; Q40-F127 HydrophobicContact CB-CG 4.3Å; Q40-F127 HydrophobicContact CG-CB 4.26Å; Q40-F127 HydrophobicContact CG-CD1 4.41Å; Q40-F127 HydrophobicContact CG-CD2 4.17Å; Q40-F127 HydrophobicContact CG-CG 4.03Å; I44-F127 HydrophobicContact CD1-CB 4.19Å; I44-F127 HydrophobicContact CD1-CD1 3.95Å; I90-F127 HydrophobicContact CG2-CE1 3.95Å; I90-F127 HydrophobicContact CG2-CZ 3.84Å; F127-G129 PolarHBondContact O-N 3.3Å; F127-G130 VanDerWaalsContact CE2-CA 3.49Å; F127-G130 PolarHBondContact N-O 2.9Å; F127-G130 PolarHBondContact O-N 3.29Å; F127-G130 VanDerWaalsContact O-N 3.07Å; F127-I132 HydrophobicContact CD1-CG1 4.18Å; F127-I132 HydrophobicContact CE1-CG1 3.82Å
128	P	81.5	Confident	89.7	Confident	93 Å²	93	41.4 Å²	41.4	60%	0.604	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	108.9	175.3	-25.8	36	0	0	0	111.6	V16	V16-P128 PolarHBondContact N-O 2.7Å
129	G	77.7	Confident	90.1	Very high	13 Å²	13	40.1 Å²	40.1	13%	0.134	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	98	6.9	178.6	0	0	0	0	0	116.4	Y93 R98 F127	Y93-G129 PolarHBondContact N-O 2.78Å; R98-G129 PolarHBondContact NH2-O 3.19Å; R98-G129 VanDerWaalsContact NH2-O 3.07Å; F127-G129 PolarHBondContact O-N 3.3Å
130	G	87.1	Confident	90.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.7	-170	176.3	0	0	0	0	0	115.5	R91 F127	R91-G130 CarbonylContact O-C 3.57Å; R91-G130 WeakPolarHBondContact O-CA 3.37Å; F127-G130 VanDerWaalsContact CE2-CA 3.49Å; F127-G130 PolarHBondContact N-O 2.9Å; F127-G130 PolarHBondContact O-N 3.29Å; F127-G130 VanDerWaalsContact O-N 3.07Å
131	R	91.5	Very high	90.9	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	158.6	178.1	59.4	177.2	178	-103.7	6.8	112.1	R91 Y93 D107 L123 G125 V126 E133	R91-R131 HydrophobicContact CB-CG 4.13Å; R91-R131 VanDerWaalsContact CD-CZ 3.45Å; R91-R131 PolarHBondContact N-O 3.36Å; R91-R131 PolarHBondContact O-N 3.39Å; Y93-R131 HydrophobicContact CE1-CG 4.39Å; Y93-R131 PolarHBondContact OH-NH1 3.35Å; D107-R131 IonicContact OD1-NH1 2.93Å; D107-R131 PolarHBondContact OD1-NH1 3Å; D107-R131 IonicContact OD1-NH2 3.22Å; D107-R131 IonicContact OD2-CZ 2.63Å; D107-R131 IonicContact OD2-NH1 3.56Å; D107-R131 PolarHBondContact OD2-NH1 3.04Å; D107-R131 IonicContact OD2-NH2 3.1Å; L123-R131 HydrophobicContact CD1-CB 4.08Å; G125-R131 WeakPolarHBondContact O-CA 3.18Å; V126-R131 HydrophobicContact CG2-CB 4.27Å; R131-E133 WeakPolarHBondContact CD-OE1 3.22Å; R131-E133 HydrophobicContact CG-CG 4Å; R131-E133 IonicContact CZ-OE1 3.23Å; R131-E133 IonicContact NE-OE1 2.99Å; R131-E133 PolarHBondContact NE-OE1 3.03Å; R131-E133 IonicContact NH2-OE1 3.24Å
132	I	94.5	Very high	91.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122	173	-51.4	-179.2	0	0	0	107.9	C41 I44 L45 V88 I90 H124 G125 F127	C41-I132 HydrophobicContact CB-CD1 4.43Å; I44-I132 HydrophobicContact CB-CD1 4.02Å; I44-I132 HydrophobicContact CD1-CD1 3.84Å; I44-I132 HydrophobicContact CD1-CG1 4.41Å; I44-I132 HydrophobicContact CG2-CD1 4.08Å; L45-I132 HydrophobicContact CD1-CG2 4.4Å; L45-I132 HydrophobicContact CD2-CG2 4.16Å; L45-I132 HydrophobicContact CG-CD1 4.45Å; V88-I132 HydrophobicContact CB-CG2 3.73Å; V88-I132 HydrophobicContact CG1-CG2 4.08Å; V88-I132 HydrophobicContact CG2-CG2 3.93Å; I90-I132 HydrophobicContact CG2-CG1 4.37Å; H124-I132 WeakPolarHBondContact CA-O 3.36Å; H124-I132 HydrophobicContact CB-CB 4.18Å; H124-I132 HydrophobicContact CB-CG2 3.98Å; H124-I132 WeakPolarHBondContact CB-O 3.5Å; H124-I132 PolarHBondContact N-O 3.16Å; G125-I132 PolarHBondContact N-O 3.41Å; G125-I132 PolarHBondContact O-N 3.28Å; F127-I132 HydrophobicContact CD1-CG1 4.18Å; F127-I132 HydrophobicContact CE1-CG1 3.82Å
133	E	94.4	Very high	91.3	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.019	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	159	-175.5	-51	174.5	-151.4	0	0	109.6	L89 R91 F111 K122 R131 Y135	L89-E133 HydrophobicContact CB-CB 4.37Å; L89-E133 PolarHBondContact N-O 3.38Å; L89-E133 PolarHBondContact O-N 2.95Å; R91-E133 IonicContact CZ-OE1 2.68Å; R91-E133 IonicContact NE-OE1 2.67Å; R91-E133 PolarHBondContact NE-OE1 2.76Å; F111-E133 HydrophobicContact CE1-CG 3.92Å; F111-E133 HydrophobicContact CE2-CG 4.15Å; F111-E133 VanDerWaalsContact CE2-OE2 3.29Å; F111-E133 WeakPolarHBondContact CE2-OE2 3.44Å; F111-E133 HydrophobicContact CZ-CB 4.05Å; F111-E133 HydrophobicContact CZ-CG 3.48Å; F111-E133 VanDerWaalsContact CZ-CG 3.48Å; F111-E133 WeakPolarHBondContact CZ-OE2 3.48Å; K122-E133 CarbonylContact O-C 3.58Å; K122-E133 WeakPolarHBondContact O-CA 3.49Å; R131-E133 WeakPolarHBondContact CD-OE1 3.22Å; R131-E133 HydrophobicContact CG-CG 4Å; R131-E133 IonicContact CZ-OE1 3.23Å; R131-E133 IonicContact NE-OE1 2.99Å; R131-E133 PolarHBondContact NE-OE1 3.03Å; R131-E133 IonicContact NH2-OE1 3.24Å; E133-Y135 PolarHBondContact O-N 3.18Å
134	E	93.8	Very high	91.4	Very high	50 Å²	50	43.3 Å²	43.3	23%	0.234	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	133.5	168.7	174.3	179.5	-164.8	0	0	111.1	P121 K122 I136 R357	P121-E134 HydrophobicContact CB-CB 4.21Å; K122-E134 HydrophobicContact CB-CB 3.97Å; K122-E134 VanDerWaalsContact CB-OE2 3.27Å; K122-E134 WeakPolarHBondContact CB-OE2 3.44Å; K122-E134 PolarHBondContact N-OE2 2.87Å; K122-E134 PolarHBondContact O-N 2.91Å; E134-I136 HydrophobicContact CG-CG1 4.32Å; E134-R357 IonicContact OE1-CZ 2.88Å; E134-R357 IonicContact OE1-NH2 3.66Å; E134-R357 PolarHBondContact OE1-NH2 3.15Å; E134-R357 IonicContact OE2-CZ 2.91Å; E134-R357 IonicContact OE2-NH1 3.86Å; E134-R357 PolarHBondContact OE2-NH1 2.91Å; E134-R357 VanDerWaalsContact OE2-NH1 3.1Å; E134-R357 IonicContact OE2-NH2 3Å; E134-R357 PolarHBondContact OE2-NH2 2.62Å
135	Y	93	Very high	91.5	Very high	64 Å²	64	42 Å²	42	25%	0.251	22%	0.223	S	C	.	.			trans	-83.5	120.1	170.3	-174.9	-99.5	0	0	0	110.4	I71 K87 L89 E133 E137	I71-Y135 HydrophobicContact CD1-CE2 3.85Å; I71-Y135 HydrophobicContact CG1-CE2 4.14Å; I71-Y135 HydrophobicContact CG2-CD2 4.32Å; I71-Y135 HydrophobicContact CG2-CE2 4.29Å; K87-Y135 HydrophobicContact CB-CD1 4.01Å; K87-Y135 HydrophobicContact CB-CG 4.16Å; K87-Y135 HydrophobicContact CD-CD1 3.87Å; K87-Y135 HydrophobicContact CD-CE1 4.03Å; L89-Y135 HydrophobicContact CB-CD2 4.36Å; L89-Y135 HydrophobicContact CD1-CD2 4.48Å; E133-Y135 PolarHBondContact O-N 3.18Å; Y135-E137 HydrophobicContact CD1-CG 4.39Å; Y135-E137 HydrophobicContact CE1-CG 4.21Å
136	I	90.8	Very high	91.8	Very high	34 Å²	34	41.3 Å²	41.3	17%	0.174	22%	0.216	C	C	.	.			trans	-100.4	114.5	178.1	-58.2	-177.6	0	0	0	108.8	P121 E134 S138 L272 L274 L286	P121-I136 HydrophobicContact CB-CD1 4.05Å; P121-I136 HydrophobicContact CG-CD1 3.86Å; E134-I136 HydrophobicContact CG-CG1 4.32Å; I136-S138 PolarHBondContact O-N 3.19Å; I136-S138 PolarHBondContact O-OG 3.24Å; I136-L272 HydrophobicContact CB-CD1 4.21Å; I136-L272 HydrophobicContact CD1-CD1 4.43Å; I136-L272 HydrophobicContact CG2-CD1 4.37Å; I136-L274 HydrophobicContact CG2-CD2 3.72Å; I136-L286 HydrophobicContact CD1-CD2 3.26Å
137	E	90.2	Very high	92.1	Very high	127 Å²	127	40.3 Å²	40.3	59%	0.593	21%	0.211	S	C	*	.	S	Bend	trans	-64.2	95	176.2	-66.5	-73.6	175.7	0	0	109.8	K87 Y135	K87-E137 WeakPolarHBondContact CD-OE1 3.49Å; K87-E137 WeakPolarHBondContact CE-OE1 3.37Å; K87-E137 IonicContact NZ-OE1 2.72Å; K87-E137 PolarHBondContact NZ-OE1 3.37Å; K87-E137 IonicContact NZ-OE2 3.92Å; Y135-E137 HydrophobicContact CD1-CG 4.39Å; Y135-E137 HydrophobicContact CE1-CG 4.21Å
138	S	91.3	Very high	92.5	Very high	39 Å²	39	44.9 Å²	44.9	27%	0.273	24%	0.235	S	C	.	.			trans	-164.4	179.6	-171.1	58.8	0	0	0	0	110.3	I136 L272 L273	I136-S138 PolarHBondContact O-N 3.19Å; I136-S138 PolarHBondContact O-OG 3.24Å; S138-L272 WeakPolarHBondContact OG-CD1 3.47Å; S138-L273 WeakPolarHBondContact CB-O 3.43Å
139	R	92.2	Very high	93.1	Very high	105 Å²	105	40.5 Å²	40.5	40%	0.396	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153	168	62.6	168.9	-179.6	84.9	-8.5	110.1	E145 L272 L273	R139-E145 IonicContact CZ-OE1 3.4Å; R139-E145 IonicContact CZ-OE2 3.73Å; R139-E145 IonicContact NH1-OE1 3.21Å; R139-E145 PolarHBondContact NH1-OE1 3.34Å; R139-E145 IonicContact NH1-OE2 2.82Å; R139-E145 PolarHBondContact NH1-OE2 3.17Å; R139-E145 IonicContact NH2-OE1 2.68Å; R139-E145 PolarHBondContact NH2-OE1 2.7Å; R139-E145 IonicContact NH2-OE2 3.74Å; R139-L272 CarbonylContact O-C 3.48Å; R139-L272 WeakPolarHBondContact O-CA 3.32Å; R139-L273 HydrophobicContact CG-CB 4.36Å; R139-L273 PolarHBondContact O-N 3.06Å
140	P	93.2	Very high	94.1	Very high	47 Å²	47	40.4 Å²	40.4	31%	0.305	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	158.3	165.1	28.2	-34.2	0	0	0	110.7	L271	P140-L271 CarbonylContact C-O 3.59Å; P140-L271 WeakPolarHBondContact CA-O 3.27Å
141	L	95	Very high	94.5	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-68.6	158.9	165.5	-70.2	175.9	0	0	0	110.3	E145 I149 E268 L271 L273 I285	L141-E145 HydrophobicContact CB-CB 4.49Å; L141-E145 HydrophobicContact CD2-CB 4.01Å; L141-I149 HydrophobicContact CD1-CD1 3.55Å; L141-I149 HydrophobicContact CD1-CG1 4.16Å; L141-I149 HydrophobicContact CD1-CG2 4.47Å; L141-E268 HydrophobicContact CB-CB 4.03Å; L141-E268 PolarHBondContact N-O 3.27Å; L141-E268 WeakPolarHBondContact O-CG 3.44Å; L141-L271 HydrophobicContact CD1-CB 3.67Å; L141-L271 HydrophobicContact CD1-CD1 4.03Å; L141-L271 HydrophobicContact CG-CB 4.15Å; L141-L271 WeakPolarHBondContact CG-O 3.21Å; L141-L271 PolarHBondContact N-O 3.32Å; L141-L273 HydrophobicContact CD2-CB 3.96Å; L141-L273 HydrophobicContact CD2-CD1 4.26Å; L141-L273 HydrophobicContact CD2-CD2 4.42Å; L141-L273 HydrophobicContact CD2-CG 4.44Å; L141-I285 HydrophobicContact CD1-CG2 4.09Å
142	T	95.1	Very high	94.6	Very high	57 Å²	57	44.1 Å²	44.1	35%	0.35	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-94.9	156.6	165.9	59.5	0	0	0	0	110	Q144 E145	T142-Q144 PolarHBondContact O-N 3.04Å; T142-Q144 VanDerWaalsContact O-N 3.17Å; T142-E145 PolarHBondContact N-OE2 3.43Å; T142-E145 WeakPolarHBondContact O-CB 2.96Å; T142-E145 PolarHBondContact O-N 2.69Å; T142-E145 VanDerWaalsContact OG1-CG 3.24Å; T142-E145 WeakPolarHBondContact OG1-CG 3.4Å; T142-E145 PolarHBondContact OG1-OE2 2.93Å
143	T	96.7	Very high	94.7	Very high	8 Å²	8	44.1 Å²	44.1	5%	0.049	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-56.6	-34.3	177.4	-43.2	0	0	0	0	111.4	E145 L146 E268 Y311 D312	T143-E145 VanDerWaalsContact C-N 3.25Å; T143-E145 PolarHBondContact O-N 2.65Å; T143-L146 HydrophobicContact CG2-CD1 4.27Å; T143-L146 WeakPolarHBondContact O-CB 3.36Å; T143-L146 PolarHBondContact O-N 3.31Å; T143-E268 PolarHBondContact OG1-OE1 3.39Å; T143-E268 VanDerWaalsContact OG1-OE1 3.07Å; T143-Y311 VanDerWaalsContact CG2-O 3.29Å; T143-Y311 WeakPolarHBondContact CG2-O 3.36Å; T143-Y311 PolarHBondContact OG1-O 2.54Å; T143-D312 HydrophobicContact CG2-CB 4.32Å; T143-D312 WeakPolarHBondContact OG1-CA 3.33Å; T143-D312 WeakPolarHBondContact OG1-CB 3.5Å
144	Q	95.9	Very high	94.8	Very high	118 Å²	118	44 Å²	44	55%	0.551	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-72	-15.4	178.5	-60.2	76.9	22.3	0	0	113.6	T142 P147 D312	T142-Q144 PolarHBondContact O-N 3.04Å; T142-Q144 VanDerWaalsContact O-N 3.17Å; Q144-P147 WeakPolarHBondContact O-CD 2.91Å; Q144-D312 PolarHBondContact NE2-OD2 3.04Å
145	E	96.7	Very high	94.8	Very high	20 Å²	20	43 Å²	43	9%	0.093	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-87.4	-18.9	174.9	-72.8	170.3	120.5	0	0	113.1	R139 L141 T142 T143 P147 L148 I149	R139-E145 IonicContact CZ-OE1 3.4Å; R139-E145 IonicContact CZ-OE2 3.73Å; R139-E145 IonicContact NH1-OE1 3.21Å; R139-E145 PolarHBondContact NH1-OE1 3.34Å; R139-E145 IonicContact NH1-OE2 2.82Å; R139-E145 PolarHBondContact NH1-OE2 3.17Å; R139-E145 IonicContact NH2-OE1 2.68Å; R139-E145 PolarHBondContact NH2-OE1 2.7Å; R139-E145 IonicContact NH2-OE2 3.74Å; L141-E145 HydrophobicContact CB-CB 4.49Å; L141-E145 HydrophobicContact CD2-CB 4.01Å; T142-E145 PolarHBondContact N-OE2 3.43Å; T142-E145 WeakPolarHBondContact O-CB 2.96Å; T142-E145 PolarHBondContact O-N 2.69Å; T142-E145 VanDerWaalsContact OG1-CG 3.24Å; T142-E145 WeakPolarHBondContact OG1-CG 3.4Å; T142-E145 PolarHBondContact OG1-OE2 2.93Å; T143-E145 VanDerWaalsContact C-N 3.25Å; T143-E145 PolarHBondContact O-N 2.65Å; E145-P147 VanDerWaalsContact C-N 3.33Å; E145-L148 HydrophobicContact CG-CD1 4.49Å; E145-L148 WeakPolarHBondContact O-CA 3.34Å; E145-L148 WeakPolarHBondContact O-CB 3.31Å; E145-L148 PolarHBondContact O-N 2.94Å; E145-I149 PolarHBondContact O-N 3.18Å
146	L	97.4	Very high	94.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-54.2	-42.4	179	-63.9	174.1	0	0	0	113	T143 L148 I149 E268 L271 W309	T143-L146 HydrophobicContact CG2-CD1 4.27Å; T143-L146 WeakPolarHBondContact O-CB 3.36Å; T143-L146 PolarHBondContact O-N 3.31Å; L146-L148 VanDerWaalsContact C-N 3.26Å; L146-L148 PolarHBondContact O-N 2.94Å; L146-I149 WeakPolarHBondContact O-CG1 3.24Å; L146-I149 PolarHBondContact O-N 2.92Å; L146-E268 HydrophobicContact CD1-CB 4.18Å; L146-E268 HydrophobicContact CD2-CB 3.9Å; L146-E268 HydrophobicContact CG-CB 4.08Å; L146-L271 HydrophobicContact CD2-CD1 4.11Å; L146-W309 HydrophobicContact CB-CD2 4.33Å; L146-W309 HydrophobicContact CB-CG 4.23Å; L146-W309 HydrophobicContact CD1-CG 4.32Å
147	P	97.3	Very high	95	Very high	52 Å²	52	38.9 Å²	38.9	34%	0.338	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-63.9	-28.1	174.5	-21.3	33.3	0	0	0	114.8	Q144 E145 I149 W309	Q144-P147 WeakPolarHBondContact O-CD 2.91Å; E145-P147 VanDerWaalsContact C-N 3.33Å; P147-I149 VanDerWaalsContact C-N 3.34Å; P147-W309 HydrophobicContact CB-CE3 4.31Å; P147-W309 HydrophobicContact CB-CH2 3.86Å; P147-W309 HydrophobicContact CB-CZ3 3.66Å; P147-W309 HydrophobicContact CG-CD2 4.36Å; P147-W309 HydrophobicContact CG-CE3 3.77Å; P147-W309 HydrophobicContact CG-CH2 4.18Å; P147-W309 HydrophobicContact CG-CZ3 3.66Å
148	L	96.5	Very high	95.2	Very high	106 Å²	106	32.9 Å²	32.9	56%	0.555	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-78.1	-23	-176.4	-53.9	178.8	0	0	0	112.1	E145 L146 Y283	E145-L148 HydrophobicContact CG-CD1 4.49Å; E145-L148 WeakPolarHBondContact O-CA 3.34Å; E145-L148 WeakPolarHBondContact O-CB 3.31Å; E145-L148 PolarHBondContact O-N 2.94Å; L146-L148 VanDerWaalsContact C-N 3.26Å; L146-L148 PolarHBondContact O-N 2.94Å; L148-Y283 HydrophobicContact CB-CE2 4.01Å; L148-Y283 WeakPolarHBondContact CD1-OH 3.22Å
149	I	95.4	Very high	95.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-104.4	12.5	-178.5	66.3	138.8	0	0	0	113.4	L141 E145 L146 P147 E151 V152 A153 L271 Y283 I285	L141-I149 HydrophobicContact CD1-CD1 3.55Å; L141-I149 HydrophobicContact CD1-CG1 4.16Å; L141-I149 HydrophobicContact CD1-CG2 4.47Å; E145-I149 PolarHBondContact O-N 3.18Å; L146-I149 WeakPolarHBondContact O-CG1 3.24Å; L146-I149 PolarHBondContact O-N 2.92Å; P147-I149 VanDerWaalsContact C-N 3.34Å; I149-E151 VanDerWaalsContact C-N 3.32Å; I149-E151 PolarHBondContact O-N 3.3Å; I149-E151 VanDerWaalsContact O-N 3.13Å; I149-V152 HydrophobicContact CB-CB 4.36Å; I149-V152 CarbonylContact O-C 3.55Å; I149-V152 WeakPolarHBondContact O-CA 3.33Å; I149-V152 WeakPolarHBondContact O-CB 3.45Å; I149-V152 PolarHBondContact O-N 3Å; I149-A153 HydrophobicContact CD1-CB 3.83Å; I149-A153 HydrophobicContact CG1-CB 4.5Å; I149-A153 PolarHBondContact O-N 3.17Å; I149-L271 HydrophobicContact CD1-CD1 4.09Å; I149-Y283 HydrophobicContact CG2-CD1 3.41Å; I149-Y283 VanDerWaalsContact CG2-CD1 3.41Å; I149-Y283 HydrophobicContact CG2-CD2 4.04Å; I149-Y283 HydrophobicContact CG2-CE1 4.01Å; I149-Y283 HydrophobicContact CG2-CG 3.44Å; I149-Y283 VanDerWaalsContact CG2-CG 3.44Å; I149-I285 HydrophobicContact CD1-CD1 3.86Å; I149-I285 HydrophobicContact CG2-CG2 4.47Å
150	I	97.1	Very high	95.3	Very high	11 Å²	11	27 Å²	27	6%	0.056	14%	0.143	C	C	.	.	H	α-helix	trans	-50.2	-45.3	-168	-167.8	177.3	0	0	0	114.3	A154 W309 K333 L336 F337	I150-A154 WeakPolarHBondContact O-CB 3.4Å; I150-A154 PolarHBondContact O-N 3.07Å; I150-A154 VanDerWaalsContact O-N 3.08Å; I150-W309 HydrophobicContact CB-CH2 4.31Å; I150-W309 HydrophobicContact CB-CZ2 4.33Å; I150-W309 HydrophobicContact CD1-CH2 3.84Å; I150-W309 HydrophobicContact CD1-CZ2 4.25Å; I150-W309 HydrophobicContact CG1-CH2 4.12Å; I150-W309 HydrophobicContact CG1-CZ2 4.09Å; I150-K333 HydrophobicContact CD1-CB 3.84Å; I150-K333 WeakPolarHBondContact CD1-O 3.21Å; I150-L336 HydrophobicContact CD1-CB 4.38Å; I150-L336 HydrophobicContact CG2-CD2 3.59Å; I150-L336 HydrophobicContact CG2-CG 4.1Å; I150-F337 HydrophobicContact CD1-CB 4.06Å; I150-F337 HydrophobicContact CG1-CB 3.88Å; I150-F337 HydrophobicContact CG1-CD2 3.96Å; I150-F337 HydrophobicContact CG1-CG 4.45Å; I150-F337 WeakPolarHBondContact O-CD2 2.99Å
151	E	95.4	Very high	95.4	Very high	68 Å²	68	25.3 Å²	25.3	32%	0.318	13%	0.131	S	C	.	.	H	α-helix	trans	-74.1	-33.4	177.7	-64.1	-174.9	66.4	0	0	112.7	I149 A154 R155 L336 A340	I149-E151 VanDerWaalsContact C-N 3.32Å; I149-E151 PolarHBondContact O-N 3.3Å; I149-E151 VanDerWaalsContact O-N 3.13Å; E151-A154 PolarHBondContact O-N 3.25Å; E151-R155 WeakPolarHBondContact O-CG 3.32Å; E151-R155 PolarHBondContact O-N 3.34Å; E151-R155 IonicContact OE1-CZ 3.03Å; E151-R155 IonicContact OE1-NH1 2.68Å; E151-R155 IonicContact OE1-NH2 3.89Å; E151-R155 PolarHBondContact OE1-NH2 2.96Å; E151-L336 HydrophobicContact CG-CD1 3.87Å; E151-L336 HydrophobicContact CG-CD2 4.35Å; E151-L336 HydrophobicContact CG-CG 3.89Å; E151-A340 HydrophobicContact CB-CB 3.87Å; E151-A340 HydrophobicContact CG-CB 3.99Å
152	V	94.4	Very high	95.2	Very high	12 Å²	12	29.1 Å²	29.1	7%	0.073	15%	0.148	C	C	.	.	H	α-helix	trans	-68	-47	177.6	-178.4	0	0	0	0	109.9	I149 A154 R155 H156 I285	I149-V152 HydrophobicContact CB-CB 4.36Å; I149-V152 CarbonylContact O-C 3.55Å; I149-V152 WeakPolarHBondContact O-CA 3.33Å; I149-V152 WeakPolarHBondContact O-CB 3.45Å; I149-V152 PolarHBondContact O-N 3Å; V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 PolarHBondContact O-N 3.42Å; V152-R155 PolarHBondContact O-N 3.07Å; V152-H156 PolarHBondContact O-CD2 3.48Å; V152-H156 PolarHBondContact O-N 2.92Å; V152-I285 HydrophobicContact CG1-CD1 3.87Å; V152-I285 HydrophobicContact CG1-CG1 3.85Å
153	A	95.8	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-55	-48.7	171.7	0	0	0	0	0	111.3	I149 R155 H156 M157 F266 F337	I149-A153 HydrophobicContact CD1-CB 3.83Å; I149-A153 HydrophobicContact CG1-CB 4.5Å; I149-A153 PolarHBondContact O-N 3.17Å; A153-R155 PolarHBondContact O-N 3.31Å; A153-H156 PolarHBondContact O-N 3.3Å; A153-M157 WeakPolarHBondContact O-CB 3.44Å; A153-M157 PolarHBondContact O-N 3.03Å; A153-F266 HydrophobicContact CB-CE1 4.02Å; A153-F337 HydrophobicContact CB-CE2 4.21Å
154	A	96.9	Very high	94.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.7	-46	179.8	0	0	0	0	0	112.8	I150 E151 V152 A158 F337 A340	I150-A154 WeakPolarHBondContact O-CB 3.4Å; I150-A154 PolarHBondContact O-N 3.07Å; I150-A154 VanDerWaalsContact O-N 3.08Å; E151-A154 PolarHBondContact O-N 3.25Å; V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 PolarHBondContact O-N 3.42Å; A154-A158 WeakPolarHBondContact O-CB 3.45Å; A154-A158 PolarHBondContact O-N 3.14Å; A154-F337 HydrophobicContact CB-CD1 4.12Å; A154-F337 HydrophobicContact CB-CD2 3.66Å; A154-F337 HydrophobicContact CB-CE1 4.15Å; A154-F337 HydrophobicContact CB-CE2 3.73Å; A154-F337 HydrophobicContact CB-CG 3.87Å; A154-F337 HydrophobicContact CB-CZ 3.97Å; A154-F337 WeakPolarHBondContact CB-O 3.32Å; A154-A340 HydrophobicContact CB-CB 3.78Å
155	R	94.1	Very high	94.4	Very high	30 Å²	30	25.5 Å²	25.5	11%	0.113	14%	0.137	C	C	.	.	H	α-helix	trans	-67.7	-42.7	178.2	-67.8	178.2	-171.7	107.1	10.6	112	E151 V152 A153 A158 S159 A340 E344 F361	E151-R155 WeakPolarHBondContact O-CG 3.32Å; E151-R155 PolarHBondContact O-N 3.34Å; E151-R155 IonicContact OE1-CZ 3.03Å; E151-R155 IonicContact OE1-NH1 2.68Å; E151-R155 IonicContact OE1-NH2 3.89Å; E151-R155 PolarHBondContact OE1-NH2 2.96Å; V152-R155 PolarHBondContact O-N 3.07Å; A153-R155 PolarHBondContact O-N 3.31Å; R155-A158 PolarHBondContact O-N 3.03Å; R155-S159 WeakPolarHBondContact O-CB 3.31Å; R155-S159 PolarHBondContact O-N 2.68Å; R155-A340 HydrophobicContact CG-CB 4.46Å; R155-E344 HydrophobicContact CB-CB 4.32Å; R155-E344 HydrophobicContact CB-CG 4.23Å; R155-E344 HydrophobicContact CG-CB 4.16Å; R155-F361 HydrophobicContact CB-CB 4.09Å; R155-F361 HydrophobicContact CB-CD1 3.8Å; R155-F361 HydrophobicContact CB-CE1 4.39Å; R155-F361 HydrophobicContact CB-CG 3.93Å
156	H	92.6	Very high	94	Very high	11 Å²	11	29.2 Å²	29.2	5%	0.051	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-47.7	174.8	-91.2	-88.5	0	0	0	111.8	V152 A153 S159 F160 F266 I285 P287 F361	V152-H156 PolarHBondContact O-CD2 3.48Å; V152-H156 PolarHBondContact O-N 2.92Å; A153-H156 PolarHBondContact O-N 3.3Å; H156-S159 PolarHBondContact O-N 3.34Å; H156-F160 WeakPolarHBondContact O-CB 3.29Å; H156-F160 PolarHBondContact O-N 2.93Å; H156-F266 HydrophobicContact CB-CZ 4.23Å; H156-I285 PolarHBondContact CE1-O 2.92Å; H156-I285 VanDerWaalsContact CE1-O 3.23Å; H156-I285 PolarHBondContact NE2-O 3.11Å; H156-P287 HydrophobicContact CB-CG 4.38Å; H156-F361 HydrophobicContact CB-CE2 4.44Å; H156-F361 AromaticContact CD2-CD2 3.34Å; H156-F361 WeakPolarHBondContact CD2-CD2 3.31Å; H156-F361 AromaticContact CD2-CE2 3.6Å; H156-F361 AromaticContact CE1-CD2 3.72Å; H156-F361 AromaticContact CE1-CE2 3.48Å; H156-F361 VanDerWaalsContact CE1-CE2 3.48Å; H156-F361 WeakPolarHBondContact CE1-CE2 3.26Å; H156-F361 AromaticContact CG-CD2 3.84Å; H156-F361 AromaticContact CG-CE2 3.59Å; H156-F361 AromaticContact ND1-CE2 3.5Å; H156-F361 WeakPolarHBondContact ND1-CE2 3.31Å; H156-F361 AromaticContact NE2-CD2 3.26Å; H156-F361 VanDerWaalsContact NE2-CD2 3.26Å; H156-F361 WeakPolarHBondContact NE2-CD2 3.39Å; H156-F361 AromaticContact NE2-CE2 3.53Å
157	M	95.7	Very high	93.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-45.4	178.5	-173.6	-178.7	-73.9	0	0	111.2	A153 S159 F160 H161 F266 D301 I302 H305 F337 Y341	A153-M157 WeakPolarHBondContact O-CB 3.44Å; A153-M157 PolarHBondContact O-N 3.03Å; M157-S159 PolarHBondContact O-N 2.68Å; M157-F160 WeakPolarHBondContact O-CB 3.48Å; M157-F160 PolarHBondContact O-N 2.93Å; M157-F160 VanDerWaalsContact O-N 3.09Å; M157-H161 VanDerWaalsContact CG-CE1 3.5Å; M157-H161 WeakPolarHBondContact CG-CE1 3.39Å; M157-H161 WeakPolarHBondContact O-CB 3.48Å; M157-H161 PolarHBondContact O-CD2 3.31Å; M157-H161 VanDerWaalsContact O-CG 3.24Å; M157-H161 PolarHBondContact O-N 3Å; M157-F266 HydrophobicContact CE-CB 3.98Å; M157-F266 HydrophobicContact CE-CD1 3.82Å; M157-F266 HydrophobicContact CE-CD2 4.49Å; M157-F266 HydrophobicContact CE-CE1 4.42Å; M157-F266 HydrophobicContact CE-CG 3.86Å; M157-D301 HydrophobicContact CE-CB 4.42Å; M157-D301 HydrophobicContact SD-CB 4.23Å; M157-I302 HydrophobicContact SD-CB 4.4Å; M157-I302 HydrophobicContact SD-CG1 3.5Å; M157-I302 WeakPolarHBondContact SD-CG1 3.41Å; M157-H305 HydrophobicContact CE-CB 3.78Å; M157-F337 HydrophobicContact CE-CZ 4.28Å; M157-F337 HydrophobicContact SD-CE1 4.39Å; M157-F337 HydrophobicContact SD-CZ 3.84Å; M157-Y341 HydrophobicContact CG-CE2 4.31Å
158	A	95.3	Very high	93.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-45	174.5	0	0	0	0	0	112.3	A154 R155 F160 H161 K162 Y341 E344 A345	A154-A158 WeakPolarHBondContact O-CB 3.45Å; A154-A158 PolarHBondContact O-N 3.14Å; R155-A158 PolarHBondContact O-N 3.03Å; A158-F160 VanDerWaalsContact C-N 3.26Å; A158-F160 PolarHBondContact O-N 3.36Å; A158-H161 PolarHBondContact O-N 3.3Å; A158-K162 WeakPolarHBondContact O-CG 3.09Å; A158-K162 PolarHBondContact O-N 3.07Å; A158-K162 VanDerWaalsContact O-N 3.15Å; A158-Y341 HydrophobicContact CB-CD2 3.63Å; A158-Y341 HydrophobicContact CB-CE2 3.75Å; A158-Y341 HydrophobicContact CB-CG 4.05Å; A158-Y341 WeakPolarHBondContact CB-O 3.31Å; A158-E344 HydrophobicContact CB-CB 3.79Å; A158-E344 HydrophobicContact CB-CG 3.88Å; A158-A345 HydrophobicContact CB-CB 4.29Å
159	S	91.7	Very high	93	Very high	12 Å²	12	32 Å²	32	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-30.4	175.8	176.3	0	0	0	0	112.8	R155 H156 M157 K356	R155-S159 WeakPolarHBondContact O-CB 3.31Å; R155-S159 PolarHBondContact O-N 2.68Å; H156-S159 PolarHBondContact O-N 3.34Å; M157-S159 PolarHBondContact O-N 2.68Å; S159-K356 WeakPolarHBondContact OG-CE 3.32Å
160	F	92.4	Very high	92.8	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.044	20%	0.195	C	C	.	.	H	α-helix	trans	-74	-42.6	175.7	-164.6	-92.8	0	0	0	111	L114 I119 H156 M157 A158 K162 L163 F261 H263 F290	L114-F160 HydrophobicContact CD1-CE2 4.32Å; L114-F160 HydrophobicContact CD1-CZ 4.32Å; L114-F160 HydrophobicContact CD2-CE2 4.17Å; I119-F160 HydrophobicContact CG2-CD2 4.34Å; I119-F160 HydrophobicContact CG2-CE2 4.35Å; H156-F160 WeakPolarHBondContact O-CB 3.29Å; H156-F160 PolarHBondContact O-N 2.93Å; M157-F160 WeakPolarHBondContact O-CB 3.48Å; M157-F160 PolarHBondContact O-N 2.93Å; M157-F160 VanDerWaalsContact O-N 3.09Å; A158-F160 VanDerWaalsContact C-N 3.26Å; A158-F160 PolarHBondContact O-N 3.36Å; F160-K162 PolarHBondContact O-N 3.39Å; F160-L163 HydrophobicContact CD2-CD1 3.64Å; F160-L163 HydrophobicContact CE2-CD1 3.85Å; F160-L163 HydrophobicContact CG-CD1 4Å; F160-L163 HydrophobicContact CZ-CD1 4.39Å; F160-L163 WeakPolarHBondContact O-CB 3.45Å; F160-L163 WeakPolarHBondContact O-CD1 3.45Å; F160-L163 WeakPolarHBondContact O-CG 3.49Å; F160-L163 PolarHBondContact O-N 2.88Å; F160-F261 HydrophobicContact CD1-CD1 4.01Å; F160-F261 HydrophobicContact CD1-CE1 4.47Å; F160-F261 VanDerWaalsContact CD1-O 3.31Å; F160-F261 WeakPolarHBondContact CD1-O 3.43Å; F160-F261 AromaticContact CE1-CD1 3.41Å; F160-F261 HydrophobicContact CE1-CD1 3.41Å; F160-F261 VanDerWaalsContact CE1-CD1 3.41Å; F160-F261 AromaticContact CE1-CE1 3.49Å; F160-F261 HydrophobicContact CE1-CE1 3.49Å; F160-F261 VanDerWaalsContact CE1-CE1 3.49Å; F160-F261 HydrophobicContact CE1-CG 4.49Å; F160-F261 HydrophobicContact CE2-CE1 4.38Å; F160-F261 AromaticContact CZ-CD1 3.83Å; F160-F261 HydrophobicContact CZ-CD1 3.83Å; F160-F261 AromaticContact CZ-CE1 3.45Å; F160-F261 HydrophobicContact CZ-CE1 3.45Å; F160-F261 VanDerWaalsContact CZ-CE1 3.45Å; F160-H263 HydrophobicContact CD1-CB 4.45Å; F160-H263 HydrophobicContact CE1-CB 4.22Å; F160-F290 HydrophobicContact CD2-CE1 4.41Å; F160-F290 AromaticContact CE2-CD1 3.76Å; F160-F290 HydrophobicContact CE2-CD1 3.76Å; F160-F290 AromaticContact CE2-CE1 3.48Å; F160-F290 HydrophobicContact CE2-CE1 3.48Å; F160-F290 VanDerWaalsContact CE2-CE1 3.48Å; F160-F290 HydrophobicContact CE2-CZ 4.4Å; F160-F290 AromaticContact CZ-CD1 3.71Å; F160-F290 HydrophobicContact CZ-CD1 3.71Å; F160-F290 AromaticContact CZ-CE1 3.93Å; F160-F290 HydrophobicContact CZ-CE1 3.93Å
161	H	95.2	Very high	92.5	Very high	11 Å²	11	35.9 Å²	35.9	5%	0.051	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-27.2	175.9	-71.1	-177.9	0	0	0	113.5	M157 A158 L163 V260 F261 D301 Y341	M157-H161 VanDerWaalsContact CG-CE1 3.5Å; M157-H161 WeakPolarHBondContact CG-CE1 3.39Å; M157-H161 WeakPolarHBondContact O-CB 3.48Å; M157-H161 PolarHBondContact O-CD2 3.31Å; M157-H161 VanDerWaalsContact O-CG 3.24Å; M157-H161 PolarHBondContact O-N 3Å; A158-H161 PolarHBondContact O-N 3.3Å; H161-L163 PolarHBondContact O-N 3.13Å; H161-V260 HydrophobicContact CB-CB 3.83Å; H161-V260 HydrophobicContact CB-CG1 4.26Å; H161-V260 HydrophobicContact CB-CG2 3.73Å; H161-F261 WeakPolarHBondContact CA-O 3.47Å; H161-F261 PolarHBondContact CD2-O 2.92Å; H161-F261 VanDerWaalsContact CD2-O 3.26Å; H161-D301 IonicContact CD2-OD2 3.96Å; H161-D301 IonicContact NE2-OD2 2.89Å; H161-D301 PolarHBondContact NE2-OD2 2.91Å; H161-Y341 AromaticContact CE1-CE2 4Å; H161-Y341 AromaticContact ND1-CE2 3.41Å; H161-Y341 WeakPolarHBondContact ND1-CE2 3.26Å; H161-Y341 AromaticContact ND1-CZ 3.51Å; H161-Y341 PolarHBondContact ND1-OH 2.99Å
162	K	91.9	Very high	92	Very high	84 Å²	84	33.7 Å²	33.7	37%	0.365	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-7.8	173.8	-69.9	170.1	86	170	0	114	A158 F160 S164 E344 S347	A158-K162 WeakPolarHBondContact O-CG 3.09Å; A158-K162 PolarHBondContact O-N 3.07Å; A158-K162 VanDerWaalsContact O-N 3.15Å; F160-K162 PolarHBondContact O-N 3.39Å; K162-S164 PolarHBondContact O-N 2.79Å; K162-E344 PolarHBondContact NZ-O 3.14Å; K162-E344 VanDerWaalsContact NZ-O 3.08Å; K162-S347 PolarHBondContact NZ-O 2.88Å; K162-S347 PolarHBondContact NZ-OG 2.93Å
163	L	90.9	Very high	91.4	Very high	12 Å²	12	35.2 Å²	35.2	6%	0.063	20%	0.196	C	C	.	.			trans	-68.7	126.7	-177.7	-63.6	172.6	0	0	0	111.5	L114 I119 F160 H161 M165 F261 Y295	L114-L163 HydrophobicContact CD2-CD1 3.96Å; I119-L163 HydrophobicContact CD1-CD1 3.61Å; I119-L163 HydrophobicContact CD1-CD2 3.4Å; I119-L163 VanDerWaalsContact CD1-CD2 3.4Å; I119-L163 HydrophobicContact CD1-CG 4.16Å; F160-L163 HydrophobicContact CD2-CD1 3.64Å; F160-L163 HydrophobicContact CE2-CD1 3.85Å; F160-L163 HydrophobicContact CG-CD1 4Å; F160-L163 HydrophobicContact CZ-CD1 4.39Å; F160-L163 WeakPolarHBondContact O-CB 3.45Å; F160-L163 WeakPolarHBondContact O-CD1 3.45Å; F160-L163 WeakPolarHBondContact O-CG 3.49Å; F160-L163 PolarHBondContact O-N 2.88Å; H161-L163 PolarHBondContact O-N 3.13Å; L163-M165 HydrophobicContact CB-CG 4.09Å; L163-M165 HydrophobicContact CB-SD 4.45Å; L163-F261 HydrophobicContact CB-CD1 4.14Å; L163-F261 HydrophobicContact CD1-CD1 4.17Å; L163-F261 HydrophobicContact CD1-CE1 4.48Å; L163-Y295 PolarHBondContact O-OH 3.42Å; L163-Y295 VanDerWaalsContact O-OH 3.06Å
164	S	90	Very high	91.1	Very high	93 Å²	93	35.2 Å²	35.2	65%	0.65	20%	0.196	S	C	*	.			trans	-90.1	104.1	167	-171.4	0	0	0	0	109.5	K162	K162-S164 PolarHBondContact O-N 2.79Å
165	M	89.1	Confident	90.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.199	C	C	.	.			trans	-109.3	146.5	-177.9	-62.5	-64.3	-75.8	0	0	110.7	L113 L114 K117 L163 F167 K169 F261 Y295	L113-M165 HydrophobicContact CB-CE 3.66Å; L113-M165 HydrophobicContact CD1-CE 3.97Å; L113-M165 HydrophobicContact CG-CE 4.49Å; L114-M165 HydrophobicContact CD2-CE 4.03Å; L114-M165 HydrophobicContact CD2-SD 4.42Å; L114-M165 HydrophobicContact CG-CE 4.12Å; K117-M165 HydrophobicContact CD-SD 4.09Å; L163-M165 HydrophobicContact CB-CG 4.09Å; L163-M165 HydrophobicContact CB-SD 4.45Å; M165-F167 HydrophobicContact CB-CD2 3.55Å; M165-F167 HydrophobicContact CB-CE2 3.77Å; M165-F167 HydrophobicContact CE-CE2 3.83Å; M165-F167 PolarHBondContact O-N 3.46Å; M165-K169 PolarHBondContact O-NZ 3.32Å; M165-F261 HydrophobicContact CB-CD2 3.9Å; M165-F261 HydrophobicContact CB-CE2 3.88Å; M165-F261 HydrophobicContact CB-CG 4.31Å; M165-F261 HydrophobicContact CB-CZ 4.26Å; M165-F261 HydrophobicContact CE-CE1 4.42Å; M165-F261 HydrophobicContact CE-CZ 4.21Å; M165-F261 HydrophobicContact CG-CD1 3.73Å; M165-F261 HydrophobicContact CG-CD2 3.82Å; M165-F261 HydrophobicContact CG-CE1 3.7Å; M165-F261 HydrophobicContact CG-CE2 3.8Å; M165-F261 HydrophobicContact CG-CG 3.78Å; M165-F261 HydrophobicContact CG-CZ 3.74Å; M165-Y295 HydrophobicContact CB-CE2 4.2Å; M165-Y295 PolarHBondContact N-OH 2.86Å; M165-Y295 VanDerWaalsContact N-OH 3.1Å
166	P	89.5	Confident	90.6	Very high	98 Å²	98	42.5 Å²	42.5	64%	0.636	22%	0.224	S	C	*	.	S	Bend	trans	-79.5	39.6	-173	35.3	-37.7	0	0	0	113.9	L113	L113-P166 HydrophobicContact CD1-CG 3.51Å
167	F	87	Confident	90.4	Very high	48 Å²	48	43.4 Å²	43.4	21%	0.211	23%	0.229	C	C	.	.	S	Bend	trans	-109.7	172.3	178	-51.5	-65.1	0	0	0	112	V109 N110 L113 M165 K169 F261 Y295	V109-F167 HydrophobicContact CB-CE1 4.4Å; V109-F167 HydrophobicContact CG1-CE1 3.76Å; V109-F167 HydrophobicContact CG1-CZ 3.87Å; N110-F167 WeakPolarHBondContact OD1-CE2 3.05Å; N110-F167 WeakPolarHBondContact OD1-CZ 3.5Å; L113-F167 HydrophobicContact CD1-CE2 4.2Å; L113-F167 HydrophobicContact CD1-CZ 3.76Å; M165-F167 HydrophobicContact CB-CD2 3.55Å; M165-F167 HydrophobicContact CB-CE2 3.77Å; M165-F167 HydrophobicContact CE-CE2 3.83Å; M165-F167 PolarHBondContact O-N 3.46Å; F167-K169 PolarHBondContact O-N 3.35Å; F167-K169 PolarHBondContact O-NZ 3.29Å; F167-F261 AromaticContact CD2-CE2 3.84Å; F167-F261 HydrophobicContact CD2-CE2 3.84Å; F167-F261 HydrophobicContact CE2-CE2 4.18Å; F167-F261 HydrophobicContact CE2-CZ 4.41Å; F167-Y295 HydrophobicContact CB-CD2 4.46Å
168	S	89.3	Confident	90.2	Very high	69 Å²	69	43.4 Å²	43.4	48%	0.483	23%	0.229	S	C	.	.			trans	-53.6	129.7	173.3	-171.1	0	0	0	0	110.3	T170 Y295	S168-T170 VanDerWaalsContact C-N 3.26Å; S168-T170 PolarHBondContact OG-OG1 2.97Å; S168-Y295 WeakPolarHBondContact O-CB 3.43Å; S168-Y295 WeakPolarHBondContact O-CD2 3.29Å
169	K	92.7	Very high	90	Very high	101 Å²	101	46.4 Å²	46.4	44%	0.439	25%	0.245	S	C	.	.			trans	-83.8	-1.2	179.4	-58.1	-64.5	176.4	-68.9	0	113.4	M165 F167 I259 Y295	M165-K169 PolarHBondContact O-NZ 3.32Å; F167-K169 PolarHBondContact O-N 3.35Å; F167-K169 PolarHBondContact O-NZ 3.29Å; K169-I259 WeakPolarHBondContact O-CG2 3.34Å; K169-Y295 HydrophobicContact CD-CD1 3.9Å; K169-Y295 HydrophobicContact CD-CD2 3.84Å; K169-Y295 HydrophobicContact CD-CE1 3.49Å; K169-Y295 VanDerWaalsContact CD-CE1 3.49Å; K169-Y295 HydrophobicContact CD-CE2 3.41Å; K169-Y295 VanDerWaalsContact CD-CE2 3.41Å; K169-Y295 HydrophobicContact CD-CG 4.08Å; K169-Y295 VanDerWaalsContact CE-OH 3.26Å; K169-Y295 WeakPolarHBondContact CE-OH 3.47Å
170	T	92	Very high	89.9	Confident	72 Å²	72	49.1 Å²	49.1	44%	0.442	26%	0.255	S	S	.	.	S	Bend	trans	-82.5	147.5	175	59.3	0	0	0	0	110	S168 S172	S168-T170 VanDerWaalsContact C-N 3.26Å; S168-T170 PolarHBondContact OG-OG1 2.97Å; T170-S172 PolarHBondContact O-N 3.38Å; T170-S172 PolarHBondContact OG1-OG 2.86Å; T170-S172 VanDerWaalsContact OG1-OG 3.08Å
171	P	90.4	Very high	89.8	Confident	21 Å²	21	49.1 Å²	49.1	14%	0.136	26%	0.255	C	S	.	.	S	Bend	trans	-77.1	45.8	-179	34.7	-35.2	0	0	0	111.5	I175 I259 Y295 Y297	P171-I175 VanDerWaalsContact O-CG1 3.29Å; P171-I175 WeakPolarHBondContact O-CG1 3.41Å; P171-I259 HydrophobicContact CB-CG1 4.21Å; P171-I259 HydrophobicContact CB-CG2 4.35Å; P171-I259 HydrophobicContact CG-CD1 3.91Å; P171-I259 HydrophobicContact CG-CG1 4.08Å; P171-Y295 WeakPolarHBondContact CA-O 3.35Å; P171-Y297 HydrophobicContact CB-CD2 3.8Å; P171-Y297 HydrophobicContact CB-CE2 3.55Å; P171-Y297 HydrophobicContact CB-CG 4.41Å; P171-Y297 HydrophobicContact CG-CD2 4.31Å; P171-Y297 HydrophobicContact CG-CE1 4.19Å; P171-Y297 HydrophobicContact CG-CE2 3.59Å
172	S	84.6	Confident	89.7	Confident	21 Å²	21	49.2 Å²	49.2	15%	0.147	26%	0.256	C	S	.	.	H	α-helix	trans	-92.4	-16.6	-168.4	59	0	0	0	0	113.3	T170 R176	T170-S172 PolarHBondContact O-N 3.38Å; T170-S172 PolarHBondContact OG1-OG 2.86Å; T170-S172 VanDerWaalsContact OG1-OG 3.08Å; S172-R176 WeakPolarHBondContact O-CB 3.35Å; S172-R176 WeakPolarHBondContact O-CD 3.19Å; S172-R176 WeakPolarHBondContact O-CG 3.38Å; S172-R176 PolarHBondContact O-N 2.95Å
173	F	83.1	Confident	89.6	Confident	45 Å²	45	48.1 Å²	48.1	20%	0.197	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-59.5	-172.6	-179.8	-104.5	0	0	0	112.2	I175 R176 M177 Y292	F173-I175 PolarHBondContact O-N 3.4Å; F173-R176 PolarHBondContact O-N 3.47Å; F173-M177 HydrophobicContact CE1-CE 3.83Å; F173-M177 HydrophobicContact CE2-CE 4.07Å; F173-M177 HydrophobicContact CZ-CE 3.46Å; F173-M177 VanDerWaalsContact CZ-CE 3.46Å; F173-M177 WeakPolarHBondContact O-CB 3.34Å; F173-M177 PolarHBondContact O-N 3.3Å; F173-Y292 WeakPolarHBondContact CE1-O 3.29Å
174	I	89.1	Confident	89.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-41.3	178.1	-67.4	-59.3	0	0	0	111.2	R176 M177 F178 N264 N296 F300 F423	I174-R176 PolarHBondContact O-N 2.9Å; I174-M177 PolarHBondContact O-N 3.26Å; I174-F178 WeakPolarHBondContact O-CB 3.34Å; I174-F178 PolarHBondContact O-N 2.94Å; I174-N264 HydrophobicContact CD1-CB 4.03Å; I174-N264 HydrophobicContact CG1-CB 4.36Å; I174-N296 WeakPolarHBondContact CG1-ND2 3.43Å; I174-F300 HydrophobicContact CG1-CE1 4.48Å; I174-F300 HydrophobicContact CG2-CE2 4.01Å; I174-F300 HydrophobicContact CG2-CZ 4.14Å; I174-F423 HydrophobicContact CD1-CE1 4.41Å; I174-F423 HydrophobicContact CD1-CE2 4.24Å; I174-F423 HydrophobicContact CD1-CZ 3.97Å; I174-F423 HydrophobicContact CG2-CD2 3.74Å; I174-F423 HydrophobicContact CG2-CE2 3.95Å; I174-F423 HydrophobicContact CG2-CG 4.23Å
175	I	90.6	Very high	89.4	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.062	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-47.3	178.3	-62.3	-59.9	0	0	0	111.6	P171 F173 M177 F178 D179 Y242 K246	P171-I175 VanDerWaalsContact O-CG1 3.29Å; P171-I175 WeakPolarHBondContact O-CG1 3.41Å; F173-I175 PolarHBondContact O-N 3.4Å; I175-M177 VanDerWaalsContact C-N 3.35Å; I175-M177 PolarHBondContact O-N 3.3Å; I175-F178 PolarHBondContact O-N 3.37Å; I175-D179 VanDerWaalsContact O-CG 3.28Å; I175-D179 PolarHBondContact O-N 2.96Å; I175-Y242 HydrophobicContact CD1-CE2 4.36Å; I175-Y242 WeakPolarHBondContact CG2-OH 3.33Å; I175-Y242 PolarHBondContact O-OH 2.79Å; I175-K246 HydrophobicContact CG2-CD 4.4Å
176	R	89.1	Confident	89.4	Confident	170 Å²	170	45.9 Å²	45.9	64%	0.642	24%	0.24	S	C	*	.	H	α-helix	trans	-65.1	-38.5	177	-74.4	171.5	179.7	-178.9	1.7	112.4	S172 F173 I174 F178 K180	S172-R176 WeakPolarHBondContact O-CB 3.35Å; S172-R176 WeakPolarHBondContact O-CD 3.19Å; S172-R176 WeakPolarHBondContact O-CG 3.38Å; S172-R176 PolarHBondContact O-N 2.95Å; F173-R176 PolarHBondContact O-N 3.47Å; I174-R176 PolarHBondContact O-N 2.9Å; R176-F178 VanDerWaalsContact C-N 3.33Å; R176-K180 WeakPolarHBondContact O-CB 3.5Å; R176-K180 PolarHBondContact O-N 2.73Å
177	M	88.5	Confident	89.1	Confident	31 Å²	31	43.1 Å²	43.1	15%	0.153	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-40.8	177	-171.8	174.6	-67.5	0	0	110.8	F173 I174 I175 K180 Y181 Y292 F423	F173-M177 HydrophobicContact CE1-CE 3.83Å; F173-M177 HydrophobicContact CE2-CE 4.07Å; F173-M177 HydrophobicContact CZ-CE 3.46Å; F173-M177 VanDerWaalsContact CZ-CE 3.46Å; F173-M177 WeakPolarHBondContact O-CB 3.34Å; F173-M177 PolarHBondContact O-N 3.3Å; I174-M177 PolarHBondContact O-N 3.26Å; I175-M177 VanDerWaalsContact C-N 3.35Å; I175-M177 PolarHBondContact O-N 3.3Å; M177-K180 WeakPolarHBondContact O-CB 3.32Å; M177-K180 PolarHBondContact O-N 3.15Å; M177-Y181 HydrophobicContact CG-CD2 4.35Å; M177-Y181 HydrophobicContact CG-CE1 4.05Å; M177-Y181 HydrophobicContact CG-CE2 3.66Å; M177-Y181 VanDerWaalsContact CG-CZ 3.49Å; M177-Y181 VanDerWaalsContact O-CG 3.31Å; M177-Y181 PolarHBondContact O-N 3.13Å; M177-Y181 HydrophobicContact SD-CE2 4.15Å; M177-Y181 PolarHBondContact SD-OH 2.71Å; M177-Y292 HydrophobicContact CE-CD1 4.27Å; M177-Y292 HydrophobicContact CE-CE1 4.38Å; M177-Y292 HydrophobicContact SD-CD1 3.93Å; M177-Y292 HydrophobicContact SD-CE1 3.76Å; M177-F423 HydrophobicContact CB-CE2 4.12Å; M177-F423 HydrophobicContact CG-CE2 4.02Å; M177-F423 HydrophobicContact CG-CZ 4.17Å; M177-F423 HydrophobicContact SD-CE2 4.12Å; M177-F423 HydrophobicContact SD-CZ 3.67Å
178	F	92.1	Very high	88.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.9	-47.7	175.3	-157.3	168.8	0	0	0	111.8	I174 I175 R176 K180 Y181 L182 Y242 L419 L422 F423 A426	I174-F178 WeakPolarHBondContact O-CB 3.34Å; I174-F178 PolarHBondContact O-N 2.94Å; I175-F178 PolarHBondContact O-N 3.37Å; R176-F178 VanDerWaalsContact C-N 3.33Å; F178-K180 PolarHBondContact O-N 3.05Å; F178-Y181 PolarHBondContact O-N 3.17Å; F178-Y181 VanDerWaalsContact O-N 3.07Å; F178-L182 HydrophobicContact CD2-CD1 4.04Å; F178-L182 HydrophobicContact CD2-CG 3.87Å; F178-L182 HydrophobicContact CE2-CD1 3.81Å; F178-L182 HydrophobicContact CE2-CD2 3.97Å; F178-L182 HydrophobicContact CE2-CG 3.74Å; F178-L182 PolarHBondContact O-N 2.75Å; F178-Y242 HydrophobicContact CB-CE2 4.15Å; F178-Y242 AromaticContact CD1-CD2 3.34Å; F178-Y242 HydrophobicContact CD1-CD2 3.34Å; F178-Y242 AromaticContact CD1-CE2 3.34Å; F178-Y242 HydrophobicContact CD1-CE2 3.34Å; F178-Y242 HydrophobicContact CD1-CG 4.13Å; F178-Y242 AromaticContact CE1-CD2 3.23Å; F178-Y242 HydrophobicContact CE1-CD2 3.23Å; F178-Y242 AromaticContact CE1-CE2 3.79Å; F178-Y242 HydrophobicContact CE1-CE2 3.79Å; F178-Y242 AromaticContact CE1-CG 3.83Å; F178-Y242 HydrophobicContact CE1-CG 3.83Å; F178-Y242 HydrophobicContact CE2-CD2 4.45Å; F178-Y242 HydrophobicContact CE2-CG 4.34Å; F178-Y242 HydrophobicContact CG-CD2 4.02Å; F178-Y242 AromaticContact CG-CE2 3.83Å; F178-Y242 HydrophobicContact CG-CE2 3.83Å; F178-Y242 AromaticContact CZ-CD2 3.83Å; F178-Y242 HydrophobicContact CZ-CD2 3.83Å; F178-Y242 AromaticContact CZ-CG 3.92Å; F178-Y242 HydrophobicContact CZ-CG 3.92Å; F178-L419 HydrophobicContact CD1-CD1 4.49Å; F178-L419 HydrophobicContact CE1-CD1 4.42Å; F178-L422 HydrophobicContact CE1-CB 3.67Å; F178-L422 VanDerWaalsContact CZ-C 3.48Å; F178-L422 HydrophobicContact CZ-CB 3.71Å; F178-L422 WeakPolarHBondContact CZ-O 3.5Å; F178-F423 HydrophobicContact CB-CD2 3.99Å; F178-F423 HydrophobicContact CB-CE2 4.45Å; F178-F423 HydrophobicContact CD1-CB 4.24Å; F178-F423 HydrophobicContact CD1-CD2 4.21Å; F178-F423 HydrophobicContact CE1-CB 4.34Å; F178-F423 HydrophobicContact CG-CD2 4.11Å; F178-A426 HydrophobicContact CD2-CB 3.83Å; F178-A426 HydrophobicContact CE2-CB 3.38Å; F178-A426 HydrophobicContact CZ-CB 4.27Å
179	D	91.9	Very high	87.2	Confident	64 Å²	64	43.9 Å²	43.9	34%	0.342	23%	0.231	S	C	.	.	H	α-helix	trans	-52.9	-42	173.7	-71.3	-27.7	0	0	0	110.9	I175 S183 Y242 K246	I175-D179 VanDerWaalsContact O-CG 3.28Å; I175-D179 PolarHBondContact O-N 2.96Å; D179-S183 VanDerWaalsContact O-CB 3.29Å; D179-S183 WeakPolarHBondContact O-CB 3.43Å; D179-S183 PolarHBondContact O-N 2.97Å; D179-Y242 VanDerWaalsContact CG-OH 3.29Å; D179-Y242 WeakPolarHBondContact OD1-CE1 3.33Å; D179-Y242 VanDerWaalsContact OD1-CZ 3.28Å; D179-Y242 PolarHBondContact OD1-OH 3.06Å; D179-K246 IonicContact OD1-NZ 3.54Å; D179-K246 PolarHBondContact OD1-NZ 3.43Å; D179-K246 IonicContact OD2-NZ 3.39Å; D179-K246 PolarHBondContact OD2-NZ 2.98Å
180	K	88.5	Confident	85.7	Confident	68 Å²	68	46.5 Å²	46.5	30%	0.296	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-47.9	175.9	-174.8	-176.6	178.7	-172.8	0	112	S99 C100 R176 M177 F178 L182 S183 Q184	S99-K180 PolarHBondContact O-NZ 2.83Å; C100-K180 PolarHBondContact SG-NZ 3.04Å; R176-K180 WeakPolarHBondContact O-CB 3.5Å; R176-K180 PolarHBondContact O-N 2.73Å; M177-K180 WeakPolarHBondContact O-CB 3.32Å; M177-K180 PolarHBondContact O-N 3.15Å; F178-K180 PolarHBondContact O-N 3.05Å; K180-L182 PolarHBondContact O-N 3.16Å; K180-S183 PolarHBondContact O-N 3.07Å; K180-Q184 HydrophobicContact CG-CG 4.38Å; K180-Q184 VanDerWaalsContact O-CG 3.31Å; K180-Q184 WeakPolarHBondContact O-CG 3.31Å; K180-Q184 PolarHBondContact O-N 3.49Å
181	Y	90.7	Very high	84.1	Confident	10 Å²	10	48.4 Å²	48.4	4%	0.039	25%	0.248	C	C	.	.	H	α-helix	trans	-59.1	-46.5	179	-66.1	-24.4	0	0	0	112	M177 F178 S183 Q184 L185 F423 W427 V430	M177-Y181 HydrophobicContact CG-CD2 4.35Å; M177-Y181 HydrophobicContact CG-CE1 4.05Å; M177-Y181 HydrophobicContact CG-CE2 3.66Å; M177-Y181 VanDerWaalsContact CG-CZ 3.49Å; M177-Y181 VanDerWaalsContact O-CG 3.31Å; M177-Y181 PolarHBondContact O-N 3.13Å; M177-Y181 HydrophobicContact SD-CE2 4.15Å; M177-Y181 PolarHBondContact SD-OH 2.71Å; F178-Y181 PolarHBondContact O-N 3.17Å; F178-Y181 VanDerWaalsContact O-N 3.07Å; Y181-S183 PolarHBondContact O-N 3.36Å; Y181-Q184 PolarHBondContact O-N 3.34Å; Y181-L185 VanDerWaalsContact O-CG 3.27Å; Y181-L185 WeakPolarHBondContact O-CG 3.45Å; Y181-L185 PolarHBondContact O-N 3.24Å; Y181-F423 HydrophobicContact CD2-CE2 4.25Å; Y181-F423 AromaticContact CE2-CE2 3.84Å; Y181-F423 HydrophobicContact CE2-CE2 3.84Å; Y181-F423 AromaticContact CE2-CZ 3.86Å; Y181-F423 HydrophobicContact CE2-CZ 3.86Å; Y181-W427 HydrophobicContact CD2-CB 4.24Å; Y181-W427 HydrophobicContact CE2-CB 3.81Å; Y181-W427 HydrophobicContact CE2-CG 4.39Å; Y181-V430 HydrophobicContact CD1-CB 4.38Å; Y181-V430 HydrophobicContact CD1-CG1 4.31Å; Y181-V430 HydrophobicContact CD1-CG2 3.88Å; Y181-V430 HydrophobicContact CE1-CG1 4.45Å; Y181-V430 HydrophobicContact CG-CG2 4.06Å
182	L	92.5	Very high	82.7	Confident	13 Å²	13	47.5 Å²	47.5	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-41.4	176.3	-67.9	179.3	0	0	0	111.8	F178 K180 Q184 L185 T186 V233 L238 I239 Y242 A426	F178-L182 HydrophobicContact CD2-CD1 4.04Å; F178-L182 HydrophobicContact CD2-CG 3.87Å; F178-L182 HydrophobicContact CE2-CD1 3.81Å; F178-L182 HydrophobicContact CE2-CD2 3.97Å; F178-L182 HydrophobicContact CE2-CG 3.74Å; F178-L182 PolarHBondContact O-N 2.75Å; K180-L182 PolarHBondContact O-N 3.16Å; L182-Q184 PolarHBondContact O-N 3Å; L182-L185 PolarHBondContact O-N 3.14Å; L182-T186 WeakPolarHBondContact O-CB 3.48Å; L182-T186 VanDerWaalsContact O-CG2 3.3Å; L182-T186 WeakPolarHBondContact O-CG2 3.26Å; L182-T186 PolarHBondContact O-N 2.79Å; L182-T186 VanDerWaalsContact O-N 3.08Å; L182-T186 PolarHBondContact O-OG1 3.46Å; L182-V233 HydrophobicContact CD2-CG1 4.32Å; L182-L238 HydrophobicContact CD2-CB 4.19Å; L182-I239 HydrophobicContact CD2-CG1 4.36Å; L182-Y242 HydrophobicContact CD1-CD1 3.36Å; L182-Y242 HydrophobicContact CD1-CE1 3.94Å; L182-Y242 HydrophobicContact CD1-CG 3.97Å; L182-A426 HydrophobicContact CD2-CB 4.34Å
183	S	90.3	Very high	81.5	Confident	62 Å²	62	50.9 Å²	50.9	43%	0.434	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-46.2	175.6	176.2	0	0	0	0	111.3	D179 K180 Y181 L185 T186 S187	D179-S183 VanDerWaalsContact O-CB 3.29Å; D179-S183 WeakPolarHBondContact O-CB 3.43Å; D179-S183 PolarHBondContact O-N 2.97Å; K180-S183 PolarHBondContact O-N 3.07Å; Y181-S183 PolarHBondContact O-N 3.36Å; S183-L185 PolarHBondContact O-N 3.3Å; S183-T186 PolarHBondContact O-N 3.02Å; S183-T186 PolarHBondContact O-OG1 3.3Å; S183-S187 WeakPolarHBondContact O-CB 3.46Å; S183-S187 PolarHBondContact O-N 3.2Å; S183-S187 PolarHBondContact O-OG 2.95Å
184	Q	86.3	Confident	80.4	Confident	21 Å²	21	51.7 Å²	51.7	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-58	-51.3	176.7	-72.1	178.5	-60	0	0	110.4	K180 Y181 L182 T186 L192 Y226	K180-Q184 HydrophobicContact CG-CG 4.38Å; K180-Q184 VanDerWaalsContact O-CG 3.31Å; K180-Q184 WeakPolarHBondContact O-CG 3.31Å; K180-Q184 PolarHBondContact O-N 3.49Å; Y181-Q184 PolarHBondContact O-N 3.34Å; L182-Q184 PolarHBondContact O-N 3Å; Q184-T186 PolarHBondContact O-N 3.28Å; Q184-T186 VanDerWaalsContact O-N 3.17Å; Q184-L192 HydrophobicContact CB-CD1 3.48Å; Q184-L192 VanDerWaalsContact CB-CD1 3.48Å; Q184-L192 HydrophobicContact CB-CG 3.89Å; Q184-L192 VanDerWaalsContact O-CD1 3.27Å; Q184-L192 WeakPolarHBondContact O-CD1 3.41Å; Q184-Y226 PolarHBondContact O-OH 2.91Å
185	L	89.2	Confident	78.8	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-67.6	-15.5	-176.3	-66.7	165.3	0	0	0	114.7	Y181 L182 S183 L192 Y226 A229 R230 V233 L429 V430	Y181-L185 VanDerWaalsContact O-CG 3.27Å; Y181-L185 WeakPolarHBondContact O-CG 3.45Å; Y181-L185 PolarHBondContact O-N 3.24Å; L182-L185 PolarHBondContact O-N 3.14Å; S183-L185 PolarHBondContact O-N 3.3Å; L185-L192 HydrophobicContact CD2-CD1 4.01Å; L185-L192 HydrophobicContact CG-CD1 4.3Å; L185-Y226 PolarHBondContact O-OH 3.44Å; L185-A229 HydrophobicContact CD2-CB 4.46Å; L185-R230 WeakPolarHBondContact O-CG 3.47Å; L185-V233 HydrophobicContact CB-CG2 3.73Å; L185-V233 HydrophobicContact CD1-CG2 3.84Å; L185-V233 HydrophobicContact CG-CG2 4.29Å; L185-L429 HydrophobicContact CD1-CB 3.71Å; L185-L429 HydrophobicContact CD1-CD1 4.29Å; L185-L429 HydrophobicContact CD2-CB 3.78Å; L185-L429 HydrophobicContact CG-CB 4.42Å; L185-V430 HydrophobicContact CD1-CG2 3.95Å; L185-V430 HydrophobicContact CD2-CG2 4.09Å; L185-V430 HydrophobicContact CG-CG2 3.8Å
186	T	89.2	Confident	77	Confident	36 Å²	36	55.5 Å²	55.5	22%	0.221	28%	0.284	C	S	.	.	H	α-helix	trans	-115.5	-11.6	-175.5	58.3	0	0	0	0	114.6	L182 S183 Q184 R230 V233 I239	L182-T186 WeakPolarHBondContact O-CB 3.48Å; L182-T186 VanDerWaalsContact O-CG2 3.3Å; L182-T186 WeakPolarHBondContact O-CG2 3.26Å; L182-T186 PolarHBondContact O-N 2.79Å; L182-T186 VanDerWaalsContact O-N 3.08Å; L182-T186 PolarHBondContact O-OG1 3.46Å; S183-T186 PolarHBondContact O-N 3.02Å; S183-T186 PolarHBondContact O-OG1 3.3Å; Q184-T186 PolarHBondContact O-N 3.28Å; Q184-T186 VanDerWaalsContact O-N 3.17Å; T186-R230 PolarHBondContact O-NH2 2.58Å; T186-V233 HydrophobicContact CG2-CG1 4.23Å; T186-I239 HydrophobicContact CG2-CD1 3.85Å
187	S	84.1	Confident	75.6	Confident	41 Å²	41	47.7 Å²	47.7	29%	0.287	26%	0.255	S	S	.	.	S	Bend	trans	-81.6	-161.9	-179.7	-62.5	0	0	0	0	112.3	S183 Y226	S183-S187 WeakPolarHBondContact O-CB 3.46Å; S183-S187 PolarHBondContact O-N 3.2Å; S183-S187 PolarHBondContact O-OG 2.95Å; S187-Y226 PolarHBondContact O-OH 3.27Å
188	T	72.6	Confident	74.2	Confident	75 Å²	75	52.2 Å²	52.2	46%	0.46	28%	0.28	S	S	.	.			trans	-70.6	148.1	171	46	0	0	0	0	110.6	E190 H191	T188-E190 PolarHBondContact O-N 3.44Å; T188-H191 PolarHBondContact O-N 2.82Å
189	P	64.7	Low	72.9	Confident	58 Å²	58	52.9 Å²	52.9	38%	0.377	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-56	-27.3	-176.7	-24.7	32.4	0	0	0	114.1	H191 L192 H193 Y226	P189-H191 PolarHBondContact O-N 3.3Å; P189-L192 PolarHBondContact O-N 3.32Å; P189-H193 PolarHBondContact O-CD2 2.88Å; P189-H193 PolarHBondContact O-CE1 3.38Å; P189-H193 PolarHBondContact O-NE2 3.11Å; P189-Y226 HydrophobicContact CB-CD1 4.03Å; P189-Y226 HydrophobicContact CB-CE1 4.24Å; P189-Y226 HydrophobicContact CB-CG 4.24Å; P189-Y226 HydrophobicContact CG-CD1 3.84Å; P189-Y226 HydrophobicContact CG-CE1 3.92Å
190	E	60.7	Low	71.6	Confident	155 Å²	155	50.7 Å²	50.7	72%	0.724	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-51.7	-19.7	-176.8	-63.5	178.4	-179.4	0	0	114.2	T188	T188-E190 PolarHBondContact O-N 3.44Å
191	H	57.4	Low	70.8	Confident	113 Å²	113	51.5 Å²	51.5	52%	0.523	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-94.2	-7.8	-179.2	-60.8	-57.6	0	0	0	115.3	T188 P189	T188-H191 PolarHBondContact O-N 2.82Å; P189-H191 PolarHBondContact O-N 3.3Å
192	L	61.3	Low	69.8	Low	1 Å²	1	56 Å²	56	1%	0.005	31%	0.312	C	S	.	.	S	Bend	trans	-129.9	68.8	-177	-105.8	160.6	0	0	0	109.6	Q184 L185 P189 Y226 V430 Q433 L434	Q184-L192 HydrophobicContact CB-CD1 3.48Å; Q184-L192 VanDerWaalsContact CB-CD1 3.48Å; Q184-L192 HydrophobicContact CB-CG 3.89Å; Q184-L192 VanDerWaalsContact O-CD1 3.27Å; Q184-L192 WeakPolarHBondContact O-CD1 3.41Å; L185-L192 HydrophobicContact CD2-CD1 4.01Å; L185-L192 HydrophobicContact CG-CD1 4.3Å; P189-L192 PolarHBondContact O-N 3.32Å; L192-Y226 HydrophobicContact CB-CD2 3.92Å; L192-Y226 HydrophobicContact CB-CE2 3.76Å; L192-Y226 HydrophobicContact CD1-CD2 4.29Å; L192-Y226 HydrophobicContact CD1-CE2 3.66Å; L192-Y226 HydrophobicContact CG-CE2 4.39Å; L192-V430 HydrophobicContact CD2-CG1 4.17Å; L192-Q433 HydrophobicContact CD2-CB 3.72Å; L192-Q433 HydrophobicContact CD2-CG 4.16Å; L192-L434 HydrophobicContact CD2-CD1 4.18Å; L192-L434 HydrophobicContact CD2-CD2 4.05Å; L192-L434 HydrophobicContact CD2-CG 3.9Å
193	H	59.6	Low	68.7	Low	93 Å²	93	55.4 Å²	55.4	43%	0.431	31%	0.309	S	S	.	.			trans	-127.7	136.7	172.7	-65	-46.8	0	0	0	108.9	P189 P195	P189-H193 PolarHBondContact O-CD2 2.88Å; P189-H193 PolarHBondContact O-CE1 3.38Å; P189-H193 PolarHBondContact O-NE2 3.11Å; H193-P195 VanDerWaalsContact O-N 3.16Å
194	R	60.7	Low	67.7	Low	61 Å²	61	54.4 Å²	54.4	23%	0.23	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-51.6	121.1	164.4	-179.9	-176.4	-75.9	-172.2	11.4	107.3	D20 L434 S435	D20-R194 WeakPolarHBondContact O-CD 3.03Å; D20-R194 PolarHBondContact O-NE 2.93Å; R194-L434 PolarHBondContact NE-O 3.12Å; R194-S435 PolarHBondContact NH2-O 3.27Å
195	P	54.5	Low	67	Low	39 Å²	39	56.5 Å²	56.5	25%	0.253	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-66.6	149.8	-178	32.5	-39.5	0	0	0	109.4	S21 E95 H193	S21-P195 WeakPolarHBondContact CB-O 3.35Å; S21-P195 PolarHBondContact OG-O 2.58Å; S21-P195 VanDerWaalsContact OG-O 3.14Å; E95-P195 VanDerWaalsContact CD-CD 3.49Å; E95-P195 HydrophobicContact CG-CG 3.7Å; E95-P195 WeakPolarHBondContact OE1-CG 3.29Å; E95-P195 VanDerWaalsContact OE2-CG 3.23Å; E95-P195 WeakPolarHBondContact OE2-CG 3.08Å; H193-P195 VanDerWaalsContact O-N 3.16Å
196	S	54.1	Low	66.1	Low	54 Å²	54	59.3 Å²	59.3	38%	0.378	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-55.9	146.9	164.3	-55.9	0	0	0	0	109.5	N198	S196-N198 PolarHBondContact O-N 3.45Å
197	P	57.7	Low	65.1	Low	6 Å²	6	57.6 Å²	57.6	4%	0.039	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-53.2	135.2	174.6	-15.1	19	0	0	0	110.7	S21 I22 F199 L204 F214	S21-P197 VanDerWaalsContact CB-CA 3.42Å; S21-P197 WeakPolarHBondContact O-CG 3.46Å; I22-P197 HydrophobicContact CG1-CB 4.32Å; I22-P197 HydrophobicContact CG1-CG 4.31Å; P197-F199 HydrophobicContact CB-CB 4.41Å; P197-F199 HydrophobicContact CB-CD2 3.21Å; P197-F199 HydrophobicContact CB-CE2 3.58Å; P197-F199 HydrophobicContact CB-CG 3.98Å; P197-F199 HydrophobicContact CG-CD2 3.97Å; P197-F199 HydrophobicContact CG-CE2 4.24Å; P197-F199 PolarHBondContact O-N 3.06Å; P197-L204 HydrophobicContact CB-CD2 4.27Å; P197-L204 HydrophobicContact CG-CD2 4.16Å; P197-F214 HydrophobicContact CG-CB 4.28Å; P197-F214 HydrophobicContact CG-CD1 3.22Å; P197-F214 HydrophobicContact CG-CE1 3.72Å; P197-F214 HydrophobicContact CG-CG 3.86Å
198	N	59.2	Low	64.5	Low	125 Å²	125	60.6 Å²	60.6	67%	0.668	33%	0.327	S	S	*	.			trans	-73.9	57.3	170.6	-73.1	-15.3	0	0	0	110.7	S196	S196-N198 PolarHBondContact O-N 3.45Å
199	F	65.1	Low	64.5	Low	15 Å²	15	61.6 Å²	61.6	7%	0.066	34%	0.337	C	S	.	.			trans	-101	148.8	172.8	-74.7	-45.5	0	0	0	109.3	L8 D12 P17 I22 P197 T203 L204 L207	L8-F199 HydrophobicContact CD1-CE1 3.93Å; L8-F199 HydrophobicContact CD2-CD1 3.58Å; L8-F199 HydrophobicContact CD2-CE1 3.39Å; L8-F199 HydrophobicContact CD2-CG 4.49Å; L8-F199 HydrophobicContact CD2-CZ 4.22Å; L8-F199 HydrophobicContact CG-CE1 4.36Å; D12-F199 WeakPolarHBondContact OD1-CA 3.35Å; P17-F199 HydrophobicContact CB-CE1 3.61Å; P17-F199 HydrophobicContact CB-CZ 3.6Å; P17-F199 HydrophobicContact CG-CD1 4.13Å; P17-F199 HydrophobicContact CG-CE1 3.18Å; P17-F199 HydrophobicContact CG-CZ 3.61Å; I22-F199 HydrophobicContact CD1-CE2 3.58Å; I22-F199 HydrophobicContact CD1-CZ 3.49Å; I22-F199 VanDerWaalsContact CD1-CZ 3.49Å; I22-F199 HydrophobicContact CG1-CE2 4.02Å; I22-F199 HydrophobicContact CG1-CZ 4.43Å; P197-F199 HydrophobicContact CB-CB 4.41Å; P197-F199 HydrophobicContact CB-CD2 3.21Å; P197-F199 HydrophobicContact CB-CE2 3.58Å; P197-F199 HydrophobicContact CB-CG 3.98Å; P197-F199 HydrophobicContact CG-CD2 3.97Å; P197-F199 HydrophobicContact CG-CE2 4.24Å; P197-F199 PolarHBondContact O-N 3.06Å; F199-T203 HydrophobicContact CB-CG2 3.55Å; F199-T203 HydrophobicContact CD1-CG2 3.61Å; F199-T203 HydrophobicContact CD2-CG2 4.03Å; F199-T203 HydrophobicContact CE1-CG2 4.29Å; F199-T203 HydrophobicContact CG-CG2 3.48Å; F199-T203 VanDerWaalsContact CG-CG2 3.48Å; F199-L204 HydrophobicContact CB-CD2 3.87Å; F199-L204 HydrophobicContact CB-CG 3.78Å; F199-L204 HydrophobicContact CD2-CD2 4.22Å; F199-L204 WeakPolarHBondContact O-CD1 3.39Å; F199-L207 HydrophobicContact CD2-CD1 3.56Å; F199-L207 HydrophobicContact CE2-CD1 3.64Å; F199-L207 HydrophobicContact CG-CD1 4.46Å
200	S	65.9	Low	64.6	Low	17 Å²	17	61.8 Å²	61.8	12%	0.119	33%	0.332	C	S	.	.			trans	-58.5	156.7	172.1	83.2	0	0	0	0	110.1	S9 D12 N202 T203 L204	S9-S200 WeakPolarHBondContact CB-OG 2.96Å; S9-S200 VanDerWaalsContact OG-CB 3.31Å; S9-S200 WeakPolarHBondContact OG-CB 3.46Å; S9-S200 PolarHBondContact OG-OG 3.14Å; D12-S200 PolarHBondContact OD1-N 2.81Å; D12-S200 VanDerWaalsContact OD2-CB 3.31Å; D12-S200 WeakPolarHBondContact OD2-CB 3.44Å; D12-S200 PolarHBondContact OD2-N 2.76Å; D12-S200 PolarHBondContact OD2-OG 3.45Å; S200-N202 PolarHBondContact O-N 2.92Å; S200-N202 VanDerWaalsContact O-N 3.16Å; S200-N202 PolarHBondContact OG-N 2.72Å; S200-T203 WeakPolarHBondContact O-CB 3.32Å; S200-T203 PolarHBondContact O-N 3.41Å; S200-T203 PolarHBondContact OG-N 3.31Å; S200-T203 PolarHBondContact OG-OG1 3.39Å; S200-L204 PolarHBondContact O-N 2.88Å
201	S	70.4	Confident	64.8	Low	86 Å²	86	57.6 Å²	57.6	60%	0.601	33%	0.331	S	S	*	.	H	α-helix	trans	-53.9	-35.9	175.9	49.8	0	0	0	0	112.8	S205	S201-S205 VanDerWaalsContact O-CB 3.31Å; S201-S205 WeakPolarHBondContact O-CB 3.43Å; S201-S205 PolarHBondContact O-N 2.86Å; S201-S205 PolarHBondContact O-OG 3.17Å
202	N	71.1	Confident	64.9	Low	104 Å²	104	54.2 Å²	54.2	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-63.6	-47.3	176.7	-69.2	-29.3	0	0	0	111.2	S200 S205 E206	S200-N202 PolarHBondContact O-N 2.92Å; S200-N202 VanDerWaalsContact O-N 3.16Å; S200-N202 PolarHBondContact OG-N 2.72Å; N202-S205 PolarHBondContact O-N 3.26Å; N202-E206 PolarHBondContact O-N 3.27Å
203	T	68.1	Low	64.6	Low	1 Å²	1	56.9 Å²	56.9	1%	0.006	33%	0.333	C	S	.	.	H	α-helix	trans	-65.7	-46.5	-179.9	-68	0	0	0	0	111.9	F6 L8 S9 D12 F199 S200 S205 E206 L207	F6-T203 HydrophobicContact CE1-CG2 4.47Å; F6-T203 HydrophobicContact CE2-CG2 4.15Å; F6-T203 HydrophobicContact CZ-CG2 3.5Å; L8-T203 HydrophobicContact CD2-CG2 3.18Å; S9-T203 PolarHBondContact N-OG1 3.18Å; S9-T203 VanDerWaalsContact N-OG1 3.15Å; D12-T203 WeakPolarHBondContact OD2-CB 3.45Å; D12-T203 PolarHBondContact OD2-OG1 2.97Å; F199-T203 HydrophobicContact CB-CG2 3.55Å; F199-T203 HydrophobicContact CD1-CG2 3.61Å; F199-T203 HydrophobicContact CD2-CG2 4.03Å; F199-T203 HydrophobicContact CE1-CG2 4.29Å; F199-T203 HydrophobicContact CG-CG2 3.48Å; F199-T203 VanDerWaalsContact CG-CG2 3.48Å; S200-T203 WeakPolarHBondContact O-CB 3.32Å; S200-T203 PolarHBondContact O-N 3.41Å; S200-T203 PolarHBondContact OG-N 3.31Å; S200-T203 PolarHBondContact OG-OG1 3.39Å; T203-S205 VanDerWaalsContact C-N 3.27Å; T203-S205 PolarHBondContact O-N 2.93Å; T203-E206 PolarHBondContact O-N 2.62Å; T203-L207 HydrophobicContact CG2-CD1 4.08Å; T203-L207 WeakPolarHBondContact O-CG 3.25Å; T203-L207 PolarHBondContact O-N 2.89Å
204	L	68.9	Low	64.3	Low	40 Å²	40	53.3 Å²	53.3	21%	0.209	32%	0.317	C	S	.	.	H	α-helix	trans	-58.7	-42	175.6	-72.3	172.8	0	0	0	111	P197 F199 S200 L207 Q208 F214	P197-L204 HydrophobicContact CB-CD2 4.27Å; P197-L204 HydrophobicContact CG-CD2 4.16Å; F199-L204 HydrophobicContact CB-CD2 3.87Å; F199-L204 HydrophobicContact CB-CG 3.78Å; F199-L204 HydrophobicContact CD2-CD2 4.22Å; F199-L204 WeakPolarHBondContact O-CD1 3.39Å; S200-L204 PolarHBondContact O-N 2.88Å; L204-L207 PolarHBondContact O-N 3.3Å; L204-Q208 WeakPolarHBondContact O-CB 3.48Å; L204-Q208 VanDerWaalsContact O-CG 3.24Å; L204-Q208 WeakPolarHBondContact O-CG 3.49Å; L204-Q208 PolarHBondContact O-N 3.37Å; L204-F214 HydrophobicContact CD2-CD2 4.15Å; L204-F214 HydrophobicContact CD2-CG 4.27Å
205	S	72.4	Confident	63.6	Low	66 Å²	66	52.9 Å²	52.9	46%	0.462	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-41.6	177.6	-59.1	0	0	0	0	112.1	S201 N202 T203 Q208 S209	S201-S205 VanDerWaalsContact O-CB 3.31Å; S201-S205 WeakPolarHBondContact O-CB 3.43Å; S201-S205 PolarHBondContact O-N 2.86Å; S201-S205 PolarHBondContact O-OG 3.17Å; N202-S205 PolarHBondContact O-N 3.26Å; T203-S205 VanDerWaalsContact C-N 3.27Å; T203-S205 PolarHBondContact O-N 2.93Å; S205-Q208 PolarHBondContact O-N 3.02Å; S205-S209 WeakPolarHBondContact O-CB 3.44Å; S205-S209 PolarHBondContact O-N 3.14Å
206	E	71.5	Confident	63.2	Low	59 Å²	59	56.7 Å²	56.7	28%	0.276	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-45.7	175.8	-171.8	-177.1	158.5	0	0	110.9	F6 N202 T203 S209 K210	F6-E206 HydrophobicContact CD2-CG 4.34Å; F6-E206 HydrophobicContact CE2-CB 4.39Å; F6-E206 HydrophobicContact CE2-CG 4.38Å; N202-E206 PolarHBondContact O-N 3.27Å; T203-E206 PolarHBondContact O-N 2.62Å; E206-S209 PolarHBondContact O-N 3.45Å; E206-S209 PolarHBondContact O-OG 3.08Å; E206-K210 WeakPolarHBondContact O-CG 3.19Å; E206-K210 PolarHBondContact O-N 3.45Å; E206-K210 VanDerWaalsContact O-N 3.1Å; E206-K210 VanDerWaalsContact OE1-CE 3.26Å; E206-K210 WeakPolarHBondContact OE1-CE 3.39Å; E206-K210 IonicContact OE1-NZ 2.72Å; E206-K210 PolarHBondContact OE1-NZ 2.85Å
207	L	67.4	Low	62.4	Low	1 Å²	1	59.2 Å²	59.2	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-63.9	-43.9	177.8	-69.3	167	0	0	0	111.7	F6 I29 F199 T203 L204 S209 K210 G211 F212 F214	F6-L207 HydrophobicContact CD1-CD2 4.48Å; F6-L207 HydrophobicContact CD2-CD2 3.89Å; F6-L207 HydrophobicContact CD2-CG 4.35Å; F6-L207 HydrophobicContact CE1-CD2 4.03Å; F6-L207 HydrophobicContact CE1-CG 4.44Å; F6-L207 HydrophobicContact CE2-CD1 4.2Å; F6-L207 HydrophobicContact CE2-CD2 3.4Å; F6-L207 VanDerWaalsContact CE2-CD2 3.4Å; F6-L207 HydrophobicContact CE2-CG 3.43Å; F6-L207 VanDerWaalsContact CE2-CG 3.43Å; F6-L207 HydrophobicContact CG-CD2 4.37Å; F6-L207 HydrophobicContact CZ-CD1 3.69Å; F6-L207 HydrophobicContact CZ-CD2 3.43Å; F6-L207 VanDerWaalsContact CZ-CD2 3.43Å; F6-L207 HydrophobicContact CZ-CG 3.45Å; F6-L207 VanDerWaalsContact CZ-CG 3.45Å; I29-L207 HydrophobicContact CD1-CD2 4.47Å; F199-L207 HydrophobicContact CD2-CD1 3.56Å; F199-L207 HydrophobicContact CE2-CD1 3.64Å; F199-L207 HydrophobicContact CG-CD1 4.46Å; T203-L207 HydrophobicContact CG2-CD1 4.08Å; T203-L207 WeakPolarHBondContact O-CG 3.25Å; T203-L207 PolarHBondContact O-N 2.89Å; L204-L207 PolarHBondContact O-N 3.3Å; L207-S209 VanDerWaalsContact C-N 3.29Å; L207-S209 PolarHBondContact O-N 3.31Å; L207-K210 CarbonylContact O-C 3.42Å; L207-K210 WeakPolarHBondContact O-CA 3.26Å; L207-K210 PolarHBondContact O-N 3.31Å; L207-G211 PolarHBondContact O-N 3.32Å; L207-F212 HydrophobicContact CB-CB 4.17Å; L207-F212 HydrophobicContact CB-CD2 4Å; L207-F212 HydrophobicContact CB-CG 4.49Å; L207-F212 HydrophobicContact CD2-CD2 3.65Å; L207-F212 HydrophobicContact CD2-CE2 4.02Å; L207-F212 HydrophobicContact CD2-CG 4.45Å; L207-F212 HydrophobicContact CG-CD2 4.48Å; L207-F212 WeakPolarHBondContact O-CB 3.41Å; L207-F212 VanDerWaalsContact O-CD2 3.29Å; L207-F212 WeakPolarHBondContact O-CD2 3.37Å; L207-F212 PolarHBondContact O-N 2.83Å; L207-F214 HydrophobicContact CB-CD2 4.38Å; L207-F214 HydrophobicContact CB-CE2 3.18Å; L207-F214 HydrophobicContact CB-CZ 3.42Å; L207-F214 VanDerWaalsContact CB-CZ 3.42Å; L207-F214 HydrophobicContact CD1-CE1 4.21Å; L207-F214 HydrophobicContact CD1-CE2 3.85Å; L207-F214 HydrophobicContact CD1-CZ 3.43Å; L207-F214 VanDerWaalsContact CD1-CZ 3.43Å; L207-F214 HydrophobicContact CD2-CZ 4.29Å; L207-F214 HydrophobicContact CG-CE2 4.09Å; L207-F214 HydrophobicContact CG-CZ 3.89Å
208	Q	70.9	Confident	61.4	Low	104 Å²	104	61.8 Å²	61.8	49%	0.486	38%	0.381	S	S	.	.	H	α-helix	trans	-57.5	-41.8	173.3	-76.6	174.6	-12.1	0	0	111.8	L204 S205 K210 G211 F212 F214	L204-Q208 WeakPolarHBondContact O-CB 3.48Å; L204-Q208 VanDerWaalsContact O-CG 3.24Å; L204-Q208 WeakPolarHBondContact O-CG 3.49Å; L204-Q208 PolarHBondContact O-N 3.37Å; S205-Q208 PolarHBondContact O-N 3.02Å; Q208-K210 PolarHBondContact O-N 3.38Å; Q208-G211 PolarHBondContact O-N 2.97Å; Q208-F212 WeakPolarHBondContact CA-O 3.13Å; Q208-F214 HydrophobicContact CG-CD2 4.19Å
209	S	72.3	Confident	60.3	Low	96 Å²	96	64.6 Å²	64.6	67%	0.671	39%	0.39	S	S	*	.	H	α-helix	trans	-64.8	-25.3	176.5	80.6	0	0	0	0	113.5	S205 E206 L207 G211	S205-S209 WeakPolarHBondContact O-CB 3.44Å; S205-S209 PolarHBondContact O-N 3.14Å; E206-S209 PolarHBondContact O-N 3.45Å; E206-S209 PolarHBondContact O-OG 3.08Å; L207-S209 VanDerWaalsContact C-N 3.29Å; L207-S209 PolarHBondContact O-N 3.31Å; S209-G211 VanDerWaalsContact C-N 3.27Å
210	K	67.8	Low	59.2	Low	61 Å²	61	70.8 Å²	70.8	27%	0.265	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	5.3	174	-67.7	-179.7	-171.5	175.4	0	113.1	V4 K5 E206 L207 Q208 F212	V4-K210 HydrophobicContact CG1-CD 3.96Å; V4-K210 VanDerWaalsContact CG1-CE 3.44Å; K5-K210 PolarHBondContact O-NZ 3.41Å; E206-K210 WeakPolarHBondContact O-CG 3.19Å; E206-K210 PolarHBondContact O-N 3.45Å; E206-K210 VanDerWaalsContact O-N 3.1Å; E206-K210 VanDerWaalsContact OE1-CE 3.26Å; E206-K210 WeakPolarHBondContact OE1-CE 3.39Å; E206-K210 IonicContact OE1-NZ 2.72Å; E206-K210 PolarHBondContact OE1-NZ 2.85Å; L207-K210 CarbonylContact O-C 3.42Å; L207-K210 WeakPolarHBondContact O-CA 3.26Å; L207-K210 PolarHBondContact O-N 3.31Å; Q208-K210 PolarHBondContact O-N 3.38Å; K210-F212 HydrophobicContact CB-CD2 3.94Å; K210-F212 HydrophobicContact CB-CE2 3.89Å
211	G	63.6	Low	58.3	Low	67 Å²	67	76.3 Å²	76.3	69%	0.691	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	10.1	177	0	0	0	0	0	114.5	L207 Q208 S209 S213	L207-G211 PolarHBondContact O-N 3.32Å; Q208-G211 PolarHBondContact O-N 2.97Å; S209-G211 VanDerWaalsContact C-N 3.27Å; G211-S213 PolarHBondContact O-N 3.43Å
212	F	60.5	Low	57.4	Low	42 Å²	42	74.6 Å²	74.6	18%	0.184	44%	0.436	C	S	.	.			trans	-80.3	113.7	172.2	-60.9	-66.2	0	0	0	110.1	V26 L207 Q208 K210 F214	V26-F212 HydrophobicContact CB-CE1 4.22Å; V26-F212 HydrophobicContact CB-CZ 4.25Å; V26-F212 HydrophobicContact CG1-CE1 3.97Å; V26-F212 HydrophobicContact CG1-CE2 4.37Å; V26-F212 HydrophobicContact CG1-CZ 3.5Å; V26-F212 VanDerWaalsContact CG1-CZ 3.5Å; V26-F212 HydrophobicContact CG2-CD1 4.04Å; V26-F212 HydrophobicContact CG2-CE1 3.18Å; V26-F212 HydrophobicContact CG2-CZ 3.67Å; L207-F212 HydrophobicContact CB-CB 4.17Å; L207-F212 HydrophobicContact CB-CD2 4Å; L207-F212 HydrophobicContact CB-CG 4.49Å; L207-F212 HydrophobicContact CD2-CD2 3.65Å; L207-F212 HydrophobicContact CD2-CE2 4.02Å; L207-F212 HydrophobicContact CD2-CG 4.45Å; L207-F212 HydrophobicContact CG-CD2 4.48Å; L207-F212 WeakPolarHBondContact O-CB 3.41Å; L207-F212 VanDerWaalsContact O-CD2 3.29Å; L207-F212 WeakPolarHBondContact O-CD2 3.37Å; L207-F212 PolarHBondContact O-N 2.83Å; Q208-F212 WeakPolarHBondContact CA-O 3.13Å; K210-F212 HydrophobicContact CB-CD2 3.94Å; K210-F212 HydrophobicContact CB-CE2 3.89Å; F212-F214 HydrophobicContact CB-CD2 4.42Å; F212-F214 HydrophobicContact CB-CE1 4.24Å; F212-F214 HydrophobicContact CB-CE2 3.41Å; F212-F214 VanDerWaalsContact CB-CE2 3.41Å; F212-F214 HydrophobicContact CB-CZ 3.3Å; F212-F214 HydrophobicContact CG-CZ 4.09Å; F212-F214 WeakPolarHBondContact O-CE2 3.27Å
213	S	54	Low	56.9	Low	57 Å²	57	79 Å²	79	40%	0.399	45%	0.452	S	S	.	.			trans	-83.4	121.2	167.2	-172.3	0	0	0	0	109.3	G211 A215 D217	G211-S213 PolarHBondContact O-N 3.43Å; S213-A215 PolarHBondContact OG-N 3.32Å; S213-D217 PolarHBondContact OG-OD2 3.48Å
214	F	54.4	Low	57.2	Low	19 Å²	19	80 Å²	80	8%	0.083	46%	0.459	C	S	.	.			trans	-108.1	1.9	165.5	-50.4	-79.1	0	0	0	111.2	P197 L204 L207 Q208 F212	P197-F214 HydrophobicContact CG-CB 4.28Å; P197-F214 HydrophobicContact CG-CD1 3.22Å; P197-F214 HydrophobicContact CG-CE1 3.72Å; P197-F214 HydrophobicContact CG-CG 3.86Å; L204-F214 HydrophobicContact CD2-CD2 4.15Å; L204-F214 HydrophobicContact CD2-CG 4.27Å; L207-F214 HydrophobicContact CB-CD2 4.38Å; L207-F214 HydrophobicContact CB-CE2 3.18Å; L207-F214 HydrophobicContact CB-CZ 3.42Å; L207-F214 VanDerWaalsContact CB-CZ 3.42Å; L207-F214 HydrophobicContact CD1-CE1 4.21Å; L207-F214 HydrophobicContact CD1-CE2 3.85Å; L207-F214 HydrophobicContact CD1-CZ 3.43Å; L207-F214 VanDerWaalsContact CD1-CZ 3.43Å; L207-F214 HydrophobicContact CD2-CZ 4.29Å; L207-F214 HydrophobicContact CG-CE2 4.09Å; L207-F214 HydrophobicContact CG-CZ 3.89Å; Q208-F214 HydrophobicContact CG-CD2 4.19Å; F212-F214 HydrophobicContact CB-CD2 4.42Å; F212-F214 HydrophobicContact CB-CE1 4.24Å; F212-F214 HydrophobicContact CB-CE2 3.41Å; F212-F214 VanDerWaalsContact CB-CE2 3.41Å; F212-F214 HydrophobicContact CB-CZ 3.3Å; F212-F214 HydrophobicContact CG-CZ 4.09Å; F212-F214 WeakPolarHBondContact O-CE2 3.27Å
215	A	45.3	Very low	57.8	Low	51 Å²	51	80.5 Å²	80.5	42%	0.421	47%	0.466	S	S	.	.	S	Bend	trans	-79.5	137.4	-174.5	0	0	0	0	0	109.1	S213 D217	S213-A215 PolarHBondContact OG-N 3.32Å; A215-D217 WeakPolarHBondContact CB-OD1 3.47Å; A215-D217 PolarHBondContact O-N 3Å
216	N	46.9	Very low	58.4	Low	119 Å²	119	78.4 Å²	78.4	64%	0.636	45%	0.448	S	S	*	.			trans	-65.3	61.6	173.6	-73	-28.8	0	0	0	110.5	G218	N216-G218 PolarHBondContact O-N 3.46Å
217	D	36.5	Very low	59.2	Low	107 Å²	107	80.3 Å²	80.3	57%	0.572	46%	0.457	S	S	*	.			trans	-75.9	43.6	-177.4	-52.8	-15.5	0	0	0	110.9	S213 A215 H219	S213-D217 PolarHBondContact OG-OD2 3.48Å; A215-D217 WeakPolarHBondContact CB-OD1 3.47Å; A215-D217 PolarHBondContact O-N 3Å; D217-H219 PolarHBondContact O-N 2.88Å
218	G	36.9	Very low	60.3	Low	60 Å²	60	85 Å²	85	62%	0.619	48%	0.479	S	S	*	.	S	Bend	trans	60.8	-20.6	161.4	0	0	0	0	0	119.6	N216	N216-G218 PolarHBondContact O-N 3.46Å
219	H	35.5	Very low	61.3	Low	185 Å²	185	80.1 Å²	80.1	86%	0.856	46%	0.456	S	S	*	.	S	Bend	trans	-158.2	6.8	-156.1	-78.3	-60	0	0	0	118.5	D217	D217-H219 PolarHBondContact O-N 2.88Å
220	I	42	Very low	62.2	Low	144 Å²	144	79 Å²	79	74%	0.738	44%	0.437	S	S	*	.	S	Bend	trans	-130	-9.4	-163.1	-57.3	-176.3	0	0	0	118.6
221	L	47.2	Very low	63.5	Low	133 Å²	133	79.8 Å²	79.8	70%	0.696	44%	0.444	S	S	*	.	S	Bend	trans	-127.3	3.9	-169	-72.5	172.5	0	0	0	119.8
222	T	52.3	Low	65	Low	51 Å²	51	77.1 Å²	77.1	31%	0.313	41%	0.414	S	S	.	.			trans	-136.8	97.6	168.3	54.4	0	0	0	0	108.7	P224	T222-P224 CarbonylContact C-O 3.57Å; T222-P224 CarbonylContact O-C 3.49Å
223	E	59.5	Low	66.7	Low	195 Å²	195	75.1 Å²	75.1	91%	0.911	41%	0.405	S	S	*	.	S	Bend	trans	-80.2	124.6	152.1	-74.6	-167.3	170.7	0	0	106.4
224	P	75.1	Confident	68.8	Low	22 Å²	22	77.5 Å²	77.5	14%	0.143	41%	0.406	C	S	.	.	S	Bend	cis	-81.4	157.7	3.9	39.7	-44.6	0	0	0	114.2	T222 E228 Q433 M442	T222-P224 CarbonylContact C-O 3.57Å; T222-P224 CarbonylContact O-C 3.49Å; P224-E228 WeakPolarHBondContact CA-OE2 3.44Å; P224-E228 HydrophobicContact CB-CB 3.93Å; P224-Q433 PolarHBondContact O-NE2 3.3Å; P224-M442 HydrophobicContact CB-CE 4.15Å; P224-M442 HydrophobicContact CB-CG 4.03Å; P224-M442 HydrophobicContact CB-SD 4.41Å; P224-M442 HydrophobicContact CG-CE 4.12Å; P224-M442 HydrophobicContact CG-CG 3.38Å; P224-M442 HydrophobicContact CG-SD 3.74Å
225	S	81.6	Confident	70.8	Confident	51 Å²	51	82.9 Å²	82.9	36%	0.357	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-64.6	158.2	169.6	66.1	0	0	0	0	112.7	E227 E228 A229	S225-E227 PolarHBondContact O-N 3.04Å; S225-E228 WeakPolarHBondContact CB-OE2 3.05Å; S225-E228 PolarHBondContact N-OE2 2.76Å; S225-E228 WeakPolarHBondContact O-CB 3.41Å; S225-E228 PolarHBondContact O-N 2.93Å; S225-E228 VanDerWaalsContact O-N 3.08Å; S225-E228 VanDerWaalsContact OG-CG 3.31Å; S225-E228 WeakPolarHBondContact OG-CG 3.39Å; S225-E228 PolarHBondContact OG-N 3.29Å; S225-E228 PolarHBondContact OG-OE2 2.68Å; S225-A229 PolarHBondContact O-N 2.91Å
226	Y	84.7	Confident	73.2	Confident	22 Å²	22	81.3 Å²	81.3	9%	0.086	42%	0.416	C	S	.	.	H	α-helix	trans	-54.5	-39.5	174.2	178.2	-94.5	0	0	0	112.4	Q184 L185 S187 P189 L192 E228 A229 R230 Q433	Q184-Y226 PolarHBondContact O-OH 2.91Å; L185-Y226 PolarHBondContact O-OH 3.44Å; S187-Y226 PolarHBondContact O-OH 3.27Å; P189-Y226 HydrophobicContact CB-CD1 4.03Å; P189-Y226 HydrophobicContact CB-CE1 4.24Å; P189-Y226 HydrophobicContact CB-CG 4.24Å; P189-Y226 HydrophobicContact CG-CD1 3.84Å; P189-Y226 HydrophobicContact CG-CE1 3.92Å; L192-Y226 HydrophobicContact CB-CD2 3.92Å; L192-Y226 HydrophobicContact CB-CE2 3.76Å; L192-Y226 HydrophobicContact CD1-CD2 4.29Å; L192-Y226 HydrophobicContact CD1-CE2 3.66Å; L192-Y226 HydrophobicContact CG-CE2 4.39Å; Y226-E228 VanDerWaalsContact C-N 3.35Å; Y226-E228 PolarHBondContact O-N 3.22Å; Y226-A229 PolarHBondContact O-N 2.79Å; Y226-R230 HydrophobicContact CE1-CB 4.42Å; Y226-R230 VanDerWaalsContact O-CB 3.29Å; Y226-R230 WeakPolarHBondContact O-CB 3.38Å; Y226-R230 PolarHBondContact O-N 2.92Å; Y226-Q433 VanDerWaalsContact CA-OE1 3.25Å; Y226-Q433 VanDerWaalsContact N-OE1 3.14Å
227	E	88.2	Confident	75.6	Confident	99 Å²	99	77.9 Å²	77.9	46%	0.463	40%	0.402	S	S	.	.	H	α-helix	trans	-67.3	-35.7	179.7	-172.5	56.3	-150.8	0	0	111.7	S225 N231	S225-E227 PolarHBondContact O-N 3.04Å; E227-N231 VanDerWaalsContact O-CB 3.31Å; E227-N231 WeakPolarHBondContact O-CB 3.29Å; E227-N231 PolarHBondContact O-N 2.76Å; E227-N231 PolarHBondContact O-ND2 3.49Å; E227-N231 PolarHBondContact OE1-ND2 3.24Å; E227-N231 VanDerWaalsContact OE1-ND2 3.09Å
228	E	90.9	Very high	78.5	Confident	101 Å²	101	72.8 Å²	72.8	47%	0.472	38%	0.375	S	S	.	.	H	α-helix	trans	-67.2	-43.8	172.7	-73.7	166.2	125.9	0	0	111.8	P224 S225 Y226 R230 N231 M232 M442	P224-E228 WeakPolarHBondContact CA-OE2 3.44Å; P224-E228 HydrophobicContact CB-CB 3.93Å; S225-E228 WeakPolarHBondContact CB-OE2 3.05Å; S225-E228 PolarHBondContact N-OE2 2.76Å; S225-E228 WeakPolarHBondContact O-CB 3.41Å; S225-E228 PolarHBondContact O-N 2.93Å; S225-E228 VanDerWaalsContact O-N 3.08Å; S225-E228 VanDerWaalsContact OG-CG 3.31Å; S225-E228 WeakPolarHBondContact OG-CG 3.39Å; S225-E228 PolarHBondContact OG-N 3.29Å; S225-E228 PolarHBondContact OG-OE2 2.68Å; Y226-E228 VanDerWaalsContact C-N 3.35Å; Y226-E228 PolarHBondContact O-N 3.22Å; E228-R230 VanDerWaalsContact C-N 3.34Å; E228-R230 PolarHBondContact O-N 2.77Å; E228-N231 PolarHBondContact O-N 3.2Å; E228-M232 PolarHBondContact O-N 3.01Å; E228-M442 HydrophobicContact CB-CE 4.48Å
229	A	91.3	Very high	81.4	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-62	-41.9	175	0	0	0	0	0	111.8	L185 S225 Y226 M232 V233 Q433 M442	L185-A229 HydrophobicContact CD2-CB 4.46Å; S225-A229 PolarHBondContact O-N 2.91Å; Y226-A229 PolarHBondContact O-N 2.79Å; A229-M232 VanDerWaalsContact O-CB 3.29Å; A229-M232 WeakPolarHBondContact O-CB 3.46Å; A229-M232 PolarHBondContact O-N 3.13Å; A229-V233 PolarHBondContact O-N 3.43Å; A229-Q433 HydrophobicContact CB-CG 4.24Å; A229-M442 HydrophobicContact CB-SD 4.43Å
230	R	92.8	Very high	84.3	Confident	72 Å²	72	68.5 Å²	68.5	27%	0.272	34%	0.34	S	S	.	.	H	α-helix	trans	-63.7	-46.7	175.5	179.5	178.5	-173.1	162.8	11.3	112.1	L185 T186 Y226 E228 M232 V233 Y234	L185-R230 WeakPolarHBondContact O-CG 3.47Å; T186-R230 PolarHBondContact O-NH2 2.58Å; Y226-R230 HydrophobicContact CE1-CB 4.42Å; Y226-R230 VanDerWaalsContact O-CB 3.29Å; Y226-R230 WeakPolarHBondContact O-CB 3.38Å; Y226-R230 PolarHBondContact O-N 2.92Å; E228-R230 VanDerWaalsContact C-N 3.34Å; E228-R230 PolarHBondContact O-N 2.77Å; R230-M232 PolarHBondContact O-N 2.91Å; R230-V233 WeakPolarHBondContact O-CB 3.4Å; R230-V233 PolarHBondContact O-N 3.12Å; R230-V233 VanDerWaalsContact O-N 3.1Å; R230-Y234 HydrophobicContact CG-CD2 4.5Å; R230-Y234 HydrophobicContact CG-CE2 3.83Å; R230-Y234 WeakPolarHBondContact O-CD2 3.3Å
231	N	94.7	Very high	87	Confident	78 Å²	78	63.1 Å²	63.1	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-35.1	177.5	-76.9	-43.3	0	0	0	111.6	E227 E228 V233 Y234 E235	E227-N231 VanDerWaalsContact O-CB 3.31Å; E227-N231 WeakPolarHBondContact O-CB 3.29Å; E227-N231 PolarHBondContact O-N 2.76Å; E227-N231 PolarHBondContact O-ND2 3.49Å; E227-N231 PolarHBondContact OE1-ND2 3.24Å; E227-N231 VanDerWaalsContact OE1-ND2 3.09Å; E228-N231 PolarHBondContact O-N 3.2Å; N231-V233 VanDerWaalsContact C-N 3.3Å; N231-V233 PolarHBondContact O-N 3.26Å; N231-Y234 PolarHBondContact O-N 3.18Å; N231-E235 PolarHBondContact O-N 3.38Å
232	M	95.4	Very high	89.4	Confident	12 Å²	12	57 Å²	57	6%	0.059	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-36.7	174.3	-160.2	58.9	59.1	0	0	113.1	E228 A229 R230 Y234 E235 L236 L429 M442 K446	E228-M232 PolarHBondContact O-N 3.01Å; A229-M232 VanDerWaalsContact O-CB 3.29Å; A229-M232 WeakPolarHBondContact O-CB 3.46Å; A229-M232 PolarHBondContact O-N 3.13Å; R230-M232 PolarHBondContact O-N 2.91Å; M232-Y234 VanDerWaalsContact C-N 3.28Å; M232-Y234 PolarHBondContact O-N 3.11Å; M232-E235 PolarHBondContact O-N 3.39Å; M232-L236 HydrophobicContact CG-CD1 3.69Å; M232-L236 HydrophobicContact CG-CG 4.13Å; M232-L236 VanDerWaalsContact O-CB 3.28Å; M232-L236 WeakPolarHBondContact O-CB 3.33Å; M232-L236 VanDerWaalsContact O-CG 3.26Å; M232-L236 WeakPolarHBondContact O-CG 3.34Å; M232-L236 PolarHBondContact O-N 3.28Å; M232-L236 HydrophobicContact SD-CD1 4.08Å; M232-L236 HydrophobicContact SD-CG 4.09Å; M232-L429 HydrophobicContact CB-CD1 4.14Å; M232-L429 HydrophobicContact CB-CD2 3.92Å; M232-L429 HydrophobicContact CG-CD1 4.18Å; M232-L429 HydrophobicContact CG-CD2 3.63Å; M232-M442 HydrophobicContact CB-CE 3.92Å; M232-M442 HydrophobicContact CE-CE 3.57Å; M232-M442 HydrophobicContact CG-CE 4.11Å; M232-K446 HydrophobicContact CE-CD 4.42Å; M232-K446 HydrophobicContact SD-CD 4.22Å; M232-K446 WeakPolarHBondContact SD-CE 3.49Å; M232-K446 HydrophobicContact SD-CG 3.84Å
233	V	96.4	Very high	91.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-43.5	176.6	177	0	0	0	0	111.1	L182 L185 T186 A229 R230 N231 S237 L238 I239 L429	L182-V233 HydrophobicContact CD2-CG1 4.32Å; L185-V233 HydrophobicContact CB-CG2 3.73Å; L185-V233 HydrophobicContact CD1-CG2 3.84Å; L185-V233 HydrophobicContact CG-CG2 4.29Å; T186-V233 HydrophobicContact CG2-CG1 4.23Å; A229-V233 PolarHBondContact O-N 3.43Å; R230-V233 WeakPolarHBondContact O-CB 3.4Å; R230-V233 PolarHBondContact O-N 3.12Å; R230-V233 VanDerWaalsContact O-N 3.1Å; N231-V233 VanDerWaalsContact C-N 3.3Å; N231-V233 PolarHBondContact O-N 3.26Å; V233-S237 PolarHBondContact O-N 2.98Å; V233-L238 HydrophobicContact CG1-CB 4.15Å; V233-L238 HydrophobicContact CG2-CD1 4.43Å; V233-L238 PolarHBondContact O-N 3.36Å; V233-L238 VanDerWaalsContact O-N 3.08Å; V233-I239 HydrophobicContact CG1-CD1 4.06Å; V233-I239 HydrophobicContact CG1-CG1 3.9Å; V233-L429 HydrophobicContact CG2-CD1 3.72Å
234	Y	96.5	Very high	93.3	Very high	106 Å²	106	51.5 Å²	51.5	42%	0.416	25%	0.251	S	S	.	.	H	α-helix	trans	-76.8	-40	179.5	-58.5	-63.9	0	0	0	112.2	R230 N231 M232 L236 S237 I239	R230-Y234 HydrophobicContact CG-CD2 4.5Å; R230-Y234 HydrophobicContact CG-CE2 3.83Å; R230-Y234 WeakPolarHBondContact O-CD2 3.3Å; N231-Y234 PolarHBondContact O-N 3.18Å; M232-Y234 VanDerWaalsContact C-N 3.28Å; M232-Y234 PolarHBondContact O-N 3.11Å; Y234-L236 VanDerWaalsContact C-N 3.27Å; Y234-L236 PolarHBondContact O-N 2.93Å; Y234-S237 PolarHBondContact O-N 3.38Å; Y234-S237 VanDerWaalsContact O-N 3.11Å; Y234-I239 HydrophobicContact CE1-CD1 4.09Å
235	E	96.7	Very high	94.4	Very high	132 Å²	132	50.5 Å²	50.5	62%	0.617	24%	0.244	S	C	*	.	H	α-helix	trans	-58	-41.8	175.7	-174.6	-177.2	157.3	0	0	111.3	N231 M232 S237	N231-E235 PolarHBondContact O-N 3.38Å; M232-E235 PolarHBondContact O-N 3.39Å; E235-S237 VanDerWaalsContact C-N 3.32Å
236	L	96.9	Very high	95	Very high	18 Å²	18	50 Å²	50	9%	0.094	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1	179.5	-63.3	179.3	0	0	0	113.7	M232 Y234 L238 A445 M449	M232-L236 HydrophobicContact CG-CD1 3.69Å; M232-L236 HydrophobicContact CG-CG 4.13Å; M232-L236 VanDerWaalsContact O-CB 3.28Å; M232-L236 WeakPolarHBondContact O-CB 3.33Å; M232-L236 VanDerWaalsContact O-CG 3.26Å; M232-L236 WeakPolarHBondContact O-CG 3.34Å; M232-L236 PolarHBondContact O-N 3.28Å; M232-L236 HydrophobicContact SD-CD1 4.08Å; M232-L236 HydrophobicContact SD-CG 4.09Å; Y234-L236 VanDerWaalsContact C-N 3.27Å; Y234-L236 PolarHBondContact O-N 2.93Å; L236-L238 HydrophobicContact CB-CD2 4.35Å; L236-L238 HydrophobicContact CB-CG 3.95Å; L236-L238 PolarHBondContact O-N 2.9Å; L236-A445 HydrophobicContact CD1-CB 4.38Å; L236-M449 HydrophobicContact CB-CG 4.11Å; L236-M449 HydrophobicContact CD1-CB 4.35Å; L236-M449 HydrophobicContact CD1-CG 3.87Å; L236-M449 HydrophobicContact CD2-CB 3.87Å; L236-M449 HydrophobicContact CD2-CG 4.19Å; L236-M449 HydrophobicContact CG-CB 4.5Å; L236-M449 HydrophobicContact CG-CG 4.27Å; L236-M449 WeakPolarHBondContact O-CE 3.34Å
237	S	97.3	Very high	95.6	Very high	48 Å²	48	53.9 Å²	53.9	34%	0.336	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	35.1	-176.9	-52.6	0	0	0	0	113.7	V233 Y234 E235 I239 E240 E241	V233-S237 PolarHBondContact O-N 2.98Å; Y234-S237 PolarHBondContact O-N 3.38Å; Y234-S237 VanDerWaalsContact O-N 3.11Å; E235-S237 VanDerWaalsContact C-N 3.32Å; S237-I239 VanDerWaalsContact C-N 3.28Å; S237-I239 PolarHBondContact O-N 3.12Å; S237-E240 WeakPolarHBondContact CA-OE2 3.44Å; S237-E240 PolarHBondContact O-N 2.58Å; S237-E241 WeakPolarHBondContact O-CB 3.45Å; S237-E241 WeakPolarHBondContact O-CG 3.28Å; S237-E241 PolarHBondContact O-N 2.86Å
238	L	97.1	Very high	95.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-35.5	-171.5	-74.9	179.3	0	0	0	112.6	L182 V233 L236 Y242 L422 L429 M449	L182-L238 HydrophobicContact CD2-CB 4.19Å; V233-L238 HydrophobicContact CG1-CB 4.15Å; V233-L238 HydrophobicContact CG2-CD1 4.43Å; V233-L238 PolarHBondContact O-N 3.36Å; V233-L238 VanDerWaalsContact O-N 3.08Å; L236-L238 HydrophobicContact CB-CD2 4.35Å; L236-L238 HydrophobicContact CB-CG 3.95Å; L236-L238 PolarHBondContact O-N 2.9Å; L238-Y242 WeakPolarHBondContact O-CB 3.45Å; L238-Y242 PolarHBondContact O-N 3.29Å; L238-L422 HydrophobicContact CD2-CD2 3.9Å; L238-L429 HydrophobicContact CD1-CD1 3.64Å; L238-M449 HydrophobicContact CD2-CE 4.04Å; L238-M449 HydrophobicContact CD2-CG 3.9Å; L238-M449 HydrophobicContact CD2-SD 3.47Å; L238-M449 WeakPolarHBondContact CD2-SD 3.48Å
239	I	96.7	Very high	96.2	Very high	45 Å²	45	45.5 Å²	45.5	23%	0.231	22%	0.215	C	C	.	.	H	α-helix	trans	-72.1	-47.2	-176.3	-59.2	171.6	0	0	0	110.1	L182 T186 V233 Y234 S237 Y242 N243	L182-I239 HydrophobicContact CD2-CG1 4.36Å; T186-I239 HydrophobicContact CG2-CD1 3.85Å; V233-I239 HydrophobicContact CG1-CD1 4.06Å; V233-I239 HydrophobicContact CG1-CG1 3.9Å; Y234-I239 HydrophobicContact CE1-CD1 4.09Å; S237-I239 VanDerWaalsContact C-N 3.28Å; S237-I239 PolarHBondContact O-N 3.12Å; I239-Y242 PolarHBondContact O-N 3.23Å; I239-N243 WeakPolarHBondContact O-CB 3.27Å; I239-N243 VanDerWaalsContact O-CG 3.25Å; I239-N243 PolarHBondContact O-N 2.85Å; I239-N243 PolarHBondContact O-ND2 3.32Å
240	E	97.4	Very high	96.3	Very high	110 Å²	110	50.1 Å²	50.1	51%	0.514	24%	0.237	S	C	.	.	H	α-helix	trans	-62.5	-46.9	179.1	-65.1	77.3	-172.2	0	0	110.7	S237 N243 W244	S237-E240 WeakPolarHBondContact CA-OE2 3.44Å; S237-E240 PolarHBondContact O-N 2.58Å; E240-N243 PolarHBondContact O-N 3.4Å; E240-W244 PolarHBondContact O-N 3.09Å
241	E	97.9	Very high	96.4	Very high	31 Å²	31	51.4 Å²	51.4	15%	0.145	25%	0.252	C	S	.	.	H	α-helix	trans	-69.4	-36.5	-179.6	-69	-65	-175.6	0	0	112.7	S237 I245 L422 Y452 K456	S237-E241 WeakPolarHBondContact O-CB 3.45Å; S237-E241 WeakPolarHBondContact O-CG 3.28Å; S237-E241 PolarHBondContact O-N 2.86Å; E241-I245 WeakPolarHBondContact O-CG2 3.32Å; E241-I245 PolarHBondContact O-N 3.38Å; E241-L422 HydrophobicContact CB-CD1 4.31Å; E241-L422 HydrophobicContact CB-CD2 3.74Å; E241-Y452 HydrophobicContact CB-CE1 4.29Å; E241-Y452 HydrophobicContact CG-CE1 4Å; E241-Y452 PolarHBondContact OE2-OH 3.34Å; E241-K456 IonicContact OE1-NZ 2.62Å; E241-K456 PolarHBondContact OE1-NZ 3.48Å; E241-K456 IonicContact OE2-NZ 2.72Å; E241-K456 PolarHBondContact OE2-NZ 3.33Å
242	Y	97.7	Very high	96.3	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-44.8	172.3	171.1	-121.4	0	0	0	112.2	I175 F178 D179 L182 L238 I239 W244 I245 K246	I175-Y242 HydrophobicContact CD1-CE2 4.36Å; I175-Y242 WeakPolarHBondContact CG2-OH 3.33Å; I175-Y242 PolarHBondContact O-OH 2.79Å; F178-Y242 HydrophobicContact CB-CE2 4.15Å; F178-Y242 AromaticContact CD1-CD2 3.34Å; F178-Y242 HydrophobicContact CD1-CD2 3.34Å; F178-Y242 AromaticContact CD1-CE2 3.34Å; F178-Y242 HydrophobicContact CD1-CE2 3.34Å; F178-Y242 HydrophobicContact CD1-CG 4.13Å; F178-Y242 AromaticContact CE1-CD2 3.23Å; F178-Y242 HydrophobicContact CE1-CD2 3.23Å; F178-Y242 AromaticContact CE1-CE2 3.79Å; F178-Y242 HydrophobicContact CE1-CE2 3.79Å; F178-Y242 AromaticContact CE1-CG 3.83Å; F178-Y242 HydrophobicContact CE1-CG 3.83Å; F178-Y242 HydrophobicContact CE2-CD2 4.45Å; F178-Y242 HydrophobicContact CE2-CG 4.34Å; F178-Y242 HydrophobicContact CG-CD2 4.02Å; F178-Y242 AromaticContact CG-CE2 3.83Å; F178-Y242 HydrophobicContact CG-CE2 3.83Å; F178-Y242 AromaticContact CZ-CD2 3.83Å; F178-Y242 HydrophobicContact CZ-CD2 3.83Å; F178-Y242 AromaticContact CZ-CG 3.92Å; F178-Y242 HydrophobicContact CZ-CG 3.92Å; D179-Y242 VanDerWaalsContact CG-OH 3.29Å; D179-Y242 WeakPolarHBondContact OD1-CE1 3.33Å; D179-Y242 VanDerWaalsContact OD1-CZ 3.28Å; D179-Y242 PolarHBondContact OD1-OH 3.06Å; L182-Y242 HydrophobicContact CD1-CD1 3.36Å; L182-Y242 HydrophobicContact CD1-CE1 3.94Å; L182-Y242 HydrophobicContact CD1-CG 3.97Å; L238-Y242 WeakPolarHBondContact O-CB 3.45Å; L238-Y242 PolarHBondContact O-N 3.29Å; I239-Y242 PolarHBondContact O-N 3.23Å; Y242-W244 PolarHBondContact O-N 3.27Å; Y242-I245 HydrophobicContact CD2-CG2 4.48Å; Y242-I245 WeakPolarHBondContact O-CG2 3.4Å; Y242-I245 PolarHBondContact O-N 3Å; Y242-K246 HydrophobicContact CE1-CD 4.28Å; Y242-K246 HydrophobicContact CE2-CB 4.36Å; Y242-K246 HydrophobicContact CE2-CD 4.25Å; Y242-K246 WeakPolarHBondContact O-CB 3.43Å; Y242-K246 PolarHBondContact O-N 3.45Å; Y242-K246 PolarHBondContact OH-NZ 3.1Å
243	N	97.1	Very high	96.1	Very high	88 Å²	88	53.1 Å²	53.1	47%	0.471	26%	0.256	S	S	.	.	H	α-helix	trans	-62.7	-42.8	177.3	-73.7	-36.8	0	0	0	111.7	I239 E240 K246 E247	I239-N243 WeakPolarHBondContact O-CB 3.27Å; I239-N243 VanDerWaalsContact O-CG 3.25Å; I239-N243 PolarHBondContact O-N 2.85Å; I239-N243 PolarHBondContact O-ND2 3.32Å; E240-N243 PolarHBondContact O-N 3.4Å; N243-K246 PolarHBondContact O-N 2.76Å; N243-E247 PolarHBondContact O-N 2.98Å
244	W	97.6	Very high	95.8	Very high	44 Å²	44	55 Å²	55	17%	0.167	27%	0.272	C	S	.	.	H	α-helix	trans	-59.8	-51.5	176.3	169.4	82.7	0	0	0	111.6	E240 Y242 K246 E247 K248 Y415 L418 Y452 K456 L459 L464	E240-W244 PolarHBondContact O-N 3.09Å; Y242-W244 PolarHBondContact O-N 3.27Å; W244-K246 VanDerWaalsContact C-N 3.34Å; W244-K246 PolarHBondContact O-N 3.44Å; W244-E247 PolarHBondContact O-N 3.1Å; W244-K248 HydrophobicContact CZ2-CG 4.28Å; W244-K248 WeakPolarHBondContact O-CG 3.47Å; W244-K248 PolarHBondContact O-N 2.79Å; W244-K248 VanDerWaalsContact O-N 3.12Å; W244-Y415 HydrophobicContact CH2-CE1 4.01Å; W244-L418 HydrophobicContact CH2-CD1 4.39Å; W244-L418 HydrophobicContact CZ3-CD1 4.39Å; W244-Y452 WeakPolarHBondContact CZ3-OH 3.22Å; W244-K456 HydrophobicContact CH2-CD 4.26Å; W244-K456 HydrophobicContact CH2-CG 4.36Å; W244-K456 HydrophobicContact CZ3-CD 4.2Å; W244-L459 HydrophobicContact CH2-CD1 4.21Å; W244-L464 WeakPolarHBondContact CZ2-OXT 3.41Å; W244-L464 PolarHBondContact NE1-OXT 2.88Å
245	I	96.9	Very high	95.5	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68	-37.2	-177.9	-161.3	162.1	0	0	0	111.4	E241 Y242 E247 K248 F249 Y415 L418 L419 L422	E241-I245 WeakPolarHBondContact O-CG2 3.32Å; E241-I245 PolarHBondContact O-N 3.38Å; Y242-I245 HydrophobicContact CD2-CG2 4.48Å; Y242-I245 WeakPolarHBondContact O-CG2 3.4Å; Y242-I245 PolarHBondContact O-N 3Å; I245-E247 VanDerWaalsContact C-N 3.32Å; I245-E247 PolarHBondContact O-N 3.36Å; I245-K248 WeakPolarHBondContact O-CB 3.42Å; I245-K248 PolarHBondContact O-N 3.05Å; I245-K248 VanDerWaalsContact O-N 3.09Å; I245-F249 HydrophobicContact CD1-CE2 4.08Å; I245-F249 HydrophobicContact CG1-CD2 3.81Å; I245-F249 HydrophobicContact CG1-CE2 3.72Å; I245-F249 WeakPolarHBondContact O-CD2 3.23Å; I245-F249 PolarHBondContact O-N 3.33Å; I245-Y415 HydrophobicContact CD1-CD1 4.34Å; I245-Y415 HydrophobicContact CG1-CD1 4.15Å; I245-L418 HydrophobicContact CD1-CB 3.51Å; I245-L419 HydrophobicContact CD1-CB 3.84Å; I245-L419 HydrophobicContact CG2-CD1 3.93Å; I245-L422 HydrophobicContact CB-CD1 4.27Å; I245-L422 HydrophobicContact CD1-CD1 4.29Å; I245-L422 HydrophobicContact CG2-CD1 3.61Å
246	K	95.7	Very high	95.3	Very high	40 Å²	40	55.8 Å²	55.8	17%	0.174	28%	0.284	C	S	.	.	H	α-helix	trans	-58.9	-44.4	175.9	-177.2	173.5	-176.5	170.9	0	111.1	I175 D179 Y242 N243 W244 K248 F249 E250	I175-K246 HydrophobicContact CG2-CD 4.4Å; D179-K246 IonicContact OD1-NZ 3.54Å; D179-K246 PolarHBondContact OD1-NZ 3.43Å; D179-K246 IonicContact OD2-NZ 3.39Å; D179-K246 PolarHBondContact OD2-NZ 2.98Å; Y242-K246 HydrophobicContact CE1-CD 4.28Å; Y242-K246 HydrophobicContact CE2-CB 4.36Å; Y242-K246 HydrophobicContact CE2-CD 4.25Å; Y242-K246 WeakPolarHBondContact O-CB 3.43Å; Y242-K246 PolarHBondContact O-N 3.45Å; Y242-K246 PolarHBondContact OH-NZ 3.1Å; N243-K246 PolarHBondContact O-N 2.76Å; W244-K246 VanDerWaalsContact C-N 3.34Å; W244-K246 PolarHBondContact O-N 3.44Å; K246-K248 VanDerWaalsContact C-N 3.34Å; K246-K248 PolarHBondContact O-N 3.02Å; K246-F249 PolarHBondContact O-N 3.14Å; K246-E250 WeakPolarHBondContact CE-OE1 3.37Å; K246-E250 HydrophobicContact CG-CG 4.23Å; K246-E250 WeakPolarHBondContact O-CB 3.03Å; K246-E250 WeakPolarHBondContact O-CG 3.5Å; K246-E250 PolarHBondContact O-N 3.37Å
247	E	95.9	Very high	95.2	Very high	104 Å²	104	55.1 Å²	55.1	49%	0.486	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-40.5	173.8	-173.7	-171.6	159.3	0	0	112.3	N243 W244 I245 F249 V251 H252	N243-E247 PolarHBondContact O-N 2.98Å; W244-E247 PolarHBondContact O-N 3.1Å; I245-E247 VanDerWaalsContact C-N 3.32Å; I245-E247 PolarHBondContact O-N 3.36Å; E247-F249 PolarHBondContact O-N 2.91Å; E247-V251 HydrophobicContact CG-CB 4.41Å; E247-V251 HydrophobicContact CG-CG2 4.12Å; E247-V251 VanDerWaalsContact O-CB 3.26Å; E247-V251 WeakPolarHBondContact O-CB 3.48Å; E247-V251 PolarHBondContact O-N 2.77Å; E247-H252 PolarHBondContact O-ND1 3.06Å; E247-H252 IonicContact OE1-CE1 3.45Å
248	K	95.8	Very high	95.1	Very high	21 Å²	21	55.1 Å²	55.1	9%	0.091	28%	0.279	C	S	.	.	I	π-helix	trans	-60.4	-47.4	176	-64	-69.5	-172.9	173.3	0	110.9	W244 I245 K246 H252 Y253 Y415 H463 L464	W244-K248 HydrophobicContact CZ2-CG 4.28Å; W244-K248 WeakPolarHBondContact O-CG 3.47Å; W244-K248 PolarHBondContact O-N 2.79Å; W244-K248 VanDerWaalsContact O-N 3.12Å; I245-K248 WeakPolarHBondContact O-CB 3.42Å; I245-K248 PolarHBondContact O-N 3.05Å; I245-K248 VanDerWaalsContact O-N 3.09Å; K246-K248 VanDerWaalsContact C-N 3.34Å; K246-K248 PolarHBondContact O-N 3.02Å; K248-H252 HydrophobicContact CD-CB 4.44Å; K248-H252 WeakPolarHBondContact O-CA 3.26Å; K248-H252 WeakPolarHBondContact O-CB 3.5Å; K248-H252 PolarHBondContact O-N 3.26Å; K248-H252 VanDerWaalsContact O-N 3.08Å; K248-Y253 HydrophobicContact CB-CD2 4.28Å; K248-Y253 HydrophobicContact CB-CE2 4.46Å; K248-Y253 WeakPolarHBondContact O-CD2 3.49Å; K248-Y253 PolarHBondContact O-N 3.24Å; K248-Y415 HydrophobicContact CB-CD1 4.41Å; K248-Y415 HydrophobicContact CB-CE1 3.69Å; K248-Y415 WeakPolarHBondContact CD-OH 3.41Å; K248-Y415 HydrophobicContact CG-CE1 3.84Å; K248-H463 PolarHBondContact NZ-O 2.86Å; K248-L464 PolarHBondContact NZ-O 3.29Å; K248-L464 PolarHBondContact NZ-OXT 3.08Å
249	F	95.6	Very high	95.1	Very high	3 Å²	3	58.5 Å²	58.5	1%	0.013	30%	0.296	C	S	.	.	I	π-helix	trans	-68.1	-43.7	178.7	-85.6	-96.5	0	0	0	113.6	I245 K246 E247 A254 F257 Y297 A299 Y415 L419	I245-F249 HydrophobicContact CD1-CE2 4.08Å; I245-F249 HydrophobicContact CG1-CD2 3.81Å; I245-F249 HydrophobicContact CG1-CE2 3.72Å; I245-F249 WeakPolarHBondContact O-CD2 3.23Å; I245-F249 PolarHBondContact O-N 3.33Å; K246-F249 PolarHBondContact O-N 3.14Å; E247-F249 PolarHBondContact O-N 2.91Å; F249-A254 WeakPolarHBondContact O-CA 3.48Å; F249-A254 PolarHBondContact O-N 2.94Å; F249-F257 AromaticContact CD1-CD2 3.79Å; F249-F257 HydrophobicContact CD1-CD2 3.79Å; F249-F257 HydrophobicContact CD1-CE2 4.41Å; F249-F257 AromaticContact CE1-CD2 3.69Å; F249-F257 HydrophobicContact CE1-CD2 3.69Å; F249-F257 HydrophobicContact CE1-CE2 4.16Å; F249-F257 HydrophobicContact CG-CD2 4.48Å; F249-F257 HydrophobicContact CZ-CD2 4.3Å; F249-F257 HydrophobicContact CZ-CE2 4.32Å; F249-Y297 HydrophobicContact CB-CE2 4.01Å; F249-Y297 AromaticContact CD1-CD1 3.82Å; F249-Y297 HydrophobicContact CD1-CD1 3.82Å; F249-Y297 AromaticContact CD1-CD2 3.44Å; F249-Y297 HydrophobicContact CD1-CD2 3.44Å; F249-Y297 VanDerWaalsContact CD1-CD2 3.44Å; F249-Y297 HydrophobicContact CD1-CE1 4.03Å; F249-Y297 AromaticContact CD1-CE2 3.69Å; F249-Y297 HydrophobicContact CD1-CE2 3.69Å; F249-Y297 AromaticContact CD1-CG 3.49Å; F249-Y297 HydrophobicContact CD1-CG 3.49Å; F249-Y297 VanDerWaalsContact CD1-CG 3.49Å; F249-Y297 AromaticContact CD1-CZ 3.97Å; F249-Y297 HydrophobicContact CE1-CD1 4.36Å; F249-Y297 AromaticContact CE1-CD2 3.93Å; F249-Y297 HydrophobicContact CE1-CD2 3.93Å; F249-Y297 AromaticContact CE1-CG 3.78Å; F249-Y297 HydrophobicContact CE1-CG 3.78Å; F249-Y297 HydrophobicContact CG-CD2 4.35Å; F249-Y297 HydrophobicContact CG-CE2 4.23Å; F249-Y297 PolarHBondContact O-OH 3.15Å; F249-A299 HydrophobicContact CE1-CB 4.03Å; F249-A299 HydrophobicContact CZ-CB 4.32Å; F249-Y415 HydrophobicContact CE2-CD1 4.06Å; F249-Y415 HydrophobicContact CE2-CG 4.38Å; F249-L419 HydrophobicContact CD2-CD2 4.39Å; F249-L419 HydrophobicContact CE1-CD2 4.28Å; F249-L419 HydrophobicContact CE2-CB 4.14Å; F249-L419 HydrophobicContact CE2-CD2 4.02Å; F249-L419 HydrophobicContact CZ-CB 4.3Å; F249-L419 HydrophobicContact CZ-CD2 3.95Å
250	E	94.1	Very high	95	Very high	98 Å²	98	57.5 Å²	57.5	46%	0.458	29%	0.292	S	S	.	.	I	π-helix	trans	-83.6	-21.5	-173.4	-68.8	-177.4	168.7	0	0	113.9	K246 A254	K246-E250 WeakPolarHBondContact CE-OE1 3.37Å; K246-E250 HydrophobicContact CG-CG 4.23Å; K246-E250 WeakPolarHBondContact O-CB 3.03Å; K246-E250 WeakPolarHBondContact O-CG 3.5Å; K246-E250 PolarHBondContact O-N 3.37Å; E250-A254 WeakPolarHBondContact O-CB 3.33Å
251	V	94	Very high	94.9	Very high	98 Å²	98	52.3 Å²	52.3	59%	0.594	27%	0.268	S	S	*	.	I	π-helix	trans	-118.3	-54.6	-176.5	-175.2	0	0	0	0	111.9	E247	E247-V251 HydrophobicContact CG-CB 4.41Å; E247-V251 HydrophobicContact CG-CG2 4.12Å; E247-V251 VanDerWaalsContact O-CB 3.26Å; E247-V251 WeakPolarHBondContact O-CB 3.48Å; E247-V251 PolarHBondContact O-N 2.77Å
252	H	92.5	Very high	94.8	Very high	99 Å²	99	50.8 Å²	50.8	46%	0.458	26%	0.261	S	S	.	.	I	π-helix	trans	-80.3	-34.9	-169.6	-63.8	74.1	0	0	0	112.6	E247 K248	E247-H252 PolarHBondContact O-ND1 3.06Å; E247-H252 IonicContact OE1-CE1 3.45Å; K248-H252 HydrophobicContact CD-CB 4.44Å; K248-H252 WeakPolarHBondContact O-CA 3.26Å; K248-H252 WeakPolarHBondContact O-CB 3.5Å; K248-H252 PolarHBondContact O-N 3.26Å; K248-H252 VanDerWaalsContact O-N 3.08Å
253	Y	92.8	Very high	94.7	Very high	27 Å²	27	50.7 Å²	50.7	11%	0.106	26%	0.261	C	S	.	.	S	Bend	trans	-116.6	13.8	-176.7	-64.1	-76.7	0	0	0	113.8	K248 E255 V256 F257 I411 Y415 H463	K248-Y253 HydrophobicContact CB-CD2 4.28Å; K248-Y253 HydrophobicContact CB-CE2 4.46Å; K248-Y253 WeakPolarHBondContact O-CD2 3.49Å; K248-Y253 PolarHBondContact O-N 3.24Å; Y253-E255 PolarHBondContact O-N 2.73Å; Y253-V256 HydrophobicContact CD1-CB 4.02Å; Y253-V256 HydrophobicContact CD1-CG1 4.13Å; Y253-V256 HydrophobicContact CD1-CG2 4.34Å; Y253-V256 PolarHBondContact O-N 3.24Å; Y253-F257 VanDerWaalsContact CB-CD2 3.41Å; Y253-F257 HydrophobicContact CD1-CD1 4.25Å; Y253-F257 AromaticContact CD1-CE1 3.63Å; Y253-F257 HydrophobicContact CD1-CE1 3.63Å; Y253-F257 AromaticContact CD1-CE2 3.96Å; Y253-F257 HydrophobicContact CD1-CE2 3.96Å; Y253-F257 AromaticContact CD1-CZ 3.46Å; Y253-F257 HydrophobicContact CD1-CZ 3.46Å; Y253-F257 VanDerWaalsContact CD1-CZ 3.46Å; Y253-F257 HydrophobicContact CD2-CD2 4.49Å; Y253-F257 AromaticContact CD2-CE2 3.74Å; Y253-F257 HydrophobicContact CD2-CE2 3.74Å; Y253-F257 AromaticContact CD2-CZ 3.92Å; Y253-F257 HydrophobicContact CD2-CZ 3.92Å; Y253-F257 HydrophobicContact CE1-CE1 4.16Å; Y253-F257 AromaticContact CE1-CZ 3.87Å; Y253-F257 HydrophobicContact CE1-CZ 3.87Å; Y253-F257 HydrophobicContact CE2-CE2 4.45Å; Y253-F257 HydrophobicContact CE2-CZ 4.3Å; Y253-F257 HydrophobicContact CG-CD1 4.43Å; Y253-F257 AromaticContact CG-CD2 3.94Å; Y253-F257 HydrophobicContact CG-CD2 3.94Å; Y253-F257 AromaticContact CG-CE1 4Å; Y253-F257 HydrophobicContact CG-CE1 4Å; Y253-F257 AromaticContact CG-CE2 3.46Å; Y253-F257 HydrophobicContact CG-CE2 3.46Å; Y253-F257 VanDerWaalsContact CG-CE2 3.46Å; Y253-F257 HydrophobicContact CG-CG 4.4Å; Y253-F257 AromaticContact CG-CZ 3.49Å; Y253-F257 HydrophobicContact CG-CZ 3.49Å; Y253-F257 VanDerWaalsContact CG-CZ 3.49Å; Y253-F257 PolarHBondContact O-N 3.48Å; Y253-I411 HydrophobicContact CE1-CG2 4.22Å; Y253-I411 WeakPolarHBondContact OH-CG2 3.45Å; Y253-Y415 HydrophobicContact CD2-CE2 4.32Å; Y253-Y415 AromaticContact CE2-CD2 3.98Å; Y253-Y415 HydrophobicContact CE2-CD2 3.98Å; Y253-Y415 HydrophobicContact CE2-CE1 4.39Å; Y253-Y415 AromaticContact CE2-CE2 3.39Å; Y253-Y415 HydrophobicContact CE2-CE2 3.39Å; Y253-Y415 AromaticContact CE2-CZ 3.61Å; Y253-Y415 AromaticContact CZ-CE2 3.66Å; Y253-Y415 WeakPolarHBondContact OH-CE2 3.17Å; Y253-H463 PolarHBondContact OH-CE1 3.01Å; Y253-H463 PolarHBondContact OH-ND1 3.01Å
254	A	90.2	Very high	94.6	Very high	40 Å²	40	46.5 Å²	46.5	33%	0.331	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-38	-177.2	0	0	0	0	0	113.5	F249 E250	F249-A254 WeakPolarHBondContact O-CA 3.48Å; F249-A254 PolarHBondContact O-N 2.94Å; E250-A254 WeakPolarHBondContact O-CB 3.33Å
255	E	90.3	Very high	94.5	Very high	190 Å²	190	44.9 Å²	44.9	89%	0.888	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-0.7	179	-58.5	-61	152.6	0	0	113	Y253	Y253-E255 PolarHBondContact O-N 2.73Å
256	V	91.6	Very high	94.4	Very high	65 Å²	65	45 Å²	45	39%	0.394	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-44.6	-174.2	-177	0	0	0	0	111.3	Y253 P258 I408	Y253-V256 HydrophobicContact CD1-CB 4.02Å; Y253-V256 HydrophobicContact CD1-CG1 4.13Å; Y253-V256 HydrophobicContact CD1-CG2 4.34Å; Y253-V256 PolarHBondContact O-N 3.24Å; V256-P258 VanDerWaalsContact O-CD 3.27Å; V256-P258 WeakPolarHBondContact O-CD 3.44Å; V256-I408 HydrophobicContact CG1-CG2 4.18Å
257	F	94.4	Very high	94.4	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.018	23%	0.231	C	C	.	.	S	Bend	trans	-90	111	-177.6	-66	-14.3	0	0	0	110.9	F249 Y253 Y297 E412 Y415	F249-F257 AromaticContact CD1-CD2 3.79Å; F249-F257 HydrophobicContact CD1-CD2 3.79Å; F249-F257 HydrophobicContact CD1-CE2 4.41Å; F249-F257 AromaticContact CE1-CD2 3.69Å; F249-F257 HydrophobicContact CE1-CD2 3.69Å; F249-F257 HydrophobicContact CE1-CE2 4.16Å; F249-F257 HydrophobicContact CG-CD2 4.48Å; F249-F257 HydrophobicContact CZ-CD2 4.3Å; F249-F257 HydrophobicContact CZ-CE2 4.32Å; Y253-F257 VanDerWaalsContact CB-CD2 3.41Å; Y253-F257 HydrophobicContact CD1-CD1 4.25Å; Y253-F257 AromaticContact CD1-CE1 3.63Å; Y253-F257 HydrophobicContact CD1-CE1 3.63Å; Y253-F257 AromaticContact CD1-CE2 3.96Å; Y253-F257 HydrophobicContact CD1-CE2 3.96Å; Y253-F257 AromaticContact CD1-CZ 3.46Å; Y253-F257 HydrophobicContact CD1-CZ 3.46Å; Y253-F257 VanDerWaalsContact CD1-CZ 3.46Å; Y253-F257 HydrophobicContact CD2-CD2 4.49Å; Y253-F257 AromaticContact CD2-CE2 3.74Å; Y253-F257 HydrophobicContact CD2-CE2 3.74Å; Y253-F257 AromaticContact CD2-CZ 3.92Å; Y253-F257 HydrophobicContact CD2-CZ 3.92Å; Y253-F257 HydrophobicContact CE1-CE1 4.16Å; Y253-F257 AromaticContact CE1-CZ 3.87Å; Y253-F257 HydrophobicContact CE1-CZ 3.87Å; Y253-F257 HydrophobicContact CE2-CE2 4.45Å; Y253-F257 HydrophobicContact CE2-CZ 4.3Å; Y253-F257 HydrophobicContact CG-CD1 4.43Å; Y253-F257 AromaticContact CG-CD2 3.94Å; Y253-F257 HydrophobicContact CG-CD2 3.94Å; Y253-F257 AromaticContact CG-CE1 4Å; Y253-F257 HydrophobicContact CG-CE1 4Å; Y253-F257 AromaticContact CG-CE2 3.46Å; Y253-F257 HydrophobicContact CG-CE2 3.46Å; Y253-F257 VanDerWaalsContact CG-CE2 3.46Å; Y253-F257 HydrophobicContact CG-CG 4.4Å; Y253-F257 AromaticContact CG-CZ 3.49Å; Y253-F257 HydrophobicContact CG-CZ 3.49Å; Y253-F257 VanDerWaalsContact CG-CZ 3.49Å; Y253-F257 PolarHBondContact O-N 3.48Å; F257-Y297 HydrophobicContact CB-CD1 3.93Å; F257-E412 HydrophobicContact CD1-CB 3.96Å; F257-E412 HydrophobicContact CD1-CG 3.64Å; F257-E412 HydrophobicContact CE1-CB 3.53Å; F257-E412 HydrophobicContact CE1-CG 3.72Å; F257-E412 HydrophobicContact CG-CG 4.27Å; F257-E412 HydrophobicContact CZ-CB 4.17Å; F257-E412 HydrophobicContact CZ-CG 4.38Å; F257-Y415 HydrophobicContact CE2-CD2 4.2Å; F257-Y415 HydrophobicContact CE2-CG 4.08Å; F257-Y415 AromaticContact CZ-CD2 3.96Å; F257-Y415 HydrophobicContact CZ-CD2 3.96Å; F257-Y415 HydrophobicContact CZ-CG 4.27Å
258	P	95.5	Very high	94.4	Very high	48 Å²	48	39.5 Å²	39.5	31%	0.312	21%	0.208	S	C	.	.			trans	-66.1	140.2	-176.1	-22.8	36.4	0	0	0	112.6	V256 V260 Y297 R298	V256-P258 VanDerWaalsContact O-CD 3.27Å; V256-P258 WeakPolarHBondContact O-CD 3.44Å; P258-V260 HydrophobicContact CB-CG1 4.47Å; P258-Y297 WeakPolarHBondContact O-CA 3.41Å; P258-R298 PolarHBondContact O-N 3.31Å
259	I	96.4	Very high	94.2	Very high	71 Å²	71	41.5 Å²	41.5	36%	0.364	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.5	171.1	-59.8	154.2	0	0	0	108.8	K169 P171 Y295 N296 Y297	K169-I259 WeakPolarHBondContact O-CG2 3.34Å; P171-I259 HydrophobicContact CB-CG1 4.21Å; P171-I259 HydrophobicContact CB-CG2 4.35Å; P171-I259 HydrophobicContact CG-CD1 3.91Å; P171-I259 HydrophobicContact CG-CG1 4.08Å; I259-Y295 HydrophobicContact CG2-CD1 4.31Å; I259-N296 WeakPolarHBondContact CA-O 3.31Å; I259-Y297 HydrophobicContact CG1-CD1 4.08Å; I259-Y297 HydrophobicContact CG1-CE1 4.12Å
260	V	96.1	Very high	94.1	Very high	24 Å²	24	41.9 Å²	41.9	15%	0.145	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	171.6	-177.2	-60.9	0	0	0	0	109.8	H161 P258 C262 Y295 N296 R298	H161-V260 HydrophobicContact CB-CB 3.83Å; H161-V260 HydrophobicContact CB-CG1 4.26Å; H161-V260 HydrophobicContact CB-CG2 3.73Å; P258-V260 HydrophobicContact CB-CG1 4.47Å; V260-C262 VanDerWaalsContact CG2-SG 3.55Å; V260-C262 PolarHBondContact O-N 3.07Å; V260-Y295 VanDerWaalsContact O-CA 3.26Å; V260-Y295 WeakPolarHBondContact O-CA 3.25Å; V260-N296 PolarHBondContact N-O 2.8Å; V260-N296 PolarHBondContact O-N 3.41Å; V260-N296 VanDerWaalsContact O-O 3.06Å; V260-R298 HydrophobicContact CG1-CB 4.49Å; V260-R298 HydrophobicContact CG2-CB 3.54Å
261	F	94.7	Very high	94.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	105.1	173.1	-171.7	-106.5	0	0	0	109.5	F160 H161 L163 M165 F167 Y295	F160-F261 HydrophobicContact CD1-CD1 4.01Å; F160-F261 HydrophobicContact CD1-CE1 4.47Å; F160-F261 VanDerWaalsContact CD1-O 3.31Å; F160-F261 WeakPolarHBondContact CD1-O 3.43Å; F160-F261 AromaticContact CE1-CD1 3.41Å; F160-F261 HydrophobicContact CE1-CD1 3.41Å; F160-F261 VanDerWaalsContact CE1-CD1 3.41Å; F160-F261 AromaticContact CE1-CE1 3.49Å; F160-F261 HydrophobicContact CE1-CE1 3.49Å; F160-F261 VanDerWaalsContact CE1-CE1 3.49Å; F160-F261 HydrophobicContact CE1-CG 4.49Å; F160-F261 HydrophobicContact CE2-CE1 4.38Å; F160-F261 AromaticContact CZ-CD1 3.83Å; F160-F261 HydrophobicContact CZ-CD1 3.83Å; F160-F261 AromaticContact CZ-CE1 3.45Å; F160-F261 HydrophobicContact CZ-CE1 3.45Å; F160-F261 VanDerWaalsContact CZ-CE1 3.45Å; H161-F261 WeakPolarHBondContact CA-O 3.47Å; H161-F261 PolarHBondContact CD2-O 2.92Å; H161-F261 VanDerWaalsContact CD2-O 3.26Å; L163-F261 HydrophobicContact CB-CD1 4.14Å; L163-F261 HydrophobicContact CD1-CD1 4.17Å; L163-F261 HydrophobicContact CD1-CE1 4.48Å; M165-F261 HydrophobicContact CB-CD2 3.9Å; M165-F261 HydrophobicContact CB-CE2 3.88Å; M165-F261 HydrophobicContact CB-CG 4.31Å; M165-F261 HydrophobicContact CB-CZ 4.26Å; M165-F261 HydrophobicContact CE-CE1 4.42Å; M165-F261 HydrophobicContact CE-CZ 4.21Å; M165-F261 HydrophobicContact CG-CD1 3.73Å; M165-F261 HydrophobicContact CG-CD2 3.82Å; M165-F261 HydrophobicContact CG-CE1 3.7Å; M165-F261 HydrophobicContact CG-CE2 3.8Å; M165-F261 HydrophobicContact CG-CG 3.78Å; M165-F261 HydrophobicContact CG-CZ 3.74Å; F167-F261 AromaticContact CD2-CE2 3.84Å; F167-F261 HydrophobicContact CD2-CE2 3.84Å; F167-F261 HydrophobicContact CE2-CE2 4.18Å; F167-F261 HydrophobicContact CE2-CZ 4.41Å; F261-Y295 HydrophobicContact CB-CD1 4.44Å; F261-Y295 HydrophobicContact CB-CE1 4.06Å; F261-Y295 HydrophobicContact CB-CE2 4.37Å; F261-Y295 AromaticContact CD2-CD2 3.96Å; F261-Y295 HydrophobicContact CD2-CD2 3.96Å; F261-Y295 AromaticContact CD2-CE2 3.88Å; F261-Y295 HydrophobicContact CD2-CE2 3.88Å
262	C	95.9	Very high	94.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	152.3	-173.9	-61.7	0	0	0	0	111.8	V260 N264 S293 G294 N296 D301	V260-C262 VanDerWaalsContact CG2-SG 3.55Å; V260-C262 PolarHBondContact O-N 3.07Å; C262-N264 VanDerWaalsContact CB-OD1 3.24Å; C262-N264 WeakPolarHBondContact CB-OD1 3.36Å; C262-S293 VanDerWaalsContact O-CA 3.27Å; C262-S293 WeakPolarHBondContact O-CA 3.23Å; C262-G294 PolarHBondContact N-O 3.09Å; C262-G294 PolarHBondContact O-N 3.28Å; C262-G294 VanDerWaalsContact O-N 3.11Å; C262-N296 HydrophobicContact CB-CB 4.1Å; C262-D301 HydrophobicContact CB-CB 3.96Å
263	H	94.8	Very high	94.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.158	C	C	.	.			trans	-72.3	-41.5	169.1	-167.7	-83.6	0	0	0	111.2	F160 D265 F266 I288 D289 F290 Y292 S293 D301	F160-H263 HydrophobicContact CD1-CB 4.45Å; F160-H263 HydrophobicContact CE1-CB 4.22Å; H263-D265 PolarHBondContact CE1-O 2.85Å; H263-D265 VanDerWaalsContact CE1-O 3.26Å; H263-D265 PolarHBondContact ND1-N 3.36Å; H263-D265 PolarHBondContact ND1-O 3.28Å; H263-D265 PolarHBondContact O-N 3.13Å; H263-D265 VanDerWaalsContact O-N 3.13Å; H263-F266 HydrophobicContact CB-CB 4.32Å; H263-F266 HydrophobicContact CB-CD2 3.96Å; H263-F266 AromaticContact CG-CD2 3.88Å; H263-F266 PolarHBondContact ND1-N 3.35Å; H263-I288 PolarHBondContact CE1-O 3.32Å; H263-I288 PolarHBondContact NE2-O 3.49Å; H263-D289 PolarHBondContact CE1-O 3.38Å; H263-D289 VanDerWaalsContact CE1-O 3.3Å; H263-F290 AromaticContact CD2-CD1 3.54Å; H263-F290 AromaticContact CD2-CE1 3.68Å; H263-F290 AromaticContact NE2-CD1 3.58Å; H263-F290 AromaticContact NE2-CE1 3.76Å; H263-Y292 CarbonylContact O-C 3.42Å; H263-S293 PolarHBondContact O-N 2.97Å; H263-S293 PolarHBondContact O-OG 2.89Å; H263-D301 WeakPolarHBondContact CB-OD2 3.21Å; H263-D301 PolarHBondContact N-OD2 3.4Å
264	N	95.6	Very high	94.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	68.8	-14.7	-178.4	-59	-52.7	0	0	0	115.7	I174 C262 Y292 N296 F300 D301 N304	I174-N264 HydrophobicContact CD1-CB 4.03Å; I174-N264 HydrophobicContact CG1-CB 4.36Å; C262-N264 VanDerWaalsContact CB-OD1 3.24Å; C262-N264 WeakPolarHBondContact CB-OD1 3.36Å; N264-Y292 PolarHBondContact ND2-O 3.32Å; N264-N296 PolarHBondContact OD1-ND2 3.24Å; N264-F300 HydrophobicContact CB-CD1 4.17Å; N264-F300 HydrophobicContact CB-CE1 3.85Å; N264-F300 WeakPolarHBondContact OD1-CD1 2.79Å; N264-D301 WeakPolarHBondContact CA-OD1 3.22Å; N264-D301 PolarHBondContact N-OD1 2.88Å; N264-N304 PolarHBondContact O-ND2 3.22Å
265	D	95.2	Very high	94.3	Very high	10 Å²	10	29 Å²	29	5%	0.053	15%	0.152	C	C	.	.			trans	-134.5	51.4	174.2	-171.8	24.7	0	0	0	112.6	H263 Q267 N270 Y292 W424	H263-D265 PolarHBondContact CE1-O 2.85Å; H263-D265 VanDerWaalsContact CE1-O 3.26Å; H263-D265 PolarHBondContact ND1-N 3.36Å; H263-D265 PolarHBondContact ND1-O 3.28Å; H263-D265 PolarHBondContact O-N 3.13Å; H263-D265 VanDerWaalsContact O-N 3.13Å; D265-Q267 PolarHBondContact O-N 3.07Å; D265-Q267 PolarHBondContact OD1-NE2 2.76Å; D265-Q267 PolarHBondContact OD2-NE2 2.92Å; D265-N270 VanDerWaalsContact CG-ND2 3.34Å; D265-N270 PolarHBondContact O-ND2 2.93Å; D265-N270 PolarHBondContact OD2-ND2 2.98Å; D265-Y292 HydrophobicContact CB-CD2 3.83Å; D265-W424 HydrophobicContact CB-CH2 4.39Å; D265-W424 HydrophobicContact CB-CZ2 4.21Å
266	F	96.3	Very high	94.4	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.009	13%	0.129	C	C	.	.			trans	-79.5	57.5	-175.7	-154.7	-93.2	0	0	0	112.8	A153 H156 M157 H263 L271 P287 H305	A153-F266 HydrophobicContact CB-CE1 4.02Å; H156-F266 HydrophobicContact CB-CZ 4.23Å; M157-F266 HydrophobicContact CE-CB 3.98Å; M157-F266 HydrophobicContact CE-CD1 3.82Å; M157-F266 HydrophobicContact CE-CD2 4.49Å; M157-F266 HydrophobicContact CE-CE1 4.42Å; M157-F266 HydrophobicContact CE-CG 3.86Å; H263-F266 HydrophobicContact CB-CB 4.32Å; H263-F266 HydrophobicContact CB-CD2 3.96Å; H263-F266 AromaticContact CG-CD2 3.88Å; H263-F266 PolarHBondContact ND1-N 3.35Å; F266-L271 HydrophobicContact CD1-CD1 4.05Å; F266-L271 HydrophobicContact CD1-CD2 4.1Å; F266-L271 HydrophobicContact CD2-CD2 4.22Å; F266-L271 HydrophobicContact CE1-CD1 3.78Å; F266-L271 HydrophobicContact CE1-CD2 3.62Å; F266-L271 HydrophobicContact CE1-CG 4.31Å; F266-L271 HydrophobicContact CE2-CD2 3.76Å; F266-L271 HydrophobicContact CG-CD2 4.39Å; F266-L271 HydrophobicContact CZ-CD1 4.44Å; F266-L271 HydrophobicContact CZ-CD2 3.44Å; F266-L271 VanDerWaalsContact CZ-CD2 3.44Å; F266-P287 HydrophobicContact CE2-CB 3.83Å; F266-P287 HydrophobicContact CE2-CG 3.61Å; F266-P287 HydrophobicContact CZ-CG 3.95Å; F266-H305 AromaticContact CD1-ND1 3.58Å; F266-H305 PolarHBondContact O-ND1 3.46Å
267	Q	95.3	Very high	94.4	Very high	25 Å²	25	21.3 Å²	21.3	12%	0.117	12%	0.116	C	C	.	.			trans	-92.7	167	178.8	67.3	165.7	-80.9	0	0	113	D265 N269 N270 L271 E308	D265-Q267 PolarHBondContact O-N 3.07Å; D265-Q267 PolarHBondContact OD1-NE2 2.76Å; D265-Q267 PolarHBondContact OD2-NE2 2.92Å; Q267-N269 VanDerWaalsContact C-N 3.3Å; Q267-N269 HydrophobicContact CG-CB 4.43Å; Q267-N269 PolarHBondContact O-N 2.85Å; Q267-N269 PolarHBondContact OE1-ND2 3.08Å; Q267-N270 HydrophobicContact CG-CB 4.25Å; Q267-N270 PolarHBondContact O-N 3.03Å; Q267-L271 WeakPolarHBondContact O-CG 3.23Å; Q267-E308 HydrophobicContact CB-CB 4.18Å; Q267-E308 HydrophobicContact CB-CG 3.78Å
268	E	94.6	Very high	94.3	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.014	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-57	-36.7	-177.5	71.4	-78.3	-172.1	0	0	114.2	L141 T143 L146 N270 L271 Y313	L141-E268 HydrophobicContact CB-CB 4.03Å; L141-E268 PolarHBondContact N-O 3.27Å; L141-E268 WeakPolarHBondContact O-CG 3.44Å; T143-E268 PolarHBondContact OG1-OE1 3.39Å; T143-E268 VanDerWaalsContact OG1-OE1 3.07Å; L146-E268 HydrophobicContact CD1-CB 4.18Å; L146-E268 HydrophobicContact CD2-CB 3.9Å; L146-E268 HydrophobicContact CG-CB 4.08Å; E268-N270 PolarHBondContact O-N 2.93Å; E268-L271 PolarHBondContact O-N 3.3Å; E268-L271 VanDerWaalsContact O-N 3.14Å; E268-Y313 VanDerWaalsContact OE1-CD2 3.32Å; E268-Y313 WeakPolarHBondContact OE1-CD2 3.45Å
269	N	92.6	Very high	94.2	Very high	64 Å²	64	31.3 Å²	31.3	34%	0.342	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-68.1	-23.6	179.4	-68.4	-53.5	0	0	0	112.9	Q267	Q267-N269 VanDerWaalsContact C-N 3.3Å; Q267-N269 HydrophobicContact CG-CB 4.43Å; Q267-N269 PolarHBondContact O-N 2.85Å; Q267-N269 PolarHBondContact OE1-ND2 3.08Å
270	N	94.4	Very high	93.9	Very high	11 Å²	11	31.8 Å²	31.8	6%	0.059	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-94.9	7.7	178.4	-67	-20.1	0	0	0	112.3	D265 Q267 E268 P287 I288 D289	D265-N270 VanDerWaalsContact CG-ND2 3.34Å; D265-N270 PolarHBondContact O-ND2 2.93Å; D265-N270 PolarHBondContact OD2-ND2 2.98Å; Q267-N270 HydrophobicContact CG-CB 4.25Å; Q267-N270 PolarHBondContact O-N 3.03Å; E268-N270 PolarHBondContact O-N 2.93Å; N270-P287 CarbonylContact O-C 3.06Å; N270-P287 WeakPolarHBondContact O-CA 3.4Å; N270-I288 WeakPolarHBondContact O-CG1 3.5Å; N270-I288 PolarHBondContact O-N 3.49Å; N270-D289 WeakPolarHBondContact OD1-CB 3.29Å
271	L	94.4	Very high	93.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	101.7	178	-61.1	176.4	0	0	0	109.5	P140 L141 L146 I149 F266 Q267 E268 I285 P287	P140-L271 CarbonylContact C-O 3.59Å; P140-L271 WeakPolarHBondContact CA-O 3.27Å; L141-L271 HydrophobicContact CD1-CB 3.67Å; L141-L271 HydrophobicContact CD1-CD1 4.03Å; L141-L271 HydrophobicContact CG-CB 4.15Å; L141-L271 WeakPolarHBondContact CG-O 3.21Å; L141-L271 PolarHBondContact N-O 3.32Å; L146-L271 HydrophobicContact CD2-CD1 4.11Å; I149-L271 HydrophobicContact CD1-CD1 4.09Å; F266-L271 HydrophobicContact CD1-CD1 4.05Å; F266-L271 HydrophobicContact CD1-CD2 4.1Å; F266-L271 HydrophobicContact CD2-CD2 4.22Å; F266-L271 HydrophobicContact CE1-CD1 3.78Å; F266-L271 HydrophobicContact CE1-CD2 3.62Å; F266-L271 HydrophobicContact CE1-CG 4.31Å; F266-L271 HydrophobicContact CE2-CD2 3.76Å; F266-L271 HydrophobicContact CG-CD2 4.39Å; F266-L271 HydrophobicContact CZ-CD1 4.44Å; F266-L271 HydrophobicContact CZ-CD2 3.44Å; F266-L271 VanDerWaalsContact CZ-CD2 3.44Å; Q267-L271 WeakPolarHBondContact O-CG 3.23Å; E268-L271 PolarHBondContact O-N 3.3Å; E268-L271 VanDerWaalsContact O-N 3.14Å; L271-I285 HydrophobicContact CD2-CD1 4.41Å; L271-P287 HydrophobicContact CD2-CB 4.09Å; L271-P287 HydrophobicContact CD2-CG 3.99Å
272	L	93.5	Very high	93.4	Very high	21 Å²	21	41.9 Å²	41.9	11%	0.11	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126.4	177.8	-62.4	178.3	0	0	0	110.8	I136 S138 R139 L274 I285 L286 I288	I136-L272 HydrophobicContact CB-CD1 4.21Å; I136-L272 HydrophobicContact CD1-CD1 4.43Å; I136-L272 HydrophobicContact CG2-CD1 4.37Å; S138-L272 WeakPolarHBondContact OG-CD1 3.47Å; R139-L272 CarbonylContact O-C 3.48Å; R139-L272 WeakPolarHBondContact O-CA 3.32Å; L272-L274 HydrophobicContact CB-CD2 4.33Å; L272-I285 CarbonylContact O-C 3.48Å; L272-I285 WeakPolarHBondContact O-CA 3.35Å; L272-L286 HydrophobicContact CB-CB 4.33Å; L272-L286 PolarHBondContact N-O 3.08Å; L272-L286 PolarHBondContact O-N 3.34Å; L272-I288 HydrophobicContact CD1-CD1 3.95Å; L272-I288 HydrophobicContact CD1-CG1 4.44Å; L272-I288 HydrophobicContact CD1-CG2 3.67Å; L272-I288 HydrophobicContact CD2-CD1 3.94Å; L272-I288 HydrophobicContact CG-CD1 3.79Å; L272-I288 HydrophobicContact CG-CG1 4.14Å; L272-I288 HydrophobicContact CG-CG2 4.08Å
273	L	93.9	Very high	93.2	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	114.3	169.2	-175.7	65.6	0	0	0	109.8	S138 R139 L141 N275 P277 Y283	S138-L273 WeakPolarHBondContact CB-O 3.43Å; R139-L273 HydrophobicContact CG-CB 4.36Å; R139-L273 PolarHBondContact O-N 3.06Å; L141-L273 HydrophobicContact CD2-CB 3.96Å; L141-L273 HydrophobicContact CD2-CD1 4.26Å; L141-L273 HydrophobicContact CD2-CD2 4.42Å; L141-L273 HydrophobicContact CD2-CG 4.44Å; L273-N275 WeakPolarHBondContact CD1-OD1 3.43Å; L273-N275 VanDerWaalsContact CG-O 3.28Å; L273-N275 WeakPolarHBondContact CG-O 3.32Å; L273-P277 HydrophobicContact CD2-CG 4.16Å; L273-Y283 HydrophobicContact CD1-CD1 3.79Å
274	L	92.3	Very high	93	Very high	46 Å²	46	47 Å²	47	24%	0.241	23%	0.228	C	C	.	.			trans	-91.2	-5.8	-173.3	-60.2	-173.1	0	0	0	114.1	I136 L272 R284 L286 R357	I136-L274 HydrophobicContact CG2-CD2 3.72Å; L272-L274 HydrophobicContact CB-CD2 4.33Å; L274-R284 HydrophobicContact CB-CB 4.26Å; L274-R284 HydrophobicContact CB-CG 3.92Å; L274-R284 WeakPolarHBondContact CB-O 3.3Å; L274-R284 HydrophobicContact CD1-CG 4.04Å; L274-R284 HydrophobicContact CG-CG 4.41Å; L274-R284 PolarHBondContact N-O 3Å; L274-L286 HydrophobicContact CD1-CB 3.85Å; L274-L286 HydrophobicContact CD2-CB 3.99Å; L274-L286 HydrophobicContact CD2-CD2 4.31Å; L274-L286 HydrophobicContact CG-CB 3.98Å; L274-R357 WeakPolarHBondContact CD1-O 3.28Å
275	N	92.4	Very high	92.9	Very high	16 Å²	16	47 Å²	47	9%	0.086	23%	0.228	C	C	.	.	S	Bend	trans	-143.1	169	-174.8	76.2	-42.2	0	0	0	111.7	L273 P277 E280 F282 R284	L273-N275 WeakPolarHBondContact CD1-OD1 3.43Å; L273-N275 VanDerWaalsContact CG-O 3.28Å; L273-N275 WeakPolarHBondContact CG-O 3.32Å; N275-P277 WeakPolarHBondContact O-CD 3.13Å; N275-E280 WeakPolarHBondContact CB-OE1 3.2Å; N275-F282 WeakPolarHBondContact ND2-CE2 3.11Å; N275-F282 PolarHBondContact ND2-O 3.43Å; N275-R284 HydrophobicContact CB-CB 4.09Å; N275-R284 WeakPolarHBondContact OD1-CB 3.34Å; N275-R284 PolarHBondContact OD1-N 2.8Å
276	D	93	Very high	92.8	Very high	76 Å²	76	46.7 Å²	46.7	41%	0.406	23%	0.226	S	C	.	.			trans	-93.4	103.4	171.2	-173.6	-19.3	0	0	0	109.2	E278 V279 E280	D276-E278 PolarHBondContact O-N 3.4Å; D276-E278 VanDerWaalsContact OD1-CB 3.31Å; D276-E278 WeakPolarHBondContact OD1-CB 3.49Å; D276-E278 PolarHBondContact OD1-N 3.49Å; D276-V279 HydrophobicContact CB-CB 4.12Å; D276-V279 HydrophobicContact CB-CG2 4.07Å; D276-V279 PolarHBondContact O-N 3.11Å; D276-V279 VanDerWaalsContact O-N 3.11Å; D276-V279 PolarHBondContact OD1-N 2.83Å; D276-V279 WeakPolarHBondContact OD2-CG2 3.49Å; D276-E280 PolarHBondContact O-N 3.42Å
277	P	91.5	Very high	92.6	Very high	18 Å²	18	47 Å²	47	12%	0.117	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-20.3	-179.7	27.6	-35.7	0	0	0	112.7	L273 N275 V279 K281 F282 Y283	L273-P277 HydrophobicContact CD2-CG 4.16Å; N275-P277 WeakPolarHBondContact O-CD 3.13Å; P277-V279 VanDerWaalsContact C-N 3.32Å; P277-K281 VanDerWaalsContact O-CA 3.22Å; P277-K281 WeakPolarHBondContact O-CA 3.26Å; P277-K281 PolarHBondContact O-N 2.9Å; P277-F282 WeakPolarHBondContact CA-O 3.31Å; P277-Y283 HydrophobicContact CB-CD1 4.05Å; P277-Y283 HydrophobicContact CB-CD2 4.25Å; P277-Y283 HydrophobicContact CB-CE1 3.88Å; P277-Y283 HydrophobicContact CB-CE2 4.08Å; P277-Y283 HydrophobicContact CB-CG 4.22Å; P277-Y283 HydrophobicContact CG-CD1 4.09Å; P277-Y283 HydrophobicContact CG-CE1 3.69Å
278	E	91.6	Very high	92.4	Very high	154 Å²	154	46.9 Å²	46.9	72%	0.72	23%	0.229	S	C	*	.	H	α-helix	trans	-71	-32.5	174.3	-59.5	-168.2	163.7	0	0	111.5	D276 K281	D276-E278 PolarHBondContact O-N 3.4Å; D276-E278 VanDerWaalsContact OD1-CB 3.31Å; D276-E278 WeakPolarHBondContact OD1-CB 3.49Å; D276-E278 PolarHBondContact OD1-N 3.49Å; E278-K281 WeakPolarHBondContact O-CE 3.37Å; E278-K281 PolarHBondContact O-NZ 3.01Å
279	V	93.1	Very high	92.1	Very high	108 Å²	108	47.5 Å²	47.5	66%	0.655	23%	0.232	S	C	*	.	H	α-helix	trans	-86.2	-51.3	178	177.8	0	0	0	0	111.2	D276 P277	D276-V279 HydrophobicContact CB-CB 4.12Å; D276-V279 HydrophobicContact CB-CG2 4.07Å; D276-V279 PolarHBondContact O-N 3.11Å; D276-V279 VanDerWaalsContact O-N 3.11Å; D276-V279 PolarHBondContact OD1-N 2.83Å; D276-V279 WeakPolarHBondContact OD2-CG2 3.49Å; P277-V279 VanDerWaalsContact C-N 3.32Å
280	E	90.5	Very high	91.9	Very high	80 Å²	80	44.5 Å²	44.5	37%	0.374	22%	0.216	S	C	.	.	H	α-helix	trans	-87.7	-13.4	-171.1	-69.4	-178.4	-129.2	0	0	113.5	N275 D276 F282	N275-E280 WeakPolarHBondContact CB-OE1 3.2Å; D276-E280 PolarHBondContact O-N 3.42Å; E280-F282 HydrophobicContact CB-CD1 4.12Å; E280-F282 HydrophobicContact CB-CE1 3.73Å; E280-F282 HydrophobicContact CB-CZ 3.99Å; E280-F282 WeakPolarHBondContact O-CD1 3.18Å; E280-F282 WeakPolarHBondContact O-CE1 3.04Å; E280-F282 PolarHBondContact O-N 2.76Å; E280-F282 WeakPolarHBondContact OE2-CZ 3.5Å
281	K	90.2	Very high	91.4	Very high	171 Å²	171	44.4 Å²	44.4	74%	0.743	22%	0.215	S	C	*	.	S	Bend	trans	64	15.3	178.5	-52.1	-54.6	-173.3	-167.2	0	115.6	P277 E278	P277-K281 VanDerWaalsContact O-CA 3.22Å; P277-K281 WeakPolarHBondContact O-CA 3.26Å; P277-K281 PolarHBondContact O-N 2.9Å; E278-K281 WeakPolarHBondContact O-CE 3.37Å; E278-K281 PolarHBondContact O-NZ 3.01Å
282	F	89.8	Confident	91.1	Very high	65 Å²	65	44.9 Å²	44.9	29%	0.285	22%	0.217	S	C	.	.	S	Bend	trans	-143.9	161.8	170.8	62.4	-96.2	0	0	0	110.2	N275 P277 E280 R284 N362	N275-F282 WeakPolarHBondContact ND2-CE2 3.11Å; N275-F282 PolarHBondContact ND2-O 3.43Å; P277-F282 WeakPolarHBondContact CA-O 3.31Å; E280-F282 HydrophobicContact CB-CD1 4.12Å; E280-F282 HydrophobicContact CB-CE1 3.73Å; E280-F282 HydrophobicContact CB-CZ 3.99Å; E280-F282 WeakPolarHBondContact O-CD1 3.18Å; E280-F282 WeakPolarHBondContact O-CE1 3.04Å; E280-F282 PolarHBondContact O-N 2.76Å; E280-F282 WeakPolarHBondContact OE2-CZ 3.5Å; F282-R284 HydrophobicContact CE2-CB 4.22Å; F282-N362 VanDerWaalsContact CD2-ND2 3.29Å; F282-N362 WeakPolarHBondContact CD2-ND2 3.32Å
283	Y	91.6	Very high	91	Very high	49 Å²	49	44 Å²	44	19%	0.192	21%	0.212	C	C	.	.			trans	-98.4	127.6	175.5	-70.5	-98.1	0	0	0	110.4	L148 I149 L273 P277 N362	L148-Y283 HydrophobicContact CB-CE2 4.01Å; L148-Y283 WeakPolarHBondContact CD1-OH 3.22Å; I149-Y283 HydrophobicContact CG2-CD1 3.41Å; I149-Y283 VanDerWaalsContact CG2-CD1 3.41Å; I149-Y283 HydrophobicContact CG2-CD2 4.04Å; I149-Y283 HydrophobicContact CG2-CE1 4.01Å; I149-Y283 HydrophobicContact CG2-CG 3.44Å; I149-Y283 VanDerWaalsContact CG2-CG 3.44Å; L273-Y283 HydrophobicContact CD1-CD1 3.79Å; P277-Y283 HydrophobicContact CB-CD1 4.05Å; P277-Y283 HydrophobicContact CB-CD2 4.25Å; P277-Y283 HydrophobicContact CB-CE1 3.88Å; P277-Y283 HydrophobicContact CB-CE2 4.08Å; P277-Y283 HydrophobicContact CB-CG 4.22Å; P277-Y283 HydrophobicContact CG-CD1 4.09Å; P277-Y283 HydrophobicContact CG-CE1 3.69Å; Y283-N362 PolarHBondContact O-ND2 3.49Å
284	R	91.7	Very high	90.9	Very high	61 Å²	61	43.9 Å²	43.9	23%	0.23	21%	0.213	C	C	.	.			trans	-112.9	109.5	171	-175.4	-176	-79.1	152.8	4.7	108	L274 N275 F282 N358 N360	L274-R284 HydrophobicContact CB-CB 4.26Å; L274-R284 HydrophobicContact CB-CG 3.92Å; L274-R284 WeakPolarHBondContact CB-O 3.3Å; L274-R284 HydrophobicContact CD1-CG 4.04Å; L274-R284 HydrophobicContact CG-CG 4.41Å; L274-R284 PolarHBondContact N-O 3Å; N275-R284 HydrophobicContact CB-CB 4.09Å; N275-R284 WeakPolarHBondContact OD1-CB 3.34Å; N275-R284 PolarHBondContact OD1-N 2.8Å; F282-R284 HydrophobicContact CE2-CB 4.22Å; R284-N358 WeakPolarHBondContact CD-O 3.4Å; R284-N358 WeakPolarHBondContact CG-O 3.44Å; R284-N358 PolarHBondContact NE-O 2.79Å; R284-N360 PolarHBondContact NH2-OD1 3.38Å
285	I	93.1	Very high	90.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	156.8	-177.9	72.5	178.8	0	0	0	111.4	L141 I149 V152 H156 L271 L272	L141-I285 HydrophobicContact CD1-CG2 4.09Å; I149-I285 HydrophobicContact CD1-CD1 3.86Å; I149-I285 HydrophobicContact CG2-CG2 4.47Å; V152-I285 HydrophobicContact CG1-CD1 3.87Å; V152-I285 HydrophobicContact CG1-CG1 3.85Å; H156-I285 PolarHBondContact CE1-O 2.92Å; H156-I285 VanDerWaalsContact CE1-O 3.23Å; H156-I285 PolarHBondContact NE2-O 3.11Å; L271-I285 HydrophobicContact CD2-CD1 4.41Å; L272-I285 CarbonylContact O-C 3.48Å; L272-I285 WeakPolarHBondContact O-CA 3.35Å
286	L	92.3	Very high	91.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	111.8	171	178.7	67	0	0	0	109.6	I119 I136 L272 L274 I288 R357	I119-L286 WeakPolarHBondContact O-CD1 3.32Å; I136-L286 HydrophobicContact CD1-CD2 3.26Å; L272-L286 HydrophobicContact CB-CB 4.33Å; L272-L286 PolarHBondContact N-O 3.08Å; L272-L286 PolarHBondContact O-N 3.34Å; L274-L286 HydrophobicContact CD1-CB 3.85Å; L274-L286 HydrophobicContact CD2-CB 3.99Å; L274-L286 HydrophobicContact CD2-CD2 4.31Å; L274-L286 HydrophobicContact CG-CB 3.98Å; L286-I288 HydrophobicContact CD2-CG2 4.36Å; L286-I288 HydrophobicContact CG-CG2 4.22Å; L286-R357 HydrophobicContact CD1-CG 4.4Å
287	P	92.7	Very high	91.3	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.065	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	136.5	168.6	-21.3	33.8	0	0	0	111.4	H156 F266 N270 L271 F290	H156-P287 HydrophobicContact CB-CG 4.38Å; F266-P287 HydrophobicContact CE2-CB 3.83Å; F266-P287 HydrophobicContact CE2-CG 3.61Å; F266-P287 HydrophobicContact CZ-CG 3.95Å; N270-P287 CarbonylContact O-C 3.06Å; N270-P287 WeakPolarHBondContact O-CA 3.4Å; L271-P287 HydrophobicContact CD2-CB 4.09Å; L271-P287 HydrophobicContact CD2-CG 3.99Å; P287-F290 HydrophobicContact CB-CE1 4.46Å; P287-F290 WeakPolarHBondContact O-CZ 3.41Å
288	I	91.4	Very high	91.6	Very high	22 Å²	22	39.8 Å²	39.8	11%	0.113	19%	0.185	C	C	.	.			trans	-136.3	176.5	177.7	61	160.4	0	0	0	110	P121 H263 N270 L272 L286	P121-I288 HydrophobicContact CG-CG2 4.01Å; H263-I288 PolarHBondContact CE1-O 3.32Å; H263-I288 PolarHBondContact NE2-O 3.49Å; N270-I288 WeakPolarHBondContact O-CG1 3.5Å; N270-I288 PolarHBondContact O-N 3.49Å; L272-I288 HydrophobicContact CD1-CD1 3.95Å; L272-I288 HydrophobicContact CD1-CG1 4.44Å; L272-I288 HydrophobicContact CD1-CG2 3.67Å; L272-I288 HydrophobicContact CD2-CD1 3.94Å; L272-I288 HydrophobicContact CG-CD1 3.79Å; L272-I288 HydrophobicContact CG-CG1 4.14Å; L272-I288 HydrophobicContact CG-CG2 4.08Å; L286-I288 HydrophobicContact CD2-CG2 4.36Å; L286-I288 HydrophobicContact CG-CG2 4.22Å
289	D	87.3	Confident	91.8	Very high	15 Å²	15	32.5 Å²	32.5	8%	0.08	15%	0.151	C	C	.	.			trans	62.7	73.4	174.4	-142.6	-15.4	0	0	0	114.3	R91 H263 N270 E291	R91-D289 IonicContact CZ-OD1 3.83Å; R91-D289 IonicContact CZ-OD2 3.98Å; R91-D289 VanDerWaalsContact CZ-OD2 3.22Å; R91-D289 IonicContact NH1-OD1 3.17Å; R91-D289 PolarHBondContact NH1-OD1 3.02Å; R91-D289 IonicContact NH1-OD2 3.58Å; R91-D289 PolarHBondContact NH1-OD2 2.89Å; R91-D289 IonicContact NH2-OD1 2.68Å; R91-D289 IonicContact NH2-OD2 3.37Å; R91-D289 PolarHBondContact NH2-OD2 3.41Å; H263-D289 PolarHBondContact CE1-O 3.38Å; H263-D289 VanDerWaalsContact CE1-O 3.3Å; N270-D289 WeakPolarHBondContact OD1-CB 3.29Å; D289-E291 VanDerWaalsContact C-N 3.25Å; D289-E291 PolarHBondContact O-N 2.91Å
290	F	88.3	Confident	92.1	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	12%	0.12	C	C	.	.			trans	-89.7	25.6	-174.1	-52.3	-72.5	0	0	0	113.4	L114 F160 H263 P287 Y292 S293	L114-F290 HydrophobicContact CB-CD2 4.36Å; L114-F290 HydrophobicContact CB-CE2 4.34Å; L114-F290 HydrophobicContact CD1-CB 3.61Å; L114-F290 HydrophobicContact CD1-CD1 3.6Å; L114-F290 HydrophobicContact CD1-CD2 3.38Å; L114-F290 HydrophobicContact CD1-CE1 4.07Å; L114-F290 HydrophobicContact CD1-CE2 3.88Å; L114-F290 HydrophobicContact CD1-CG 3.21Å; L114-F290 HydrophobicContact CD1-CZ 4.19Å; F160-F290 HydrophobicContact CD2-CE1 4.41Å; F160-F290 AromaticContact CE2-CD1 3.76Å; F160-F290 HydrophobicContact CE2-CD1 3.76Å; F160-F290 AromaticContact CE2-CE1 3.48Å; F160-F290 HydrophobicContact CE2-CE1 3.48Å; F160-F290 VanDerWaalsContact CE2-CE1 3.48Å; F160-F290 HydrophobicContact CE2-CZ 4.4Å; F160-F290 AromaticContact CZ-CD1 3.71Å; F160-F290 HydrophobicContact CZ-CD1 3.71Å; F160-F290 AromaticContact CZ-CE1 3.93Å; F160-F290 HydrophobicContact CZ-CE1 3.93Å; H263-F290 AromaticContact CD2-CD1 3.54Å; H263-F290 AromaticContact CD2-CE1 3.68Å; H263-F290 AromaticContact NE2-CD1 3.58Å; H263-F290 AromaticContact NE2-CE1 3.76Å; P287-F290 HydrophobicContact CB-CE1 4.46Å; P287-F290 WeakPolarHBondContact O-CZ 3.41Å; F290-Y292 PolarHBondContact O-N 3.19Å; F290-S293 WeakPolarHBondContact CA-OG 3.37Å; F290-S293 WeakPolarHBondContact CB-OG 3.27Å; F290-S293 VanDerWaalsContact O-CB 3.3Å; F290-S293 WeakPolarHBondContact O-CB 3.23Å; F290-S293 PolarHBondContact O-N 3.42Å; F290-S293 PolarHBondContact O-OG 2.85Å
291	E	83.9	Confident	92.4	Very high	9 Å²	9	23.5 Å²	23.5	4%	0.042	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-31.7	-172.8	72.2	178.7	-178.8	0	0	112.7	S66 N67 L97 D107 D289	S66-E291 WeakPolarHBondContact CB-OE1 3.23Å; S66-E291 PolarHBondContact OG-OE1 2.83Å; N67-E291 PolarHBondContact ND2-OE2 3.16Å; L97-E291 VanDerWaalsContact CD1-OE2 3.27Å; L97-E291 WeakPolarHBondContact CD1-OE2 3.29Å; D107-E291 WeakPolarHBondContact OD1-CA 3.3Å; D289-E291 VanDerWaalsContact C-N 3.25Å; D289-E291 PolarHBondContact O-N 2.91Å
292	Y	88.5	Confident	92.8	Very high	12 Å²	12	15.4 Å²	15.4	5%	0.047	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	2.2	175.8	-64.2	-71.8	0	0	0	113.6	F173 M177 H263 N264 D265 F290 W424 W427	F173-Y292 WeakPolarHBondContact CE1-O 3.29Å; M177-Y292 HydrophobicContact CE-CD1 4.27Å; M177-Y292 HydrophobicContact CE-CE1 4.38Å; M177-Y292 HydrophobicContact SD-CD1 3.93Å; M177-Y292 HydrophobicContact SD-CE1 3.76Å; H263-Y292 CarbonylContact O-C 3.42Å; N264-Y292 PolarHBondContact ND2-O 3.32Å; D265-Y292 HydrophobicContact CB-CD2 3.83Å; F290-Y292 PolarHBondContact O-N 3.19Å; Y292-W424 AromaticContact CD2-CH2 3.93Å; Y292-W424 HydrophobicContact CD2-CH2 3.93Å; Y292-W424 HydrophobicContact CE1-CH2 4.37Å; Y292-W424 AromaticContact CE2-CH2 3.64Å; Y292-W424 HydrophobicContact CE2-CH2 3.64Å; Y292-W424 HydrophobicContact CE2-CZ3 4.17Å; Y292-W424 HydrophobicContact CG-CH2 4.42Å; Y292-W424 AromaticContact CZ-CH2 3.89Å; Y292-W427 PolarHBondContact OH-NE1 3.14Å; Y292-W427 VanDerWaalsContact OH-NE1 3.1Å
293	S	91.5	Very high	93.2	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.007	5%	0.053	C	C	.	.			trans	-70.4	136.9	-173.1	-66.2	0	0	0	0	112.9	N110 C262 H263 F290	N110-S293 PolarHBondContact ND2-O 3.26Å; C262-S293 VanDerWaalsContact O-CA 3.27Å; C262-S293 WeakPolarHBondContact O-CA 3.23Å; H263-S293 PolarHBondContact O-N 2.97Å; H263-S293 PolarHBondContact O-OG 2.89Å; F290-S293 WeakPolarHBondContact CA-OG 3.37Å; F290-S293 WeakPolarHBondContact CB-OG 3.27Å; F290-S293 VanDerWaalsContact O-CB 3.3Å; F290-S293 WeakPolarHBondContact O-CB 3.23Å; F290-S293 PolarHBondContact O-N 3.42Å; F290-S293 PolarHBondContact O-OG 2.85Å
294	G	91.8	Very high	93.6	Very high	5 Å²	5	10 Å²	10	5%	0.052	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.4	168.2	-176.1	0	0	0	0	0	112.1	C262 N296	C262-G294 PolarHBondContact N-O 3.09Å; C262-G294 PolarHBondContact O-N 3.28Å; C262-G294 VanDerWaalsContact O-N 3.11Å; G294-N296 PolarHBondContact O-N 3.15Å
295	Y	93.7	Very high	93.9	Very high	21 Å²	21	7 Å²	7	8%	0.082	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	125.3	171.3	-77.8	-88.3	0	0	0	110.1	L163 M165 F167 S168 K169 P171 I259 V260 F261	L163-Y295 PolarHBondContact O-OH 3.42Å; L163-Y295 VanDerWaalsContact O-OH 3.06Å; M165-Y295 HydrophobicContact CB-CE2 4.2Å; M165-Y295 PolarHBondContact N-OH 2.86Å; M165-Y295 VanDerWaalsContact N-OH 3.1Å; F167-Y295 HydrophobicContact CB-CD2 4.46Å; S168-Y295 WeakPolarHBondContact O-CB 3.43Å; S168-Y295 WeakPolarHBondContact O-CD2 3.29Å; K169-Y295 HydrophobicContact CD-CD1 3.9Å; K169-Y295 HydrophobicContact CD-CD2 3.84Å; K169-Y295 HydrophobicContact CD-CE1 3.49Å; K169-Y295 VanDerWaalsContact CD-CE1 3.49Å; K169-Y295 HydrophobicContact CD-CE2 3.41Å; K169-Y295 VanDerWaalsContact CD-CE2 3.41Å; K169-Y295 HydrophobicContact CD-CG 4.08Å; K169-Y295 VanDerWaalsContact CE-OH 3.26Å; K169-Y295 WeakPolarHBondContact CE-OH 3.47Å; P171-Y295 WeakPolarHBondContact CA-O 3.35Å; I259-Y295 HydrophobicContact CG2-CD1 4.31Å; V260-Y295 VanDerWaalsContact O-CA 3.26Å; V260-Y295 WeakPolarHBondContact O-CA 3.25Å; F261-Y295 HydrophobicContact CB-CD1 4.44Å; F261-Y295 HydrophobicContact CB-CE1 4.06Å; F261-Y295 HydrophobicContact CB-CE2 4.37Å; F261-Y295 AromaticContact CD2-CD2 3.96Å; F261-Y295 HydrophobicContact CD2-CD2 3.96Å; F261-Y295 AromaticContact CD2-CE2 3.88Å; F261-Y295 HydrophobicContact CD2-CE2 3.88Å
296	N	95.7	Very high	94.1	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	173.6	-179	-164.8	13.6	0	0	0	109.4	I174 I259 V260 C262 N264 G294 R298 F300	I174-N296 WeakPolarHBondContact CG1-ND2 3.43Å; I259-N296 WeakPolarHBondContact CA-O 3.31Å; V260-N296 PolarHBondContact N-O 2.8Å; V260-N296 PolarHBondContact O-N 3.41Å; V260-N296 VanDerWaalsContact O-O 3.06Å; C262-N296 HydrophobicContact CB-CB 4.1Å; N264-N296 PolarHBondContact OD1-ND2 3.24Å; G294-N296 PolarHBondContact O-N 3.15Å; N296-R298 PolarHBondContact O-N 3.37Å; N296-F300 WeakPolarHBondContact ND2-CB 3.31Å; N296-F300 WeakPolarHBondContact ND2-CD1 3.4Å; N296-F300 WeakPolarHBondContact ND2-CG 2.94Å
297	Y	96.9	Very high	94.4	Very high	11 Å²	11	7 Å²	7	4%	0.043	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	130.6	171.5	-58.7	-82.3	0	0	0	110.1	P171 F249 F257 P258 I259 A299 F300	P171-Y297 HydrophobicContact CB-CD2 3.8Å; P171-Y297 HydrophobicContact CB-CE2 3.55Å; P171-Y297 HydrophobicContact CB-CG 4.41Å; P171-Y297 HydrophobicContact CG-CD2 4.31Å; P171-Y297 HydrophobicContact CG-CE1 4.19Å; P171-Y297 HydrophobicContact CG-CE2 3.59Å; F249-Y297 HydrophobicContact CB-CE2 4.01Å; F249-Y297 AromaticContact CD1-CD1 3.82Å; F249-Y297 HydrophobicContact CD1-CD1 3.82Å; F249-Y297 AromaticContact CD1-CD2 3.44Å; F249-Y297 HydrophobicContact CD1-CD2 3.44Å; F249-Y297 VanDerWaalsContact CD1-CD2 3.44Å; F249-Y297 HydrophobicContact CD1-CE1 4.03Å; F249-Y297 AromaticContact CD1-CE2 3.69Å; F249-Y297 HydrophobicContact CD1-CE2 3.69Å; F249-Y297 AromaticContact CD1-CG 3.49Å; F249-Y297 HydrophobicContact CD1-CG 3.49Å; F249-Y297 VanDerWaalsContact CD1-CG 3.49Å; F249-Y297 AromaticContact CD1-CZ 3.97Å; F249-Y297 HydrophobicContact CE1-CD1 4.36Å; F249-Y297 AromaticContact CE1-CD2 3.93Å; F249-Y297 HydrophobicContact CE1-CD2 3.93Å; F249-Y297 AromaticContact CE1-CG 3.78Å; F249-Y297 HydrophobicContact CE1-CG 3.78Å; F249-Y297 HydrophobicContact CG-CD2 4.35Å; F249-Y297 HydrophobicContact CG-CE2 4.23Å; F249-Y297 PolarHBondContact O-OH 3.15Å; F257-Y297 HydrophobicContact CB-CD1 3.93Å; P258-Y297 WeakPolarHBondContact O-CA 3.41Å; I259-Y297 HydrophobicContact CG1-CD1 4.08Å; I259-Y297 HydrophobicContact CG1-CE1 4.12Å; Y297-A299 PolarHBondContact O-N 3.15Å; Y297-A299 VanDerWaalsContact O-N 3.13Å; Y297-F300 WeakPolarHBondContact O-CB 3.42Å; Y297-F300 PolarHBondContact O-N 3.38Å
298	R	97	Very high	94.7	Very high	39 Å²	39	6.6 Å²	6.6	15%	0.147	3%	0.03	C	C	.	.	H	α-helix	trans	-57.1	-30.4	176.7	77.2	177.6	-178.1	-172.4	-1.9	112.1	P258 V260 N296 F300 D301 I302 E412	P258-R298 PolarHBondContact O-N 3.31Å; V260-R298 HydrophobicContact CG1-CB 4.49Å; V260-R298 HydrophobicContact CG2-CB 3.54Å; N296-R298 PolarHBondContact O-N 3.37Å; R298-F300 PolarHBondContact O-N 3.21Å; R298-D301 PolarHBondContact O-N 3.36Å; R298-I302 WeakPolarHBondContact O-CG1 3.5Å; R298-I302 PolarHBondContact O-N 2.98Å; R298-I302 VanDerWaalsContact O-N 3.14Å; R298-E412 WeakPolarHBondContact CD-OE1 3.47Å; R298-E412 WeakPolarHBondContact CG-OE1 3.5Å; R298-E412 IonicContact CZ-OE1 2.99Å; R298-E412 IonicContact CZ-OE2 3.59Å; R298-E412 IonicContact NE-OE1 2.58Å; R298-E412 PolarHBondContact NE-OE1 3.17Å; R298-E412 IonicContact NE-OE2 2.71Å; R298-E412 PolarHBondContact NE-OE2 2.59Å; R298-E412 IonicContact NH2-OE1 3.34Å; R298-E412 IonicContact NH2-OE2 3.62Å; R298-E412 PolarHBondContact NH2-OE2 3.39Å
299	A	97.6	Very high	95	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-49.2	-47.2	173.4	0	0	0	0	0	111.5	F249 Y297 D301 I302 G303 E412 G416	F249-A299 HydrophobicContact CE1-CB 4.03Å; F249-A299 HydrophobicContact CZ-CB 4.32Å; Y297-A299 PolarHBondContact O-N 3.15Å; Y297-A299 VanDerWaalsContact O-N 3.13Å; A299-D301 PolarHBondContact O-N 2.96Å; A299-I302 PolarHBondContact O-N 3.5Å; A299-G303 PolarHBondContact O-N 3.22Å; A299-E412 HydrophobicContact CB-CG 3.55Å; A299-E412 WeakPolarHBondContact CB-O 3.37Å; A299-G416 WeakPolarHBondContact O-CA 3.28Å
300	F	97.9	Very high	95.6	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-60.5	-47.3	-179	-175.8	-87.5	0	0	0	111.5	I174 N264 N296 Y297 R298 N304 L419 F423	I174-F300 HydrophobicContact CG1-CE1 4.48Å; I174-F300 HydrophobicContact CG2-CE2 4.01Å; I174-F300 HydrophobicContact CG2-CZ 4.14Å; N264-F300 HydrophobicContact CB-CD1 4.17Å; N264-F300 HydrophobicContact CB-CE1 3.85Å; N264-F300 WeakPolarHBondContact OD1-CD1 2.79Å; N296-F300 WeakPolarHBondContact ND2-CB 3.31Å; N296-F300 WeakPolarHBondContact ND2-CD1 3.4Å; N296-F300 WeakPolarHBondContact ND2-CG 2.94Å; Y297-F300 WeakPolarHBondContact O-CB 3.42Å; Y297-F300 PolarHBondContact O-N 3.38Å; R298-F300 PolarHBondContact O-N 3.21Å; F300-N304 HydrophobicContact CE1-CB 4.44Å; F300-N304 WeakPolarHBondContact O-CA 3.32Å; F300-N304 WeakPolarHBondContact O-CB 3.29Å; F300-N304 PolarHBondContact O-N 3.46Å; F300-L419 HydrophobicContact CD2-CB 4.07Å; F300-L419 HydrophobicContact CD2-CD2 3.77Å; F300-L419 HydrophobicContact CD2-CG 3.67Å; F300-L419 HydrophobicContact CE2-CD2 4.47Å; F300-L419 HydrophobicContact CE2-CG 3.98Å; F300-F423 HydrophobicContact CE2-CB 4.15Å; F300-F423 HydrophobicContact CE2-CG 4.47Å; F300-F423 HydrophobicContact CZ-CB 4.33Å; F300-F423 HydrophobicContact CZ-CD1 4.07Å; F300-F423 HydrophobicContact CZ-CG 4.26Å
301	D	98.1	Very high	96	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-66.6	-42.4	-175.8	-145.7	14.8	0	0	0	111.7	M157 H161 C262 H263 N264 R298 A299 H305	M157-D301 HydrophobicContact CE-CB 4.42Å; M157-D301 HydrophobicContact SD-CB 4.23Å; H161-D301 IonicContact CD2-OD2 3.96Å; H161-D301 IonicContact NE2-OD2 2.89Å; H161-D301 PolarHBondContact NE2-OD2 2.91Å; C262-D301 HydrophobicContact CB-CB 3.96Å; H263-D301 WeakPolarHBondContact CB-OD2 3.21Å; H263-D301 PolarHBondContact N-OD2 3.4Å; N264-D301 WeakPolarHBondContact CA-OD1 3.22Å; N264-D301 PolarHBondContact N-OD1 2.88Å; R298-D301 PolarHBondContact O-N 3.36Å; A299-D301 PolarHBondContact O-N 2.96Å; D301-H305 WeakPolarHBondContact O-CB 3.39Å; D301-H305 PolarHBondContact O-N 2.86Å
302	I	98.5	Very high	96.6	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-67.4	-50.3	178	-64.3	172.6	0	0	0	110.8	M157 R298 A299 N304 H305 F306 F337 W338 Y341	M157-I302 HydrophobicContact SD-CB 4.4Å; M157-I302 HydrophobicContact SD-CG1 3.5Å; M157-I302 WeakPolarHBondContact SD-CG1 3.41Å; R298-I302 WeakPolarHBondContact O-CG1 3.5Å; R298-I302 PolarHBondContact O-N 2.98Å; R298-I302 VanDerWaalsContact O-N 3.14Å; A299-I302 PolarHBondContact O-N 3.5Å; I302-N304 VanDerWaalsContact C-N 3.31Å; I302-N304 PolarHBondContact O-N 3.22Å; I302-H305 PolarHBondContact O-N 3.18Å; I302-F306 HydrophobicContact CG2-CD2 4.34Å; I302-F306 HydrophobicContact CG2-CE2 3.87Å; I302-F306 HydrophobicContact CG2-CZ 4.09Å; I302-F306 PolarHBondContact O-N 3.21Å; I302-F306 VanDerWaalsContact O-N 3.07Å; I302-F337 HydrophobicContact CB-CE1 4.5Å; I302-F337 HydrophobicContact CD1-CE1 4.27Å; I302-F337 HydrophobicContact CG1-CE1 3.96Å; I302-F337 HydrophobicContact CG1-CZ 4.48Å; I302-F337 HydrophobicContact CG2-CD1 4.32Å; I302-F337 HydrophobicContact CG2-CE1 3.93Å; I302-W338 HydrophobicContact CD1-CE3 4.32Å; I302-W338 HydrophobicContact CD1-CH2 3.21Å; I302-W338 HydrophobicContact CD1-CZ2 3.64Å; I302-W338 HydrophobicContact CD1-CZ3 3.58Å; I302-W338 HydrophobicContact CG2-CZ2 4.21Å; I302-Y341 HydrophobicContact CD1-CD2 4.42Å; I302-Y341 HydrophobicContact CD1-CE2 4.24Å
303	G	98.4	Very high	96.8	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.3	-36.7	179.6	0	0	0	0	0	112.4	A299 F306 N307 S417	A299-G303 PolarHBondContact O-N 3.22Å; G303-F306 PolarHBondContact O-N 3.48Å; G303-N307 PolarHBondContact O-N 2.74Å; G303-N307 PolarHBondContact O-OD1 3.03Å; G303-S417 VanDerWaalsContact CA-OG 3.24Å; G303-S417 WeakPolarHBondContact CA-OG 3.36Å; G303-S417 PolarHBondContact O-OG 3.08Å
304	N	98.5	Very high	96.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.2	-51.4	172.4	-170.9	71	0	0	0	110.9	N264 F300 I302 F306 N307 E308 S420 W424	N264-N304 PolarHBondContact O-ND2 3.22Å; F300-N304 HydrophobicContact CE1-CB 4.44Å; F300-N304 WeakPolarHBondContact O-CA 3.32Å; F300-N304 WeakPolarHBondContact O-CB 3.29Å; F300-N304 PolarHBondContact O-N 3.46Å; I302-N304 VanDerWaalsContact C-N 3.31Å; I302-N304 PolarHBondContact O-N 3.22Å; N304-F306 VanDerWaalsContact C-N 3.26Å; N304-F306 PolarHBondContact O-N 2.77Å; N304-N307 WeakPolarHBondContact O-CA 3.37Å; N304-N307 WeakPolarHBondContact O-CB 3.46Å; N304-N307 PolarHBondContact O-N 3.3Å; N304-E308 WeakPolarHBondContact O-CG 3.4Å; N304-E308 PolarHBondContact O-N 2.63Å; N304-S420 PolarHBondContact OD1-OG 2.85Å; N304-W424 PolarHBondContact OD1-NE1 3.04Å
305	H	98.5	Very high	96.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-55.1	-41.2	178.5	175.9	62.7	0	0	0	112.7	M157 F266 D301 I302 E308 W309 F337	M157-H305 HydrophobicContact CE-CB 3.78Å; F266-H305 AromaticContact CD1-ND1 3.58Å; F266-H305 PolarHBondContact O-ND1 3.46Å; D301-H305 WeakPolarHBondContact O-CB 3.39Å; D301-H305 PolarHBondContact O-N 2.86Å; I302-H305 PolarHBondContact O-N 3.18Å; H305-E308 PolarHBondContact O-N 3.03Å; H305-W309 AromaticContact CD2-NE1 3.92Å; H305-W309 AromaticContact CE1-NE1 3.74Å; H305-W309 AromaticContact NE2-NE1 3.41Å; H305-W309 PolarHBondContact NE2-NE1 2.88Å; H305-F337 AromaticContact CD2-CE2 3.71Å
306	F	98.6	Very high	96.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.9	-34.2	176	-68.4	-13.5	0	0	0	113.6	I302 G303 N304 E308 W309 Y328 P329 Q334 F337 T413	I302-F306 HydrophobicContact CG2-CD2 4.34Å; I302-F306 HydrophobicContact CG2-CE2 3.87Å; I302-F306 HydrophobicContact CG2-CZ 4.09Å; I302-F306 PolarHBondContact O-N 3.21Å; I302-F306 VanDerWaalsContact O-N 3.07Å; G303-F306 PolarHBondContact O-N 3.48Å; N304-F306 VanDerWaalsContact C-N 3.26Å; N304-F306 PolarHBondContact O-N 2.77Å; F306-E308 VanDerWaalsContact C-N 3.27Å; F306-E308 PolarHBondContact O-N 3.35Å; F306-W309 WeakPolarHBondContact O-CB 3.31Å; F306-W309 PolarHBondContact O-N 3.35Å; F306-Y328 HydrophobicContact CB-CE2 3.75Å; F306-P329 HydrophobicContact CB-CG 3.6Å; F306-P329 HydrophobicContact CD1-CG 3.62Å; F306-P329 HydrophobicContact CD2-CG 3.82Å; F306-P329 HydrophobicContact CE1-CG 4.21Å; F306-P329 HydrophobicContact CE2-CG 4.41Å; F306-P329 HydrophobicContact CG-CG 3.4Å; F306-Q334 HydrophobicContact CD2-CG 4.12Å; F306-Q334 HydrophobicContact CE2-CB 4.14Å; F306-Q334 HydrophobicContact CE2-CG 3.69Å; F306-Q334 HydrophobicContact CZ-CG 4.31Å; F306-F337 HydrophobicContact CE1-CB 4.05Å; F306-F337 HydrophobicContact CE1-CD1 4.22Å; F306-F337 AromaticContact CE1-CD2 3.66Å; F306-F337 HydrophobicContact CE1-CD2 3.66Å; F306-F337 HydrophobicContact CE1-CE2 4.12Å; F306-F337 AromaticContact CE1-CG 3.71Å; F306-F337 HydrophobicContact CE1-CG 3.71Å; F306-F337 HydrophobicContact CZ-CB 3.69Å; F306-F337 AromaticContact CZ-CD1 3.78Å; F306-F337 HydrophobicContact CZ-CD1 3.78Å; F306-F337 HydrophobicContact CZ-CD2 4.02Å; F306-F337 HydrophobicContact CZ-CE1 4.44Å; F306-F337 AromaticContact CZ-CG 3.56Å; F306-F337 HydrophobicContact CZ-CG 3.56Å; F306-T413 HydrophobicContact CD2-CG2 3.41Å; F306-T413 VanDerWaalsContact CD2-CG2 3.41Å; F306-T413 HydrophobicContact CE2-CG2 3.59Å
307	N	98.6	Very high	96.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.7	-41.6	172.4	-70.7	-6.9	0	0	0	110.6	G303 N304 W309 C310 Y311 Y328 S417 S420 H421	G303-N307 PolarHBondContact O-N 2.74Å; G303-N307 PolarHBondContact O-OD1 3.03Å; N304-N307 WeakPolarHBondContact O-CA 3.37Å; N304-N307 WeakPolarHBondContact O-CB 3.46Å; N304-N307 PolarHBondContact O-N 3.3Å; N307-W309 PolarHBondContact O-N 3.08Å; N307-W309 VanDerWaalsContact O-N 3.14Å; N307-C310 VanDerWaalsContact O-CB 3.28Å; N307-C310 WeakPolarHBondContact O-CB 3.47Å; N307-C310 PolarHBondContact O-N 3.28Å; N307-Y311 HydrophobicContact CB-CE2 4.4Å; N307-Y311 WeakPolarHBondContact O-CD2 3.26Å; N307-Y311 WeakPolarHBondContact O-CE2 3.41Å; N307-Y328 WeakPolarHBondContact OD1-CE2 3.41Å; N307-S417 WeakPolarHBondContact ND2-CA 3.12Å; N307-S417 PolarHBondContact ND2-O 3.24Å; N307-S417 WeakPolarHBondContact OD1-CB 3.3Å; N307-S417 PolarHBondContact OD1-OG 3.33Å; N307-S420 WeakPolarHBondContact ND2-CB 3.22Å; N307-S420 PolarHBondContact ND2-OG 3.24Å; N307-H421 PolarHBondContact ND2-CE1 2.9Å; N307-H421 PolarHBondContact ND2-NE2 3.38Å; N307-H421 PolarHBondContact OD1-NE2 3.27Å
308	E	98.2	Very high	96	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-63.4	-18	-178.2	-62.6	-52.3	132.9	0	0	113.8	Q267 N304 H305 F306 C310 Y311 Y313 R448	Q267-E308 HydrophobicContact CB-CB 4.18Å; Q267-E308 HydrophobicContact CB-CG 3.78Å; N304-E308 WeakPolarHBondContact O-CG 3.4Å; N304-E308 PolarHBondContact O-N 2.63Å; H305-E308 PolarHBondContact O-N 3.03Å; F306-E308 VanDerWaalsContact C-N 3.27Å; F306-E308 PolarHBondContact O-N 3.35Å; E308-C310 PolarHBondContact O-N 3.24Å; E308-C310 VanDerWaalsContact O-N 3.12Å; E308-Y311 PolarHBondContact O-N 3.1Å; E308-Y313 WeakPolarHBondContact OE2-CE2 3.41Å; E308-Y313 PolarHBondContact OE2-OH 3.11Å; E308-R448 IonicContact OE1-CZ 2.68Å; E308-R448 IonicContact OE1-NH1 3.96Å; E308-R448 PolarHBondContact OE1-NH1 3.26Å; E308-R448 IonicContact OE1-NH2 3.71Å; E308-R448 PolarHBondContact OE1-NH2 3.44Å
309	W	98.3	Very high	95.9	Very high	5 Å²	5	28.6 Å²	28.6	2%	0.019	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.7	170.6	-68.4	31.8	0	0	0	112.9	L146 P147 I150 H305 F306 N307 N327 P329 K333	L146-W309 HydrophobicContact CB-CD2 4.33Å; L146-W309 HydrophobicContact CB-CG 4.23Å; L146-W309 HydrophobicContact CD1-CG 4.32Å; P147-W309 HydrophobicContact CB-CE3 4.31Å; P147-W309 HydrophobicContact CB-CH2 3.86Å; P147-W309 HydrophobicContact CB-CZ3 3.66Å; P147-W309 HydrophobicContact CG-CD2 4.36Å; P147-W309 HydrophobicContact CG-CE3 3.77Å; P147-W309 HydrophobicContact CG-CH2 4.18Å; P147-W309 HydrophobicContact CG-CZ3 3.66Å; I150-W309 HydrophobicContact CB-CH2 4.31Å; I150-W309 HydrophobicContact CB-CZ2 4.33Å; I150-W309 HydrophobicContact CD1-CH2 3.84Å; I150-W309 HydrophobicContact CD1-CZ2 4.25Å; I150-W309 HydrophobicContact CG1-CH2 4.12Å; I150-W309 HydrophobicContact CG1-CZ2 4.09Å; H305-W309 AromaticContact CD2-NE1 3.92Å; H305-W309 AromaticContact CE1-NE1 3.74Å; H305-W309 AromaticContact NE2-NE1 3.41Å; H305-W309 PolarHBondContact NE2-NE1 2.88Å; F306-W309 WeakPolarHBondContact O-CB 3.31Å; F306-W309 PolarHBondContact O-N 3.35Å; N307-W309 PolarHBondContact O-N 3.08Å; N307-W309 VanDerWaalsContact O-N 3.14Å; W309-N327 WeakPolarHBondContact O-CB 3.38Å; W309-P329 HydrophobicContact CD2-CG 4.38Å; W309-P329 HydrophobicContact CE3-CB 4Å; W309-P329 HydrophobicContact CE3-CG 4.26Å; W309-P329 HydrophobicContact CH2-CB 4.24Å; W309-P329 HydrophobicContact CZ3-CB 3.84Å; W309-K333 HydrophobicContact CH2-CD 4.22Å; W309-K333 HydrophobicContact CZ3-CD 3.73Å
310	C	98.4	Very high	95.6	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-9.6	-176.7	-54.3	0	0	0	0	113.4	N307 E308 H323 N324 Y328	N307-C310 VanDerWaalsContact O-CB 3.28Å; N307-C310 WeakPolarHBondContact O-CB 3.47Å; N307-C310 PolarHBondContact O-N 3.28Å; E308-C310 PolarHBondContact O-N 3.24Å; E308-C310 VanDerWaalsContact O-N 3.12Å; C310-H323 CarbonylContact O-C 3.49Å; C310-H323 VanDerWaalsContact O-CA 3.25Å; C310-H323 WeakPolarHBondContact O-CA 3.37Å; C310-H323 PolarHBondContact O-CD2 3.41Å; C310-N324 WeakPolarHBondContact CB-O 3.36Å; C310-N324 PolarHBondContact O-N 3.4Å; C310-Y328 VanDerWaalsContact SG-CA 3.51Å; C310-Y328 VanDerWaalsContact SG-CB 3.55Å; C310-Y328 PolarHBondContact SG-N 2.75Å; C310-Y328 VanDerWaalsContact SG-N 3.36Å
311	Y	97.5	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.4	-175.4	-58.4	-84.5	0	0	0	109.6	T143 N307 E308 Y313 Y321 F322 H323 H421 Y444 V447 R448 H451	T143-Y311 VanDerWaalsContact CG2-O 3.29Å; T143-Y311 WeakPolarHBondContact CG2-O 3.36Å; T143-Y311 PolarHBondContact OG1-O 2.54Å; N307-Y311 HydrophobicContact CB-CE2 4.4Å; N307-Y311 WeakPolarHBondContact O-CD2 3.26Å; N307-Y311 WeakPolarHBondContact O-CE2 3.41Å; E308-Y311 PolarHBondContact O-N 3.1Å; Y311-Y313 WeakPolarHBondContact CB-OH 3.42Å; Y311-Y321 HydrophobicContact CD1-CD2 4.37Å; Y311-F322 WeakPolarHBondContact CA-O 3.14Å; Y311-H323 HydrophobicContact CD1-CB 4.35Å; Y311-H323 AromaticContact CD1-CD2 3.8Å; Y311-H323 HydrophobicContact CE1-CB 4.37Å; Y311-H323 AromaticContact CE1-CD2 3.29Å; Y311-H323 WeakPolarHBondContact CE1-CD2 3.47Å; Y311-H323 AromaticContact CZ-CD2 3.54Å; Y311-H323 AromaticContact CZ-NE2 3.88Å; Y311-H421 PolarHBondContact OH-CE1 3.43Å; Y311-H421 VanDerWaalsContact OH-CE1 3.27Å; Y311-Y444 AromaticContact CD1-CE2 3.79Å; Y311-Y444 HydrophobicContact CD1-CE2 3.79Å; Y311-Y444 HydrophobicContact CE1-CE2 4.13Å; Y311-Y444 HydrophobicContact CG-CE2 4.46Å; Y311-V447 HydrophobicContact CE1-CG1 4.2Å; Y311-R448 VanDerWaalsContact CD2-NH1 3.32Å; Y311-R448 HydrophobicContact CE1-CG 4.46Å; Y311-R448 VanDerWaalsContact CE2-NH1 3.33Å; Y311-R448 WeakPolarHBondContact OH-CD 3.17Å; Y311-H451 PolarHBondContact OH-ND1 3Å
312	D	95.6	Very high	95.4	Very high	18 Å²	18	34.9 Å²	34.9	10%	0.096	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	111.4	176.4	176.4	-17.9	0	0	0	108.8	T143 Q144 T314 Y321 F322	T143-D312 HydrophobicContact CG2-CB 4.32Å; T143-D312 WeakPolarHBondContact OG1-CA 3.33Å; T143-D312 WeakPolarHBondContact OG1-CB 3.5Å; Q144-D312 PolarHBondContact NE2-OD2 3.04Å; D312-T314 PolarHBondContact O-N 3.06Å; D312-T314 VanDerWaalsContact OD1-CB 3.25Å; D312-T314 WeakPolarHBondContact OD1-CB 3.27Å; D312-T314 VanDerWaalsContact OD1-CG2 3.29Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.48Å; D312-T314 PolarHBondContact OD1-N 3.31Å; D312-T314 PolarHBondContact OD1-OG1 2.9Å; D312-Y321 CarbonylContact O-C 3.55Å; D312-Y321 WeakPolarHBondContact O-CA 3.49Å; D312-F322 HydrophobicContact CB-CB 4.23Å; D312-F322 HydrophobicContact CB-CD2 4.34Å; D312-F322 PolarHBondContact N-O 3.35Å; D312-F322 PolarHBondContact O-N 3.43Å
313	Y	92.6	Very high	95.3	Very high	37 Å²	37	38 Å²	38	15%	0.145	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	11.8	-173.2	-53.5	-75.4	0	0	0	113.8	L65 E268 E308 Y311 F439 Y444	L65-Y313 HydrophobicContact CD1-CD1 4.41Å; E268-Y313 VanDerWaalsContact OE1-CD2 3.32Å; E268-Y313 WeakPolarHBondContact OE1-CD2 3.45Å; E308-Y313 WeakPolarHBondContact OE2-CE2 3.41Å; E308-Y313 PolarHBondContact OE2-OH 3.11Å; Y311-Y313 WeakPolarHBondContact CB-OH 3.42Å; Y313-F439 HydrophobicContact CD1-CE2 4.22Å; Y313-Y444 HydrophobicContact CE1-CE2 4.04Å; Y313-Y444 PolarHBondContact OH-OH 2.95Å; Y313-Y444 VanDerWaalsContact OH-OH 3.06Å
314	T	90.9	Very high	95.3	Very high	98 Å²	98	41 Å²	41	60%	0.601	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.3	-176.1	67.6	0	0	0	0	114.6	D312 P316	D312-T314 PolarHBondContact O-N 3.06Å; D312-T314 VanDerWaalsContact OD1-CB 3.25Å; D312-T314 WeakPolarHBondContact OD1-CB 3.27Å; D312-T314 VanDerWaalsContact OD1-CG2 3.29Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.48Å; D312-T314 PolarHBondContact OD1-N 3.31Å; D312-T314 PolarHBondContact OD1-OG1 2.9Å; T314-P316 VanDerWaalsContact O-CD 3.27Å; T314-P316 WeakPolarHBondContact O-CD 3.43Å
315	N	92.3	Very high	95.2	Very high	15 Å²	15	43.3 Å²	43.3	8%	0.08	22%	0.218	C	C	.	.			trans	-66.7	116.7	-178.4	-174.9	3.4	0	0	0	111.4	N317 N320 Y321 F322	N315-N317 VanDerWaalsContact C-N 3.26Å; N315-N317 VanDerWaalsContact CG-O 3.25Å; N315-N317 PolarHBondContact ND2-O 3.47Å; N315-N317 PolarHBondContact O-N 3.34Å; N315-N317 PolarHBondContact OD1-N 2.92Å; N315-N317 PolarHBondContact OD1-O 3.44Å; N315-N320 CarbonylContact O-C 3.58Å; N315-N320 VanDerWaalsContact O-CA 3.32Å; N315-N320 WeakPolarHBondContact O-CA 3.39Å; N315-Y321 PolarHBondContact ND2-O 2.95Å; N315-F322 HydrophobicContact CB-CD1 4.31Å; N315-F322 HydrophobicContact CB-CD2 3.76Å; N315-F322 HydrophobicContact CB-CE1 4.05Å; N315-F322 HydrophobicContact CB-CE2 3.46Å; N315-F322 VanDerWaalsContact CB-CE2 3.46Å; N315-F322 HydrophobicContact CB-CG 4.17Å; N315-F322 HydrophobicContact CB-CZ 3.61Å; N315-F322 VanDerWaalsContact CG-CZ 3.49Å
316	P	89.3	Confident	95	Very high	100 Å²	100	51.3 Å²	51.3	65%	0.649	26%	0.256	S	S	*	.			trans	-74.6	-16.3	179.4	30.9	-35.8	0	0	0	113.3	T314 N320	T314-P316 VanDerWaalsContact O-CD 3.27Å; T314-P316 WeakPolarHBondContact O-CD 3.43Å; P316-N320 PolarHBondContact O-ND2 3.18Å
317	N	91.7	Very high	95	Very high	111 Å²	111	55 Å²	55	59%	0.594	28%	0.275	S	S	*	.	S	Bend	trans	-99.7	148.9	-177.9	-56.4	-62.1	0	0	0	110.4	N315 N320	N315-N317 VanDerWaalsContact C-N 3.26Å; N315-N317 VanDerWaalsContact CG-O 3.25Å; N315-N317 PolarHBondContact ND2-O 3.47Å; N315-N317 PolarHBondContact O-N 3.34Å; N315-N317 PolarHBondContact OD1-N 2.92Å; N315-N317 PolarHBondContact OD1-O 3.44Å; N317-N320 WeakPolarHBondContact O-CA 3.25Å; N317-N320 PolarHBondContact O-N 3.02Å
318	R	90.1	Very high	95	Very high	180 Å²	180	56 Å²	56	68%	0.679	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	129.8	170.2	-169.9	177.8	-178.2	133.1	0.5	109.4	D440	R318-D440 HydrophobicContact CG-CB 4.19Å; R318-D440 IonicContact CZ-OD2 3.64Å; R318-D440 IonicContact NE-OD2 3.34Å; R318-D440 PolarHBondContact NE-OD2 3.25Å; R318-D440 IonicContact NH2-OD1 3.96Å; R318-D440 PolarHBondContact NH2-OD1 3.48Å; R318-D440 IonicContact NH2-OD2 3.8Å; R318-D440 PolarHBondContact NH2-OD2 3.36Å
319	P	93.6	Very high	95	Very high	33 Å²	33	55.9 Å²	55.9	21%	0.214	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	cis	-87.5	9.4	17.6	36.9	-38.3	0	0	0	116.7	Y321 D440 D443	P319-Y321 VanDerWaalsContact C-N 3.35Å; P319-Y321 HydrophobicContact CB-CD1 4.06Å; P319-Y321 HydrophobicContact CB-CE1 3.6Å; P319-Y321 HydrophobicContact CG-CD1 4.06Å; P319-Y321 HydrophobicContact CG-CE1 3.73Å; P319-Y321 WeakPolarHBondContact O-CD1 3.33Å; P319-D440 HydrophobicContact CB-CB 3.65Å; P319-D440 PolarHBondContact O-N 3.11Å; P319-D440 VanDerWaalsContact O-N 3.16Å; P319-D443 HydrophobicContact CB-CB 4.31Å; P319-D443 WeakPolarHBondContact CB-OD2 3.3Å
320	N	92.5	Very high	94.9	Very high	20 Å²	20	59.2 Å²	59.2	11%	0.107	30%	0.297	C	S	.	.	S	Bend	trans	75.3	15.7	-180	-59.2	95	0	0	0	115.7	N315 P316 N317 Q438 F439	N315-N320 CarbonylContact O-C 3.58Å; N315-N320 VanDerWaalsContact O-CA 3.32Å; N315-N320 WeakPolarHBondContact O-CA 3.39Å; P316-N320 PolarHBondContact O-ND2 3.18Å; N317-N320 WeakPolarHBondContact O-CA 3.25Å; N317-N320 PolarHBondContact O-N 3.02Å; N320-Q438 VanDerWaalsContact CG-O 3.23Å; N320-Q438 PolarHBondContact OD1-O 2.63Å; N320-F439 HydrophobicContact CB-CD2 3.84Å
321	Y	95	Very high	94.7	Very high	7 Å²	7	62 Å²	62	3%	0.027	31%	0.307	C	S	.	.	S	Bend	trans	-146.7	164.2	166.2	65.3	-79.9	0	0	0	110.2	Y311 D312 N315 P319 H323 F439 D443 Y444 V447	Y311-Y321 HydrophobicContact CD1-CD2 4.37Å; D312-Y321 CarbonylContact O-C 3.55Å; D312-Y321 WeakPolarHBondContact O-CA 3.49Å; N315-Y321 PolarHBondContact ND2-O 2.95Å; P319-Y321 VanDerWaalsContact C-N 3.35Å; P319-Y321 HydrophobicContact CB-CD1 4.06Å; P319-Y321 HydrophobicContact CB-CE1 3.6Å; P319-Y321 HydrophobicContact CG-CD1 4.06Å; P319-Y321 HydrophobicContact CG-CE1 3.73Å; P319-Y321 WeakPolarHBondContact O-CD1 3.33Å; Y321-H323 HydrophobicContact CD2-CB 4.24Å; Y321-H323 HydrophobicContact CE2-CB 3.97Å; Y321-F439 HydrophobicContact CD1-CE1 4.35Å; Y321-F439 AromaticContact CD1-CE2 3.71Å; Y321-F439 HydrophobicContact CD1-CE2 3.71Å; Y321-F439 AromaticContact CD1-CZ 3.54Å; Y321-F439 HydrophobicContact CD1-CZ 3.54Å; Y321-F439 HydrophobicContact CE1-CZ 4.14Å; Y321-F439 HydrophobicContact CG-CE2 4.27Å; Y321-F439 HydrophobicContact CG-CZ 4.21Å; Y321-D443 PolarHBondContact OH-OD2 2.97Å; Y321-Y444 HydrophobicContact CD1-CD2 4.07Å; Y321-Y444 HydrophobicContact CD2-CD2 4.19Å; Y321-Y444 AromaticContact CE1-CD2 3.84Å; Y321-Y444 HydrophobicContact CE1-CD2 3.84Å; Y321-Y444 HydrophobicContact CE1-CG 4.37Å; Y321-Y444 AromaticContact CE2-CD2 3.96Å; Y321-Y444 HydrophobicContact CE2-CD2 3.96Å; Y321-Y444 HydrophobicContact CG-CD2 4.26Å; Y321-Y444 AromaticContact CZ-CD2 3.81Å; Y321-Y444 WeakPolarHBondContact OH-CA 3.49Å; Y321-Y444 PolarHBondContact OH-N 3.32Å; Y321-V447 HydrophobicContact CE2-CG1 4.37Å; Y321-V447 VanDerWaalsContact OH-CG2 3.23Å; Y321-V447 WeakPolarHBondContact OH-CG2 3.34Å
322	F	96.7	Very high	94.7	Very high	105 Å²	105	66.1 Å²	66.1	46%	0.461	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	146.8	161.4	-56.8	-73.9	0	0	0	108.9	Y311 D312 N315	Y311-F322 WeakPolarHBondContact CA-O 3.14Å; D312-F322 HydrophobicContact CB-CB 4.23Å; D312-F322 HydrophobicContact CB-CD2 4.34Å; D312-F322 PolarHBondContact N-O 3.35Å; D312-F322 PolarHBondContact O-N 3.43Å; N315-F322 HydrophobicContact CB-CD1 4.31Å; N315-F322 HydrophobicContact CB-CD2 3.76Å; N315-F322 HydrophobicContact CB-CE1 4.05Å; N315-F322 HydrophobicContact CB-CE2 3.46Å; N315-F322 VanDerWaalsContact CB-CE2 3.46Å; N315-F322 HydrophobicContact CB-CG 4.17Å; N315-F322 HydrophobicContact CB-CZ 3.61Å; N315-F322 VanDerWaalsContact CG-CZ 3.49Å
323	H	97	Very high	94.8	Very high	65 Å²	65	69.2 Å²	69.2	30%	0.301	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	128	173.1	169.9	-109.2	0	0	0	110.1	C310 Y311 Y321 V447 H451	C310-H323 CarbonylContact O-C 3.49Å; C310-H323 VanDerWaalsContact O-CA 3.25Å; C310-H323 WeakPolarHBondContact O-CA 3.37Å; C310-H323 PolarHBondContact O-CD2 3.41Å; Y311-H323 HydrophobicContact CD1-CB 4.35Å; Y311-H323 AromaticContact CD1-CD2 3.8Å; Y311-H323 HydrophobicContact CE1-CB 4.37Å; Y311-H323 AromaticContact CE1-CD2 3.29Å; Y311-H323 WeakPolarHBondContact CE1-CD2 3.47Å; Y311-H323 AromaticContact CZ-CD2 3.54Å; Y311-H323 AromaticContact CZ-NE2 3.88Å; Y321-H323 HydrophobicContact CD2-CB 4.24Å; Y321-H323 HydrophobicContact CE2-CB 3.97Å; H323-V447 HydrophobicContact CB-CG1 3.91Å; H323-V447 VanDerWaalsContact CG-CG1 3.45Å; H323-V447 VanDerWaalsContact ND1-CG1 3.33Å; H323-V447 WeakPolarHBondContact ND1-CG1 3.42Å; H323-H451 AromaticContact NE2-ND1 3.29Å; H323-H451 PolarHBondContact NE2-ND1 2.76Å
324	N	97.2	Very high	95	Very high	63 Å²	63	67.7 Å²	67.7	34%	0.337	34%	0.343	S	S	.	.			trans	-140	108.7	170.9	-174.6	8.4	0	0	0	110.9	C310 E326 N327	C310-N324 WeakPolarHBondContact CB-O 3.36Å; C310-N324 PolarHBondContact O-N 3.4Å; N324-E326 PolarHBondContact O-N 3.23Å; N324-E326 WeakPolarHBondContact OD1-CB 3.32Å; N324-E326 PolarHBondContact OD1-N 3.28Å; N324-N327 PolarHBondContact ND2-OD1 2.9Å; N324-N327 WeakPolarHBondContact O-CB 3.36Å; N324-N327 PolarHBondContact O-N 2.94Å
325	I	95.7	Very high	95.3	Very high	48 Å²	48	68.7 Å²	68.7	25%	0.246	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-64.4	-25.7	178	-169.7	167.4	0	0	0	113.4	N327 Y328 H451 L454 W458	I325-N327 PolarHBondContact O-N 3.1Å; I325-N327 VanDerWaalsContact O-N 3.11Å; I325-Y328 VanDerWaalsContact O-CB 3.3Å; I325-Y328 WeakPolarHBondContact O-CB 3.36Å; I325-Y328 PolarHBondContact O-N 3.3Å; I325-H451 VanDerWaalsContact CD1-CD2 3.43Å; I325-H451 WeakPolarHBondContact CD1-CD2 3.24Å; I325-H451 WeakPolarHBondContact CD1-NE2 3.47Å; I325-H451 WeakPolarHBondContact CG1-NE2 3.44Å; I325-L454 HydrophobicContact CD1-CB 4.47Å; I325-L454 HydrophobicContact CD1-CD2 3.29Å; I325-L454 HydrophobicContact CD1-CG 3.98Å; I325-W458 HydrophobicContact CD1-CZ2 4.49Å
326	E	96.1	Very high	95.5	Very high	169 Å²	169	71.1 Å²	71.1	79%	0.79	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-65.1	-15.9	178.4	-60	-177.3	162.6	0	0	112.4	N324 Y328	N324-E326 PolarHBondContact O-N 3.23Å; N324-E326 WeakPolarHBondContact OD1-CB 3.32Å; N324-E326 PolarHBondContact OD1-N 3.28Å; E326-Y328 VanDerWaalsContact C-N 3.32Å
327	N	97.7	Very high	95.9	Very high	77 Å²	77	66.3 Å²	66.3	41%	0.412	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-79.5	-12.2	174.7	-66.1	-12.8	0	0	0	113.2	W309 N324 I325	W309-N327 WeakPolarHBondContact O-CB 3.38Å; N324-N327 PolarHBondContact ND2-OD1 2.9Å; N324-N327 WeakPolarHBondContact O-CB 3.36Å; N324-N327 PolarHBondContact O-N 2.94Å; I325-N327 PolarHBondContact O-N 3.1Å; I325-N327 VanDerWaalsContact O-N 3.11Å
328	Y	98.2	Very high	96.2	Very high	20 Å²	20	61.5 Å²	61.5	8%	0.078	29%	0.291	C	S	.	.	S	Bend	trans	-57.5	133.5	178.2	-167	-94.3	0	0	0	109.8	F306 N307 C310 I325 E326 D330 S417 M455 W458	F306-Y328 HydrophobicContact CB-CE2 3.75Å; N307-Y328 WeakPolarHBondContact OD1-CE2 3.41Å; C310-Y328 VanDerWaalsContact SG-CA 3.51Å; C310-Y328 VanDerWaalsContact SG-CB 3.55Å; C310-Y328 PolarHBondContact SG-N 2.75Å; C310-Y328 VanDerWaalsContact SG-N 3.36Å; I325-Y328 VanDerWaalsContact O-CB 3.3Å; I325-Y328 WeakPolarHBondContact O-CB 3.36Å; I325-Y328 PolarHBondContact O-N 3.3Å; E326-Y328 VanDerWaalsContact C-N 3.32Å; Y328-D330 PolarHBondContact O-N 3.42Å; Y328-S417 PolarHBondContact OH-OG 3.03Å; Y328-M455 HydrophobicContact CE1-CE 4.07Å; Y328-M455 HydrophobicContact CE2-CE 3.83Å; Y328-M455 HydrophobicContact CE2-SD 4.22Å; Y328-M455 VanDerWaalsContact CZ-CE 3.48Å; Y328-M455 WeakPolarHBondContact OH-CE 3.43Å; Y328-W458 HydrophobicContact CD1-CH2 4.03Å; Y328-W458 AromaticContact CD1-CZ3 3.91Å; Y328-W458 HydrophobicContact CD1-CZ3 3.91Å; Y328-W458 HydrophobicContact CE1-CH2 4.41Å; Y328-W458 AromaticContact CE1-CZ3 3.85Å; Y328-W458 HydrophobicContact CE1-CZ3 3.85Å; Y328-W458 HydrophobicContact CG-CH2 4.44Å
329	P	97.8	Very high	96.4	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-62.4	126.6	-174.8	22.4	-31.5	0	0	0	111.1	F306 W309 K333 Q334	F306-P329 HydrophobicContact CB-CG 3.6Å; F306-P329 HydrophobicContact CD1-CG 3.62Å; F306-P329 HydrophobicContact CD2-CG 3.82Å; F306-P329 HydrophobicContact CE1-CG 4.21Å; F306-P329 HydrophobicContact CE2-CG 4.41Å; F306-P329 HydrophobicContact CG-CG 3.4Å; W309-P329 HydrophobicContact CD2-CG 4.38Å; W309-P329 HydrophobicContact CE3-CB 4Å; W309-P329 HydrophobicContact CE3-CG 4.26Å; W309-P329 HydrophobicContact CH2-CB 4.24Å; W309-P329 HydrophobicContact CZ3-CB 3.84Å; P329-K333 HydrophobicContact CB-CB 3.79Å; P329-K333 HydrophobicContact CB-CD 4.44Å; P329-Q334 HydrophobicContact CB-CG 4.14Å; P329-Q334 HydrophobicContact CG-CG 4.24Å; P329-Q334 PolarHBondContact O-NE2 3.5Å
330	D	96.8	Very high	96.5	Very high	74 Å²	74	58.2 Å²	58.2	40%	0.396	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-65.6	170	172.2	63.1	54.6	0	0	0	112.3	Y328 S332 K333 Q334	Y328-D330 PolarHBondContact O-N 3.42Å; D330-S332 PolarHBondContact O-N 2.99Å; D330-S332 VanDerWaalsContact O-N 3.08Å; D330-S332 WeakPolarHBondContact OD1-CA 3.47Å; D330-S332 WeakPolarHBondContact OD1-CB 3.41Å; D330-S332 PolarHBondContact OD1-N 3.37Å; D330-K333 PolarHBondContact O-N 3.04Å; D330-K333 PolarHBondContact OD1-N 3.38Å; D330-K333 IonicContact OD2-NZ 3.48Å; D330-K333 PolarHBondContact OD2-NZ 3.3Å; D330-Q334 VanDerWaalsContact O-CG 3.32Å; D330-Q334 WeakPolarHBondContact O-CG 3.24Å; D330-Q334 PolarHBondContact O-N 2.67Å
331	R	95.3	Very high	96.6	Very high	61 Å²	61	57.6 Å²	57.6	23%	0.23	28%	0.275	C	S	.	.	H	α-helix	trans	-54.3	-31.8	179.9	-64.2	-77.2	-86.8	119.8	-3.2	112.9	R335 D406 E407 W410	R331-R335 WeakPolarHBondContact O-CB 3.22Å; R331-R335 WeakPolarHBondContact O-CD 3.32Å; R331-R335 VanDerWaalsContact O-CG 3.22Å; R331-R335 WeakPolarHBondContact O-CG 3.23Å; R331-R335 PolarHBondContact O-N 3.44Å; R331-D406 IonicContact CZ-OD2 3.77Å; R331-D406 IonicContact NH1-OD1 3.85Å; R331-D406 IonicContact NH1-OD2 3.1Å; R331-D406 PolarHBondContact NH1-OD2 3.24Å; R331-D406 IonicContact NH2-OD2 2.75Å; R331-D406 PolarHBondContact NH2-OD2 2.92Å; R331-E407 IonicContact CZ-OE1 3.82Å; R331-E407 IonicContact NH2-OE1 2.7Å; R331-E407 PolarHBondContact NH2-OE1 2.9Å; R331-E407 IonicContact NH2-OE2 3.39Å; R331-W410 VanDerWaalsContact CD-NE1 3.29Å; R331-W410 VanDerWaalsContact CZ-CG 3.46Å; R331-W410 VanDerWaalsContact NH1-CB 3.3Å
332	S	95.9	Very high	96.6	Very high	86 Å²	86	57.7 Å²	57.7	60%	0.601	28%	0.275	S	S	*	.	H	α-helix	trans	-70.8	-43.3	178.8	-170	0	0	0	0	111.5	D330 R335 L336	D330-S332 PolarHBondContact O-N 2.99Å; D330-S332 VanDerWaalsContact O-N 3.08Å; D330-S332 WeakPolarHBondContact OD1-CA 3.47Å; D330-S332 WeakPolarHBondContact OD1-CB 3.41Å; D330-S332 PolarHBondContact OD1-N 3.37Å; S332-R335 PolarHBondContact O-N 3.22Å; S332-L336 PolarHBondContact O-N 2.96Å; S332-L336 VanDerWaalsContact O-N 3.11Å
333	K	97.7	Very high	96.4	Very high	83 Å²	83	56.4 Å²	56.4	36%	0.361	27%	0.273	S	S	.	.	H	α-helix	trans	-66.9	-43.9	175.4	-63.6	-169.1	-170.1	80.6	0	111.1	I150 W309 P329 D330 R335 L336 F337	I150-K333 HydrophobicContact CD1-CB 3.84Å; I150-K333 WeakPolarHBondContact CD1-O 3.21Å; W309-K333 HydrophobicContact CH2-CD 4.22Å; W309-K333 HydrophobicContact CZ3-CD 3.73Å; P329-K333 HydrophobicContact CB-CB 3.79Å; P329-K333 HydrophobicContact CB-CD 4.44Å; D330-K333 PolarHBondContact O-N 3.04Å; D330-K333 PolarHBondContact OD1-N 3.38Å; D330-K333 IonicContact OD2-NZ 3.48Å; D330-K333 PolarHBondContact OD2-NZ 3.3Å; K333-R335 VanDerWaalsContact C-N 3.31Å; K333-R335 PolarHBondContact O-N 2.97Å; K333-L336 WeakPolarHBondContact O-CB 3.44Å; K333-L336 PolarHBondContact O-N 3.31Å; K333-L336 VanDerWaalsContact O-N 3.08Å; K333-F337 PolarHBondContact O-N 2.96Å
334	Q	97.7	Very high	96.1	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.028	27%	0.265	C	S	.	.	H	α-helix	trans	-58.1	-42.2	176	-64.6	174.2	12.4	0	0	112	F306 P329 D330 L336 F337 W338	F306-Q334 HydrophobicContact CD2-CG 4.12Å; F306-Q334 HydrophobicContact CE2-CB 4.14Å; F306-Q334 HydrophobicContact CE2-CG 3.69Å; F306-Q334 HydrophobicContact CZ-CG 4.31Å; P329-Q334 HydrophobicContact CB-CG 4.14Å; P329-Q334 HydrophobicContact CG-CG 4.24Å; P329-Q334 PolarHBondContact O-NE2 3.5Å; D330-Q334 VanDerWaalsContact O-CG 3.32Å; D330-Q334 WeakPolarHBondContact O-CG 3.24Å; D330-Q334 PolarHBondContact O-N 2.67Å; Q334-L336 PolarHBondContact O-N 3.29Å; Q334-F337 WeakPolarHBondContact O-CB 3.47Å; Q334-F337 PolarHBondContact O-N 3.41Å; Q334-W338 VanDerWaalsContact O-CD1 3.25Å; Q334-W338 PolarHBondContact O-N 3.36Å
335	R	96.5	Very high	95.9	Very high	118 Å²	118	53 Å²	53	45%	0.445	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-41.5	173.8	-79.5	170.9	-174.8	153.8	0.8	112.9	R331 S332 K333 F337 W338 K339 D406	R331-R335 WeakPolarHBondContact O-CB 3.22Å; R331-R335 WeakPolarHBondContact O-CD 3.32Å; R331-R335 VanDerWaalsContact O-CG 3.22Å; R331-R335 WeakPolarHBondContact O-CG 3.23Å; R331-R335 PolarHBondContact O-N 3.44Å; S332-R335 PolarHBondContact O-N 3.22Å; K333-R335 VanDerWaalsContact C-N 3.31Å; K333-R335 PolarHBondContact O-N 2.97Å; R335-F337 VanDerWaalsContact C-N 3.34Å; R335-W338 PolarHBondContact O-N 3.46Å; R335-K339 VanDerWaalsContact O-CB 3.29Å; R335-K339 WeakPolarHBondContact O-CB 3.49Å; R335-K339 PolarHBondContact O-N 2.96Å; R335-D406 WeakPolarHBondContact CD-OD1 3.07Å; R335-D406 WeakPolarHBondContact CG-OD1 3.47Å; R335-D406 IonicContact CZ-OD1 3.34Å; R335-D406 IonicContact CZ-OD2 2.76Å; R335-D406 VanDerWaalsContact CZ-OD2 3.24Å; R335-D406 IonicContact NE-OD1 2.71Å; R335-D406 PolarHBondContact NE-OD1 3.3Å; R335-D406 IonicContact NE-OD2 3.25Å; R335-D406 PolarHBondContact NE-OD2 3.34Å; R335-D406 IonicContact NH2-OD2 2.77Å; R335-D406 PolarHBondContact NH2-OD2 3.01Å
336	L	96.4	Very high	95.6	Very high	66 Å²	66	54.6 Å²	54.6	35%	0.346	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-44.4	176.9	-179.4	60.8	0	0	0	111.1	I150 E151 S332 K333 Q334 A340	I150-L336 HydrophobicContact CD1-CB 4.38Å; I150-L336 HydrophobicContact CG2-CD2 3.59Å; I150-L336 HydrophobicContact CG2-CG 4.1Å; E151-L336 HydrophobicContact CG-CD1 3.87Å; E151-L336 HydrophobicContact CG-CD2 4.35Å; E151-L336 HydrophobicContact CG-CG 3.89Å; S332-L336 PolarHBondContact O-N 2.96Å; S332-L336 VanDerWaalsContact O-N 3.11Å; K333-L336 WeakPolarHBondContact O-CB 3.44Å; K333-L336 PolarHBondContact O-N 3.31Å; K333-L336 VanDerWaalsContact O-N 3.08Å; Q334-L336 PolarHBondContact O-N 3.29Å; L336-A340 PolarHBondContact O-N 3.35Å; L336-A340 VanDerWaalsContact O-N 3.14Å
337	F	97.9	Very high	95.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.6	-53.9	173.8	-174.4	-81.8	0	0	0	111.5	I150 A153 A154 M157 I302 H305 F306 K333 Q334 R335 K339 A340 Y341	I150-F337 HydrophobicContact CD1-CB 4.06Å; I150-F337 HydrophobicContact CG1-CB 3.88Å; I150-F337 HydrophobicContact CG1-CD2 3.96Å; I150-F337 HydrophobicContact CG1-CG 4.45Å; I150-F337 WeakPolarHBondContact O-CD2 2.99Å; A153-F337 HydrophobicContact CB-CE2 4.21Å; A154-F337 HydrophobicContact CB-CD1 4.12Å; A154-F337 HydrophobicContact CB-CD2 3.66Å; A154-F337 HydrophobicContact CB-CE1 4.15Å; A154-F337 HydrophobicContact CB-CE2 3.73Å; A154-F337 HydrophobicContact CB-CG 3.87Å; A154-F337 HydrophobicContact CB-CZ 3.97Å; A154-F337 WeakPolarHBondContact CB-O 3.32Å; M157-F337 HydrophobicContact CE-CZ 4.28Å; M157-F337 HydrophobicContact SD-CE1 4.39Å; M157-F337 HydrophobicContact SD-CZ 3.84Å; I302-F337 HydrophobicContact CB-CE1 4.5Å; I302-F337 HydrophobicContact CD1-CE1 4.27Å; I302-F337 HydrophobicContact CG1-CE1 3.96Å; I302-F337 HydrophobicContact CG1-CZ 4.48Å; I302-F337 HydrophobicContact CG2-CD1 4.32Å; I302-F337 HydrophobicContact CG2-CE1 3.93Å; H305-F337 AromaticContact CD2-CE2 3.71Å; F306-F337 HydrophobicContact CE1-CB 4.05Å; F306-F337 HydrophobicContact CE1-CD1 4.22Å; F306-F337 AromaticContact CE1-CD2 3.66Å; F306-F337 HydrophobicContact CE1-CD2 3.66Å; F306-F337 HydrophobicContact CE1-CE2 4.12Å; F306-F337 AromaticContact CE1-CG 3.71Å; F306-F337 HydrophobicContact CE1-CG 3.71Å; F306-F337 HydrophobicContact CZ-CB 3.69Å; F306-F337 AromaticContact CZ-CD1 3.78Å; F306-F337 HydrophobicContact CZ-CD1 3.78Å; F306-F337 HydrophobicContact CZ-CD2 4.02Å; F306-F337 HydrophobicContact CZ-CE1 4.44Å; F306-F337 AromaticContact CZ-CG 3.56Å; F306-F337 HydrophobicContact CZ-CG 3.56Å; K333-F337 PolarHBondContact O-N 2.96Å; Q334-F337 WeakPolarHBondContact O-CB 3.47Å; Q334-F337 PolarHBondContact O-N 3.41Å; R335-F337 VanDerWaalsContact C-N 3.34Å; F337-K339 VanDerWaalsContact C-N 3.3Å; F337-K339 PolarHBondContact O-N 2.83Å; F337-A340 PolarHBondContact O-N 3.27Å; F337-Y341 HydrophobicContact CE1-CD2 4.22Å; F337-Y341 VanDerWaalsContact O-CB 3.31Å; F337-Y341 WeakPolarHBondContact O-CB 3.43Å; F337-Y341 PolarHBondContact O-N 2.95Å
338	W	97.5	Very high	93.9	Very high	10 Å²	10	51.3 Å²	51.3	4%	0.038	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-39.8	-179.1	-84.4	115.5	0	0	0	112.7	I302 Q334 R335 Y341 L342 L409 T413	I302-W338 HydrophobicContact CD1-CE3 4.32Å; I302-W338 HydrophobicContact CD1-CH2 3.21Å; I302-W338 HydrophobicContact CD1-CZ2 3.64Å; I302-W338 HydrophobicContact CD1-CZ3 3.58Å; I302-W338 HydrophobicContact CG2-CZ2 4.21Å; Q334-W338 VanDerWaalsContact O-CD1 3.25Å; Q334-W338 PolarHBondContact O-N 3.36Å; R335-W338 PolarHBondContact O-N 3.46Å; W338-Y341 AromaticContact CE3-CD1 3.97Å; W338-Y341 HydrophobicContact CE3-CD1 3.97Å; W338-Y341 HydrophobicContact CE3-CG 4.46Å; W338-Y341 AromaticContact CZ3-CD1 3.92Å; W338-Y341 HydrophobicContact CZ3-CD1 3.92Å; W338-Y341 HydrophobicContact CZ3-CE1 4.09Å; W338-Y341 PolarHBondContact O-N 2.8Å; W338-L342 HydrophobicContact CE3-CD1 4.34Å; W338-L342 HydrophobicContact CE3-CG 4.24Å; W338-L342 WeakPolarHBondContact O-CB 3.26Å; W338-L342 WeakPolarHBondContact O-CG 3.21Å; W338-L342 PolarHBondContact O-N 2.72Å; W338-L409 HydrophobicContact CB-CD1 4.14Å; W338-L409 HydrophobicContact CD2-CB 4.14Å; W338-L409 HydrophobicContact CD2-CD1 4.08Å; W338-L409 HydrophobicContact CD2-CD2 4.06Å; W338-L409 HydrophobicContact CD2-CG 4.32Å; W338-L409 HydrophobicContact CE3-CD1 4.28Å; W338-L409 HydrophobicContact CE3-CD2 3.85Å; W338-L409 HydrophobicContact CG-CB 4.27Å; W338-L409 HydrophobicContact CG-CD1 4.03Å; W338-L409 HydrophobicContact CH2-CD2 3.94Å; W338-L409 HydrophobicContact CZ2-CB 4.35Å; W338-L409 HydrophobicContact CZ2-CD2 4.17Å; W338-L409 HydrophobicContact CZ3-CD2 3.8Å; W338-L409 PolarHBondContact NE1-O 3.03Å; W338-T413 PolarHBondContact NE1-OG1 3.5Å
339	K	95.6	Very high	92.2	Very high	142 Å²	142	53.1 Å²	53.1	62%	0.617	28%	0.277	S	S	*	.	H	α-helix	trans	-59.5	-51.3	175.3	-178.6	-179	175.9	-172.1	0	111.3	R335 F337 I343	R335-K339 VanDerWaalsContact O-CB 3.29Å; R335-K339 WeakPolarHBondContact O-CB 3.49Å; R335-K339 PolarHBondContact O-N 2.96Å; F337-K339 VanDerWaalsContact C-N 3.3Å; F337-K339 PolarHBondContact O-N 2.83Å; K339-I343 HydrophobicContact CG-CD1 4.05Å; K339-I343 WeakPolarHBondContact O-CD1 3.41Å; K339-I343 WeakPolarHBondContact O-CG1 3.26Å; K339-I343 PolarHBondContact O-N 3.2Å; K339-I343 VanDerWaalsContact O-N 3.15Å
340	A	94.6	Very high	90.1	Very high	2 Å²	2	62 Å²	62	2%	0.017	32%	0.318	C	S	.	.	H	α-helix	trans	-64.6	-40.8	178.8	0	0	0	0	0	112.1	E151 A154 R155 L336 F337 E344	E151-A340 HydrophobicContact CB-CB 3.87Å; E151-A340 HydrophobicContact CG-CB 3.99Å; A154-A340 HydrophobicContact CB-CB 3.78Å; R155-A340 HydrophobicContact CG-CB 4.46Å; L336-A340 PolarHBondContact O-N 3.35Å; L336-A340 VanDerWaalsContact O-N 3.14Å; F337-A340 PolarHBondContact O-N 3.27Å; A340-E344 PolarHBondContact O-N 3.44Å
341	Y	96	Very high	87.8	Confident	7 Å²	7	60.9 Å²	60.9	3%	0.027	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-50.4	176.9	177.4	-82.9	0	0	0	111.5	M157 A158 H161 I302 F337 W338 E344 A345	M157-Y341 HydrophobicContact CG-CE2 4.31Å; A158-Y341 HydrophobicContact CB-CD2 3.63Å; A158-Y341 HydrophobicContact CB-CE2 3.75Å; A158-Y341 HydrophobicContact CB-CG 4.05Å; A158-Y341 WeakPolarHBondContact CB-O 3.31Å; H161-Y341 AromaticContact CE1-CE2 4Å; H161-Y341 AromaticContact ND1-CE2 3.41Å; H161-Y341 WeakPolarHBondContact ND1-CE2 3.26Å; H161-Y341 AromaticContact ND1-CZ 3.51Å; H161-Y341 PolarHBondContact ND1-OH 2.99Å; I302-Y341 HydrophobicContact CD1-CD2 4.42Å; I302-Y341 HydrophobicContact CD1-CE2 4.24Å; F337-Y341 HydrophobicContact CE1-CD2 4.22Å; F337-Y341 VanDerWaalsContact O-CB 3.31Å; F337-Y341 WeakPolarHBondContact O-CB 3.43Å; F337-Y341 PolarHBondContact O-N 2.95Å; W338-Y341 AromaticContact CE3-CD1 3.97Å; W338-Y341 HydrophobicContact CE3-CD1 3.97Å; W338-Y341 HydrophobicContact CE3-CG 4.46Å; W338-Y341 AromaticContact CZ3-CD1 3.92Å; W338-Y341 HydrophobicContact CZ3-CD1 3.92Å; W338-Y341 HydrophobicContact CZ3-CE1 4.09Å; W338-Y341 PolarHBondContact O-N 2.8Å; Y341-E344 PolarHBondContact O-N 2.94Å; Y341-A345 HydrophobicContact CD1-CB 4.29Å; Y341-A345 HydrophobicContact CE1-CB 3.95Å; Y341-A345 VanDerWaalsContact O-CB 3.29Å; Y341-A345 WeakPolarHBondContact O-CB 3.34Å; Y341-A345 PolarHBondContact O-N 3.23Å
342	L	94.9	Very high	85.5	Confident	9 Å²	9	65.3 Å²	65.3	5%	0.047	34%	0.34	C	S	.	.	H	α-helix	trans	-70.5	-33.8	-175	-68.8	168.4	0	0	0	112.5	W338 E344 A345 N346 Y404 L409	W338-L342 HydrophobicContact CE3-CD1 4.34Å; W338-L342 HydrophobicContact CE3-CG 4.24Å; W338-L342 WeakPolarHBondContact O-CB 3.26Å; W338-L342 WeakPolarHBondContact O-CG 3.21Å; W338-L342 PolarHBondContact O-N 2.72Å; L342-E344 VanDerWaalsContact C-N 3.31Å; L342-E344 PolarHBondContact O-N 3.5Å; L342-A345 PolarHBondContact O-N 3.33Å; L342-N346 VanDerWaalsContact O-CB 3.3Å; L342-N346 WeakPolarHBondContact O-CB 3.28Å; L342-N346 PolarHBondContact O-N 2.98Å; L342-N346 PolarHBondContact O-ND2 2.93Å; L342-Y404 HydrophobicContact CB-CE2 3.92Å; L342-Y404 HydrophobicContact CD1-CD1 3.78Å; L342-Y404 HydrophobicContact CD1-CD2 3.45Å; L342-Y404 VanDerWaalsContact CD1-CD2 3.45Å; L342-Y404 HydrophobicContact CD1-CE1 4.02Å; L342-Y404 HydrophobicContact CD1-CE2 3.67Å; L342-Y404 HydrophobicContact CD1-CG 3.52Å; L342-Y404 HydrophobicContact CD2-CE1 4.37Å; L342-Y404 HydrophobicContact CG-CE2 4.37Å; L342-L409 HydrophobicContact CD1-CD1 3.79Å
343	I	91.7	Very high	82.8	Confident	78 Å²	78	69.7 Å²	69.7	40%	0.4	35%	0.351	S	S	.	.	H	α-helix	trans	-57.8	-45.8	171.4	-72	166.7	0	0	0	110.4	K339 S347	K339-I343 HydrophobicContact CG-CD1 4.05Å; K339-I343 WeakPolarHBondContact O-CD1 3.41Å; K339-I343 WeakPolarHBondContact O-CG1 3.26Å; K339-I343 PolarHBondContact O-N 3.2Å; K339-I343 VanDerWaalsContact O-N 3.15Å; I343-S347 PolarHBondContact O-N 2.85Å
344	E	91.2	Very high	80.3	Confident	30 Å²	30	67.6 Å²	67.6	14%	0.14	34%	0.342	C	S	.	.	H	α-helix	trans	-76.3	-39	-179.3	-174.5	56.4	-130.7	0	0	112.5	R155 A158 K162 A340 Y341 L342 N346 S347 F361	R155-E344 HydrophobicContact CB-CB 4.32Å; R155-E344 HydrophobicContact CB-CG 4.23Å; R155-E344 HydrophobicContact CG-CB 4.16Å; A158-E344 HydrophobicContact CB-CB 3.79Å; A158-E344 HydrophobicContact CB-CG 3.88Å; K162-E344 PolarHBondContact NZ-O 3.14Å; K162-E344 VanDerWaalsContact NZ-O 3.08Å; A340-E344 PolarHBondContact O-N 3.44Å; Y341-E344 PolarHBondContact O-N 2.94Å; L342-E344 VanDerWaalsContact C-N 3.31Å; L342-E344 PolarHBondContact O-N 3.5Å; E344-N346 VanDerWaalsContact C-N 3.31Å; E344-N346 PolarHBondContact O-N 3.13Å; E344-S347 WeakPolarHBondContact O-CB 3.29Å; E344-S347 PolarHBondContact O-N 3.47Å; E344-S347 PolarHBondContact O-OG 2.67Å; E344-S347 PolarHBondContact OE1-OG 3.2Å; E344-F361 HydrophobicContact CG-CE1 4.39Å
345	A	92	Very high	77.8	Confident	27 Å²	27	71 Å²	71	22%	0.223	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-41.9	177.2	0	0	0	0	0	111.5	A158 Y341 L342 S347	A158-A345 HydrophobicContact CB-CB 4.29Å; Y341-A345 HydrophobicContact CD1-CB 4.29Å; Y341-A345 HydrophobicContact CE1-CB 3.95Å; Y341-A345 VanDerWaalsContact O-CB 3.29Å; Y341-A345 WeakPolarHBondContact O-CB 3.34Å; Y341-A345 PolarHBondContact O-N 3.23Å; L342-A345 PolarHBondContact O-N 3.33Å; A345-S347 VanDerWaalsContact C-N 3.34Å
346	N	90.5	Very high	75.8	Confident	81 Å²	81	68.9 Å²	68.9	43%	0.433	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	2.6	-179.6	-63.7	-34	0	0	0	113.6	L342 E344 V348 Y404	L342-N346 VanDerWaalsContact O-CB 3.3Å; L342-N346 WeakPolarHBondContact O-CB 3.28Å; L342-N346 PolarHBondContact O-N 2.98Å; L342-N346 PolarHBondContact O-ND2 2.93Å; E344-N346 VanDerWaalsContact C-N 3.31Å; E344-N346 PolarHBondContact O-N 3.13Å; N346-V348 PolarHBondContact O-N 2.99Å; N346-Y404 PolarHBondContact ND2-OH 3.38Å
347	S	86	Confident	73.8	Confident	33 Å²	33	68.8 Å²	68.8	23%	0.231	35%	0.349	C	S	.	.			trans	-65	120	176.3	78.6	0	0	0	0	110	K162 I343 E344 A345 V349	K162-S347 PolarHBondContact NZ-O 2.88Å; K162-S347 PolarHBondContact NZ-OG 2.93Å; I343-S347 PolarHBondContact O-N 2.85Å; E344-S347 WeakPolarHBondContact O-CB 3.29Å; E344-S347 PolarHBondContact O-N 3.47Å; E344-S347 PolarHBondContact O-OG 2.67Å; E344-S347 PolarHBondContact OE1-OG 3.2Å; A345-S347 VanDerWaalsContact C-N 3.34Å; S347-V349 PolarHBondContact O-N 2.89Å
348	V	72.9	Confident	71.5	Confident	144 Å²	144	72.6 Å²	72.6	87%	0.873	37%	0.37	S	S	*	.			trans	-74.3	-19.7	179.1	-176.3	0	0	0	0	111.4	N346 E350	N346-V348 PolarHBondContact O-N 2.99Å; V348-E350 PolarHBondContact O-N 2.94Å
349	V	60.9	Low	69.2	Low	58 Å²	58	72.1 Å²	72.1	35%	0.352	37%	0.368	S	S	.	.			trans	-81.4	106.8	-180	-160.7	0	0	0	0	108.1	S347 N351 F395	S347-V349 PolarHBondContact O-N 2.89Å; V349-N351 HydrophobicContact CG1-CB 4.12Å; V349-N351 WeakPolarHBondContact CG1-OD1 3.35Å; V349-N351 PolarHBondContact O-N 3.48Å; V349-F395 HydrophobicContact CG2-CE1 3.93Å; V349-F395 HydrophobicContact CG2-CZ 3.95Å
350	E	53.8	Low	67.1	Low	188 Å²	188	67.8 Å²	67.8	88%	0.879	35%	0.351	S	S	*	.			trans	-64.2	73.7	155.8	-72.3	-173.4	165	0	0	107.5	V348 D352	V348-E350 PolarHBondContact O-N 2.94Å; E350-D352 PolarHBondContact O-N 3.29Å
351	N	48.5	Very low	65.1	Low	50 Å²	50	68 Å²	68	27%	0.267	35%	0.352	S	S	.	.			trans	-72.2	85	-179.7	-95.7	-35.1	0	0	0	108.3	V349 H353 F354	V349-N351 HydrophobicContact CG1-CB 4.12Å; V349-N351 WeakPolarHBondContact CG1-OD1 3.35Å; V349-N351 PolarHBondContact O-N 3.48Å; N351-H353 PolarHBondContact O-N 2.79Å; N351-F354 HydrophobicContact CB-CD2 3.57Å; N351-F354 HydrophobicContact CB-CE2 4.07Å; N351-F354 PolarHBondContact O-N 2.96Å
352	D	47.7	Very low	62.7	Low	153 Å²	153	69.9 Å²	69.9	82%	0.818	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-13.8	163.7	-147.3	23.1	0	0	0	111.1	E350	E350-D352 PolarHBondContact O-N 3.29Å
353	H	39.6	Very low	60	Low	179 Å²	179	74.3 Å²	74.3	83%	0.829	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-21.9	172	-86.6	-22.8	0	0	0	115.4	N351 N355	N351-H353 PolarHBondContact O-N 2.79Å; H353-N355 VanDerWaalsContact C-N 3.27Å; H353-N355 PolarHBondContact O-N 2.9Å; H353-N355 VanDerWaalsContact O-N 3.15Å
354	F	44.8	Very low	57.5	Low	39 Å²	39	75 Å²	75	17%	0.171	40%	0.401	C	S	.	.	S	Bend	trans	-84.8	84.4	161.4	-65.7	-63.7	0	0	0	106.2	N351 K356 N360 C363	N351-F354 HydrophobicContact CB-CD2 3.57Å; N351-F354 HydrophobicContact CB-CE2 4.07Å; N351-F354 PolarHBondContact O-N 2.96Å; F354-K356 VanDerWaalsContact C-N 3.29Å; F354-K356 PolarHBondContact O-N 3.31Å; F354-N360 HydrophobicContact CD1-CB 4.12Å; F354-N360 WeakPolarHBondContact CD1-O 3.27Å; F354-N360 WeakPolarHBondContact CE1-O 3.37Å; F354-C363 HydrophobicContact CE1-CB 4.41Å
355	N	45.2	Very low	54.7	Low	77 Å²	77	79.8 Å²	79.8	41%	0.412	43%	0.427	S	S	.	.			trans	-44.8	103.7	165.1	-107.2	-28.3	0	0	0	105.9	H353 R357 N358	H353-N355 VanDerWaalsContact C-N 3.27Å; H353-N355 PolarHBondContact O-N 2.9Å; H353-N355 VanDerWaalsContact O-N 3.15Å; N355-R357 PolarHBondContact O-N 3.06Å; N355-N358 HydrophobicContact CB-CB 3.87Å; N355-N358 PolarHBondContact O-N 2.75Å
356	K	54.2	Low	51.7	Low	73 Å²	73	85.9 Å²	85.9	32%	0.317	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-56.4	-25.2	-171.8	-69.4	-178.7	177.6	-177.6	0	111	I119 S159 F354	I119-K356 HydrophobicContact CD1-CD 4.25Å; I119-K356 HydrophobicContact CG1-CB 4.25Å; I119-K356 HydrophobicContact CG1-CD 3.9Å; S159-K356 WeakPolarHBondContact OG-CE 3.32Å; F354-K356 VanDerWaalsContact C-N 3.29Å; F354-K356 PolarHBondContact O-N 3.31Å
357	R	54.5	Low	48.8	Very low	64 Å²	64	89.7 Å²	89.7	24%	0.242	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-72	-26.5	172.8	-147.6	163.6	143.4	150.7	-15.7	116.6	K118 G120 E134 L274 L286 N355 G359	K118-R357 WeakPolarHBondContact O-CB 3.29Å; K118-R357 PolarHBondContact O-N 3.1Å; G120-R357 PolarHBondContact O-NH1 2.96Å; E134-R357 IonicContact OE1-CZ 2.88Å; E134-R357 IonicContact OE1-NH2 3.66Å; E134-R357 PolarHBondContact OE1-NH2 3.15Å; E134-R357 IonicContact OE2-CZ 2.91Å; E134-R357 IonicContact OE2-NH1 3.86Å; E134-R357 PolarHBondContact OE2-NH1 2.91Å; E134-R357 VanDerWaalsContact OE2-NH1 3.1Å; E134-R357 IonicContact OE2-NH2 3Å; E134-R357 PolarHBondContact OE2-NH2 2.62Å; L274-R357 WeakPolarHBondContact CD1-O 3.28Å; L286-R357 HydrophobicContact CD1-CG 4.4Å; N355-R357 PolarHBondContact O-N 3.06Å; R357-G359 VanDerWaalsContact C-N 3.35Å
358	N	49.9	Very low	46.1	Very low	80 Å²	80	94.4 Å²	94.4	43%	0.428	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-92.6	8.8	-176.2	-72.9	5	0	0	0	112.8	R284 N355 N360	R284-N358 WeakPolarHBondContact CD-O 3.4Å; R284-N358 WeakPolarHBondContact CG-O 3.44Å; R284-N358 PolarHBondContact NE-O 2.79Å; N355-N358 HydrophobicContact CB-CB 3.87Å; N355-N358 PolarHBondContact O-N 2.75Å; N358-N360 PolarHBondContact O-N 2.88Å
359	G	49.5	Very low	44	Very low	0 Å²	0	95.5 Å²	95.5	0%	0	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	31.2	176.2	0	0	0	0	0	114.4	R357 F361	R357-G359 VanDerWaalsContact C-N 3.35Å; G359-F361 VanDerWaalsContact C-N 3.25Å; G359-F361 PolarHBondContact O-N 2.67Å; G359-F361 VanDerWaalsContact O-N 3.13Å
360	N	50.5	Low	42.7	Very low	51 Å²	51	98.2 Å²	98.2	27%	0.273	51%	0.506	S	S	.	.			trans	-88.5	30.5	-163.2	-121.9	27.5	0	0	0	113.1	R284 F354 N358 N362	R284-N360 PolarHBondContact NH2-OD1 3.38Å; F354-N360 HydrophobicContact CD1-CB 4.12Å; F354-N360 WeakPolarHBondContact CD1-O 3.27Å; F354-N360 WeakPolarHBondContact CE1-O 3.37Å; N358-N360 PolarHBondContact O-N 2.88Å; N360-N362 PolarHBondContact O-N 2.87Å
361	F	53.5	Low	41.4	Very low	6 Å²	6	95.3 Å²	95.3	3%	0.026	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	12.3	179.7	-68.7	-81.5	0	0	0	114.6	R155 H156 E344 G359	R155-F361 HydrophobicContact CB-CB 4.09Å; R155-F361 HydrophobicContact CB-CD1 3.8Å; R155-F361 HydrophobicContact CB-CE1 4.39Å; R155-F361 HydrophobicContact CB-CG 3.93Å; H156-F361 HydrophobicContact CB-CE2 4.44Å; H156-F361 AromaticContact CD2-CD2 3.34Å; H156-F361 WeakPolarHBondContact CD2-CD2 3.31Å; H156-F361 AromaticContact CD2-CE2 3.6Å; H156-F361 AromaticContact CE1-CD2 3.72Å; H156-F361 AromaticContact CE1-CE2 3.48Å; H156-F361 VanDerWaalsContact CE1-CE2 3.48Å; H156-F361 WeakPolarHBondContact CE1-CE2 3.26Å; H156-F361 AromaticContact CG-CD2 3.84Å; H156-F361 AromaticContact CG-CE2 3.59Å; H156-F361 AromaticContact ND1-CE2 3.5Å; H156-F361 WeakPolarHBondContact ND1-CE2 3.31Å; H156-F361 AromaticContact NE2-CD2 3.26Å; H156-F361 VanDerWaalsContact NE2-CD2 3.26Å; H156-F361 WeakPolarHBondContact NE2-CD2 3.39Å; H156-F361 AromaticContact NE2-CE2 3.53Å; E344-F361 HydrophobicContact CG-CE1 4.39Å; G359-F361 VanDerWaalsContact C-N 3.25Å; G359-F361 PolarHBondContact O-N 2.67Å; G359-F361 VanDerWaalsContact O-N 3.13Å
362	N	46	Very low	40.6	Very low	48 Å²	48	99.2 Å²	99.2	26%	0.257	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	6.7	-168.3	-61.5	-25.5	0	0	0	115	F282 Y283 N360 V364	F282-N362 VanDerWaalsContact CD2-ND2 3.29Å; F282-N362 WeakPolarHBondContact CD2-ND2 3.32Å; Y283-N362 PolarHBondContact O-ND2 3.49Å; N360-N362 PolarHBondContact O-N 2.87Å; N362-V364 PolarHBondContact O-N 2.84Å; N362-V364 VanDerWaalsContact O-N 3.16Å
363	C	38.1	Very low	39.7	Very low	102 Å²	102	97.8 Å²	97.8	69%	0.689	52%	0.524	S	S	*	.			trans	-80.8	21.8	175.7	-74.6	0	0	0	0	114.4	F354	F354-C363 HydrophobicContact CE1-CB 4.41Å
364	V	38.9	Very low	39.3	Very low	93 Å²	93	94.9 Å²	94.9	56%	0.564	52%	0.519	S	S	*	.	S	Bend	trans	-123.8	75	174.9	-166.4	0	0	0	0	107.3	N362	N362-V364 PolarHBondContact O-N 2.84Å; N362-V364 VanDerWaalsContact O-N 3.16Å
365	D	32.2	Very low	38.7	Very low	130 Å²	130	98.6 Å²	98.6	70%	0.695	55%	0.545	S	S	*	.			trans	173.1	82.6	151.2	-82.4	-22.7	0	0	0	110.4
366	N	29	Very low	37.9	Very low	155 Å²	155	100.5 Å²	100.5	83%	0.829	56%	0.56	S	S	*	*			trans	-141.9	63.9	153.6	-95.5	-21.4	0	0	0	106.9
367	Y	28.5	Very low	37	Very low	160 Å²	160	104 Å²	104	63%	0.627	59%	0.588	S	S	*	*			trans	-90.8	90.2	158.7	-94.2	-80.7	0	0	0	107.2	N369	Y367-N369 PolarHBondContact O-N 2.86Å; Y367-N369 VanDerWaalsContact O-N 3.14Å
368	D	30.3	Very low	35.8	Very low	132 Å²	132	106.8 Å²	106.8	71%	0.706	61%	0.612	S	S	*	*			trans	-56.8	114.8	170.9	-87.2	-38.8	0	0	0	110.1	T370	D368-T370 PolarHBondContact O-N 3.09Å
369	N	27.8	Very low	35.1	Very low	168 Å²	168	109 Å²	109	90%	0.898	63%	0.628	S	S	*	*			trans	-66.3	85.1	158.1	-83.2	-38.9	0	0	0	108.8	Y367	Y367-N369 PolarHBondContact O-N 2.86Å; Y367-N369 VanDerWaalsContact O-N 3.14Å
370	T	33.3	Very low	34.4	Very low	114 Å²	114	115.6 Å²	115.6	70%	0.699	66%	0.664	S	S	*	*			trans	-132.3	103.8	161.3	43.3	0	0	0	0	110.9	D368	D368-T370 PolarHBondContact O-N 3.09Å
371	T	27.4	Very low	33.9	Very low	128 Å²	128	119.6 Å²	119.6	79%	0.785	69%	0.685	S	S	*	*			trans	-7	132.1	142.3	-37.2	0	0	0	0	114.3
372	T	31.9	Very low	33.1	Very low	131 Å²	131	125.3 Å²	125.3	80%	0.804	72%	0.716	S	S	*	*				176.2	128.7	111.2	-56	0	0	0	0	111.4
373	T	27.8	Very low	32.7	Very low	123 Å²	123	129.1 Å²	129.1	76%	0.755	74%	0.736	S	S	*	*			trans	-53.9	161.8	170	-28.4	0	0	0	0	113.3
374	T	32.5	Very low	32.5	Very low	118 Å²	118	130.4 Å²	130.4	72%	0.724	74%	0.736	S	S	*	*			trans	115.2	97.5	145	-26.4	0	0	0	0	117.8
375	T	30.8	Very low	32.4	Very low	117 Å²	117	132.5 Å²	132.5	72%	0.718	74%	0.744	S	S	*	*			trans	21.3	120.5	137	23.3	0	0	0	0	122.7
376	T	29.6	Very low	32.6	Very low	117 Å²	117	133.2 Å²	133.2	72%	0.718	75%	0.748	S	S	*	*			trans	37.8	118.4	131.8	48.9	0	0	0	0	120.3
377	T	34.2	Very low	32.8	Very low	147 Å²	147	132.8 Å²	132.8	90%	0.902	75%	0.746	S	S	*	*				-172.7	149.2	112.9	14	0	0	0	0	113.2
378	T	30.5	Very low	33	Very low	122 Å²	122	131.5 Å²	131.5	75%	0.748	75%	0.75	S	S	*	*			trans	-74.7	143.2	-171.4	-12.7	0	0	0	0	113.9
379	T	35.7	Very low	33.1	Very low	126 Å²	126	131.9 Å²	131.9	77%	0.773	75%	0.752	S	S	*	*				154.9	124.8	118.2	37.8	0	0	0	0	115.1
380	N	34.9	Very low	33.2	Very low	140 Å²	140	132.6 Å²	132.6	75%	0.749	75%	0.75	S	S	*	*			trans	30.2	120.7	137.9	-69.8	-0.8	0	0	0	121.4
381	N	38.5	Very low	33	Very low	134 Å²	134	134.3 Å²	134.3	72%	0.717	76%	0.755	S	S	*	*				168.1	131.4	89.9	-102.5	-18.8	0	0	0	113.8
382	N	36.7	Very low	33.1	Very low	127 Å²	127	133.9 Å²	133.9	68%	0.679	75%	0.752	S	S	*	*			trans	60.4	117.4	137.3	-69.1	-5.9	0	0	0	123.7
383	N	37.6	Very low	33.1	Very low	128 Å²	128	132.6 Å²	132.6	68%	0.684	74%	0.743	S	S	*	*				108.3	116.4	123.1	-74.8	-1.9	0	0	0	120.1
384	N	35	Very low	33	Very low	129 Å²	129	137.4 Å²	137.4	69%	0.69	75%	0.748	S	S	*	*			trans	75.8	100.7	136.4	-66.3	-2.6	0	0	0	119.2
385	N	35.9	Very low	33.1	Very low	137 Å²	137	137.6 Å²	137.6	73%	0.733	74%	0.739	S	S	*	*				159.1	139.1	96.6	-88.3	-21.1	0	0	0	112.9
386	N	36.6	Very low	33.1	Very low	144 Å²	144	136.2 Å²	136.2	77%	0.77	73%	0.734	S	S	*	*			trans	82.5	85.9	151.9	-59.2	-11.9	0	0	0	120.8
387	N	33.5	Very low	33.3	Very low	146 Å²	146	136.1 Å²	136.1	78%	0.781	73%	0.729	S	S	*	*				18.5	107.2	118.3	-67.2	-1	0	0	0	117.9
388	N	32.5	Very low	33.4	Very low	134 Å²	134	136.8 Å²	136.8	72%	0.717	72%	0.722	S	S	*	*				159.9	134.4	82.6	-95.3	-0.7	0	0	0	111
389	D	33.6	Very low	33.8	Very low	140 Å²	140	137.5 Å²	137.5	75%	0.749	72%	0.72	S	S	*	*			trans	74.6	63.9	158.1	-53.8	-24.7	0	0	0	119.5
390	Q	28.5	Very low	34	Very low	183 Å²	183	138.8 Å²	138.8	86%	0.855	72%	0.717	S	S	*	*			trans	-93	87	148.5	-76.4	-176.1	-16.1	0	0	109.9
391	N	29.5	Very low	34.4	Very low	149 Å²	149	139 Å²	139	80%	0.797	72%	0.718	S	S	*	*			trans	-98.9	69.6	160.6	-87.4	-21.9	0	0	0	109.2	V393	N391-V393 PolarHBondContact O-N 2.88Å
392	V	28.6	Very low	35	Very low	120 Å²	120	139.5 Å²	139.5	73%	0.727	72%	0.716	S	S	*	*			trans	-80.2	91.6	167.4	-179.5	0	0	0	0	107.1	R394	V392-R394 PolarHBondContact O-N 3.5Å; V392-R394 VanDerWaalsContact O-N 3.09Å
393	V	32.2	Very low	36.1	Very low	103 Å²	103	142.8 Å²	142.8	62%	0.624	73%	0.727	S	S	*	*			trans	-67.2	106.1	171.6	178.9	0	0	0	0	107.8	N391 F395	N391-V393 PolarHBondContact O-N 2.88Å; V393-F395 HydrophobicContact CG1-CD2 4.36Å; V393-F395 HydrophobicContact CG1-CE2 4.09Å; V393-F395 HydrophobicContact CG1-CZ 4.4Å; V393-F395 PolarHBondContact O-N 3.37Å
394	R	26	Very low	37.7	Very low	224 Å²	224	140.9 Å²	140.9	85%	0.845	71%	0.711	S	S	*	*			trans	-64.5	99.9	170.3	-74.1	178.6	174.9	178.1	-2.3	108.7	V392 S396	V392-R394 PolarHBondContact O-N 3.5Å; V392-R394 VanDerWaalsContact O-N 3.09Å; R394-S396 PolarHBondContact O-N 2.95Å; R394-S396 VanDerWaalsContact O-N 3.13Å
395	F	35.1	Very low	40.2	Very low	123 Å²	123	138.9 Å²	138.9	54%	0.539	70%	0.701	S	S	.	*			trans	-71.4	104.8	162.1	-78	-81.8	0	0	0	108	V349 V393	V349-F395 HydrophobicContact CG2-CE1 3.93Å; V349-F395 HydrophobicContact CG2-CZ 3.95Å; V393-F395 HydrophobicContact CG1-CD2 4.36Å; V393-F395 HydrophobicContact CG1-CE2 4.09Å; V393-F395 HydrophobicContact CG1-CZ 4.4Å; V393-F395 PolarHBondContact O-N 3.37Å
396	S	30.6	Very low	42.7	Very low	88 Å²	88	134.3 Å²	134.3	62%	0.615	68%	0.676	S	S	*	*			trans	-60.3	130.6	171.9	40.6	0	0	0	0	110.9	R394 H398	R394-S396 PolarHBondContact O-N 2.95Å; R394-S396 VanDerWaalsContact O-N 3.13Å; S396-H398 PolarHBondContact O-N 3.39Å
397	N	34.4	Very low	45.3	Very low	114 Å²	114	132.2 Å²	132.2	61%	0.61	66%	0.661	S	S	*	*	S	Bend	trans	-62.8	56.9	170.6	-77.6	-20.5	0	0	0	113.1
398	H	36.2	Very low	48.2	Very low	162 Å²	162	129 Å²	129	75%	0.75	64%	0.644	S	S	*	*			trans	-122.3	13.2	-176.3	-78.3	-18.9	0	0	0	115.6	S396 H400	S396-H398 PolarHBondContact O-N 3.39Å; H398-H400 PolarHBondContact O-N 3.38Å
399	L	38.4	Very low	51.2	Low	136 Å²	136	123.3 Å²	123.3	71%	0.712	61%	0.613	S	S	*	*			trans	-86.4	61.4	156.1	-85.4	143.8	0	0	0	109.3
400	H	40.1	Very low	54.2	Low	153 Å²	153	118.1 Å²	118.1	71%	0.708	58%	0.583	S	S	*	*			trans	-87	116.6	166.2	-103.3	-38	0	0	0	108.3	H398	H398-H400 PolarHBondContact O-N 3.38Å
401	N	42.5	Very low	57.4	Low	145 Å²	145	109.7 Å²	109.7	78%	0.775	54%	0.544	S	S	*	.			trans	62.2	58.1	152.9	-58.7	-3.7	0	0	0	118.4	E403	N401-E403 PolarHBondContact O-N 3.2Å
402	E	51.1	Low	60.6	Low	144 Å²	144	102.6 Å²	102.6	67%	0.673	51%	0.506	S	S	*	.			trans	-77.8	106.9	138.9	-77.5	-173.4	171.1	0	0	106.3	Y404	E402-Y404 WeakPolarHBondContact O-CD2 3.36Å; E402-Y404 PolarHBondContact O-N 2.91Å
403	E	59.6	Low	63.9	Low	196 Å²	196	96.9 Å²	96.9	92%	0.916	47%	0.471	S	S	*	.			trans	-70.5	84.1	178.4	-155	170.6	-148.3	0	0	107.2	N401 D405	N401-E403 PolarHBondContact O-N 3.2Å; E403-D405 PolarHBondContact O-N 3.1Å
404	Y	72.8	Confident	67	Low	89 Å²	89	92 Å²	92	35%	0.349	44%	0.442	S	S	.	.			trans	-56.5	138.2	171.4	-59.6	-73.9	0	0	0	108.6	L342 N346 E402 D406	L342-Y404 HydrophobicContact CB-CE2 3.92Å; L342-Y404 HydrophobicContact CD1-CD1 3.78Å; L342-Y404 HydrophobicContact CD1-CD2 3.45Å; L342-Y404 VanDerWaalsContact CD1-CD2 3.45Å; L342-Y404 HydrophobicContact CD1-CE1 4.02Å; L342-Y404 HydrophobicContact CD1-CE2 3.67Å; L342-Y404 HydrophobicContact CD1-CG 3.52Å; L342-Y404 HydrophobicContact CD2-CE1 4.37Å; L342-Y404 HydrophobicContact CG-CE2 4.37Å; N346-Y404 PolarHBondContact ND2-OH 3.38Å; E402-Y404 WeakPolarHBondContact O-CD2 3.36Å; E402-Y404 PolarHBondContact O-N 2.91Å; Y404-D406 VanDerWaalsContact C-N 3.34Å; Y404-D406 PolarHBondContact O-N 3.33Å
405	D	85.7	Confident	70.4	Confident	87 Å²	87	81.3 Å²	81.3	47%	0.465	40%	0.401	S	S	.	.			trans	-67.7	96.7	176.7	-171.2	-26.1	0	0	0	109.1	E403 E407 I408 L409	E403-D405 PolarHBondContact O-N 3.1Å; D405-E407 PolarHBondContact O-N 3.4Å; D405-E407 WeakPolarHBondContact OD1-CB 3.41Å; D405-E407 PolarHBondContact OD1-N 3.49Å; D405-I408 HydrophobicContact CB-CB 4Å; D405-I408 HydrophobicContact CB-CD1 3.83Å; D405-I408 HydrophobicContact CB-CG1 3.98Å; D405-I408 PolarHBondContact O-N 3.37Å; D405-I408 VanDerWaalsContact O-N 3.11Å; D405-I408 PolarHBondContact OD1-N 3.39Å; D405-I408 VanDerWaalsContact OD1-N 3.14Å; D405-I408 VanDerWaalsContact OD2-CD1 3.22Å; D405-I408 WeakPolarHBondContact OD2-CD1 3.37Å; D405-I408 WeakPolarHBondContact OD2-CG1 3.24Å; D405-L409 PolarHBondContact O-N 3.34Å
406	D	89.3	Confident	73.4	Confident	41 Å²	41	75.5 Å²	75.5	22%	0.219	38%	0.376	C	S	.	.	H	α-helix	trans	-59.8	-26.9	-178.3	177.9	72.7	0	0	0	112.6	R331 R335 Y404 W410	R331-D406 IonicContact CZ-OD2 3.77Å; R331-D406 IonicContact NH1-OD1 3.85Å; R331-D406 IonicContact NH1-OD2 3.1Å; R331-D406 PolarHBondContact NH1-OD2 3.24Å; R331-D406 IonicContact NH2-OD2 2.75Å; R331-D406 PolarHBondContact NH2-OD2 2.92Å; R335-D406 WeakPolarHBondContact CD-OD1 3.07Å; R335-D406 WeakPolarHBondContact CG-OD1 3.47Å; R335-D406 IonicContact CZ-OD1 3.34Å; R335-D406 IonicContact CZ-OD2 2.76Å; R335-D406 VanDerWaalsContact CZ-OD2 3.24Å; R335-D406 IonicContact NE-OD1 2.71Å; R335-D406 PolarHBondContact NE-OD1 3.3Å; R335-D406 IonicContact NE-OD2 3.25Å; R335-D406 PolarHBondContact NE-OD2 3.34Å; R335-D406 IonicContact NH2-OD2 2.77Å; R335-D406 PolarHBondContact NH2-OD2 3.01Å; Y404-D406 VanDerWaalsContact C-N 3.34Å; Y404-D406 PolarHBondContact O-N 3.33Å; D406-W410 VanDerWaalsContact O-CB 3.28Å; D406-W410 WeakPolarHBondContact O-CB 3.27Å; D406-W410 PolarHBondContact O-N 2.85Å; D406-W410 VanDerWaalsContact O-N 3.14Å
407	E	92.1	Very high	76.7	Confident	99 Å²	99	71.3 Å²	71.3	46%	0.463	35%	0.346	S	S	.	.	H	α-helix	trans	-75.1	-43	175	-68.1	-62.7	134.6	0	0	110.5	R331 D405 L409 W410 I411	R331-E407 IonicContact CZ-OE1 3.82Å; R331-E407 IonicContact NH2-OE1 2.7Å; R331-E407 PolarHBondContact NH2-OE1 2.9Å; R331-E407 IonicContact NH2-OE2 3.39Å; D405-E407 PolarHBondContact O-N 3.4Å; D405-E407 WeakPolarHBondContact OD1-CB 3.41Å; D405-E407 PolarHBondContact OD1-N 3.49Å; E407-L409 PolarHBondContact O-N 2.83Å; E407-W410 WeakPolarHBondContact O-CB 3.39Å; E407-W410 PolarHBondContact O-N 2.92Å; E407-I411 VanDerWaalsContact O-CG1 3.3Å; E407-I411 WeakPolarHBondContact O-CG1 3.31Å; E407-I411 PolarHBondContact O-N 2.88Å
408	I	92.7	Very high	79.7	Confident	79 Å²	79	65.9 Å²	65.9	41%	0.405	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-44.9	175.5	-68.5	175.7	0	0	0	111.4	V256 D405 W410 I411 E412	V256-I408 HydrophobicContact CG1-CG2 4.18Å; D405-I408 HydrophobicContact CB-CB 4Å; D405-I408 HydrophobicContact CB-CD1 3.83Å; D405-I408 HydrophobicContact CB-CG1 3.98Å; D405-I408 PolarHBondContact O-N 3.37Å; D405-I408 VanDerWaalsContact O-N 3.11Å; D405-I408 PolarHBondContact OD1-N 3.39Å; D405-I408 VanDerWaalsContact OD1-N 3.14Å; D405-I408 VanDerWaalsContact OD2-CD1 3.22Å; D405-I408 WeakPolarHBondContact OD2-CD1 3.37Å; D405-I408 WeakPolarHBondContact OD2-CG1 3.24Å; I408-W410 VanDerWaalsContact C-N 3.25Å; I408-W410 PolarHBondContact O-N 3.05Å; I408-I411 PolarHBondContact O-N 3.35Å; I408-E412 WeakPolarHBondContact O-CB 3.42Å; I408-E412 PolarHBondContact O-N 2.99Å
409	L	95.5	Very high	82.7	Confident	15 Å²	15	58.2 Å²	58.2	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-34.7	177.8	-66.7	179.8	0	0	0	112	W338 L342 D405 E407 T413	W338-L409 HydrophobicContact CB-CD1 4.14Å; W338-L409 HydrophobicContact CD2-CB 4.14Å; W338-L409 HydrophobicContact CD2-CD1 4.08Å; W338-L409 HydrophobicContact CD2-CD2 4.06Å; W338-L409 HydrophobicContact CD2-CG 4.32Å; W338-L409 HydrophobicContact CE3-CD1 4.28Å; W338-L409 HydrophobicContact CE3-CD2 3.85Å; W338-L409 HydrophobicContact CG-CB 4.27Å; W338-L409 HydrophobicContact CG-CD1 4.03Å; W338-L409 HydrophobicContact CH2-CD2 3.94Å; W338-L409 HydrophobicContact CZ2-CB 4.35Å; W338-L409 HydrophobicContact CZ2-CD2 4.17Å; W338-L409 HydrophobicContact CZ3-CD2 3.8Å; W338-L409 PolarHBondContact NE1-O 3.03Å; L342-L409 HydrophobicContact CD1-CD1 3.79Å; D405-L409 PolarHBondContact O-N 3.34Å; E407-L409 PolarHBondContact O-N 2.83Å; L409-T413 WeakPolarHBondContact O-CB 3.43Å; L409-T413 PolarHBondContact O-N 3.49Å; L409-T413 PolarHBondContact O-OG1 2.98Å
410	W	96.3	Very high	85.5	Confident	31 Å²	31	51.7 Å²	51.7	12%	0.117	25%	0.248	C	C	.	.	H	α-helix	trans	-67.4	-49.1	174.5	-175.5	59.4	0	0	0	112.3	R331 D406 E407 I408 E412 T413 I414 W458 P460	R331-W410 VanDerWaalsContact CD-NE1 3.29Å; R331-W410 VanDerWaalsContact CZ-CG 3.46Å; R331-W410 VanDerWaalsContact NH1-CB 3.3Å; D406-W410 VanDerWaalsContact O-CB 3.28Å; D406-W410 WeakPolarHBondContact O-CB 3.27Å; D406-W410 PolarHBondContact O-N 2.85Å; D406-W410 VanDerWaalsContact O-N 3.14Å; E407-W410 WeakPolarHBondContact O-CB 3.39Å; E407-W410 PolarHBondContact O-N 2.92Å; I408-W410 VanDerWaalsContact C-N 3.25Å; I408-W410 PolarHBondContact O-N 3.05Å; W410-E412 VanDerWaalsContact C-N 3.27Å; W410-E412 PolarHBondContact O-N 3.48Å; W410-T413 VanDerWaalsContact O-CB 3.32Å; W410-T413 WeakPolarHBondContact O-CB 3.21Å; W410-T413 PolarHBondContact O-N 3.2Å; W410-T413 VanDerWaalsContact O-N 3.07Å; W410-I414 HydrophobicContact CD2-CG1 4.23Å; W410-I414 HydrophobicContact CH2-CG1 4.46Å; W410-I414 HydrophobicContact CZ2-CD1 4.19Å; W410-I414 HydrophobicContact CZ2-CG1 3.86Å; W410-I414 WeakPolarHBondContact O-CG1 3.41Å; W410-I414 PolarHBondContact O-N 3.46Å; W410-W458 HydrophobicContact CH2-CB 4.29Å; W410-W458 WeakPolarHBondContact CH2-O 3.36Å; W410-W458 HydrophobicContact CZ2-CB 4.24Å; W410-P460 HydrophobicContact CZ3-CG 4.35Å
411	I	96.4	Very high	88.3	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-57.6	-43.9	175.8	-67.9	-62.9	0	0	0	110.4	Y253 E407 I408 T413 I414 Y415 L459 P460 H463	Y253-I411 HydrophobicContact CE1-CG2 4.22Å; Y253-I411 WeakPolarHBondContact OH-CG2 3.45Å; E407-I411 VanDerWaalsContact O-CG1 3.3Å; E407-I411 WeakPolarHBondContact O-CG1 3.31Å; E407-I411 PolarHBondContact O-N 2.88Å; I408-I411 PolarHBondContact O-N 3.35Å; I411-T413 VanDerWaalsContact C-N 3.32Å; I411-T413 PolarHBondContact O-N 3.02Å; I411-I414 PolarHBondContact O-N 3.49Å; I411-Y415 HydrophobicContact CG2-CD2 3.65Å; I411-Y415 HydrophobicContact CG2-CE2 3.75Å; I411-Y415 WeakPolarHBondContact O-CD2 3.09Å; I411-Y415 PolarHBondContact O-N 2.95Å; I411-L459 HydrophobicContact CD1-CD2 3.8Å; I411-P460 HydrophobicContact CD1-CG 4.3Å; I411-H463 VanDerWaalsContact CD1-CD2 3.48Å; I411-H463 WeakPolarHBondContact CD1-CD2 3.44Å
412	E	96.8	Very high	90.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.7	-45.8	174.3	-175.3	172.6	-174.1	0	0	112.1	F257 R298 A299 I408 W410 Y415 G416	F257-E412 HydrophobicContact CD1-CB 3.96Å; F257-E412 HydrophobicContact CD1-CG 3.64Å; F257-E412 HydrophobicContact CE1-CB 3.53Å; F257-E412 HydrophobicContact CE1-CG 3.72Å; F257-E412 HydrophobicContact CG-CG 4.27Å; F257-E412 HydrophobicContact CZ-CB 4.17Å; F257-E412 HydrophobicContact CZ-CG 4.38Å; R298-E412 WeakPolarHBondContact CD-OE1 3.47Å; R298-E412 WeakPolarHBondContact CG-OE1 3.5Å; R298-E412 IonicContact CZ-OE1 2.99Å; R298-E412 IonicContact CZ-OE2 3.59Å; R298-E412 IonicContact NE-OE1 2.58Å; R298-E412 PolarHBondContact NE-OE1 3.17Å; R298-E412 IonicContact NE-OE2 2.71Å; R298-E412 PolarHBondContact NE-OE2 2.59Å; R298-E412 IonicContact NH2-OE1 3.34Å; R298-E412 IonicContact NH2-OE2 3.62Å; R298-E412 PolarHBondContact NH2-OE2 3.39Å; A299-E412 HydrophobicContact CB-CG 3.55Å; A299-E412 WeakPolarHBondContact CB-O 3.37Å; I408-E412 WeakPolarHBondContact O-CB 3.42Å; I408-E412 PolarHBondContact O-N 2.99Å; W410-E412 VanDerWaalsContact C-N 3.27Å; W410-E412 PolarHBondContact O-N 3.48Å; E412-Y415 PolarHBondContact O-N 2.85Å; E412-G416 PolarHBondContact O-N 2.93Å
413	T	97.7	Very high	93.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-48	177.4	-56.7	0	0	0	0	111.3	F306 W338 L409 W410 I411 G416 S417	F306-T413 HydrophobicContact CD2-CG2 3.41Å; F306-T413 VanDerWaalsContact CD2-CG2 3.41Å; F306-T413 HydrophobicContact CE2-CG2 3.59Å; W338-T413 PolarHBondContact NE1-OG1 3.5Å; L409-T413 WeakPolarHBondContact O-CB 3.43Å; L409-T413 PolarHBondContact O-N 3.49Å; L409-T413 PolarHBondContact O-OG1 2.98Å; W410-T413 VanDerWaalsContact O-CB 3.32Å; W410-T413 WeakPolarHBondContact O-CB 3.21Å; W410-T413 PolarHBondContact O-N 3.2Å; W410-T413 VanDerWaalsContact O-N 3.07Å; I411-T413 VanDerWaalsContact C-N 3.32Å; I411-T413 PolarHBondContact O-N 3.02Å; T413-G416 PolarHBondContact O-N 2.85Å; T413-S417 PolarHBondContact O-N 3.27Å; T413-S417 PolarHBondContact O-OG 3.35Å
414	I	97.8	Very high	94.9	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.3	-46.2	-178.9	-62.3	-52.7	0	0	0	111	W410 I411 G416 S417 L418 M455 W458 L459	W410-I414 HydrophobicContact CD2-CG1 4.23Å; W410-I414 HydrophobicContact CH2-CG1 4.46Å; W410-I414 HydrophobicContact CZ2-CD1 4.19Å; W410-I414 HydrophobicContact CZ2-CG1 3.86Å; W410-I414 WeakPolarHBondContact O-CG1 3.41Å; W410-I414 PolarHBondContact O-N 3.46Å; I411-I414 PolarHBondContact O-N 3.49Å; I414-G416 VanDerWaalsContact C-N 3.3Å; I414-G416 PolarHBondContact O-N 3.33Å; I414-S417 PolarHBondContact O-N 3.31Å; I414-L418 HydrophobicContact CG2-CD1 4.1Å; I414-L418 HydrophobicContact CG2-CG 4.26Å; I414-L418 VanDerWaalsContact O-CG 3.27Å; I414-L418 WeakPolarHBondContact O-CG 3.49Å; I414-L418 PolarHBondContact O-N 3.07Å; I414-M455 HydrophobicContact CD1-CE 3.81Å; I414-W458 HydrophobicContact CD1-CE3 3.77Å; I414-W458 HydrophobicContact CD1-CZ3 4.19Å; I414-L459 HydrophobicContact CB-CD2 4.1Å; I414-L459 HydrophobicContact CG2-CD1 4.39Å; I414-L459 HydrophobicContact CG2-CD2 3.65Å; I414-L459 HydrophobicContact CG2-CG 3.83Å
415	Y	98.1	Very high	96.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.9	-40.6	176.3	-90.7	-70.8	0	0	0	112.7	W244 I245 K248 F249 Y253 F257 I411 E412 L418 L419 L459 H463	W244-Y415 HydrophobicContact CH2-CE1 4.01Å; I245-Y415 HydrophobicContact CD1-CD1 4.34Å; I245-Y415 HydrophobicContact CG1-CD1 4.15Å; K248-Y415 HydrophobicContact CB-CD1 4.41Å; K248-Y415 HydrophobicContact CB-CE1 3.69Å; K248-Y415 WeakPolarHBondContact CD-OH 3.41Å; K248-Y415 HydrophobicContact CG-CE1 3.84Å; F249-Y415 HydrophobicContact CE2-CD1 4.06Å; F249-Y415 HydrophobicContact CE2-CG 4.38Å; Y253-Y415 HydrophobicContact CD2-CE2 4.32Å; Y253-Y415 AromaticContact CE2-CD2 3.98Å; Y253-Y415 HydrophobicContact CE2-CD2 3.98Å; Y253-Y415 HydrophobicContact CE2-CE1 4.39Å; Y253-Y415 AromaticContact CE2-CE2 3.39Å; Y253-Y415 HydrophobicContact CE2-CE2 3.39Å; Y253-Y415 AromaticContact CE2-CZ 3.61Å; Y253-Y415 AromaticContact CZ-CE2 3.66Å; Y253-Y415 WeakPolarHBondContact OH-CE2 3.17Å; F257-Y415 HydrophobicContact CE2-CD2 4.2Å; F257-Y415 HydrophobicContact CE2-CG 4.08Å; F257-Y415 AromaticContact CZ-CD2 3.96Å; F257-Y415 HydrophobicContact CZ-CD2 3.96Å; F257-Y415 HydrophobicContact CZ-CG 4.27Å; I411-Y415 HydrophobicContact CG2-CD2 3.65Å; I411-Y415 HydrophobicContact CG2-CE2 3.75Å; I411-Y415 WeakPolarHBondContact O-CD2 3.09Å; I411-Y415 PolarHBondContact O-N 2.95Å; E412-Y415 PolarHBondContact O-N 2.85Å; Y415-L418 PolarHBondContact O-N 3.14Å; Y415-L419 PolarHBondContact O-N 3.22Å; Y415-L459 HydrophobicContact CE2-CD1 4.45Å; Y415-L459 HydrophobicContact CE2-CD2 4.24Å; Y415-H463 PolarHBondContact OH-O 3.23Å
416	G	97.9	Very high	96.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58	-48.9	172.5	0	0	0	0	0	113.4	A299 E412 T413 I414 L419 S420	A299-G416 WeakPolarHBondContact O-CA 3.28Å; E412-G416 PolarHBondContact O-N 2.93Å; T413-G416 PolarHBondContact O-N 2.85Å; I414-G416 VanDerWaalsContact C-N 3.3Å; I414-G416 PolarHBondContact O-N 3.33Å; G416-L419 PolarHBondContact O-N 3.32Å; G416-S420 PolarHBondContact O-N 2.98Å
417	S	98.4	Very high	96.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64	-39.9	178.6	-74.4	0	0	0	0	112.6	G303 N307 Y328 T413 I414 S420 H421	G303-S417 VanDerWaalsContact CA-OG 3.24Å; G303-S417 WeakPolarHBondContact CA-OG 3.36Å; G303-S417 PolarHBondContact O-OG 3.08Å; N307-S417 WeakPolarHBondContact ND2-CA 3.12Å; N307-S417 PolarHBondContact ND2-O 3.24Å; N307-S417 WeakPolarHBondContact OD1-CB 3.3Å; N307-S417 PolarHBondContact OD1-OG 3.33Å; Y328-S417 PolarHBondContact OH-OG 3.03Å; T413-S417 PolarHBondContact O-N 3.27Å; T413-S417 PolarHBondContact O-OG 3.35Å; I414-S417 PolarHBondContact O-N 3.31Å; S417-S420 WeakPolarHBondContact O-CB 3.3Å; S417-S420 PolarHBondContact O-N 3.17Å; S417-H421 PolarHBondContact O-CD2 3.48Å; S417-H421 VanDerWaalsContact O-CD2 3.24Å; S417-H421 PolarHBondContact O-N 3.45Å
418	L	98.6	Very high	96.8	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-61.9	-46.7	175.3	-70.9	178.5	0	0	0	111.5	W244 I245 I414 Y415 S420 H421 L422 Y452 M455 K456 L459	W244-L418 HydrophobicContact CH2-CD1 4.39Å; W244-L418 HydrophobicContact CZ3-CD1 4.39Å; I245-L418 HydrophobicContact CD1-CB 3.51Å; I414-L418 HydrophobicContact CG2-CD1 4.1Å; I414-L418 HydrophobicContact CG2-CG 4.26Å; I414-L418 VanDerWaalsContact O-CG 3.27Å; I414-L418 WeakPolarHBondContact O-CG 3.49Å; I414-L418 PolarHBondContact O-N 3.07Å; Y415-L418 PolarHBondContact O-N 3.14Å; L418-S420 VanDerWaalsContact C-N 3.32Å; L418-S420 PolarHBondContact O-N 2.87Å; L418-H421 PolarHBondContact O-N 2.97Å; L418-L422 PolarHBondContact O-N 3.45Å; L418-L422 VanDerWaalsContact O-N 3.14Å; L418-Y452 HydrophobicContact CB-CD2 3.97Å; L418-Y452 HydrophobicContact CB-CE2 3.72Å; L418-Y452 HydrophobicContact CD2-CD2 3.51Å; L418-Y452 HydrophobicContact CD2-CE2 3.68Å; L418-Y452 HydrophobicContact CD2-CG 4.07Å; L418-Y452 VanDerWaalsContact CD2-O 3.26Å; L418-Y452 WeakPolarHBondContact CD2-O 3.5Å; L418-Y452 HydrophobicContact CG-CD2 4.33Å; L418-Y452 HydrophobicContact CG-CE2 4.19Å; L418-Y452 WeakPolarHBondContact O-CD2 3.43Å; L418-M455 HydrophobicContact CD2-CB 3.78Å; L418-K456 HydrophobicContact CD1-CB 4.38Å; L418-K456 HydrophobicContact CD2-CB 3.95Å; L418-L459 HydrophobicContact CD1-CD1 3.8Å
419	L	97.9	Very high	96.8	Very high	1 Å²	1	3.5 Å²	3.5	1%	0.005	2%	0.015	C	C	.	.	H	α-helix	trans	-64.3	-38.6	178.1	-176.7	58	0	0	0	111.5	F178 I245 F249 F300 Y415 G416 L422 F423	F178-L419 HydrophobicContact CD1-CD1 4.49Å; F178-L419 HydrophobicContact CE1-CD1 4.42Å; I245-L419 HydrophobicContact CD1-CB 3.84Å; I245-L419 HydrophobicContact CG2-CD1 3.93Å; F249-L419 HydrophobicContact CD2-CD2 4.39Å; F249-L419 HydrophobicContact CE1-CD2 4.28Å; F249-L419 HydrophobicContact CE2-CB 4.14Å; F249-L419 HydrophobicContact CE2-CD2 4.02Å; F249-L419 HydrophobicContact CZ-CB 4.3Å; F249-L419 HydrophobicContact CZ-CD2 3.95Å; F300-L419 HydrophobicContact CD2-CB 4.07Å; F300-L419 HydrophobicContact CD2-CD2 3.77Å; F300-L419 HydrophobicContact CD2-CG 3.67Å; F300-L419 HydrophobicContact CE2-CD2 4.47Å; F300-L419 HydrophobicContact CE2-CG 3.98Å; Y415-L419 PolarHBondContact O-N 3.22Å; G416-L419 PolarHBondContact O-N 3.32Å; L419-L422 PolarHBondContact O-N 2.94Å; L419-F423 WeakPolarHBondContact O-CB 3.44Å; L419-F423 PolarHBondContact O-N 2.99Å
420	S	98.1	Very high	96.5	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-59.1	-50	172.8	160.7	0	0	0	0	111.8	N304 N307 G416 S417 L418 L422 F423 W424 R448	N304-S420 PolarHBondContact OD1-OG 2.85Å; N307-S420 WeakPolarHBondContact ND2-CB 3.22Å; N307-S420 PolarHBondContact ND2-OG 3.24Å; G416-S420 PolarHBondContact O-N 2.98Å; S417-S420 WeakPolarHBondContact O-CB 3.3Å; S417-S420 PolarHBondContact O-N 3.17Å; L418-S420 VanDerWaalsContact C-N 3.32Å; L418-S420 PolarHBondContact O-N 2.87Å; S420-L422 VanDerWaalsContact C-N 3.33Å; S420-L422 PolarHBondContact O-N 3.29Å; S420-F423 PolarHBondContact O-N 3.47Å; S420-W424 PolarHBondContact O-N 3.26Å; S420-R448 PolarHBondContact OG-NH2 3Å; S420-R448 VanDerWaalsContact OG-NH2 3.1Å
421	H	98.5	Very high	96	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-59.2	-43.7	179.1	-73.7	-50.6	0	0	0	112.6	N307 Y311 S417 L418 S425 R448 H451 Y452 M455	N307-H421 PolarHBondContact ND2-CE1 2.9Å; N307-H421 PolarHBondContact ND2-NE2 3.38Å; N307-H421 PolarHBondContact OD1-NE2 3.27Å; Y311-H421 PolarHBondContact OH-CE1 3.43Å; Y311-H421 VanDerWaalsContact OH-CE1 3.27Å; S417-H421 PolarHBondContact O-CD2 3.48Å; S417-H421 VanDerWaalsContact O-CD2 3.24Å; S417-H421 PolarHBondContact O-N 3.45Å; L418-H421 PolarHBondContact O-N 2.97Å; H421-S425 VanDerWaalsContact O-CB 3.3Å; H421-S425 WeakPolarHBondContact O-CB 3.27Å; H421-S425 PolarHBondContact O-N 3.48Å; H421-S425 PolarHBondContact O-OG 3.49Å; H421-R448 PolarHBondContact ND1-NE 2.95Å; H421-H451 AromaticContact CE1-CG 3.63Å; H421-H451 AromaticContact CE1-ND1 3.57Å; H421-H451 AromaticContact NE2-CD2 3.68Å; H421-H451 AromaticContact NE2-CE1 3.96Å; H421-H451 AromaticContact NE2-CG 3.48Å; H421-H451 AromaticContact NE2-ND1 3.72Å; H421-H451 AromaticContact NE2-NE2 3.99Å; H421-Y452 HydrophobicContact CB-CD2 4.26Å; H421-M455 PolarHBondContact NE2-SD 3.03Å
422	L	98.3	Very high	95.5	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-61.3	-49.6	177.3	-76.7	169.8	0	0	0	111.9	F178 L238 E241 I245 L418 L419 S420 W424 S425 A426 M449 Y452	F178-L422 HydrophobicContact CE1-CB 3.67Å; F178-L422 VanDerWaalsContact CZ-C 3.48Å; F178-L422 HydrophobicContact CZ-CB 3.71Å; F178-L422 WeakPolarHBondContact CZ-O 3.5Å; L238-L422 HydrophobicContact CD2-CD2 3.9Å; E241-L422 HydrophobicContact CB-CD1 4.31Å; E241-L422 HydrophobicContact CB-CD2 3.74Å; I245-L422 HydrophobicContact CB-CD1 4.27Å; I245-L422 HydrophobicContact CD1-CD1 4.29Å; I245-L422 HydrophobicContact CG2-CD1 3.61Å; L418-L422 PolarHBondContact O-N 3.45Å; L418-L422 VanDerWaalsContact O-N 3.14Å; L419-L422 PolarHBondContact O-N 2.94Å; S420-L422 VanDerWaalsContact C-N 3.33Å; S420-L422 PolarHBondContact O-N 3.29Å; L422-W424 PolarHBondContact O-N 3.45Å; L422-S425 PolarHBondContact O-N 3.43Å; L422-A426 PolarHBondContact O-N 2.76Å; L422-A426 VanDerWaalsContact O-N 3.1Å; L422-M449 HydrophobicContact CD2-CE 3.86Å; L422-M449 HydrophobicContact CD2-SD 3.71Å; L422-M449 HydrophobicContact CG-SD 4.49Å; L422-Y452 HydrophobicContact CD1-CD2 4.18Å; L422-Y452 HydrophobicContact CD1-CE2 3.43Å; L422-Y452 VanDerWaalsContact CD1-CE2 3.43Å; L422-Y452 HydrophobicContact CD2-CD2 4.33Å; L422-Y452 HydrophobicContact CD2-CE2 4.1Å; L422-Y452 HydrophobicContact CG-CD2 3.77Å; L422-Y452 HydrophobicContact CG-CE2 3.52Å
423	F	97	Very high	94.8	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-58.9	-50.7	-179.7	177.1	-99.2	0	0	0	111.7	I174 M177 F178 Y181 F300 L419 S420 S425 A426 W427	I174-F423 HydrophobicContact CD1-CE1 4.41Å; I174-F423 HydrophobicContact CD1-CE2 4.24Å; I174-F423 HydrophobicContact CD1-CZ 3.97Å; I174-F423 HydrophobicContact CG2-CD2 3.74Å; I174-F423 HydrophobicContact CG2-CE2 3.95Å; I174-F423 HydrophobicContact CG2-CG 4.23Å; M177-F423 HydrophobicContact CB-CE2 4.12Å; M177-F423 HydrophobicContact CG-CE2 4.02Å; M177-F423 HydrophobicContact CG-CZ 4.17Å; M177-F423 HydrophobicContact SD-CE2 4.12Å; M177-F423 HydrophobicContact SD-CZ 3.67Å; F178-F423 HydrophobicContact CB-CD2 3.99Å; F178-F423 HydrophobicContact CB-CE2 4.45Å; F178-F423 HydrophobicContact CD1-CB 4.24Å; F178-F423 HydrophobicContact CD1-CD2 4.21Å; F178-F423 HydrophobicContact CE1-CB 4.34Å; F178-F423 HydrophobicContact CG-CD2 4.11Å; Y181-F423 HydrophobicContact CD2-CE2 4.25Å; Y181-F423 AromaticContact CE2-CE2 3.84Å; Y181-F423 HydrophobicContact CE2-CE2 3.84Å; Y181-F423 AromaticContact CE2-CZ 3.86Å; Y181-F423 HydrophobicContact CE2-CZ 3.86Å; F300-F423 HydrophobicContact CE2-CB 4.15Å; F300-F423 HydrophobicContact CE2-CG 4.47Å; F300-F423 HydrophobicContact CZ-CB 4.33Å; F300-F423 HydrophobicContact CZ-CD1 4.07Å; F300-F423 HydrophobicContact CZ-CG 4.26Å; L419-F423 WeakPolarHBondContact O-CB 3.44Å; L419-F423 PolarHBondContact O-N 2.99Å; S420-F423 PolarHBondContact O-N 3.47Å; F423-S425 VanDerWaalsContact C-N 3.31Å; F423-S425 PolarHBondContact O-N 2.88Å; F423-A426 PolarHBondContact O-N 2.77Å; F423-W427 WeakPolarHBondContact O-CB 3.37Å; F423-W427 PolarHBondContact O-N 3.21Å
424	W	96.7	Very high	93.8	Very high	13 Å²	13	2.5 Å²	2.5	5%	0.049	1%	0.012	C	C	.	.	H	α-helix	trans	-72.1	-24.6	-178	-67.3	113.9	0	0	0	113.3	D265 Y292 N304 S420 L422 W427 S428 Y444	D265-W424 HydrophobicContact CB-CH2 4.39Å; D265-W424 HydrophobicContact CB-CZ2 4.21Å; Y292-W424 AromaticContact CD2-CH2 3.93Å; Y292-W424 HydrophobicContact CD2-CH2 3.93Å; Y292-W424 HydrophobicContact CE1-CH2 4.37Å; Y292-W424 AromaticContact CE2-CH2 3.64Å; Y292-W424 HydrophobicContact CE2-CH2 3.64Å; Y292-W424 HydrophobicContact CE2-CZ3 4.17Å; Y292-W424 HydrophobicContact CG-CH2 4.42Å; Y292-W424 AromaticContact CZ-CH2 3.89Å; N304-W424 PolarHBondContact OD1-NE1 3.04Å; S420-W424 PolarHBondContact O-N 3.26Å; L422-W424 PolarHBondContact O-N 3.45Å; W424-W427 HydrophobicContact CE3-CB 4Å; W424-W427 AromaticContact CE3-CD2 3.79Å; W424-W427 HydrophobicContact CE3-CD2 3.79Å; W424-W427 HydrophobicContact CE3-CE3 4.03Å; W424-W427 AromaticContact CE3-CG 3.78Å; W424-W427 HydrophobicContact CE3-CG 3.78Å; W424-W427 AromaticContact CZ3-CD1 3.97Å; W424-W427 AromaticContact CZ3-CD2 4Å; W424-W427 HydrophobicContact CZ3-CD2 4Å; W424-W427 AromaticContact CZ3-CG 3.96Å; W424-W427 HydrophobicContact CZ3-CG 3.96Å; W424-S428 VanDerWaalsContact O-CB 3.23Å; W424-S428 WeakPolarHBondContact O-CB 3.33Å; W424-S428 PolarHBondContact O-N 3.38Å; W424-Y444 HydrophobicContact CB-CE1 4.49Å
425	S	97.9	Very high	92.8	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-65.4	-48.6	169.9	-58.8	0	0	0	0	110.9	H421 L422 F423 S428 L429 A445 R448 M449	H421-S425 VanDerWaalsContact O-CB 3.3Å; H421-S425 WeakPolarHBondContact O-CB 3.27Å; H421-S425 PolarHBondContact O-N 3.48Å; H421-S425 PolarHBondContact O-OG 3.49Å; L422-S425 PolarHBondContact O-N 3.43Å; F423-S425 VanDerWaalsContact C-N 3.31Å; F423-S425 PolarHBondContact O-N 2.88Å; S425-S428 PolarHBondContact O-N 3.46Å; S425-L429 WeakPolarHBondContact O-CG 3.43Å; S425-L429 PolarHBondContact O-N 3.37Å; S425-A445 PolarHBondContact OG-O 3.05Å; S425-R448 VanDerWaalsContact OG-CB 3.25Å; S425-R448 WeakPolarHBondContact OG-CB 3.43Å; S425-M449 WeakPolarHBondContact OG-CG 3.29Å
426	A	95.4	Very high	91.4	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-65.5	-42.3	177.5	0	0	0	0	0	112.4	F178 L182 L422 F423 S428 L429 V430	F178-A426 HydrophobicContact CD2-CB 3.83Å; F178-A426 HydrophobicContact CE2-CB 3.38Å; F178-A426 HydrophobicContact CZ-CB 4.27Å; L182-A426 HydrophobicContact CD2-CB 4.34Å; L422-A426 PolarHBondContact O-N 2.76Å; L422-A426 VanDerWaalsContact O-N 3.1Å; F423-A426 PolarHBondContact O-N 2.77Å; A426-S428 VanDerWaalsContact C-N 3.28Å; A426-S428 PolarHBondContact O-N 2.88Å; A426-L429 PolarHBondContact O-N 2.87Å; A426-V430 PolarHBondContact O-N 3.5Å
427	W	93.4	Very high	90.4	Very high	7 Å²	7	6.2 Å²	6.2	3%	0.027	3%	0.034	C	C	.	.	H	α-helix	trans	-53.7	-48.1	171.2	170.6	95.1	0	0	0	110.7	L65 Y181 Y292 F423 W424 L429 V430 Q431 F441 Y444	L65-W427 HydrophobicContact CB-CH2 3.94Å; L65-W427 HydrophobicContact CB-CZ2 4.28Å; L65-W427 HydrophobicContact CD1-CH2 4.07Å; Y181-W427 HydrophobicContact CD2-CB 4.24Å; Y181-W427 HydrophobicContact CE2-CB 3.81Å; Y181-W427 HydrophobicContact CE2-CG 4.39Å; Y292-W427 PolarHBondContact OH-NE1 3.14Å; Y292-W427 VanDerWaalsContact OH-NE1 3.1Å; F423-W427 WeakPolarHBondContact O-CB 3.37Å; F423-W427 PolarHBondContact O-N 3.21Å; W424-W427 HydrophobicContact CE3-CB 4Å; W424-W427 AromaticContact CE3-CD2 3.79Å; W424-W427 HydrophobicContact CE3-CD2 3.79Å; W424-W427 HydrophobicContact CE3-CE3 4.03Å; W424-W427 AromaticContact CE3-CG 3.78Å; W424-W427 HydrophobicContact CE3-CG 3.78Å; W424-W427 AromaticContact CZ3-CD1 3.97Å; W424-W427 AromaticContact CZ3-CD2 4Å; W424-W427 HydrophobicContact CZ3-CD2 4Å; W424-W427 AromaticContact CZ3-CG 3.96Å; W424-W427 HydrophobicContact CZ3-CG 3.96Å; W427-L429 PolarHBondContact O-N 3.32Å; W427-V430 WeakPolarHBondContact O-CB 3.34Å; W427-V430 PolarHBondContact O-N 3.08Å; W427-V430 VanDerWaalsContact O-N 3.11Å; W427-Q431 HydrophobicContact CD2-CG 3.69Å; W427-Q431 VanDerWaalsContact CE2-CG 3.44Å; W427-Q431 VanDerWaalsContact CE2-NE2 3.32Å; W427-Q431 HydrophobicContact CE3-CG 3.99Å; W427-Q431 HydrophobicContact CG-CG 4.34Å; W427-Q431 HydrophobicContact CH2-CG 3.82Å; W427-Q431 HydrophobicContact CZ2-CG 3.53Å; W427-Q431 HydrophobicContact CZ3-CG 4.04Å; W427-Q431 WeakPolarHBondContact O-CG 3.3Å; W427-Q431 PolarHBondContact O-N 3.11Å; W427-F441 HydrophobicContact CH2-CD1 4.39Å; W427-F441 AromaticContact CH2-CE1 3.82Å; W427-F441 HydrophobicContact CH2-CE1 3.82Å; W427-F441 HydrophobicContact CZ3-CD1 4.13Å; W427-F441 HydrophobicContact CZ3-CE1 4.03Å; W427-Y444 HydrophobicContact CZ3-CE1 4.4Å
428	S	93.6	Very high	89.5	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.1	-42.3	-176.9	-163.1	0	0	0	0	111.9	W424 S425 A426 V430 Q431 S432 F441 Y444	W424-S428 VanDerWaalsContact O-CB 3.23Å; W424-S428 WeakPolarHBondContact O-CB 3.33Å; W424-S428 PolarHBondContact O-N 3.38Å; S425-S428 PolarHBondContact O-N 3.46Å; A426-S428 VanDerWaalsContact C-N 3.28Å; A426-S428 PolarHBondContact O-N 2.88Å; S428-V430 VanDerWaalsContact C-N 3.3Å; S428-V430 PolarHBondContact O-N 3.42Å; S428-Q431 WeakPolarHBondContact O-CB 3.43Å; S428-Q431 PolarHBondContact O-N 3.07Å; S428-Q431 VanDerWaalsContact O-N 3.12Å; S428-S432 PolarHBondContact O-N 3Å; S428-F441 WeakPolarHBondContact CB-O 3.34Å; S428-F441 WeakPolarHBondContact O-CB 3.39Å; S428-F441 VanDerWaalsContact OG-C 3.28Å; S428-F441 VanDerWaalsContact OG-CA 3.25Å; S428-F441 WeakPolarHBondContact OG-CA 3.29Å; S428-F441 WeakPolarHBondContact OG-CB 3.44Å; S428-F441 PolarHBondContact OG-O 3.18Å; S428-Y444 WeakPolarHBondContact OG-CD1 3.46Å
429	L	92.9	Very high	88.9	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.1	-38.9	174.3	-63.5	-179	0	0	0	112.1	L185 M232 V233 L238 S425 A426 W427 S432 M442 A445	L185-L429 HydrophobicContact CD1-CB 3.71Å; L185-L429 HydrophobicContact CD1-CD1 4.29Å; L185-L429 HydrophobicContact CD2-CB 3.78Å; L185-L429 HydrophobicContact CG-CB 4.42Å; M232-L429 HydrophobicContact CB-CD1 4.14Å; M232-L429 HydrophobicContact CB-CD2 3.92Å; M232-L429 HydrophobicContact CG-CD1 4.18Å; M232-L429 HydrophobicContact CG-CD2 3.63Å; V233-L429 HydrophobicContact CG2-CD1 3.72Å; L238-L429 HydrophobicContact CD1-CD1 3.64Å; S425-L429 WeakPolarHBondContact O-CG 3.43Å; S425-L429 PolarHBondContact O-N 3.37Å; A426-L429 PolarHBondContact O-N 2.87Å; W427-L429 PolarHBondContact O-N 3.32Å; L429-S432 WeakPolarHBondContact O-CB 3.39Å; L429-S432 PolarHBondContact O-N 3.23Å; L429-S432 PolarHBondContact O-OG 2.86Å; L429-M442 HydrophobicContact CD2-CE 4.3Å; L429-M442 HydrophobicContact CD2-SD 3.41Å; L429-M442 WeakPolarHBondContact CD2-SD 3.14Å; L429-A445 HydrophobicContact CD2-CB 3.61Å; L429-A445 HydrophobicContact CG-CB 3.87Å
430	V	88.6	Confident	88.6	Confident	1 Å²	1	15.5 Å²	15.5	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-45.6	172.4	165.6	0	0	0	0	110.9	Y181 L185 L192 A426 W427 S428 S432 Q433 L434	Y181-V430 HydrophobicContact CD1-CB 4.38Å; Y181-V430 HydrophobicContact CD1-CG1 4.31Å; Y181-V430 HydrophobicContact CD1-CG2 3.88Å; Y181-V430 HydrophobicContact CE1-CG1 4.45Å; Y181-V430 HydrophobicContact CG-CG2 4.06Å; L185-V430 HydrophobicContact CD1-CG2 3.95Å; L185-V430 HydrophobicContact CD2-CG2 4.09Å; L185-V430 HydrophobicContact CG-CG2 3.8Å; L192-V430 HydrophobicContact CD2-CG1 4.17Å; A426-V430 PolarHBondContact O-N 3.5Å; W427-V430 WeakPolarHBondContact O-CB 3.34Å; W427-V430 PolarHBondContact O-N 3.08Å; W427-V430 VanDerWaalsContact O-N 3.11Å; S428-V430 VanDerWaalsContact C-N 3.3Å; S428-V430 PolarHBondContact O-N 3.42Å; V430-S432 VanDerWaalsContact C-N 3.26Å; V430-S432 PolarHBondContact O-N 3.05Å; V430-Q433 PolarHBondContact O-N 3.03Å; V430-Q433 VanDerWaalsContact O-N 3.13Å; V430-L434 HydrophobicContact CG1-CD1 3.61Å; V430-L434 HydrophobicContact CG1-CG 4.38Å; V430-L434 PolarHBondContact O-N 2.77Å
431	Q	85.8	Confident	88.3	Confident	5 Å²	5	16 Å²	16	2%	0.023	8%	0.08	C	C	.	.	H	α-helix	trans	-61.3	-34	178.3	-66.7	-58.2	-21.4	0	0	112.9	V96 W427 S428 Q433 L434 S435 F441	V96-Q431 VanDerWaalsContact CG2-OE1 3.3Å; W427-Q431 HydrophobicContact CD2-CG 3.69Å; W427-Q431 VanDerWaalsContact CE2-CG 3.44Å; W427-Q431 VanDerWaalsContact CE2-NE2 3.32Å; W427-Q431 HydrophobicContact CE3-CG 3.99Å; W427-Q431 HydrophobicContact CG-CG 4.34Å; W427-Q431 HydrophobicContact CH2-CG 3.82Å; W427-Q431 HydrophobicContact CZ2-CG 3.53Å; W427-Q431 HydrophobicContact CZ3-CG 4.04Å; W427-Q431 WeakPolarHBondContact O-CG 3.3Å; W427-Q431 PolarHBondContact O-N 3.11Å; S428-Q431 WeakPolarHBondContact O-CB 3.43Å; S428-Q431 PolarHBondContact O-N 3.07Å; S428-Q431 VanDerWaalsContact O-N 3.12Å; Q431-Q433 PolarHBondContact O-N 3.25Å; Q431-L434 PolarHBondContact O-N 3.14Å; Q431-L434 VanDerWaalsContact O-N 3.09Å; Q431-S435 WeakPolarHBondContact O-CB 3.16Å; Q431-S435 PolarHBondContact O-N 2.7Å; Q431-F441 HydrophobicContact CB-CD1 3.37Å; Q431-F441 HydrophobicContact CB-CD2 4.1Å; Q431-F441 HydrophobicContact CB-CE1 3.42Å; Q431-F441 VanDerWaalsContact CB-CE1 3.42Å; Q431-F441 HydrophobicContact CB-CE2 4.14Å; Q431-F441 HydrophobicContact CB-CG 3.74Å; Q431-F441 HydrophobicContact CB-CZ 3.81Å; Q431-F441 HydrophobicContact CG-CD1 4.1Å; Q431-F441 HydrophobicContact CG-CE1 3.86Å; Q431-F441 HydrophobicContact CG-CZ 4.43Å
432	S	86.3	Confident	88.1	Confident	9 Å²	9	17 Å²	17	6%	0.063	9%	0.085	C	C	.	.	H	α-helix	trans	-56.3	-23.2	177.3	80.5	0	0	0	0	113.5	S428 L429 V430	S428-S432 PolarHBondContact O-N 3Å; L429-S432 WeakPolarHBondContact O-CB 3.39Å; L429-S432 PolarHBondContact O-N 3.23Å; L429-S432 PolarHBondContact O-OG 2.86Å; V430-S432 VanDerWaalsContact C-N 3.26Å; V430-S432 PolarHBondContact O-N 3.05Å
433	Q	82.2	Confident	87.9	Confident	9 Å²	9	19.6 Å²	19.6	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-101.1	-23.6	-179.8	-56.2	-54.3	-67.3	0	0	113.4	L192 P224 Y226 A229 V430 Q431	L192-Q433 HydrophobicContact CD2-CB 3.72Å; L192-Q433 HydrophobicContact CD2-CG 4.16Å; P224-Q433 PolarHBondContact O-NE2 3.3Å; Y226-Q433 VanDerWaalsContact CA-OE1 3.25Å; Y226-Q433 VanDerWaalsContact N-OE1 3.14Å; A229-Q433 HydrophobicContact CB-CG 4.24Å; V430-Q433 PolarHBondContact O-N 3.03Å; V430-Q433 VanDerWaalsContact O-N 3.13Å; Q431-Q433 PolarHBondContact O-N 3.25Å
434	L	76.9	Confident	87.9	Confident	8 Å²	8	19.8 Å²	19.8	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-106.9	-45.7	-170.8	-61.3	-177.9	0	0	0	112.4	V96 L192 R194 V430 Q431	V96-L434 HydrophobicContact CG2-CB 4.39Å; V96-L434 HydrophobicContact CG2-CD1 3.97Å; L192-L434 HydrophobicContact CD2-CD1 4.18Å; L192-L434 HydrophobicContact CD2-CD2 4.05Å; L192-L434 HydrophobicContact CD2-CG 3.9Å; R194-L434 PolarHBondContact NE-O 3.12Å; V430-L434 HydrophobicContact CG1-CD1 3.61Å; V430-L434 HydrophobicContact CG1-CG 4.38Å; V430-L434 PolarHBondContact O-N 2.77Å; Q431-L434 PolarHBondContact O-N 3.14Å; Q431-L434 VanDerWaalsContact O-N 3.09Å
435	S	75.3	Confident	88	Confident	11 Å²	11	19.2 Å²	19.2	8%	0.077	10%	0.098	C	C	.	.			trans	-70.9	147.6	-170	-169.4	0	0	0	0	112	R194 Q431 I437	R194-S435 PolarHBondContact NH2-O 3.27Å; Q431-S435 WeakPolarHBondContact O-CB 3.16Å; Q431-S435 PolarHBondContact O-N 2.7Å; S435-I437 WeakPolarHBondContact OG-CB 3.36Å; S435-I437 WeakPolarHBondContact OG-CG1 3.4Å; S435-I437 PolarHBondContact OG-N 2.86Å; S435-I437 VanDerWaalsContact OG-N 3.15Å
436	S	70.7	Confident	88	Confident	24 Å²	24	22.7 Å²	22.7	17%	0.168	11%	0.113	C	C	.	.			trans	-101.9	0.1	168.1	65.5	0	0	0	0	113.3	D20 Y68	D20-S436 PolarHBondContact OD1-N 2.71Å; D20-S436 PolarHBondContact OD1-OG 2.93Å; Y68-S436 PolarHBondContact OH-OG 3.3Å
437	I	75.1	Confident	88.1	Confident	42 Å²	42	23.5 Å²	23.5	22%	0.215	12%	0.118	C	C	.	.	S	Bend	trans	-69.2	137.6	-178.6	-60.9	174.8	0	0	0	109.8	L65 S435 F439 F441	L65-I437 VanDerWaalsContact C-CD1 3.48Å; L65-I437 HydrophobicContact CD2-CG2 4.02Å; L65-I437 WeakPolarHBondContact O-CD1 3.44Å; S435-I437 WeakPolarHBondContact OG-CB 3.36Å; S435-I437 WeakPolarHBondContact OG-CG1 3.4Å; S435-I437 PolarHBondContact OG-N 2.86Å; S435-I437 VanDerWaalsContact OG-N 3.15Å; I437-F439 VanDerWaalsContact C-N 3.33Å; I437-F439 HydrophobicContact CG2-CB 4.34Å; I437-F439 PolarHBondContact O-N 3.44Å; I437-F441 HydrophobicContact CB-CZ 4.48Å
438	Q	80.1	Confident	88.3	Confident	154 Å²	154	23.1 Å²	23.1	72%	0.72	12%	0.116	S	C	*	.	S	Bend	trans	-71.9	88.7	174.6	-172.8	179.8	-0	0	0	110	N320	N320-Q438 VanDerWaalsContact CG-O 3.23Å; N320-Q438 PolarHBondContact OD1-O 2.63Å
439	F	85.5	Confident	88.6	Confident	19 Å²	19	23.2 Å²	23.2	8%	0.083	12%	0.117	C	C	.	.			trans	-151.8	137.4	178.3	-172.2	-90.8	0	0	0	109.6	L65 Y313 N320 Y321 I437 F441 Y444	L65-F439 HydrophobicContact CD1-CD2 4.27Å; L65-F439 HydrophobicContact CD1-CE2 4.04Å; L65-F439 HydrophobicContact CD1-CZ 4.22Å; L65-F439 HydrophobicContact CD2-CB 4.38Å; L65-F439 HydrophobicContact CD2-CD2 3.91Å; L65-F439 HydrophobicContact CD2-CE2 4.45Å; L65-F439 HydrophobicContact CD2-CG 4.22Å; Y313-F439 HydrophobicContact CD1-CE2 4.22Å; N320-F439 HydrophobicContact CB-CD2 3.84Å; Y321-F439 HydrophobicContact CD1-CE1 4.35Å; Y321-F439 AromaticContact CD1-CE2 3.71Å; Y321-F439 HydrophobicContact CD1-CE2 3.71Å; Y321-F439 AromaticContact CD1-CZ 3.54Å; Y321-F439 HydrophobicContact CD1-CZ 3.54Å; Y321-F439 HydrophobicContact CE1-CZ 4.14Å; Y321-F439 HydrophobicContact CG-CE2 4.27Å; Y321-F439 HydrophobicContact CG-CZ 4.21Å; I437-F439 VanDerWaalsContact C-N 3.33Å; I437-F439 HydrophobicContact CG2-CB 4.34Å; I437-F439 PolarHBondContact O-N 3.44Å; F439-F441 VanDerWaalsContact C-N 3.31Å; F439-F441 HydrophobicContact CB-CD2 4.39Å; F439-F441 HydrophobicContact CB-CE1 4.2Å; F439-F441 HydrophobicContact CB-CE2 3.94Å; F439-F441 HydrophobicContact CB-CZ 3.84Å; F439-F441 HydrophobicContact CD1-CB 4.49Å; F439-F441 AromaticContact CD1-CD1 3.43Å; F439-F441 HydrophobicContact CD1-CD1 3.43Å; F439-F441 VanDerWaalsContact CD1-CD1 3.43Å; F439-F441 HydrophobicContact CD1-CD2 4.32Å; F439-F441 AromaticContact CD1-CE1 3.55Å; F439-F441 HydrophobicContact CD1-CE1 3.55Å; F439-F441 HydrophobicContact CD1-CE2 4.42Å; F439-F441 AromaticContact CD1-CG 3.83Å; F439-F441 HydrophobicContact CD1-CG 3.83Å; F439-F441 HydrophobicContact CD1-CZ 4.07Å; F439-F441 AromaticContact CE1-CD1 3.97Å; F439-F441 HydrophobicContact CE1-CD1 3.97Å; F439-F441 HydrophobicContact CE1-CE1 4.25Å; F439-F441 HydrophobicContact CG-CD1 4.41Å; F439-F441 HydrophobicContact CG-CE1 4.17Å; F439-F441 HydrophobicContact CG-CZ 4.31Å; F439-F441 VanDerWaalsContact O-CD2 3.29Å; F439-F441 WeakPolarHBondContact O-CD2 3.06Å; F439-F441 PolarHBondContact O-N 3.43Å; F439-Y444 HydrophobicContact CE1-CD1 4.19Å; F439-Y444 HydrophobicContact CE1-CD2 4.04Å; F439-Y444 AromaticContact CE1-CG 3.68Å; F439-Y444 HydrophobicContact CE1-CG 3.68Å; F439-Y444 AromaticContact CZ-CD2 3.69Å; F439-Y444 HydrophobicContact CZ-CD2 3.69Å; F439-Y444 HydrophobicContact CZ-CE2 4.23Å; F439-Y444 AromaticContact CZ-CG 3.83Å; F439-Y444 HydrophobicContact CZ-CG 3.83Å
440	D	91.8	Very high	88.8	Confident	24 Å²	24	29.4 Å²	29.4	13%	0.128	15%	0.145	C	C	.	.			trans	-83.3	78.8	179.2	-164.9	-16.3	0	0	0	111.1	R318 P319 M442 D443 Y444	R318-D440 HydrophobicContact CG-CB 4.19Å; R318-D440 IonicContact CZ-OD2 3.64Å; R318-D440 IonicContact NE-OD2 3.34Å; R318-D440 PolarHBondContact NE-OD2 3.25Å; R318-D440 IonicContact NH2-OD1 3.96Å; R318-D440 PolarHBondContact NH2-OD1 3.48Å; R318-D440 IonicContact NH2-OD2 3.8Å; R318-D440 PolarHBondContact NH2-OD2 3.36Å; P319-D440 HydrophobicContact CB-CB 3.65Å; P319-D440 PolarHBondContact O-N 3.11Å; P319-D440 VanDerWaalsContact O-N 3.16Å; D440-M442 PolarHBondContact O-N 3.08Å; D440-M442 PolarHBondContact OD1-N 3.04Å; D440-D443 HydrophobicContact CB-CB 3.95Å; D440-D443 PolarHBondContact O-N 3.44Å; D440-D443 PolarHBondContact OD1-N 3.08Å; D440-Y444 PolarHBondContact O-N 2.58Å
441	F	92	Very high	89.2	Confident	10 Å²	10	29.5 Å²	29.5	4%	0.044	15%	0.146	C	C	.	.	H	α-helix	trans	-60.7	-29.6	-176.7	-67.9	-71	0	0	0	113.7	W427 S428 Q431 I437 F439 A445	W427-F441 HydrophobicContact CH2-CD1 4.39Å; W427-F441 AromaticContact CH2-CE1 3.82Å; W427-F441 HydrophobicContact CH2-CE1 3.82Å; W427-F441 HydrophobicContact CZ3-CD1 4.13Å; W427-F441 HydrophobicContact CZ3-CE1 4.03Å; S428-F441 WeakPolarHBondContact CB-O 3.34Å; S428-F441 WeakPolarHBondContact O-CB 3.39Å; S428-F441 VanDerWaalsContact OG-C 3.28Å; S428-F441 VanDerWaalsContact OG-CA 3.25Å; S428-F441 WeakPolarHBondContact OG-CA 3.29Å; S428-F441 WeakPolarHBondContact OG-CB 3.44Å; S428-F441 PolarHBondContact OG-O 3.18Å; Q431-F441 HydrophobicContact CB-CD1 3.37Å; Q431-F441 HydrophobicContact CB-CD2 4.1Å; Q431-F441 HydrophobicContact CB-CE1 3.42Å; Q431-F441 VanDerWaalsContact CB-CE1 3.42Å; Q431-F441 HydrophobicContact CB-CE2 4.14Å; Q431-F441 HydrophobicContact CB-CG 3.74Å; Q431-F441 HydrophobicContact CB-CZ 3.81Å; Q431-F441 HydrophobicContact CG-CD1 4.1Å; Q431-F441 HydrophobicContact CG-CE1 3.86Å; Q431-F441 HydrophobicContact CG-CZ 4.43Å; I437-F441 HydrophobicContact CB-CZ 4.48Å; F439-F441 VanDerWaalsContact C-N 3.31Å; F439-F441 HydrophobicContact CB-CD2 4.39Å; F439-F441 HydrophobicContact CB-CE1 4.2Å; F439-F441 HydrophobicContact CB-CE2 3.94Å; F439-F441 HydrophobicContact CB-CZ 3.84Å; F439-F441 HydrophobicContact CD1-CB 4.49Å; F439-F441 AromaticContact CD1-CD1 3.43Å; F439-F441 HydrophobicContact CD1-CD1 3.43Å; F439-F441 VanDerWaalsContact CD1-CD1 3.43Å; F439-F441 HydrophobicContact CD1-CD2 4.32Å; F439-F441 AromaticContact CD1-CE1 3.55Å; F439-F441 HydrophobicContact CD1-CE1 3.55Å; F439-F441 HydrophobicContact CD1-CE2 4.42Å; F439-F441 AromaticContact CD1-CG 3.83Å; F439-F441 HydrophobicContact CD1-CG 3.83Å; F439-F441 HydrophobicContact CD1-CZ 4.07Å; F439-F441 AromaticContact CE1-CD1 3.97Å; F439-F441 HydrophobicContact CE1-CD1 3.97Å; F439-F441 HydrophobicContact CE1-CE1 4.25Å; F439-F441 HydrophobicContact CG-CD1 4.41Å; F439-F441 HydrophobicContact CG-CE1 4.17Å; F439-F441 HydrophobicContact CG-CZ 4.31Å; F439-F441 VanDerWaalsContact O-CD2 3.29Å; F439-F441 WeakPolarHBondContact O-CD2 3.06Å; F439-F441 PolarHBondContact O-N 3.43Å; F441-A445 PolarHBondContact O-N 2.96Å; F441-A445 VanDerWaalsContact O-N 3.12Å
442	M	93.9	Very high	89.8	Confident	20 Å²	20	29.2 Å²	29.2	10%	0.099	15%	0.145	C	C	.	.	H	α-helix	trans	-72.6	-44.9	177.8	-69.4	-64.2	-86.4	0	0	111.8	P224 E228 A229 M232 L429 D440 Y444 A445 K446	P224-M442 HydrophobicContact CB-CE 4.15Å; P224-M442 HydrophobicContact CB-CG 4.03Å; P224-M442 HydrophobicContact CB-SD 4.41Å; P224-M442 HydrophobicContact CG-CE 4.12Å; P224-M442 HydrophobicContact CG-CG 3.38Å; P224-M442 HydrophobicContact CG-SD 3.74Å; E228-M442 HydrophobicContact CB-CE 4.48Å; A229-M442 HydrophobicContact CB-SD 4.43Å; M232-M442 HydrophobicContact CB-CE 3.92Å; M232-M442 HydrophobicContact CE-CE 3.57Å; M232-M442 HydrophobicContact CG-CE 4.11Å; L429-M442 HydrophobicContact CD2-CE 4.3Å; L429-M442 HydrophobicContact CD2-SD 3.41Å; L429-M442 WeakPolarHBondContact CD2-SD 3.14Å; D440-M442 PolarHBondContact O-N 3.08Å; D440-M442 PolarHBondContact OD1-N 3.04Å; M442-Y444 VanDerWaalsContact C-N 3.31Å; M442-A445 PolarHBondContact O-N 3.28Å; M442-K446 WeakPolarHBondContact O-CG 3.45Å; M442-K446 PolarHBondContact O-N 2.68Å
443	D	95.9	Very high	90.4	Very high	55 Å²	55	32.9 Å²	32.9	29%	0.294	16%	0.16	S	C	.	.	H	α-helix	trans	-61	-43.9	175.4	-176.9	73.2	0	0	0	110.8	P319 Y321 D440 A445 K446 V447	P319-D443 HydrophobicContact CB-CB 4.31Å; P319-D443 WeakPolarHBondContact CB-OD2 3.3Å; Y321-D443 PolarHBondContact OH-OD2 2.97Å; D440-D443 HydrophobicContact CB-CB 3.95Å; D440-D443 PolarHBondContact O-N 3.44Å; D440-D443 PolarHBondContact OD1-N 3.08Å; D443-A445 PolarHBondContact O-N 3.32Å; D443-K446 WeakPolarHBondContact O-CB 3.47Å; D443-K446 PolarHBondContact O-N 3.5Å; D443-K446 VanDerWaalsContact O-N 3.11Å; D443-V447 WeakPolarHBondContact O-CG2 3.35Å; D443-V447 PolarHBondContact O-N 2.61Å
444	Y	97.1	Very high	91.1	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.02	18%	0.178	C	C	.	.	H	α-helix	trans	-58.3	-45.2	176.6	-173.3	-104.9	0	0	0	112.9	Y311 Y313 Y321 W424 W427 S428 F439 D440 M442 K446 V447 R448	Y311-Y444 AromaticContact CD1-CE2 3.79Å; Y311-Y444 HydrophobicContact CD1-CE2 3.79Å; Y311-Y444 HydrophobicContact CE1-CE2 4.13Å; Y311-Y444 HydrophobicContact CG-CE2 4.46Å; Y313-Y444 HydrophobicContact CE1-CE2 4.04Å; Y313-Y444 PolarHBondContact OH-OH 2.95Å; Y313-Y444 VanDerWaalsContact OH-OH 3.06Å; Y321-Y444 HydrophobicContact CD1-CD2 4.07Å; Y321-Y444 HydrophobicContact CD2-CD2 4.19Å; Y321-Y444 AromaticContact CE1-CD2 3.84Å; Y321-Y444 HydrophobicContact CE1-CD2 3.84Å; Y321-Y444 HydrophobicContact CE1-CG 4.37Å; Y321-Y444 AromaticContact CE2-CD2 3.96Å; Y321-Y444 HydrophobicContact CE2-CD2 3.96Å; Y321-Y444 HydrophobicContact CG-CD2 4.26Å; Y321-Y444 AromaticContact CZ-CD2 3.81Å; Y321-Y444 WeakPolarHBondContact OH-CA 3.49Å; Y321-Y444 PolarHBondContact OH-N 3.32Å; W424-Y444 HydrophobicContact CB-CE1 4.49Å; W427-Y444 HydrophobicContact CZ3-CE1 4.4Å; S428-Y444 WeakPolarHBondContact OG-CD1 3.46Å; F439-Y444 HydrophobicContact CE1-CD1 4.19Å; F439-Y444 HydrophobicContact CE1-CD2 4.04Å; F439-Y444 AromaticContact CE1-CG 3.68Å; F439-Y444 HydrophobicContact CE1-CG 3.68Å; F439-Y444 AromaticContact CZ-CD2 3.69Å; F439-Y444 HydrophobicContact CZ-CD2 3.69Å; F439-Y444 HydrophobicContact CZ-CE2 4.23Å; F439-Y444 AromaticContact CZ-CG 3.83Å; F439-Y444 HydrophobicContact CZ-CG 3.83Å; D440-Y444 PolarHBondContact O-N 2.58Å; M442-Y444 VanDerWaalsContact C-N 3.31Å; Y444-K446 VanDerWaalsContact C-N 3.31Å; Y444-K446 PolarHBondContact O-N 2.99Å; Y444-V447 PolarHBondContact O-N 2.81Å; Y444-R448 HydrophobicContact CD1-CG 4.02Å; Y444-R448 HydrophobicContact CD2-CG 4.49Å; Y444-R448 HydrophobicContact CE1-CG 3.76Å; Y444-R448 HydrophobicContact CE2-CG 4.23Å; Y444-R448 HydrophobicContact CG-CG 4.4Å; Y444-R448 WeakPolarHBondContact O-CB 3.45Å; Y444-R448 VanDerWaalsContact O-CG 3.26Å; Y444-R448 WeakPolarHBondContact O-CG 3.11Å; Y444-R448 PolarHBondContact O-N 3.49Å; Y444-R448 PolarHBondContact OH-NH1 3.02Å
445	A	97.7	Very high	92	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.8	-42.2	175.5	0	0	0	0	0	112.2	L236 S425 L429 F441 M442 D443 M449	L236-A445 HydrophobicContact CD1-CB 4.38Å; S425-A445 PolarHBondContact OG-O 3.05Å; L429-A445 HydrophobicContact CD2-CB 3.61Å; L429-A445 HydrophobicContact CG-CB 3.87Å; F441-A445 PolarHBondContact O-N 2.96Å; F441-A445 VanDerWaalsContact O-N 3.12Å; M442-A445 PolarHBondContact O-N 3.28Å; D443-A445 PolarHBondContact O-N 3.32Å; A445-M449 WeakPolarHBondContact O-CG 3.34Å; A445-M449 PolarHBondContact O-N 3.27Å; A445-M449 VanDerWaalsContact O-N 3.1Å
446	K	97.7	Very high	93.1	Very high	74 Å²	74	37 Å²	37	32%	0.322	18%	0.18	S	C	.	.	H	α-helix	trans	-63.6	-46.7	176.8	-70.1	179	179.5	-174.4	0	111.9	M232 M442 D443 Y444 M449 Q450	M232-K446 HydrophobicContact CE-CD 4.42Å; M232-K446 HydrophobicContact SD-CD 4.22Å; M232-K446 WeakPolarHBondContact SD-CE 3.49Å; M232-K446 HydrophobicContact SD-CG 3.84Å; M442-K446 WeakPolarHBondContact O-CG 3.45Å; M442-K446 PolarHBondContact O-N 2.68Å; D443-K446 WeakPolarHBondContact O-CB 3.47Å; D443-K446 PolarHBondContact O-N 3.5Å; D443-K446 VanDerWaalsContact O-N 3.11Å; Y444-K446 VanDerWaalsContact C-N 3.31Å; Y444-K446 PolarHBondContact O-N 2.99Å; K446-M449 PolarHBondContact O-N 3.41Å; K446-Q450 WeakPolarHBondContact O-CG 3.5Å; K446-Q450 PolarHBondContact O-N 2.89Å
447	V	97.9	Very high	94.3	Very high	16 Å²	16	39.7 Å²	39.7	10%	0.097	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-43.2	-179.1	172.4	0	0	0	0	111.2	Y311 Y321 H323 D443 Y444 M449 Q450 H451	Y311-V447 HydrophobicContact CE1-CG1 4.2Å; Y321-V447 HydrophobicContact CE2-CG1 4.37Å; Y321-V447 VanDerWaalsContact OH-CG2 3.23Å; Y321-V447 WeakPolarHBondContact OH-CG2 3.34Å; H323-V447 HydrophobicContact CB-CG1 3.91Å; H323-V447 VanDerWaalsContact CG-CG1 3.45Å; H323-V447 VanDerWaalsContact ND1-CG1 3.33Å; H323-V447 WeakPolarHBondContact ND1-CG1 3.42Å; D443-V447 WeakPolarHBondContact O-CG2 3.35Å; D443-V447 PolarHBondContact O-N 2.61Å; Y444-V447 PolarHBondContact O-N 2.81Å; V447-M449 VanDerWaalsContact C-N 3.29Å; V447-M449 PolarHBondContact O-N 3.47Å; V447-Q450 PolarHBondContact O-N 3.43Å; V447-H451 PolarHBondContact O-N 3.34Å
448	R	98.5	Very high	95.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-41.4	174.1	-66.4	-67.9	-83.9	-149.2	10.9	111	E308 Y311 S420 H421 S425 Y444 H451 Y452	E308-R448 IonicContact OE1-CZ 2.68Å; E308-R448 IonicContact OE1-NH1 3.96Å; E308-R448 PolarHBondContact OE1-NH1 3.26Å; E308-R448 IonicContact OE1-NH2 3.71Å; E308-R448 PolarHBondContact OE1-NH2 3.44Å; Y311-R448 VanDerWaalsContact CD2-NH1 3.32Å; Y311-R448 HydrophobicContact CE1-CG 4.46Å; Y311-R448 VanDerWaalsContact CE2-NH1 3.33Å; Y311-R448 WeakPolarHBondContact OH-CD 3.17Å; S420-R448 PolarHBondContact OG-NH2 3Å; S420-R448 VanDerWaalsContact OG-NH2 3.1Å; H421-R448 PolarHBondContact ND1-NE 2.95Å; S425-R448 VanDerWaalsContact OG-CB 3.25Å; S425-R448 WeakPolarHBondContact OG-CB 3.43Å; Y444-R448 HydrophobicContact CD1-CG 4.02Å; Y444-R448 HydrophobicContact CD2-CG 4.49Å; Y444-R448 HydrophobicContact CE1-CG 3.76Å; Y444-R448 HydrophobicContact CE2-CG 4.23Å; Y444-R448 HydrophobicContact CG-CG 4.4Å; Y444-R448 WeakPolarHBondContact O-CB 3.45Å; Y444-R448 VanDerWaalsContact O-CG 3.26Å; Y444-R448 WeakPolarHBondContact O-CG 3.11Å; Y444-R448 PolarHBondContact O-N 3.49Å; Y444-R448 PolarHBondContact OH-NH1 3.02Å; R448-H451 PolarHBondContact O-N 3.39Å; R448-Y452 PolarHBondContact O-N 3.48Å
449	M	98.3	Very high	96	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-73.6	-33.7	177.7	-74.6	-54.9	-63	0	0	114.7	L236 L238 L422 S425 A445 K446 V447 H451 Y452 H453	L236-M449 HydrophobicContact CB-CG 4.11Å; L236-M449 HydrophobicContact CD1-CB 4.35Å; L236-M449 HydrophobicContact CD1-CG 3.87Å; L236-M449 HydrophobicContact CD2-CB 3.87Å; L236-M449 HydrophobicContact CD2-CG 4.19Å; L236-M449 HydrophobicContact CG-CB 4.5Å; L236-M449 HydrophobicContact CG-CG 4.27Å; L236-M449 WeakPolarHBondContact O-CE 3.34Å; L238-M449 HydrophobicContact CD2-CE 4.04Å; L238-M449 HydrophobicContact CD2-CG 3.9Å; L238-M449 HydrophobicContact CD2-SD 3.47Å; L238-M449 WeakPolarHBondContact CD2-SD 3.48Å; L422-M449 HydrophobicContact CD2-CE 3.86Å; L422-M449 HydrophobicContact CD2-SD 3.71Å; L422-M449 HydrophobicContact CG-SD 4.49Å; S425-M449 WeakPolarHBondContact OG-CG 3.29Å; A445-M449 WeakPolarHBondContact O-CG 3.34Å; A445-M449 PolarHBondContact O-N 3.27Å; A445-M449 VanDerWaalsContact O-N 3.1Å; K446-M449 PolarHBondContact O-N 3.41Å; V447-M449 VanDerWaalsContact C-N 3.29Å; V447-M449 PolarHBondContact O-N 3.47Å; M449-H451 VanDerWaalsContact C-N 3.3Å; M449-H451 PolarHBondContact O-N 2.64Å; M449-Y452 HydrophobicContact CE-CD1 3.68Å; M449-Y452 HydrophobicContact CE-CE1 4.25Å; M449-Y452 HydrophobicContact CE-CG 4.07Å; M449-Y452 WeakPolarHBondContact O-CB 3.35Å; M449-Y452 PolarHBondContact O-N 3.3Å; M449-Y452 HydrophobicContact SD-CD1 4.46Å; M449-Y452 HydrophobicContact SD-CG 4.26Å; M449-H453 PolarHBondContact O-CD2 3.37Å; M449-H453 PolarHBondContact O-N 2.95Å
450	Q	97.6	Very high	96.4	Very high	130 Å²	130	35.8 Å²	35.8	61%	0.607	18%	0.18	S	C	*	.	H	α-helix	trans	-60.8	-43.4	170.9	-73.2	170.8	-0.4	0	0	110.9	K446 V447 H453 L454	K446-Q450 WeakPolarHBondContact O-CG 3.5Å; K446-Q450 PolarHBondContact O-N 2.89Å; V447-Q450 PolarHBondContact O-N 3.43Å; Q450-H453 PolarHBondContact O-N 3.25Å; Q450-L454 PolarHBondContact O-N 2.6Å
451	H	97.8	Very high	96.5	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-44.9	175.2	-162.8	162.3	0	0	0	110.9	Y311 H323 I325 H421 V447 R448 M449 H453 L454 M455	Y311-H451 PolarHBondContact OH-ND1 3Å; H323-H451 AromaticContact NE2-ND1 3.29Å; H323-H451 PolarHBondContact NE2-ND1 2.76Å; I325-H451 VanDerWaalsContact CD1-CD2 3.43Å; I325-H451 WeakPolarHBondContact CD1-CD2 3.24Å; I325-H451 WeakPolarHBondContact CD1-NE2 3.47Å; I325-H451 WeakPolarHBondContact CG1-NE2 3.44Å; H421-H451 AromaticContact CE1-CG 3.63Å; H421-H451 AromaticContact CE1-ND1 3.57Å; H421-H451 AromaticContact NE2-CD2 3.68Å; H421-H451 AromaticContact NE2-CE1 3.96Å; H421-H451 AromaticContact NE2-CG 3.48Å; H421-H451 AromaticContact NE2-ND1 3.72Å; H421-H451 AromaticContact NE2-NE2 3.99Å; V447-H451 PolarHBondContact O-N 3.34Å; R448-H451 PolarHBondContact O-N 3.39Å; M449-H451 VanDerWaalsContact C-N 3.3Å; M449-H451 PolarHBondContact O-N 2.64Å; H451-H453 PolarHBondContact O-N 3.45Å; H451-L454 PolarHBondContact O-N 3.09Å; H451-M455 PolarHBondContact O-N 3.42Å
452	Y	98.4	Very high	96.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-49.3	-52.9	173.1	171.9	-89.5	0	0	0	112.8	E241 W244 L418 H421 L422 R448 M449 L454 M455 K456	E241-Y452 HydrophobicContact CB-CE1 4.29Å; E241-Y452 HydrophobicContact CG-CE1 4Å; E241-Y452 PolarHBondContact OE2-OH 3.34Å; W244-Y452 WeakPolarHBondContact CZ3-OH 3.22Å; L418-Y452 HydrophobicContact CB-CD2 3.97Å; L418-Y452 HydrophobicContact CB-CE2 3.72Å; L418-Y452 HydrophobicContact CD2-CD2 3.51Å; L418-Y452 HydrophobicContact CD2-CE2 3.68Å; L418-Y452 HydrophobicContact CD2-CG 4.07Å; L418-Y452 VanDerWaalsContact CD2-O 3.26Å; L418-Y452 WeakPolarHBondContact CD2-O 3.5Å; L418-Y452 HydrophobicContact CG-CD2 4.33Å; L418-Y452 HydrophobicContact CG-CE2 4.19Å; L418-Y452 WeakPolarHBondContact O-CD2 3.43Å; H421-Y452 HydrophobicContact CB-CD2 4.26Å; L422-Y452 HydrophobicContact CD1-CD2 4.18Å; L422-Y452 HydrophobicContact CD1-CE2 3.43Å; L422-Y452 VanDerWaalsContact CD1-CE2 3.43Å; L422-Y452 HydrophobicContact CD2-CD2 4.33Å; L422-Y452 HydrophobicContact CD2-CE2 4.1Å; L422-Y452 HydrophobicContact CG-CD2 3.77Å; L422-Y452 HydrophobicContact CG-CE2 3.52Å; R448-Y452 PolarHBondContact O-N 3.48Å; M449-Y452 HydrophobicContact CE-CD1 3.68Å; M449-Y452 HydrophobicContact CE-CE1 4.25Å; M449-Y452 HydrophobicContact CE-CG 4.07Å; M449-Y452 WeakPolarHBondContact O-CB 3.35Å; M449-Y452 PolarHBondContact O-N 3.3Å; M449-Y452 HydrophobicContact SD-CD1 4.46Å; M449-Y452 HydrophobicContact SD-CG 4.26Å; Y452-L454 VanDerWaalsContact C-N 3.32Å; Y452-L454 PolarHBondContact O-N 3.38Å; Y452-M455 PolarHBondContact O-N 3.43Å; Y452-K456 HydrophobicContact CE1-CD 3.88Å; Y452-K456 WeakPolarHBondContact O-CB 3.4Å; Y452-K456 PolarHBondContact O-N 2.91Å
453	H	97.6	Very high	96.4	Very high	85 Å²	85	53.2 Å²	53.2	39%	0.394	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-36.8	-177	-69.6	-56.9	0	0	0	112.5	M449 Q450 H451 K456 S457	M449-H453 PolarHBondContact O-CD2 3.37Å; M449-H453 PolarHBondContact O-N 2.95Å; Q450-H453 PolarHBondContact O-N 3.25Å; H451-H453 PolarHBondContact O-N 3.45Å; H453-K456 PolarHBondContact O-N 3.2Å; H453-S457 PolarHBondContact O-N 3Å
454	L	96.9	Very high	96.1	Very high	79 Å²	79	55.1 Å²	55.1	41%	0.414	26%	0.26	S	S	.	.	H	α-helix	trans	-66	-45.9	175.3	-179.9	49.3	0	0	0	111.3	I325 Q450 H451 Y452 K456 S457 W458	I325-L454 HydrophobicContact CD1-CB 4.47Å; I325-L454 HydrophobicContact CD1-CD2 3.29Å; I325-L454 HydrophobicContact CD1-CG 3.98Å; Q450-L454 PolarHBondContact O-N 2.6Å; H451-L454 PolarHBondContact O-N 3.09Å; Y452-L454 VanDerWaalsContact C-N 3.32Å; Y452-L454 PolarHBondContact O-N 3.38Å; L454-K456 VanDerWaalsContact C-N 3.34Å; L454-K456 PolarHBondContact O-N 2.81Å; L454-S457 WeakPolarHBondContact O-CB 3.26Å; L454-S457 PolarHBondContact O-N 2.95Å; L454-S457 VanDerWaalsContact O-N 3.17Å; L454-S457 PolarHBondContact O-OG 3.26Å; L454-W458 HydrophobicContact CG-CZ2 4.39Å; L454-W458 VanDerWaalsContact O-CD1 3.27Å; L454-W458 PolarHBondContact O-NE1 3.45Å
455	M	96.7	Very high	96	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-38.6	175.8	-70.1	-172.2	73.2	0	0	112.7	Y328 I414 L418 H421 H451 Y452 S457 W458	Y328-M455 HydrophobicContact CE1-CE 4.07Å; Y328-M455 HydrophobicContact CE2-CE 3.83Å; Y328-M455 HydrophobicContact CE2-SD 4.22Å; Y328-M455 VanDerWaalsContact CZ-CE 3.48Å; Y328-M455 WeakPolarHBondContact OH-CE 3.43Å; I414-M455 HydrophobicContact CD1-CE 3.81Å; L418-M455 HydrophobicContact CD2-CB 3.78Å; H421-M455 PolarHBondContact NE2-SD 3.03Å; H451-M455 PolarHBondContact O-N 3.42Å; Y452-M455 PolarHBondContact O-N 3.43Å; M455-S457 PolarHBondContact O-N 3.22Å; M455-W458 HydrophobicContact CB-CD2 4.49Å; M455-W458 HydrophobicContact CB-CE3 4.26Å; M455-W458 HydrophobicContact CB-CZ3 4.4Å; M455-W458 HydrophobicContact CE-CE3 4.21Å; M455-W458 HydrophobicContact CE-CZ3 3.74Å; M455-W458 HydrophobicContact CG-CD2 4.46Å; M455-W458 HydrophobicContact CG-CE3 4.03Å; M455-W458 HydrophobicContact CG-CH2 3.77Å; M455-W458 HydrophobicContact CG-CZ2 4.2Å; M455-W458 HydrophobicContact CG-CZ3 3.69Å; M455-W458 VanDerWaalsContact O-CB 3.24Å; M455-W458 WeakPolarHBondContact O-CB 3.44Å; M455-W458 PolarHBondContact O-N 2.79Å; M455-W458 HydrophobicContact SD-CZ3 4.37Å
456	K	97.7	Very high	95.9	Very high	36 Å²	36	60.7 Å²	60.7	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-60.6	-32.5	177.1	-171.2	174.3	-179.8	177.5	0	110.8	E241 W244 L418 Y452 H453 L454 W458 L459 L464	E241-K456 IonicContact OE1-NZ 2.62Å; E241-K456 PolarHBondContact OE1-NZ 3.48Å; E241-K456 IonicContact OE2-NZ 2.72Å; E241-K456 PolarHBondContact OE2-NZ 3.33Å; W244-K456 HydrophobicContact CH2-CD 4.26Å; W244-K456 HydrophobicContact CH2-CG 4.36Å; W244-K456 HydrophobicContact CZ3-CD 4.2Å; L418-K456 HydrophobicContact CD1-CB 4.38Å; L418-K456 HydrophobicContact CD2-CB 3.95Å; Y452-K456 HydrophobicContact CE1-CD 3.88Å; Y452-K456 WeakPolarHBondContact O-CB 3.4Å; Y452-K456 PolarHBondContact O-N 2.91Å; H453-K456 PolarHBondContact O-N 3.2Å; L454-K456 VanDerWaalsContact C-N 3.34Å; L454-K456 PolarHBondContact O-N 2.81Å; K456-W458 PolarHBondContact O-N 3.28Å; K456-L459 PolarHBondContact O-N 3.44Å; K456-L464 HydrophobicContact CG-CD2 4Å
457	S	96.7	Very high	95.8	Very high	81 Å²	81	59.9 Å²	59.9	57%	0.566	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.8	174.6	83.3	0	0	0	0	114.4	H453 L454 M455 L459	H453-S457 PolarHBondContact O-N 3Å; L454-S457 WeakPolarHBondContact O-CB 3.26Å; L454-S457 PolarHBondContact O-N 2.95Å; L454-S457 VanDerWaalsContact O-N 3.17Å; L454-S457 PolarHBondContact O-OG 3.26Å; M455-S457 PolarHBondContact O-N 3.22Å; S457-L459 VanDerWaalsContact C-N 3.35Å
458	W	95.7	Very high	95.7	Very high	87 Å²	87	62.5 Å²	62.5	33%	0.33	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-24.6	175.4	-54.9	-14.3	0	0	0	111.9	I325 Y328 W410 I414 L454 M455 K456	I325-W458 HydrophobicContact CD1-CZ2 4.49Å; Y328-W458 HydrophobicContact CD1-CH2 4.03Å; Y328-W458 AromaticContact CD1-CZ3 3.91Å; Y328-W458 HydrophobicContact CD1-CZ3 3.91Å; Y328-W458 HydrophobicContact CE1-CH2 4.41Å; Y328-W458 AromaticContact CE1-CZ3 3.85Å; Y328-W458 HydrophobicContact CE1-CZ3 3.85Å; Y328-W458 HydrophobicContact CG-CH2 4.44Å; W410-W458 HydrophobicContact CH2-CB 4.29Å; W410-W458 WeakPolarHBondContact CH2-O 3.36Å; W410-W458 HydrophobicContact CZ2-CB 4.24Å; I414-W458 HydrophobicContact CD1-CE3 3.77Å; I414-W458 HydrophobicContact CD1-CZ3 4.19Å; L454-W458 HydrophobicContact CG-CZ2 4.39Å; L454-W458 VanDerWaalsContact O-CD1 3.27Å; L454-W458 PolarHBondContact O-NE1 3.45Å; M455-W458 HydrophobicContact CB-CD2 4.49Å; M455-W458 HydrophobicContact CB-CE3 4.26Å; M455-W458 HydrophobicContact CB-CZ3 4.4Å; M455-W458 HydrophobicContact CE-CE3 4.21Å; M455-W458 HydrophobicContact CE-CZ3 3.74Å; M455-W458 HydrophobicContact CG-CD2 4.46Å; M455-W458 HydrophobicContact CG-CE3 4.03Å; M455-W458 HydrophobicContact CG-CH2 3.77Å; M455-W458 HydrophobicContact CG-CZ2 4.2Å; M455-W458 HydrophobicContact CG-CZ3 3.69Å; M455-W458 VanDerWaalsContact O-CB 3.24Å; M455-W458 WeakPolarHBondContact O-CB 3.44Å; M455-W458 PolarHBondContact O-N 2.79Å; M455-W458 HydrophobicContact SD-CZ3 4.37Å; K456-W458 PolarHBondContact O-N 3.28Å
459	L	95.5	Very high	95.6	Very high	9 Å²	9	66.4 Å²	66.4	5%	0.047	31%	0.314	C	S	.	.	S	Bend	trans	-63.7	135.2	-178.3	-72.9	172.5	0	0	0	111.7	W244 I411 I414 Y415 L418 K456 S457 H463 L464	W244-L459 HydrophobicContact CH2-CD1 4.21Å; I411-L459 HydrophobicContact CD1-CD2 3.8Å; I414-L459 HydrophobicContact CB-CD2 4.1Å; I414-L459 HydrophobicContact CG2-CD1 4.39Å; I414-L459 HydrophobicContact CG2-CD2 3.65Å; I414-L459 HydrophobicContact CG2-CG 3.83Å; Y415-L459 HydrophobicContact CE2-CD1 4.45Å; Y415-L459 HydrophobicContact CE2-CD2 4.24Å; L418-L459 HydrophobicContact CD1-CD1 3.8Å; K456-L459 PolarHBondContact O-N 3.44Å; S457-L459 VanDerWaalsContact C-N 3.35Å; L459-H463 HydrophobicContact CD2-CB 4.39Å; L459-L464 HydrophobicContact CB-CD2 4Å; L459-L464 HydrophobicContact CB-CG 4.35Å; L459-L464 HydrophobicContact CD1-CD2 4.17Å
460	P	94.1	Very high	95.4	Very high	36 Å²	36	70.8 Å²	70.8	23%	0.234	34%	0.335	C	S	.	.			trans	-57.5	152.5	167.5	-22.6	32.4	0	0	0	111.8	W410 I411 E462 H463	W410-P460 HydrophobicContact CZ3-CG 4.35Å; I411-P460 HydrophobicContact CD1-CG 4.3Å; P460-E462 VanDerWaalsContact C-N 3.25Å; P460-E462 HydrophobicContact CB-CG 4.15Å; P460-E462 WeakPolarHBondContact CB-OE1 3.41Å; P460-E462 WeakPolarHBondContact CB-OE2 3.5Å; P460-E462 PolarHBondContact O-N 2.92Å; P460-H463 PolarHBondContact O-N 3.5Å
461	R	92.9	Very high	95.2	Very high	226 Å²	226	66.6 Å²	66.6	85%	0.853	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-61.3	-33.5	-172	-72.4	-176.6	177.9	-178.3	-0.7	113.4	H463 L464	R461-H463 PolarHBondContact O-N 3.32Å; R461-L464 PolarHBondContact O-N 3.12Å
462	E	92	Very high	95	Very high	146 Å²	146	71.5 Å²	71.5	68%	0.682	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-65.5	-19.4	176.7	58.1	-91.8	-142.4	0	0	113.3	P460	P460-E462 VanDerWaalsContact C-N 3.25Å; P460-E462 HydrophobicContact CB-CG 4.15Å; P460-E462 WeakPolarHBondContact CB-OE1 3.41Å; P460-E462 WeakPolarHBondContact CB-OE2 3.5Å; P460-E462 PolarHBondContact O-N 2.92Å
463	H	91	Very high	94.7	Very high	49 Å²	49	77.4 Å²	77.4	23%	0.227	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-96.5	-11.2	177.2	-64.6	-60.4	0	0	0	112.9	K248 Y253 I411 Y415 L459 P460 R461	K248-H463 PolarHBondContact NZ-O 2.86Å; Y253-H463 PolarHBondContact OH-CE1 3.01Å; Y253-H463 PolarHBondContact OH-ND1 3.01Å; I411-H463 VanDerWaalsContact CD1-CD2 3.48Å; I411-H463 WeakPolarHBondContact CD1-CD2 3.44Å; Y415-H463 PolarHBondContact OH-O 3.23Å; L459-H463 HydrophobicContact CD2-CB 4.39Å; P460-H463 PolarHBondContact O-N 3.5Å; R461-H463 PolarHBondContact O-N 3.32Å
464	L	90.1	Very high	94.5	Very high	95 Å²	95	76.7 Å²	76.7	50%	0.497	36%	0.364	S	S	.	.			trans	-74.2	0	179.4	-70.2	174.7	0	0	0	113.9	W244 K248 K456 L459 R461	W244-L464 WeakPolarHBondContact CZ2-OXT 3.41Å; W244-L464 PolarHBondContact NE1-OXT 2.88Å; K248-L464 PolarHBondContact NZ-O 3.29Å; K248-L464 PolarHBondContact NZ-OXT 3.08Å; K456-L464 HydrophobicContact CG-CD2 4Å; L459-L464 HydrophobicContact CB-CD2 4Å; L459-L464 HydrophobicContact CB-CG 4.35Å; L459-L464 HydrophobicContact CD1-CD2 4.17Å; R461-L464 PolarHBondContact O-N 3.12Å

Retrieved 464 of 464 residues in 103.3 ms (Link to these results)

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