A0A1S3P2K7_SALSA Loading...

E3 ubiquitin-protein ligase TRIM62 isoform X2

AlphaFold DB , UniProt , Accession A0A1S3P2K7, Species SALSA (Salmo salar, Atlantic salmon), Gene trim62.1, Length 476 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	30.7	Very low	63.8	Low	244 Å²	244	91.6 Å²	91.6	100%	1.202	51%	0.51	S	S	*	.				0	102.2	0	-70	173.9	-155	0	0	106
2	A	35.6	Very low	65.7	Low	102 Å²	102	88.3 Å²	88.3	84%	0.843	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-80.9	121.7	176.7	0	0	0	0	0	107.3	C4	A2-C4 PolarHBondContact O-N 3.38Å
3	C	39.4	Very low	67.3	Low	97 Å²	97	86.4 Å²	86.4	66%	0.655	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-60.5	133.4	175	-64.8	0	0	0	0	109
4	C	59.3	Low	68.9	Low	68 Å²	68	84 Å²	84	46%	0.459	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-69.9	138.8	177.5	-177.4	0	0	0	0	108.2	A2 K6 D7	A2-C4 PolarHBondContact O-N 3.38Å; C4-K6 HydrophobicContact CB-CB 4.44Å; C4-K6 PolarHBondContact O-N 3.39Å; C4-D7 WeakPolarHBondContact CB-OD2 3.25Å; C4-D7 PolarHBondContact N-OD2 3.38Å; C4-D7 WeakPolarHBondContact O-CB 3.33Å; C4-D7 PolarHBondContact O-N 3.46Å
5	L	65.4	Low	69.9	Low	119 Å²	119	87.1 Å²	87.1	62%	0.623	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-26.2	176.9	-171.9	71.6	0	0	0	112.1	D7 E8 Y75	L5-D7 VanDerWaalsContact C-N 3.31Å; L5-D7 PolarHBondContact O-N 2.96Å; L5-E8 PolarHBondContact O-N 3.03Å; L5-Y75 HydrophobicContact CD2-CD2 4.48Å
6	K	69.1	Low	70.8	Confident	91 Å²	91	85.8 Å²	85.8	40%	0.396	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-38.6	173.3	-170.2	177.2	179.5	176.5	0	113	C4 E8 L9 L10 Y75	C4-K6 HydrophobicContact CB-CB 4.44Å; C4-K6 PolarHBondContact O-N 3.39Å; K6-E8 VanDerWaalsContact C-N 3.3Å; K6-E8 PolarHBondContact O-N 3.29Å; K6-L9 PolarHBondContact O-N 3.32Å; K6-L10 WeakPolarHBondContact O-CG 3.41Å; K6-Y75 WeakPolarHBondContact CB-OH 3.32Å
7	D	71.9	Confident	71.5	Confident	92 Å²	92	83.5 Å²	83.5	49%	0.492	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-70.7	-29	-174.1	-58.2	-33.2	0	0	0	111.5	C4 L5 L9	C4-D7 WeakPolarHBondContact CB-OD2 3.25Å; C4-D7 PolarHBondContact N-OD2 3.38Å; C4-D7 WeakPolarHBondContact O-CB 3.33Å; C4-D7 PolarHBondContact O-N 3.46Å; L5-D7 VanDerWaalsContact C-N 3.31Å; L5-D7 PolarHBondContact O-N 2.96Å; D7-L9 VanDerWaalsContact C-N 3.27Å; D7-L9 PolarHBondContact O-N 3.27Å
8	E	75.9	Confident	72.3	Confident	137 Å²	137	80.2 Å²	80.2	64%	0.64	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-77.2	-8.5	177.1	-62.2	-68.4	160.6	0	0	113.5	L5 K6	L5-E8 PolarHBondContact O-N 3.03Å; K6-E8 VanDerWaalsContact C-N 3.3Å; K6-E8 PolarHBondContact O-N 3.29Å
9	L	83.5	Confident	72.9	Confident	11 Å²	11	83.8 Å²	83.8	6%	0.058	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-110.1	12.1	-177.3	-63	178.5	0	0	0	113.2	K6 D7 I17 Y18 L68 I71 V72 Y75	K6-L9 PolarHBondContact O-N 3.32Å; D7-L9 VanDerWaalsContact C-N 3.27Å; D7-L9 PolarHBondContact O-N 3.27Å; L9-I17 WeakPolarHBondContact O-CA 3.37Å; L9-Y18 WeakPolarHBondContact O-CD2 3.18Å; L9-Y18 PolarHBondContact O-N 3.27Å; L9-Y18 VanDerWaalsContact O-N 3.08Å; L9-L68 HydrophobicContact CD2-CD1 3.87Å; L9-I71 HydrophobicContact CD1-CG2 4.29Å; L9-I71 HydrophobicContact CD2-CG2 3.88Å; L9-V72 HydrophobicContact CD2-CG2 4.35Å; L9-Y75 HydrophobicContact CD1-CD1 4.34Å; L9-Y75 HydrophobicContact CD1-CD2 4.14Å; L9-Y75 HydrophobicContact CD1-CG 3.94Å
10	L	84.3	Confident	73.6	Confident	47 Å²	47	83.5 Å²	83.5	25%	0.246	46%	0.462	C	S	.	.	B	Isolated β-bridge	trans	-95.6	137.1	-178	-56.5	179	0	0	0	111.8	K6 S12 S16 I17 Y18	K6-L10 WeakPolarHBondContact O-CG 3.41Å; L10-S12 PolarHBondContact O-N 3.33Å; L10-S16 WeakPolarHBondContact CA-O 3.26Å; L10-I17 HydrophobicContact CD2-CG1 3.83Å; L10-Y18 VanDerWaalsContact O-CZ 3.29Å; L10-Y18 PolarHBondContact O-OH 3.27Å
11	C	87.2	Confident	74.3	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	44%	0.44	C	S	.	.			trans	-71.8	123.7	168.3	177.5	0	0	0	0	110.2	I13 C14 L15 S16 Y18 C31	C11-I13 PolarHBondContact O-N 3.07Å; C11-I13 VanDerWaalsContact O-N 3.1Å; C11-C14 VanDerWaalsContact CB-SG 3.56Å; C11-C14 PolarHBondContact O-N 3.36Å; C11-L15 WeakPolarHBondContact O-CA 3.38Å; C11-L15 PolarHBondContact O-N 3.31Å; C11-S16 PolarHBondContact N-O 3.07Å; C11-Y18 HydrophobicContact CB-CD1 3.59Å; C11-Y18 HydrophobicContact CB-CE1 3.58Å; C11-Y18 HydrophobicContact CB-CG 4.49Å; C11-C31 WeakPolarHBondContact CB-SG 3.37Å; C11-C31 PolarHBondContact SG-N 3.39Å; C11-C31 VanDerWaalsContact SG-SG 3.69Å
12	S	86.5	Confident	77.1	Confident	51 Å²	51	67.9 Å²	67.9	36%	0.357	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16	-179.6	55.7	0	0	0	0	114.9	L10 F30 E52	L10-S12 PolarHBondContact O-N 3.33Å; S12-F30 WeakPolarHBondContact OG-CE1 3.42Å; S12-E52 WeakPolarHBondContact CB-OE1 3.36Å; S12-E52 PolarHBondContact OG-OE1 3.49Å
13	I	86.7	Confident	79.7	Confident	64 Å²	64	64.2 Å²	64.2	33%	0.328	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-49.5	176.6	-59.4	168.7	0	0	0	111.6	C11 F30 C34 I35 P51	C11-I13 PolarHBondContact O-N 3.07Å; C11-I13 VanDerWaalsContact O-N 3.1Å; I13-F30 HydrophobicContact CD1-CB 4.28Å; I13-F30 HydrophobicContact CD1-CD1 3.54Å; I13-F30 HydrophobicContact CD1-CE1 4.2Å; I13-F30 HydrophobicContact CD1-CG 4.13Å; I13-F30 HydrophobicContact CG1-CD1 3.78Å; I13-F30 HydrophobicContact CG1-CE1 4.2Å; I13-C34 HydrophobicContact CB-CB 3.9Å; I13-C34 HydrophobicContact CD1-CB 3.78Å; I13-C34 HydrophobicContact CG1-CB 4.45Å; I13-C34 HydrophobicContact CG2-CB 3.87Å; I13-I35 HydrophobicContact CD1-CD1 4.43Å; I13-P51 HydrophobicContact CD1-CG 4.07Å; I13-P51 HydrophobicContact CG1-CG 4.4Å
14	C	89	Confident	81.7	Confident	53 Å²	53	59.7 Å²	59.7	36%	0.358	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-3.7	-176.6	66.9	0	0	0	0	114.1	C11 S16	C11-C14 VanDerWaalsContact CB-SG 3.56Å; C11-C14 PolarHBondContact O-N 3.36Å; C14-S16 PolarHBondContact O-N 2.84Å; C14-S16 PolarHBondContact O-OG 3.34Å
15	L	84.6	Confident	82.6	Confident	130 Å²	130	59.7 Å²	59.7	68%	0.681	33%	0.332	S	S	*	.			trans	52	25.4	-177.8	-53.8	178.3	0	0	0	113.7	C11	C11-L15 WeakPolarHBondContact O-CA 3.38Å; C11-L15 PolarHBondContact O-N 3.31Å
16	S	83.4	Confident	83.6	Confident	66 Å²	66	54.9 Å²	54.9	46%	0.462	31%	0.308	S	S	.	.	S	Bend	trans	-119.2	159.3	179.9	-59.6	0	0	0	0	109.6	L10 C11 C14 Y18	L10-S16 WeakPolarHBondContact CA-O 3.26Å; C11-S16 PolarHBondContact N-O 3.07Å; C14-S16 PolarHBondContact O-N 2.84Å; C14-S16 PolarHBondContact O-OG 3.34Å; S16-Y18 PolarHBondContact O-N 3.43Å
17	I	83.3	Confident	84.3	Confident	48 Å²	48	58.9 Å²	58.9	25%	0.246	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-53.7	135.8	178.1	-63.4	175.3	0	0	0	109.7	L9 L10 Q19 V72 Y75	L9-I17 WeakPolarHBondContact O-CA 3.37Å; L10-I17 HydrophobicContact CD2-CG1 3.83Å; I17-Q19 PolarHBondContact O-N 2.71Å; I17-V72 HydrophobicContact CG2-CB 4.33Å; I17-V72 HydrophobicContact CG2-CG1 3.39Å; I17-V72 HydrophobicContact CG2-CG2 4.1Å; I17-Y75 HydrophobicContact CD1-CD1 4.08Å; I17-Y75 HydrophobicContact CD1-CE1 3.82Å
18	Y	85.8	Confident	85.1	Confident	24 Å²	24	57.4 Å²	57.4	9%	0.094	32%	0.318	C	S	.	.			trans	-51.9	129.3	-174.9	-72.3	-68.5	0	0	0	113.3	L9 L10 C11 S16 P21 Y29 L68 V72	L9-Y18 WeakPolarHBondContact O-CD2 3.18Å; L9-Y18 PolarHBondContact O-N 3.27Å; L9-Y18 VanDerWaalsContact O-N 3.08Å; L10-Y18 VanDerWaalsContact O-CZ 3.29Å; L10-Y18 PolarHBondContact O-OH 3.27Å; C11-Y18 HydrophobicContact CB-CD1 3.59Å; C11-Y18 HydrophobicContact CB-CE1 3.58Å; C11-Y18 HydrophobicContact CB-CG 4.49Å; S16-Y18 PolarHBondContact O-N 3.43Å; Y18-P21 HydrophobicContact CD1-CB 4.28Å; Y18-P21 HydrophobicContact CG-CB 4.14Å; Y18-Y29 VanDerWaalsContact CE1-C 3.49Å; Y18-Y29 WeakPolarHBondContact CE1-O 2.97Å; Y18-Y29 PolarHBondContact OH-O 2.96Å; Y18-L68 HydrophobicContact CD2-CD2 3.87Å; Y18-L68 HydrophobicContact CD2-CG 4.31Å; Y18-L68 HydrophobicContact CE2-CD2 3.97Å; Y18-L68 HydrophobicContact CG-CD2 4.41Å; Y18-V72 WeakPolarHBondContact O-CG1 3.5Å
19	Q	84.7	Confident	85.8	Confident	148 Å²	148	54.8 Å²	54.8	69%	0.692	30%	0.303	S	S	*	.	S	Bend	trans	-114.4	118	169.1	-69.3	-170.3	-6.3	0	0	109.2	I17 C31	I17-Q19 PolarHBondContact O-N 2.71Å; Q19-C31 PolarHBondContact N-SG 3.46Å; Q19-C31 VanDerWaalsContact O-CA 3.31Å; Q19-C31 WeakPolarHBondContact O-CA 3.21Å; Q19-C31 VanDerWaalsContact O-CB 3.24Å; Q19-C31 WeakPolarHBondContact O-CB 3.27Å
20	D	85.2	Confident	86.1	Confident	77 Å²	77	54.2 Å²	54.2	41%	0.412	30%	0.3	S	S	.	.	S	Bend	trans	49.2	65.6	-171	-171.2	32.2	0	0	0	111.9	V22 R32	D20-V22 PolarHBondContact O-N 3.17Å; D20-R32 HydrophobicContact CB-CB 4.26Å; D20-R32 PolarHBondContact O-N 2.91Å; D20-R32 VanDerWaalsContact OD2-CB 3.3Å; D20-R32 WeakPolarHBondContact OD2-CB 3.45Å; D20-R32 WeakPolarHBondContact OD2-CD 3.31Å; D20-R32 IonicContact OD2-NE 3.81Å; D20-R32 PolarHBondContact OD2-NE 2.89Å
21	P	89.9	Confident	86.5	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	126.1	-178.3	22.7	-32	0	0	0	111.8	Y18 F30 S65 L68 S69	Y18-P21 HydrophobicContact CD1-CB 4.28Å; Y18-P21 HydrophobicContact CG-CB 4.14Å; P21-F30 WeakPolarHBondContact CA-O 3.27Å; P21-S65 PolarHBondContact O-N 2.92Å; P21-L68 HydrophobicContact CB-CB 4.34Å; P21-L68 HydrophobicContact CB-CD2 3.76Å; P21-L68 HydrophobicContact CB-CG 4.1Å; P21-L68 HydrophobicContact CG-CB 4.01Å; P21-L68 HydrophobicContact CG-CD2 4.25Å; P21-L68 HydrophobicContact CG-CG 4.03Å; P21-S69 VanDerWaalsContact CD-OG 3.31Å; P21-S69 WeakPolarHBondContact CD-OG 3.22Å; P21-S69 WeakPolarHBondContact CG-OG 3.33Å
22	V	88.6	Confident	86.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150.8	176.7	-65.6	0	0	0	0	110.7	D20 Y29 F30 R32 I35 L62 S63	D20-V22 PolarHBondContact O-N 3.17Å; V22-Y29 WeakPolarHBondContact O-CA 3.36Å; V22-F30 WeakPolarHBondContact CG2-O 3.36Å; V22-F30 PolarHBondContact N-O 2.64Å; V22-F30 PolarHBondContact O-N 3.25Å; V22-R32 HydrophobicContact CG1-CB 3.89Å; V22-R32 HydrophobicContact CG1-CG 4.3Å; V22-R32 HydrophobicContact CG2-CB 4.13Å; V22-I35 HydrophobicContact CG2-CG2 3.73Å; V22-L62 HydrophobicContact CB-CB 4.25Å; V22-L62 HydrophobicContact CB-CD2 4.38Å; V22-L62 HydrophobicContact CG1-CB 4.34Å; V22-L62 HydrophobicContact CG2-CB 4.43Å; V22-L62 HydrophobicContact CG2-CD1 4.35Å; V22-L62 HydrophobicContact CG2-CD2 3.87Å; V22-L62 HydrophobicContact CG2-CG 4.45Å; V22-S63 WeakPolarHBondContact CA-O 3.26Å
23	S	89.4	Confident	86.8	Confident	24 Å²	24	61.3 Å²	61.3	17%	0.168	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	161.4	169.3	59.9	0	0	0	0	109.7	S63	S23-S63 PolarHBondContact N-O 2.68Å; S23-S63 PolarHBondContact O-N 3.14Å
24	F	82.9	Confident	87	Confident	3 Å²	3	59.3 Å²	59.3	1%	0.013	31%	0.312	C	S	.	.			trans	-152.9	109.9	179.3	52.2	-85	0	0	0	109.6	C26 F30 I35 W39 C50 F57 P60 L62	F24-C26 PolarHBondContact O-N 3.44Å; F24-F30 AromaticContact CE1-CD2 3.75Å; F24-F30 HydrophobicContact CE1-CD2 3.75Å; F24-F30 AromaticContact CE1-CE2 3.99Å; F24-F30 HydrophobicContact CE1-CE2 3.99Å; F24-F30 HydrophobicContact CZ-CD2 4.26Å; F24-F30 HydrophobicContact CZ-CE2 4.06Å; F24-I35 HydrophobicContact CD1-CG1 4.3Å; F24-I35 HydrophobicContact CE1-CB 4.47Å; F24-I35 HydrophobicContact CE1-CD1 3.67Å; F24-I35 HydrophobicContact CE1-CG1 3.49Å; F24-I35 VanDerWaalsContact CE1-CG1 3.49Å; F24-I35 HydrophobicContact CZ-CD1 3.61Å; F24-I35 HydrophobicContact CZ-CG1 3.89Å; F24-W39 HydrophobicContact CB-CH2 4.22Å; F24-W39 AromaticContact CD1-CH2 3.69Å; F24-W39 HydrophobicContact CD1-CH2 3.69Å; F24-W39 AromaticContact CD1-CZ2 3.96Å; F24-W39 HydrophobicContact CD1-CZ2 3.96Å; F24-W39 AromaticContact CD2-CH2 3.64Å; F24-W39 HydrophobicContact CD2-CH2 3.64Å; F24-W39 AromaticContact CD2-CZ2 3.48Å; F24-W39 HydrophobicContact CD2-CZ2 3.48Å; F24-W39 VanDerWaalsContact CD2-CZ2 3.48Å; F24-W39 AromaticContact CE1-CH2 3.97Å; F24-W39 HydrophobicContact CE1-CH2 3.97Å; F24-W39 AromaticContact CE1-CZ2 3.8Å; F24-W39 HydrophobicContact CE1-CZ2 3.8Å; F24-W39 AromaticContact CE2-CH2 3.96Å; F24-W39 HydrophobicContact CE2-CH2 3.96Å; F24-W39 AromaticContact CE2-CZ2 3.33Å; F24-W39 HydrophobicContact CE2-CZ2 3.33Å; F24-W39 AromaticContact CG-CH2 3.54Å; F24-W39 HydrophobicContact CG-CH2 3.54Å; F24-W39 AromaticContact CG-CZ2 3.83Å; F24-W39 HydrophobicContact CG-CZ2 3.83Å; F24-W39 HydrophobicContact CZ-CH2 4.09Å; F24-W39 AromaticContact CZ-CZ2 3.47Å; F24-W39 HydrophobicContact CZ-CZ2 3.47Å; F24-W39 VanDerWaalsContact CZ-CZ2 3.47Å; F24-C50 HydrophobicContact CE2-CB 3.86Å; F24-C50 HydrophobicContact CZ-CB 4Å; F24-F57 HydrophobicContact CD2-CD2 4.05Å; F24-F57 AromaticContact CD2-CE2 3.93Å; F24-F57 HydrophobicContact CD2-CE2 3.93Å; F24-F57 HydrophobicContact CD2-CZ 4.48Å; F24-F57 HydrophobicContact CE2-CD2 4.08Å; F24-F57 AromaticContact CE2-CE2 3.83Å; F24-F57 HydrophobicContact CE2-CE2 3.83Å; F24-P60 HydrophobicContact CB-CB 3.95Å; F24-P60 HydrophobicContact CD2-CB 4.03Å; F24-P60 HydrophobicContact CD2-CG 4.46Å; F24-P60 HydrophobicContact CG-CB 4.3Å; F24-L62 HydrophobicContact CB-CD2 4.16Å; F24-L62 HydrophobicContact CD1-CD2 3.58Å; F24-L62 HydrophobicContact CE1-CD2 4.4Å; F24-L62 HydrophobicContact CG-CD2 4.12Å
25	G	77.1	Confident	86.9	Confident	68 Å²	68	56.8 Å²	56.8	70%	0.701	30%	0.295	S	S	*	.	S	Bend	trans	57.8	-1.4	171.1	0	0	0	0	0	117.9
26	C	85.7	Confident	87	Confident	18 Å²	18	53.4 Å²	53.4	12%	0.122	28%	0.28	C	S	.	.	S	Bend	trans	-141.9	173.1	173.8	71	0	0	0	0	110	F24 H28 C50 F57	F24-C26 PolarHBondContact O-N 3.44Å; C26-H28 VanDerWaalsContact C-N 3.35Å; C26-H28 PolarHBondContact O-N 3.26Å; C26-C50 VanDerWaalsContact SG-SG 3.68Å; C26-F57 HydrophobicContact CB-CZ 4.22Å
27	E	84.7	Confident	87.1	Confident	175 Å²	175	55.4 Å²	55.4	82%	0.818	28%	0.282	S	S	*	.	S	Bend	trans	-88.8	6.2	-172.5	-60.7	-175.6	166.3	0	0	114.4	Y29	E27-Y29 WeakPolarHBondContact O-CE2 3.23Å
28	H	88.4	Confident	87.2	Confident	60 Å²	60	56 Å²	56	28%	0.278	28%	0.284	S	S	.	.			trans	-92.4	143.2	179.8	-56.1	101.3	0	0	0	111.4	C26 F30 E52	C26-H28 VanDerWaalsContact C-N 3.35Å; C26-H28 PolarHBondContact O-N 3.26Å; H28-F30 HydrophobicContact CB-CE2 3.68Å; H28-F30 HydrophobicContact CB-CZ 3.85Å; H28-E52 HydrophobicContact CB-CB 4.34Å; H28-E52 IonicContact CD2-OE2 3.79Å; H28-E52 PolarHBondContact CD2-OE2 3.4Å; H28-E52 IonicContact CG-OE2 3.4Å; H28-E52 IonicContact NE2-OE2 2.68Å
29	Y	89.9	Confident	87.2	Confident	82 Å²	82	55.8 Å²	55.8	32%	0.322	28%	0.283	S	S	.	.			trans	-113.1	143	-178	-62.9	-84.3	0	0	0	111	Y18 V22 E27 L68	Y18-Y29 VanDerWaalsContact CE1-C 3.49Å; Y18-Y29 WeakPolarHBondContact CE1-O 2.97Å; Y18-Y29 PolarHBondContact OH-O 2.96Å; V22-Y29 WeakPolarHBondContact O-CA 3.36Å; E27-Y29 WeakPolarHBondContact O-CE2 3.23Å; Y29-L68 HydrophobicContact CD1-CD2 4Å; Y29-L68 HydrophobicContact CD2-CD2 4.07Å; Y29-L68 HydrophobicContact CG-CD2 3.66Å
30	F	91.3	Very high	86.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	156	178.4	-54.2	-86.1	0	0	0	109.7	S12 I13 P21 V22 F24 H28 R32 I35 P51 E52	S12-F30 WeakPolarHBondContact OG-CE1 3.42Å; I13-F30 HydrophobicContact CD1-CB 4.28Å; I13-F30 HydrophobicContact CD1-CD1 3.54Å; I13-F30 HydrophobicContact CD1-CE1 4.2Å; I13-F30 HydrophobicContact CD1-CG 4.13Å; I13-F30 HydrophobicContact CG1-CD1 3.78Å; I13-F30 HydrophobicContact CG1-CE1 4.2Å; P21-F30 WeakPolarHBondContact CA-O 3.27Å; V22-F30 WeakPolarHBondContact CG2-O 3.36Å; V22-F30 PolarHBondContact N-O 2.64Å; V22-F30 PolarHBondContact O-N 3.25Å; F24-F30 AromaticContact CE1-CD2 3.75Å; F24-F30 HydrophobicContact CE1-CD2 3.75Å; F24-F30 AromaticContact CE1-CE2 3.99Å; F24-F30 HydrophobicContact CE1-CE2 3.99Å; F24-F30 HydrophobicContact CZ-CD2 4.26Å; F24-F30 HydrophobicContact CZ-CE2 4.06Å; H28-F30 HydrophobicContact CB-CE2 3.68Å; H28-F30 HydrophobicContact CB-CZ 3.85Å; F30-R32 PolarHBondContact O-N 3.13Å; F30-I35 HydrophobicContact CB-CB 4.01Å; F30-I35 HydrophobicContact CB-CG2 4.45Å; F30-I35 HydrophobicContact CD2-CD1 4.23Å; F30-I35 HydrophobicContact CG-CB 4.48Å; F30-I35 HydrophobicContact CG-CD1 4.37Å; F30-P51 HydrophobicContact CE1-CB 4.13Å; F30-P51 HydrophobicContact CE1-CG 4.17Å; F30-P51 HydrophobicContact CZ-CB 4.38Å; F30-P51 HydrophobicContact CZ-CG 4.35Å; F30-E52 HydrophobicContact CE1-CG 3.91Å; F30-E52 WeakPolarHBondContact CE1-OE1 3.47Å; F30-E52 HydrophobicContact CZ-CB 4.16Å; F30-E52 HydrophobicContact CZ-CG 3.79Å
31	C	91.7	Very high	86.2	Confident	6 Å²	6	59.3 Å²	59.3	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	136.4	166.6	-55.8	0	0	0	0	109.4	C11 Q19 K33 C34 I35	C11-C31 WeakPolarHBondContact CB-SG 3.37Å; C11-C31 PolarHBondContact SG-N 3.39Å; C11-C31 VanDerWaalsContact SG-SG 3.69Å; Q19-C31 PolarHBondContact N-SG 3.46Å; Q19-C31 VanDerWaalsContact O-CA 3.31Å; Q19-C31 WeakPolarHBondContact O-CA 3.21Å; Q19-C31 VanDerWaalsContact O-CB 3.24Å; Q19-C31 WeakPolarHBondContact O-CB 3.27Å; C31-K33 VanDerWaalsContact C-N 3.25Å; C31-K33 PolarHBondContact O-N 3.43Å; C31-C34 HydrophobicContact CB-CB 4.05Å; C31-C34 WeakPolarHBondContact O-CB 3.28Å; C31-C34 PolarHBondContact O-N 3.04Å; C31-I35 PolarHBondContact O-N 2.99Å; C31-I35 VanDerWaalsContact O-N 3.14Å
32	R	89.7	Confident	85.2	Confident	85 Å²	85	61.9 Å²	61.9	32%	0.321	31%	0.31	S	S	.	.	H	α-helix	trans	-50.5	-45	-179.7	-179.9	176	-76.7	-95	-8.7	112.8	D20 V22 F30 I35 T36 L62	D20-R32 HydrophobicContact CB-CB 4.26Å; D20-R32 PolarHBondContact O-N 2.91Å; D20-R32 VanDerWaalsContact OD2-CB 3.3Å; D20-R32 WeakPolarHBondContact OD2-CB 3.45Å; D20-R32 WeakPolarHBondContact OD2-CD 3.31Å; D20-R32 IonicContact OD2-NE 3.81Å; D20-R32 PolarHBondContact OD2-NE 2.89Å; V22-R32 HydrophobicContact CG1-CB 3.89Å; V22-R32 HydrophobicContact CG1-CG 4.3Å; V22-R32 HydrophobicContact CG2-CB 4.13Å; F30-R32 PolarHBondContact O-N 3.13Å; R32-I35 WeakPolarHBondContact O-CG2 3.42Å; R32-T36 VanDerWaalsContact O-CB 3.31Å; R32-T36 WeakPolarHBondContact O-CB 3.37Å; R32-T36 PolarHBondContact O-N 3.17Å; R32-T36 VanDerWaalsContact O-N 3.1Å; R32-T36 PolarHBondContact O-OG1 3.01Å; R32-L62 HydrophobicContact CG-CD1 4.23Å; R32-L62 PolarHBondContact NH2-O 2.89Å; R32-L62 VanDerWaalsContact NH2-O 3.16Å
33	K	89.9	Confident	83.7	Confident	155 Å²	155	69.9 Å²	69.9	67%	0.674	35%	0.347	S	S	*	.	H	α-helix	trans	-61.8	-46.7	177.6	-69.2	-175.5	178.8	178.4	0	112.1	C31 I35 T36 E37	C31-K33 VanDerWaalsContact C-N 3.25Å; C31-K33 PolarHBondContact O-N 3.43Å; K33-I35 PolarHBondContact O-N 3.46Å; K33-T36 PolarHBondContact O-N 3.48Å; K33-E37 WeakPolarHBondContact O-CB 3.5Å; K33-E37 WeakPolarHBondContact O-CG 3.37Å; K33-E37 PolarHBondContact O-N 3.25Å
34	C	91.3	Very high	82.2	Confident	23 Å²	23	74.5 Å²	74.5	16%	0.155	38%	0.377	C	S	.	.	H	α-helix	trans	-61.3	-45.8	-176	-65.2	0	0	0	0	112.3	I13 C31 H38	I13-C34 HydrophobicContact CB-CB 3.9Å; I13-C34 HydrophobicContact CD1-CB 3.78Å; I13-C34 HydrophobicContact CG1-CB 4.45Å; I13-C34 HydrophobicContact CG2-CB 3.87Å; C31-C34 HydrophobicContact CB-CB 4.05Å; C31-C34 WeakPolarHBondContact O-CB 3.28Å; C31-C34 PolarHBondContact O-N 3.04Å; C34-H38 WeakPolarHBondContact O-CB 3.46Å; C34-H38 PolarHBondContact O-N 3.32Å
35	I	88.3	Confident	80.8	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-73.1	-36.3	179.3	-167.5	72.1	0	0	0	112.2	I13 V22 F24 F30 C31 R32 K33 E37 H38 W39 P51 L62	I13-I35 HydrophobicContact CD1-CD1 4.43Å; V22-I35 HydrophobicContact CG2-CG2 3.73Å; F24-I35 HydrophobicContact CD1-CG1 4.3Å; F24-I35 HydrophobicContact CE1-CB 4.47Å; F24-I35 HydrophobicContact CE1-CD1 3.67Å; F24-I35 HydrophobicContact CE1-CG1 3.49Å; F24-I35 VanDerWaalsContact CE1-CG1 3.49Å; F24-I35 HydrophobicContact CZ-CD1 3.61Å; F24-I35 HydrophobicContact CZ-CG1 3.89Å; F30-I35 HydrophobicContact CB-CB 4.01Å; F30-I35 HydrophobicContact CB-CG2 4.45Å; F30-I35 HydrophobicContact CD2-CD1 4.23Å; F30-I35 HydrophobicContact CG-CB 4.48Å; F30-I35 HydrophobicContact CG-CD1 4.37Å; C31-I35 PolarHBondContact O-N 2.99Å; C31-I35 VanDerWaalsContact O-N 3.14Å; R32-I35 WeakPolarHBondContact O-CG2 3.42Å; K33-I35 PolarHBondContact O-N 3.46Å; I35-E37 PolarHBondContact O-N 2.95Å; I35-H38 WeakPolarHBondContact O-CB 3.46Å; I35-H38 PolarHBondContact O-N 3.24Å; I35-W39 HydrophobicContact CD1-CZ2 4.14Å; I35-W39 HydrophobicContact CG1-CD2 3.97Å; I35-W39 HydrophobicContact CG1-CE3 4.25Å; I35-W39 HydrophobicContact CG1-CH2 4.04Å; I35-W39 HydrophobicContact CG1-CZ2 3.75Å; I35-W39 HydrophobicContact CG1-CZ3 4.28Å; I35-W39 PolarHBondContact O-N 3.19Å; I35-P51 HydrophobicContact CD1-CG 3.88Å; I35-L62 HydrophobicContact CG2-CD1 3.97Å; I35-L62 HydrophobicContact CG2-CD2 3.77Å
36	T	85.9	Confident	80.1	Confident	58 Å²	58	82.4 Å²	82.4	36%	0.356	41%	0.406	S	S	.	.	H	α-helix	trans	-64.9	-41.3	177.7	-53	0	0	0	0	111.2	R32 K33 S40	R32-T36 VanDerWaalsContact O-CB 3.31Å; R32-T36 WeakPolarHBondContact O-CB 3.37Å; R32-T36 PolarHBondContact O-N 3.17Å; R32-T36 VanDerWaalsContact O-N 3.1Å; R32-T36 PolarHBondContact O-OG1 3.01Å; K33-T36 PolarHBondContact O-N 3.48Å; T36-S40 WeakPolarHBondContact O-CB 3.45Å; T36-S40 PolarHBondContact O-N 3.41Å; T36-S40 PolarHBondContact O-OG 2.9Å
37	E	86.3	Confident	79.3	Confident	108 Å²	108	85.5 Å²	85.5	51%	0.505	43%	0.425	S	S	.	.	H	α-helix	trans	-66.5	-40.6	173.7	-78	-178.2	-163.1	0	0	112.2	K33 I35 W39 S40 R41	K33-E37 WeakPolarHBondContact O-CB 3.5Å; K33-E37 WeakPolarHBondContact O-CG 3.37Å; K33-E37 PolarHBondContact O-N 3.25Å; I35-E37 PolarHBondContact O-N 2.95Å; E37-W39 VanDerWaalsContact C-N 3.31Å; E37-W39 PolarHBondContact O-N 3.3Å; E37-S40 PolarHBondContact O-N 3.42Å; E37-R41 WeakPolarHBondContact O-CG 3.47Å; E37-R41 PolarHBondContact O-N 3.37Å
38	H	83.9	Confident	79.1	Confident	61 Å²	61	81 Å²	81	28%	0.282	40%	0.4	S	S	.	.	H	α-helix	trans	-57.4	-45.5	177.1	-177	76	0	0	0	111.4	C34 I35 R41 Q42 D49	C34-H38 WeakPolarHBondContact O-CB 3.46Å; C34-H38 PolarHBondContact O-N 3.32Å; I35-H38 WeakPolarHBondContact O-CB 3.46Å; I35-H38 PolarHBondContact O-N 3.24Å; H38-R41 PolarHBondContact O-N 3.4Å; H38-Q42 PolarHBondContact NE2-NE2 3.06Å; H38-D49 IonicContact NE2-OD1 2.99Å
39	W	85.2	Confident	78.9	Confident	20 Å²	20	80.1 Å²	80.1	8%	0.076	40%	0.397	C	S	.	.	H	α-helix	trans	-73.3	-31.5	176.9	-65.7	-25.6	0	0	0	114.2	F24 I35 E37 R41 Q42 R48 D49 P60 L62	F24-W39 HydrophobicContact CB-CH2 4.22Å; F24-W39 AromaticContact CD1-CH2 3.69Å; F24-W39 HydrophobicContact CD1-CH2 3.69Å; F24-W39 AromaticContact CD1-CZ2 3.96Å; F24-W39 HydrophobicContact CD1-CZ2 3.96Å; F24-W39 AromaticContact CD2-CH2 3.64Å; F24-W39 HydrophobicContact CD2-CH2 3.64Å; F24-W39 AromaticContact CD2-CZ2 3.48Å; F24-W39 HydrophobicContact CD2-CZ2 3.48Å; F24-W39 VanDerWaalsContact CD2-CZ2 3.48Å; F24-W39 AromaticContact CE1-CH2 3.97Å; F24-W39 HydrophobicContact CE1-CH2 3.97Å; F24-W39 AromaticContact CE1-CZ2 3.8Å; F24-W39 HydrophobicContact CE1-CZ2 3.8Å; F24-W39 AromaticContact CE2-CH2 3.96Å; F24-W39 HydrophobicContact CE2-CH2 3.96Å; F24-W39 AromaticContact CE2-CZ2 3.33Å; F24-W39 HydrophobicContact CE2-CZ2 3.33Å; F24-W39 AromaticContact CG-CH2 3.54Å; F24-W39 HydrophobicContact CG-CH2 3.54Å; F24-W39 AromaticContact CG-CZ2 3.83Å; F24-W39 HydrophobicContact CG-CZ2 3.83Å; F24-W39 HydrophobicContact CZ-CH2 4.09Å; F24-W39 AromaticContact CZ-CZ2 3.47Å; F24-W39 HydrophobicContact CZ-CZ2 3.47Å; F24-W39 VanDerWaalsContact CZ-CZ2 3.47Å; I35-W39 HydrophobicContact CD1-CZ2 4.14Å; I35-W39 HydrophobicContact CG1-CD2 3.97Å; I35-W39 HydrophobicContact CG1-CE3 4.25Å; I35-W39 HydrophobicContact CG1-CH2 4.04Å; I35-W39 HydrophobicContact CG1-CZ2 3.75Å; I35-W39 HydrophobicContact CG1-CZ3 4.28Å; I35-W39 PolarHBondContact O-N 3.19Å; E37-W39 VanDerWaalsContact C-N 3.31Å; E37-W39 PolarHBondContact O-N 3.3Å; W39-R41 PolarHBondContact O-N 3.47Å; W39-Q42 WeakPolarHBondContact O-CB 3.32Å; W39-Q42 PolarHBondContact O-N 2.9Å; W39-Q42 VanDerWaalsContact O-N 3.08Å; W39-R48 HydrophobicContact CB-CG 4.38Å; W39-R48 HydrophobicContact CD2-CB 4.1Å; W39-R48 HydrophobicContact CD2-CG 4.26Å; W39-R48 HydrophobicContact CG-CB 4.07Å; W39-R48 HydrophobicContact CG-CG 4.09Å; W39-R48 HydrophobicContact CZ2-CB 4.31Å; W39-D49 PolarHBondContact NE1-O 3.28Å; W39-P60 HydrophobicContact CH2-CB 3.87Å; W39-P60 HydrophobicContact CH2-CG 3.36Å; W39-P60 HydrophobicContact CZ2-CB 4.39Å; W39-P60 HydrophobicContact CZ2-CG 3.66Å; W39-P60 HydrophobicContact CZ3-CG 3.91Å; W39-L62 HydrophobicContact CH2-CD2 3.57Å; W39-L62 HydrophobicContact CH2-CG 4.38Å; W39-L62 HydrophobicContact CZ3-CD1 4.26Å; W39-L62 HydrophobicContact CZ3-CD2 3.5Å; W39-L62 HydrophobicContact CZ3-CG 3.87Å
40	S	76.9	Confident	78.8	Confident	92 Å²	92	76.2 Å²	76.2	64%	0.643	38%	0.382	S	S	*	.	H	α-helix	trans	-67.7	-20.3	177.3	-58.8	0	0	0	0	112.8	T36 E37 Q42	T36-S40 WeakPolarHBondContact O-CB 3.45Å; T36-S40 PolarHBondContact O-N 3.41Å; T36-S40 PolarHBondContact O-OG 2.9Å; E37-S40 PolarHBondContact O-N 3.42Å; S40-Q42 VanDerWaalsContact C-N 3.29Å
41	R	72.3	Confident	78.5	Confident	207 Å²	207	78.1 Å²	78.1	78%	0.781	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.7	174.1	-67	177.4	-170.5	-165.6	5.5	113.3	E37 H38 W39	E37-R41 WeakPolarHBondContact O-CG 3.47Å; E37-R41 PolarHBondContact O-N 3.37Å; H38-R41 PolarHBondContact O-N 3.4Å; W39-R41 PolarHBondContact O-N 3.47Å
42	Q	68.6	Low	78.3	Confident	55 Å²	55	81.7 Å²	81.7	26%	0.257	41%	0.411	S	S	.	.	S	Bend	trans	-96.6	152.7	175.8	-59.1	-179.6	2	0	0	110.1	H38 W39 S40 D49	H38-Q42 PolarHBondContact NE2-NE2 3.06Å; W39-Q42 WeakPolarHBondContact O-CB 3.32Å; W39-Q42 PolarHBondContact O-N 2.9Å; W39-Q42 VanDerWaalsContact O-N 3.08Å; S40-Q42 VanDerWaalsContact C-N 3.29Å; Q42-D49 PolarHBondContact NE2-OD1 3.29Å
43	E	58.7	Low	78.1	Confident	168 Å²	168	80.1 Å²	80.1	79%	0.785	41%	0.412	S	S	*	.			trans	-61.5	145.9	-173.1	-70.5	-137.8	166.3	0	0	113.1	H45 G46	E43-H45 PolarHBondContact O-N 3.29Å; E43-G46 PolarHBondContact O-N 3.38Å
44	P	56.5	Low	77.8	Confident	121 Å²	121	82.2 Å²	82.2	79%	0.786	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-12.6	-165.7	-23	32.9	0	0	0	116.5
45	H	54.7	Low	77.5	Confident	195 Å²	195	88.1 Å²	88.1	90%	0.903	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	19.1	-178.3	-63.9	0.8	0	0	0	112.5	E43	E43-H45 PolarHBondContact O-N 3.29Å
46	G	61.2	Low	77.2	Confident	42 Å²	42	92.4 Å²	92.4	43%	0.433	46%	0.461	S	S	.	.	S	Bend	trans	-99.6	154.4	-179.6	0	0	0	0	0	114.7	E43	E43-G46 PolarHBondContact O-N 3.38Å
47	V	69.6	Low	76.9	Confident	83 Å²	83	91.2 Å²	91.2	50%	0.503	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-68.9	128.8	177.2	-160.8	0	0	0	0	109.8	F57	V47-F57 WeakPolarHBondContact CG1-O 3.44Å
48	R	80.2	Confident	76.3	Confident	81 Å²	81	90.5 Å²	90.5	31%	0.306	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	131.9	-177.6	-59.9	-169.8	-170.5	134.2	9.4	111.2	W39 T56 F57 D59 P60	W39-R48 HydrophobicContact CB-CG 4.38Å; W39-R48 HydrophobicContact CD2-CB 4.1Å; W39-R48 HydrophobicContact CD2-CG 4.26Å; W39-R48 HydrophobicContact CG-CB 4.07Å; W39-R48 HydrophobicContact CG-CG 4.09Å; W39-R48 HydrophobicContact CZ2-CB 4.31Å; R48-T56 CarbonylContact O-C 3.5Å; R48-T56 WeakPolarHBondContact O-CA 3.07Å; R48-F57 PolarHBondContact N-O 2.97Å; R48-F57 PolarHBondContact O-N 3.42Å; R48-D59 IonicContact CZ-OD1 3.16Å; R48-D59 VanDerWaalsContact CZ-OD1 3.28Å; R48-D59 IonicContact NH1-OD1 3.77Å; R48-D59 PolarHBondContact NH1-OD1 3.12Å; R48-D59 IonicContact NH2-OD1 2.78Å; R48-D59 PolarHBondContact NH2-OD1 3.07Å; R48-D59 VanDerWaalsContact NH2-OD1 3.16Å; R48-P60 HydrophobicContact CB-CG 4Å; R48-P60 HydrophobicContact CG-CG 4.47Å
49	D	85.1	Confident	75.8	Confident	40 Å²	40	93.4 Å²	93.4	21%	0.214	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	158	-180	73.2	-43.8	0	0	0	114.5	H38 W39 Q42 R55 T56	H38-D49 IonicContact NE2-OD1 2.99Å; W39-D49 PolarHBondContact NE1-O 3.28Å; Q42-D49 PolarHBondContact NE2-OD1 3.29Å; D49-R55 VanDerWaalsContact CA-O 3.3Å; D49-R55 WeakPolarHBondContact CA-O 3.35Å; D49-T56 HydrophobicContact CB-CG2 4.03Å
50	C	87.4	Confident	75.5	Confident	0 Å²	0	93.1 Å²	93.1	0%	0	48%	0.482	C	S	.	.			trans	-85.4	125.7	171.9	175.5	0	0	0	0	110.5	F24 C26 E52 C53 R54 R55 F57	F24-C50 HydrophobicContact CE2-CB 3.86Å; F24-C50 HydrophobicContact CZ-CB 4Å; C26-C50 VanDerWaalsContact SG-SG 3.68Å; C50-E52 PolarHBondContact O-N 3.07Å; C50-E52 VanDerWaalsContact O-N 3.14Å; C50-C53 VanDerWaalsContact CB-SG 3.52Å; C50-C53 PolarHBondContact SG-SG 3.39Å; C50-R54 WeakPolarHBondContact O-CA 3.26Å; C50-R54 PolarHBondContact O-N 3.1Å; C50-R55 PolarHBondContact N-O 3.48Å; C50-F57 HydrophobicContact CB-CE2 4.28Å
51	P	86	Confident	75.8	Confident	40 Å²	40	95.9 Å²	95.9	26%	0.26	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.6	-178.5	-28.6	36.3	0	0	0	115.3	I13 F30 I35	I13-P51 HydrophobicContact CD1-CG 4.07Å; I13-P51 HydrophobicContact CG1-CG 4.4Å; F30-P51 HydrophobicContact CE1-CB 4.13Å; F30-P51 HydrophobicContact CE1-CG 4.17Å; F30-P51 HydrophobicContact CZ-CB 4.38Å; F30-P51 HydrophobicContact CZ-CG 4.35Å; I35-P51 HydrophobicContact CD1-CG 3.88Å
52	E	87	Confident	76.4	Confident	82 Å²	82	87.3 Å²	87.3	38%	0.383	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-50.7	-177.7	-73.6	-176.5	-144	0	0	112.6	S12 H28 F30 C50	S12-E52 WeakPolarHBondContact CB-OE1 3.36Å; S12-E52 PolarHBondContact OG-OE1 3.49Å; H28-E52 HydrophobicContact CB-CB 4.34Å; H28-E52 IonicContact CD2-OE2 3.79Å; H28-E52 PolarHBondContact CD2-OE2 3.4Å; H28-E52 IonicContact CG-OE2 3.4Å; H28-E52 IonicContact NE2-OE2 2.68Å; F30-E52 HydrophobicContact CE1-CG 3.91Å; F30-E52 WeakPolarHBondContact CE1-OE1 3.47Å; F30-E52 HydrophobicContact CZ-CB 4.16Å; F30-E52 HydrophobicContact CZ-CG 3.79Å; C50-E52 PolarHBondContact O-N 3.07Å; C50-E52 VanDerWaalsContact O-N 3.14Å
53	C	86.1	Confident	77.2	Confident	51 Å²	51	87.4 Å²	87.4	35%	0.345	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-5.4	-175.7	67.6	0	0	0	0	115.2	C50 R55	C50-C53 VanDerWaalsContact CB-SG 3.52Å; C50-C53 PolarHBondContact SG-SG 3.39Å; C53-R55 PolarHBondContact O-N 2.9Å
54	R	83	Confident	78.6	Confident	200 Å²	200	83.1 Å²	83.1	76%	0.755	45%	0.451	S	S	*	.			trans	56.5	15.3	-179.6	-54.2	-175.4	-176.3	-176.2	0.3	115.3	C50	C50-R54 WeakPolarHBondContact O-CA 3.26Å; C50-R54 PolarHBondContact O-N 3.1Å
55	R	84.8	Confident	79.9	Confident	146 Å²	146	78.2 Å²	78.2	55%	0.551	42%	0.42	S	S	*	.			trans	-67.7	134.1	173.3	-172.2	177.6	-68.9	165.6	-0.5	109.3	D49 C50 C53 F57	D49-R55 VanDerWaalsContact CA-O 3.3Å; D49-R55 WeakPolarHBondContact CA-O 3.35Å; C50-R55 PolarHBondContact N-O 3.48Å; C53-R55 PolarHBondContact O-N 2.9Å; R55-F57 HydrophobicContact CB-CE2 4.03Å; R55-F57 HydrophobicContact CB-CZ 4.06Å; R55-F57 HydrophobicContact CG-CE1 4.27Å; R55-F57 HydrophobicContact CG-CE2 4.11Å; R55-F57 HydrophobicContact CG-CZ 3.79Å; R55-F57 WeakPolarHBondContact O-CD2 3.33Å; R55-F57 WeakPolarHBondContact O-CE2 3.45Å
56	T	81.4	Confident	81.3	Confident	91 Å²	91	75.2 Å²	75.2	56%	0.558	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	141.5	-176.3	57.4	0	0	0	0	111.5	R48 D49	R48-T56 CarbonylContact O-C 3.5Å; R48-T56 WeakPolarHBondContact O-CA 3.07Å; D49-T56 HydrophobicContact CB-CG2 4.03Å
57	F	80.2	Confident	82.3	Confident	32 Å²	32	81.5 Å²	81.5	14%	0.14	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.4	-174.9	-57	-86.5	0	0	0	110.7	F24 C26 V47 R48 C50 R55 P60	F24-F57 HydrophobicContact CD2-CD2 4.05Å; F24-F57 AromaticContact CD2-CE2 3.93Å; F24-F57 HydrophobicContact CD2-CE2 3.93Å; F24-F57 HydrophobicContact CD2-CZ 4.48Å; F24-F57 HydrophobicContact CE2-CD2 4.08Å; F24-F57 AromaticContact CE2-CE2 3.83Å; F24-F57 HydrophobicContact CE2-CE2 3.83Å; C26-F57 HydrophobicContact CB-CZ 4.22Å; V47-F57 WeakPolarHBondContact CG1-O 3.44Å; R48-F57 PolarHBondContact N-O 2.97Å; R48-F57 PolarHBondContact O-N 3.42Å; C50-F57 HydrophobicContact CB-CE2 4.28Å; R55-F57 HydrophobicContact CB-CE2 4.03Å; R55-F57 HydrophobicContact CB-CZ 4.06Å; R55-F57 HydrophobicContact CG-CE1 4.27Å; R55-F57 HydrophobicContact CG-CE2 4.11Å; R55-F57 HydrophobicContact CG-CZ 3.79Å; R55-F57 WeakPolarHBondContact O-CD2 3.33Å; R55-F57 WeakPolarHBondContact O-CE2 3.45Å; F57-P60 HydrophobicContact CB-CB 3.83Å; F57-P60 HydrophobicContact CB-CG 3.72Å; F57-P60 HydrophobicContact CG-CB 4.22Å; F57-P60 HydrophobicContact CG-CG 4.42Å
58	A	73.3	Confident	82.9	Confident	93 Å²	93	78.7 Å²	78.7	77%	0.769	41%	0.407	S	S	*	.	S	Bend	trans	-68.1	-46.4	-176.3	0	0	0	0	0	112.8
59	D	74.2	Confident	82.9	Confident	123 Å²	123	76.2 Å²	76.2	66%	0.658	40%	0.403	S	S	*	.	S	Bend	trans	-152.8	81.1	170.6	-166	17	0	0	0	110.9	R48	R48-D59 IonicContact CZ-OD1 3.16Å; R48-D59 VanDerWaalsContact CZ-OD1 3.28Å; R48-D59 IonicContact NH1-OD1 3.77Å; R48-D59 PolarHBondContact NH1-OD1 3.12Å; R48-D59 IonicContact NH2-OD1 2.78Å; R48-D59 PolarHBondContact NH2-OD1 3.07Å; R48-D59 VanDerWaalsContact NH2-OD1 3.16Å
60	P	78.4	Confident	82.7	Confident	14 Å²	14	77.8 Å²	77.8	9%	0.091	41%	0.411	C	S	.	.			trans	-72.2	129.2	-176.8	26.1	-33	0	0	0	112.4	F24 W39 R48 F57	F24-P60 HydrophobicContact CB-CB 3.95Å; F24-P60 HydrophobicContact CD2-CB 4.03Å; F24-P60 HydrophobicContact CD2-CG 4.46Å; F24-P60 HydrophobicContact CG-CB 4.3Å; W39-P60 HydrophobicContact CH2-CB 3.87Å; W39-P60 HydrophobicContact CH2-CG 3.36Å; W39-P60 HydrophobicContact CZ2-CB 4.39Å; W39-P60 HydrophobicContact CZ2-CG 3.66Å; W39-P60 HydrophobicContact CZ3-CG 3.91Å; R48-P60 HydrophobicContact CB-CG 4Å; R48-P60 HydrophobicContact CG-CG 4.47Å; F57-P60 HydrophobicContact CB-CB 3.83Å; F57-P60 HydrophobicContact CB-CG 3.72Å; F57-P60 HydrophobicContact CG-CB 4.22Å; F57-P60 HydrophobicContact CG-CG 4.42Å
61	L	82.3	Confident	82.3	Confident	150 Å²	150	82.1 Å²	82.1	79%	0.785	43%	0.433	S	S	*	.			trans	-84.8	123.8	171.7	-159.9	84.2	0	0	0	110.8	S63	L61-S63 PolarHBondContact O-N 2.85Å
62	L	86.6	Confident	81.9	Confident	26 Å²	26	80.9 Å²	80.9	14%	0.136	43%	0.425	C	S	.	.			trans	-73.3	111.2	178.8	-67.1	178.7	0	0	0	111.6	V22 F24 R32 I35 W39	V22-L62 HydrophobicContact CB-CB 4.25Å; V22-L62 HydrophobicContact CB-CD2 4.38Å; V22-L62 HydrophobicContact CG1-CB 4.34Å; V22-L62 HydrophobicContact CG2-CB 4.43Å; V22-L62 HydrophobicContact CG2-CD1 4.35Å; V22-L62 HydrophobicContact CG2-CD2 3.87Å; V22-L62 HydrophobicContact CG2-CG 4.45Å; F24-L62 HydrophobicContact CB-CD2 4.16Å; F24-L62 HydrophobicContact CD1-CD2 3.58Å; F24-L62 HydrophobicContact CE1-CD2 4.4Å; F24-L62 HydrophobicContact CG-CD2 4.12Å; R32-L62 HydrophobicContact CG-CD1 4.23Å; R32-L62 PolarHBondContact NH2-O 2.89Å; R32-L62 VanDerWaalsContact NH2-O 3.16Å; I35-L62 HydrophobicContact CG2-CD1 3.97Å; I35-L62 HydrophobicContact CG2-CD2 3.77Å; W39-L62 HydrophobicContact CH2-CD2 3.57Å; W39-L62 HydrophobicContact CH2-CG 4.38Å; W39-L62 HydrophobicContact CZ3-CD1 4.26Å; W39-L62 HydrophobicContact CZ3-CD2 3.5Å; W39-L62 HydrophobicContact CZ3-CG 3.87Å
63	S	85.8	Confident	81.4	Confident	58 Å²	58	83.2 Å²	83.2	41%	0.406	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.9	179.3	-61.8	0	0	0	0	110.8	V22 S23 L61	V22-S63 WeakPolarHBondContact CA-O 3.26Å; S23-S63 PolarHBondContact N-O 2.68Å; S23-S63 PolarHBondContact O-N 3.14Å; L61-S63 PolarHBondContact O-N 2.85Å
64	P	87	Confident	80.8	Confident	77 Å²	77	89.7 Å²	89.7	50%	0.5	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	138.6	176.8	-15.3	27.6	0	0	0	112.4
65	S	84.6	Confident	80.2	Confident	18 Å²	18	82.4 Å²	82.4	13%	0.126	43%	0.426	C	S	.	.			trans	-98.5	89.8	173	-174.5	0	0	0	0	110.9	P21 K67 L68 S69	P21-S65 PolarHBondContact O-N 2.92Å; S65-K67 PolarHBondContact O-N 3.2Å; S65-L68 PolarHBondContact O-N 3.46Å; S65-L68 VanDerWaalsContact O-N 3.17Å; S65-L68 WeakPolarHBondContact OG-CB 3.24Å; S65-L68 PolarHBondContact OG-N 3.4Å; S65-S69 PolarHBondContact O-N 3.24Å; S65-S69 PolarHBondContact O-OG 2.99Å; S65-S69 VanDerWaalsContact O-OG 3.11Å
66	L	82.7	Confident	79.3	Confident	132 Å²	132	79 Å²	79	69%	0.691	42%	0.424	S	S	*	.	H	α-helix	trans	-56.8	-35.3	176.9	-75.1	160	0	0	0	112.4	N70	L66-N70 WeakPolarHBondContact O-CB 3.45Å; L66-N70 PolarHBondContact O-N 2.99Å; L66-N70 PolarHBondContact O-ND2 2.99Å; L66-N70 PolarHBondContact O-OD1 3.25Å
67	K	81.9	Confident	78.5	Confident	174 Å²	174	77.9 Å²	77.9	76%	0.757	43%	0.425	S	S	*	.	H	α-helix	trans	-64.4	-47.3	177.1	-73.4	-176.4	-179.7	179.7	0	111.6	S65 N70 I71	S65-K67 PolarHBondContact O-N 3.2Å; K67-N70 PolarHBondContact O-N 3.49Å; K67-I71 WeakPolarHBondContact O-CD1 3.22Å; K67-I71 VanDerWaalsContact O-CG1 3.27Å; K67-I71 WeakPolarHBondContact O-CG1 3.46Å; K67-I71 PolarHBondContact O-N 3.04Å
68	L	82.4	Confident	77.6	Confident	24 Å²	24	83.2 Å²	83.2	13%	0.126	45%	0.448	C	S	.	.	H	α-helix	trans	-69.6	-38.3	179.7	-171.3	56.9	0	0	0	111.1	L9 Y18 P21 Y29 S65 N70 I71 V72	L9-L68 HydrophobicContact CD2-CD1 3.87Å; Y18-L68 HydrophobicContact CD2-CD2 3.87Å; Y18-L68 HydrophobicContact CD2-CG 4.31Å; Y18-L68 HydrophobicContact CE2-CD2 3.97Å; Y18-L68 HydrophobicContact CG-CD2 4.41Å; P21-L68 HydrophobicContact CB-CB 4.34Å; P21-L68 HydrophobicContact CB-CD2 3.76Å; P21-L68 HydrophobicContact CB-CG 4.1Å; P21-L68 HydrophobicContact CG-CB 4.01Å; P21-L68 HydrophobicContact CG-CD2 4.25Å; P21-L68 HydrophobicContact CG-CG 4.03Å; Y29-L68 HydrophobicContact CD1-CD2 4Å; Y29-L68 HydrophobicContact CD2-CD2 4.07Å; Y29-L68 HydrophobicContact CG-CD2 3.66Å; S65-L68 PolarHBondContact O-N 3.46Å; S65-L68 VanDerWaalsContact O-N 3.17Å; S65-L68 WeakPolarHBondContact OG-CB 3.24Å; S65-L68 PolarHBondContact OG-N 3.4Å; L68-N70 PolarHBondContact O-N 2.97Å; L68-I71 PolarHBondContact O-N 2.93Å; L68-V72 WeakPolarHBondContact O-CG2 3.43Å; L68-V72 PolarHBondContact O-N 3.47Å
69	S	81.2	Confident	76.8	Confident	30 Å²	30	82.7 Å²	82.7	21%	0.21	44%	0.436	C	S	.	.	H	α-helix	trans	-57.2	-47	171.5	-61.1	0	0	0	0	112	P21 S65 I71 V72 E73	P21-S69 VanDerWaalsContact CD-OG 3.31Å; P21-S69 WeakPolarHBondContact CD-OG 3.22Å; P21-S69 WeakPolarHBondContact CG-OG 3.33Å; S65-S69 PolarHBondContact O-N 3.24Å; S65-S69 PolarHBondContact O-OG 2.99Å; S65-S69 VanDerWaalsContact O-OG 3.11Å; S69-I71 VanDerWaalsContact C-N 3.32Å; S69-I71 PolarHBondContact O-N 2.91Å; S69-V72 PolarHBondContact O-N 3.37Å; S69-E73 VanDerWaalsContact O-CB 3.31Å; S69-E73 WeakPolarHBondContact O-CB 3.36Å; S69-E73 PolarHBondContact O-N 3.32Å
70	N	79.8	Confident	75.8	Confident	72 Å²	72	81.5 Å²	81.5	39%	0.385	43%	0.43	S	S	.	.	H	α-helix	trans	-64.8	-35.3	178.9	-70.4	-11.4	0	0	0	112.4	L66 K67 L68 R74	L66-N70 WeakPolarHBondContact O-CB 3.45Å; L66-N70 PolarHBondContact O-N 2.99Å; L66-N70 PolarHBondContact O-ND2 2.99Å; L66-N70 PolarHBondContact O-OD1 3.25Å; K67-N70 PolarHBondContact O-N 3.49Å; L68-N70 PolarHBondContact O-N 2.97Å; N70-R74 WeakPolarHBondContact O-CB 3.44Å; N70-R74 WeakPolarHBondContact O-CG 3.23Å; N70-R74 PolarHBondContact O-N 3.22Å; N70-R74 VanDerWaalsContact O-N 3.07Å
71	I	79.2	Confident	74.5	Confident	92 Å²	92	85.5 Å²	85.5	47%	0.472	45%	0.45	S	S	.	.	H	α-helix	trans	-67.4	-46.5	176.4	-69.4	164.4	0	0	0	110.1	L9 K67 L68 S69 R74 Y75	L9-I71 HydrophobicContact CD1-CG2 4.29Å; L9-I71 HydrophobicContact CD2-CG2 3.88Å; K67-I71 WeakPolarHBondContact O-CD1 3.22Å; K67-I71 VanDerWaalsContact O-CG1 3.27Å; K67-I71 WeakPolarHBondContact O-CG1 3.46Å; K67-I71 PolarHBondContact O-N 3.04Å; L68-I71 PolarHBondContact O-N 2.93Å; S69-I71 VanDerWaalsContact C-N 3.32Å; S69-I71 PolarHBondContact O-N 2.91Å; I71-R74 PolarHBondContact O-N 3.34Å; I71-Y75 WeakPolarHBondContact O-CB 3.29Å; I71-Y75 PolarHBondContact O-N 3.25Å
72	V	78.6	Confident	73	Confident	13 Å²	13	81.3 Å²	81.3	8%	0.079	44%	0.437	C	S	.	.	H	α-helix	trans	-63.8	-41.7	177.8	167.3	0	0	0	0	112	L9 I17 Y18 L68 S69 Y75 S76	L9-V72 HydrophobicContact CD2-CG2 4.35Å; I17-V72 HydrophobicContact CG2-CB 4.33Å; I17-V72 HydrophobicContact CG2-CG1 3.39Å; I17-V72 HydrophobicContact CG2-CG2 4.1Å; Y18-V72 WeakPolarHBondContact O-CG1 3.5Å; L68-V72 WeakPolarHBondContact O-CG2 3.43Å; L68-V72 PolarHBondContact O-N 3.47Å; S69-V72 PolarHBondContact O-N 3.37Å; V72-Y75 PolarHBondContact O-N 2.95Å; V72-S76 WeakPolarHBondContact O-CB 3.29Å; V72-S76 PolarHBondContact O-N 2.65Å; V72-S76 PolarHBondContact O-OG 2.9Å
73	E	75.9	Confident	71.3	Confident	131 Å²	131	84.1 Å²	84.1	61%	0.612	45%	0.452	S	S	*	.	H	α-helix	trans	-63.9	-45	178.3	-172.4	177.2	-163	0	0	111.1	S69 S76 A77	S69-E73 VanDerWaalsContact O-CB 3.31Å; S69-E73 WeakPolarHBondContact O-CB 3.36Å; S69-E73 PolarHBondContact O-N 3.32Å; E73-S76 PolarHBondContact O-N 2.99Å; E73-A77 WeakPolarHBondContact O-CB 3.3Å; E73-A77 PolarHBondContact O-N 3.5Å
74	R	74.1	Confident	69.5	Low	188 Å²	188	87.8 Å²	87.8	71%	0.709	47%	0.466	S	S	*	.	H	α-helix	trans	-65.5	-39.2	175.8	-72.1	175.4	-173.9	-168.6	1.2	112.6	N70 I71 A77 F78	N70-R74 WeakPolarHBondContact O-CB 3.44Å; N70-R74 WeakPolarHBondContact O-CG 3.23Å; N70-R74 PolarHBondContact O-N 3.22Å; N70-R74 VanDerWaalsContact O-N 3.07Å; I71-R74 PolarHBondContact O-N 3.34Å; R74-A77 PolarHBondContact O-N 3.27Å; R74-F78 PolarHBondContact O-N 2.85Å
75	Y	69.6	Low	67.5	Low	47 Å²	47	90.3 Å²	90.3	18%	0.184	48%	0.475	C	S	.	.	H	α-helix	trans	-64.4	-40.8	174.5	-178.2	-91.4	0	0	0	111.5	L5 K6 L9 I17 I71 V72 F78	L5-Y75 HydrophobicContact CD2-CD2 4.48Å; K6-Y75 WeakPolarHBondContact CB-OH 3.32Å; L9-Y75 HydrophobicContact CD1-CD1 4.34Å; L9-Y75 HydrophobicContact CD1-CD2 4.14Å; L9-Y75 HydrophobicContact CD1-CG 3.94Å; I17-Y75 HydrophobicContact CD1-CD1 4.08Å; I17-Y75 HydrophobicContact CD1-CE1 3.82Å; I71-Y75 WeakPolarHBondContact O-CB 3.29Å; I71-Y75 PolarHBondContact O-N 3.25Å; V72-Y75 PolarHBondContact O-N 2.95Å; Y75-F78 CarbonylContact O-C 3.49Å; Y75-F78 PolarHBondContact O-N 3.41Å; Y75-F78 VanDerWaalsContact O-O 3.06Å
76	S	66.2	Low	65.8	Low	74 Å²	74	91.9 Å²	91.9	52%	0.517	49%	0.489	S	S	.	.	H	α-helix	trans	-74.2	-27	179.8	-54	0	0	0	0	113	V72 E73 F78	V72-S76 WeakPolarHBondContact O-CB 3.29Å; V72-S76 PolarHBondContact O-N 2.65Å; V72-S76 PolarHBondContact O-OG 2.9Å; E73-S76 PolarHBondContact O-N 2.99Å; S76-F78 VanDerWaalsContact C-N 3.28Å; S76-F78 PolarHBondContact O-N 3.43Å
77	A	65	Low	64.1	Low	68 Å²	68	94.8 Å²	94.8	56%	0.562	50%	0.499	S	S	*	.	H	α-helix	trans	-74.7	-14.8	175.8	0	0	0	0	0	113.6	E73 R74	E73-A77 WeakPolarHBondContact O-CB 3.3Å; E73-A77 PolarHBondContact O-N 3.5Å; R74-A77 PolarHBondContact O-N 3.27Å
78	F	61.1	Low	62.4	Low	144 Å²	144	94 Å²	94	63%	0.632	49%	0.492	S	S	*	.	S	Bend	trans	-134.5	94.7	-179.7	-77.7	-86.2	0	0	0	110.8	R74 Y75 S76 L80	R74-F78 PolarHBondContact O-N 2.85Å; Y75-F78 CarbonylContact O-C 3.49Å; Y75-F78 PolarHBondContact O-N 3.41Å; Y75-F78 VanDerWaalsContact O-O 3.06Å; S76-F78 VanDerWaalsContact C-N 3.28Å; S76-F78 PolarHBondContact O-N 3.43Å; F78-L80 PolarHBondContact O-N 2.85Å
79	P	56.7	Low	60.7	Low	81 Å²	81	95.8 Å²	95.8	53%	0.526	51%	0.506	S	S	.	.			trans	-68.8	101.7	174.2	-6.7	21.4	0	0	0	109.1	D81 A82	P79-D81 PolarHBondContact O-N 3.45Å; P79-D81 VanDerWaalsContact O-N 3.14Å; P79-A82 HydrophobicContact CB-CB 4.27Å; P79-A82 WeakPolarHBondContact O-CB 3.32Å; P79-A82 PolarHBondContact O-N 3.37Å
80	L	52.9	Low	59.1	Low	99 Å²	99	99.8 Å²	99.8	52%	0.518	53%	0.534	S	S	.	.	H	α-helix	trans	-55.6	-28.7	173.7	-127.6	76.8	0	0	0	111.7	F78 A82 I83 L84	F78-L80 PolarHBondContact O-N 2.85Å; L80-A82 VanDerWaalsContact C-N 3.27Å; L80-A82 PolarHBondContact O-N 2.91Å; L80-I83 WeakPolarHBondContact O-CB 3.49Å; L80-I83 PolarHBondContact O-N 2.73Å; L80-I83 VanDerWaalsContact O-N 3.13Å; L80-L84 PolarHBondContact O-N 2.97Å; L80-L84 VanDerWaalsContact O-N 3.12Å
81	D	50.5	Low	57.7	Low	97 Å²	97	105.2 Å²	105.2	52%	0.519	55%	0.55	S	S	.	*	H	α-helix	trans	-65.6	-25.6	177	-66	-30.8	0	0	0	113.3	P79 N85	P79-D81 PolarHBondContact O-N 3.45Å; P79-D81 VanDerWaalsContact O-N 3.14Å; D81-N85 WeakPolarHBondContact O-CB 3.33Å; D81-N85 PolarHBondContact O-ND2 2.98Å
82	A	51.1	Low	56.6	Low	63 Å²	63	103.1 Å²	103.1	52%	0.521	54%	0.543	S	S	.	.	H	α-helix	trans	-78.4	-27	174.1	0	0	0	0	0	112.1	P79 L80	P79-A82 HydrophobicContact CB-CB 4.27Å; P79-A82 WeakPolarHBondContact O-CB 3.32Å; P79-A82 PolarHBondContact O-N 3.37Å; L80-A82 VanDerWaalsContact C-N 3.27Å; L80-A82 PolarHBondContact O-N 2.91Å
83	I	50.9	Low	55.6	Low	85 Å²	85	103 Å²	103	44%	0.436	54%	0.543	S	S	.	.	H	α-helix	trans	-78.5	-38.8	179.8	-59.7	173.2	0	0	0	110.8	L80	L80-I83 WeakPolarHBondContact O-CB 3.49Å; L80-I83 PolarHBondContact O-N 2.73Å; L80-I83 VanDerWaalsContact O-N 3.13Å
84	L	48.4	Very low	54.8	Low	134 Å²	134	105.7 Å²	105.7	70%	0.702	55%	0.552	S	S	*	*	H	α-helix	trans	-76.5	-22	-179.3	-68.2	171	0	0	0	113.5	L80	L80-L84 PolarHBondContact O-N 2.97Å; L80-L84 VanDerWaalsContact O-N 3.12Å
85	N	45.7	Very low	54	Low	130 Å²	130	103.5 Å²	103.5	70%	0.695	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	3	-176.2	-69.2	-45.4	0	0	0	114.7	D81 Q87	D81-N85 WeakPolarHBondContact O-CB 3.33Å; D81-N85 PolarHBondContact O-ND2 2.98Å; N85-Q87 PolarHBondContact O-N 3.33Å
86	A	47.1	Very low	53.7	Low	51 Å²	51	104.4 Å²	104.4	42%	0.421	56%	0.561	S	S	.	*			trans	-69.5	114	175.1	0	0	0	0	0	110.1	R88	A86-R88 PolarHBondContact O-N 3.48Å; A86-R88 VanDerWaalsContact O-N 3.13Å
87	Q	46.7	Very low	53.5	Low	193 Å²	193	106.4 Å²	106.4	90%	0.902	56%	0.562	S	S	*	*			trans	-61.3	115.8	172.6	-80.1	-178	-49.3	0	0	109.5	N85 S89	N85-Q87 PolarHBondContact O-N 3.33Å; Q87-S89 PolarHBondContact O-N 2.86Å
88	R	48.1	Very low	53.3	Low	158 Å²	158	113 Å²	113	60%	0.596	58%	0.578	S	S	*	*			trans	-64.7	123.2	178.4	-66.3	-178.3	178.8	177.2	-1.6	109.6	A86 C114	A86-R88 PolarHBondContact O-N 3.48Å; A86-R88 VanDerWaalsContact O-N 3.13Å; R88-C114 WeakPolarHBondContact CD-O 3.38Å; R88-C114 WeakPolarHBondContact CG-O 3.47Å
89	S	46.9	Very low	53.6	Low	62 Å²	62	108.6 Å²	108.6	43%	0.434	56%	0.563	S	S	.	*			trans	-110.6	141	176.5	72.3	0	0	0	0	109.9	Q87 Y91	Q87-S89 PolarHBondContact O-N 2.86Å; S89-Y91 PolarHBondContact O-N 3.42Å; S89-Y91 PolarHBondContact OG-O 3.4Å
90	S	46.9	Very low	54.4	Low	114 Å²	114	106.2 Å²	106.2	80%	0.797	54%	0.544	S	S	*	.	S	Bend	trans	-67.8	14.8	-178.3	-177.9	0	0	0	0	115.2
91	Y	50.7	Low	55.8	Low	185 Å²	185	104 Å²	104	73%	0.725	53%	0.532	S	S	*	.	S	Bend	trans	-131.6	150.1	179.6	-84.3	-90.3	0	0	0	108.6	S89 C93	S89-Y91 PolarHBondContact O-N 3.42Å; S89-Y91 PolarHBondContact OG-O 3.4Å; Y91-C93 PolarHBondContact O-N 2.74Å
92	P	54.5	Low	57.4	Low	48 Å²	48	100.8 Å²	100.8	31%	0.312	51%	0.514	S	S	.	.			trans	-56.6	114.6	-177.2	22.3	-32.2	0	0	0	108.7	K94	P92-K94 PolarHBondContact O-N 3.13Å
93	C	59.5	Low	58.9	Low	12 Å²	12	97.8 Å²	97.8	8%	0.081	49%	0.489	C	S	.	.			trans	-59.9	133.7	-178	63.7	0	0	0	0	109	Y91 D95 H96 C111 C114	Y91-C93 PolarHBondContact O-N 2.74Å; C93-D95 PolarHBondContact O-N 3.44Å; C93-H96 VanDerWaalsContact SG-CB 3.53Å; C93-H96 PolarHBondContact SG-ND1 2.7Å; C93-C111 PolarHBondContact SG-SG 3.31Å; C93-C114 PolarHBondContact SG-SG 3.41Å
94	K	58.6	Low	60.5	Low	186 Å²	186	95.8 Å²	95.8	81%	0.809	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.7	-179.3	-66.9	-174.9	178.8	-179.3	0	112.7	P92	P92-K94 PolarHBondContact O-N 3.13Å
95	D	56.4	Low	62.2	Low	143 Å²	143	92.7 Å²	92.7	77%	0.765	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-19.4	-172.4	-54.3	-46.8	0	0	0	113.3	C93	C93-D95 PolarHBondContact O-N 3.44Å
96	H	63.9	Low	63.8	Low	66 Å²	66	90 Å²	90	31%	0.306	45%	0.454	S	S	.	.			trans	-117.4	52.3	-173.7	-57.8	120.4	0	0	0	113.3	C93 K98 V99	C93-H96 VanDerWaalsContact SG-CB 3.53Å; C93-H96 PolarHBondContact SG-ND1 2.7Å; H96-K98 VanDerWaalsContact C-N 3.28Å; H96-K98 PolarHBondContact O-N 3.13Å; H96-V99 HydrophobicContact CB-CG2 3.58Å; H96-V99 WeakPolarHBondContact O-CG2 3.48Å; H96-V99 PolarHBondContact O-N 3.24Å
97	E	61.8	Low	65.5	Low	115 Å²	115	94.2 Å²	94.2	54%	0.537	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-56.7	-37.8	-177.4	-159.3	64.4	-138.5	0	0	113.7	V99 K100	E97-V99 VanDerWaalsContact C-N 3.27Å; E97-V99 PolarHBondContact O-N 3.2Å; E97-K100 IonicContact OE1-NZ 3.53Å; E97-K100 PolarHBondContact OE1-NZ 3.48Å; E97-K100 WeakPolarHBondContact OE2-CE 3.33Å; E97-K100 IonicContact OE2-NZ 3.28Å; E97-K100 PolarHBondContact OE2-NZ 2.89Å
98	K	61.7	Low	67.2	Low	208 Å²	208	87 Å²	87	90%	0.904	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-78.9	-2.8	-173	-64.6	-175.2	179.3	-179.3	0	115	H96	H96-K98 VanDerWaalsContact C-N 3.28Å; H96-K98 PolarHBondContact O-N 3.13Å
99	V	65.7	Low	68.8	Low	51 Å²	51	83.1 Å²	83.1	31%	0.309	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-130.9	23.3	-176.9	-64.7	0	0	0	0	111.8	H96 E97 F112 F113	H96-V99 HydrophobicContact CB-CG2 3.58Å; H96-V99 WeakPolarHBondContact O-CG2 3.48Å; H96-V99 PolarHBondContact O-N 3.24Å; E97-V99 VanDerWaalsContact C-N 3.27Å; E97-V99 PolarHBondContact O-N 3.2Å; V99-F112 HydrophobicContact CB-CB 4.44Å; V99-F112 PolarHBondContact O-N 3.08Å; V99-F113 HydrophobicContact CB-CE2 4.31Å; V99-F113 HydrophobicContact CG1-CE2 4.15Å; V99-F113 HydrophobicContact CG2-CD2 3.8Å; V99-F113 HydrophobicContact CG2-CE2 3.9Å
100	K	75.3	Confident	70.4	Confident	30 Å²	30	80.7 Å²	80.7	13%	0.13	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	137.8	168.9	-66.9	-178.9	-175	167.1	0	110	E97 V110 I128	E97-K100 IonicContact OE1-NZ 3.53Å; E97-K100 PolarHBondContact OE1-NZ 3.48Å; E97-K100 WeakPolarHBondContact OE2-CE 3.33Å; E97-K100 IonicContact OE2-NZ 3.28Å; E97-K100 PolarHBondContact OE2-NZ 2.89Å; K100-V110 CarbonylContact C-O 3.59Å; K100-V110 WeakPolarHBondContact CA-O 3.44Å; K100-I128 HydrophobicContact CB-CD1 3.57Å
101	L	80.4	Confident	71.7	Confident	53 Å²	53	75.3 Å²	75.3	28%	0.277	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	172.4	176.9	-60.5	173.2	0	0	0	108.4	L109 V110 V125 T126	L101-L109 WeakPolarHBondContact O-CA 3.32Å; L101-V110 HydrophobicContact CB-CG2 3.96Å; L101-V110 PolarHBondContact N-O 3.13Å; L101-V110 PolarHBondContact O-N 2.99Å; L101-V125 HydrophobicContact CB-CG1 3.46Å; L101-V125 VanDerWaalsContact CB-CG1 3.46Å; L101-V125 HydrophobicContact CD1-CG1 3.79Å; L101-V125 HydrophobicContact CG-CG1 4.23Å; L101-T126 WeakPolarHBondContact CA-O 3.25Å; L101-T126 WeakPolarHBondContact CB-O 3.3Å
102	F	84	Confident	72.4	Confident	30 Å²	30	73.3 Å²	73.3	13%	0.132	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.5	178	-168.9	-85.9	0	0	0	110.5	L104 K107 S108 L109 V125 T126 A131 I135	F102-L104 HydrophobicContact CD1-CD2 4.01Å; F102-L104 HydrophobicContact CD1-CG 4.5Å; F102-L104 HydrophobicContact CE1-CD2 4.24Å; F102-K107 VanDerWaalsContact CZ-CA 3.45Å; F102-K107 HydrophobicContact CZ-CB 4.17Å; F102-S108 WeakPolarHBondContact CD2-O 3.39Å; F102-L109 HydrophobicContact CD2-CD2 3.93Å; F102-L109 HydrophobicContact CD2-CG 4.21Å; F102-V125 WeakPolarHBondContact O-CA 3.04Å; F102-T126 PolarHBondContact N-O 3.46Å; F102-T126 PolarHBondContact O-N 2.97Å; F102-A131 HydrophobicContact CB-CB 3.49Å; F102-A131 VanDerWaalsContact CB-CB 3.49Å; F102-A131 HydrophobicContact CD1-CB 3.64Å; F102-A131 HydrophobicContact CG-CB 3.64Å; F102-I135 HydrophobicContact CD1-CD1 3.95Å; F102-I135 HydrophobicContact CE1-CD1 3.21Å; F102-I135 HydrophobicContact CE2-CD1 4.32Å; F102-I135 HydrophobicContact CZ-CD1 3.42Å; F102-I135 VanDerWaalsContact CZ-CD1 3.42Å
103	C	84.4	Confident	72.8	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	110.8	172.7	-178.8	0	0	0	0	109.2	S105 D106 K107 S108 V110 H120 H123 V125	C103-S105 VanDerWaalsContact C-N 3.31Å; C103-S105 PolarHBondContact O-N 3.19Å; C103-D106 HydrophobicContact CB-CB 4.36Å; C103-D106 PolarHBondContact SG-N 2.59Å; C103-D106 PolarHBondContact SG-OD2 2.88Å; C103-K107 WeakPolarHBondContact O-CA 3.39Å; C103-K107 PolarHBondContact O-N 3Å; C103-S108 PolarHBondContact N-O 3.23Å; C103-S108 PolarHBondContact O-N 3.12Å; C103-V110 HydrophobicContact CB-CG1 4.14Å; C103-H120 PolarHBondContact SG-ND1 3.44Å; C103-H123 VanDerWaalsContact SG-CB 3.53Å; C103-V125 HydrophobicContact CB-CG2 4.41Å
104	L	83.2	Confident	72.9	Confident	43 Å²	43	75.6 Å²	75.6	23%	0.225	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-32.6	-179.8	-68.2	171.8	0	0	0	112.3	F102 Q124 T126 A131 I135	F102-L104 HydrophobicContact CD1-CD2 4.01Å; F102-L104 HydrophobicContact CD1-CG 4.5Å; F102-L104 HydrophobicContact CE1-CD2 4.24Å; L104-Q124 HydrophobicContact CB-CB 4.5Å; L104-Q124 HydrophobicContact CD1-CG 4.02Å; L104-Q124 PolarHBondContact N-O 3.02Å; L104-T126 HydrophobicContact CD1-CG2 4.04Å; L104-T126 HydrophobicContact CD2-CG2 4.37Å; L104-T126 HydrophobicContact CG-CG2 4.12Å; L104-A131 HydrophobicContact CD2-CB 4.18Å; L104-I135 HydrophobicContact CD2-CD1 4.25Å; L104-I135 HydrophobicContact CD2-CG1 4.4Å
105	S	84.1	Confident	73.2	Confident	68 Å²	68	68.5 Å²	68.5	48%	0.476	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-46	178.7	-54.6	0	0	0	0	112.2	C103	C103-S105 VanDerWaalsContact C-N 3.31Å; C103-S105 PolarHBondContact O-N 3.19Å
106	D	80.9	Confident	73.5	Confident	75 Å²	75	66.7 Å²	66.7	40%	0.401	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-6.7	-175	-55.5	-44.2	0	0	0	113.3	C103 S108 H120 H123	C103-D106 HydrophobicContact CB-CB 4.36Å; C103-D106 PolarHBondContact SG-N 2.59Å; C103-D106 PolarHBondContact SG-OD2 2.88Å; D106-S108 VanDerWaalsContact C-N 3.3Å; D106-S108 PolarHBondContact O-N 3.33Å; D106-H120 IonicContact OD2-CE1 3.73Å; D106-H120 PolarHBondContact OD2-CE1 3.42Å; D106-H120 IonicContact OD2-ND1 2.88Å; D106-H120 PolarHBondContact OD2-ND1 2.97Å; D106-H123 VanDerWaalsContact CG-ND1 3.33Å; D106-H123 IonicContact OD1-CE1 3.13Å; D106-H123 PolarHBondContact OD1-CE1 3.15Å; D106-H123 IonicContact OD1-ND1 2.74Å; D106-H123 PolarHBondContact OD1-ND1 2.84Å; D106-H123 IonicContact OD2-CE1 2.75Å; D106-H123 PolarHBondContact OD2-CE1 2.78Å; D106-H123 VanDerWaalsContact OD2-CE1 3.23Å; D106-H123 IonicContact OD2-CG 3.06Å; D106-H123 IonicContact OD2-ND1 3.39Å; D106-H123 PolarHBondContact OD2-ND1 2.9Å
107	K	82.5	Confident	73.3	Confident	138 Å²	138	67.9 Å²	67.9	60%	0.6	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	45.2	-175.4	-57.5	-171.7	177.3	-166	0	112.7	F102 C103	F102-K107 VanDerWaalsContact CZ-CA 3.45Å; F102-K107 HydrophobicContact CZ-CB 4.17Å; C103-K107 WeakPolarHBondContact O-CA 3.39Å; C103-K107 PolarHBondContact O-N 3Å
108	S	81.8	Confident	73.3	Confident	43 Å²	43	66.1 Å²	66.1	30%	0.301	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.6	-175.2	64.9	0	0	0	0	112.8	F102 C103 D106	F102-S108 WeakPolarHBondContact CD2-O 3.39Å; C103-S108 PolarHBondContact N-O 3.23Å; C103-S108 PolarHBondContact O-N 3.12Å; D106-S108 VanDerWaalsContact C-N 3.3Å; D106-S108 PolarHBondContact O-N 3.33Å
109	L	81.9	Confident	73.4	Confident	75 Å²	75	61.4 Å²	61.4	39%	0.393	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.3	170.6	-73	167.1	0	0	0	109.5	L101 F102 I128	L101-L109 WeakPolarHBondContact O-CA 3.32Å; F102-L109 HydrophobicContact CD2-CD2 3.93Å; F102-L109 HydrophobicContact CD2-CG 4.21Å; L109-I128 HydrophobicContact CD2-CD1 3.97Å; L109-I128 HydrophobicContact CD2-CG1 3.91Å
110	V	79.3	Confident	73.3	Confident	11 Å²	11	60.8 Å²	60.8	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.1	177.8	-60.3	0	0	0	0	110.6	K100 L101 C103 D115 V125	K100-V110 CarbonylContact C-O 3.59Å; K100-V110 WeakPolarHBondContact CA-O 3.44Å; L101-V110 HydrophobicContact CB-CG2 3.96Å; L101-V110 PolarHBondContact N-O 3.13Å; L101-V110 PolarHBondContact O-N 2.99Å; C103-V110 HydrophobicContact CB-CG1 4.14Å; V110-D115 WeakPolarHBondContact CA-OD2 3.37Å; V110-D115 HydrophobicContact CB-CB 4.48Å; V110-V125 HydrophobicContact CG2-CG1 4Å
111	C	74.3	Confident	72.9	Confident	2 Å²	2	67 Å²	67	1%	0.014	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.1	174.8	174	0	0	0	0	109.6	C93 F113 C114 D115	C93-C111 PolarHBondContact SG-SG 3.31Å; C111-F113 PolarHBondContact O-N 2.9Å; C111-C114 HydrophobicContact CB-CB 4.03Å; C111-C114 PolarHBondContact O-N 3.38Å; C111-D115 PolarHBondContact N-OD2 3.26Å; C111-D115 PolarHBondContact O-N 3Å; C111-D115 VanDerWaalsContact O-N 3.09Å
112	F	66.1	Low	72.5	Confident	142 Å²	142	73.5 Å²	73.5	62%	0.623	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-30.2	-177.4	-175.8	-97.1	0	0	0	114.7	V99	V99-F112 HydrophobicContact CB-CB 4.44Å; V99-F112 PolarHBondContact O-N 3.08Å
113	F	61.8	Low	72.4	Confident	94 Å²	94	75.2 Å²	75.2	41%	0.412	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-24.1	-177.4	-64.4	-71	0	0	0	114.4	V99 C111	V99-F113 HydrophobicContact CB-CE2 4.31Å; V99-F113 HydrophobicContact CG1-CE2 4.15Å; V99-F113 HydrophobicContact CG2-CD2 3.8Å; V99-F113 HydrophobicContact CG2-CE2 3.9Å; C111-F113 PolarHBondContact O-N 2.9Å
114	C	63	Low	72.1	Confident	15 Å²	15	81.6 Å²	81.6	10%	0.101	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-30.9	-169.3	-62.9	0	0	0	0	113.3	R88 C93 C111	R88-C114 WeakPolarHBondContact CD-O 3.38Å; R88-C114 WeakPolarHBondContact CG-O 3.47Å; C93-C114 PolarHBondContact SG-SG 3.41Å; C111-C114 HydrophobicContact CB-CB 4.03Å; C111-C114 PolarHBondContact O-N 3.38Å
115	D	63.7	Low	72	Confident	37 Å²	37	82 Å²	82	20%	0.198	43%	0.426	C	S	.	.	S	Bend	trans	-84.5	149.2	178.4	-68.4	-55.5	0	0	0	111.5	V110 C111 P117	V110-D115 WeakPolarHBondContact CA-OD2 3.37Å; V110-D115 HydrophobicContact CB-CB 4.48Å; C111-D115 PolarHBondContact N-OD2 3.26Å; C111-D115 PolarHBondContact O-N 3Å; C111-D115 VanDerWaalsContact O-N 3.09Å; D115-P117 WeakPolarHBondContact O-CD 3.35Å
116	E	63.1	Low	72	Confident	105 Å²	105	79.9 Å²	79.9	49%	0.491	41%	0.41	S	S	.	.			trans	-70.6	116.5	-178.5	-73.6	-179	172.1	0	0	110.4	A118 L119	E116-A118 PolarHBondContact O-N 3.24Å; E116-A118 VanDerWaalsContact O-N 3.09Å; E116-L119 HydrophobicContact CB-CB 4.45Å; E116-L119 HydrophobicContact CB-CD1 3.83Å; E116-L119 HydrophobicContact CB-CG 3.92Å; E116-L119 HydrophobicContact CG-CD1 4.45Å; E116-L119 PolarHBondContact O-N 3.14Å
117	P	60.4	Low	72.1	Confident	91 Å²	91	79.1 Å²	79.1	59%	0.591	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-58.6	-29.6	-177.4	-25.7	35.6	0	0	0	113.2	D115 L119 H120 E121	D115-P117 WeakPolarHBondContact O-CD 3.35Å; P117-L119 VanDerWaalsContact C-N 3.32Å; P117-L119 PolarHBondContact O-N 3.46Å; P117-H120 PolarHBondContact O-N 3.42Å; P117-E121 PolarHBondContact O-N 2.99Å; P117-E121 VanDerWaalsContact O-N 3.13Å
118	A	62.5	Low	72.2	Confident	78 Å²	78	75.5 Å²	75.5	65%	0.645	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-67.5	-26.1	178.2	0	0	0	0	0	113.7	E116	E116-A118 PolarHBondContact O-N 3.24Å; E116-A118 VanDerWaalsContact O-N 3.09Å
119	L	62.8	Low	72.2	Confident	109 Å²	109	79.2 Å²	79.2	57%	0.571	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-76.2	-25.8	-179.4	-69.5	175.3	0	0	0	112.8	E116 P117	E116-L119 HydrophobicContact CB-CB 4.45Å; E116-L119 HydrophobicContact CB-CD1 3.83Å; E116-L119 HydrophobicContact CB-CG 3.92Å; E116-L119 HydrophobicContact CG-CD1 4.45Å; E116-L119 PolarHBondContact O-N 3.14Å; P117-L119 VanDerWaalsContact C-N 3.32Å; P117-L119 PolarHBondContact O-N 3.46Å
120	H	64.3	Low	72.4	Confident	38 Å²	38	81.2 Å²	81.2	18%	0.176	42%	0.418	C	S	.	.	S	Bend	trans	-118.2	11.8	-177.1	-62.6	-78.5	0	0	0	113.1	C103 D106 P117 Q122 H123 V125	C103-H120 PolarHBondContact SG-ND1 3.44Å; D106-H120 IonicContact OD2-CE1 3.73Å; D106-H120 PolarHBondContact OD2-CE1 3.42Å; D106-H120 IonicContact OD2-ND1 2.88Å; D106-H120 PolarHBondContact OD2-ND1 2.97Å; P117-H120 PolarHBondContact O-N 3.42Å; H120-Q122 PolarHBondContact O-N 2.86Å; H120-Q122 VanDerWaalsContact O-N 3.15Å; H120-H123 HydrophobicContact CB-CB 4.34Å; H120-H123 AromaticContact ND1-ND1 3.57Å; H120-H123 PolarHBondContact O-N 3.02Å; H120-V125 HydrophobicContact CB-CG2 4.35Å
121	E	65.9	Low	72.8	Confident	160 Å²	160	80.8 Å²	80.8	75%	0.748	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.8	-176.8	-166.4	174.2	-174.2	0	0	112.7	P117	P117-E121 PolarHBondContact O-N 2.99Å; P117-E121 VanDerWaalsContact O-N 3.13Å
122	Q	73.1	Confident	73.4	Confident	189 Å²	189	87.6 Å²	87.6	88%	0.883	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	1.5	178.2	-60	-175.2	4.9	0	0	113.5	H120	H120-Q122 PolarHBondContact O-N 2.86Å; H120-Q122 VanDerWaalsContact O-N 3.15Å
123	H	80.4	Confident	74.5	Confident	67 Å²	67	87.4 Å²	87.4	31%	0.31	44%	0.443	S	S	.	.	S	Bend	trans	-95.3	146.6	-177.3	-67.2	-178.9	0	0	0	110.9	C103 D106 H120 V125	C103-H123 VanDerWaalsContact SG-CB 3.53Å; D106-H123 VanDerWaalsContact CG-ND1 3.33Å; D106-H123 IonicContact OD1-CE1 3.13Å; D106-H123 PolarHBondContact OD1-CE1 3.15Å; D106-H123 IonicContact OD1-ND1 2.74Å; D106-H123 PolarHBondContact OD1-ND1 2.84Å; D106-H123 IonicContact OD2-CE1 2.75Å; D106-H123 PolarHBondContact OD2-CE1 2.78Å; D106-H123 VanDerWaalsContact OD2-CE1 3.23Å; D106-H123 IonicContact OD2-CG 3.06Å; D106-H123 IonicContact OD2-ND1 3.39Å; D106-H123 PolarHBondContact OD2-ND1 2.9Å; H120-H123 HydrophobicContact CB-CB 4.34Å; H120-H123 AromaticContact ND1-ND1 3.57Å; H120-H123 PolarHBondContact O-N 3.02Å; H123-V125 PolarHBondContact O-N 3.13Å
124	Q	79.2	Confident	75.8	Confident	133 Å²	133	87 Å²	87	62%	0.621	44%	0.443	S	S	*	.			trans	-77.2	110.4	176.6	-168.7	-179.5	0.4	0	0	109	L104	L104-Q124 HydrophobicContact CB-CB 4.5Å; L104-Q124 HydrophobicContact CD1-CG 4.02Å; L104-Q124 PolarHBondContact N-O 3.02Å
125	V	81.8	Confident	77.1	Confident	53 Å²	53	87.8 Å²	87.8	32%	0.321	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131	177.4	-178.5	0	0	0	0	109.2	L101 F102 C103 V110 H120 H123	L101-V125 HydrophobicContact CB-CG1 3.46Å; L101-V125 VanDerWaalsContact CB-CG1 3.46Å; L101-V125 HydrophobicContact CD1-CG1 3.79Å; L101-V125 HydrophobicContact CG-CG1 4.23Å; F102-V125 WeakPolarHBondContact O-CA 3.04Å; C103-V125 HydrophobicContact CB-CG2 4.41Å; V110-V125 HydrophobicContact CG2-CG1 4Å; H120-V125 HydrophobicContact CB-CG2 4.35Å; H123-V125 PolarHBondContact O-N 3.13Å
126	T	82.3	Confident	78.4	Confident	22 Å²	22	89.1 Å²	89.1	14%	0.135	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	174.6	176.7	-173.3	0	0	0	0	111.6	L101 F102 L104 E130 A131	L101-T126 WeakPolarHBondContact CA-O 3.25Å; L101-T126 WeakPolarHBondContact CB-O 3.3Å; F102-T126 PolarHBondContact N-O 3.46Å; F102-T126 PolarHBondContact O-N 2.97Å; L104-T126 HydrophobicContact CD1-CG2 4.04Å; L104-T126 HydrophobicContact CD2-CG2 4.37Å; L104-T126 HydrophobicContact CG-CG2 4.12Å; T126-E130 HydrophobicContact CG2-CB 4.35Å; T126-E130 PolarHBondContact OG1-OE2 3.21Å; T126-A131 HydrophobicContact CG2-CB 3.71Å
127	T	83.9	Confident	79.8	Confident	59 Å²	59	89.2 Å²	89.2	36%	0.362	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	156.1	172.8	69.9	0	0	0	0	111.1	D129 E130 A131	T127-D129 VanDerWaalsContact C-N 3.27Å; T127-D129 PolarHBondContact O-N 3.08Å; T127-E130 WeakPolarHBondContact OG1-CG 3.42Å; T127-E130 PolarHBondContact OG1-N 2.92Å; T127-A131 WeakPolarHBondContact O-CB 3.42Å; T127-A131 PolarHBondContact O-N 2.6Å
128	I	84.3	Confident	81.4	Confident	63 Å²	63	88 Å²	88	32%	0.323	43%	0.433	S	S	.	.	H	α-helix	trans	-60.2	-40.7	179.1	-67.7	172.9	0	0	0	111.1	K100 L109 A131 Y132	K100-I128 HydrophobicContact CB-CD1 3.57Å; L109-I128 HydrophobicContact CD2-CD1 3.97Å; L109-I128 HydrophobicContact CD2-CG1 3.91Å; I128-A131 PolarHBondContact O-N 2.79Å; I128-Y132 WeakPolarHBondContact O-CB 2.98Å; I128-Y132 PolarHBondContact O-N 3.38Å
129	D	83.1	Confident	82.9	Confident	121 Å²	121	90 Å²	90	65%	0.647	43%	0.43	S	S	*	.	H	α-helix	trans	-67	-46.2	-176.2	-63	-37.3	0	0	0	111.2	T127 Y132 E133	T127-D129 VanDerWaalsContact C-N 3.27Å; T127-D129 PolarHBondContact O-N 3.08Å; D129-Y132 PolarHBondContact O-N 2.94Å; D129-E133 WeakPolarHBondContact O-CG 3.47Å; D129-E133 PolarHBondContact O-N 2.91Å
130	E	85.3	Confident	84.4	Confident	117 Å²	117	90.6 Å²	90.6	55%	0.547	43%	0.428	S	S	.	.	H	α-helix	trans	-64.3	-42.2	176.2	-71.1	177.9	-167.3	0	0	112.1	T126 T127 Y132 E133 E134	T126-E130 HydrophobicContact CG2-CB 4.35Å; T126-E130 PolarHBondContact OG1-OE2 3.21Å; T127-E130 WeakPolarHBondContact OG1-CG 3.42Å; T127-E130 PolarHBondContact OG1-N 2.92Å; E130-Y132 VanDerWaalsContact C-N 3.35Å; E130-E133 PolarHBondContact O-N 3.06Å; E130-E134 WeakPolarHBondContact O-CB 3.42Å; E130-E134 PolarHBondContact O-N 3.05Å; E130-E134 VanDerWaalsContact O-N 3.07Å
131	A	87.1	Confident	86	Confident	2 Å²	2	93.6 Å²	93.6	2%	0.017	44%	0.442	C	S	.	.	H	α-helix	trans	-64.9	-38.8	175.4	0	0	0	0	0	112.3	F102 L104 T126 T127 I128 I135	F102-A131 HydrophobicContact CB-CB 3.49Å; F102-A131 VanDerWaalsContact CB-CB 3.49Å; F102-A131 HydrophobicContact CD1-CB 3.64Å; F102-A131 HydrophobicContact CG-CB 3.64Å; L104-A131 HydrophobicContact CD2-CB 4.18Å; T126-A131 HydrophobicContact CG2-CB 3.71Å; T127-A131 WeakPolarHBondContact O-CB 3.42Å; T127-A131 PolarHBondContact O-N 2.6Å; I128-A131 PolarHBondContact O-N 2.79Å; A131-I135 VanDerWaalsContact O-CB 3.27Å; A131-I135 WeakPolarHBondContact O-CB 3.41Å; A131-I135 VanDerWaalsContact O-CG1 3.25Å; A131-I135 WeakPolarHBondContact O-CG1 3.44Å; A131-I135 PolarHBondContact O-N 2.75Å
132	Y	87.6	Confident	87.4	Confident	145 Å²	145	90.6 Å²	90.6	57%	0.569	43%	0.428	S	S	*	.	H	α-helix	trans	-62.9	-48.1	177.6	177.4	-93.7	0	0	0	110.9	I128 D129 E130 Q136	I128-Y132 WeakPolarHBondContact O-CB 2.98Å; I128-Y132 PolarHBondContact O-N 3.38Å; D129-Y132 PolarHBondContact O-N 2.94Å; E130-Y132 VanDerWaalsContact C-N 3.35Å; Y132-Q136 WeakPolarHBondContact O-CB 3.25Å; Y132-Q136 PolarHBondContact O-N 3.16Å; Y132-Q136 PolarHBondContact OH-NE2 3.17Å
133	E	89.9	Confident	88.6	Confident	138 Å²	138	86 Å²	86	65%	0.645	41%	0.41	S	S	*	.	H	α-helix	trans	-60.7	-46.5	178.4	-72.3	-176.6	175.4	0	0	111.7	D129 E130 R137	D129-E133 WeakPolarHBondContact O-CG 3.47Å; D129-E133 PolarHBondContact O-N 2.91Å; E130-E133 PolarHBondContact O-N 3.06Å; E133-R137 VanDerWaalsContact O-CB 3.3Å; E133-R137 WeakPolarHBondContact O-CB 3.39Å; E133-R137 PolarHBondContact O-N 3.07Å
134	E	89	Confident	89.3	Confident	85 Å²	85	85.4 Å²	85.4	40%	0.397	42%	0.416	S	S	.	.	H	α-helix	trans	-67.5	-48	-178.2	-179.9	61.8	-177.2	0	0	112.5	E130 Q136 R137 E138	E130-E134 WeakPolarHBondContact O-CB 3.42Å; E130-E134 PolarHBondContact O-N 3.05Å; E130-E134 VanDerWaalsContact O-N 3.07Å; E134-Q136 PolarHBondContact O-N 2.84Å; E134-R137 WeakPolarHBondContact O-CB 3.4Å; E134-R137 PolarHBondContact O-N 2.74Å; E134-R137 IonicContact OE1-CZ 2.78Å; E134-R137 IonicContact OE1-NH2 3.04Å; E134-R137 PolarHBondContact OE1-NH2 3.22Å; E134-R137 IonicContact OE2-CZ 3.86Å; E134-R137 IonicContact OE2-NE 3.69Å; E134-R137 PolarHBondContact OE2-NE 2.89Å; E134-R137 IonicContact OE2-NH2 3.03Å; E134-R137 PolarHBondContact OE2-NH2 2.77Å; E134-E138 PolarHBondContact O-N 3.05Å
135	I	89.1	Confident	90.2	Very high	32 Å²	32	83.4 Å²	83.4	16%	0.164	41%	0.413	C	S	.	.	H	α-helix	trans	-68	-38.4	178.8	-66.9	170	0	0	0	110.6	F102 L104 A131 R137 E138 M139	F102-I135 HydrophobicContact CD1-CD1 3.95Å; F102-I135 HydrophobicContact CE1-CD1 3.21Å; F102-I135 HydrophobicContact CE2-CD1 4.32Å; F102-I135 HydrophobicContact CZ-CD1 3.42Å; F102-I135 VanDerWaalsContact CZ-CD1 3.42Å; L104-I135 HydrophobicContact CD2-CD1 4.25Å; L104-I135 HydrophobicContact CD2-CG1 4.4Å; A131-I135 VanDerWaalsContact O-CB 3.27Å; A131-I135 WeakPolarHBondContact O-CB 3.41Å; A131-I135 VanDerWaalsContact O-CG1 3.25Å; A131-I135 WeakPolarHBondContact O-CG1 3.44Å; A131-I135 PolarHBondContact O-N 2.75Å; I135-R137 VanDerWaalsContact C-N 3.3Å; I135-R137 PolarHBondContact O-N 2.85Å; I135-E138 PolarHBondContact O-N 3.31Å; I135-M139 HydrophobicContact CG2-CE 3.72Å; I135-M139 HydrophobicContact CG2-CG 4.28Å; I135-M139 HydrophobicContact CG2-SD 4.12Å; I135-M139 WeakPolarHBondContact O-CB 3.45Å; I135-M139 VanDerWaalsContact O-CG 3.27Å; I135-M139 WeakPolarHBondContact O-CG 3.33Å; I135-M139 PolarHBondContact O-N 3.2Å
136	Q	91.9	Very high	90.9	Very high	65 Å²	65	86.4 Å²	86.4	30%	0.304	43%	0.427	S	S	.	.	H	α-helix	trans	-64.2	-38.2	175.6	-171.7	-171.8	68.6	0	0	111.1	Y132 E134 K140	Y132-Q136 WeakPolarHBondContact O-CB 3.25Å; Y132-Q136 PolarHBondContact O-N 3.16Å; Y132-Q136 PolarHBondContact OH-NE2 3.17Å; E134-Q136 PolarHBondContact O-N 2.84Å; Q136-K140 HydrophobicContact CG-CD 4.31Å; Q136-K140 WeakPolarHBondContact O-CB 3.16Å; Q136-K140 VanDerWaalsContact O-CG 3.27Å; Q136-K140 WeakPolarHBondContact O-CG 2.96Å; Q136-K140 PolarHBondContact O-N 2.68Å
137	R	93	Very high	91.6	Very high	107 Å²	107	90.3 Å²	90.3	40%	0.404	44%	0.443	S	S	.	.	H	α-helix	trans	-63.3	-50.1	173.4	-174.6	-172.1	65.7	73.8	1.4	111.1	E133 E134 I135 M139 K140 E141	E133-R137 VanDerWaalsContact O-CB 3.3Å; E133-R137 WeakPolarHBondContact O-CB 3.39Å; E133-R137 PolarHBondContact O-N 3.07Å; E134-R137 WeakPolarHBondContact O-CB 3.4Å; E134-R137 PolarHBondContact O-N 2.74Å; E134-R137 IonicContact OE1-CZ 2.78Å; E134-R137 IonicContact OE1-NH2 3.04Å; E134-R137 PolarHBondContact OE1-NH2 3.22Å; E134-R137 IonicContact OE2-CZ 3.86Å; E134-R137 IonicContact OE2-NE 3.69Å; E134-R137 PolarHBondContact OE2-NE 2.89Å; E134-R137 IonicContact OE2-NH2 3.03Å; E134-R137 PolarHBondContact OE2-NH2 2.77Å; I135-R137 VanDerWaalsContact C-N 3.3Å; I135-R137 PolarHBondContact O-N 2.85Å; R137-M139 VanDerWaalsContact C-N 3.32Å; R137-M139 PolarHBondContact O-N 2.95Å; R137-K140 PolarHBondContact O-N 2.84Å; R137-K140 VanDerWaalsContact O-N 3.15Å; R137-E141 IonicContact CZ-OE1 2.81Å; R137-E141 IonicContact NH1-OE1 2.64Å; R137-E141 PolarHBondContact NH1-OE1 3.12Å; R137-E141 IonicContact NH1-OE2 2.99Å; R137-E141 PolarHBondContact NH1-OE2 3.31Å; R137-E141 WeakPolarHBondContact O-CG 3.15Å; R137-E141 PolarHBondContact O-N 3.22Å
138	E	92.9	Very high	92.3	Very high	66 Å²	66	93.2 Å²	93.2	31%	0.308	46%	0.456	S	S	.	.	H	α-helix	trans	-56.8	-45.5	176.7	-170	-166.8	162.6	0	0	111.3	E134 I135 K140 E141 Q142	E134-E138 PolarHBondContact O-N 3.05Å; I135-E138 PolarHBondContact O-N 3.31Å; E138-K140 PolarHBondContact O-N 3.21Å; E138-E141 PolarHBondContact O-N 2.54Å; E138-Q142 WeakPolarHBondContact O-CG 3.3Å; E138-Q142 PolarHBondContact O-N 2.92Å; E138-Q142 PolarHBondContact OE1-NE2 2.69Å; E138-Q142 VanDerWaalsContact OE1-NE2 3.08Å
139	M	94.3	Very high	92.9	Very high	119 Å²	119	92.7 Å²	92.7	59%	0.586	46%	0.458	S	S	*	.	H	α-helix	trans	-64.3	-38.4	177.6	-74.6	-176.9	176.2	0	0	112.6	I135 R137 L143	I135-M139 HydrophobicContact CG2-CE 3.72Å; I135-M139 HydrophobicContact CG2-CG 4.28Å; I135-M139 HydrophobicContact CG2-SD 4.12Å; I135-M139 WeakPolarHBondContact O-CB 3.45Å; I135-M139 VanDerWaalsContact O-CG 3.27Å; I135-M139 WeakPolarHBondContact O-CG 3.33Å; I135-M139 PolarHBondContact O-N 3.2Å; R137-M139 VanDerWaalsContact C-N 3.32Å; R137-M139 PolarHBondContact O-N 2.95Å; M139-L143 VanDerWaalsContact O-CB 3.29Å; M139-L143 WeakPolarHBondContact O-CB 3.22Å; M139-L143 PolarHBondContact O-N 3.02Å
140	K	95.3	Very high	93.5	Very high	121 Å²	121	93 Å²	93	53%	0.526	46%	0.456	S	S	.	.	H	α-helix	trans	-66	-40	175.1	-77.8	168.9	178.7	165.4	0	111.5	Q136 R137 E138 L143 A144	Q136-K140 HydrophobicContact CG-CD 4.31Å; Q136-K140 WeakPolarHBondContact O-CB 3.16Å; Q136-K140 VanDerWaalsContact O-CG 3.27Å; Q136-K140 WeakPolarHBondContact O-CG 2.96Å; Q136-K140 PolarHBondContact O-N 2.68Å; R137-K140 PolarHBondContact O-N 2.84Å; R137-K140 VanDerWaalsContact O-N 3.15Å; E138-K140 PolarHBondContact O-N 3.21Å; K140-L143 PolarHBondContact O-N 2.71Å; K140-A144 WeakPolarHBondContact O-CB 3.5Å; K140-A144 PolarHBondContact O-N 2.87Å
141	E	96.6	Very high	94.1	Very high	101 Å²	101	93.4 Å²	93.4	47%	0.472	46%	0.456	S	S	.	.	H	α-helix	trans	-64.6	-47.3	174.9	-74	171.6	-171.5	0	0	111.2	R137 E138 L143 A144 T145	R137-E141 IonicContact CZ-OE1 2.81Å; R137-E141 IonicContact NH1-OE1 2.64Å; R137-E141 PolarHBondContact NH1-OE1 3.12Å; R137-E141 IonicContact NH1-OE2 2.99Å; R137-E141 PolarHBondContact NH1-OE2 3.31Å; R137-E141 WeakPolarHBondContact O-CG 3.15Å; R137-E141 PolarHBondContact O-N 3.22Å; E138-E141 PolarHBondContact O-N 2.54Å; E141-L143 VanDerWaalsContact C-N 3.34Å; E141-L143 PolarHBondContact O-N 3.46Å; E141-A144 PolarHBondContact O-N 2.78Å; E141-T145 WeakPolarHBondContact O-CG2 3.31Å; E141-T145 PolarHBondContact O-N 3.19Å
142	Q	96.1	Very high	94.6	Very high	97 Å²	97	95 Å²	95	45%	0.453	47%	0.473	S	S	.	.	H	α-helix	trans	-59.3	-44	174.5	-73.7	178	-1.6	0	0	111.7	E138 A144 T145 L146	E138-Q142 WeakPolarHBondContact O-CG 3.3Å; E138-Q142 PolarHBondContact O-N 2.92Å; E138-Q142 PolarHBondContact OE1-NE2 2.69Å; E138-Q142 VanDerWaalsContact OE1-NE2 3.08Å; Q142-A144 VanDerWaalsContact C-N 3.35Å; Q142-A144 PolarHBondContact O-N 3.41Å; Q142-T145 WeakPolarHBondContact CA-OG1 3.31Å; Q142-T145 PolarHBondContact O-N 3.39Å; Q142-T145 PolarHBondContact O-OG1 3.41Å; Q142-L146 WeakPolarHBondContact O-CG 3.02Å; Q142-L146 PolarHBondContact O-N 2.75Å
143	L	96.6	Very high	95.1	Very high	94 Å²	94	93.9 Å²	93.9	49%	0.492	47%	0.473	S	S	.	.	H	α-helix	trans	-58.8	-45.6	175.3	178.9	62.8	0	0	0	111.7	M139 K140 E141 T145 L146 Q147	M139-L143 VanDerWaalsContact O-CB 3.29Å; M139-L143 WeakPolarHBondContact O-CB 3.22Å; M139-L143 PolarHBondContact O-N 3.02Å; K140-L143 PolarHBondContact O-N 2.71Å; E141-L143 VanDerWaalsContact C-N 3.34Å; E141-L143 PolarHBondContact O-N 3.46Å; L143-T145 PolarHBondContact O-N 3.44Å; L143-L146 PolarHBondContact O-N 3.01Å; L143-Q147 HydrophobicContact CD1-CG 4.31Å; L143-Q147 VanDerWaalsContact O-CG 3.3Å; L143-Q147 WeakPolarHBondContact O-CG 3.44Å; L143-Q147 PolarHBondContact O-N 2.82Å
144	A	96.7	Very high	95.4	Very high	53 Å²	53	90.3 Å²	90.3	44%	0.438	46%	0.461	S	S	.	.	H	α-helix	trans	-61.7	-42.4	177.8	0	0	0	0	0	111.8	K140 E141 Q142 L146 Q147 D148	K140-A144 WeakPolarHBondContact O-CB 3.5Å; K140-A144 PolarHBondContact O-N 2.87Å; E141-A144 PolarHBondContact O-N 2.78Å; Q142-A144 VanDerWaalsContact C-N 3.35Å; Q142-A144 PolarHBondContact O-N 3.41Å; A144-L146 PolarHBondContact O-N 2.89Å; A144-Q147 PolarHBondContact O-N 3.38Å; A144-D148 PolarHBondContact O-N 2.75Å
145	T	97.2	Very high	95.8	Very high	92 Å²	92	91.5 Å²	91.5	56%	0.564	47%	0.466	S	S	*	.	H	α-helix	trans	-64.6	-37.7	175.8	61.9	0	0	0	0	112.7	E141 Q142 L143 S149	E141-T145 WeakPolarHBondContact O-CG2 3.31Å; E141-T145 PolarHBondContact O-N 3.19Å; Q142-T145 WeakPolarHBondContact CA-OG1 3.31Å; Q142-T145 PolarHBondContact O-N 3.39Å; Q142-T145 PolarHBondContact O-OG1 3.41Å; L143-T145 PolarHBondContact O-N 3.44Å; T145-S149 WeakPolarHBondContact O-CB 3.45Å; T145-S149 PolarHBondContact O-N 3.35Å
146	L	97.3	Very high	96.2	Very high	116 Å²	116	92.2 Å²	92.2	61%	0.607	48%	0.477	S	S	*	.	H	α-helix	trans	-67.7	-38.7	175.8	-74	173.3	0	0	0	111.8	Q142 L143 A144 S149 E150	Q142-L146 WeakPolarHBondContact O-CG 3.02Å; Q142-L146 PolarHBondContact O-N 2.75Å; L143-L146 PolarHBondContact O-N 3.01Å; A144-L146 PolarHBondContact O-N 2.89Å; L146-S149 PolarHBondContact O-N 3.33Å; L146-E150 WeakPolarHBondContact O-CB 3.37Å; L146-E150 PolarHBondContact O-N 2.88Å
147	Q	97.5	Very high	96.5	Very high	104 Å²	104	94.1 Å²	94.1	49%	0.486	49%	0.489	S	S	.	.	H	α-helix	trans	-66.5	-41.1	176.3	-73.7	174.3	-28.9	0	0	112.2	L143 A144 E150 K151	L143-Q147 HydrophobicContact CD1-CG 4.31Å; L143-Q147 VanDerWaalsContact O-CG 3.3Å; L143-Q147 WeakPolarHBondContact O-CG 3.44Å; L143-Q147 PolarHBondContact O-N 2.82Å; A144-Q147 PolarHBondContact O-N 3.38Å; Q147-E150 PolarHBondContact O-N 2.91Å; Q147-K151 PolarHBondContact O-N 2.82Å
148	D	96.6	Very high	96.7	Very high	119 Å²	119	94.7 Å²	94.7	64%	0.636	50%	0.496	S	S	*	.	H	α-helix	trans	-65	-41.8	174.2	-169.1	56.6	0	0	0	111.4	A144 K151 G152	A144-D148 PolarHBondContact O-N 2.75Å; D148-K151 WeakPolarHBondContact O-CB 3.41Å; D148-K151 PolarHBondContact O-N 3.17Å; D148-G152 PolarHBondContact O-N 2.99Å
149	S	97.1	Very high	96.9	Very high	52 Å²	52	96.2 Å²	96.2	36%	0.364	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-45.9	173.2	-175.1	0	0	0	0	112.1	T145 L146 K151 G152 H153	T145-S149 WeakPolarHBondContact O-CB 3.45Å; T145-S149 PolarHBondContact O-N 3.35Å; L146-S149 PolarHBondContact O-N 3.33Å; S149-K151 VanDerWaalsContact C-N 3.31Å; S149-K151 PolarHBondContact O-N 3.47Å; S149-G152 PolarHBondContact O-N 2.86Å; S149-H153 PolarHBondContact O-N 3.05Å; S149-H153 PolarHBondContact O-ND1 2.92Å; S149-H153 PolarHBondContact OG-CE1 3.33Å; S149-H153 VanDerWaalsContact OG-CE1 3.25Å; S149-H153 PolarHBondContact OG-ND1 2.81Å
150	E	97.5	Very high	97.1	Very high	129 Å²	129	95.3 Å²	95.3	60%	0.603	50%	0.503	S	S	*	.	H	α-helix	trans	-57.6	-44.4	176.4	-179.6	-174.2	-162.7	0	0	111.2	L146 Q147 H153 T154	L146-E150 WeakPolarHBondContact O-CB 3.37Å; L146-E150 PolarHBondContact O-N 2.88Å; Q147-E150 PolarHBondContact O-N 2.91Å; E150-H153 PolarHBondContact O-N 2.85Å; E150-T154 WeakPolarHBondContact O-CB 3.24Å; E150-T154 PolarHBondContact O-N 2.87Å; E150-T154 PolarHBondContact O-OG1 2.84Å
151	K	97.2	Very high	97.2	Very high	124 Å²	124	95.5 Å²	95.5	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-60.4	-49.4	175.6	-175.5	-174.5	172.8	-167.8	0	111.4	Q147 D148 S149 H153 T154 E155	Q147-K151 PolarHBondContact O-N 2.82Å; D148-K151 WeakPolarHBondContact O-CB 3.41Å; D148-K151 PolarHBondContact O-N 3.17Å; S149-K151 VanDerWaalsContact C-N 3.31Å; S149-K151 PolarHBondContact O-N 3.47Å; K151-H153 PolarHBondContact O-N 3.42Å; K151-T154 WeakPolarHBondContact O-CB 3.17Å; K151-T154 PolarHBondContact O-N 2.93Å; K151-E155 WeakPolarHBondContact CE-OE1 3.26Å; K151-E155 WeakPolarHBondContact O-CG 3.37Å; K151-E155 PolarHBondContact O-N 2.99Å
152	G	97.6	Very high	97.2	Very high	37 Å²	37	98.1 Å²	98.1	38%	0.381	51%	0.511	S	S	.	.	H	α-helix	trans	-59.6	-42.8	177.8	0	0	0	0	0	113.1	D148 S149 E155 A156	D148-G152 PolarHBondContact O-N 2.99Å; S149-G152 PolarHBondContact O-N 2.86Å; G152-E155 PolarHBondContact O-N 3.15Å; G152-A156 WeakPolarHBondContact O-CB 3.42Å; G152-A156 PolarHBondContact O-N 2.78Å
153	H	96.8	Very high	97.2	Very high	120 Å²	120	97.9 Å²	97.9	56%	0.556	51%	0.51	S	S	*	.	H	α-helix	trans	-66	-37.2	175.5	-74.4	87.5	0	0	0	112.3	S149 E150 K151 A156 L157	S149-H153 PolarHBondContact O-N 3.05Å; S149-H153 PolarHBondContact O-ND1 2.92Å; S149-H153 PolarHBondContact OG-CE1 3.33Å; S149-H153 VanDerWaalsContact OG-CE1 3.25Å; S149-H153 PolarHBondContact OG-ND1 2.81Å; E150-H153 PolarHBondContact O-N 2.85Å; K151-H153 PolarHBondContact O-N 3.42Å; H153-A156 PolarHBondContact O-N 2.75Å; H153-L157 WeakPolarHBondContact O-CB 3.24Å; H153-L157 WeakPolarHBondContact O-CG 3.37Å; H153-L157 PolarHBondContact O-N 3.1Å
154	T	97.7	Very high	97.2	Very high	64 Å²	64	98 Å²	98	39%	0.393	51%	0.511	S	S	.	.	H	α-helix	trans	-64.5	-45.6	176.5	-60	0	0	0	0	111.2	E150 K151 L157 Q158	E150-T154 WeakPolarHBondContact O-CB 3.24Å; E150-T154 PolarHBondContact O-N 2.87Å; E150-T154 PolarHBondContact O-OG1 2.84Å; K151-T154 WeakPolarHBondContact O-CB 3.17Å; K151-T154 PolarHBondContact O-N 2.93Å; T154-L157 PolarHBondContact O-N 3.38Å; T154-Q158 WeakPolarHBondContact O-CG 3.25Å; T154-Q158 PolarHBondContact O-N 3.24Å
155	E	97.7	Very high	97.2	Very high	109 Å²	109	99.7 Å²	99.7	51%	0.509	52%	0.516	S	S	.	.	H	α-helix	trans	-62.6	-42.2	175.6	-70.7	175.8	-175.6	0	0	111.6	K151 G152 Q158 L159	K151-E155 WeakPolarHBondContact CE-OE1 3.26Å; K151-E155 WeakPolarHBondContact O-CG 3.37Å; K151-E155 PolarHBondContact O-N 2.99Å; G152-E155 PolarHBondContact O-N 3.15Å; E155-Q158 PolarHBondContact O-N 3.05Å; E155-L159 PolarHBondContact O-N 2.91Å
156	A	97.4	Very high	97	Very high	48 Å²	48	99.5 Å²	99.5	40%	0.397	51%	0.508	S	S	.	.	H	α-helix	trans	-62.9	-42.7	175.8	0	0	0	0	0	112.4	G152 H153 L159 L160	G152-A156 WeakPolarHBondContact O-CB 3.42Å; G152-A156 PolarHBondContact O-N 2.78Å; H153-A156 PolarHBondContact O-N 2.75Å; A156-L159 PolarHBondContact O-N 2.73Å; A156-L160 WeakPolarHBondContact O-CG 3.29Å; A156-L160 PolarHBondContact O-N 3.39Å
157	L	97.9	Very high	96.8	Very high	105 Å²	105	98.2 Å²	98.2	55%	0.55	51%	0.506	S	S	.	.	H	α-helix	trans	-63.5	-42.2	176	-78.9	172.8	0	0	0	111.9	H153 T154 L159 L160 Q161	H153-L157 WeakPolarHBondContact O-CB 3.24Å; H153-L157 WeakPolarHBondContact O-CG 3.37Å; H153-L157 PolarHBondContact O-N 3.1Å; T154-L157 PolarHBondContact O-N 3.38Å; L157-L159 VanDerWaalsContact C-N 3.34Å; L157-L159 PolarHBondContact O-N 3.14Å; L157-L160 PolarHBondContact O-N 3.45Å; L157-Q161 WeakPolarHBondContact O-CB 3.28Å; L157-Q161 VanDerWaalsContact O-CG 3.27Å; L157-Q161 WeakPolarHBondContact O-CG 3.32Å; L157-Q161 PolarHBondContact O-N 3.47Å
158	Q	97.3	Very high	96.7	Very high	118 Å²	118	99.8 Å²	99.8	55%	0.551	51%	0.511	S	S	*	.	H	α-helix	trans	-61.9	-42.3	175.5	-72.5	176.5	4.3	0	0	111.6	T154 E155 Q161 R162	T154-Q158 WeakPolarHBondContact O-CG 3.25Å; T154-Q158 PolarHBondContact O-N 3.24Å; E155-Q158 PolarHBondContact O-N 3.05Å; Q158-Q161 PolarHBondContact O-N 3.42Å; Q158-R162 WeakPolarHBondContact O-CB 3.5Å; Q158-R162 PolarHBondContact O-N 2.89Å
159	L	97.2	Very high	96.6	Very high	98 Å²	98	98 Å²	98	51%	0.513	51%	0.508	S	S	.	.	H	α-helix	trans	-61.1	-47.1	175.4	-179.9	63.6	0	0	0	111.6	E155 A156 L157 R162 Q163	E155-L159 PolarHBondContact O-N 2.91Å; A156-L159 PolarHBondContact O-N 2.73Å; L157-L159 VanDerWaalsContact C-N 3.34Å; L157-L159 PolarHBondContact O-N 3.14Å; L159-R162 WeakPolarHBondContact O-CB 3.4Å; L159-R162 PolarHBondContact O-N 2.77Å; L159-Q163 WeakPolarHBondContact O-CG 3.36Å; L159-Q163 PolarHBondContact O-N 3.4Å
160	L	97.1	Very high	96.3	Very high	101 Å²	101	99 Å²	99	53%	0.529	51%	0.514	S	S	.	.	H	α-helix	trans	-64.8	-40.2	178.8	-72.4	172.2	0	0	0	112.2	A156 L157 R162 Q163 L164	A156-L160 WeakPolarHBondContact O-CG 3.29Å; A156-L160 PolarHBondContact O-N 3.39Å; L157-L160 PolarHBondContact O-N 3.45Å; L160-R162 VanDerWaalsContact C-N 3.34Å; L160-R162 PolarHBondContact O-N 3.23Å; L160-Q163 PolarHBondContact O-N 2.84Å; L160-L164 WeakPolarHBondContact O-CB 3.33Å; L160-L164 PolarHBondContact O-N 3.06Å
161	Q	97.4	Very high	96.1	Very high	125 Å²	125	94.3 Å²	94.3	58%	0.584	50%	0.498	S	S	*	.	H	α-helix	trans	-62.5	-41.7	174.9	-75.7	175.5	-7.3	0	0	111.7	L157 Q158 L164 T165	L157-Q161 WeakPolarHBondContact O-CB 3.28Å; L157-Q161 VanDerWaalsContact O-CG 3.27Å; L157-Q161 WeakPolarHBondContact O-CG 3.32Å; L157-Q161 PolarHBondContact O-N 3.47Å; Q158-Q161 PolarHBondContact O-N 3.42Å; Q161-L164 WeakPolarHBondContact O-CB 3.38Å; Q161-L164 PolarHBondContact O-N 3.26Å; Q161-T165 WeakPolarHBondContact O-CG2 3.43Å; Q161-T165 PolarHBondContact O-N 3.22Å; Q161-T165 PolarHBondContact O-OG1 3.1Å
162	R	96.8	Very high	96	Very high	156 Å²	156	96.2 Å²	96.2	59%	0.589	51%	0.506	S	S	*	.	H	α-helix	trans	-63.3	-46.8	173.9	179.3	178.4	172	179.4	-2.5	111.8	Q158 L159 L160 L164 T165 E166	Q158-R162 WeakPolarHBondContact O-CB 3.5Å; Q158-R162 PolarHBondContact O-N 2.89Å; L159-R162 WeakPolarHBondContact O-CB 3.4Å; L159-R162 PolarHBondContact O-N 2.77Å; L160-R162 VanDerWaalsContact C-N 3.34Å; L160-R162 PolarHBondContact O-N 3.23Å; R162-L164 VanDerWaalsContact C-N 3.27Å; R162-L164 PolarHBondContact O-N 3.49Å; R162-T165 PolarHBondContact O-N 3.03Å; R162-T165 PolarHBondContact O-OG1 3.04Å; R162-E166 HydrophobicContact CG-CG 4.32Å; R162-E166 IonicContact CZ-OE1 2.84Å; R162-E166 IonicContact NE-OE1 2.68Å; R162-E166 PolarHBondContact NE-OE1 3.45Å; R162-E166 IonicContact NH2-OE1 3.07Å; R162-E166 PolarHBondContact NH2-OE1 3.36Å; R162-E166 VanDerWaalsContact NH2-OE1 3.13Å; R162-E166 WeakPolarHBondContact O-CB 3.21Å; R162-E166 WeakPolarHBondContact O-CG 3.28Å; R162-E166 PolarHBondContact O-N 3.46Å
163	Q	96.4	Very high	95.7	Very high	92 Å²	92	96.1 Å²	96.1	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-59.5	-39.2	176.1	-75.5	-179.1	-24.2	0	0	111.9	L159 L160 T167	L159-Q163 WeakPolarHBondContact O-CG 3.36Å; L159-Q163 PolarHBondContact O-N 3.4Å; L160-Q163 PolarHBondContact O-N 2.84Å; Q163-T167 VanDerWaalsContact O-CB 3.22Å; Q163-T167 WeakPolarHBondContact O-CB 3.03Å; Q163-T167 PolarHBondContact O-N 3.21Å; Q163-T167 PolarHBondContact O-OG1 3.47Å
164	L	96.6	Very high	95.4	Very high	96 Å²	96	95.7 Å²	95.7	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-46.1	176.7	-178.5	67.9	0	0	0	111.8	L160 Q161 R162 K168	L160-L164 WeakPolarHBondContact O-CB 3.33Å; L160-L164 PolarHBondContact O-N 3.06Å; Q161-L164 WeakPolarHBondContact O-CB 3.38Å; Q161-L164 PolarHBondContact O-N 3.26Å; R162-L164 VanDerWaalsContact C-N 3.27Å; R162-L164 PolarHBondContact O-N 3.49Å; L164-K168 HydrophobicContact CG-CD 4.42Å; L164-K168 WeakPolarHBondContact O-CB 3.47Å; L164-K168 VanDerWaalsContact O-CG 3.32Å; L164-K168 WeakPolarHBondContact O-CG 3.33Å; L164-K168 PolarHBondContact O-N 3.36Å
165	T	96.3	Very high	95.3	Very high	89 Å²	89	101.3 Å²	101.3	55%	0.546	52%	0.521	S	S	.	.	H	α-helix	trans	-68.2	-43.2	179.7	56.2	0	0	0	0	111.6	Q161 R162 T167 K168 S169	Q161-T165 WeakPolarHBondContact O-CG2 3.43Å; Q161-T165 PolarHBondContact O-N 3.22Å; Q161-T165 PolarHBondContact O-OG1 3.1Å; R162-T165 PolarHBondContact O-N 3.03Å; R162-T165 PolarHBondContact O-OG1 3.04Å; T165-T167 PolarHBondContact O-N 3.15Å; T165-K168 PolarHBondContact O-N 2.94Å; T165-S169 WeakPolarHBondContact O-CB 3.49Å; T165-S169 PolarHBondContact O-N 3.29Å
166	E	94.7	Very high	95	Very high	87 Å²	87	98.4 Å²	98.4	41%	0.407	52%	0.515	S	S	.	.	H	α-helix	trans	-61.2	-43.4	175.2	-73.5	176.7	174.6	0	0	111.8	R162 S169 S170	R162-E166 HydrophobicContact CG-CG 4.32Å; R162-E166 IonicContact CZ-OE1 2.84Å; R162-E166 IonicContact NE-OE1 2.68Å; R162-E166 PolarHBondContact NE-OE1 3.45Å; R162-E166 IonicContact NH2-OE1 3.07Å; R162-E166 PolarHBondContact NH2-OE1 3.36Å; R162-E166 VanDerWaalsContact NH2-OE1 3.13Å; R162-E166 WeakPolarHBondContact O-CB 3.21Å; R162-E166 WeakPolarHBondContact O-CG 3.28Å; R162-E166 PolarHBondContact O-N 3.46Å; E166-S169 PolarHBondContact O-N 3.49Å; E166-S170 VanDerWaalsContact O-CB 3.27Å; E166-S170 WeakPolarHBondContact O-CB 3.2Å; E166-S170 PolarHBondContact O-N 2.94Å; E166-S170 PolarHBondContact O-OG 3.5Å
167	T	92.9	Very high	94.7	Very high	90 Å²	90	100.3 Å²	100.3	55%	0.552	52%	0.522	S	S	*	.	H	α-helix	trans	-65.3	-43.9	177.6	-59.1	0	0	0	0	111.4	Q163 T165 S170 A171	Q163-T167 VanDerWaalsContact O-CB 3.22Å; Q163-T167 WeakPolarHBondContact O-CB 3.03Å; Q163-T167 PolarHBondContact O-N 3.21Å; Q163-T167 PolarHBondContact O-OG1 3.47Å; T165-T167 PolarHBondContact O-N 3.15Å; T167-S170 PolarHBondContact O-N 3.08Å; T167-A171 VanDerWaalsContact O-CB 3.32Å; T167-A171 WeakPolarHBondContact O-CB 3.44Å; T167-A171 PolarHBondContact O-N 2.89Å
168	K	94.9	Very high	94.4	Very high	137 Å²	137	100.1 Å²	100.1	60%	0.596	52%	0.52	S	S	*	.	H	α-helix	trans	-62.1	-45.2	176.3	-77.8	177.9	178.9	179.4	0	111.8	L164 T165 A171 K172	L164-K168 HydrophobicContact CG-CD 4.42Å; L164-K168 WeakPolarHBondContact O-CB 3.47Å; L164-K168 VanDerWaalsContact O-CG 3.32Å; L164-K168 WeakPolarHBondContact O-CG 3.33Å; L164-K168 PolarHBondContact O-N 3.36Å; T165-K168 PolarHBondContact O-N 2.94Å; K168-A171 PolarHBondContact O-N 3.49Å; K168-K172 PolarHBondContact O-N 3.46Å
169	S	94.1	Very high	94.2	Very high	82 Å²	82	95.8 Å²	95.8	57%	0.573	51%	0.507	S	S	*	.	H	α-helix	trans	-61.2	-47.9	176.5	-176	0	0	0	0	111.1	T165 E166 A171 K172 G173	T165-S169 WeakPolarHBondContact O-CB 3.49Å; T165-S169 PolarHBondContact O-N 3.29Å; E166-S169 PolarHBondContact O-N 3.49Å; S169-A171 PolarHBondContact O-N 2.96Å; S169-K172 WeakPolarHBondContact O-CB 3.43Å; S169-K172 PolarHBondContact O-N 3.1Å; S169-K172 VanDerWaalsContact O-N 3.13Å; S169-G173 PolarHBondContact O-N 3.01Å
170	S	91.3	Very high	94	Very high	71 Å²	71	97.1 Å²	97.1	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-59.3	-44.8	177	-59.9	0	0	0	0	111.7	E166 T167 K172 G173 L174	E166-S170 VanDerWaalsContact O-CB 3.27Å; E166-S170 WeakPolarHBondContact O-CB 3.2Å; E166-S170 PolarHBondContact O-N 2.94Å; E166-S170 PolarHBondContact O-OG 3.5Å; T167-S170 PolarHBondContact O-N 3.08Å; S170-K172 VanDerWaalsContact C-N 3.32Å; S170-K172 PolarHBondContact O-N 3.16Å; S170-G173 PolarHBondContact O-N 3.36Å; S170-L174 WeakPolarHBondContact O-CB 3.46Å; S170-L174 VanDerWaalsContact O-CG 3.3Å; S170-L174 WeakPolarHBondContact O-CG 3.48Å; S170-L174 PolarHBondContact O-N 3.34Å
171	A	93.4	Very high	93.6	Very high	32 Å²	32	94.8 Å²	94.8	26%	0.264	51%	0.506	S	S	.	.	H	α-helix	trans	-65.5	-33	177.4	0	0	0	0	0	112.8	T167 K168 S169 R175	T167-A171 VanDerWaalsContact O-CB 3.32Å; T167-A171 WeakPolarHBondContact O-CB 3.44Å; T167-A171 PolarHBondContact O-N 2.89Å; K168-A171 PolarHBondContact O-N 3.49Å; S169-A171 PolarHBondContact O-N 2.96Å; A171-R175 VanDerWaalsContact O-CG 3.32Å; A171-R175 WeakPolarHBondContact O-CG 3.33Å; A171-R175 PolarHBondContact O-N 3.4Å; A171-R175 VanDerWaalsContact O-N 3.13Å; A171-R175 PolarHBondContact O-NH1 2.94Å
172	K	93.9	Very high	93.4	Very high	163 Å²	163	94.9 Å²	94.9	71%	0.709	51%	0.505	S	S	*	.	H	α-helix	trans	-68.9	-45.7	172.9	-174.7	-177.9	177.6	-175.9	0	111	K168 S169 S170 R175 A176	K168-K172 PolarHBondContact O-N 3.46Å; S169-K172 WeakPolarHBondContact O-CB 3.43Å; S169-K172 PolarHBondContact O-N 3.1Å; S169-K172 VanDerWaalsContact O-N 3.13Å; S170-K172 VanDerWaalsContact C-N 3.32Å; S170-K172 PolarHBondContact O-N 3.16Å; K172-R175 PolarHBondContact O-N 3.02Å; K172-A176 PolarHBondContact O-N 2.71Å; K172-A176 VanDerWaalsContact O-N 3.07Å
173	G	92.1	Very high	93.2	Very high	36 Å²	36	92.5 Å²	92.5	37%	0.371	50%	0.501	S	S	.	.	H	α-helix	trans	-58.7	-47.9	175.5	0	0	0	0	0	112.1	S169 S170 R175 A176 T177	S169-G173 PolarHBondContact O-N 3.01Å; S170-G173 PolarHBondContact O-N 3.36Å; G173-R175 VanDerWaalsContact C-N 3.34Å; G173-R175 PolarHBondContact O-N 2.89Å; G173-A176 WeakPolarHBondContact O-CB 3.39Å; G173-A176 PolarHBondContact O-N 2.98Å; G173-A176 VanDerWaalsContact O-N 3.12Å; G173-T177 PolarHBondContact O-N 2.79Å; G173-T177 PolarHBondContact O-OG1 2.99Å
174	L	91.3	Very high	92.9	Very high	110 Å²	110	93 Å²	93	58%	0.576	50%	0.499	S	S	*	.	H	α-helix	trans	-60.1	-41.5	176.7	-72.4	172.1	0	0	0	112.4	S170 A176 T177 I178	S170-L174 WeakPolarHBondContact O-CB 3.46Å; S170-L174 VanDerWaalsContact O-CG 3.3Å; S170-L174 WeakPolarHBondContact O-CG 3.48Å; S170-L174 PolarHBondContact O-N 3.34Å; L174-A176 VanDerWaalsContact C-N 3.32Å; L174-A176 PolarHBondContact O-N 3.38Å; L174-T177 PolarHBondContact O-N 3.46Å; L174-I178 WeakPolarHBondContact O-CB 3.31Å; L174-I178 VanDerWaalsContact O-CG1 3.23Å; L174-I178 WeakPolarHBondContact O-CG1 3.08Å; L174-I178 PolarHBondContact O-N 3.43Å
175	R	94.1	Very high	92.6	Very high	182 Å²	182	91.4 Å²	91.4	69%	0.687	49%	0.49	S	S	*	.	H	α-helix	trans	-60	-42.8	174.5	-79.4	-177.8	-175.4	95.1	-5	112	A171 K172 G173 G179	A171-R175 VanDerWaalsContact O-CG 3.32Å; A171-R175 WeakPolarHBondContact O-CG 3.33Å; A171-R175 PolarHBondContact O-N 3.4Å; A171-R175 VanDerWaalsContact O-N 3.13Å; A171-R175 PolarHBondContact O-NH1 2.94Å; K172-R175 PolarHBondContact O-N 3.02Å; G173-R175 VanDerWaalsContact C-N 3.34Å; G173-R175 PolarHBondContact O-N 2.89Å; R175-G179 PolarHBondContact O-N 3.47Å
176	A	92.8	Very high	92.5	Very high	48 Å²	48	91.8 Å²	91.8	40%	0.397	49%	0.486	S	S	.	.	H	α-helix	trans	-64	-48.6	176.9	0	0	0	0	0	111.3	K172 G173 L174 I178 G179 E180	K172-A176 PolarHBondContact O-N 2.71Å; K172-A176 VanDerWaalsContact O-N 3.07Å; G173-A176 WeakPolarHBondContact O-CB 3.39Å; G173-A176 PolarHBondContact O-N 2.98Å; G173-A176 VanDerWaalsContact O-N 3.12Å; L174-A176 VanDerWaalsContact C-N 3.32Å; L174-A176 PolarHBondContact O-N 3.38Å; A176-I178 VanDerWaalsContact C-N 3.34Å; A176-I178 PolarHBondContact O-N 3.28Å; A176-G179 WeakPolarHBondContact O-CA 3.45Å; A176-G179 PolarHBondContact O-N 2.71Å; A176-G179 VanDerWaalsContact O-N 3.09Å; A176-E180 WeakPolarHBondContact O-CG 3.43Å; A176-E180 PolarHBondContact O-N 3.18Å
177	T	89.8	Confident	92.4	Very high	88 Å²	88	93.1 Å²	93.1	54%	0.54	49%	0.487	S	S	.	.	H	α-helix	trans	-59.5	-42.2	177.9	-57	0	0	0	0	112.4	G173 L174 A181	G173-T177 PolarHBondContact O-N 2.79Å; G173-T177 PolarHBondContact O-OG1 2.99Å; L174-T177 PolarHBondContact O-N 3.46Å; T177-A181 WeakPolarHBondContact O-CB 3.32Å; T177-A181 PolarHBondContact O-N 2.8Å
178	I	91.7	Very high	92.3	Very high	101 Å²	101	89.8 Å²	89.8	52%	0.518	47%	0.465	S	S	.	.	H	α-helix	trans	-63.1	-46.8	174.5	-68.1	165.8	0	0	0	109.8	L174 A176 E180 A181 F182	L174-I178 WeakPolarHBondContact O-CB 3.31Å; L174-I178 VanDerWaalsContact O-CG1 3.23Å; L174-I178 WeakPolarHBondContact O-CG1 3.08Å; L174-I178 PolarHBondContact O-N 3.43Å; A176-I178 VanDerWaalsContact C-N 3.34Å; A176-I178 PolarHBondContact O-N 3.28Å; I178-E180 PolarHBondContact O-N 3.41Å; I178-A181 PolarHBondContact O-N 2.8Å; I178-F182 HydrophobicContact CG2-CD2 3.95Å; I178-F182 HydrophobicContact CG2-CE2 4.04Å; I178-F182 WeakPolarHBondContact O-CD2 3.4Å; I178-F182 PolarHBondContact O-N 2.79Å; I178-F182 VanDerWaalsContact O-N 3.07Å
179	G	93.9	Very high	92.2	Very high	27 Å²	27	87.4 Å²	87.4	28%	0.278	46%	0.459	S	S	.	.	H	α-helix	trans	-55.6	-51.7	177	0	0	0	0	0	112.5	R175 A176 A181 F182 E183	R175-G179 PolarHBondContact O-N 3.47Å; A176-G179 WeakPolarHBondContact O-CA 3.45Å; A176-G179 PolarHBondContact O-N 2.71Å; A176-G179 VanDerWaalsContact O-N 3.09Å; G179-A181 VanDerWaalsContact C-N 3.33Å; G179-A181 PolarHBondContact O-N 3.39Å; G179-F182 PolarHBondContact O-N 3.12Å; G179-E183 WeakPolarHBondContact O-CB 2.95Å; G179-E183 WeakPolarHBondContact O-CG 3.1Å; G179-E183 PolarHBondContact O-N 3.05Å
180	E	91.8	Very high	92.3	Very high	126 Å²	126	90.1 Å²	90.1	59%	0.589	46%	0.456	S	S	*	.	H	α-helix	trans	-59	-41.3	179.1	-72.7	170.8	-169.3	0	0	112.5	A176 I178 E183 R184	A176-E180 WeakPolarHBondContact O-CG 3.43Å; A176-E180 PolarHBondContact O-N 3.18Å; I178-E180 PolarHBondContact O-N 3.41Å; E180-E183 PolarHBondContact O-N 2.88Å; E180-R184 WeakPolarHBondContact O-CB 3.44Å; E180-R184 PolarHBondContact O-N 3.42Å
181	A	89.9	Confident	92.3	Very high	52 Å²	52	92.3 Å²	92.3	43%	0.43	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-46.5	177	0	0	0	0	0	111.6	T177 I178 G179 R184 L185	T177-A181 WeakPolarHBondContact O-CB 3.32Å; T177-A181 PolarHBondContact O-N 2.8Å; I178-A181 PolarHBondContact O-N 2.8Å; G179-A181 VanDerWaalsContact C-N 3.33Å; G179-A181 PolarHBondContact O-N 3.39Å; A181-R184 PolarHBondContact O-N 2.83Å; A181-L185 WeakPolarHBondContact O-CG 2.8Å; A181-L185 PolarHBondContact O-N 2.85Å
182	F	92.3	Very high	92.2	Very high	128 Å²	128	94.8 Å²	94.8	56%	0.561	46%	0.461	S	S	*	.	H	α-helix	trans	-68.2	-40.8	177.8	-87.1	-98.6	0	0	0	112.4	I178 G179 R184 L185 Q186	I178-F182 HydrophobicContact CG2-CD2 3.95Å; I178-F182 HydrophobicContact CG2-CE2 4.04Å; I178-F182 WeakPolarHBondContact O-CD2 3.4Å; I178-F182 PolarHBondContact O-N 2.79Å; I178-F182 VanDerWaalsContact O-N 3.07Å; G179-F182 PolarHBondContact O-N 3.12Å; F182-R184 VanDerWaalsContact C-N 3.29Å; F182-R184 PolarHBondContact O-N 2.97Å; F182-L185 PolarHBondContact O-N 2.87Å; F182-Q186 WeakPolarHBondContact O-CB 3.45Å; F182-Q186 VanDerWaalsContact O-CG 3.28Å; F182-Q186 WeakPolarHBondContact O-CG 3.47Å; F182-Q186 PolarHBondContact O-N 2.89Å
183	E	93.3	Very high	92.2	Very high	106 Å²	106	93 Å²	93	50%	0.495	46%	0.455	S	S	.	.	H	α-helix	trans	-60.7	-39.7	177	-78.2	178.7	-170.4	0	0	112.1	G179 E180 Q186 R187	G179-E183 WeakPolarHBondContact O-CB 2.95Å; G179-E183 WeakPolarHBondContact O-CG 3.1Å; G179-E183 PolarHBondContact O-N 3.05Å; E180-E183 PolarHBondContact O-N 2.88Å; E183-Q186 PolarHBondContact O-N 2.99Å; E183-R187 VanDerWaalsContact O-CB 3.29Å; E183-R187 WeakPolarHBondContact O-CB 3.48Å; E183-R187 PolarHBondContact O-N 2.82Å
184	R	90.3	Very high	92.3	Very high	102 Å²	102	97.4 Å²	97.4	39%	0.385	46%	0.464	S	S	.	.	H	α-helix	trans	-60.8	-48.4	174	170.9	173.2	152.9	173.5	-2.4	111.7	E180 A181 F182 Q186 R187 F188 D289	E180-R184 WeakPolarHBondContact O-CB 3.44Å; E180-R184 PolarHBondContact O-N 3.42Å; A181-R184 PolarHBondContact O-N 2.83Å; F182-R184 VanDerWaalsContact C-N 3.29Å; F182-R184 PolarHBondContact O-N 2.97Å; R184-Q186 PolarHBondContact O-N 2.9Å; R184-R187 PolarHBondContact O-N 2.78Å; R184-F188 PolarHBondContact O-N 3.25Å; R184-D289 PolarHBondContact NE-O 3.22Å; R184-D289 VanDerWaalsContact NH2-C 3.26Å; R184-D289 PolarHBondContact NH2-O 3.04Å
185	L	90.8	Very high	92.4	Very high	63 Å²	63	94.2 Å²	94.2	33%	0.33	45%	0.454	S	S	.	.	H	α-helix	trans	-62.1	-43.6	177.3	-65.4	177.2	0	0	0	112	A181 F182 R187 F188 L189 L286	A181-L185 WeakPolarHBondContact O-CG 2.8Å; A181-L185 PolarHBondContact O-N 2.85Å; F182-L185 PolarHBondContact O-N 2.87Å; L185-R187 VanDerWaalsContact C-N 3.34Å; L185-R187 PolarHBondContact O-N 3.37Å; L185-F188 WeakPolarHBondContact O-CB 3.27Å; L185-F188 PolarHBondContact O-N 3.3Å; L185-L189 WeakPolarHBondContact O-CG 3.25Å; L185-L189 PolarHBondContact O-N 3.17Å; L185-L286 HydrophobicContact CD2-CD1 3.41Å; L185-L286 VanDerWaalsContact CD2-CD1 3.41Å; L185-L286 HydrophobicContact CD2-CD2 4.25Å; L185-L286 HydrophobicContact CD2-CG 4.26Å
186	Q	92.8	Very high	92.3	Very high	97 Å²	97	87.5 Å²	87.5	45%	0.453	43%	0.431	S	S	.	.	H	α-helix	trans	-64.8	-38.9	177.5	-71.6	176.6	-6.5	0	0	112.3	F182 E183 R184 L189 R190	F182-Q186 WeakPolarHBondContact O-CB 3.45Å; F182-Q186 VanDerWaalsContact O-CG 3.28Å; F182-Q186 WeakPolarHBondContact O-CG 3.47Å; F182-Q186 PolarHBondContact O-N 2.89Å; E183-Q186 PolarHBondContact O-N 2.99Å; R184-Q186 PolarHBondContact O-N 2.9Å; Q186-L189 PolarHBondContact O-N 2.9Å; Q186-R190 WeakPolarHBondContact O-CG 3.44Å; Q186-R190 PolarHBondContact O-N 2.75Å
187	R	93.1	Very high	92.3	Very high	114 Å²	114	89.3 Å²	89.3	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-61.9	-49.5	175.6	-172.8	-175.1	-52.2	111.4	6.1	110.5	E183 R184 L185 L189 R190 E191	E183-R187 VanDerWaalsContact O-CB 3.29Å; E183-R187 WeakPolarHBondContact O-CB 3.48Å; E183-R187 PolarHBondContact O-N 2.82Å; R184-R187 PolarHBondContact O-N 2.78Å; L185-R187 VanDerWaalsContact C-N 3.34Å; L185-R187 PolarHBondContact O-N 3.37Å; R187-L189 VanDerWaalsContact C-N 3.33Å; R187-L189 PolarHBondContact O-N 2.85Å; R187-R190 PolarHBondContact O-N 2.99Å; R187-E191 WeakPolarHBondContact CD-OE1 2.92Å; R187-E191 HydrophobicContact CG-CG 4.41Å; R187-E191 VanDerWaalsContact CG-OE1 3.24Å; R187-E191 WeakPolarHBondContact CG-OE1 3.47Å; R187-E191 WeakPolarHBondContact O-CG 3.48Å; R187-E191 PolarHBondContact O-N 3.24Å
188	F	91.9	Very high	92.7	Very high	21 Å²	21	89.5 Å²	89.5	9%	0.092	43%	0.428	C	S	.	.	H	α-helix	trans	-52.5	-49.7	174.9	166.4	-97.3	0	0	0	112.1	R184 L185 R190 E191 R192 I282 S285 L286 D289	R184-F188 PolarHBondContact O-N 3.25Å; L185-F188 WeakPolarHBondContact O-CB 3.27Å; L185-F188 PolarHBondContact O-N 3.3Å; F188-R190 PolarHBondContact O-N 2.97Å; F188-E191 PolarHBondContact O-N 2.83Å; F188-R192 VanDerWaalsContact O-CB 3.31Å; F188-R192 WeakPolarHBondContact O-CB 3.49Å; F188-R192 PolarHBondContact O-N 2.82Å; F188-I282 HydrophobicContact CE1-CG2 3.97Å; F188-S285 WeakPolarHBondContact CZ-OG 3.47Å; F188-L286 HydrophobicContact CD1-CB 4.44Å; F188-L286 HydrophobicContact CD1-CD1 3.45Å; F188-L286 VanDerWaalsContact CD1-CD1 3.45Å; F188-L286 HydrophobicContact CE1-CB 3.72Å; F188-L286 HydrophobicContact CE1-CD1 3.62Å; F188-L286 HydrophobicContact CE1-CG 4.25Å; F188-L286 HydrophobicContact CG-CD1 4.05Å; F188-L286 HydrophobicContact CZ-CB 4.01Å; F188-L286 HydrophobicContact CZ-CD1 4.33Å; F188-D289 HydrophobicContact CD2-CB 4.17Å; F188-D289 WeakPolarHBondContact CD2-OD2 3.44Å; F188-D289 WeakPolarHBondContact CE2-OD2 3.44Å
189	L	92.4	Very high	92.8	Very high	87 Å²	87	88.8 Å²	88.8	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-61.3	-42.7	179.8	-69.8	174.7	0	0	0	112.3	L185 Q186 R187 Q193 I282	L185-L189 WeakPolarHBondContact O-CG 3.25Å; L185-L189 PolarHBondContact O-N 3.17Å; Q186-L189 PolarHBondContact O-N 2.9Å; R187-L189 VanDerWaalsContact C-N 3.33Å; R187-L189 PolarHBondContact O-N 2.85Å; L189-Q193 WeakPolarHBondContact O-CB 3.48Å; L189-Q193 PolarHBondContact O-N 3.3Å; L189-I282 HydrophobicContact CD2-CG2 3.51Å
190	R	94.5	Very high	92.8	Very high	138 Å²	138	90.1 Å²	90.1	52%	0.521	42%	0.423	S	S	.	.	H	α-helix	trans	-64.5	-45.6	177.5	-75.3	-173.8	-64.9	-97.3	-1.6	112.2	Q186 R187 F188 Q193 K194	Q186-R190 WeakPolarHBondContact O-CG 3.44Å; Q186-R190 PolarHBondContact O-N 2.75Å; R187-R190 PolarHBondContact O-N 2.99Å; F188-R190 PolarHBondContact O-N 2.97Å; R190-Q193 PolarHBondContact O-N 3.09Å; R190-K194 WeakPolarHBondContact O-CB 3.3Å; R190-K194 PolarHBondContact O-N 2.64Å
191	E	93	Very high	93	Very high	118 Å²	118	90.5 Å²	90.5	55%	0.551	43%	0.425	S	S	*	.	H	α-helix	trans	-64.2	-42.7	179	-73.1	171.4	-178.5	0	0	111.1	R187 F188 K194 A195	R187-E191 WeakPolarHBondContact CD-OE1 2.92Å; R187-E191 HydrophobicContact CG-CG 4.41Å; R187-E191 VanDerWaalsContact CG-OE1 3.24Å; R187-E191 WeakPolarHBondContact CG-OE1 3.47Å; R187-E191 WeakPolarHBondContact O-CG 3.48Å; R187-E191 PolarHBondContact O-N 3.24Å; F188-E191 PolarHBondContact O-N 2.83Å; E191-K194 PolarHBondContact O-N 3.47Å; E191-A195 WeakPolarHBondContact O-CB 3.5Å; E191-A195 PolarHBondContact O-N 2.88Å
192	R	91.1	Very high	93.3	Very high	84 Å²	84	91.6 Å²	91.6	32%	0.317	43%	0.426	S	S	.	.	H	α-helix	trans	-64.2	-44.5	177	-170.7	60.8	170.1	147.6	1.2	112.1	F188 A195 M196 I282	F188-R192 VanDerWaalsContact O-CB 3.31Å; F188-R192 WeakPolarHBondContact O-CB 3.49Å; F188-R192 PolarHBondContact O-N 2.82Å; R192-A195 PolarHBondContact O-N 2.71Å; R192-M196 HydrophobicContact CG-SD 4.48Å; R192-M196 WeakPolarHBondContact O-CG 3.47Å; R192-M196 PolarHBondContact O-N 3.07Å; R192-M196 VanDerWaalsContact O-N 3.08Å; R192-I282 HydrophobicContact CG-CG1 4.32Å
193	Q	92.8	Very high	93.3	Very high	125 Å²	125	86 Å²	86	58%	0.584	40%	0.402	S	S	*	.	H	α-helix	trans	-59.8	-47.2	175.5	-178.8	-177.5	6.8	0	0	111.1	L189 R190 M196 L197	L189-Q193 WeakPolarHBondContact O-CB 3.48Å; L189-Q193 PolarHBondContact O-N 3.3Å; R190-Q193 PolarHBondContact O-N 3.09Å; Q193-M196 PolarHBondContact O-N 3.3Å; Q193-L197 HydrophobicContact CG-CD1 4.21Å; Q193-L197 WeakPolarHBondContact O-CG 3.28Å; Q193-L197 PolarHBondContact O-N 2.99Å; Q193-L197 VanDerWaalsContact O-N 3.1Å
194	K	95.4	Very high	93.4	Very high	128 Å²	128	83.4 Å²	83.4	56%	0.557	39%	0.394	S	S	*	.	H	α-helix	trans	-58.9	-50.5	178.6	179.8	178.3	170.2	-178.1	0	111.4	R190 E191 M196 L197 E198	R190-K194 WeakPolarHBondContact O-CB 3.3Å; R190-K194 PolarHBondContact O-N 2.64Å; E191-K194 PolarHBondContact O-N 3.47Å; K194-M196 VanDerWaalsContact C-N 3.3Å; K194-M196 PolarHBondContact O-N 3.49Å; K194-L197 PolarHBondContact O-N 3.37Å; K194-L197 VanDerWaalsContact O-N 3.16Å; K194-E198 WeakPolarHBondContact CE-OE1 3.28Å; K194-E198 HydrophobicContact CG-CG 4.43Å; K194-E198 IonicContact NZ-OE1 3.37Å; K194-E198 WeakPolarHBondContact O-CG 3.35Å; K194-E198 PolarHBondContact O-N 3.17Å
195	A	92.8	Very high	93.7	Very high	43 Å²	43	81.4 Å²	81.4	36%	0.355	40%	0.399	S	S	.	.	H	α-helix	trans	-59.5	-40.2	-180	0	0	0	0	0	112.6	E191 R192 E198 E199	E191-A195 WeakPolarHBondContact O-CB 3.5Å; E191-A195 PolarHBondContact O-N 2.88Å; R192-A195 PolarHBondContact O-N 2.71Å; A195-E198 PolarHBondContact O-N 2.93Å; A195-E199 WeakPolarHBondContact O-CB 3.31Å; A195-E199 PolarHBondContact O-N 3.44Å
196	M	91.5	Very high	93.9	Very high	41 Å²	41	85.2 Å²	85.2	20%	0.202	41%	0.409	C	S	.	.	H	α-helix	trans	-65.7	-37.9	177.1	-74	-178.1	70.2	0	0	113	R192 Q193 K194 L200 L278	R192-M196 HydrophobicContact CG-SD 4.48Å; R192-M196 WeakPolarHBondContact O-CG 3.47Å; R192-M196 PolarHBondContact O-N 3.07Å; R192-M196 VanDerWaalsContact O-N 3.08Å; Q193-M196 PolarHBondContact O-N 3.3Å; K194-M196 VanDerWaalsContact C-N 3.3Å; K194-M196 PolarHBondContact O-N 3.49Å; M196-L200 PolarHBondContact O-N 3.4Å; M196-L200 VanDerWaalsContact O-N 3.12Å; M196-L278 HydrophobicContact CE-CD2 3.4Å
197	L	94.3	Very high	93.9	Very high	87 Å²	87	82.7 Å²	82.7	46%	0.455	40%	0.4	S	S	.	.	H	α-helix	trans	-70.1	-42.6	176.7	-70.2	172.5	0	0	0	111.6	Q193 K194 E199 L200 E201	Q193-L197 HydrophobicContact CG-CD1 4.21Å; Q193-L197 WeakPolarHBondContact O-CG 3.28Å; Q193-L197 PolarHBondContact O-N 2.99Å; Q193-L197 VanDerWaalsContact O-N 3.1Å; K194-L197 PolarHBondContact O-N 3.37Å; K194-L197 VanDerWaalsContact O-N 3.16Å; L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 3.02Å; L197-L200 WeakPolarHBondContact O-CB 3.33Å; L197-L200 PolarHBondContact O-N 2.91Å; L197-E201 WeakPolarHBondContact O-CG 3.39Å; L197-E201 PolarHBondContact O-N 2.95Å
198	E	96.3	Very high	94	Very high	92 Å²	92	81.6 Å²	81.6	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-61.5	-38.8	175.8	-71.8	174.8	163.6	0	0	111.7	K194 A195 E201 T202	K194-E198 WeakPolarHBondContact CE-OE1 3.28Å; K194-E198 HydrophobicContact CG-CG 4.43Å; K194-E198 IonicContact NZ-OE1 3.37Å; K194-E198 WeakPolarHBondContact O-CG 3.35Å; K194-E198 PolarHBondContact O-N 3.17Å; A195-E198 PolarHBondContact O-N 2.93Å; E198-E201 PolarHBondContact O-N 3.46Å; E198-T202 WeakPolarHBondContact O-CB 3.02Å; E198-T202 PolarHBondContact O-N 3.06Å; E198-T202 PolarHBondContact O-OG1 2.96Å
199	E	94	Very high	94.2	Very high	86 Å²	86	84 Å²	84	40%	0.402	42%	0.421	S	S	.	.	H	α-helix	trans	-63.9	-43.3	174.6	-167.3	-179.8	178.9	0	0	111.7	A195 L197 T202 D203 K273 Y274	A195-E199 WeakPolarHBondContact O-CB 3.31Å; A195-E199 PolarHBondContact O-N 3.44Å; L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 3.02Å; E199-T202 PolarHBondContact O-N 3.35Å; E199-D203 PolarHBondContact O-N 2.88Å; E199-K273 WeakPolarHBondContact OE1-CE 3.28Å; E199-K273 IonicContact OE1-NZ 2.67Å; E199-K273 PolarHBondContact OE1-NZ 3.41Å; E199-Y274 PolarHBondContact O-OH 3.34Å
200	L	94.4	Very high	94.3	Very high	55 Å²	55	82.8 Å²	82.8	29%	0.288	42%	0.415	S	S	.	.	H	α-helix	trans	-63.1	-44.8	176.5	176.8	64.9	0	0	0	112	M196 L197 T202 D203 T204 F269 Y274	M196-L200 PolarHBondContact O-N 3.4Å; M196-L200 VanDerWaalsContact O-N 3.12Å; L197-L200 WeakPolarHBondContact O-CB 3.33Å; L197-L200 PolarHBondContact O-N 2.91Å; L200-T202 VanDerWaalsContact C-N 3.29Å; L200-T202 PolarHBondContact O-N 3.17Å; L200-D203 PolarHBondContact O-N 3.22Å; L200-T204 VanDerWaalsContact O-CB 3.31Å; L200-T204 WeakPolarHBondContact O-CB 3.26Å; L200-T204 PolarHBondContact O-N 3.04Å; L200-T204 PolarHBondContact O-OG1 3.07Å; L200-F269 HydrophobicContact CD1-CE1 3.9Å; L200-F269 HydrophobicContact CD1-CZ 3.81Å; L200-Y274 WeakPolarHBondContact CA-OH 3.36Å; L200-Y274 HydrophobicContact CB-CD1 4.47Å; L200-Y274 HydrophobicContact CB-CE1 3.97Å; L200-Y274 HydrophobicContact CD1-CD1 4.43Å; L200-Y274 HydrophobicContact CD1-CD2 3.73Å; L200-Y274 HydrophobicContact CD1-CE1 4.31Å; L200-Y274 HydrophobicContact CD1-CE2 3.59Å; L200-Y274 HydrophobicContact CD1-CG 4.16Å
201	E	95.8	Very high	94.3	Very high	133 Å²	133	80 Å²	80	62%	0.621	41%	0.41	S	S	*	.	H	α-helix	trans	-60.1	-42	176.3	-74.1	175.3	179.8	0	0	110.9	L197 E198 T204 A205	L197-E201 WeakPolarHBondContact O-CG 3.39Å; L197-E201 PolarHBondContact O-N 2.95Å; E198-E201 PolarHBondContact O-N 3.46Å; E201-T204 PolarHBondContact O-N 2.93Å; E201-A205 WeakPolarHBondContact O-CB 3.26Å; E201-A205 PolarHBondContact O-N 2.88Å
202	T	95.5	Very high	94.4	Very high	76 Å²	76	79.9 Å²	79.9	47%	0.466	41%	0.409	S	S	.	.	H	α-helix	trans	-66.6	-43.7	178.4	-55.4	0	0	0	0	112.3	E198 E199 L200 R206	E198-T202 WeakPolarHBondContact O-CB 3.02Å; E198-T202 PolarHBondContact O-N 3.06Å; E198-T202 PolarHBondContact O-OG1 2.96Å; E199-T202 PolarHBondContact O-N 3.35Å; L200-T202 VanDerWaalsContact C-N 3.29Å; L200-T202 PolarHBondContact O-N 3.17Å; T202-R206 WeakPolarHBondContact O-CG 3.33Å; T202-R206 PolarHBondContact O-N 3.14Å; T202-R206 VanDerWaalsContact O-N 3.14Å; T202-R206 PolarHBondContact O-NE 3.09Å
203	D	94.1	Very high	94.6	Very high	11 Å²	11	81.4 Å²	81.4	6%	0.059	42%	0.42	C	S	.	.	H	α-helix	trans	-62.5	-44.8	174.1	-85.1	-16.2	0	0	0	110.7	E199 L200 R206 T207 F269 K273 Y274	E199-D203 PolarHBondContact O-N 2.88Å; L200-D203 PolarHBondContact O-N 3.22Å; D203-R206 PolarHBondContact O-N 3.48Å; D203-R206 IonicContact OD1-CZ 2.65Å; D203-R206 IonicContact OD1-NH1 3.23Å; D203-R206 PolarHBondContact OD1-NH1 2.99Å; D203-R206 IonicContact OD1-NH2 3.81Å; D203-R206 PolarHBondContact OD1-NH2 3.22Å; D203-T207 PolarHBondContact O-N 3.06Å; D203-T207 PolarHBondContact O-OG1 3.14Å; D203-F269 HydrophobicContact CB-CE2 4.18Å; D203-F269 HydrophobicContact CB-CZ 4.16Å; D203-K273 IonicContact OD1-NZ 2.97Å; D203-K273 IonicContact OD2-NZ 2.59Å; D203-K273 PolarHBondContact OD2-NZ 2.74Å; D203-Y274 PolarHBondContact OD2-OH 3.24Å
204	T	94.6	Very high	94.7	Very high	51 Å²	51	77.8 Å²	77.8	31%	0.313	40%	0.402	S	S	.	.	H	α-helix	trans	-60.9	-48.8	179.5	-56.4	0	0	0	0	111.2	L200 E201 R206 T207 L208	L200-T204 VanDerWaalsContact O-CB 3.31Å; L200-T204 WeakPolarHBondContact O-CB 3.26Å; L200-T204 PolarHBondContact O-N 3.04Å; L200-T204 PolarHBondContact O-OG1 3.07Å; E201-T204 PolarHBondContact O-N 2.93Å; T204-R206 VanDerWaalsContact C-N 3.33Å; T204-R206 PolarHBondContact O-N 3.42Å; T204-T207 PolarHBondContact O-N 2.97Å; T204-L208 HydrophobicContact CG2-CD1 3.92Å; T204-L208 HydrophobicContact CG2-CG 4.31Å; T204-L208 WeakPolarHBondContact O-CB 3.21Å; T204-L208 VanDerWaalsContact O-CG 3.31Å; T204-L208 WeakPolarHBondContact O-CG 3.3Å; T204-L208 PolarHBondContact O-N 2.9Å
205	A	96.3	Very high	94.7	Very high	59 Å²	59	76.5 Å²	76.5	49%	0.488	40%	0.4	S	S	.	.	H	α-helix	trans	-61.1	-40.6	178.8	0	0	0	0	0	112.3	E201 S209	E201-A205 WeakPolarHBondContact O-CB 3.26Å; E201-A205 PolarHBondContact O-N 2.88Å; A205-S209 WeakPolarHBondContact O-CB 3.45Å; A205-S209 PolarHBondContact O-N 3.06Å
206	R	94.6	Very high	94.8	Very high	144 Å²	144	80.7 Å²	80.7	54%	0.543	41%	0.412	S	S	.	.	H	α-helix	trans	-62.6	-48.6	175.6	-82.7	-173.9	-84.5	122.4	-7.1	112.2	T202 D203 T204 S209 D210	T202-R206 WeakPolarHBondContact O-CG 3.33Å; T202-R206 PolarHBondContact O-N 3.14Å; T202-R206 VanDerWaalsContact O-N 3.14Å; T202-R206 PolarHBondContact O-NE 3.09Å; D203-R206 PolarHBondContact O-N 3.48Å; D203-R206 IonicContact OD1-CZ 2.65Å; D203-R206 IonicContact OD1-NH1 3.23Å; D203-R206 PolarHBondContact OD1-NH1 2.99Å; D203-R206 IonicContact OD1-NH2 3.81Å; D203-R206 PolarHBondContact OD1-NH2 3.22Å; T204-R206 VanDerWaalsContact C-N 3.33Å; T204-R206 PolarHBondContact O-N 3.42Å; R206-S209 PolarHBondContact O-N 3.37Å; R206-D210 PolarHBondContact O-N 3.1Å; R206-D210 VanDerWaalsContact O-N 3.08Å
207	T	93.8	Very high	95	Very high	43 Å²	43	83.5 Å²	83.5	26%	0.264	42%	0.421	S	S	.	.	H	α-helix	trans	-64.5	-42.8	179.2	-60.4	0	0	0	0	111.7	D203 T204 D210 I211 F269	D203-T207 PolarHBondContact O-N 3.06Å; D203-T207 PolarHBondContact O-OG1 3.14Å; T204-T207 PolarHBondContact O-N 2.97Å; T207-D210 PolarHBondContact O-N 3.37Å; T207-I211 HydrophobicContact CG2-CD1 3.84Å; T207-I211 HydrophobicContact CG2-CG1 4.46Å; T207-I211 VanDerWaalsContact O-CG1 3.3Å; T207-I211 WeakPolarHBondContact O-CG1 3.3Å; T207-I211 PolarHBondContact O-N 2.82Å; T207-F269 HydrophobicContact CG2-CD2 4.18Å
208	L	95.4	Very high	95	Very high	92 Å²	92	81.3 Å²	81.3	48%	0.482	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-46	176.7	-72.6	176.1	0	0	0	111.6	T204 D210 I211 E212	T204-L208 HydrophobicContact CG2-CD1 3.92Å; T204-L208 HydrophobicContact CG2-CG 4.31Å; T204-L208 WeakPolarHBondContact O-CB 3.21Å; T204-L208 VanDerWaalsContact O-CG 3.31Å; T204-L208 WeakPolarHBondContact O-CG 3.3Å; T204-L208 PolarHBondContact O-N 2.9Å; L208-D210 VanDerWaalsContact C-N 3.34Å; L208-D210 PolarHBondContact O-N 2.92Å; L208-I211 PolarHBondContact O-N 3.42Å; L208-E212 WeakPolarHBondContact O-CB 3.44Å; L208-E212 WeakPolarHBondContact O-CG 3.34Å; L208-E212 PolarHBondContact O-N 2.87Å
209	S	96.1	Very high	95	Very high	70 Å²	70	79.3 Å²	79.3	49%	0.49	40%	0.404	S	S	.	.	H	α-helix	trans	-61.4	-40.8	178.9	-176.1	0	0	0	0	112.6	A205 R206 E212 H213	A205-S209 WeakPolarHBondContact O-CB 3.45Å; A205-S209 PolarHBondContact O-N 3.06Å; R206-S209 PolarHBondContact O-N 3.37Å; S209-E212 PolarHBondContact O-N 3Å; S209-H213 WeakPolarHBondContact O-CB 3.47Å; S209-H213 PolarHBondContact O-N 2.9Å
210	D	94.1	Very high	95	Very high	63 Å²	63	79.1 Å²	79.1	34%	0.337	40%	0.403	S	S	.	.	H	α-helix	trans	-65	-43.4	175.3	176	63	0	0	0	112.1	R206 T207 L208 H213 K214	R206-D210 PolarHBondContact O-N 3.1Å; R206-D210 VanDerWaalsContact O-N 3.08Å; T207-D210 PolarHBondContact O-N 3.37Å; L208-D210 VanDerWaalsContact C-N 3.34Å; L208-D210 PolarHBondContact O-N 2.92Å; D210-H213 PolarHBondContact O-N 3.13Å; D210-K214 WeakPolarHBondContact O-CB 3.26Å; D210-K214 WeakPolarHBondContact O-CG 3.21Å; D210-K214 PolarHBondContact O-N 2.55Å; D210-K214 WeakPolarHBondContact OD1-CE 3.43Å; D210-K214 IonicContact OD1-NZ 3.78Å; D210-K214 WeakPolarHBondContact OD2-CE 3.36Å; D210-K214 IonicContact OD2-NZ 2.92Å; D210-K214 PolarHBondContact OD2-NZ 2.83Å
211	I	94.1	Very high	95	Very high	79 Å²	79	78 Å²	78	41%	0.405	40%	0.397	S	S	.	.	H	α-helix	trans	-61.6	-45.6	175.4	-69.1	169.2	0	0	0	110.8	T207 L208 H213 K214 I215	T207-I211 HydrophobicContact CG2-CD1 3.84Å; T207-I211 HydrophobicContact CG2-CG1 4.46Å; T207-I211 VanDerWaalsContact O-CG1 3.3Å; T207-I211 WeakPolarHBondContact O-CG1 3.3Å; T207-I211 PolarHBondContact O-N 2.82Å; L208-I211 PolarHBondContact O-N 3.42Å; I211-H213 PolarHBondContact O-N 3.36Å; I211-K214 PolarHBondContact O-N 3.31Å; I211-I215 HydrophobicContact CG2-CD1 3.81Å; I211-I215 HydrophobicContact CG2-CG1 4.38Å; I211-I215 VanDerWaalsContact O-CG1 3.32Å; I211-I215 WeakPolarHBondContact O-CG1 3.31Å; I211-I215 PolarHBondContact O-N 2.8Å
212	E	96.1	Very high	95	Very high	115 Å²	115	76.2 Å²	76.2	54%	0.537	39%	0.39	S	S	.	.	H	α-helix	trans	-59.3	-45.2	176.9	-75.3	175.5	169.6	0	0	111.6	L208 S209 I215 Q216	L208-E212 WeakPolarHBondContact O-CB 3.44Å; L208-E212 WeakPolarHBondContact O-CG 3.34Å; L208-E212 PolarHBondContact O-N 2.87Å; S209-E212 PolarHBondContact O-N 3Å; E212-I215 PolarHBondContact O-N 2.84Å; E212-Q216 WeakPolarHBondContact O-CG 3.49Å; E212-Q216 PolarHBondContact O-N 2.91Å
213	H	95.1	Very high	95	Very high	117 Å²	117	78.9 Å²	78.9	54%	0.542	39%	0.392	S	S	.	.	H	α-helix	trans	-63.8	-41.7	176.9	-175.5	-96.8	0	0	0	111.9	S209 D210 I211 Q216 R217	S209-H213 WeakPolarHBondContact O-CB 3.47Å; S209-H213 PolarHBondContact O-N 2.9Å; D210-H213 PolarHBondContact O-N 3.13Å; I211-H213 PolarHBondContact O-N 3.36Å; H213-Q216 PolarHBondContact O-N 2.75Å; H213-R217 WeakPolarHBondContact O-CB 3.2Å; H213-R217 PolarHBondContact O-N 2.84Å
214	K	94.1	Very high	95	Very high	49 Å²	49	80 Å²	80	21%	0.213	40%	0.398	C	S	.	.	H	α-helix	trans	-60.9	-44.5	173.5	-74.5	168.9	176.4	168	0	111.3	D210 I211 R217 F218 E267	D210-K214 WeakPolarHBondContact O-CB 3.26Å; D210-K214 WeakPolarHBondContact O-CG 3.21Å; D210-K214 PolarHBondContact O-N 2.55Å; D210-K214 WeakPolarHBondContact OD1-CE 3.43Å; D210-K214 IonicContact OD1-NZ 3.78Å; D210-K214 WeakPolarHBondContact OD2-CE 3.36Å; D210-K214 IonicContact OD2-NZ 2.92Å; D210-K214 PolarHBondContact OD2-NZ 2.83Å; I211-K214 PolarHBondContact O-N 3.31Å; K214-R217 PolarHBondContact O-N 3Å; K214-F218 VanDerWaalsContact O-CD2 3.26Å; K214-F218 WeakPolarHBondContact O-CD2 3.38Å; K214-F218 PolarHBondContact O-N 3.48Å; K214-E267 IonicContact NZ-OE2 2.69Å
215	I	95.3	Very high	95.1	Very high	101 Å²	101	79.9 Å²	79.9	52%	0.518	40%	0.397	S	S	.	.	H	α-helix	trans	-61	-45.9	176.6	-72.6	169.7	0	0	0	111	I211 E212 F218 S219	I211-I215 HydrophobicContact CG2-CD1 3.81Å; I211-I215 HydrophobicContact CG2-CG1 4.38Å; I211-I215 VanDerWaalsContact O-CG1 3.32Å; I211-I215 WeakPolarHBondContact O-CG1 3.31Å; I211-I215 PolarHBondContact O-N 2.8Å; E212-I215 PolarHBondContact O-N 2.84Å; I215-F218 PolarHBondContact O-N 2.85Å; I215-S219 VanDerWaalsContact O-CB 3.22Å; I215-S219 WeakPolarHBondContact O-CB 3.3Å; I215-S219 PolarHBondContact O-N 3Å; I215-S219 PolarHBondContact O-OG 2.75Å
216	Q	96	Very high	95.1	Very high	130 Å²	130	83.3 Å²	83.3	61%	0.607	40%	0.401	S	S	*	.	H	α-helix	trans	-61.6	-46.4	178.8	-73.6	177.7	4.3	0	0	111.6	E212 H213 S219 Q220	E212-Q216 WeakPolarHBondContact O-CG 3.49Å; E212-Q216 PolarHBondContact O-N 2.91Å; H213-Q216 PolarHBondContact O-N 2.75Å; Q216-S219 PolarHBondContact O-N 3.21Å; Q216-Q220 PolarHBondContact O-N 3.31Å
217	R	94.5	Very high	95.1	Very high	100 Å²	100	81.1 Å²	81.1	38%	0.377	40%	0.397	S	S	.	.	H	α-helix	trans	-57.4	-53.9	176.4	-177.1	178.7	71.3	100.2	-8.5	111.6	H213 K214 S219 Q220 Q221	H213-R217 WeakPolarHBondContact O-CB 3.2Å; H213-R217 PolarHBondContact O-N 2.84Å; K214-R217 PolarHBondContact O-N 3Å; R217-S219 VanDerWaalsContact C-N 3.3Å; R217-S219 PolarHBondContact O-N 3.08Å; R217-Q220 PolarHBondContact O-N 3.06Å; R217-Q221 WeakPolarHBondContact O-CG 3.31Å; R217-Q221 PolarHBondContact O-N 3.37Å
218	F	94.9	Very high	95.2	Very high	42 Å²	42	79.4 Å²	79.4	18%	0.184	39%	0.388	C	S	.	.	H	α-helix	trans	-66.3	-32.4	-179.5	-81.1	-64.5	0	0	0	112.8	K214 I215 Q220 Q221 L222 T262 L264	K214-F218 VanDerWaalsContact O-CD2 3.26Å; K214-F218 WeakPolarHBondContact O-CD2 3.38Å; K214-F218 PolarHBondContact O-N 3.48Å; I215-F218 PolarHBondContact O-N 2.85Å; F218-Q220 VanDerWaalsContact C-N 3.34Å; F218-Q220 PolarHBondContact O-N 3.5Å; F218-Q221 VanDerWaalsContact CD1-OE1 3.26Å; F218-Q221 PolarHBondContact O-N 3.1Å; F218-L222 VanDerWaalsContact O-CB 3.24Å; F218-L222 WeakPolarHBondContact O-CB 3.38Å; F218-L222 PolarHBondContact O-N 3.41Å; F218-T262 HydrophobicContact CE1-CG2 4.12Å; F218-L264 HydrophobicContact CE2-CB 4.05Å; F218-L264 HydrophobicContact CE2-CD1 3.77Å; F218-L264 HydrophobicContact CE2-CG 4.32Å; F218-L264 HydrophobicContact CZ-CB 3.89Å; F218-L264 HydrophobicContact CZ-CD1 4.45Å
219	S	95.9	Very high	95.2	Very high	49 Å²	49	79 Å²	79	34%	0.343	39%	0.385	S	S	.	.	H	α-helix	trans	-64.1	-38.4	173.9	-63.9	0	0	0	0	112.2	I215 Q216 R217 R223	I215-S219 VanDerWaalsContact O-CB 3.22Å; I215-S219 WeakPolarHBondContact O-CB 3.3Å; I215-S219 PolarHBondContact O-N 3Å; I215-S219 PolarHBondContact O-OG 2.75Å; Q216-S219 PolarHBondContact O-N 3.21Å; R217-S219 VanDerWaalsContact C-N 3.3Å; R217-S219 PolarHBondContact O-N 3.08Å; S219-R223 WeakPolarHBondContact O-CG 3.4Å; S219-R223 PolarHBondContact O-N 3.23Å; S219-R223 PolarHBondContact O-NH1 3.3Å
220	Q	94.6	Very high	95.2	Very high	82 Å²	82	77.1 Å²	77.1	38%	0.383	38%	0.377	S	S	.	.	H	α-helix	trans	-68.4	-49.3	173.4	-177.9	59.8	50.6	0	0	111.3	Q216 R217 F218 L222 R223 D224	Q216-Q220 PolarHBondContact O-N 3.31Å; R217-Q220 PolarHBondContact O-N 3.06Å; F218-Q220 VanDerWaalsContact C-N 3.34Å; F218-Q220 PolarHBondContact O-N 3.5Å; Q220-L222 PolarHBondContact O-N 3.5Å; Q220-R223 WeakPolarHBondContact O-CA 3.34Å; Q220-R223 WeakPolarHBondContact O-CB 3.43Å; Q220-R223 PolarHBondContact O-N 3.24Å; Q220-D224 PolarHBondContact NE2-OD1 2.87Å; Q220-D224 PolarHBondContact NE2-OD2 3.45Å; Q220-D224 PolarHBondContact O-N 3.48Å
221	Q	94.5	Very high	95.2	Very high	33 Å²	33	74.4 Å²	74.4	15%	0.154	36%	0.362	C	S	.	.	H	α-helix	trans	-57.1	-39.3	177.7	-69	-178.5	-36.2	0	0	111.8	R217 F218 R223 D224 V225 H260	R217-Q221 WeakPolarHBondContact O-CG 3.31Å; R217-Q221 PolarHBondContact O-N 3.37Å; F218-Q221 VanDerWaalsContact CD1-OE1 3.26Å; F218-Q221 PolarHBondContact O-N 3.1Å; Q221-R223 PolarHBondContact O-N 3.4Å; Q221-D224 PolarHBondContact O-N 2.89Å; Q221-V225 WeakPolarHBondContact O-CB 3.46Å; Q221-V225 VanDerWaalsContact O-CG2 3.27Å; Q221-V225 WeakPolarHBondContact O-CG2 3.29Å; Q221-V225 PolarHBondContact O-N 2.93Å; Q221-H260 HydrophobicContact CB-CB 4.42Å; Q221-H260 HydrophobicContact CG-CB 4.45Å
222	L	95.4	Very high	95.2	Very high	94 Å²	94	74.4 Å²	74.4	49%	0.492	36%	0.363	S	S	.	.	H	α-helix	trans	-64.2	-37.9	175.6	-177.3	63.7	0	0	0	112.3	F218 Q220 K226	F218-L222 VanDerWaalsContact O-CB 3.24Å; F218-L222 WeakPolarHBondContact O-CB 3.38Å; F218-L222 PolarHBondContact O-N 3.41Å; Q220-L222 PolarHBondContact O-N 3.5Å; L222-K226 HydrophobicContact CD1-CG 4.49Å; L222-K226 HydrophobicContact CG-CD 4.35Å; L222-K226 WeakPolarHBondContact O-CB 3.47Å; L222-K226 VanDerWaalsContact O-CG 3.26Å; L222-K226 WeakPolarHBondContact O-CG 3.43Å; L222-K226 PolarHBondContact O-N 3.02Å
223	R	95.3	Very high	95.2	Very high	133 Å²	133	74.1 Å²	74.1	50%	0.502	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-47	173.5	-73.9	-172.9	-67.8	-91.4	9.8	111	S219 Q220 Q221 V225 K226 E227	S219-R223 WeakPolarHBondContact O-CG 3.4Å; S219-R223 PolarHBondContact O-N 3.23Å; S219-R223 PolarHBondContact O-NH1 3.3Å; Q220-R223 WeakPolarHBondContact O-CA 3.34Å; Q220-R223 WeakPolarHBondContact O-CB 3.43Å; Q220-R223 PolarHBondContact O-N 3.24Å; Q221-R223 PolarHBondContact O-N 3.4Å; R223-V225 PolarHBondContact O-N 3.44Å; R223-K226 PolarHBondContact O-N 2.75Å; R223-E227 PolarHBondContact O-N 3.31Å
224	D	95.1	Very high	95.1	Very high	33 Å²	33	74.1 Å²	74.1	18%	0.176	36%	0.362	C	S	.	.	H	α-helix	trans	-62.5	-44.1	-178.9	-59.7	-29.7	0	0	0	111.4	Q220 Q221 E227 G228 K258 H260	Q220-D224 PolarHBondContact NE2-OD1 2.87Å; Q220-D224 PolarHBondContact NE2-OD2 3.45Å; Q220-D224 PolarHBondContact O-N 3.48Å; Q221-D224 PolarHBondContact O-N 2.89Å; D224-E227 PolarHBondContact O-N 3.48Å; D224-G228 PolarHBondContact O-N 2.82Å; D224-K258 HydrophobicContact CB-CG 4.49Å; D224-H260 IonicContact OD2-CE1 3.68Å
225	V	95.7	Very high	95	Very high	49 Å²	49	73.5 Å²	73.5	30%	0.297	36%	0.358	S	S	.	.	H	α-helix	trans	-63.1	-45.1	175.7	171.3	0	0	0	0	111	Q221 R223 E227 G228 I229 K258 H260	Q221-V225 WeakPolarHBondContact O-CB 3.46Å; Q221-V225 VanDerWaalsContact O-CG2 3.27Å; Q221-V225 WeakPolarHBondContact O-CG2 3.29Å; Q221-V225 PolarHBondContact O-N 2.93Å; R223-V225 PolarHBondContact O-N 3.44Å; V225-E227 VanDerWaalsContact C-N 3.35Å; V225-E227 PolarHBondContact O-N 3Å; V225-G228 PolarHBondContact O-N 2.95Å; V225-I229 HydrophobicContact CG1-CD1 3.99Å; V225-I229 WeakPolarHBondContact O-CG1 3.24Å; V225-I229 PolarHBondContact O-N 3.4Å; V225-K258 WeakPolarHBondContact CG2-O 3.28Å; V225-H260 HydrophobicContact CG2-CB 4.49Å
226	K	96.2	Very high	94.9	Very high	132 Å²	132	74.6 Å²	74.6	57%	0.574	36%	0.364	S	S	*	.	H	α-helix	trans	-61.2	-41.8	177.1	-79.7	179.2	177.7	-176.9	0	112.3	L222 R223 I229 G230	L222-K226 HydrophobicContact CD1-CG 4.49Å; L222-K226 HydrophobicContact CG-CD 4.35Å; L222-K226 WeakPolarHBondContact O-CB 3.47Å; L222-K226 VanDerWaalsContact O-CG 3.26Å; L222-K226 WeakPolarHBondContact O-CG 3.43Å; L222-K226 PolarHBondContact O-N 3.02Å; R223-K226 PolarHBondContact O-N 2.75Å; K226-I229 PolarHBondContact O-N 3.22Å; K226-G230 PolarHBondContact O-N 3.36Å; K226-G230 VanDerWaalsContact O-N 3.07Å
227	E	95.8	Very high	94.8	Very high	98 Å²	98	74.5 Å²	74.5	46%	0.458	37%	0.368	S	S	.	.	H	α-helix	trans	-64.9	-43.2	175.5	-167.7	-166.6	149	0	0	111.2	R223 D224 V225 I229 G230 I231 K258	R223-E227 PolarHBondContact O-N 3.31Å; D224-E227 PolarHBondContact O-N 3.48Å; V225-E227 VanDerWaalsContact C-N 3.35Å; V225-E227 PolarHBondContact O-N 3Å; E227-I229 VanDerWaalsContact C-N 3.32Å; E227-I229 PolarHBondContact O-N 3.24Å; E227-G230 PolarHBondContact O-N 2.87Å; E227-G230 VanDerWaalsContact O-N 3.12Å; E227-I231 HydrophobicContact CG-CD1 4.24Å; E227-I231 WeakPolarHBondContact O-CG1 3.39Å; E227-I231 PolarHBondContact O-N 2.97Å; E227-K258 WeakPolarHBondContact OE1-CE 3.47Å; E227-K258 IonicContact OE1-NZ 2.68Å; E227-K258 PolarHBondContact OE1-NZ 2.71Å; E227-K258 IonicContact OE2-NZ 3.74Å; E227-K258 PolarHBondContact OE2-NZ 2.88Å
228	G	95.6	Very high	94.6	Very high	7 Å²	7	73 Å²	73	7%	0.072	37%	0.365	C	S	.	.	H	α-helix	trans	-59	-41.1	175	0	0	0	0	0	112.9	D224 V225 I231 L232	D224-G228 PolarHBondContact O-N 2.82Å; V225-G228 PolarHBondContact O-N 2.95Å; G228-I231 PolarHBondContact O-N 2.97Å; G228-L232 PolarHBondContact O-N 2.88Å; G228-L232 VanDerWaalsContact O-N 3.1Å
229	I	95.4	Very high	94.3	Very high	82 Å²	82	77.9 Å²	77.9	42%	0.421	40%	0.399	S	S	.	.	H	α-helix	trans	-59.9	-46.6	172.8	-70.1	165.5	0	0	0	110.5	V225 K226 E227 I231 L232 Q233	V225-I229 HydrophobicContact CG1-CD1 3.99Å; V225-I229 WeakPolarHBondContact O-CG1 3.24Å; V225-I229 PolarHBondContact O-N 3.4Å; K226-I229 PolarHBondContact O-N 3.22Å; E227-I229 VanDerWaalsContact C-N 3.32Å; E227-I229 PolarHBondContact O-N 3.24Å; I229-I231 PolarHBondContact O-N 2.86Å; I229-L232 PolarHBondContact O-N 2.95Å; I229-Q233 HydrophobicContact CG2-CG 4.25Å; I229-Q233 WeakPolarHBondContact O-CB 3.37Å; I229-Q233 VanDerWaalsContact O-CG 3.28Å; I229-Q233 WeakPolarHBondContact O-CG 3.33Å; I229-Q233 PolarHBondContact O-N 3.32Å
230	G	95.5	Very high	94.1	Very high	31 Å²	31	76.8 Å²	76.8	32%	0.32	40%	0.395	S	S	.	.	H	α-helix	trans	-60.4	-43.5	178.7	0	0	0	0	0	113.1	K226 E227 L232 Q233 E234	K226-G230 PolarHBondContact O-N 3.36Å; K226-G230 VanDerWaalsContact O-N 3.07Å; E227-G230 PolarHBondContact O-N 2.87Å; E227-G230 VanDerWaalsContact O-N 3.12Å; G230-L232 PolarHBondContact O-N 2.91Å; G230-Q233 PolarHBondContact O-N 3.31Å; G230-E234 WeakPolarHBondContact O-CB 3.28Å; G230-E234 PolarHBondContact O-N 3.3Å
231	I	94.8	Very high	93.9	Very high	7 Å²	7	83.5 Å²	83.5	4%	0.036	42%	0.417	C	S	.	.	H	α-helix	trans	-60.2	-45.3	176.6	-68.3	160.6	0	0	0	111.2	E227 G228 I229 R235 T251 R254 I255 K258	E227-I231 HydrophobicContact CG-CD1 4.24Å; E227-I231 WeakPolarHBondContact O-CG1 3.39Å; E227-I231 PolarHBondContact O-N 2.97Å; G228-I231 PolarHBondContact O-N 2.97Å; I229-I231 PolarHBondContact O-N 2.86Å; I231-R235 PolarHBondContact O-N 3.28Å; I231-R235 VanDerWaalsContact O-N 3.17Å; I231-T251 HydrophobicContact CG2-CG2 3.78Å; I231-R254 HydrophobicContact CD1-CB 4.06Å; I231-R254 HydrophobicContact CG2-CB 4.31Å; I231-I255 HydrophobicContact CG2-CD1 4.35Å; I231-I255 HydrophobicContact CG2-CG1 4.05Å; I231-K258 HydrophobicContact CD1-CD 4.18Å
232	L	94.1	Very high	93.8	Very high	78 Å²	78	88.3 Å²	88.3	41%	0.408	44%	0.439	S	S	.	.	H	α-helix	trans	-66.1	-41	177.4	-78.7	171.8	0	0	0	112	G228 I229 G230 R235 L236 I255	G228-L232 PolarHBondContact O-N 2.88Å; G228-L232 VanDerWaalsContact O-N 3.1Å; I229-L232 PolarHBondContact O-N 2.95Å; G230-L232 PolarHBondContact O-N 2.91Å; L232-R235 PolarHBondContact O-N 3.03Å; L232-L236 WeakPolarHBondContact O-CB 3.45Å; L232-L236 VanDerWaalsContact O-CG 3.23Å; L232-L236 WeakPolarHBondContact O-CG 3.25Å; L232-L236 PolarHBondContact O-N 2.86Å; L232-I255 HydrophobicContact CD1-CD1 4.12Å; L232-I255 HydrophobicContact CD2-CD1 3.29Å; L232-I255 HydrophobicContact CG-CD1 3.46Å; L232-I255 VanDerWaalsContact CG-CD1 3.46Å; L232-I255 HydrophobicContact CG-CG1 4.34Å
233	Q	95.3	Very high	93.5	Very high	110 Å²	110	88.3 Å²	88.3	51%	0.514	44%	0.439	S	S	.	.	H	α-helix	trans	-63.5	-42.7	176.9	-75.3	173.7	-18	0	0	112	I229 G230 R235 L236 N237	I229-Q233 HydrophobicContact CG2-CG 4.25Å; I229-Q233 WeakPolarHBondContact O-CB 3.37Å; I229-Q233 VanDerWaalsContact O-CG 3.28Å; I229-Q233 WeakPolarHBondContact O-CG 3.33Å; I229-Q233 PolarHBondContact O-N 3.32Å; G230-Q233 PolarHBondContact O-N 3.31Å; Q233-R235 PolarHBondContact O-N 2.87Å; Q233-L236 PolarHBondContact O-N 3.38Å; Q233-N237 WeakPolarHBondContact O-CB 3.11Å; Q233-N237 PolarHBondContact O-N 2.86Å; Q233-N237 PolarHBondContact O-ND2 2.83Å; Q233-N237 VanDerWaalsContact O-ND2 3.14Å
234	E	92.8	Very high	93.4	Very high	116 Å²	116	85.1 Å²	85.1	54%	0.542	43%	0.429	S	S	.	.	H	α-helix	trans	-55.8	-49.9	174.5	-175.9	179.4	-155.6	0	0	110.8	G230 N237 R254	G230-E234 WeakPolarHBondContact O-CB 3.28Å; G230-E234 PolarHBondContact O-N 3.3Å; E234-N237 PolarHBondContact O-N 3.18Å; E234-R254 IonicContact OE2-NH1 3.81Å
235	R	93.2	Very high	93.2	Very high	36 Å²	36	89.4 Å²	89.4	14%	0.136	45%	0.451	C	S	.	.	H	α-helix	trans	-62.7	-43.8	177.4	-176.9	57.4	59.1	-176.8	-5.4	112.5	I231 L232 Q233 N237 E238 D243 F244 G247 T251	I231-R235 PolarHBondContact O-N 3.28Å; I231-R235 VanDerWaalsContact O-N 3.17Å; L232-R235 PolarHBondContact O-N 3.03Å; Q233-R235 PolarHBondContact O-N 2.87Å; R235-N237 PolarHBondContact O-N 2.92Å; R235-E238 WeakPolarHBondContact CD-OE2 3.35Å; R235-E238 IonicContact CZ-OE1 3.31Å; R235-E238 IonicContact CZ-OE2 3.83Å; R235-E238 VanDerWaalsContact CZ-OE2 3.31Å; R235-E238 IonicContact NE-OE1 3.54Å; R235-E238 IonicContact NE-OE2 3.13Å; R235-E238 VanDerWaalsContact NH1-CD 3.27Å; R235-E238 IonicContact NH1-OE1 2.64Å; R235-E238 PolarHBondContact NH1-OE1 3.31Å; R235-E238 VanDerWaalsContact NH1-OE1 3.13Å; R235-E238 IonicContact NH1-OE2 3.38Å; R235-E238 PolarHBondContact NH1-OE2 2.89Å; R235-E238 IonicContact NH2-OE1 3.92Å; R235-E238 PolarHBondContact O-N 3.37Å; R235-D243 PolarHBondContact NH1-O 3.07Å; R235-F244 HydrophobicContact CG-CD2 4Å; R235-F244 HydrophobicContact CG-CE2 3.69Å; R235-F244 HydrophobicContact CG-CZ 4.39Å; R235-F244 PolarHBondContact NH1-O 2.83Å; R235-F244 VanDerWaalsContact O-CD2 3.25Å; R235-F244 WeakPolarHBondContact O-CD2 3.35Å; R235-F244 WeakPolarHBondContact O-CE2 3.3Å; R235-G247 VanDerWaalsContact CZ-CA 3.48Å; R235-G247 VanDerWaalsContact NH1-CA 3.3Å; R235-G247 PolarHBondContact NH2-O 3.33Å; R235-T251 HydrophobicContact CB-CG2 4.07Å; R235-T251 HydrophobicContact CG-CG2 4.19Å; R235-T251 PolarHBondContact NE-OG1 2.61Å; R235-T251 PolarHBondContact NH2-OG1 2.87Å
236	L	92.3	Very high	93	Very high	125 Å²	125	93.6 Å²	93.6	65%	0.654	47%	0.468	S	S	*	.	H	α-helix	trans	-66.9	-21	-179.8	-74.2	168.8	0	0	0	113.4	L232 Q233	L232-L236 WeakPolarHBondContact O-CB 3.45Å; L232-L236 VanDerWaalsContact O-CG 3.23Å; L232-L236 WeakPolarHBondContact O-CG 3.25Å; L232-L236 PolarHBondContact O-N 2.86Å; Q233-L236 PolarHBondContact O-N 3.38Å
237	N	93	Very high	92.7	Very high	127 Å²	127	87.6 Å²	87.6	68%	0.679	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.8	177.8	-71.4	-25.6	0	0	0	113.6	Q233 E234 R235 T239	Q233-N237 WeakPolarHBondContact O-CB 3.11Å; Q233-N237 PolarHBondContact O-N 2.86Å; Q233-N237 PolarHBondContact O-ND2 2.83Å; Q233-N237 VanDerWaalsContact O-ND2 3.14Å; E234-N237 PolarHBondContact O-N 3.18Å; R235-N237 PolarHBondContact O-N 2.92Å; N237-T239 PolarHBondContact O-N 3.4Å
238	E	91.1	Very high	92.5	Very high	69 Å²	69	86.1 Å²	86.1	32%	0.322	44%	0.441	S	S	.	.			trans	-67.9	124.2	175.2	-77.4	167.9	178.8	0	0	111	R235 F244	R235-E238 WeakPolarHBondContact CD-OE2 3.35Å; R235-E238 IonicContact CZ-OE1 3.31Å; R235-E238 IonicContact CZ-OE2 3.83Å; R235-E238 VanDerWaalsContact CZ-OE2 3.31Å; R235-E238 IonicContact NE-OE1 3.54Å; R235-E238 IonicContact NE-OE2 3.13Å; R235-E238 VanDerWaalsContact NH1-CD 3.27Å; R235-E238 IonicContact NH1-OE1 2.64Å; R235-E238 PolarHBondContact NH1-OE1 3.31Å; R235-E238 VanDerWaalsContact NH1-OE1 3.13Å; R235-E238 IonicContact NH1-OE2 3.38Å; R235-E238 PolarHBondContact NH1-OE2 2.89Å; R235-E238 IonicContact NH2-OE1 3.92Å; R235-E238 PolarHBondContact O-N 3.37Å; E238-F244 VanDerWaalsContact OE2-CA 3.27Å; E238-F244 WeakPolarHBondContact OE2-CA 3.39Å
239	T	89.6	Confident	92.2	Very high	145 Å²	145	89.2 Å²	89.2	89%	0.89	47%	0.466	S	S	*	.			trans	-86.5	-23.1	-176.5	53.9	0	0	0	0	112.9	N237	N237-T239 PolarHBondContact O-N 3.4Å
240	G	91.6	Very high	92	Very high	25 Å²	25	90.8 Å²	90.8	26%	0.258	48%	0.475	S	S	.	.			trans	-81	115.7	178.4	0	0	0	0	0	112	H242 D243 F244	G240-H242 VanDerWaalsContact C-N 3.3Å; G240-H242 PolarHBondContact O-N 2.92Å; G240-D243 PolarHBondContact O-N 3.07Å; G240-F244 VanDerWaalsContact O-CB 3.31Å; G240-F244 WeakPolarHBondContact O-CB 3.42Å; G240-F244 PolarHBondContact O-N 3.37Å
241	R	90.5	Very high	91.9	Very high	223 Å²	223	89.7 Å²	89.7	84%	0.842	46%	0.462	S	S	*	.	H	α-helix	trans	-62.4	-33.8	-178	-64.5	-177.6	-177.1	177.1	0.6	113.6	L245	R241-L245 WeakPolarHBondContact O-CG 3.49Å; R241-L245 PolarHBondContact O-N 3.12Å
242	H	92.3	Very high	91.7	Very high	135 Å²	135	93.1 Å²	93.1	63%	0.625	49%	0.487	S	S	*	.	H	α-helix	trans	-72.2	-53.1	178.8	-178.7	-83.8	0	0	0	110.9	G240 F244 L245 E246	G240-H242 VanDerWaalsContact C-N 3.3Å; G240-H242 PolarHBondContact O-N 2.92Å; H242-F244 PolarHBondContact O-N 3.09Å; H242-L245 PolarHBondContact O-N 3.48Å; H242-E246 IonicContact CE1-OE2 2.95Å; H242-E246 PolarHBondContact O-N 3.21Å
243	D	87.7	Confident	91.6	Very high	93 Å²	93	96.3 Å²	96.3	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-59.3	-36.9	-180	-51.8	-28.8	0	0	0	111.9	R235 G240 G247	R235-D243 PolarHBondContact NH1-O 3.07Å; G240-D243 PolarHBondContact O-N 3.07Å; D243-G247 PolarHBondContact O-N 2.84Å
244	F	93.1	Very high	91.5	Very high	66 Å²	66	97 Å²	97	29%	0.289	50%	0.497	S	S	.	.	H	α-helix	trans	-56	-53.9	171.2	178.6	-89	0	0	0	111.9	R235 E238 G240 H242 V248	R235-F244 HydrophobicContact CG-CD2 4Å; R235-F244 HydrophobicContact CG-CE2 3.69Å; R235-F244 HydrophobicContact CG-CZ 4.39Å; R235-F244 PolarHBondContact NH1-O 2.83Å; R235-F244 VanDerWaalsContact O-CD2 3.25Å; R235-F244 WeakPolarHBondContact O-CD2 3.35Å; R235-F244 WeakPolarHBondContact O-CE2 3.3Å; E238-F244 VanDerWaalsContact OE2-CA 3.27Å; E238-F244 WeakPolarHBondContact OE2-CA 3.39Å; G240-F244 VanDerWaalsContact O-CB 3.31Å; G240-F244 WeakPolarHBondContact O-CB 3.42Å; G240-F244 PolarHBondContact O-N 3.37Å; H242-F244 PolarHBondContact O-N 3.09Å; F244-V248 HydrophobicContact CD1-CG2 4.43Å; F244-V248 HydrophobicContact CE1-CG2 4.21Å; F244-V248 VanDerWaalsContact O-CG2 3.32Å; F244-V248 WeakPolarHBondContact O-CG2 3.42Å; F244-V248 PolarHBondContact O-N 3.09Å
245	L	91.8	Very high	91.6	Very high	123 Å²	123	92.6 Å²	92.6	64%	0.644	48%	0.477	S	S	*	.	H	α-helix	trans	-67.6	-38.2	-176.3	-71.2	173.3	0	0	0	112.2	R241 H242 G247 V248	R241-L245 WeakPolarHBondContact O-CG 3.49Å; R241-L245 PolarHBondContact O-N 3.12Å; H242-L245 PolarHBondContact O-N 3.48Å; L245-G247 VanDerWaalsContact C-N 3.35Å; L245-G247 PolarHBondContact O-N 2.91Å; L245-V248 PolarHBondContact O-N 2.85Å
246	E	90.3	Very high	91.5	Very high	137 Å²	137	99.4 Å²	99.4	64%	0.64	51%	0.508	S	S	*	.	H	α-helix	trans	-62	-41.4	179.9	-175.2	171.8	-153.7	0	0	111.9	H242	H242-E246 IonicContact CE1-OE2 2.95Å; H242-E246 PolarHBondContact O-N 3.21Å
247	G	89.9	Confident	91.3	Very high	7 Å²	7	96.3 Å²	96.3	7%	0.072	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	3.1	-178.3	0	0	0	0	0	115.9	R235 D243 L245 A249 L250 T251	R235-G247 VanDerWaalsContact CZ-CA 3.48Å; R235-G247 VanDerWaalsContact NH1-CA 3.3Å; R235-G247 PolarHBondContact NH2-O 3.33Å; D243-G247 PolarHBondContact O-N 2.84Å; L245-G247 VanDerWaalsContact C-N 3.35Å; L245-G247 PolarHBondContact O-N 2.91Å; G247-A249 VanDerWaalsContact C-N 3.3Å; G247-A249 PolarHBondContact O-N 2.84Å; G247-L250 PolarHBondContact O-N 3.12Å; G247-T251 WeakPolarHBondContact O-CB 3.37Å; G247-T251 PolarHBondContact O-N 3.39Å; G247-T251 PolarHBondContact O-OG1 2.86Å
248	V	91.7	Very high	91.3	Very high	66 Å²	66	91.7 Å²	91.7	40%	0.4	48%	0.48	S	S	.	.	H	α-helix	trans	-57.7	-42.4	176.3	171.6	0	0	0	0	111.5	F244 L245 T251 S252	F244-V248 HydrophobicContact CD1-CG2 4.43Å; F244-V248 HydrophobicContact CE1-CG2 4.21Å; F244-V248 VanDerWaalsContact O-CG2 3.32Å; F244-V248 WeakPolarHBondContact O-CG2 3.42Å; F244-V248 PolarHBondContact O-N 3.09Å; L245-V248 PolarHBondContact O-N 2.85Å; V248-T251 PolarHBondContact O-N 2.86Å; V248-S252 WeakPolarHBondContact O-CB 3.42Å; V248-S252 PolarHBondContact O-N 3.13Å
249	A	90.9	Very high	91.2	Very high	72 Å²	72	95.2 Å²	95.2	60%	0.595	50%	0.5	S	S	*	.	H	α-helix	trans	-61.5	-49.1	-178.8	0	0	0	0	0	111.9	G247 T251 S252 E253	G247-A249 VanDerWaalsContact C-N 3.3Å; G247-A249 PolarHBondContact O-N 2.84Å; A249-T251 VanDerWaalsContact C-N 3.32Å; A249-T251 PolarHBondContact O-N 2.72Å; A249-S252 PolarHBondContact O-N 2.75Å; A249-E253 PolarHBondContact O-N 3.27Å; A249-E253 VanDerWaalsContact O-N 3.07Å
250	L	91.6	Very high	91.2	Very high	116 Å²	116	91.3 Å²	91.3	61%	0.607	47%	0.471	S	S	*	.	H	α-helix	trans	-61.6	-40	175.6	-71.7	169.6	0	0	0	112	G247 E253 R254	G247-L250 PolarHBondContact O-N 3.12Å; L250-E253 PolarHBondContact O-N 2.84Å; L250-R254 WeakPolarHBondContact O-CG 3.4Å; L250-R254 PolarHBondContact O-N 3.13Å
251	T	91.8	Very high	90.9	Very high	8 Å²	8	97.7 Å²	97.7	5%	0.049	49%	0.494	C	S	.	.	H	α-helix	trans	-64.8	-44.3	178.2	-54.7	0	0	0	0	110.9	I231 R235 G247 V248 A249 E253 R254 I255	I231-T251 HydrophobicContact CG2-CG2 3.78Å; R235-T251 HydrophobicContact CB-CG2 4.07Å; R235-T251 HydrophobicContact CG-CG2 4.19Å; R235-T251 PolarHBondContact NE-OG1 2.61Å; R235-T251 PolarHBondContact NH2-OG1 2.87Å; G247-T251 WeakPolarHBondContact O-CB 3.37Å; G247-T251 PolarHBondContact O-N 3.39Å; G247-T251 PolarHBondContact O-OG1 2.86Å; V248-T251 PolarHBondContact O-N 2.86Å; A249-T251 VanDerWaalsContact C-N 3.32Å; A249-T251 PolarHBondContact O-N 2.72Å; T251-E253 VanDerWaalsContact C-N 3.28Å; T251-E253 PolarHBondContact O-N 3.13Å; T251-R254 PolarHBondContact O-N 2.89Å; T251-I255 HydrophobicContact CG2-CD1 3.8Å; T251-I255 WeakPolarHBondContact O-CD1 3.37Å; T251-I255 VanDerWaalsContact O-CG1 3.26Å; T251-I255 WeakPolarHBondContact O-CG1 3.36Å; T251-I255 PolarHBondContact O-N 3.3Å
252	S	91.6	Very high	90.7	Very high	79 Å²	79	92.5 Å²	92.5	55%	0.552	49%	0.487	S	S	*	.	H	α-helix	trans	-61.8	-36.9	176.8	-170.5	0	0	0	0	112	V248 A249 K256	V248-S252 WeakPolarHBondContact O-CB 3.42Å; V248-S252 PolarHBondContact O-N 3.13Å; A249-S252 PolarHBondContact O-N 2.75Å; S252-K256 PolarHBondContact O-N 3.41Å
253	E	92.5	Very high	90.2	Very high	145 Å²	145	91.7 Å²	91.7	68%	0.678	49%	0.488	S	S	*	.	H	α-helix	trans	-69.4	-42.6	176.6	-169.7	158.4	-155.8	0	0	111.7	A249 L250 T251 I255 K256	A249-E253 PolarHBondContact O-N 3.27Å; A249-E253 VanDerWaalsContact O-N 3.07Å; L250-E253 PolarHBondContact O-N 2.84Å; T251-E253 VanDerWaalsContact C-N 3.28Å; T251-E253 PolarHBondContact O-N 3.13Å; E253-I255 VanDerWaalsContact C-N 3.27Å; E253-I255 PolarHBondContact O-N 3.3Å; E253-K256 WeakPolarHBondContact O-CB 3.47Å; E253-K256 PolarHBondContact O-N 3.45Å
254	R	93.3	Very high	90.3	Very high	123 Å²	123	92.6 Å²	92.6	46%	0.464	49%	0.492	S	S	.	.	H	α-helix	trans	-65	-26.5	176.4	-70.2	173	69.6	-164.5	2.2	113.6	I231 E234 L250 T251 K258	I231-R254 HydrophobicContact CD1-CB 4.06Å; I231-R254 HydrophobicContact CG2-CB 4.31Å; E234-R254 IonicContact OE2-NH1 3.81Å; L250-R254 WeakPolarHBondContact O-CG 3.4Å; L250-R254 PolarHBondContact O-N 3.13Å; T251-R254 PolarHBondContact O-N 2.89Å; R254-K258 WeakPolarHBondContact O-CD 3.07Å; R254-K258 WeakPolarHBondContact O-CE 3.35Å
255	I	93.6	Very high	89.9	Confident	25 Å²	25	94.1 Å²	94.1	13%	0.128	51%	0.507	C	S	.	.	H	α-helix	trans	-84.3	-21.2	179.4	-68.5	163.2	0	0	0	112.4	I231 L232 T251 E253 G257 K258 I259	I231-I255 HydrophobicContact CG2-CD1 4.35Å; I231-I255 HydrophobicContact CG2-CG1 4.05Å; L232-I255 HydrophobicContact CD1-CD1 4.12Å; L232-I255 HydrophobicContact CD2-CD1 3.29Å; L232-I255 HydrophobicContact CG-CD1 3.46Å; L232-I255 VanDerWaalsContact CG-CD1 3.46Å; L232-I255 HydrophobicContact CG-CG1 4.34Å; T251-I255 HydrophobicContact CG2-CD1 3.8Å; T251-I255 WeakPolarHBondContact O-CD1 3.37Å; T251-I255 VanDerWaalsContact O-CG1 3.26Å; T251-I255 WeakPolarHBondContact O-CG1 3.36Å; T251-I255 PolarHBondContact O-N 3.3Å; E253-I255 VanDerWaalsContact C-N 3.27Å; E253-I255 PolarHBondContact O-N 3.3Å; I255-G257 PolarHBondContact O-N 2.89Å; I255-K258 WeakPolarHBondContact O-CB 3.2Å; I255-K258 PolarHBondContact O-N 3.07Å; I255-I259 HydrophobicContact CG2-CD1 4.3Å; I255-I259 HydrophobicContact CG2-CG1 4.42Å
256	K	92.1	Very high	89.5	Confident	179 Å²	179	97.7 Å²	97.7	78%	0.778	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	125	-174.6	-168.4	177.7	-179.9	-178.9	0	110.8	S252 E253 K258	S252-K256 PolarHBondContact O-N 3.41Å; E253-K256 WeakPolarHBondContact O-CB 3.47Å; E253-K256 PolarHBondContact O-N 3.45Å; K256-K258 VanDerWaalsContact C-N 3.31Å; K256-K258 PolarHBondContact O-N 3.44Å
257	G	88	Confident	89.3	Confident	60 Å²	60	97.3 Å²	97.3	62%	0.619	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	2.8	-179.3	0	0	0	0	0	115.6	I255 H260	I255-G257 PolarHBondContact O-N 2.89Å; G257-H260 PolarHBondContact O-CE1 3.13Å; G257-H260 VanDerWaalsContact O-CE1 3.24Å
258	K	91.8	Very high	89.1	Confident	30 Å²	30	103 Å²	103	13%	0.13	54%	0.54	C	S	.	.			trans	-88.8	-15.9	175.3	-64.6	-172.1	-179.3	-72.8	0	113.7	D224 V225 E227 I231 R254 I255 K256 H260	D224-K258 HydrophobicContact CB-CG 4.49Å; V225-K258 WeakPolarHBondContact CG2-O 3.28Å; E227-K258 WeakPolarHBondContact OE1-CE 3.47Å; E227-K258 IonicContact OE1-NZ 2.68Å; E227-K258 PolarHBondContact OE1-NZ 2.71Å; E227-K258 IonicContact OE2-NZ 3.74Å; E227-K258 PolarHBondContact OE2-NZ 2.88Å; I231-K258 HydrophobicContact CD1-CD 4.18Å; R254-K258 WeakPolarHBondContact O-CD 3.07Å; R254-K258 WeakPolarHBondContact O-CE 3.35Å; I255-K258 WeakPolarHBondContact O-CB 3.2Å; I255-K258 PolarHBondContact O-N 3.07Å; K256-K258 VanDerWaalsContact C-N 3.31Å; K256-K258 PolarHBondContact O-N 3.44Å; K258-H260 PolarHBondContact O-ND1 3.5Å
259	I	90.2	Very high	89	Confident	143 Å²	143	102.8 Å²	102.8	73%	0.733	53%	0.534	S	S	*	.			trans	-87.1	121.8	176.2	-56.8	175.9	0	0	0	108.6	I255	I255-I259 HydrophobicContact CG2-CD1 4.3Å; I255-I259 HydrophobicContact CG2-CG1 4.42Å
260	H	88.9	Confident	88.8	Confident	62 Å²	62	101.8 Å²	101.8	29%	0.287	52%	0.521	S	S	.	.			trans	-125.2	137.3	-177	-64.2	93.3	0	0	0	110.3	Q221 D224 V225 G257 K258	Q221-H260 HydrophobicContact CB-CB 4.42Å; Q221-H260 HydrophobicContact CG-CB 4.45Å; D224-H260 IonicContact OD2-CE1 3.68Å; V225-H260 HydrophobicContact CG2-CB 4.49Å; G257-H260 PolarHBondContact O-CE1 3.13Å; G257-H260 VanDerWaalsContact O-CE1 3.24Å; K258-H260 PolarHBondContact O-ND1 3.5Å
261	E	85.2	Confident	88.5	Confident	160 Å²	160	99.9 Å²	99.9	75%	0.748	51%	0.514	S	S	*	.			trans	-79.8	134.3	169.2	-72.2	-177.6	176.1	0	0	110.8	N263	E261-N263 PolarHBondContact O-N 3.43Å
262	T	87	Confident	88.2	Confident	113 Å²	113	104.5 Å²	104.5	69%	0.693	55%	0.547	S	S	*	.			trans	-89.7	100.2	177.8	-52.5	0	0	0	0	110.1	F218	F218-T262 HydrophobicContact CE1-CG2 4.12Å
263	N	82.3	Confident	87.9	Confident	119 Å²	119	105.2 Å²	105.2	64%	0.636	54%	0.54	S	S	*	.			trans	-116.2	100	169.7	-68	-38.4	0	0	0	108.9	E261	E261-N263 PolarHBondContact O-N 3.43Å
264	L	88.4	Confident	87.6	Confident	112 Å²	112	99.9 Å²	99.9	59%	0.586	51%	0.514	S	S	*	.			trans	-128	123.4	175.1	177.5	67.6	0	0	0	109.1	F218	F218-L264 HydrophobicContact CE2-CB 4.05Å; F218-L264 HydrophobicContact CE2-CD1 3.77Å; F218-L264 HydrophobicContact CE2-CG 4.32Å; F218-L264 HydrophobicContact CZ-CB 3.89Å; F218-L264 HydrophobicContact CZ-CD1 4.45Å
265	T	85.3	Confident	87.1	Confident	98 Å²	98	101 Å²	101	60%	0.601	53%	0.527	S	S	*	.			trans	-104.7	135.9	168.8	48.2	0	0	0	0	108.8
266	Y	84.1	Confident	86.6	Confident	198 Å²	198	101.4 Å²	101.4	78%	0.776	54%	0.537	S	S	*	.			trans	-81.1	129.9	169.7	-177.3	-99	0	0	0	108.6	D268	Y266-D268 VanDerWaalsContact CE1-OD1 3.23Å; Y266-D268 WeakPolarHBondContact CE1-OD1 3.44Å
267	E	85.9	Confident	86.4	Confident	128 Å²	128	97.2 Å²	97.2	60%	0.598	53%	0.528	S	S	*	.			trans	-120	123.7	177.5	-71.3	175	-177.6	0	0	108.3	K214	K214-E267 IonicContact NZ-OE2 2.69Å
268	D	85.2	Confident	86.3	Confident	128 Å²	128	97.7 Å²	97.7	68%	0.684	52%	0.516	S	S	*	.			trans	-69.1	142.2	177.2	-76.1	-53.6	0	0	0	111.1	Y266	Y266-D268 VanDerWaalsContact CE1-OD1 3.23Å; Y266-D268 WeakPolarHBondContact CE1-OD1 3.44Å
269	F	89.9	Confident	86	Confident	60 Å²	60	104.5 Å²	104.5	26%	0.263	55%	0.548	S	S	.	.			trans	-62.4	135.9	164.9	-174.6	-100.7	0	0	0	109.1	L200 D203 T207 T271 Y274	L200-F269 HydrophobicContact CD1-CE1 3.9Å; L200-F269 HydrophobicContact CD1-CZ 3.81Å; D203-F269 HydrophobicContact CB-CE2 4.18Å; D203-F269 HydrophobicContact CB-CZ 4.16Å; T207-F269 HydrophobicContact CG2-CD2 4.18Å; F269-T271 PolarHBondContact O-N 2.86Å; F269-T271 PolarHBondContact O-OG1 2.84Å; F269-Y274 HydrophobicContact CE1-CD2 4.49Å; F269-Y274 HydrophobicContact CE1-CE2 4.41Å; F269-Y274 HydrophobicContact CZ-CE2 4.45Å
270	P	85.6	Confident	85.8	Confident	51 Å²	51	103.4 Å²	103.4	33%	0.331	54%	0.536	S	S	.	.			trans	-73.6	58.5	-173.1	31.9	-38.1	0	0	0	113.1	S272 K273	P270-S272 PolarHBondContact O-N 3.41Å; P270-K273 HydrophobicContact CB-CB 4.48Å; P270-K273 WeakPolarHBondContact O-CB 3.19Å; P270-K273 PolarHBondContact O-N 3.4Å
271	T	86.3	Confident	85.7	Confident	76 Å²	76	103.2 Å²	103.2	47%	0.466	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-58.7	-33.9	-177.5	-51.2	0	0	0	0	111.8	F269 K273 Y274 M275	F269-T271 PolarHBondContact O-N 2.86Å; F269-T271 PolarHBondContact O-OG1 2.84Å; T271-K273 PolarHBondContact O-N 3.35Å; T271-Y274 PolarHBondContact O-N 2.89Å; T271-M275 HydrophobicContact CG2-CG 3.78Å; T271-M275 WeakPolarHBondContact O-CG 3.35Å; T271-M275 PolarHBondContact O-N 2.91Å; T271-M275 VanDerWaalsContact O-N 3.1Å
272	S	85.3	Confident	85.8	Confident	105 Å²	105	97.8 Å²	97.8	73%	0.734	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-60.3	-27.2	177.1	56.2	0	0	0	0	113.7	P270 Y274	P270-S272 PolarHBondContact O-N 3.41Å; S272-Y274 PolarHBondContact O-N 3.41Å
273	K	85.1	Confident	85.7	Confident	94 Å²	94	98.1 Å²	98.1	41%	0.409	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-60.1	-32.3	174.3	-175.5	-180	170.2	-172.5	0	112.1	E199 D203 P270 T271	E199-K273 WeakPolarHBondContact OE1-CE 3.28Å; E199-K273 IonicContact OE1-NZ 2.67Å; E199-K273 PolarHBondContact OE1-NZ 3.41Å; D203-K273 IonicContact OD1-NZ 2.97Å; D203-K273 IonicContact OD2-NZ 2.59Å; D203-K273 PolarHBondContact OD2-NZ 2.74Å; P270-K273 HydrophobicContact CB-CB 4.48Å; P270-K273 WeakPolarHBondContact O-CB 3.19Å; P270-K273 PolarHBondContact O-N 3.4Å; T271-K273 PolarHBondContact O-N 3.35Å
274	Y	86.9	Confident	85.8	Confident	33 Å²	33	96.1 Å²	96.1	13%	0.129	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-13	-174.4	-58.1	-74.4	0	0	0	113.8	E199 L200 D203 F269 T271 S272 L278	E199-Y274 PolarHBondContact O-OH 3.34Å; L200-Y274 WeakPolarHBondContact CA-OH 3.36Å; L200-Y274 HydrophobicContact CB-CD1 4.47Å; L200-Y274 HydrophobicContact CB-CE1 3.97Å; L200-Y274 HydrophobicContact CD1-CD1 4.43Å; L200-Y274 HydrophobicContact CD1-CD2 3.73Å; L200-Y274 HydrophobicContact CD1-CE1 4.31Å; L200-Y274 HydrophobicContact CD1-CE2 3.59Å; L200-Y274 HydrophobicContact CD1-CG 4.16Å; D203-Y274 PolarHBondContact OD2-OH 3.24Å; F269-Y274 HydrophobicContact CE1-CD2 4.49Å; F269-Y274 HydrophobicContact CE1-CE2 4.41Å; F269-Y274 HydrophobicContact CZ-CE2 4.45Å; T271-Y274 PolarHBondContact O-N 2.89Å; S272-Y274 PolarHBondContact O-N 3.41Å; Y274-L278 WeakPolarHBondContact O-CD2 3.32Å
275	M	82.1	Confident	85.6	Confident	147 Å²	147	91.8 Å²	91.8	72%	0.724	47%	0.468	S	S	*	.	S	Bend	trans	-94.2	0.9	-179.3	-72.6	-68.4	-61.5	0	0	114.1	T271	T271-M275 HydrophobicContact CG2-CG 3.78Å; T271-M275 WeakPolarHBondContact O-CG 3.35Å; T271-M275 PolarHBondContact O-N 2.91Å; T271-M275 VanDerWaalsContact O-N 3.1Å
276	G	82.8	Confident	85.7	Confident	34 Å²	34	88.7 Å²	88.7	35%	0.351	45%	0.447	S	S	.	.	S	Bend	trans	-61.6	-179.2	176.1	0	0	0	0	0	113.2	L278	G276-L278 PolarHBondContact O-N 2.99Å
277	P	88.4	Confident	85.4	Confident	90 Å²	90	80.5 Å²	80.5	58%	0.584	42%	0.416	S	S	*	.			trans	-71.3	75.4	-179.3	32	-36.8	0	0	0	111.3	Q279 Y280 T281	P277-Q279 VanDerWaalsContact C-N 3.32Å; P277-Q279 PolarHBondContact O-N 3.36Å; P277-Y280 WeakPolarHBondContact O-CB 3.2Å; P277-Y280 PolarHBondContact O-N 2.95Å; P277-T281 PolarHBondContact O-N 3Å; P277-T281 PolarHBondContact O-OG1 2.91Å
278	L	85.3	Confident	85	Confident	71 Å²	71	82.3 Å²	82.3	37%	0.372	42%	0.424	S	S	.	.	H	α-helix	trans	-53.4	-46.8	-170.1	-69	-176.2	0	0	0	112.7	M196 Y274 G276 Y280 T281 I282	M196-L278 HydrophobicContact CE-CD2 3.4Å; Y274-L278 WeakPolarHBondContact O-CD2 3.32Å; G276-L278 PolarHBondContact O-N 2.99Å; L278-Y280 VanDerWaalsContact C-N 3.29Å; L278-Y280 PolarHBondContact O-N 3.34Å; L278-T281 PolarHBondContact O-N 2.89Å; L278-I282 WeakPolarHBondContact O-CB 3.37Å; L278-I282 WeakPolarHBondContact O-CD1 3.46Å; L278-I282 WeakPolarHBondContact O-CG1 3.42Å; L278-I282 PolarHBondContact O-N 3.34Å
279	Q	86.3	Confident	84.8	Confident	172 Å²	172	79.5 Å²	79.5	80%	0.804	41%	0.409	S	S	*	.	H	α-helix	trans	-59.8	-40.9	179.2	-66.4	179.8	-9.1	0	0	111.9	P277 I282 W283	P277-Q279 VanDerWaalsContact C-N 3.32Å; P277-Q279 PolarHBondContact O-N 3.36Å; Q279-I282 PolarHBondContact O-N 3.35Å; Q279-W283 VanDerWaalsContact O-CB 3.31Å; Q279-W283 WeakPolarHBondContact O-CB 3.4Å; Q279-W283 PolarHBondContact O-N 2.98Å
280	Y	86.8	Confident	84.4	Confident	120 Å²	120	79.7 Å²	79.7	47%	0.471	41%	0.413	S	S	.	.	H	α-helix	trans	-70.7	-40.1	178.5	-175.4	-106.5	0	0	0	111.9	P277 L278 I282 W283 K284	P277-Y280 WeakPolarHBondContact O-CB 3.2Å; P277-Y280 PolarHBondContact O-N 2.95Å; L278-Y280 VanDerWaalsContact C-N 3.29Å; L278-Y280 PolarHBondContact O-N 3.34Å; Y280-I282 VanDerWaalsContact C-N 3.34Å; Y280-I282 PolarHBondContact O-N 3.28Å; Y280-W283 AromaticContact CD2-CE3 3.89Å; Y280-W283 HydrophobicContact CD2-CE3 3.89Å; Y280-W283 HydrophobicContact CD2-CZ3 4.3Å; Y280-W283 AromaticContact CE2-CE3 3.63Å; Y280-W283 HydrophobicContact CE2-CE3 3.63Å; Y280-W283 AromaticContact CE2-CZ3 3.57Å; Y280-W283 HydrophobicContact CE2-CZ3 3.57Å; Y280-W283 PolarHBondContact O-N 2.88Å; Y280-K284 HydrophobicContact CD1-CG 4.41Å; Y280-K284 HydrophobicContact CE1-CD 3.88Å; Y280-K284 VanDerWaalsContact CE1-CE 3.43Å; Y280-K284 HydrophobicContact CE1-CG 3.98Å; Y280-K284 VanDerWaalsContact CZ-CE 3.46Å; Y280-K284 PolarHBondContact O-N 3.05Å; Y280-K284 WeakPolarHBondContact OH-CE 3.47Å
281	T	85.1	Confident	84.1	Confident	59 Å²	59	81.5 Å²	81.5	36%	0.362	43%	0.426	S	S	.	.	H	α-helix	trans	-60.9	-44.5	174	-57.2	0	0	0	0	111.1	P277 L278 K284 S285	P277-T281 PolarHBondContact O-N 3Å; P277-T281 PolarHBondContact O-OG1 2.91Å; L278-T281 PolarHBondContact O-N 2.89Å; T281-K284 PolarHBondContact O-N 2.89Å; T281-S285 PolarHBondContact O-N 3.36Å; T281-S285 PolarHBondContact O-OG 3.37Å; T281-S285 VanDerWaalsContact O-OG 3.06Å
282	I	87.9	Confident	84.1	Confident	45 Å²	45	79.3 Å²	79.3	23%	0.231	41%	0.414	C	S	.	.	H	α-helix	trans	-61.5	-46.7	175.8	-67.2	163.1	0	0	0	110.1	F188 L189 R192 L278 Q279 Y280 K284 S285 L286	F188-I282 HydrophobicContact CE1-CG2 3.97Å; L189-I282 HydrophobicContact CD2-CG2 3.51Å; R192-I282 HydrophobicContact CG-CG1 4.32Å; L278-I282 WeakPolarHBondContact O-CB 3.37Å; L278-I282 WeakPolarHBondContact O-CD1 3.46Å; L278-I282 WeakPolarHBondContact O-CG1 3.42Å; L278-I282 PolarHBondContact O-N 3.34Å; Q279-I282 PolarHBondContact O-N 3.35Å; Y280-I282 VanDerWaalsContact C-N 3.34Å; Y280-I282 PolarHBondContact O-N 3.28Å; I282-K284 PolarHBondContact O-N 2.97Å; I282-S285 WeakPolarHBondContact CA-OG 3.44Å; I282-S285 PolarHBondContact O-N 2.97Å; I282-S285 PolarHBondContact O-OG 3.5Å; I282-L286 WeakPolarHBondContact O-CB 3.43Å; I282-L286 PolarHBondContact O-N 3.49Å
283	W	85.2	Confident	83.9	Confident	121 Å²	121	77.1 Å²	77.1	46%	0.458	40%	0.395	S	S	.	.	H	α-helix	trans	-59.5	-42.8	177	177.4	84	0	0	0	112.6	Q279 Y280 L286 F287	Q279-W283 VanDerWaalsContact O-CB 3.31Å; Q279-W283 WeakPolarHBondContact O-CB 3.4Å; Q279-W283 PolarHBondContact O-N 2.98Å; Y280-W283 AromaticContact CD2-CE3 3.89Å; Y280-W283 HydrophobicContact CD2-CE3 3.89Å; Y280-W283 HydrophobicContact CD2-CZ3 4.3Å; Y280-W283 AromaticContact CE2-CE3 3.63Å; Y280-W283 HydrophobicContact CE2-CE3 3.63Å; Y280-W283 AromaticContact CE2-CZ3 3.57Å; Y280-W283 HydrophobicContact CE2-CZ3 3.57Å; Y280-W283 PolarHBondContact O-N 2.88Å; W283-L286 WeakPolarHBondContact O-CB 3.28Å; W283-L286 PolarHBondContact O-N 3.44Å; W283-L286 VanDerWaalsContact O-N 3.17Å; W283-F287 HydrophobicContact CD2-CD2 4.41Å; W283-F287 AromaticContact CD2-CE2 3.64Å; W283-F287 HydrophobicContact CD2-CE2 3.64Å; W283-F287 AromaticContact CE2-CE2 3.34Å; W283-F287 AromaticContact CE2-CZ 3.79Å; W283-F287 HydrophobicContact CE3-CD2 4.41Å; W283-F287 AromaticContact CE3-CE2 3.74Å; W283-F287 HydrophobicContact CE3-CE2 3.74Å; W283-F287 HydrophobicContact CG-CE2 4.5Å; W283-F287 AromaticContact CH2-CE2 3.34Å; W283-F287 HydrophobicContact CH2-CE2 3.34Å; W283-F287 AromaticContact CH2-CZ 3.65Å; W283-F287 HydrophobicContact CH2-CZ 3.65Å; W283-F287 AromaticContact CZ2-CE2 3.23Å; W283-F287 HydrophobicContact CZ2-CE2 3.23Å; W283-F287 AromaticContact CZ2-CZ 3.34Å; W283-F287 HydrophobicContact CZ2-CZ 3.34Å; W283-F287 HydrophobicContact CZ3-CD2 4.46Å; W283-F287 AromaticContact CZ3-CE2 3.58Å; W283-F287 HydrophobicContact CZ3-CE2 3.58Å; W283-F287 HydrophobicContact CZ3-CZ 4.35Å; W283-F287 AromaticContact NE1-CE2 3.98Å; W283-F287 VanDerWaalsContact O-CD2 3.31Å; W283-F287 WeakPolarHBondContact O-CD2 3.42Å; W283-F287 PolarHBondContact O-N 3.44Å
284	K	84.8	Confident	83.9	Confident	77 Å²	77	73.8 Å²	73.8	34%	0.335	38%	0.384	S	S	.	.	H	α-helix	trans	-61.6	-43.7	174.3	-83.9	-152.9	169.1	-146.5	0	112.3	Y280 T281 I282 L286 F287 L476	Y280-K284 HydrophobicContact CD1-CG 4.41Å; Y280-K284 HydrophobicContact CE1-CD 3.88Å; Y280-K284 VanDerWaalsContact CE1-CE 3.43Å; Y280-K284 HydrophobicContact CE1-CG 3.98Å; Y280-K284 VanDerWaalsContact CZ-CE 3.46Å; Y280-K284 PolarHBondContact O-N 3.05Å; Y280-K284 WeakPolarHBondContact OH-CE 3.47Å; T281-K284 PolarHBondContact O-N 2.89Å; I282-K284 PolarHBondContact O-N 2.97Å; K284-L286 VanDerWaalsContact C-N 3.28Å; K284-L286 PolarHBondContact O-N 3.42Å; K284-F287 PolarHBondContact O-N 2.91Å; K284-L476 PolarHBondContact NZ-OXT 2.89Å
285	S	84.5	Confident	83.8	Confident	20 Å²	20	73.4 Å²	73.4	14%	0.14	39%	0.387	C	S	.	.	H	α-helix	trans	-65.8	-32.6	174.6	44.1	0	0	0	0	112.5	F188 T281 I282 F287 Q288	F188-S285 WeakPolarHBondContact CZ-OG 3.47Å; T281-S285 PolarHBondContact O-N 3.36Å; T281-S285 PolarHBondContact O-OG 3.37Å; T281-S285 VanDerWaalsContact O-OG 3.06Å; I282-S285 WeakPolarHBondContact CA-OG 3.44Å; I282-S285 PolarHBondContact O-N 2.97Å; I282-S285 PolarHBondContact O-OG 3.5Å; S285-F287 PolarHBondContact O-N 3.35Å; S285-Q288 PolarHBondContact O-N 2.96Å; S285-Q288 VanDerWaalsContact O-N 3.15Å
286	L	85.5	Confident	84	Confident	33 Å²	33	70.3 Å²	70.3	17%	0.173	39%	0.385	C	S	.	.	H	α-helix	trans	-62.2	-29.9	-178.8	-178.5	65.7	0	0	0	112.6	L185 F188 I282 W283 K284 Q288 D289 I290	L185-L286 HydrophobicContact CD2-CD1 3.41Å; L185-L286 VanDerWaalsContact CD2-CD1 3.41Å; L185-L286 HydrophobicContact CD2-CD2 4.25Å; L185-L286 HydrophobicContact CD2-CG 4.26Å; F188-L286 HydrophobicContact CD1-CB 4.44Å; F188-L286 HydrophobicContact CD1-CD1 3.45Å; F188-L286 VanDerWaalsContact CD1-CD1 3.45Å; F188-L286 HydrophobicContact CE1-CB 3.72Å; F188-L286 HydrophobicContact CE1-CD1 3.62Å; F188-L286 HydrophobicContact CE1-CG 4.25Å; F188-L286 HydrophobicContact CG-CD1 4.05Å; F188-L286 HydrophobicContact CZ-CB 4.01Å; F188-L286 HydrophobicContact CZ-CD1 4.33Å; I282-L286 WeakPolarHBondContact O-CB 3.43Å; I282-L286 PolarHBondContact O-N 3.49Å; W283-L286 WeakPolarHBondContact O-CB 3.28Å; W283-L286 PolarHBondContact O-N 3.44Å; W283-L286 VanDerWaalsContact O-N 3.17Å; K284-L286 VanDerWaalsContact C-N 3.28Å; K284-L286 PolarHBondContact O-N 3.42Å; L286-Q288 PolarHBondContact O-N 3.01Å; L286-D289 CarbonylContact O-C 3.54Å; L286-D289 WeakPolarHBondContact O-CA 3.4Å; L286-D289 PolarHBondContact O-N 2.99Å; L286-I290 HydrophobicContact CD2-CD1 4.18Å; L286-I290 HydrophobicContact CG-CD1 3.91Å; L286-I290 HydrophobicContact CG-CG1 4.14Å; L286-I290 WeakPolarHBondContact O-CG1 3.45Å; L286-I290 PolarHBondContact O-N 2.96Å
287	F	79.3	Confident	84.5	Confident	27 Å²	27	69 Å²	69	12%	0.118	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-57.6	-32.6	176.6	-84.6	-82.6	0	0	0	114	W283 K284 S285 D289 I290 V293 V474 L476	W283-F287 HydrophobicContact CD2-CD2 4.41Å; W283-F287 AromaticContact CD2-CE2 3.64Å; W283-F287 HydrophobicContact CD2-CE2 3.64Å; W283-F287 AromaticContact CE2-CE2 3.34Å; W283-F287 AromaticContact CE2-CZ 3.79Å; W283-F287 HydrophobicContact CE3-CD2 4.41Å; W283-F287 AromaticContact CE3-CE2 3.74Å; W283-F287 HydrophobicContact CE3-CE2 3.74Å; W283-F287 HydrophobicContact CG-CE2 4.5Å; W283-F287 AromaticContact CH2-CE2 3.34Å; W283-F287 HydrophobicContact CH2-CE2 3.34Å; W283-F287 AromaticContact CH2-CZ 3.65Å; W283-F287 HydrophobicContact CH2-CZ 3.65Å; W283-F287 AromaticContact CZ2-CE2 3.23Å; W283-F287 HydrophobicContact CZ2-CE2 3.23Å; W283-F287 AromaticContact CZ2-CZ 3.34Å; W283-F287 HydrophobicContact CZ2-CZ 3.34Å; W283-F287 HydrophobicContact CZ3-CD2 4.46Å; W283-F287 AromaticContact CZ3-CE2 3.58Å; W283-F287 HydrophobicContact CZ3-CE2 3.58Å; W283-F287 HydrophobicContact CZ3-CZ 4.35Å; W283-F287 AromaticContact NE1-CE2 3.98Å; W283-F287 VanDerWaalsContact O-CD2 3.31Å; W283-F287 WeakPolarHBondContact O-CD2 3.42Å; W283-F287 PolarHBondContact O-N 3.44Å; K284-F287 PolarHBondContact O-N 2.91Å; S285-F287 PolarHBondContact O-N 3.35Å; F287-D289 PolarHBondContact O-N 3.32Å; F287-I290 PolarHBondContact O-N 3.17Å; F287-V293 HydrophobicContact CD1-CG2 4.07Å; F287-V474 HydrophobicContact CE1-CG1 4.06Å; F287-V474 HydrophobicContact CZ-CG1 4.3Å; F287-L476 HydrophobicContact CB-CD1 4.36Å; F287-L476 HydrophobicContact CB-CD2 3.69Å; F287-L476 HydrophobicContact CD1-CD2 4.36Å; F287-L476 HydrophobicContact CD2-CD2 3.89Å; F287-L476 HydrophobicContact CG-CD2 3.73Å
288	Q	76.9	Confident	84.9	Confident	165 Å²	165	67.4 Å²	67.4	77%	0.771	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-69.2	-24.8	178	-61.9	-180	-10.9	0	0	111.4	S285 L286	S285-Q288 PolarHBondContact O-N 2.96Å; S285-Q288 VanDerWaalsContact O-N 3.15Å; L286-Q288 PolarHBondContact O-N 3.01Å
289	D	80.2	Confident	85.5	Confident	69 Å²	69	64.1 Å²	64.1	37%	0.369	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-103.9	13.4	-179.6	-71	-55.6	0	0	0	113.3	R184 F188 L286 F287	R184-D289 PolarHBondContact NE-O 3.22Å; R184-D289 VanDerWaalsContact NH2-C 3.26Å; R184-D289 PolarHBondContact NH2-O 3.04Å; F188-D289 HydrophobicContact CD2-CB 4.17Å; F188-D289 WeakPolarHBondContact CD2-OD2 3.44Å; F188-D289 WeakPolarHBondContact CE2-OD2 3.44Å; L286-D289 CarbonylContact O-C 3.54Å; L286-D289 WeakPolarHBondContact O-CA 3.4Å; L286-D289 PolarHBondContact O-N 2.99Å; F287-D289 PolarHBondContact O-N 3.32Å
290	I	81.3	Confident	85.9	Confident	65 Å²	65	57.2 Å²	57.2	33%	0.333	31%	0.31	S	S	.	.			trans	-101.8	135.4	171.3	-69.6	166.9	0	0	0	109.5	L286 F287	L286-I290 HydrophobicContact CD2-CD1 4.18Å; L286-I290 HydrophobicContact CG-CD1 3.91Å; L286-I290 HydrophobicContact CG-CG1 4.14Å; L286-I290 WeakPolarHBondContact O-CG1 3.45Å; L286-I290 PolarHBondContact O-N 2.96Å; F287-I290 PolarHBondContact O-N 3.17Å
291	S	81.1	Confident	86.3	Confident	88 Å²	88	54.5 Å²	54.5	62%	0.615	31%	0.307	S	S	*	.	S	Bend	trans	-143.6	128.5	176.6	179.7	0	0	0	0	111.2
292	P	84.7	Confident	86.7	Confident	31 Å²	31	55 Å²	55	20%	0.201	31%	0.307	C	S	.	.	S	Bend	cis	-72	139.9	-8.4	32.9	-37.2	0	0	0	111.3	V350 Y419	P292-V350 HydrophobicContact CB-CG1 4.47Å; P292-V350 HydrophobicContact CG-CG1 3.96Å; P292-Y419 HydrophobicContact CG-CD2 4.05Å; P292-Y419 HydrophobicContact CG-CE2 3.8Å
293	V	82.9	Confident	87.1	Confident	58 Å²	58	53 Å²	53	35%	0.352	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-80.4	151.5	163.4	66.1	0	0	0	0	108.7	F287 A295	F287-V293 HydrophobicContact CD1-CG2 4.07Å; V293-A295 PolarHBondContact O-N 2.81Å; V293-A295 VanDerWaalsContact O-N 3.1Å
294	P	85	Confident	87.5	Confident	25 Å²	25	47.2 Å²	47.2	16%	0.162	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-49.9	119.7	170.5	-27.7	33.4	0	0	0	111.7	Y352 V474	P294-Y352 CarbonylContact C-O 3.59Å; P294-Y352 VanDerWaalsContact CA-O 3.3Å; P294-Y352 WeakPolarHBondContact CA-O 3.41Å; P294-Y352 HydrophobicContact CB-CD1 4.26Å; P294-Y352 HydrophobicContact CG-CD1 3.77Å; P294-Y352 HydrophobicContact CG-CE1 3.87Å; P294-V474 HydrophobicContact CB-CG2 4.2Å; P294-V474 HydrophobicContact CG-CG2 4.15Å
295	A	83.7	Confident	87.9	Confident	24 Å²	24	44 Å²	44	20%	0.198	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-68.6	137	-179.3	0	0	0	0	0	110.3	V293 L297 Y352	V293-A295 PolarHBondContact O-N 2.81Å; V293-A295 VanDerWaalsContact O-N 3.1Å; A295-L297 VanDerWaalsContact C-N 3.29Å; A295-L297 HydrophobicContact CB-CD2 3.79Å; A295-L297 HydrophobicContact CB-CG 4.2Å; A295-L297 PolarHBondContact O-N 3.4Å; A295-Y352 WeakPolarHBondContact CB-O 3.42Å; A295-Y352 PolarHBondContact N-O 3.4Å
296	A	86.7	Confident	88.3	Confident	83 Å²	83	47 Å²	47	69%	0.686	27%	0.273	S	S	*	.			trans	-76.2	82.8	173	0	0	0	0	0	109.6
297	L	93.1	Very high	88.5	Confident	5 Å²	5	50.7 Å²	50.7	3%	0.026	29%	0.285	C	S	.	.			trans	-83	147.9	-179.2	-56.8	-174.7	0	0	0	112.3	A295 F346 W353 P452 F454 I471	A295-L297 VanDerWaalsContact C-N 3.29Å; A295-L297 HydrophobicContact CB-CD2 3.79Å; A295-L297 HydrophobicContact CB-CG 4.2Å; A295-L297 PolarHBondContact O-N 3.4Å; L297-F346 HydrophobicContact CD2-CE2 4.49Å; L297-F346 HydrophobicContact CD2-CZ 3.77Å; L297-W353 HydrophobicContact CD1-CB 3.6Å; L297-W353 HydrophobicContact CD1-CD2 3.58Å; L297-W353 HydrophobicContact CD1-CE3 4.23Å; L297-W353 HydrophobicContact CD1-CG 3.27Å; L297-W353 HydrophobicContact CG-CB 4.08Å; L297-W353 HydrophobicContact CG-CG 4.26Å; L297-P452 HydrophobicContact CD1-CB 4.09Å; L297-P452 HydrophobicContact CD1-CG 3.77Å; L297-P452 HydrophobicContact CD2-CG 4.49Å; L297-F454 HydrophobicContact CD1-CZ 4.35Å; L297-I471 HydrophobicContact CB-CD1 3.99Å; L297-I471 HydrophobicContact CB-CG2 4Å
298	T	96.4	Very high	89.2	Confident	57 Å²	57	49.5 Å²	49.5	35%	0.35	28%	0.279	S	S	.	.			trans	-125.8	154.1	167	54.7	0	0	0	0	110	C314 G342 A343	T298-C314 CarbonylContact C-O 3.54Å; T298-C314 WeakPolarHBondContact CA-O 3.39Å; T298-G342 CarbonylContact O-C 3.55Å; T298-G342 VanDerWaalsContact O-CA 3.3Å; T298-G342 WeakPolarHBondContact O-CA 3.27Å; T298-A343 PolarHBondContact O-N 3.47Å
299	L	97.3	Very high	89.9	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.016	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-85.4	146.6	177.4	-59.7	170.2	0	0	0	110.2	P301 L310 C314 V317 V340 F454 I471	L299-P301 VanDerWaalsContact O-CD 3.29Å; L299-P301 WeakPolarHBondContact O-CD 3.27Å; L299-L310 HydrophobicContact CB-CD2 3.77Å; L299-L310 HydrophobicContact CD1-CD2 4.23Å; L299-L310 HydrophobicContact CD1-CG 4.31Å; L299-C314 HydrophobicContact CB-CB 4.37Å; L299-C314 WeakPolarHBondContact CB-O 3.14Å; L299-C314 VanDerWaalsContact CG-O 3.25Å; L299-C314 WeakPolarHBondContact CG-O 3.39Å; L299-C314 PolarHBondContact N-O 3.06Å; L299-V317 HydrophobicContact CD1-CB 3.64Å; L299-V317 HydrophobicContact CD1-CG1 3.99Å; L299-V340 HydrophobicContact CB-CG2 4.2Å; L299-V340 HydrophobicContact CD2-CG1 3.92Å; L299-F454 HydrophobicContact CD2-CD2 3.32Å; L299-F454 HydrophobicContact CD2-CE2 3.54Å; L299-F454 HydrophobicContact CD2-CG 3.96Å; L299-F454 HydrophobicContact CD2-CZ 4.34Å; L299-I471 HydrophobicContact CD2-CD1 3.92Å; L299-I471 HydrophobicContact CG-CD1 3.98Å
300	D	96.1	Very high	90.5	Very high	26 Å²	26	43.9 Å²	43.9	14%	0.139	25%	0.254	C	S	.	.			trans	-92.4	106.9	174.5	-173.3	-13.3	0	0	0	111.1	I302 T303 A304 V340 L341 A343	D300-I302 PolarHBondContact O-N 3.39Å; D300-I302 VanDerWaalsContact O-N 3.12Å; D300-I302 VanDerWaalsContact OD1-CB 3.22Å; D300-I302 WeakPolarHBondContact OD1-CB 3.46Å; D300-I302 WeakPolarHBondContact OD1-CG1 3.47Å; D300-I302 PolarHBondContact OD1-N 2.97Å; D300-T303 HydrophobicContact CB-CG2 3.96Å; D300-T303 PolarHBondContact O-N 3.31Å; D300-T303 PolarHBondContact O-OG1 3.26Å; D300-T303 WeakPolarHBondContact OD2-CG2 3.45Å; D300-A304 PolarHBondContact O-N 3.43Å; D300-V340 WeakPolarHBondContact O-CG2 3.45Å; D300-L341 PolarHBondContact N-O 2.76Å; D300-A343 HydrophobicContact CB-CB 4.35Å
301	P	94.6	Very high	91.2	Very high	64 Å²	64	42.2 Å²	42.2	42%	0.416	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.9	179.7	-20.5	33.8	0	0	0	113.9	L299 T303 L310 R333	L299-P301 VanDerWaalsContact O-CD 3.29Å; L299-P301 WeakPolarHBondContact O-CD 3.27Å; P301-T303 VanDerWaalsContact C-N 3.27Å; P301-T303 PolarHBondContact O-N 2.89Å; P301-L310 HydrophobicContact CB-CD2 4.25Å; P301-L310 HydrophobicContact CG-CD2 4.08Å; P301-R333 PolarHBondContact O-NH1 3.36Å; P301-R333 VanDerWaalsContact O-NH1 3.13Å
302	I	94	Very high	91.8	Very high	69 Å²	69	46.3 Å²	46.3	35%	0.354	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-27	179.4	-55.5	176.7	0	0	0	110.7	D300 S330 R332	D300-I302 PolarHBondContact O-N 3.39Å; D300-I302 VanDerWaalsContact O-N 3.12Å; D300-I302 VanDerWaalsContact OD1-CB 3.22Å; D300-I302 WeakPolarHBondContact OD1-CB 3.46Å; D300-I302 WeakPolarHBondContact OD1-CG1 3.47Å; D300-I302 PolarHBondContact OD1-N 2.97Å; I302-S330 VanDerWaalsContact CG2-OG 3.29Å; I302-S330 WeakPolarHBondContact CG2-OG 3.34Å; I302-R332 VanDerWaalsContact CD1-NH2 3.34Å; I302-R332 HydrophobicContact CG2-CB 4.19Å
303	T	95.4	Very high	92.2	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-24.2	178.6	70.9	0	0	0	0	113.3	D300 P301 H305 R332 R333 F334 L341	D300-T303 HydrophobicContact CB-CG2 3.96Å; D300-T303 PolarHBondContact O-N 3.31Å; D300-T303 PolarHBondContact O-OG1 3.26Å; D300-T303 WeakPolarHBondContact OD2-CG2 3.45Å; P301-T303 VanDerWaalsContact C-N 3.27Å; P301-T303 PolarHBondContact O-N 2.89Å; T303-H305 PolarHBondContact O-N 3.03Å; T303-R332 WeakPolarHBondContact CA-O 3.33Å; T303-R333 WeakPolarHBondContact O-CA 3.46Å; T303-F334 WeakPolarHBondContact O-CD2 3.41Å; T303-F334 PolarHBondContact O-N 2.93Å; T303-L341 HydrophobicContact CG2-CB 4.21Å; T303-L341 HydrophobicContact CG2-CD1 4.33Å; T303-L341 HydrophobicContact CG2-CG 4.45Å; T303-L341 PolarHBondContact OG1-N 3.42Å
304	A	94.8	Very high	92.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	26%	0.26	C	S	.	.	S	Bend	trans	-60.3	131.5	-171.4	0	0	0	0	0	113.2	D300 L308 L310 R333 V340	D300-A304 PolarHBondContact O-N 3.43Å; A304-L308 HydrophobicContact CB-CB 4.44Å; A304-L308 HydrophobicContact CB-CD1 4.4Å; A304-L310 HydrophobicContact CB-CD1 3.73Å; A304-R333 WeakPolarHBondContact O-CD 3.44Å; A304-R333 WeakPolarHBondContact O-CG 3.36Å; A304-R333 PolarHBondContact O-NH1 3.25Å; A304-V340 HydrophobicContact CB-CB 3.98Å; A304-V340 HydrophobicContact CB-CG2 3.67Å
305	H	93.5	Very high	93.3	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.046	26%	0.255	C	S	.	.			trans	-54.6	145.3	171.1	176.7	-91.6	0	0	0	112.3	T303 R307 L308 F334 D335 E337 S339	T303-H305 PolarHBondContact O-N 3.03Å; H305-R307 PolarHBondContact ND1-N 3.48Å; H305-R307 VanDerWaalsContact ND1-N 3.13Å; H305-R307 PolarHBondContact O-N 2.97Å; H305-L308 HydrophobicContact CB-CD1 4.11Å; H305-L308 HydrophobicContact CB-CG 4.11Å; H305-L308 WeakPolarHBondContact O-CB 3.34Å; H305-L308 PolarHBondContact O-N 2.9Å; H305-F334 WeakPolarHBondContact CA-O 3.26Å; H305-F334 HydrophobicContact CB-CB 4.24Å; H305-F334 PolarHBondContact CD2-O 3.43Å; H305-D335 PolarHBondContact CD2-O 3.5Å; H305-D335 PolarHBondContact NE2-O 2.86Å; H305-E337 WeakPolarHBondContact CB-O 3.24Å; H305-E337 PolarHBondContact CD2-O 3.2Å; H305-S339 PolarHBondContact N-O 2.78Å
306	Q	91.1	Very high	93.8	Very high	81 Å²	81	46.2 Å²	46.2	38%	0.379	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.8	-172.8	60.7	178.3	-14.4	0	0	116	P324 Q325	Q306-P324 HydrophobicContact CB-CB 4.27Å; Q306-P324 HydrophobicContact CG-CB 4.18Å; Q306-Q325 PolarHBondContact O-N 3.47Å; Q306-Q325 VanDerWaalsContact O-N 3.13Å
307	R	90.7	Very high	94.2	Very high	112 Å²	112	42.3 Å²	42.3	42%	0.423	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-1.1	174.3	-65.6	-170.7	-175	-176.4	2.9	113.5	H305 Y319 G320	H305-R307 PolarHBondContact ND1-N 3.48Å; H305-R307 VanDerWaalsContact ND1-N 3.13Å; H305-R307 PolarHBondContact O-N 2.97Å; R307-Y319 HydrophobicContact CB-CD2 4.34Å; R307-Y319 HydrophobicContact CB-CE2 3.86Å; R307-Y319 WeakPolarHBondContact CD-OH 3.43Å; R307-Y319 PolarHBondContact NH1-OH 2.87Å; R307-G320 WeakPolarHBondContact O-CA 3.27Å; R307-G320 PolarHBondContact O-N 3.28Å
308	L	92.9	Very high	94.2	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	140.9	176.8	-64.6	-179	0	0	0	110.4	A304 H305 L310 V317 A318 Q325 V338 S339 V340 P456	A304-L308 HydrophobicContact CB-CB 4.44Å; A304-L308 HydrophobicContact CB-CD1 4.4Å; H305-L308 HydrophobicContact CB-CD1 4.11Å; H305-L308 HydrophobicContact CB-CG 4.11Å; H305-L308 WeakPolarHBondContact O-CB 3.34Å; H305-L308 PolarHBondContact O-N 2.9Å; L308-L310 HydrophobicContact CB-CD1 4.21Å; L308-V317 HydrophobicContact CB-CG2 4.01Å; L308-V317 HydrophobicContact CD1-CG2 3.97Å; L308-V317 HydrophobicContact CD2-CG2 3.97Å; L308-V317 HydrophobicContact CG-CG2 4.21Å; L308-A318 WeakPolarHBondContact CA-O 3.29Å; L308-Q325 PolarHBondContact O-NE2 2.86Å; L308-V338 HydrophobicContact CD2-CG1 3.64Å; L308-V338 HydrophobicContact CG-CG1 4.38Å; L308-S339 VanDerWaalsContact CD1-C 3.45Å; L308-S339 VanDerWaalsContact CD1-O 3.29Å; L308-S339 WeakPolarHBondContact CD1-O 3.14Å; L308-V340 HydrophobicContact CD1-CB 3.94Å; L308-V340 HydrophobicContact CD1-CG1 4.14Å; L308-P456 HydrophobicContact CD2-CG 3.5Å; L308-P456 VanDerWaalsContact CD2-CG 3.5Å
309	I	92.2	Very high	94	Very high	81 Å²	81	41.4 Å²	41.4	42%	0.415	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.5	173	-53.3	179.2	0	0	0	106.9	V317 A318	I309-V317 WeakPolarHBondContact O-CA 3.1Å; I309-A318 PolarHBondContact N-O 2.94Å; I309-A318 PolarHBondContact O-N 3.25Å
310	L	94.2	Very high	93.5	Very high	36 Å²	36	41.6 Å²	41.6	19%	0.188	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	148.3	178.5	-70.1	75.5	0	0	0	109.3	L299 P301 A304 L308 I316	L299-L310 HydrophobicContact CB-CD2 3.77Å; L299-L310 HydrophobicContact CD1-CD2 4.23Å; L299-L310 HydrophobicContact CD1-CG 4.31Å; P301-L310 HydrophobicContact CB-CD2 4.25Å; P301-L310 HydrophobicContact CG-CD2 4.08Å; A304-L310 HydrophobicContact CB-CD1 3.73Å; L308-L310 HydrophobicContact CB-CD1 4.21Å; L310-I316 VanDerWaalsContact CA-O 3.3Å; L310-I316 WeakPolarHBondContact CA-O 3.31Å
311	S	94.6	Very high	92.3	Very high	30 Å²	30	45.8 Å²	45.8	21%	0.21	24%	0.243	C	C	.	.			trans	-68.8	160.4	167.1	54.7	0	0	0	0	111.6	D313 C314 T315 I316	S311-D313 WeakPolarHBondContact CB-OD1 3.1Å; S311-D313 PolarHBondContact O-N 2.72Å; S311-D313 PolarHBondContact OG-OD1 3.47Å; S311-C314 WeakPolarHBondContact O-CA 3.17Å; S311-C314 PolarHBondContact O-N 3.26Å; S311-T315 PolarHBondContact OG-N 3.33Å; S311-I316 PolarHBondContact N-O 3.15Å; S311-I316 VanDerWaalsContact N-O 3.08Å; S311-I316 WeakPolarHBondContact OG-CB 3.46Å; S311-I316 PolarHBondContact OG-N 3.25Å
312	D	93.3	Very high	90.9	Very high	174 Å²	174	50.1 Å²	50.1	93%	0.93	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-35.5	177.2	-61.2	-20.5	0	0	0	112.6	C314	D312-C314 VanDerWaalsContact C-N 3.26Å; D312-C314 PolarHBondContact O-N 2.96Å
313	D	93.6	Very high	89.4	Confident	60 Å²	60	55.4 Å²	55.4	32%	0.321	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2.6	176.7	71.9	-4.2	0	0	0	113.9	S311 T315 R475	S311-D313 WeakPolarHBondContact CB-OD1 3.1Å; S311-D313 PolarHBondContact O-N 2.72Å; S311-D313 PolarHBondContact OG-OD1 3.47Å; D313-T315 HydrophobicContact CB-CG2 4.46Å; D313-T315 WeakPolarHBondContact O-CG2 3.5Å; D313-T315 PolarHBondContact O-N 2.92Å; D313-T315 PolarHBondContact OD1-N 2.68Å; D313-T315 VanDerWaalsContact OD1-N 3.17Å; D313-T315 PolarHBondContact OD1-OG1 2.99Å; D313-T315 PolarHBondContact OD2-OG1 3.39Å; D313-R475 IonicContact OD2-NH2 3.1Å; D313-R475 PolarHBondContact OD2-NH2 2.68Å; D313-R475 VanDerWaalsContact OD2-NH2 3.07Å
314	C	95.4	Very high	88	Confident	27 Å²	27	58 Å²	58	18%	0.182	30%	0.301	C	S	.	.	S	Bend	trans	54.9	30.7	-179.5	-63	0	0	0	0	114	T298 L299 S311 D312	T298-C314 CarbonylContact C-O 3.54Å; T298-C314 WeakPolarHBondContact CA-O 3.39Å; L299-C314 HydrophobicContact CB-CB 4.37Å; L299-C314 WeakPolarHBondContact CB-O 3.14Å; L299-C314 VanDerWaalsContact CG-O 3.25Å; L299-C314 WeakPolarHBondContact CG-O 3.39Å; L299-C314 PolarHBondContact N-O 3.06Å; S311-C314 WeakPolarHBondContact O-CA 3.17Å; S311-C314 PolarHBondContact O-N 3.26Å; D312-C314 VanDerWaalsContact C-N 3.26Å; D312-C314 PolarHBondContact O-N 2.96Å
315	T	95.6	Very high	86.7	Confident	8 Å²	8	61.3 Å²	61.3	5%	0.049	32%	0.316	C	S	.	.			trans	-105.4	-10.2	176.7	67.2	0	0	0	0	113.8	S311 D313 I471 T473	S311-T315 PolarHBondContact OG-N 3.33Å; D313-T315 HydrophobicContact CB-CG2 4.46Å; D313-T315 WeakPolarHBondContact O-CG2 3.5Å; D313-T315 PolarHBondContact O-N 2.92Å; D313-T315 PolarHBondContact OD1-N 2.68Å; D313-T315 VanDerWaalsContact OD1-N 3.17Å; D313-T315 PolarHBondContact OD1-OG1 2.99Å; D313-T315 PolarHBondContact OD2-OG1 3.39Å; T315-I471 WeakPolarHBondContact O-CB 3.41Å; T315-I471 PolarHBondContact O-N 3.28Å; T315-T473 HydrophobicContact CG2-CG2 3.77Å
316	I	95.2	Very high	85.4	Confident	40 Å²	40	67.4 Å²	67.4	21%	0.205	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.6	-176.1	-53.6	-179.2	0	0	0	108.9	L310 S311 P468 L469 R470	L310-I316 VanDerWaalsContact CA-O 3.3Å; L310-I316 WeakPolarHBondContact CA-O 3.31Å; S311-I316 PolarHBondContact N-O 3.15Å; S311-I316 VanDerWaalsContact N-O 3.08Å; S311-I316 WeakPolarHBondContact OG-CB 3.46Å; S311-I316 PolarHBondContact OG-N 3.25Å; I316-P468 HydrophobicContact CG2-CB 3.34Å; I316-P468 HydrophobicContact CG2-CG 3.73Å; I316-L469 WeakPolarHBondContact CA-O 3.44Å; I316-R470 HydrophobicContact CD1-CG 4.43Å; I316-R470 HydrophobicContact CG1-CB 4.35Å; I316-R470 HydrophobicContact CG1-CG 3.94Å
317	V	95.3	Very high	84.4	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.012	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.7	172.5	60.5	0	0	0	0	111.9	L299 L308 I309 V340 F454 P456 P468 L469	L299-V317 HydrophobicContact CD1-CB 3.64Å; L299-V317 HydrophobicContact CD1-CG1 3.99Å; L308-V317 HydrophobicContact CB-CG2 4.01Å; L308-V317 HydrophobicContact CD1-CG2 3.97Å; L308-V317 HydrophobicContact CD2-CG2 3.97Å; L308-V317 HydrophobicContact CG-CG2 4.21Å; I309-V317 WeakPolarHBondContact O-CA 3.1Å; V317-V340 HydrophobicContact CB-CG1 4.41Å; V317-V340 HydrophobicContact CG1-CG1 4.26Å; V317-V340 HydrophobicContact CG2-CG1 4.05Å; V317-F454 HydrophobicContact CG1-CB 4.49Å; V317-P456 HydrophobicContact CG2-CG 4.31Å; V317-P468 CarbonylContact O-C 3.55Å; V317-P468 VanDerWaalsContact O-CA 3.24Å; V317-P468 WeakPolarHBondContact O-CA 3.21Å; V317-P468 WeakPolarHBondContact O-CB 3.34Å; V317-L469 HydrophobicContact CG1-CB 3.86Å; V317-L469 HydrophobicContact CG1-CD1 4.4Å; V317-L469 PolarHBondContact N-O 2.88Å; V317-L469 PolarHBondContact O-N 2.94Å
318	A	93.1	Very high	83.6	Confident	21 Å²	21	70.4 Å²	70.4	17%	0.174	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	160	175.4	0	0	0	0	0	111.1	L308 I309 P468	L308-A318 WeakPolarHBondContact CA-O 3.29Å; I309-A318 PolarHBondContact N-O 2.94Å; I309-A318 PolarHBondContact O-N 3.25Å; A318-P468 HydrophobicContact CB-CB 4.02Å
319	Y	91.8	Very high	82.8	Confident	22 Å²	22	76.3 Å²	76.3	9%	0.086	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.3	164.5	-171.4	-98.4	0	0	0	110.1	R307 V338 Q458	R307-Y319 HydrophobicContact CB-CD2 4.34Å; R307-Y319 HydrophobicContact CB-CE2 3.86Å; R307-Y319 WeakPolarHBondContact CD-OH 3.43Å; R307-Y319 PolarHBondContact NH1-OH 2.87Å; Y319-V338 HydrophobicContact CD2-CG1 3.41Å; Y319-V338 VanDerWaalsContact CD2-CG1 3.41Å; Y319-V338 HydrophobicContact CE2-CG1 3.68Å; Y319-V338 HydrophobicContact CE2-CG2 4.08Å; Y319-Q458 HydrophobicContact CE2-CB 4.43Å; Y319-Q458 HydrophobicContact CE2-CG 4.11Å
320	G	85.4	Confident	82.5	Confident	7 Å²	7	73.3 Å²	73.3	7%	0.072	40%	0.395	C	S	.	.			trans	-83.5	126.6	175.6	0	0	0	0	0	111.8	R307	R307-G320 WeakPolarHBondContact O-CA 3.27Å; R307-G320 PolarHBondContact O-N 3.28Å
321	N	71.2	Confident	82.1	Confident	113 Å²	113	76.9 Å²	76.9	60%	0.604	42%	0.421	S	S	*	.	S	Bend	trans	-84.6	-8.9	177.5	-66.7	-21	0	0	0	113.7	S459	N321-S459 VanDerWaalsContact OD1-CB 3.26Å; N321-S459 WeakPolarHBondContact OD1-CB 3.5Å
322	L	65.5	Low	82	Confident	155 Å²	155	81.2 Å²	81.2	81%	0.812	43%	0.433	S	S	*	.	S	Bend	trans	-94.4	174.7	178.7	-63.7	172.7	0	0	0	110.8
323	H	61.9	Low	82	Confident	180 Å²	180	73.9 Å²	73.9	83%	0.833	39%	0.392	S	S	*	.	S	Bend	trans	-49.1	150.8	177.5	-72	-64.8	0	0	0	112.6	Q325	H323-Q325 PolarHBondContact O-N 3.44Å
324	P	66.9	Low	82	Confident	57 Å²	57	71 Å²	71	37%	0.37	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-48	137.7	177.9	-24.7	32.7	0	0	0	110.9	Q306	Q306-P324 HydrophobicContact CB-CB 4.27Å; Q306-P324 HydrophobicContact CG-CB 4.18Å
325	Q	66.6	Low	81.7	Confident	70 Å²	70	72.6 Å²	72.6	33%	0.327	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-59.7	142.8	176.5	-66.2	-165.5	7.2	0	0	109.3	Q306 L308 H323 L327	Q306-Q325 PolarHBondContact O-N 3.47Å; Q306-Q325 VanDerWaalsContact O-N 3.13Å; L308-Q325 PolarHBondContact O-NE2 2.86Å; H323-Q325 PolarHBondContact O-N 3.44Å; Q325-L327 HydrophobicContact CB-CD1 3.93Å; Q325-L327 HydrophobicContact CB-CG 3.74Å; Q325-L327 PolarHBondContact O-N 3.44Å
326	P	66.9	Low	81.5	Confident	138 Å²	138	76.3 Å²	76.3	90%	0.896	41%	0.406	S	S	*	.			trans	-75.1	58.5	177.8	33.6	-35.8	0	0	0	110.3
327	L	70.8	Confident	81.3	Confident	76 Å²	76	76.8 Å²	76.8	40%	0.398	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-86.7	140.7	178.8	-66.3	171.3	0	0	0	109.3	Q325 D329	Q325-L327 HydrophobicContact CB-CD1 3.93Å; Q325-L327 HydrophobicContact CB-CG 3.74Å; Q325-L327 PolarHBondContact O-N 3.44Å; L327-D329 PolarHBondContact O-N 2.98Å
328	Q	72.4	Confident	81.2	Confident	180 Å²	180	77 Å²	77	84%	0.841	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-61.3	131.2	169.7	-169.2	175.4	-12.1	0	0	109.3	R333	Q328-R333 PolarHBondContact O-NH2 2.95Å
329	D	77.6	Confident	81.4	Confident	126 Å²	126	76 Å²	76	67%	0.674	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-66.5	147	179.7	-167.6	20.2	0	0	0	110.8	L327	L327-D329 PolarHBondContact O-N 2.98Å
330	S	84.6	Confident	81.6	Confident	17 Å²	17	75 Å²	75	12%	0.119	40%	0.396	C	S	.	.			trans	-138.5	138.2	-177	169.7	0	0	0	0	109.8	I302 R332 R333 K375	I302-S330 VanDerWaalsContact CG2-OG 3.29Å; I302-S330 WeakPolarHBondContact CG2-OG 3.34Å; S330-R332 PolarHBondContact O-N 3.08Å; S330-R332 VanDerWaalsContact O-N 3.13Å; S330-R332 PolarHBondContact OG-N 3.07Å; S330-R333 VanDerWaalsContact O-CB 3.25Å; S330-R333 WeakPolarHBondContact O-CB 3.48Å; S330-R333 PolarHBondContact O-N 2.69Å; S330-K375 PolarHBondContact O-NZ 3.07Å; S330-K375 VanDerWaalsContact O-NZ 3.15Å
331	P	87.1	Confident	82.2	Confident	112 Å²	112	74.8 Å²	74.8	73%	0.727	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.8	174.3	26.5	-34.3	0	0	0	112	R333 K375	P331-R333 VanDerWaalsContact C-N 3.32Å; P331-K375 WeakPolarHBondContact O-CE 3.3Å
332	R	91.4	Very high	83.4	Confident	121 Å²	121	69.6 Å²	69.6	46%	0.457	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.2	177	-71.7	-167.1	-67.4	167.3	-3	113.8	I302 T303 S330 R374	I302-R332 VanDerWaalsContact CD1-NH2 3.34Å; I302-R332 HydrophobicContact CG2-CB 4.19Å; T303-R332 WeakPolarHBondContact CA-O 3.33Å; S330-R332 PolarHBondContact O-N 3.08Å; S330-R332 VanDerWaalsContact O-N 3.13Å; S330-R332 PolarHBondContact OG-N 3.07Å; R332-R374 VanDerWaalsContact CB-NH1 3.29Å; R332-R374 WeakPolarHBondContact O-CD 3.3Å; R332-R374 PolarHBondContact O-NH1 2.91Å
333	R	93.7	Very high	84.9	Confident	20 Å²	20	64.7 Å²	64.7	8%	0.075	35%	0.349	C	S	.	.	S	Bend	trans	-81.8	139.9	-177.7	-161.9	-177.5	-66	-69.8	-1	112.1	P301 T303 A304 Q328 S330 P331 K375	P301-R333 PolarHBondContact O-NH1 3.36Å; P301-R333 VanDerWaalsContact O-NH1 3.13Å; T303-R333 WeakPolarHBondContact O-CA 3.46Å; A304-R333 WeakPolarHBondContact O-CD 3.44Å; A304-R333 WeakPolarHBondContact O-CG 3.36Å; A304-R333 PolarHBondContact O-NH1 3.25Å; Q328-R333 PolarHBondContact O-NH2 2.95Å; S330-R333 VanDerWaalsContact O-CB 3.25Å; S330-R333 WeakPolarHBondContact O-CB 3.48Å; S330-R333 PolarHBondContact O-N 2.69Å; P331-R333 VanDerWaalsContact C-N 3.32Å; R333-K375 WeakPolarHBondContact O-CE 3.39Å; R333-K375 PolarHBondContact O-NZ 2.91Å
334	F	94.2	Very high	86.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.337	C	S	.	.			trans	-68.9	127.5	163.7	-67.6	-80.1	0	0	0	110.8	T303 H305 E337 S339 L341 R374 I378 Y453	T303-F334 WeakPolarHBondContact O-CD2 3.41Å; T303-F334 PolarHBondContact O-N 2.93Å; H305-F334 WeakPolarHBondContact CA-O 3.26Å; H305-F334 HydrophobicContact CB-CB 4.24Å; H305-F334 PolarHBondContact CD2-O 3.43Å; F334-E337 VanDerWaalsContact CB-O 3.25Å; F334-E337 WeakPolarHBondContact CB-O 3.48Å; F334-E337 HydrophobicContact CD1-CB 4.13Å; F334-S339 WeakPolarHBondContact CD2-O 3.23Å; F334-L341 HydrophobicContact CE2-CD2 4.23Å; F334-L341 HydrophobicContact CE2-CG 3.99Å; F334-L341 HydrophobicContact CZ-CD2 4.26Å; F334-L341 HydrophobicContact CZ-CG 4.35Å; F334-R374 WeakPolarHBondContact CA-O 3.26Å; F334-R374 HydrophobicContact CD1-CB 3.82Å; F334-R374 HydrophobicContact CD1-CG 4.25Å; F334-R374 HydrophobicContact CE1-CB 3.98Å; F334-R374 HydrophobicContact CE1-CG 3.9Å; F334-R374 HydrophobicContact CG-CB 4.33Å; F334-R374 HydrophobicContact CZ-CG 4.17Å; F334-I378 HydrophobicContact CD1-CD1 3.73Å; F334-I378 HydrophobicContact CE1-CD1 3.86Å; F334-Y453 HydrophobicContact CZ-CD2 4.45Å; F334-Y453 HydrophobicContact CZ-CE2 4.05Å
335	D	89.8	Confident	87.7	Confident	60 Å²	60	60.2 Å²	60.2	32%	0.321	33%	0.327	S	S	.	.	S	Bend	trans	-96.7	-37.1	-175.9	62.6	-10.4	0	0	0	113.8	H305 R374 K375 G376	H305-D335 PolarHBondContact CD2-O 3.5Å; H305-D335 PolarHBondContact NE2-O 2.86Å; D335-R374 PolarHBondContact N-O 3.46Å; D335-K375 HydrophobicContact CB-CD 4.04Å; D335-K375 VanDerWaalsContact OD1-CA 3.24Å; D335-K375 WeakPolarHBondContact OD1-CA 3.39Å; D335-K375 WeakPolarHBondContact OD2-CA 3.49Å; D335-K375 WeakPolarHBondContact OD2-CD 3.44Å; D335-G376 PolarHBondContact OD1-N 2.99Å; D335-G376 PolarHBondContact OD2-N 2.8Å
336	V	89.5	Confident	89.1	Confident	85 Å²	85	57.6 Å²	57.6	52%	0.515	32%	0.315	S	S	.	.	S	Bend	trans	-111.2	-46.6	-178.9	176.5	0	0	0	0	110.7
337	E	92.4	Very high	90.4	Very high	51 Å²	51	52.9 Å²	52.9	24%	0.238	29%	0.292	C	S	.	.	S	Bend	trans	-73.6	129	-176.8	-169.8	56.3	-137.1	0	0	110.6	H305 F334 S339 I378 Y453	H305-E337 WeakPolarHBondContact CB-O 3.24Å; H305-E337 PolarHBondContact CD2-O 3.2Å; F334-E337 VanDerWaalsContact CB-O 3.25Å; F334-E337 WeakPolarHBondContact CB-O 3.48Å; F334-E337 HydrophobicContact CD1-CB 4.13Å; E337-S339 WeakPolarHBondContact CG-OG 3.21Å; E337-S339 PolarHBondContact O-N 2.87Å; E337-I378 HydrophobicContact CB-CD1 4.07Å; E337-Y453 WeakPolarHBondContact CG-OH 3.14Å
338	V	93.1	Very high	91.6	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.042	30%	0.301	C	S	.	.			trans	-83.8	68.3	-173.3	-179.1	0	0	0	0	109.4	L308 Y319 S455 Q458	L308-V338 HydrophobicContact CD2-CG1 3.64Å; L308-V338 HydrophobicContact CG-CG1 4.38Å; Y319-V338 HydrophobicContact CD2-CG1 3.41Å; Y319-V338 VanDerWaalsContact CD2-CG1 3.41Å; Y319-V338 HydrophobicContact CE2-CG1 3.68Å; Y319-V338 HydrophobicContact CE2-CG2 4.08Å; V338-S455 PolarHBondContact O-OG 3.1Å; V338-Q458 HydrophobicContact CG2-CG 4.09Å
339	S	96.2	Very high	92.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.276	C	S	.	.			trans	-141.5	165.4	-168	-64.2	0	0	0	0	113.8	H305 L308 F334 E337 Y453 F454 S455	H305-S339 PolarHBondContact N-O 2.78Å; L308-S339 VanDerWaalsContact CD1-C 3.45Å; L308-S339 VanDerWaalsContact CD1-O 3.29Å; L308-S339 WeakPolarHBondContact CD1-O 3.14Å; F334-S339 WeakPolarHBondContact CD2-O 3.23Å; E337-S339 WeakPolarHBondContact CG-OG 3.21Å; E337-S339 PolarHBondContact O-N 2.87Å; S339-Y453 WeakPolarHBondContact CB-OH 3.27Å; S339-Y453 VanDerWaalsContact OG-CZ 3.23Å; S339-Y453 PolarHBondContact OG-OH 2.97Å; S339-F454 CarbonylContact C-O 3.59Å; S339-F454 VanDerWaalsContact CA-O 3.28Å; S339-F454 WeakPolarHBondContact CA-O 3.42Å; S339-S455 VanDerWaalsContact OG-CB 3.25Å; S339-S455 WeakPolarHBondContact OG-CB 3.3Å; S339-S455 PolarHBondContact OG-OG 3.45Å
340	V	97.2	Very high	93.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	147.6	178.9	60	0	0	0	0	109.4	L299 D300 A304 L308 V317 F454	L299-V340 HydrophobicContact CB-CG2 4.2Å; L299-V340 HydrophobicContact CD2-CG1 3.92Å; D300-V340 WeakPolarHBondContact O-CG2 3.45Å; A304-V340 HydrophobicContact CB-CB 3.98Å; A304-V340 HydrophobicContact CB-CG2 3.67Å; L308-V340 HydrophobicContact CD1-CB 3.94Å; L308-V340 HydrophobicContact CD1-CG1 4.14Å; V317-V340 HydrophobicContact CB-CG1 4.41Å; V317-V340 HydrophobicContact CG1-CG1 4.26Å; V317-V340 HydrophobicContact CG2-CG1 4.05Å; V340-F454 HydrophobicContact CG1-CB 4.02Å; V340-F454 PolarHBondContact N-O 2.71Å; V340-F454 PolarHBondContact O-N 3.03Å
341	L	97.7	Very high	93.9	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	158.2	172.2	-61.1	-178	0	0	0	111.3	D300 T303 F334 A368 C451 P452 Y453	D300-L341 PolarHBondContact N-O 2.76Å; T303-L341 HydrophobicContact CG2-CB 4.21Å; T303-L341 HydrophobicContact CG2-CD1 4.33Å; T303-L341 HydrophobicContact CG2-CG 4.45Å; T303-L341 PolarHBondContact OG1-N 3.42Å; F334-L341 HydrophobicContact CE2-CD2 4.23Å; F334-L341 HydrophobicContact CE2-CG 3.99Å; F334-L341 HydrophobicContact CZ-CD2 4.26Å; F334-L341 HydrophobicContact CZ-CG 4.35Å; L341-A368 HydrophobicContact CD2-CB 4.08Å; L341-C451 HydrophobicContact CB-CB 4.24Å; L341-C451 HydrophobicContact CD1-CB 4.19Å; L341-C451 HydrophobicContact CD2-CB 4.29Å; L341-C451 HydrophobicContact CG-CB 4.47Å; L341-P452 CarbonylContact C-O 3.51Å; L341-P452 VanDerWaalsContact CA-O 3.28Å; L341-P452 WeakPolarHBondContact CA-O 3.14Å; L341-Y453 HydrophobicContact CD2-CD2 3.81Å
342	G	97	Very high	94.3	Very high	4 Å²	4	39.7 Å²	39.7	4%	0.041	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-64.4	148.8	162.8	0	0	0	0	0	111.6	T298 E344 P452	T298-G342 CarbonylContact O-C 3.55Å; T298-G342 VanDerWaalsContact O-CA 3.3Å; T298-G342 WeakPolarHBondContact O-CA 3.27Å; G342-E344 VanDerWaalsContact C-N 3.32Å; G342-P452 PolarHBondContact N-O 3.19Å
343	A	95.6	Very high	94.5	Very high	52 Å²	52	34 Å²	34	43%	0.43	21%	0.211	S	C	.	.	S	Bend	trans	-66	-36	176.1	0	0	0	0	0	112.4	T298 D300	T298-A343 PolarHBondContact O-N 3.47Å; D300-A343 HydrophobicContact CB-CB 4.35Å
344	E	94.3	Very high	94.6	Very high	126 Å²	126	34 Å²	34	59%	0.589	21%	0.212	S	C	*	.	S	Bend	trans	-98.3	143.4	174.3	-63.6	-174.4	179	0	0	110.8	G342 P452	G342-E344 VanDerWaalsContact C-N 3.32Å; E344-P452 WeakPolarHBondContact O-CD 3.44Å
345	G	94.5	Very high	94.7	Very high	16 Å²	16	34 Å²	34	17%	0.165	21%	0.212	C	C	.	.			trans	-127	156.3	170.6	0	0	0	0	0	110.7	K449 L450	G345-K449 VanDerWaalsContact CA-CE 3.47Å; G345-K449 WeakPolarHBondContact O-CE 3.2Å; G345-L450 CarbonylContact C-O 3.59Å; G345-L450 WeakPolarHBondContact CA-O 3.47Å
346	F	95.6	Very high	95.1	Very high	15 Å²	15	34.2 Å²	34.2	7%	0.066	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-108.9	121.1	-169.6	-52.2	-62.1	0	0	0	110.8	L297 H351 W353 L420 Y422 K449 L450 P452	L297-F346 HydrophobicContact CD2-CE2 4.49Å; L297-F346 HydrophobicContact CD2-CZ 3.77Å; F346-H351 AromaticContact CD1-CD2 3.59Å; F346-H351 AromaticContact CD1-CE1 3.39Å; F346-H351 WeakPolarHBondContact CD1-CE1 3.32Å; F346-H351 AromaticContact CD1-CG 3.62Å; F346-H351 AromaticContact CD1-ND1 3.52Å; F346-H351 AromaticContact CD1-NE2 3.44Å; F346-H351 WeakPolarHBondContact CD1-NE2 3.32Å; F346-H351 HydrophobicContact CE1-CB 4.44Å; F346-H351 AromaticContact CE1-CE1 3.78Å; F346-H351 AromaticContact CE1-CG 3.81Å; F346-H351 AromaticContact CE1-ND1 3.5Å; F346-H351 HydrophobicContact CE2-CB 4.42Å; F346-H351 AromaticContact CG-CD2 3.62Å; F346-H351 AromaticContact CG-CG 3.89Å; F346-H351 AromaticContact CG-NE2 3.82Å; F346-H351 HydrophobicContact CZ-CB 4.38Å; F346-W353 HydrophobicContact CD2-CH2 4.46Å; F346-W353 HydrophobicContact CD2-CZ3 4.2Å; F346-W353 HydrophobicContact CE2-CE3 4.2Å; F346-W353 HydrophobicContact CE2-CH2 4.09Å; F346-W353 AromaticContact CE2-CZ3 3.66Å; F346-W353 HydrophobicContact CE2-CZ3 3.66Å; F346-L420 HydrophobicContact CB-CD2 3.76Å; F346-L420 HydrophobicContact CD2-CD2 3.84Å; F346-L420 HydrophobicContact CG-CD2 4.14Å; F346-Y422 WeakPolarHBondContact O-CD2 3.4Å; F346-Y422 WeakPolarHBondContact O-CE2 3.22Å; F346-K449 WeakPolarHBondContact O-CA 3.35Å; F346-L450 PolarHBondContact N-O 3.45Å; F346-L450 PolarHBondContact O-N 3.08Å; F346-P452 HydrophobicContact CE2-CG 3.72Å; F346-P452 HydrophobicContact CZ-CG 4.43Å
347	G	95	Very high	95.3	Very high	40 Å²	40	30.2 Å²	30.2	41%	0.412	19%	0.188	S	C	.	.	S	Bend	trans	-111.2	1.2	173.3	0	0	0	0	0	113.8	Y422	G347-Y422 WeakPolarHBondContact O-CD1 3.34Å; G347-Y422 WeakPolarHBondContact O-CE1 3.38Å
348	S	94.2	Very high	95.1	Very high	85 Å²	85	30 Å²	30	59%	0.594	19%	0.192	S	C	*	.	S	Bend	trans	-167.9	164.1	-176.6	58.7	0	0	0	0	110.6	H351	S348-H351 PolarHBondContact O-NE2 3.49Å
349	G	93.4	Very high	94.7	Very high	31 Å²	31	35.5 Å²	35.5	32%	0.32	22%	0.217	S	C	.	.	S	Bend	trans	83.5	-173	170.9	0	0	0	0	0	114.6	Y422 P423	G349-Y422 WeakPolarHBondContact O-CB 3.12Å; G349-Y422 PolarHBondContact O-N 3.13Å; G349-Y422 VanDerWaalsContact O-N 3.09Å; G349-P423 WeakPolarHBondContact O-CD 3.43Å
350	V	94.6	Very high	94.5	Very high	54 Å²	54	35.6 Å²	35.6	33%	0.327	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.7	-178.4	-175.4	0	0	0	0	108.6	P292 Y419 L420 D421	P292-V350 HydrophobicContact CB-CG1 4.47Å; P292-V350 HydrophobicContact CG-CG1 3.96Å; V350-Y419 HydrophobicContact CG1-CD2 4.36Å; V350-Y419 HydrophobicContact CG1-CE2 3.4Å; V350-Y419 VanDerWaalsContact CG1-OH 3.3Å; V350-Y419 WeakPolarHBondContact CG1-OH 3.44Å; V350-L420 CarbonylContact C-O 3.45Å; V350-L420 VanDerWaalsContact CA-O 3.26Å; V350-L420 WeakPolarHBondContact CA-O 3.34Å; V350-D421 HydrophobicContact CG2-CB 4.41Å
351	H	95.1	Very high	94.2	Very high	44 Å²	44	37.5 Å²	37.5	20%	0.204	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.1	-173	-56	-78.5	0	0	0	110.4	F346 S348 W353 Y419 L420	F346-H351 AromaticContact CD1-CD2 3.59Å; F346-H351 AromaticContact CD1-CE1 3.39Å; F346-H351 WeakPolarHBondContact CD1-CE1 3.32Å; F346-H351 AromaticContact CD1-CG 3.62Å; F346-H351 AromaticContact CD1-ND1 3.52Å; F346-H351 AromaticContact CD1-NE2 3.44Å; F346-H351 WeakPolarHBondContact CD1-NE2 3.32Å; F346-H351 HydrophobicContact CE1-CB 4.44Å; F346-H351 AromaticContact CE1-CE1 3.78Å; F346-H351 AromaticContact CE1-CG 3.81Å; F346-H351 AromaticContact CE1-ND1 3.5Å; F346-H351 HydrophobicContact CE2-CB 4.42Å; F346-H351 AromaticContact CG-CD2 3.62Å; F346-H351 AromaticContact CG-CG 3.89Å; F346-H351 AromaticContact CG-NE2 3.82Å; F346-H351 HydrophobicContact CZ-CB 4.38Å; S348-H351 PolarHBondContact O-NE2 3.49Å; H351-W353 HydrophobicContact CB-CE3 4.46Å; H351-W353 HydrophobicContact CB-CZ3 4.17Å; H351-Y419 CarbonylContact O-C 3.47Å; H351-Y419 WeakPolarHBondContact O-CA 3.5Å; H351-L420 HydrophobicContact CB-CB 4.42Å; H351-L420 PolarHBondContact N-O 3.41Å; H351-L420 PolarHBondContact O-N 2.85Å
352	Y	95.6	Very high	94	Very high	20 Å²	20	40.7 Å²	40.7	8%	0.078	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.8	173.1	178.3	-111.6	0	0	0	109	P294 A295 E354 V418 Y430	P294-Y352 CarbonylContact C-O 3.59Å; P294-Y352 VanDerWaalsContact CA-O 3.3Å; P294-Y352 WeakPolarHBondContact CA-O 3.41Å; P294-Y352 HydrophobicContact CB-CD1 4.26Å; P294-Y352 HydrophobicContact CG-CD1 3.77Å; P294-Y352 HydrophobicContact CG-CE1 3.87Å; A295-Y352 WeakPolarHBondContact CB-O 3.42Å; A295-Y352 PolarHBondContact N-O 3.4Å; Y352-E354 HydrophobicContact CE1-CG 3.65Å; Y352-E354 WeakPolarHBondContact CE1-OE1 3.38Å; Y352-E354 VanDerWaalsContact OH-CG 3.28Å; Y352-E354 WeakPolarHBondContact OH-CG 3.43Å; Y352-E354 PolarHBondContact OH-OE1 3.36Å; Y352-V418 CarbonylContact C-O 3.57Å; Y352-V418 VanDerWaalsContact CA-O 3.26Å; Y352-V418 WeakPolarHBondContact CA-O 3.45Å; Y352-V418 VanDerWaalsContact CD2-O 3.3Å; Y352-V418 WeakPolarHBondContact CD2-O 3.31Å; Y352-Y430 HydrophobicContact CE2-CD2 4.48Å
353	W	95.9	Very high	94	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	163.7	170.1	63.7	94.9	0	0	0	110.1	L297 F346 H351 V367 G417 V418 L420 P452	L297-W353 HydrophobicContact CD1-CB 3.6Å; L297-W353 HydrophobicContact CD1-CD2 3.58Å; L297-W353 HydrophobicContact CD1-CE3 4.23Å; L297-W353 HydrophobicContact CD1-CG 3.27Å; L297-W353 HydrophobicContact CG-CB 4.08Å; L297-W353 HydrophobicContact CG-CG 4.26Å; F346-W353 HydrophobicContact CD2-CH2 4.46Å; F346-W353 HydrophobicContact CD2-CZ3 4.2Å; F346-W353 HydrophobicContact CE2-CE3 4.2Å; F346-W353 HydrophobicContact CE2-CH2 4.09Å; F346-W353 AromaticContact CE2-CZ3 3.66Å; F346-W353 HydrophobicContact CE2-CZ3 3.66Å; H351-W353 HydrophobicContact CB-CE3 4.46Å; H351-W353 HydrophobicContact CB-CZ3 4.17Å; W353-V367 HydrophobicContact CH2-CG1 3.55Å; W353-V367 HydrophobicContact CZ2-CG1 3.71Å; W353-G417 WeakPolarHBondContact O-CA 3.31Å; W353-V418 HydrophobicContact CD2-CB 3.97Å; W353-V418 HydrophobicContact CD2-CG1 4.44Å; W353-V418 HydrophobicContact CG-CB 4.43Å; W353-V418 HydrophobicContact CH2-CB 4.26Å; W353-V418 HydrophobicContact CH2-CG1 3.67Å; W353-V418 HydrophobicContact CZ2-CB 3.69Å; W353-V418 HydrophobicContact CZ2-CG1 3.33Å; W353-V418 HydrophobicContact CZ2-CG2 4.33Å; W353-V418 HydrophobicContact CZ3-CG1 4.35Å; W353-V418 PolarHBondContact N-O 3.41Å; W353-V418 PolarHBondContact O-N 2.91Å; W353-L420 HydrophobicContact CH2-CB 4.49Å; W353-L420 HydrophobicContact CZ3-CB 4.25Å; W353-P452 HydrophobicContact CH2-CG 4.37Å; W353-P452 HydrophobicContact CZ2-CB 4.08Å; W353-P452 HydrophobicContact CZ2-CG 4.09Å
354	E	96.1	Very high	94.1	Very high	21 Å²	21	39 Å²	39	10%	0.098	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145	-177.4	-64.4	177.4	173.5	0	0	111.3	Y352 K415 V416 A432 N472	Y352-E354 HydrophobicContact CE1-CG 3.65Å; Y352-E354 WeakPolarHBondContact CE1-OE1 3.38Å; Y352-E354 VanDerWaalsContact OH-CG 3.28Å; Y352-E354 WeakPolarHBondContact OH-CG 3.43Å; Y352-E354 PolarHBondContact OH-OE1 3.36Å; E354-K415 HydrophobicContact CB-CD 3.63Å; E354-K415 HydrophobicContact CB-CG 4.06Å; E354-K415 HydrophobicContact CG-CD 4.08Å; E354-K415 WeakPolarHBondContact OE2-CD 3.49Å; E354-K415 IonicContact OE2-NZ 3.88Å; E354-K415 PolarHBondContact OE2-NZ 3Å; E354-V416 CarbonylContact C-O 3.57Å; E354-V416 WeakPolarHBondContact CA-O 3.42Å; E354-A432 HydrophobicContact CG-CB 3.93Å; E354-N472 HydrophobicContact CB-CB 3.87Å; E354-N472 PolarHBondContact O-N 3.48Å; E354-N472 PolarHBondContact OE2-ND2 2.69Å
355	V	96.8	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.4	179.7	-169.3	0	0	0	0	109.1	V357 I365 K415 V416 F454 L469 R470	V355-V357 HydrophobicContact CG1-CG1 4.26Å; V355-I365 HydrophobicContact CB-CD1 4.48Å; V355-I365 HydrophobicContact CG1-CG2 4.32Å; V355-K415 WeakPolarHBondContact O-CA 3.33Å; V355-K415 WeakPolarHBondContact O-CG 3.32Å; V355-V416 PolarHBondContact N-O 3.3Å; V355-V416 PolarHBondContact O-N 2.83Å; V355-F454 HydrophobicContact CG2-CD1 4.23Å; V355-F454 HydrophobicContact CG2-CE1 3.7Å; V355-L469 HydrophobicContact CG1-CB 4.27Å; V355-L469 HydrophobicContact CG1-CD2 4.15Å; V355-R470 WeakPolarHBondContact CA-O 3.38Å
356	M	96.4	Very high	94.4	Very high	63 Å²	63	32.2 Å²	32.2	31%	0.31	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130.4	173.4	-62.7	-166.5	-71.2	0	0	110.4	K415 R470 N472	M356-K415 HydrophobicContact CG-CG 4.22Å; M356-R470 HydrophobicContact CB-CB 4.36Å; M356-R470 HydrophobicContact CE-CB 3.85Å; M356-R470 HydrophobicContact CE-CG 3.46Å; M356-R470 VanDerWaalsContact CE-CG 3.46Å; M356-R470 PolarHBondContact N-O 3.37Å; M356-R470 PolarHBondContact O-N 2.83Å; M356-N472 HydrophobicContact CG-CB 4.48Å
357	V	95.1	Very high	94.6	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	19%	0.188	C	C	.	.			trans	-136.3	-3.6	-172.2	-55.5	0	0	0	0	114.2	V355 E359 K360 W363 L413 E414 V416 L469	V355-V357 HydrophobicContact CG1-CG1 4.26Å; V357-E359 VanDerWaalsContact C-N 3.29Å; V357-E359 PolarHBondContact O-N 2.88Å; V357-E359 VanDerWaalsContact O-N 3.1Å; V357-K360 WeakPolarHBondContact O-CB 3.4Å; V357-K360 PolarHBondContact O-N 3.48Å; V357-W363 HydrophobicContact CB-CD2 4.33Å; V357-W363 HydrophobicContact CB-CG 4.43Å; V357-W363 HydrophobicContact CB-CZ2 4.17Å; V357-W363 HydrophobicContact CG1-CD2 4.12Å; V357-W363 HydrophobicContact CG1-CG 4.39Å; V357-W363 HydrophobicContact CG1-CZ2 4.31Å; V357-W363 HydrophobicContact CG2-CZ2 3.76Å; V357-L413 HydrophobicContact CG2-CB 4.11Å; V357-L413 WeakPolarHBondContact CG2-O 3.27Å; V357-E414 PolarHBondContact N-O 3.43Å; V357-V416 HydrophobicContact CG1-CG2 4.39Å; V357-V416 HydrophobicContact CG2-CG2 4.03Å; V357-L469 HydrophobicContact CB-CD2 4.41Å; V357-L469 HydrophobicContact CG1-CD2 3.69Å
358	S	86.7	Confident	94.7	Very high	46 Å²	46	29.6 Å²	29.6	32%	0.322	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-41.4	-169.7	55.9	0	0	0	0	115.3	K360 K412 E414	S358-K360 VanDerWaalsContact C-N 3.31Å; S358-K360 PolarHBondContact O-N 3.47Å; S358-K412 WeakPolarHBondContact O-CE 3.49Å; S358-K412 PolarHBondContact O-NZ 3.4Å; S358-E414 PolarHBondContact N-O 2.95Å; S358-E414 VanDerWaalsContact N-O 3.09Å
359	E	84.9	Confident	94.7	Very high	123 Å²	123	26.3 Å²	26.3	58%	0.575	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	3.5	-172	-48.5	-171	136.1	0	0	114	V357 Q467	V357-E359 VanDerWaalsContact C-N 3.29Å; V357-E359 PolarHBondContact O-N 2.88Å; V357-E359 VanDerWaalsContact O-N 3.1Å; E359-Q467 HydrophobicContact CB-CB 3.64Å; E359-Q467 HydrophobicContact CB-CG 3.61Å; E359-Q467 VanDerWaalsContact OE2-CG 3.27Å; E359-Q467 WeakPolarHBondContact OE2-CG 3.12Å; E359-Q467 PolarHBondContact OE2-OE1 3.14Å
360	K	91.9	Very high	94.7	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	15%	0.146	C	C	.	.			trans	-96.3	161.9	-175.5	-61.5	-169.5	66.3	50.8	0	111.9	V357 S358 Q362 W363 M391 K412 P456 N465 Q467 L469	V357-K360 WeakPolarHBondContact O-CB 3.4Å; V357-K360 PolarHBondContact O-N 3.48Å; S358-K360 VanDerWaalsContact C-N 3.31Å; S358-K360 PolarHBondContact O-N 3.47Å; K360-Q362 VanDerWaalsContact CE-O 3.28Å; K360-Q362 WeakPolarHBondContact CE-O 3.47Å; K360-W363 HydrophobicContact CD-CB 4.39Å; K360-M391 VanDerWaalsContact O-CE 3.25Å; K360-M391 WeakPolarHBondContact O-CE 3.36Å; K360-K412 WeakPolarHBondContact O-CE 3.19Å; K360-K412 PolarHBondContact O-NZ 3.37Å; K360-P456 WeakPolarHBondContact CE-O 3.46Å; K360-P456 PolarHBondContact NZ-O 2.72Å; K360-N465 WeakPolarHBondContact CB-OD1 3.41Å; K360-N465 PolarHBondContact NZ-O 2.65Å; K360-N465 PolarHBondContact NZ-OD1 2.92Å; K360-Q467 PolarHBondContact NZ-O 2.76Å; K360-L469 HydrophobicContact CD-CD2 3.5Å; K360-L469 VanDerWaalsContact CD-CD2 3.5Å; K360-L469 HydrophobicContact CD-CG 3.88Å
361	T	92.1	Very high	94.5	Very high	40 Å²	40	31.4 Å²	31.4	25%	0.245	16%	0.164	C	C	.	.	S	Bend	trans	-119.9	-10.1	171.8	61.3	0	0	0	0	113.1	M391 G394 N465	T361-M391 WeakPolarHBondContact O-CE 3.47Å; T361-G394 WeakPolarHBondContact O-CA 3.49Å; T361-G394 PolarHBondContact O-N 3.18Å; T361-N465 PolarHBondContact N-OD1 2.9Å; T361-N465 WeakPolarHBondContact OG1-CB 3.45Å
362	Q	94.1	Very high	94.4	Very high	70 Å²	70	30 Å²	30	33%	0.327	16%	0.158	S	C	.	.	S	Bend	trans	-150	136.9	171.7	-175.2	-178	11.2	0	0	109.5	K360 M391 N465	K360-Q362 VanDerWaalsContact CE-O 3.28Å; K360-Q362 WeakPolarHBondContact CE-O 3.47Å; Q362-M391 VanDerWaalsContact CA-O 3.28Å; Q362-M391 WeakPolarHBondContact CA-O 3.35Å; Q362-N465 PolarHBondContact N-OD1 3.01Å; Q362-N465 VanDerWaalsContact N-OD1 3.14Å; Q362-N465 PolarHBondContact O-ND2 3.14Å; Q362-N465 PolarHBondContact O-OD1 2.73Å
363	W	96.4	Very high	94.2	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.011	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	162.8	173.8	47.9	-98.5	0	0	0	110.3	V357 K360 I365 V389 V390 M391 Y397 L413 V416 S455 L469	V357-W363 HydrophobicContact CB-CD2 4.33Å; V357-W363 HydrophobicContact CB-CG 4.43Å; V357-W363 HydrophobicContact CB-CZ2 4.17Å; V357-W363 HydrophobicContact CG1-CD2 4.12Å; V357-W363 HydrophobicContact CG1-CG 4.39Å; V357-W363 HydrophobicContact CG1-CZ2 4.31Å; V357-W363 HydrophobicContact CG2-CZ2 3.76Å; K360-W363 HydrophobicContact CD-CB 4.39Å; W363-I365 HydrophobicContact CE3-CD1 4.14Å; W363-I365 HydrophobicContact CE3-CG1 3.92Å; W363-I365 HydrophobicContact CE3-CG2 4.37Å; W363-I365 HydrophobicContact CH2-CD1 4.33Å; W363-I365 HydrophobicContact CZ3-CD1 3.76Å; W363-I365 HydrophobicContact CZ3-CG1 3.66Å; W363-V389 HydrophobicContact CZ3-CG2 4.15Å; W363-V390 WeakPolarHBondContact O-CA 3.37Å; W363-V390 VanDerWaalsContact O-CG2 3.3Å; W363-V390 WeakPolarHBondContact O-CG2 3.27Å; W363-M391 VanDerWaalsContact CD1-CE 3.43Å; W363-M391 HydrophobicContact CD2-CB 3.78Å; W363-M391 HydrophobicContact CE3-CB 4.3Å; W363-M391 HydrophobicContact CG-CB 4.23Å; W363-M391 HydrophobicContact CH2-CB 4.12Å; W363-M391 HydrophobicContact CZ2-CB 3.61Å; W363-M391 HydrophobicContact CZ2-CG 4.42Å; W363-M391 HydrophobicContact CZ2-SD 4.15Å; W363-M391 HydrophobicContact CZ3-CB 4.42Å; W363-M391 PolarHBondContact N-O 3.38Å; W363-M391 VanDerWaalsContact N-O 3.14Å; W363-M391 PolarHBondContact NE1-SD 3.4Å; W363-M391 VanDerWaalsContact NE1-SD 3.37Å; W363-M391 PolarHBondContact O-N 2.85Å; W363-Y397 HydrophobicContact CH2-CD1 4.2Å; W363-Y397 HydrophobicContact CH2-CE1 4.23Å; W363-Y397 HydrophobicContact CZ2-CD1 4.18Å; W363-Y397 AromaticContact CZ2-CE1 3.78Å; W363-Y397 HydrophobicContact CZ2-CE1 3.78Å; W363-L413 HydrophobicContact CH2-CD1 4.14Å; W363-L413 HydrophobicContact CZ2-CD1 4.25Å; W363-V416 HydrophobicContact CH2-CG2 3.76Å; W363-V416 HydrophobicContact CZ2-CG2 4.14Å; W363-V416 HydrophobicContact CZ3-CG2 4.47Å; W363-S455 CarbonylContact C-O 3.52Å; W363-S455 VanDerWaalsContact CA-O 3.3Å; W363-S455 WeakPolarHBondContact CA-O 3.15Å; W363-L469 HydrophobicContact CB-CD2 4Å; W363-L469 HydrophobicContact CG-CD2 4.37Å
364	M	97.4	Very high	94.1	Very high	17 Å²	17	34.2 Å²	34.2	8%	0.084	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	135.3	170.8	-175.5	-177.8	-76.9	0	0	109.8	I380 C388 V389 V390 Y453 S455	M364-I380 HydrophobicContact CE-CB 4.31Å; M364-I380 HydrophobicContact CE-CG1 4.34Å; M364-I380 HydrophobicContact CE-CG2 4.26Å; M364-I380 HydrophobicContact SD-CB 4.05Å; M364-I380 HydrophobicContact SD-CG1 3.89Å; M364-I380 HydrophobicContact SD-CG2 3.58Å; M364-I380 VanDerWaalsContact SD-CG2 3.58Å; M364-C388 HydrophobicContact CG-CB 3.73Å; M364-C388 HydrophobicContact SD-CB 4.14Å; M364-V389 WeakPolarHBondContact CA-O 3.27Å; M364-V390 HydrophobicContact CB-CB 4.3Å; M364-V390 HydrophobicContact CB-CG2 4.23Å; M364-V390 HydrophobicContact CE-CB 3.8Å; M364-V390 HydrophobicContact CE-CG1 4.43Å; M364-V390 HydrophobicContact CE-CG2 3.81Å; M364-V390 HydrophobicContact CG-CB 4.21Å; M364-Y453 HydrophobicContact CB-CE1 4.45Å; M364-Y453 HydrophobicContact CG-CE1 4.01Å; M364-Y453 HydrophobicContact SD-CE1 3.8Å; M364-S455 PolarHBondContact N-O 2.54Å; M364-S455 PolarHBondContact O-N 2.88Å
365	I	98.1	Very high	93.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.4	-178.7	58.5	-179.2	0	0	0	110.1	V355 W363 C388 V389 V416 Y453 F454 L469	V355-I365 HydrophobicContact CB-CD1 4.48Å; V355-I365 HydrophobicContact CG1-CG2 4.32Å; W363-I365 HydrophobicContact CE3-CD1 4.14Å; W363-I365 HydrophobicContact CE3-CG1 3.92Å; W363-I365 HydrophobicContact CE3-CG2 4.37Å; W363-I365 HydrophobicContact CH2-CD1 4.33Å; W363-I365 HydrophobicContact CZ3-CD1 3.76Å; W363-I365 HydrophobicContact CZ3-CG1 3.66Å; I365-C388 CarbonylContact O-C 3.5Å; I365-C388 VanDerWaalsContact O-CA 3.28Å; I365-C388 WeakPolarHBondContact O-CA 3.43Å; I365-C388 WeakPolarHBondContact O-CB 3.25Å; I365-V389 HydrophobicContact CD1-CG2 4.34Å; I365-V389 HydrophobicContact CG1-CG2 3.79Å; I365-V389 PolarHBondContact N-O 2.94Å; I365-V389 PolarHBondContact O-N 3.25Å; I365-V416 HydrophobicContact CD1-CB 3.32Å; I365-V416 HydrophobicContact CD1-CG1 3.47Å; I365-V416 VanDerWaalsContact CD1-CG1 3.47Å; I365-V416 HydrophobicContact CD1-CG2 3.7Å; I365-Y453 WeakPolarHBondContact CA-O 3.41Å; I365-F454 HydrophobicContact CG2-CD1 4.33Å; I365-L469 HydrophobicContact CG2-CD1 4.18Å
366	G	98	Very high	93.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	-137.7	177.6	0	0	0	0	0	111.7	Y387 Y453	G366-Y387 VanDerWaalsContact CA-O 3.31Å; G366-Y387 WeakPolarHBondContact CA-O 3.48Å; G366-Y453 PolarHBondContact N-O 3.5Å; G366-Y453 PolarHBondContact O-N 3.32Å
367	V	98.1	Very high	93.3	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.8	173.8	-60.2	0	0	0	0	110.8	W353 Y387 L427 L450 C451	W353-V367 HydrophobicContact CH2-CG1 3.55Å; W353-V367 HydrophobicContact CZ2-CG1 3.71Å; V367-Y387 HydrophobicContact CG2-CD2 4.13Å; V367-Y387 HydrophobicContact CG2-CG 4.4Å; V367-Y387 PolarHBondContact N-O 3.21Å; V367-Y387 PolarHBondContact O-N 3.03Å; V367-L427 HydrophobicContact CG1-CD1 4.13Å; V367-L427 HydrophobicContact CG2-CD1 4.18Å; V367-L427 HydrophobicContact CG2-CD2 3.56Å; V367-L427 HydrophobicContact CG2-CG 4.49Å; V367-L450 HydrophobicContact CB-CB 4.25Å; V367-L450 HydrophobicContact CG2-CB 4.43Å; V367-L450 HydrophobicContact CG2-CD1 4.13Å; V367-L450 HydrophobicContact CG2-CD2 4.13Å; V367-L450 HydrophobicContact CG2-CG 4.49Å; V367-C451 CarbonylContact C-O 3.48Å; V367-C451 WeakPolarHBondContact CA-O 3.43Å
368	A	97.2	Very high	93.1	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.1	172.2	0	0	0	0	0	109.8	L341 V372 G385 F386 L450 C451 Y453	L341-A368 HydrophobicContact CD2-CB 4.08Å; A368-V372 HydrophobicContact CB-CG1 4.28Å; A368-V372 HydrophobicContact CB-CG2 4.16Å; A368-G385 CarbonylContact C-O 3.51Å; A368-G385 VanDerWaalsContact CA-O 3.28Å; A368-G385 WeakPolarHBondContact CA-O 3.37Å; A368-F386 HydrophobicContact CB-CD1 3.58Å; A368-F386 HydrophobicContact CB-CE1 3.65Å; A368-F386 HydrophobicContact CB-CG 4.44Å; A368-L450 CarbonylContact O-C 3.39Å; A368-L450 WeakPolarHBondContact O-CA 3.16Å; A368-C451 PolarHBondContact N-O 3.17Å; A368-C451 PolarHBondContact O-N 3.14Å; A368-Y453 HydrophobicContact CB-CD2 4.19Å
369	N	95.2	Very high	93.3	Very high	16 Å²	16	45 Å²	45	9%	0.086	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	141	167.5	-75.2	-36.8	0	0	0	109.8	T371 V372 G385 A448 L450	N369-T371 PolarHBondContact O-N 2.67Å; N369-V372 HydrophobicContact CB-CG1 3.89Å; N369-V372 WeakPolarHBondContact O-CG1 3.44Å; N369-V372 WeakPolarHBondContact O-CG2 3.48Å; N369-V372 PolarHBondContact O-N 3.37Å; N369-V372 VanDerWaalsContact O-N 3.15Å; N369-G385 PolarHBondContact N-O 3.03Å; N369-G385 VanDerWaalsContact ND2-CA 3.26Å; N369-G385 WeakPolarHBondContact ND2-CA 3.48Å; N369-A448 HydrophobicContact CB-CB 4.49Å; N369-L450 WeakPolarHBondContact OD1-CD2 3.44Å
370	E	92.8	Very high	93.7	Very high	78 Å²	78	39.9 Å²	39.9	36%	0.364	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.7	179.6	-172.6	175.6	-125.1	0	0	112.3	R374 K449	E370-R374 PolarHBondContact O-NH2 3.46Å; E370-K449 HydrophobicContact CB-CB 4.48Å; E370-K449 PolarHBondContact N-O 3.23Å; E370-K449 IonicContact OE1-NZ 3.14Å; E370-K449 PolarHBondContact OE1-NZ 3.14Å
371	T	90.7	Very high	93.8	Very high	114 Å²	114	41.4 Å²	41.4	70%	0.699	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	7.7	-175.6	58.5	0	0	0	0	114.9	N369	N369-T371 PolarHBondContact O-N 2.67Å
372	V	92.4	Very high	93.9	Very high	13 Å²	13	40.8 Å²	40.8	8%	0.079	23%	0.23	C	C	.	.			trans	-56.7	148.4	178.2	-67.5	0	0	0	0	112.2	A368 N369 R374 R384 F386	A368-V372 HydrophobicContact CB-CG1 4.28Å; A368-V372 HydrophobicContact CB-CG2 4.16Å; N369-V372 HydrophobicContact CB-CG1 3.89Å; N369-V372 WeakPolarHBondContact O-CG1 3.44Å; N369-V372 WeakPolarHBondContact O-CG2 3.48Å; N369-V372 PolarHBondContact O-N 3.37Å; N369-V372 VanDerWaalsContact O-N 3.15Å; V372-R374 WeakPolarHBondContact O-CG 3.32Å; V372-R384 WeakPolarHBondContact CG1-O 3.27Å; V372-F386 HydrophobicContact CB-CE1 4.4Å; V372-F386 HydrophobicContact CB-CE2 3.81Å; V372-F386 HydrophobicContact CB-CZ 3.61Å; V372-F386 HydrophobicContact CG1-CD2 4.17Å; V372-F386 HydrophobicContact CG1-CE1 4.35Å; V372-F386 HydrophobicContact CG1-CE2 3.71Å; V372-F386 HydrophobicContact CG1-CZ 3.81Å; V372-F386 HydrophobicContact CG2-CE1 4.03Å; V372-F386 HydrophobicContact CG2-CE2 4.31Å; V372-F386 HydrophobicContact CG2-CZ 3.6Å
373	S	92.1	Very high	93.9	Very high	81 Å²	81	41.1 Å²	41.1	57%	0.566	24%	0.241	S	C	*	.			trans	-62.5	139	169.5	-175.9	0	0	0	0	110	I378	S373-I378 WeakPolarHBondContact O-CD1 3.48Å
374	R	93.4	Very high	93.7	Very high	30 Å²	30	48.2 Å²	48.2	11%	0.113	27%	0.268	C	S	.	.			trans	-120.7	6.5	-177.5	-50.2	-179.7	-164.9	-176	-1.2	112.2	R332 F334 D335 E370 V372	R332-R374 VanDerWaalsContact CB-NH1 3.29Å; R332-R374 WeakPolarHBondContact O-CD 3.3Å; R332-R374 PolarHBondContact O-NH1 2.91Å; F334-R374 WeakPolarHBondContact CA-O 3.26Å; F334-R374 HydrophobicContact CD1-CB 3.82Å; F334-R374 HydrophobicContact CD1-CG 4.25Å; F334-R374 HydrophobicContact CE1-CB 3.98Å; F334-R374 HydrophobicContact CE1-CG 3.9Å; F334-R374 HydrophobicContact CG-CB 4.33Å; F334-R374 HydrophobicContact CZ-CG 4.17Å; D335-R374 PolarHBondContact N-O 3.46Å; E370-R374 PolarHBondContact O-NH2 3.46Å; V372-R374 WeakPolarHBondContact O-CG 3.32Å
375	K	92.4	Very high	93.6	Very high	77 Å²	77	47.6 Å²	47.6	34%	0.335	27%	0.266	S	S	.	.	S	Bend	trans	-117.8	139.4	-173	-56.4	-58.5	-178	-173.2	0	111.4	S330 P331 R333 D335	S330-K375 PolarHBondContact O-NZ 3.07Å; S330-K375 VanDerWaalsContact O-NZ 3.15Å; P331-K375 WeakPolarHBondContact O-CE 3.3Å; R333-K375 WeakPolarHBondContact O-CE 3.39Å; R333-K375 PolarHBondContact O-NZ 2.91Å; D335-K375 HydrophobicContact CB-CD 4.04Å; D335-K375 VanDerWaalsContact OD1-CA 3.24Å; D335-K375 WeakPolarHBondContact OD1-CA 3.39Å; D335-K375 WeakPolarHBondContact OD2-CA 3.49Å; D335-K375 WeakPolarHBondContact OD2-CD 3.44Å
376	G	90.5	Very high	93.5	Very high	28 Å²	28	47.7 Å²	47.7	29%	0.289	27%	0.266	S	S	.	.	S	Bend	trans	70.2	-159.3	179.5	0	0	0	0	0	113.9	D335 I378	D335-G376 PolarHBondContact OD1-N 2.99Å; D335-G376 PolarHBondContact OD2-N 2.8Å; G376-I378 PolarHBondContact O-N 2.85Å
377	S	89.1	Confident	93.5	Very high	120 Å²	120	48 Å²	48	84%	0.839	27%	0.267	S	S	*	.	S	Bend	trans	-73	113.6	178.3	-173.7	0	0	0	0	110.5
378	I	91.1	Very high	93.5	Very high	24 Å²	24	48 Å²	48	12%	0.123	27%	0.267	C	S	.	.			trans	-100.6	134.6	-178.7	-58.8	162.2	0	0	0	109.5	F334 E337 S373 G376 I380 F386	F334-I378 HydrophobicContact CD1-CD1 3.73Å; F334-I378 HydrophobicContact CE1-CD1 3.86Å; E337-I378 HydrophobicContact CB-CD1 4.07Å; S373-I378 WeakPolarHBondContact O-CD1 3.48Å; G376-I378 PolarHBondContact O-N 2.85Å; I378-I380 HydrophobicContact CG2-CD1 3.94Å; I378-F386 HydrophobicContact CG2-CD2 4.49Å; I378-F386 HydrophobicContact CG2-CE2 3.57Å; I378-F386 HydrophobicContact CG2-CZ 3.71Å
379	Q	91.8	Very high	93.5	Very high	110 Å²	110	48.2 Å²	48.2	51%	0.514	27%	0.268	S	S	.	.			trans	-91.1	115.5	169.6	-68.1	-179.4	-44	0	0	109.3	Q381 R384	Q379-Q381 HydrophobicContact CB-CG 4.31Å; Q379-Q381 PolarHBondContact O-N 2.89Å; Q379-R384 HydrophobicContact CB-CG 4.32Å; Q379-R384 WeakPolarHBondContact O-CB 3.42Å
380	I	93.8	Very high	93.6	Very high	14 Å²	14	47.8 Å²	47.8	7%	0.072	27%	0.266	C	S	.	.			trans	-82.6	97.9	176.8	-51.1	-59.9	0	0	0	109	M364 I378 F386 C388 C400	M364-I380 HydrophobicContact CE-CB 4.31Å; M364-I380 HydrophobicContact CE-CG1 4.34Å; M364-I380 HydrophobicContact CE-CG2 4.26Å; M364-I380 HydrophobicContact SD-CB 4.05Å; M364-I380 HydrophobicContact SD-CG1 3.89Å; M364-I380 HydrophobicContact SD-CG2 3.58Å; M364-I380 VanDerWaalsContact SD-CG2 3.58Å; I378-I380 HydrophobicContact CG2-CD1 3.94Å; I380-F386 HydrophobicContact CB-CB 4.44Å; I380-F386 HydrophobicContact CD1-CD1 3.73Å; I380-F386 HydrophobicContact CD1-CD2 4.23Å; I380-F386 HydrophobicContact CD1-CE1 3.76Å; I380-F386 HydrophobicContact CD1-CE2 4.25Å; I380-F386 HydrophobicContact CD1-CG 3.98Å; I380-F386 HydrophobicContact CD1-CZ 4.02Å; I380-F386 HydrophobicContact CG2-CB 3.57Å; I380-F386 HydrophobicContact CG2-CD1 4.24Å; I380-F386 HydrophobicContact CG2-CG 4Å; I380-C388 HydrophobicContact CG2-CB 4.11Å; I380-C400 HydrophobicContact CG2-CB 4.18Å; I380-C400 WeakPolarHBondContact O-CB 3.27Å
381	Q	94.1	Very high	93.8	Very high	34 Å²	34	44.1 Å²	44.1	16%	0.159	25%	0.249	C	C	.	.	S	Bend	trans	-161.5	159.8	179.1	62.1	-176.5	29.5	0	0	112.2	Q379 S383 R384 G385 F386 E402	Q379-Q381 HydrophobicContact CB-CG 4.31Å; Q379-Q381 PolarHBondContact O-N 2.89Å; Q381-S383 PolarHBondContact NE2-OG 3.47Å; Q381-S383 PolarHBondContact O-N 2.81Å; Q381-R384 HydrophobicContact CG-CB 4.18Å; Q381-R384 HydrophobicContact CG-CG 3.77Å; Q381-R384 CarbonylContact O-C 3.08Å; Q381-R384 PolarHBondContact O-N 2.67Å; Q381-G385 PolarHBondContact O-N 3.15Å; Q381-F386 CarbonylContact C-O 3.56Å; Q381-F386 PolarHBondContact O-N 3.29Å; Q381-F386 VanDerWaalsContact O-N 3.12Å; Q381-E402 HydrophobicContact CB-CG 3.64Å; Q381-E402 WeakPolarHBondContact CB-OE1 3.43Å; Q381-E402 HydrophobicContact CG-CG 4.08Å; Q381-E402 WeakPolarHBondContact CG-OE1 3.29Å; Q381-E402 PolarHBondContact NE2-OE1 3.13Å
382	P	94	Very high	93.7	Very high	26 Å²	26	40.6 Å²	40.6	17%	0.169	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-55	-41.8	-176.9	-32.7	35.7	0	0	0	114.9	R384 G385 F386 Y387 C400 Y441	P382-R384 PolarHBondContact O-N 3.09Å; P382-G385 PolarHBondContact O-N 3.19Å; P382-F386 WeakPolarHBondContact CA-O 2.99Å; P382-F386 VanDerWaalsContact N-O 3.08Å; P382-Y387 HydrophobicContact CB-CD1 4.26Å; P382-Y387 HydrophobicContact CB-CE1 3.8Å; P382-Y387 HydrophobicContact CG-CD1 4.22Å; P382-Y387 HydrophobicContact CG-CE1 4.23Å; P382-C400 WeakPolarHBondContact CD-O 3.47Å; P382-Y441 HydrophobicContact CG-CD1 4.18Å; P382-Y441 HydrophobicContact CG-CE1 3.76Å
383	S	93.1	Very high	93.3	Very high	78 Å²	78	46.1 Å²	46.1	55%	0.545	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-62.6	-18.3	178.9	63.1	0	0	0	0	113.5	Q381 E402	Q381-S383 PolarHBondContact NE2-OG 3.47Å; Q381-S383 PolarHBondContact O-N 2.81Å; S383-E402 WeakPolarHBondContact CB-OE1 3.21Å; S383-E402 PolarHBondContact N-OE1 3.11Å; S383-E402 PolarHBondContact OG-OE1 3.43Å; S383-E402 PolarHBondContact OG-OE2 3.32Å; S383-E402 VanDerWaalsContact OG-OE2 3.13Å
384	R	93.4	Very high	93	Very high	152 Å²	152	43.1 Å²	43.1	57%	0.574	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-102.6	6	175.5	-58.3	-57.6	-170.7	174.8	0.5	112.9	V372 Q379 Q381 P382 F386	V372-R384 WeakPolarHBondContact CG1-O 3.27Å; Q379-R384 HydrophobicContact CB-CG 4.32Å; Q379-R384 WeakPolarHBondContact O-CB 3.42Å; Q381-R384 HydrophobicContact CG-CB 4.18Å; Q381-R384 HydrophobicContact CG-CG 3.77Å; Q381-R384 CarbonylContact O-C 3.08Å; Q381-R384 PolarHBondContact O-N 2.67Å; P382-R384 PolarHBondContact O-N 3.09Å; R384-F386 HydrophobicContact CB-CD2 4.08Å; R384-F386 HydrophobicContact CB-CE2 4.44Å; R384-F386 WeakPolarHBondContact O-CD2 3.37Å
385	G	94.6	Very high	92.7	Very high	4 Å²	4	46.9 Å²	46.9	4%	0.041	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	21.9	177.1	0	0	0	0	0	114.7	A368 N369 Q381 P382	A368-G385 CarbonylContact C-O 3.51Å; A368-G385 VanDerWaalsContact CA-O 3.28Å; A368-G385 WeakPolarHBondContact CA-O 3.37Å; N369-G385 PolarHBondContact N-O 3.03Å; N369-G385 VanDerWaalsContact ND2-CA 3.26Å; N369-G385 WeakPolarHBondContact ND2-CA 3.48Å; Q381-G385 PolarHBondContact O-N 3.15Å; P382-G385 PolarHBondContact O-N 3.19Å
386	F	96.4	Very high	92.8	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.4	176.1	-64.1	-92.8	0	0	0	111.7	A368 V372 I378 I380 Q381 P382 R384 Y453	A368-F386 HydrophobicContact CB-CD1 3.58Å; A368-F386 HydrophobicContact CB-CE1 3.65Å; A368-F386 HydrophobicContact CB-CG 4.44Å; V372-F386 HydrophobicContact CB-CE1 4.4Å; V372-F386 HydrophobicContact CB-CE2 3.81Å; V372-F386 HydrophobicContact CB-CZ 3.61Å; V372-F386 HydrophobicContact CG1-CD2 4.17Å; V372-F386 HydrophobicContact CG1-CE1 4.35Å; V372-F386 HydrophobicContact CG1-CE2 3.71Å; V372-F386 HydrophobicContact CG1-CZ 3.81Å; V372-F386 HydrophobicContact CG2-CE1 4.03Å; V372-F386 HydrophobicContact CG2-CE2 4.31Å; V372-F386 HydrophobicContact CG2-CZ 3.6Å; I378-F386 HydrophobicContact CG2-CD2 4.49Å; I378-F386 HydrophobicContact CG2-CE2 3.57Å; I378-F386 HydrophobicContact CG2-CZ 3.71Å; I380-F386 HydrophobicContact CB-CB 4.44Å; I380-F386 HydrophobicContact CD1-CD1 3.73Å; I380-F386 HydrophobicContact CD1-CD2 4.23Å; I380-F386 HydrophobicContact CD1-CE1 3.76Å; I380-F386 HydrophobicContact CD1-CE2 4.25Å; I380-F386 HydrophobicContact CD1-CG 3.98Å; I380-F386 HydrophobicContact CD1-CZ 4.02Å; I380-F386 HydrophobicContact CG2-CB 3.57Å; I380-F386 HydrophobicContact CG2-CD1 4.24Å; I380-F386 HydrophobicContact CG2-CG 4Å; Q381-F386 CarbonylContact C-O 3.56Å; Q381-F386 PolarHBondContact O-N 3.29Å; Q381-F386 VanDerWaalsContact O-N 3.12Å; P382-F386 WeakPolarHBondContact CA-O 2.99Å; P382-F386 VanDerWaalsContact N-O 3.08Å; R384-F386 HydrophobicContact CB-CD2 4.08Å; R384-F386 HydrophobicContact CB-CE2 4.44Å; R384-F386 WeakPolarHBondContact O-CD2 3.37Å; F386-Y453 HydrophobicContact CD1-CD2 4.25Å; F386-Y453 HydrophobicContact CD1-CE2 4.21Å; F386-Y453 HydrophobicContact CE1-CD2 4.02Å; F386-Y453 AromaticContact CE1-CE2 3.8Å; F386-Y453 HydrophobicContact CE1-CE2 3.8Å
387	Y	97.4	Very high	93.1	Very high	7 Å²	7	45.5 Å²	45.5	3%	0.027	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	92.9	179.7	-56.2	-91.2	0	0	0	108.4	G366 V367 P382 L427 Y441 E443 F446 L450	G366-Y387 VanDerWaalsContact CA-O 3.31Å; G366-Y387 WeakPolarHBondContact CA-O 3.48Å; V367-Y387 HydrophobicContact CG2-CD2 4.13Å; V367-Y387 HydrophobicContact CG2-CG 4.4Å; V367-Y387 PolarHBondContact N-O 3.21Å; V367-Y387 PolarHBondContact O-N 3.03Å; P382-Y387 HydrophobicContact CB-CD1 4.26Å; P382-Y387 HydrophobicContact CB-CE1 3.8Å; P382-Y387 HydrophobicContact CG-CD1 4.22Å; P382-Y387 HydrophobicContact CG-CE1 4.23Å; Y387-L427 VanDerWaalsContact CB-CD2 3.43Å; Y387-L427 HydrophobicContact CG-CD2 4.41Å; Y387-Y441 AromaticContact CD1-CD1 3.69Å; Y387-Y441 HydrophobicContact CD1-CD1 3.69Å; Y387-Y441 HydrophobicContact CD1-CE1 4.23Å; Y387-Y441 AromaticContact CD1-CG 3.84Å; Y387-Y441 HydrophobicContact CD1-CG 3.84Å; Y387-Y441 HydrophobicContact CE1-CD1 4.46Å; Y387-E443 HydrophobicContact CE1-CG 3.85Å; Y387-E443 WeakPolarHBondContact CE1-OE1 3.41Å; Y387-E443 PolarHBondContact OH-OE1 3.34Å; Y387-F446 HydrophobicContact CE2-CD1 4.5Å; Y387-F446 HydrophobicContact CE2-CE1 4.46Å; Y387-L450 HydrophobicContact CD2-CD2 4.4Å; Y387-L450 HydrophobicContact CE2-CD2 4.38Å
388	C	98.1	Very high	93.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152.3	-166.3	-64.8	0	0	0	0	112.7	M364 I365 I380 C400 Y441 Y453	M364-C388 HydrophobicContact CG-CB 3.73Å; M364-C388 HydrophobicContact SD-CB 4.14Å; I365-C388 CarbonylContact O-C 3.5Å; I365-C388 VanDerWaalsContact O-CA 3.28Å; I365-C388 WeakPolarHBondContact O-CA 3.43Å; I365-C388 WeakPolarHBondContact O-CB 3.25Å; I380-C388 HydrophobicContact CG2-CB 4.11Å; C388-C400 HydrophobicContact CB-CB 4.41Å; C388-C400 WeakPolarHBondContact O-CB 3.46Å; C388-C400 PolarHBondContact O-N 3.13Å; C388-C400 PolarHBondContact O-SG 3.35Å; C388-Y441 PolarHBondContact O-OH 2.85Å; C388-Y453 VanDerWaalsContact SG-CD1 3.55Å
389	V	98.1	Very high	93.8	Very high	4 Å²	4	39 Å²	39	2%	0.024	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.2	162.9	-64.8	0	0	0	0	109.3	W363 M364 I365 S398 A399 L407 F429	W363-V389 HydrophobicContact CZ3-CG2 4.15Å; M364-V389 WeakPolarHBondContact CA-O 3.27Å; I365-V389 HydrophobicContact CD1-CG2 4.34Å; I365-V389 HydrophobicContact CG1-CG2 3.79Å; I365-V389 PolarHBondContact N-O 2.94Å; I365-V389 PolarHBondContact O-N 3.25Å; V389-S398 CarbonylContact C-O 3.52Å; V389-S398 WeakPolarHBondContact CA-O 3.22Å; V389-A399 HydrophobicContact CG1-CB 4.47Å; V389-L407 HydrophobicContact CB-CD1 4.41Å; V389-L407 HydrophobicContact CG1-CD1 4.01Å; V389-F429 HydrophobicContact CB-CD1 4.34Å; V389-F429 HydrophobicContact CG1-CB 4.16Å; V389-F429 HydrophobicContact CG1-CD1 3.98Å; V389-F429 HydrophobicContact CG1-CD2 3.73Å; V389-F429 HydrophobicContact CG1-CE1 4.28Å; V389-F429 HydrophobicContact CG1-CE2 4.07Å; V389-F429 HydrophobicContact CG1-CG 3.68Å; V389-F429 HydrophobicContact CG1-CZ 4.32Å; V389-F429 HydrophobicContact CG2-CD1 3.41Å; V389-F429 VanDerWaalsContact CG2-CD1 3.41Å; V389-F429 HydrophobicContact CG2-CE1 3.64Å; V389-F429 HydrophobicContact CG2-CG 3.96Å; V389-F429 HydrophobicContact CG2-CZ 4.37Å
390	V	97	Very high	94.1	Very high	8 Å²	8	33.8 Å²	33.8	5%	0.048	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.1	-175.1	60.1	0	0	0	0	110	W363 M364 Y397 S398 W404	W363-V390 WeakPolarHBondContact O-CA 3.37Å; W363-V390 VanDerWaalsContact O-CG2 3.3Å; W363-V390 WeakPolarHBondContact O-CG2 3.27Å; M364-V390 HydrophobicContact CB-CB 4.3Å; M364-V390 HydrophobicContact CB-CG2 4.23Å; M364-V390 HydrophobicContact CE-CB 3.8Å; M364-V390 HydrophobicContact CE-CG1 4.43Å; M364-V390 HydrophobicContact CE-CG2 3.81Å; M364-V390 HydrophobicContact CG-CB 4.21Å; V390-Y397 VanDerWaalsContact O-CA 3.29Å; V390-Y397 WeakPolarHBondContact O-CA 3.21Å; V390-S398 WeakPolarHBondContact CG1-O 3.33Å; V390-S398 PolarHBondContact N-O 3.33Å; V390-S398 PolarHBondContact O-N 2.64Å; V390-W404 HydrophobicContact CG1-CE3 4.4Å; V390-W404 HydrophobicContact CG1-CH2 4.46Å; V390-W404 HydrophobicContact CG1-CZ3 4.08Å
391	M	95.7	Very high	94.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.5	162.5	-171.9	-177.7	79.7	0	0	109.5	K360 T361 Q362 W363 Q396 Y397	K360-M391 VanDerWaalsContact O-CE 3.25Å; K360-M391 WeakPolarHBondContact O-CE 3.36Å; T361-M391 WeakPolarHBondContact O-CE 3.47Å; Q362-M391 VanDerWaalsContact CA-O 3.28Å; Q362-M391 WeakPolarHBondContact CA-O 3.35Å; W363-M391 VanDerWaalsContact CD1-CE 3.43Å; W363-M391 HydrophobicContact CD2-CB 3.78Å; W363-M391 HydrophobicContact CE3-CB 4.3Å; W363-M391 HydrophobicContact CG-CB 4.23Å; W363-M391 HydrophobicContact CH2-CB 4.12Å; W363-M391 HydrophobicContact CZ2-CB 3.61Å; W363-M391 HydrophobicContact CZ2-CG 4.42Å; W363-M391 HydrophobicContact CZ2-SD 4.15Å; W363-M391 HydrophobicContact CZ3-CB 4.42Å; W363-M391 PolarHBondContact N-O 3.38Å; W363-M391 VanDerWaalsContact N-O 3.14Å; W363-M391 PolarHBondContact NE1-SD 3.4Å; W363-M391 VanDerWaalsContact NE1-SD 3.37Å; W363-M391 PolarHBondContact O-N 2.85Å; M391-Q396 CarbonylContact C-O 3.29Å; M391-Q396 VanDerWaalsContact CA-O 3.27Å; M391-Q396 WeakPolarHBondContact CA-O 3.41Å; M391-Y397 HydrophobicContact CB-CD1 3.81Å; M391-Y397 HydrophobicContact CB-CE1 3.76Å; M391-Y397 HydrophobicContact CG-CD1 3.84Å; M391-Y397 HydrophobicContact CG-CE1 3.47Å; M391-Y397 VanDerWaalsContact CG-CE1 3.47Å; M391-Y397 HydrophobicContact SD-CD1 4.41Å; M391-Y397 HydrophobicContact SD-CE1 3.47Å; M391-Y397 WeakPolarHBondContact SD-CE1 3.39Å; M391-Y397 PolarHBondContact SD-OH 2.88Å; M391-Y397 VanDerWaalsContact SD-OH 3.4Å
392	H	89.7	Confident	94.2	Very high	41 Å²	41	36.8 Å²	36.8	19%	0.19	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.3	173.3	51.9	-77.4	0	0	0	110	G394 N395 Q396	H392-G394 PolarHBondContact O-N 3.34Å; H392-N395 PolarHBondContact O-N 3.09Å; H392-Q396 VanDerWaalsContact CD2-CB 3.48Å; H392-Q396 WeakPolarHBondContact CD2-CB 3.49Å; H392-Q396 PolarHBondContact N-O 3.3Å; H392-Q396 PolarHBondContact ND1-O 3.42Å; H392-Q396 VanDerWaalsContact NE2-CB 3.26Å; H392-Q396 WeakPolarHBondContact NE2-CB 3.35Å; H392-Q396 WeakPolarHBondContact O-CB 3.45Å; H392-Q396 PolarHBondContact O-N 3Å
393	D	84.5	Confident	94.2	Very high	128 Å²	128	41 Å²	41	68%	0.684	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	28.9	176.8	-52.4	-34.8	0	0	0	114.9	N395 Q396	D393-N395 PolarHBondContact O-N 3.36Å; D393-N395 VanDerWaalsContact O-N 3.12Å; D393-Q396 PolarHBondContact OD2-NE2 3.3Å
394	G	85.6	Confident	94.3	Very high	19 Å²	19	43.5 Å²	43.5	20%	0.196	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-15.5	174.8	0	0	0	0	0	117.2	T361 H392	T361-G394 WeakPolarHBondContact O-CA 3.49Å; T361-G394 PolarHBondContact O-N 3.18Å; H392-G394 PolarHBondContact O-N 3.34Å
395	N	86.4	Confident	94.5	Very high	108 Å²	108	39.1 Å²	39.1	58%	0.578	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-152.6	-1.6	-176.5	-178	31.9	0	0	0	114.2	H392 D393 Y397	H392-N395 PolarHBondContact O-N 3.09Å; D393-N395 PolarHBondContact O-N 3.36Å; D393-N395 VanDerWaalsContact O-N 3.12Å; N395-Y397 VanDerWaalsContact O-CD2 3.24Å; N395-Y397 WeakPolarHBondContact O-CD2 3.16Å; N395-Y397 VanDerWaalsContact O-CE2 3.26Å; N395-Y397 WeakPolarHBondContact O-CE2 3.36Å
396	Q	93.6	Very high	94.6	Very high	69 Å²	69	47.7 Å²	47.7	32%	0.322	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.4	178.5	-63.1	-171.9	60.5	0	0	109.6	M391 H392 D393	M391-Q396 CarbonylContact C-O 3.29Å; M391-Q396 VanDerWaalsContact CA-O 3.27Å; M391-Q396 WeakPolarHBondContact CA-O 3.41Å; H392-Q396 VanDerWaalsContact CD2-CB 3.48Å; H392-Q396 WeakPolarHBondContact CD2-CB 3.49Å; H392-Q396 PolarHBondContact N-O 3.3Å; H392-Q396 PolarHBondContact ND1-O 3.42Å; H392-Q396 VanDerWaalsContact NE2-CB 3.26Å; H392-Q396 WeakPolarHBondContact NE2-CB 3.35Å; H392-Q396 WeakPolarHBondContact O-CB 3.45Å; H392-Q396 PolarHBondContact O-N 3Å; D393-Q396 PolarHBondContact OD2-NE2 3.3Å
397	Y	97.3	Very high	94.6	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.6	-177.2	-57.5	-92.6	0	0	0	110.1	W363 V390 M391 N395 L407 V409 K412 L413	W363-Y397 HydrophobicContact CH2-CD1 4.2Å; W363-Y397 HydrophobicContact CH2-CE1 4.23Å; W363-Y397 HydrophobicContact CZ2-CD1 4.18Å; W363-Y397 AromaticContact CZ2-CE1 3.78Å; W363-Y397 HydrophobicContact CZ2-CE1 3.78Å; V390-Y397 VanDerWaalsContact O-CA 3.29Å; V390-Y397 WeakPolarHBondContact O-CA 3.21Å; M391-Y397 HydrophobicContact CB-CD1 3.81Å; M391-Y397 HydrophobicContact CB-CE1 3.76Å; M391-Y397 HydrophobicContact CG-CD1 3.84Å; M391-Y397 HydrophobicContact CG-CE1 3.47Å; M391-Y397 VanDerWaalsContact CG-CE1 3.47Å; M391-Y397 HydrophobicContact SD-CD1 4.41Å; M391-Y397 HydrophobicContact SD-CE1 3.47Å; M391-Y397 WeakPolarHBondContact SD-CE1 3.39Å; M391-Y397 PolarHBondContact SD-OH 2.88Å; M391-Y397 VanDerWaalsContact SD-OH 3.4Å; N395-Y397 VanDerWaalsContact O-CD2 3.24Å; N395-Y397 WeakPolarHBondContact O-CD2 3.16Å; N395-Y397 VanDerWaalsContact O-CE2 3.26Å; N395-Y397 WeakPolarHBondContact O-CE2 3.36Å; Y397-L407 PolarHBondContact O-N 2.94Å; Y397-V409 HydrophobicContact CD1-CG2 4.31Å; Y397-V409 HydrophobicContact CD2-CB 3.72Å; Y397-V409 HydrophobicContact CD2-CG1 4.41Å; Y397-V409 HydrophobicContact CD2-CG2 3.49Å; Y397-V409 VanDerWaalsContact CD2-CG2 3.49Å; Y397-V409 HydrophobicContact CE2-CB 3.96Å; Y397-V409 HydrophobicContact CE2-CG1 4.27Å; Y397-V409 HydrophobicContact CE2-CG2 4.16Å; Y397-V409 HydrophobicContact CG-CB 4.3Å; Y397-V409 HydrophobicContact CG-CG2 3.58Å; Y397-K412 WeakPolarHBondContact OH-CA 3.43Å; Y397-L413 HydrophobicContact CD1-CD1 3.9Å; Y397-L413 HydrophobicContact CE1-CB 4.36Å; Y397-L413 HydrophobicContact CE1-CD1 3.62Å; Y397-L413 HydrophobicContact CE1-CG 3.91Å; Y397-L413 PolarHBondContact OH-N 3.35Å
398	S	97.8	Very high	94.3	Very high	9 Å²	9	56 Å²	56	6%	0.063	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	146.3	176.8	-67.8	0	0	0	0	111.2	V389 V390 T405	V389-S398 CarbonylContact C-O 3.52Å; V389-S398 WeakPolarHBondContact CA-O 3.22Å; V390-S398 WeakPolarHBondContact CG1-O 3.33Å; V390-S398 PolarHBondContact N-O 3.33Å; V390-S398 PolarHBondContact O-N 2.64Å; S398-T405 CarbonylContact C-O 3.56Å; S398-T405 WeakPolarHBondContact CA-O 3.4Å
399	A	98.1	Very high	94.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	136.8	156.6	0	0	0	0	0	108.5	V389 T401 T405 L407 Y439	V389-A399 HydrophobicContact CG1-CB 4.47Å; A399-T401 HydrophobicContact CB-CG2 4.35Å; A399-T401 PolarHBondContact O-N 3.24Å; A399-T401 PolarHBondContact O-OG1 3.48Å; A399-T405 PolarHBondContact N-O 3.07Å; A399-T405 PolarHBondContact O-N 3.47Å; A399-L407 HydrophobicContact CB-CD2 4.06Å; A399-Y439 HydrophobicContact CB-CD1 3.54Å; A399-Y439 HydrophobicContact CB-CD2 3.81Å; A399-Y439 HydrophobicContact CB-CE1 3.71Å; A399-Y439 HydrophobicContact CB-CE2 3.97Å; A399-Y439 HydrophobicContact CB-CG 3.61Å
400	C	97	Very high	93.5	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.33	C	S	.	.			trans	-78.7	51.5	-177.6	-53.8	0	0	0	0	111.3	I380 P382 C388 Y441	I380-C400 HydrophobicContact CG2-CB 4.18Å; I380-C400 WeakPolarHBondContact O-CB 3.27Å; P382-C400 WeakPolarHBondContact CD-O 3.47Å; C388-C400 HydrophobicContact CB-CB 4.41Å; C388-C400 WeakPolarHBondContact O-CB 3.46Å; C388-C400 PolarHBondContact O-N 3.13Å; C388-C400 PolarHBondContact O-SG 3.35Å; C400-Y441 PolarHBondContact N-OH 3.45Å
401	T	96.4	Very high	93.2	Very high	15 Å²	15	69.2 Å²	69.2	9%	0.092	35%	0.35	C	S	.	.			trans	-79.1	-179.1	176.8	39.2	0	0	0	0	112.3	A399 P403 W404 T405 Y439 Y441	A399-T401 HydrophobicContact CB-CG2 4.35Å; A399-T401 PolarHBondContact O-N 3.24Å; A399-T401 PolarHBondContact O-OG1 3.48Å; T401-P403 CarbonylContact C-O 3.55Å; T401-P403 VanDerWaalsContact C-O 3.29Å; T401-P403 WeakPolarHBondContact CB-O 3.39Å; T401-P403 CarbonylContact O-C 3.6Å; T401-P403 PolarHBondContact OG1-O 2.91Å; T401-W404 PolarHBondContact O-N 3.46Å; T401-W404 VanDerWaalsContact O-N 3.09Å; T401-T405 VanDerWaalsContact OG1-CB 3.27Å; T401-T405 WeakPolarHBondContact OG1-CB 3.49Å; T401-T405 PolarHBondContact OG1-N 3.37Å; T401-T405 PolarHBondContact OG1-OG1 2.92Å; T401-Y439 HydrophobicContact CG2-CE1 4.09Å; T401-Y439 WeakPolarHBondContact CG2-OH 3.35Å; T401-Y441 HydrophobicContact CG2-CE1 3.74Å
402	E	93.9	Very high	93	Very high	95 Å²	95	73.5 Å²	73.5	44%	0.444	37%	0.369	S	S	.	.	S	Bend	trans	-119.3	96.8	179.1	-65.4	176.1	-142.1	0	0	109.9	Q381 S383	Q381-E402 HydrophobicContact CB-CG 3.64Å; Q381-E402 WeakPolarHBondContact CB-OE1 3.43Å; Q381-E402 HydrophobicContact CG-CG 4.08Å; Q381-E402 WeakPolarHBondContact CG-OE1 3.29Å; Q381-E402 PolarHBondContact NE2-OE1 3.13Å; S383-E402 WeakPolarHBondContact CB-OE1 3.21Å; S383-E402 PolarHBondContact N-OE1 3.11Å; S383-E402 PolarHBondContact OG-OE1 3.43Å; S383-E402 PolarHBondContact OG-OE2 3.32Å; S383-E402 VanDerWaalsContact OG-OE2 3.13Å
403	P	94.7	Very high	93.2	Very high	114 Å²	114	71.7 Å²	71.7	74%	0.74	36%	0.36	S	S	*	.	S	Bend	cis	-76.2	166.5	-4.5	34.2	-37	0	0	0	113.4	T401 T405	T401-P403 CarbonylContact C-O 3.55Å; T401-P403 VanDerWaalsContact C-O 3.29Å; T401-P403 WeakPolarHBondContact CB-O 3.39Å; T401-P403 CarbonylContact O-C 3.6Å; T401-P403 PolarHBondContact OG1-O 2.91Å; P403-T405 PolarHBondContact O-N 3.17Å
404	W	95	Very high	93.7	Very high	132 Å²	132	71.5 Å²	71.5	50%	0.5	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-54.7	131.9	-179	-74.8	18.4	0	0	0	112	V390 T401	V390-W404 HydrophobicContact CG1-CE3 4.4Å; V390-W404 HydrophobicContact CG1-CH2 4.46Å; V390-W404 HydrophobicContact CG1-CZ3 4.08Å; T401-W404 PolarHBondContact O-N 3.46Å; T401-W404 VanDerWaalsContact O-N 3.09Å
405	T	96.9	Very high	94.2	Very high	59 Å²	59	72.4 Å²	72.4	36%	0.362	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.4	-178.5	-61.1	0	0	0	0	109.6	S398 A399 T401 P403 Y439	S398-T405 CarbonylContact C-O 3.56Å; S398-T405 WeakPolarHBondContact CA-O 3.4Å; A399-T405 PolarHBondContact N-O 3.07Å; A399-T405 PolarHBondContact O-N 3.47Å; T401-T405 VanDerWaalsContact OG1-CB 3.27Å; T401-T405 WeakPolarHBondContact OG1-CB 3.49Å; T401-T405 PolarHBondContact OG1-N 3.37Å; T401-T405 PolarHBondContact OG1-OG1 2.92Å; P403-T405 PolarHBondContact O-N 3.17Å; T405-Y439 HydrophobicContact CG2-CE2 4.26Å
406	R	96.9	Very high	94.7	Very high	184 Å²	184	67.3 Å²	67.3	69%	0.694	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	134.8	174.9	179.8	176.3	-85.1	-176.5	-7.7	110.4
407	L	96.6	Very high	94.9	Very high	21 Å²	21	64 Å²	64	11%	0.11	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-98.3	139.6	177.6	-52.8	-179	0	0	0	110.2	V389 Y397 A399 V409 Y439	V389-L407 HydrophobicContact CB-CD1 4.41Å; V389-L407 HydrophobicContact CG1-CD1 4.01Å; Y397-L407 PolarHBondContact O-N 2.94Å; A399-L407 HydrophobicContact CB-CD2 4.06Å; L407-V409 HydrophobicContact CB-CG2 4.09Å; L407-V409 PolarHBondContact O-N 3.24Å; L407-Y439 HydrophobicContact CD2-CD2 3.65Å; L407-Y439 HydrophobicContact CD2-CG 4.06Å
408	N	91.2	Very high	94.9	Very high	163 Å²	163	63.7 Å²	63.7	87%	0.872	31%	0.31	S	S	*	.			trans	-94	91.1	175.4	-171.8	9.7	0	0	0	109.8
409	V	93	Very high	94.9	Very high	23 Å²	23	65.8 Å²	65.8	14%	0.139	32%	0.317	C	S	.	.			trans	-100.2	124.5	-178.9	-167.2	0	0	0	0	109.2	Y397 L407 S411 L413 L438	Y397-V409 HydrophobicContact CD1-CG2 4.31Å; Y397-V409 HydrophobicContact CD2-CB 3.72Å; Y397-V409 HydrophobicContact CD2-CG1 4.41Å; Y397-V409 HydrophobicContact CD2-CG2 3.49Å; Y397-V409 VanDerWaalsContact CD2-CG2 3.49Å; Y397-V409 HydrophobicContact CE2-CB 3.96Å; Y397-V409 HydrophobicContact CE2-CG1 4.27Å; Y397-V409 HydrophobicContact CE2-CG2 4.16Å; Y397-V409 HydrophobicContact CG-CB 4.3Å; Y397-V409 HydrophobicContact CG-CG2 3.58Å; L407-V409 HydrophobicContact CB-CG2 4.09Å; L407-V409 PolarHBondContact O-N 3.24Å; V409-S411 WeakPolarHBondContact CG1-O 3.33Å; V409-L413 HydrophobicContact CG1-CD1 4.33Å; V409-L413 HydrophobicContact CG1-CD2 3.62Å; V409-L413 HydrophobicContact CG1-CG 3.84Å; V409-L438 HydrophobicContact CG1-CD2 4.38Å; V409-L438 HydrophobicContact CG2-CD2 4.23Å
410	K	86.9	Confident	94.9	Very high	200 Å²	200	65.8 Å²	65.8	87%	0.87	32%	0.317	S	S	*	.	S	Bend	trans	-69.1	-36.2	-173	-65.9	179.7	-178.9	174.3	0	113.6
411	S	89.1	Confident	94.8	Very high	67 Å²	67	66 Å²	66	47%	0.469	32%	0.318	S	S	.	.	S	Bend	trans	-141.8	161.3	-177.6	55.4	0	0	0	0	109.6	V409 L413	V409-S411 WeakPolarHBondContact CG1-O 3.33Å; S411-L413 PolarHBondContact O-N 3.06Å
412	K	92.3	Very high	94.7	Very high	90 Å²	90	66.9 Å²	66.9	39%	0.391	32%	0.32	S	S	.	.			trans	-57.3	132.7	174.9	-166.4	-175.3	-174.6	-164.7	0	109.7	S358 K360 Y397	S358-K412 WeakPolarHBondContact O-CE 3.49Å; S358-K412 PolarHBondContact O-NZ 3.4Å; K360-K412 WeakPolarHBondContact O-CE 3.19Å; K360-K412 PolarHBondContact O-NZ 3.37Å; Y397-K412 WeakPolarHBondContact OH-CA 3.43Å
413	L	95	Very high	94.7	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.01	33%	0.327	C	S	.	.			trans	-73.7	128.9	179.6	-61.5	174.9	0	0	0	109.6	V357 W363 Y397 V409 S411 V416 N431 L438	V357-L413 HydrophobicContact CG2-CB 4.11Å; V357-L413 WeakPolarHBondContact CG2-O 3.27Å; W363-L413 HydrophobicContact CH2-CD1 4.14Å; W363-L413 HydrophobicContact CZ2-CD1 4.25Å; Y397-L413 HydrophobicContact CD1-CD1 3.9Å; Y397-L413 HydrophobicContact CE1-CB 4.36Å; Y397-L413 HydrophobicContact CE1-CD1 3.62Å; Y397-L413 HydrophobicContact CE1-CG 3.91Å; Y397-L413 PolarHBondContact OH-N 3.35Å; V409-L413 HydrophobicContact CG1-CD1 4.33Å; V409-L413 HydrophobicContact CG1-CD2 3.62Å; V409-L413 HydrophobicContact CG1-CG 3.84Å; S411-L413 PolarHBondContact O-N 3.06Å; L413-V416 HydrophobicContact CB-CG2 4.29Å; L413-V416 HydrophobicContact CD1-CG2 3.85Å; L413-N431 HydrophobicContact CD2-CB 3.72Å; L413-L438 HydrophobicContact CD1-CD1 3.79Å; L413-L438 HydrophobicContact CD2-CD1 4.34Å; L413-L438 HydrophobicContact CD2-CD2 4.3Å
414	E	94.5	Very high	94.6	Very high	124 Å²	124	67.9 Å²	67.9	58%	0.579	32%	0.321	S	S	*	.	S	Bend	trans	-89.7	-38.3	168.4	-58.3	-169.1	175	0	0	111	V357 S358 D433	V357-E414 PolarHBondContact N-O 3.43Å; S358-E414 PolarHBondContact N-O 2.95Å; S358-E414 VanDerWaalsContact N-O 3.09Å; E414-D433 WeakPolarHBondContact CB-OD2 3.35Å
415	K	95.4	Very high	94.7	Very high	39 Å²	39	61.6 Å²	61.6	17%	0.17	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.5	179.1	-159.8	-170.1	-44.1	172.4	0	112	E354 V355 M356 N431 A432 D433 N472	E354-K415 HydrophobicContact CB-CD 3.63Å; E354-K415 HydrophobicContact CB-CG 4.06Å; E354-K415 HydrophobicContact CG-CD 4.08Å; E354-K415 WeakPolarHBondContact OE2-CD 3.49Å; E354-K415 IonicContact OE2-NZ 3.88Å; E354-K415 PolarHBondContact OE2-NZ 3Å; V355-K415 WeakPolarHBondContact O-CA 3.33Å; V355-K415 WeakPolarHBondContact O-CG 3.32Å; M356-K415 HydrophobicContact CG-CG 4.22Å; K415-N431 PolarHBondContact O-OD1 2.85Å; K415-A432 HydrophobicContact CB-CB 3.96Å; K415-A432 HydrophobicContact CD-CB 3.74Å; K415-A432 HydrophobicContact CG-CB 3.86Å; K415-A432 PolarHBondContact O-N 3.39Å; K415-D433 PolarHBondContact N-OD2 2.75Å; K415-N472 HydrophobicContact CD-CB 4.38Å; K415-N472 PolarHBondContact NZ-ND2 2.96Å
416	V	97.3	Very high	94.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.1	175.6	-174.7	0	0	0	0	110	E354 V355 V357 W363 I365 L413 F429 Y430 L438	E354-V416 CarbonylContact C-O 3.57Å; E354-V416 WeakPolarHBondContact CA-O 3.42Å; V355-V416 PolarHBondContact N-O 3.3Å; V355-V416 PolarHBondContact O-N 2.83Å; V357-V416 HydrophobicContact CG1-CG2 4.39Å; V357-V416 HydrophobicContact CG2-CG2 4.03Å; W363-V416 HydrophobicContact CH2-CG2 3.76Å; W363-V416 HydrophobicContact CZ2-CG2 4.14Å; W363-V416 HydrophobicContact CZ3-CG2 4.47Å; I365-V416 HydrophobicContact CD1-CB 3.32Å; I365-V416 HydrophobicContact CD1-CG1 3.47Å; I365-V416 VanDerWaalsContact CD1-CG1 3.47Å; I365-V416 HydrophobicContact CD1-CG2 3.7Å; L413-V416 HydrophobicContact CB-CG2 4.29Å; L413-V416 HydrophobicContact CD1-CG2 3.85Å; V416-F429 HydrophobicContact CG1-CD1 4.25Å; V416-Y430 WeakPolarHBondContact CA-O 3.34Å; V416-L438 HydrophobicContact CG1-CD1 4.32Å
417	G	97.3	Very high	94.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.7	173.7	0	0	0	0	0	110.2	W353 F429 Y430	W353-G417 WeakPolarHBondContact O-CA 3.31Å; G417-F429 WeakPolarHBondContact O-CA 3.47Å; G417-Y430 PolarHBondContact N-O 3.31Å; G417-Y430 PolarHBondContact O-N 2.92Å
418	V	98.1	Very high	94.7	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.4	176.9	-171.7	0	0	0	0	108.1	Y352 W353 L427 F429	Y352-V418 CarbonylContact C-O 3.57Å; Y352-V418 VanDerWaalsContact CA-O 3.26Å; Y352-V418 WeakPolarHBondContact CA-O 3.45Å; Y352-V418 VanDerWaalsContact CD2-O 3.3Å; Y352-V418 WeakPolarHBondContact CD2-O 3.31Å; W353-V418 HydrophobicContact CD2-CB 3.97Å; W353-V418 HydrophobicContact CD2-CG1 4.44Å; W353-V418 HydrophobicContact CG-CB 4.43Å; W353-V418 HydrophobicContact CH2-CB 4.26Å; W353-V418 HydrophobicContact CH2-CG1 3.67Å; W353-V418 HydrophobicContact CZ2-CB 3.69Å; W353-V418 HydrophobicContact CZ2-CG1 3.33Å; W353-V418 HydrophobicContact CZ2-CG2 4.33Å; W353-V418 HydrophobicContact CZ3-CG1 4.35Å; W353-V418 PolarHBondContact N-O 3.41Å; W353-V418 PolarHBondContact O-N 2.91Å; V418-L427 HydrophobicContact CG1-CD1 3.7Å; V418-F429 HydrophobicContact CB-CE1 4.46Å; V418-F429 HydrophobicContact CG1-CD1 4.41Å; V418-F429 HydrophobicContact CG1-CE1 3.98Å; V418-F429 HydrophobicContact CG1-CZ 4.37Å; V418-F429 HydrophobicContact CG2-CD1 3.92Å; V418-F429 HydrophobicContact CG2-CE1 3.8Å
419	Y	97.6	Very high	95.1	Very high	53 Å²	53	43.2 Å²	43.2	21%	0.208	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.3	179.3	174.9	-96.4	0	0	0	109.9	P292 V350 H351 D421 L427 V428 Y430	P292-Y419 HydrophobicContact CG-CD2 4.05Å; P292-Y419 HydrophobicContact CG-CE2 3.8Å; V350-Y419 HydrophobicContact CG1-CD2 4.36Å; V350-Y419 HydrophobicContact CG1-CE2 3.4Å; V350-Y419 VanDerWaalsContact CG1-OH 3.3Å; V350-Y419 WeakPolarHBondContact CG1-OH 3.44Å; H351-Y419 CarbonylContact O-C 3.47Å; H351-Y419 WeakPolarHBondContact O-CA 3.5Å; Y419-D421 HydrophobicContact CE1-CB 3.75Å; Y419-L427 CarbonylContact O-C 3.06Å; Y419-L427 WeakPolarHBondContact O-CA 3.46Å; Y419-V428 HydrophobicContact CD1-CB 4.27Å; Y419-V428 HydrophobicContact CD1-CG2 4.06Å; Y419-V428 PolarHBondContact N-O 2.88Å; Y419-V428 PolarHBondContact O-N 2.94Å; Y419-Y430 HydrophobicContact CG-CE2 4.4Å
420	L	97.1	Very high	95.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.1	178.7	173.7	63	0	0	0	109.1	F346 V350 H351 W353 Y422 L427 F446 L450	F346-L420 HydrophobicContact CB-CD2 3.76Å; F346-L420 HydrophobicContact CD2-CD2 3.84Å; F346-L420 HydrophobicContact CG-CD2 4.14Å; V350-L420 CarbonylContact C-O 3.45Å; V350-L420 VanDerWaalsContact CA-O 3.26Å; V350-L420 WeakPolarHBondContact CA-O 3.34Å; H351-L420 HydrophobicContact CB-CB 4.42Å; H351-L420 PolarHBondContact N-O 3.41Å; H351-L420 PolarHBondContact O-N 2.85Å; W353-L420 HydrophobicContact CH2-CB 4.49Å; W353-L420 HydrophobicContact CZ3-CB 4.25Å; L420-Y422 HydrophobicContact CD2-CD2 4.45Å; L420-L427 HydrophobicContact CB-CD1 4.09Å; L420-L427 HydrophobicContact CD1-CD1 4.19Å; L420-F446 HydrophobicContact CD1-CD2 4.28Å; L420-F446 HydrophobicContact CD1-CE2 3.56Å; L420-F446 HydrophobicContact CD1-CZ 4.05Å; L420-L450 HydrophobicContact CD1-CD1 3.9Å; L420-L450 HydrophobicContact CD2-CD1 4.28Å
421	D	95.8	Very high	95.7	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.032	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	87.7	164.1	-174.7	-22.8	0	0	0	107.2	V350 Y419 P423 K424 G425 L426	V350-D421 HydrophobicContact CG2-CB 4.41Å; Y419-D421 HydrophobicContact CE1-CB 3.75Å; D421-P423 WeakPolarHBondContact OD1-CD 3.4Å; D421-K424 HydrophobicContact CB-CB 4.39Å; D421-K424 PolarHBondContact O-N 3.12Å; D421-K424 WeakPolarHBondContact OD1-CG 3.4Å; D421-K424 PolarHBondContact OD1-N 2.86Å; D421-K424 WeakPolarHBondContact OD2-CD 3.39Å; D421-K424 VanDerWaalsContact OD2-CE 3.32Å; D421-K424 WeakPolarHBondContact OD2-CE 3.43Å; D421-K424 WeakPolarHBondContact OD2-CG 3.35Å; D421-K424 IonicContact OD2-NZ 2.91Å; D421-K424 PolarHBondContact OD2-NZ 2.95Å; D421-G425 PolarHBondContact O-N 2.91Å; D421-G425 VanDerWaalsContact O-N 3.1Å; D421-L426 HydrophobicContact CB-CB 4.23Å; D421-L426 PolarHBondContact N-O 3.48Å; D421-L426 PolarHBondContact O-N 3.29Å
422	Y	94.9	Very high	95.9	Very high	32 Å²	32	32.8 Å²	32.8	13%	0.125	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-46.1	-174.1	-170.3	-75.2	0	0	0	112.1	F346 G347 G349 L420 K424 G425 F446 A448 L450	F346-Y422 WeakPolarHBondContact O-CD2 3.4Å; F346-Y422 WeakPolarHBondContact O-CE2 3.22Å; G347-Y422 WeakPolarHBondContact O-CD1 3.34Å; G347-Y422 WeakPolarHBondContact O-CE1 3.38Å; G349-Y422 WeakPolarHBondContact O-CB 3.12Å; G349-Y422 PolarHBondContact O-N 3.13Å; G349-Y422 VanDerWaalsContact O-N 3.09Å; L420-Y422 HydrophobicContact CD2-CD2 4.45Å; Y422-K424 VanDerWaalsContact C-N 3.28Å; Y422-K424 PolarHBondContact O-N 3.36Å; Y422-G425 PolarHBondContact O-N 3Å; Y422-G425 VanDerWaalsContact O-N 3.07Å; Y422-F446 HydrophobicContact CD2-CB 4.37Å; Y422-F446 AromaticContact CD2-CD2 3.91Å; Y422-F446 HydrophobicContact CD2-CD2 3.91Å; Y422-F446 HydrophobicContact CE1-CB 4.47Å; Y422-F446 HydrophobicContact CE2-CB 3.78Å; Y422-F446 HydrophobicContact CE2-CD2 4.2Å; Y422-F446 HydrophobicContact CE2-CG 4.37Å; Y422-F446 HydrophobicContact CG-CD2 4.17Å; Y422-F446 PolarHBondContact OH-O 3.14Å; Y422-A448 PolarHBondContact OH-O 3.39Å; Y422-A448 VanDerWaalsContact OH-O 3.14Å; Y422-L450 HydrophobicContact CD2-CD1 4.25Å; Y422-L450 HydrophobicContact CE2-CD1 4.29Å; Y422-L450 HydrophobicContact CE2-CG 4.31Å
423	P	94.1	Very high	95.9	Very high	93 Å²	93	32.5 Å²	32.5	60%	0.604	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.9	177.7	-25.5	34.9	0	0	0	114.3	G349 D421	G349-P423 WeakPolarHBondContact O-CD 3.43Å; D421-P423 WeakPolarHBondContact OD1-CD 3.4Å
424	K	92.6	Very high	95.8	Very high	137 Å²	137	36.9 Å²	36.9	60%	0.596	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.8	177.4	-63.7	-169.4	-161.2	124.3	0	113.9	D421 Y422 L426	D421-K424 HydrophobicContact CB-CB 4.39Å; D421-K424 PolarHBondContact O-N 3.12Å; D421-K424 WeakPolarHBondContact OD1-CG 3.4Å; D421-K424 PolarHBondContact OD1-N 2.86Å; D421-K424 WeakPolarHBondContact OD2-CD 3.39Å; D421-K424 VanDerWaalsContact OD2-CE 3.32Å; D421-K424 WeakPolarHBondContact OD2-CE 3.43Å; D421-K424 WeakPolarHBondContact OD2-CG 3.35Å; D421-K424 IonicContact OD2-NZ 2.91Å; D421-K424 PolarHBondContact OD2-NZ 2.95Å; Y422-K424 VanDerWaalsContact C-N 3.28Å; Y422-K424 PolarHBondContact O-N 3.36Å; K424-L426 VanDerWaalsContact C-N 3.27Å; K424-L426 HydrophobicContact CB-CD1 3.99Å; K424-L426 HydrophobicContact CB-CG 3.93Å; K424-L426 HydrophobicContact CD-CD1 4.3Å; K424-L426 PolarHBondContact O-N 3.22Å
425	G	95.2	Very high	95.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	31.9	-176.1	0	0	0	0	0	113.1	D421 Y422 E443 F446	D421-G425 PolarHBondContact O-N 2.91Å; D421-G425 VanDerWaalsContact O-N 3.1Å; Y422-G425 PolarHBondContact O-N 3Å; Y422-G425 VanDerWaalsContact O-N 3.07Å; G425-E443 WeakPolarHBondContact CA-O 3.31Å; G425-E443 PolarHBondContact O-N 3.49Å; G425-F446 VanDerWaalsContact CA-CE2 3.44Å
426	L	96.2	Very high	95.7	Very high	31 Å²	31	36 Å²	36	16%	0.162	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129	-178	-58.3	175.8	0	0	0	111	D421 K424 T440 R442	D421-L426 HydrophobicContact CB-CB 4.23Å; D421-L426 PolarHBondContact N-O 3.48Å; D421-L426 PolarHBondContact O-N 3.29Å; K424-L426 VanDerWaalsContact C-N 3.27Å; K424-L426 HydrophobicContact CB-CD1 3.99Å; K424-L426 HydrophobicContact CB-CG 3.93Å; K424-L426 HydrophobicContact CD-CD1 4.3Å; K424-L426 PolarHBondContact O-N 3.22Å; L426-T440 HydrophobicContact CD2-CG2 4.44Å; L426-R442 HydrophobicContact CD2-CB 4.33Å; L426-R442 HydrophobicContact CD2-CG 3.72Å
427	L	98.1	Very high	95.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.4	166.7	179.7	78.2	0	0	0	108.6	V367 Y387 V418 Y419 L420 F429 T440 Y441 F446	V367-L427 HydrophobicContact CG1-CD1 4.13Å; V367-L427 HydrophobicContact CG2-CD1 4.18Å; V367-L427 HydrophobicContact CG2-CD2 3.56Å; V367-L427 HydrophobicContact CG2-CG 4.49Å; Y387-L427 VanDerWaalsContact CB-CD2 3.43Å; Y387-L427 HydrophobicContact CG-CD2 4.41Å; V418-L427 HydrophobicContact CG1-CD1 3.7Å; Y419-L427 CarbonylContact O-C 3.06Å; Y419-L427 WeakPolarHBondContact O-CA 3.46Å; L420-L427 HydrophobicContact CB-CD1 4.09Å; L420-L427 HydrophobicContact CD1-CD1 4.19Å; L427-F429 HydrophobicContact CD2-CE2 3.63Å; L427-F429 HydrophobicContact CD2-CZ 3.77Å; L427-F429 HydrophobicContact CG-CE2 3.88Å; L427-F429 HydrophobicContact CG-CZ 4.2Å; L427-T440 CarbonylContact O-C 3.51Å; L427-T440 WeakPolarHBondContact O-CA 3.48Å; L427-Y441 HydrophobicContact CD2-CD2 4.1Å; L427-Y441 PolarHBondContact N-O 3.46Å; L427-Y441 VanDerWaalsContact N-O 3.08Å; L427-Y441 PolarHBondContact O-N 3.45Å; L427-F446 HydrophobicContact CB-CZ 4.34Å
428	V	98.2	Very high	95.7	Very high	10 Å²	10	44.1 Å²	44.1	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.2	-174.3	-167.2	0	0	0	0	110.1	Y419 Y430 Y439 T440	Y419-V428 HydrophobicContact CD1-CB 4.27Å; Y419-V428 HydrophobicContact CD1-CG2 4.06Å; Y419-V428 PolarHBondContact N-O 2.88Å; Y419-V428 PolarHBondContact O-N 2.94Å; V428-Y430 HydrophobicContact CB-CE2 3.74Å; V428-Y430 HydrophobicContact CG1-CD2 4.27Å; V428-Y430 HydrophobicContact CG1-CE1 3.83Å; V428-Y430 HydrophobicContact CG1-CE2 3.55Å; V428-Y430 WeakPolarHBondContact CG1-OH 3.38Å; V428-Y439 WeakPolarHBondContact CA-O 3.3Å; V428-T440 WeakPolarHBondContact CG1-OG1 3.24Å; V428-T440 HydrophobicContact CG2-CG2 3.94Å
429	F	98.4	Very high	95.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.6	175.5	-65.3	-91	0	0	0	109.9	V389 V416 G417 V418 L427 L438 Y439 Y441	V389-F429 HydrophobicContact CB-CD1 4.34Å; V389-F429 HydrophobicContact CG1-CB 4.16Å; V389-F429 HydrophobicContact CG1-CD1 3.98Å; V389-F429 HydrophobicContact CG1-CD2 3.73Å; V389-F429 HydrophobicContact CG1-CE1 4.28Å; V389-F429 HydrophobicContact CG1-CE2 4.07Å; V389-F429 HydrophobicContact CG1-CG 3.68Å; V389-F429 HydrophobicContact CG1-CZ 4.32Å; V389-F429 HydrophobicContact CG2-CD1 3.41Å; V389-F429 VanDerWaalsContact CG2-CD1 3.41Å; V389-F429 HydrophobicContact CG2-CE1 3.64Å; V389-F429 HydrophobicContact CG2-CG 3.96Å; V389-F429 HydrophobicContact CG2-CZ 4.37Å; V416-F429 HydrophobicContact CG1-CD1 4.25Å; G417-F429 WeakPolarHBondContact O-CA 3.47Å; V418-F429 HydrophobicContact CB-CE1 4.46Å; V418-F429 HydrophobicContact CG1-CD1 4.41Å; V418-F429 HydrophobicContact CG1-CE1 3.98Å; V418-F429 HydrophobicContact CG1-CZ 4.37Å; V418-F429 HydrophobicContact CG2-CD1 3.92Å; V418-F429 HydrophobicContact CG2-CE1 3.8Å; L427-F429 HydrophobicContact CD2-CE2 3.63Å; L427-F429 HydrophobicContact CD2-CZ 3.77Å; L427-F429 HydrophobicContact CG-CE2 3.88Å; L427-F429 HydrophobicContact CG-CZ 4.2Å; F429-L438 HydrophobicContact CB-CB 4.16Å; F429-L438 WeakPolarHBondContact O-CB 3.32Å; F429-L438 PolarHBondContact O-N 3.26Å; F429-Y439 PolarHBondContact N-O 3.25Å; F429-Y439 PolarHBondContact O-N 2.9Å; F429-Y441 HydrophobicContact CD2-CD2 4.43Å; F429-Y441 HydrophobicContact CD2-CE2 4.46Å; F429-Y441 AromaticContact CE2-CD2 3.81Å; F429-Y441 HydrophobicContact CE2-CD2 3.81Å; F429-Y441 AromaticContact CE2-CE2 3.78Å; F429-Y441 HydrophobicContact CE2-CE2 3.78Å
430	Y	97.1	Very high	95.7	Very high	52 Å²	52	45 Å²	45	20%	0.204	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.6	179.3	-56.3	-87.6	0	0	0	110.7	Y352 V416 G417 Y419 V428 A432 M435 S436 L438	Y352-Y430 HydrophobicContact CE2-CD2 4.48Å; V416-Y430 WeakPolarHBondContact CA-O 3.34Å; G417-Y430 PolarHBondContact N-O 3.31Å; G417-Y430 PolarHBondContact O-N 2.92Å; Y419-Y430 HydrophobicContact CG-CE2 4.4Å; V428-Y430 HydrophobicContact CB-CE2 3.74Å; V428-Y430 HydrophobicContact CG1-CD2 4.27Å; V428-Y430 HydrophobicContact CG1-CE1 3.83Å; V428-Y430 HydrophobicContact CG1-CE2 3.55Å; V428-Y430 WeakPolarHBondContact CG1-OH 3.38Å; Y430-A432 PolarHBondContact O-N 3.44Å; Y430-M435 HydrophobicContact CD2-CE 4.46Å; Y430-M435 HydrophobicContact CG-CE 4.29Å; Y430-S436 CarbonylContact C-O 3.57Å; Y430-S436 VanDerWaalsContact CA-O 3.27Å; Y430-S436 WeakPolarHBondContact CA-O 3.14Å; Y430-L438 WeakPolarHBondContact O-CD1 3.47Å
431	N	95.6	Very high	95.7	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.048	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	113.4	152.2	177.8	7.3	0	0	0	106.5	L413 K415 D433 D434 M435 S436 L438	L413-N431 HydrophobicContact CD2-CB 3.72Å; K415-N431 PolarHBondContact O-OD1 2.85Å; N431-D433 PolarHBondContact O-N 3.03Å; N431-D433 PolarHBondContact OD1-N 2.96Å; N431-D433 PolarHBondContact OD1-OD2 3.27Å; N431-D434 VanDerWaalsContact CB-OD1 3.31Å; N431-D434 WeakPolarHBondContact CB-OD1 3.47Å; N431-D434 VanDerWaalsContact CG-OD1 3.31Å; N431-D434 PolarHBondContact ND2-OD1 2.83Å; N431-D434 VanDerWaalsContact ND2-OD1 3.07Å; N431-M435 WeakPolarHBondContact O-CA 3.43Å; N431-M435 PolarHBondContact O-N 2.97Å; N431-S436 WeakPolarHBondContact CB-OG 3.48Å; N431-S436 PolarHBondContact N-O 3.16Å; N431-L438 HydrophobicContact CB-CD2 4.39Å
432	A	94.2	Very high	95.7	Very high	10 Å²	10	54.1 Å²	54.1	8%	0.083	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.6	-172.4	0	0	0	0	0	113.2	E354 K415 Y430	E354-A432 HydrophobicContact CG-CB 3.93Å; K415-A432 HydrophobicContact CB-CB 3.96Å; K415-A432 HydrophobicContact CD-CB 3.74Å; K415-A432 HydrophobicContact CG-CB 3.86Å; K415-A432 PolarHBondContact O-N 3.39Å; Y430-A432 PolarHBondContact O-N 3.44Å
433	D	91.9	Very high	95.5	Very high	84 Å²	84	55.8 Å²	55.8	45%	0.449	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-36	-179.2	-57.4	-49.5	0	0	0	112.3	E414 K415 N431	E414-D433 WeakPolarHBondContact CB-OD2 3.35Å; K415-D433 PolarHBondContact N-OD2 2.75Å; N431-D433 PolarHBondContact O-N 3.03Å; N431-D433 PolarHBondContact OD1-N 2.96Å; N431-D433 PolarHBondContact OD1-OD2 3.27Å
434	D	92.8	Very high	95.2	Very high	95 Å²	95	60.9 Å²	60.9	51%	0.508	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	3.2	-179.9	68.8	1.5	0	0	0	113.8	N431 S436	N431-D434 VanDerWaalsContact CB-OD1 3.31Å; N431-D434 WeakPolarHBondContact CB-OD1 3.47Å; N431-D434 VanDerWaalsContact CG-OD1 3.31Å; N431-D434 PolarHBondContact ND2-OD1 2.83Å; N431-D434 VanDerWaalsContact ND2-OD1 3.07Å; D434-S436 VanDerWaalsContact CG-OG 3.32Å; D434-S436 PolarHBondContact O-N 2.7Å; D434-S436 VanDerWaalsContact O-N 3.13Å; D434-S436 WeakPolarHBondContact OD1-CB 3.11Å; D434-S436 PolarHBondContact OD1-N 3.49Å; D434-S436 PolarHBondContact OD1-OG 2.9Å; D434-S436 PolarHBondContact OD2-OG 3.25Å
435	M	92.7	Very high	94.9	Very high	102 Å²	102	59.2 Å²	59.2	50%	0.502	28%	0.28	S	S	.	.			trans	55.1	21.9	-174.2	-62.6	-60.1	-63.6	0	0	114	Y430 N431	Y430-M435 HydrophobicContact CD2-CE 4.46Å; Y430-M435 HydrophobicContact CG-CE 4.29Å; N431-M435 WeakPolarHBondContact O-CA 3.43Å; N431-M435 PolarHBondContact O-N 2.97Å
436	S	94.9	Very high	94.5	Very high	42 Å²	42	59.5 Å²	59.5	29%	0.294	28%	0.281	S	S	.	.			trans	-69.3	135.8	174.8	63.5	0	0	0	0	110.7	Y430 N431 D434	Y430-S436 CarbonylContact C-O 3.57Å; Y430-S436 VanDerWaalsContact CA-O 3.27Å; Y430-S436 WeakPolarHBondContact CA-O 3.14Å; N431-S436 WeakPolarHBondContact CB-OG 3.48Å; N431-S436 PolarHBondContact N-O 3.16Å; D434-S436 VanDerWaalsContact CG-OG 3.32Å; D434-S436 PolarHBondContact O-N 2.7Å; D434-S436 VanDerWaalsContact O-N 3.13Å; D434-S436 WeakPolarHBondContact OD1-CB 3.11Å; D434-S436 PolarHBondContact OD1-N 3.49Å; D434-S436 PolarHBondContact OD1-OG 2.9Å; D434-S436 PolarHBondContact OD2-OG 3.25Å
437	W	96.8	Very high	93.7	Very high	156 Å²	156	62.7 Å²	62.7	59%	0.591	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	135.9	-179.7	172.8	87.2	0	0	0	111.3	T440	W437-T440 PolarHBondContact NE1-OG1 3.41Å
438	L	97	Very high	93.2	Very high	15 Å²	15	63.9 Å²	63.9	8%	0.079	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-53.9	174.6	-58.8	177	0	0	0	111.8	V409 L413 V416 F429 Y430 N431	V409-L438 HydrophobicContact CG1-CD2 4.38Å; V409-L438 HydrophobicContact CG2-CD2 4.23Å; L413-L438 HydrophobicContact CD1-CD1 3.79Å; L413-L438 HydrophobicContact CD2-CD1 4.34Å; L413-L438 HydrophobicContact CD2-CD2 4.3Å; V416-L438 HydrophobicContact CG1-CD1 4.32Å; F429-L438 HydrophobicContact CB-CB 4.16Å; F429-L438 WeakPolarHBondContact O-CB 3.32Å; F429-L438 PolarHBondContact O-N 3.26Å; Y430-L438 WeakPolarHBondContact O-CD1 3.47Å; N431-L438 HydrophobicContact CB-CD2 4.39Å
439	Y	98.1	Very high	93.1	Very high	45 Å²	45	67 Å²	67	18%	0.176	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	156.1	-176.8	-165.6	-102.2	0	0	0	112.4	A399 T401 T405 L407 V428 F429 Y441	A399-Y439 HydrophobicContact CB-CD1 3.54Å; A399-Y439 HydrophobicContact CB-CD2 3.81Å; A399-Y439 HydrophobicContact CB-CE1 3.71Å; A399-Y439 HydrophobicContact CB-CE2 3.97Å; A399-Y439 HydrophobicContact CB-CG 3.61Å; T401-Y439 HydrophobicContact CG2-CE1 4.09Å; T401-Y439 WeakPolarHBondContact CG2-OH 3.35Å; T405-Y439 HydrophobicContact CG2-CE2 4.26Å; L407-Y439 HydrophobicContact CD2-CD2 3.65Å; L407-Y439 HydrophobicContact CD2-CG 4.06Å; V428-Y439 WeakPolarHBondContact CA-O 3.3Å; F429-Y439 PolarHBondContact N-O 3.25Å; F429-Y439 PolarHBondContact O-N 2.9Å; Y439-Y441 AromaticContact CD1-CD2 3.77Å; Y439-Y441 HydrophobicContact CD1-CD2 3.77Å; Y439-Y441 AromaticContact CD1-CE2 3.65Å; Y439-Y441 HydrophobicContact CD1-CE2 3.65Å; Y439-Y441 HydrophobicContact CD1-CG 4.33Å; Y439-Y441 AromaticContact CE1-CD1 3.93Å; Y439-Y441 HydrophobicContact CE1-CD1 3.93Å; Y439-Y441 AromaticContact CE1-CD2 3.8Å; Y439-Y441 HydrophobicContact CE1-CD2 3.8Å; Y439-Y441 AromaticContact CE1-CE1 3.87Å; Y439-Y441 HydrophobicContact CE1-CE1 3.87Å; Y439-Y441 AromaticContact CE1-CE2 3.73Å; Y439-Y441 HydrophobicContact CE1-CE2 3.73Å; Y439-Y441 AromaticContact CE1-CG 3.91Å; Y439-Y441 HydrophobicContact CE1-CG 3.91Å; Y439-Y441 AromaticContact CE1-CZ 3.78Å
440	T	97.8	Very high	93	Very high	25 Å²	25	67 Å²	67	15%	0.153	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.8	173.1	-60.6	0	0	0	0	111.3	L426 L427 V428 W437 R442	L426-T440 HydrophobicContact CD2-CG2 4.44Å; L427-T440 CarbonylContact O-C 3.51Å; L427-T440 WeakPolarHBondContact O-CA 3.48Å; V428-T440 WeakPolarHBondContact CG1-OG1 3.24Å; V428-T440 HydrophobicContact CG2-CG2 3.94Å; W437-T440 PolarHBondContact NE1-OG1 3.41Å; T440-R442 HydrophobicContact CG2-CG 3.85Å
441	Y	97.4	Very high	93	Very high	10 Å²	10	64.9 Å²	64.9	4%	0.039	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	137.5	161.1	-67.5	-87.6	0	0	0	109.8	P382 Y387 C388 C400 T401 L427 F429 Y439	P382-Y441 HydrophobicContact CG-CD1 4.18Å; P382-Y441 HydrophobicContact CG-CE1 3.76Å; Y387-Y441 AromaticContact CD1-CD1 3.69Å; Y387-Y441 HydrophobicContact CD1-CD1 3.69Å; Y387-Y441 HydrophobicContact CD1-CE1 4.23Å; Y387-Y441 AromaticContact CD1-CG 3.84Å; Y387-Y441 HydrophobicContact CD1-CG 3.84Å; Y387-Y441 HydrophobicContact CE1-CD1 4.46Å; C388-Y441 PolarHBondContact O-OH 2.85Å; C400-Y441 PolarHBondContact N-OH 3.45Å; T401-Y441 HydrophobicContact CG2-CE1 3.74Å; L427-Y441 HydrophobicContact CD2-CD2 4.1Å; L427-Y441 PolarHBondContact N-O 3.46Å; L427-Y441 VanDerWaalsContact N-O 3.08Å; L427-Y441 PolarHBondContact O-N 3.45Å; F429-Y441 HydrophobicContact CD2-CD2 4.43Å; F429-Y441 HydrophobicContact CD2-CE2 4.46Å; F429-Y441 AromaticContact CE2-CD2 3.81Å; F429-Y441 HydrophobicContact CE2-CD2 3.81Å; F429-Y441 AromaticContact CE2-CE2 3.78Å; F429-Y441 HydrophobicContact CE2-CE2 3.78Å; Y439-Y441 AromaticContact CD1-CD2 3.77Å; Y439-Y441 HydrophobicContact CD1-CD2 3.77Å; Y439-Y441 AromaticContact CD1-CE2 3.65Å; Y439-Y441 HydrophobicContact CD1-CE2 3.65Å; Y439-Y441 HydrophobicContact CD1-CG 4.33Å; Y439-Y441 AromaticContact CE1-CD1 3.93Å; Y439-Y441 HydrophobicContact CE1-CD1 3.93Å; Y439-Y441 AromaticContact CE1-CD2 3.8Å; Y439-Y441 HydrophobicContact CE1-CD2 3.8Å; Y439-Y441 AromaticContact CE1-CE1 3.87Å; Y439-Y441 HydrophobicContact CE1-CE1 3.87Å; Y439-Y441 AromaticContact CE1-CE2 3.73Å; Y439-Y441 HydrophobicContact CE1-CE2 3.73Å; Y439-Y441 AromaticContact CE1-CG 3.91Å; Y439-Y441 HydrophobicContact CE1-CG 3.91Å; Y439-Y441 AromaticContact CE1-CZ 3.78Å
442	R	95.4	Very high	93.2	Very high	188 Å²	188	64.4 Å²	64.4	71%	0.709	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	117.5	176.8	-60	-171.7	174.6	-103.5	-1.4	109.1	L426 T440	L426-R442 HydrophobicContact CD2-CB 4.33Å; L426-R442 HydrophobicContact CD2-CG 3.72Å; T440-R442 HydrophobicContact CG2-CG 3.85Å
443	E	91.8	Very high	93.3	Very high	67 Å²	67	64 Å²	64	31%	0.313	31%	0.312	S	S	.	.			trans	-114.5	148.1	173.2	-71.5	-66	175.5	0	0	109.6	Y387 G425 T445 F446	Y387-E443 HydrophobicContact CE1-CG 3.85Å; Y387-E443 WeakPolarHBondContact CE1-OE1 3.41Å; Y387-E443 PolarHBondContact OH-OE1 3.34Å; G425-E443 WeakPolarHBondContact CA-O 3.31Å; G425-E443 PolarHBondContact O-N 3.49Å; E443-T445 VanDerWaalsContact C-N 3.28Å; E443-T445 PolarHBondContact O-N 3.06Å; E443-F446 HydrophobicContact CB-CD1 3.98Å; E443-F446 HydrophobicContact CB-CE1 3.85Å; E443-F446 HydrophobicContact CB-CZ 4.41Å; E443-F446 HydrophobicContact CG-CD1 3.89Å; E443-F446 HydrophobicContact CG-CE1 3.61Å; E443-F446 HydrophobicContact CG-CZ 4.49Å
444	K	86.8	Confident	93.6	Very high	201 Å²	201	60 Å²	60	87%	0.874	29%	0.291	S	S	*	.	S	Bend	trans	-64.5	-40.4	174	-174.7	178.3	178.3	-177.5	0	110.5
445	T	86.1	Confident	93.8	Very high	102 Å²	102	55.9 Å²	55.9	63%	0.626	27%	0.269	S	S	*	.	S	Bend	trans	-161	134.7	173.6	-51.5	0	0	0	0	107.6	E443	E443-T445 VanDerWaalsContact C-N 3.28Å; E443-T445 PolarHBondContact O-N 3.06Å
446	F	87.9	Confident	94	Very high	5 Å²	5	51 Å²	51	2%	0.022	25%	0.246	C	C	.	.			trans	-69	130.5	174.1	-67.3	-63.6	0	0	0	110.2	Y387 L420 Y422 G425 L427 E443 A448 L450	Y387-F446 HydrophobicContact CE2-CD1 4.5Å; Y387-F446 HydrophobicContact CE2-CE1 4.46Å; L420-F446 HydrophobicContact CD1-CD2 4.28Å; L420-F446 HydrophobicContact CD1-CE2 3.56Å; L420-F446 HydrophobicContact CD1-CZ 4.05Å; Y422-F446 HydrophobicContact CD2-CB 4.37Å; Y422-F446 AromaticContact CD2-CD2 3.91Å; Y422-F446 HydrophobicContact CD2-CD2 3.91Å; Y422-F446 HydrophobicContact CE1-CB 4.47Å; Y422-F446 HydrophobicContact CE2-CB 3.78Å; Y422-F446 HydrophobicContact CE2-CD2 4.2Å; Y422-F446 HydrophobicContact CE2-CG 4.37Å; Y422-F446 HydrophobicContact CG-CD2 4.17Å; Y422-F446 PolarHBondContact OH-O 3.14Å; G425-F446 VanDerWaalsContact CA-CE2 3.44Å; L427-F446 HydrophobicContact CB-CZ 4.34Å; E443-F446 HydrophobicContact CB-CD1 3.98Å; E443-F446 HydrophobicContact CB-CE1 3.85Å; E443-F446 HydrophobicContact CB-CZ 4.41Å; E443-F446 HydrophobicContact CG-CD1 3.89Å; E443-F446 HydrophobicContact CG-CE1 3.61Å; E443-F446 HydrophobicContact CG-CZ 4.49Å; F446-A448 VanDerWaalsContact C-N 3.29Å; F446-A448 PolarHBondContact O-N 3.34Å; F446-L450 HydrophobicContact CB-CD1 4.17Å; F446-L450 HydrophobicContact CD1-CD1 3.69Å; F446-L450 HydrophobicContact CD2-CD1 3.79Å; F446-L450 HydrophobicContact CE1-CD1 3.93Å; F446-L450 HydrophobicContact CE2-CD1 4.02Å; F446-L450 HydrophobicContact CG-CD1 3.61Å; F446-L450 HydrophobicContact CG-CG 4.45Å; F446-L450 HydrophobicContact CZ-CD1 4.1Å
447	P	78.9	Confident	93.8	Very high	98 Å²	98	49.2 Å²	49.2	64%	0.636	23%	0.234	S	C	*	.	S	Bend	trans	-74.8	-19.3	-170.4	29.3	-35.7	0	0	0	113.3
448	A	88.1	Confident	93.4	Very high	26 Å²	26	46.9 Å²	46.9	22%	0.215	23%	0.229	C	C	.	.	S	Bend	trans	-154.8	169.8	-175.8	0	0	0	0	0	110.9	N369 Y422 F446 L450	N369-A448 HydrophobicContact CB-CB 4.49Å; Y422-A448 PolarHBondContact OH-O 3.39Å; Y422-A448 VanDerWaalsContact OH-O 3.14Å; F446-A448 VanDerWaalsContact C-N 3.29Å; F446-A448 PolarHBondContact O-N 3.34Å; A448-L450 PolarHBondContact O-N 2.85Å
449	K	95.4	Very high	92.7	Very high	76 Å²	76	46.9 Å²	46.9	33%	0.33	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-55.7	131.6	170.6	-173.4	-179.8	168.1	-152.1	0	110.2	G345 F346 E370	G345-K449 VanDerWaalsContact CA-CE 3.47Å; G345-K449 WeakPolarHBondContact O-CE 3.2Å; F346-K449 WeakPolarHBondContact O-CA 3.35Å; E370-K449 HydrophobicContact CB-CB 4.48Å; E370-K449 PolarHBondContact N-O 3.23Å; E370-K449 IonicContact OE1-NZ 3.14Å; E370-K449 PolarHBondContact OE1-NZ 3.14Å
450	L	97.1	Very high	91.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.4	-177.7	-68.5	173.7	0	0	0	110.8	G345 F346 V367 A368 N369 Y387 L420 Y422 F446 A448	G345-L450 CarbonylContact C-O 3.59Å; G345-L450 WeakPolarHBondContact CA-O 3.47Å; F346-L450 PolarHBondContact N-O 3.45Å; F346-L450 PolarHBondContact O-N 3.08Å; V367-L450 HydrophobicContact CB-CB 4.25Å; V367-L450 HydrophobicContact CG2-CB 4.43Å; V367-L450 HydrophobicContact CG2-CD1 4.13Å; V367-L450 HydrophobicContact CG2-CD2 4.13Å; V367-L450 HydrophobicContact CG2-CG 4.49Å; A368-L450 CarbonylContact O-C 3.39Å; A368-L450 WeakPolarHBondContact O-CA 3.16Å; N369-L450 WeakPolarHBondContact OD1-CD2 3.44Å; Y387-L450 HydrophobicContact CD2-CD2 4.4Å; Y387-L450 HydrophobicContact CE2-CD2 4.38Å; L420-L450 HydrophobicContact CD1-CD1 3.9Å; L420-L450 HydrophobicContact CD2-CD1 4.28Å; Y422-L450 HydrophobicContact CD2-CD1 4.25Å; Y422-L450 HydrophobicContact CE2-CD1 4.29Å; Y422-L450 HydrophobicContact CE2-CG 4.31Å; F446-L450 HydrophobicContact CB-CD1 4.17Å; F446-L450 HydrophobicContact CD1-CD1 3.69Å; F446-L450 HydrophobicContact CD2-CD1 3.79Å; F446-L450 HydrophobicContact CE1-CD1 3.93Å; F446-L450 HydrophobicContact CE2-CD1 4.02Å; F446-L450 HydrophobicContact CG-CD1 3.61Å; F446-L450 HydrophobicContact CG-CG 4.45Å; F446-L450 HydrophobicContact CZ-CD1 4.1Å; A448-L450 PolarHBondContact O-N 2.85Å
451	C	97.6	Very high	90.2	Very high	6 Å²	6	53.4 Å²	53.4	4%	0.041	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137	173.3	-65.9	0	0	0	0	109.9	L341 V367 A368 Y453	L341-C451 HydrophobicContact CB-CB 4.24Å; L341-C451 HydrophobicContact CD1-CB 4.19Å; L341-C451 HydrophobicContact CD2-CB 4.29Å; L341-C451 HydrophobicContact CG-CB 4.47Å; V367-C451 CarbonylContact C-O 3.48Å; V367-C451 WeakPolarHBondContact CA-O 3.43Å; A368-C451 PolarHBondContact N-O 3.17Å; A368-C451 PolarHBondContact O-N 3.14Å; C451-Y453 PolarHBondContact O-N 2.99Å
452	P	98	Very high	89.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	136.8	165.3	-27.1	37.1	0	0	0	110.7	L297 L341 G342 E344 F346 W353 F454	L297-P452 HydrophobicContact CD1-CB 4.09Å; L297-P452 HydrophobicContact CD1-CG 3.77Å; L297-P452 HydrophobicContact CD2-CG 4.49Å; L341-P452 CarbonylContact C-O 3.51Å; L341-P452 VanDerWaalsContact CA-O 3.28Å; L341-P452 WeakPolarHBondContact CA-O 3.14Å; G342-P452 PolarHBondContact N-O 3.19Å; E344-P452 WeakPolarHBondContact O-CD 3.44Å; F346-P452 HydrophobicContact CE2-CG 3.72Å; F346-P452 HydrophobicContact CZ-CG 4.43Å; W353-P452 HydrophobicContact CH2-CG 4.37Å; W353-P452 HydrophobicContact CZ2-CB 4.08Å; W353-P452 HydrophobicContact CZ2-CG 4.09Å; P452-F454 HydrophobicContact CB-CE2 3.51Å; P452-F454 HydrophobicContact CB-CZ 3.57Å
453	Y	98.3	Very high	88.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.1	-177	175.8	-90.1	0	0	0	109.8	F334 E337 S339 L341 M364 I365 G366 A368 F386 C388 C451	F334-Y453 HydrophobicContact CZ-CD2 4.45Å; F334-Y453 HydrophobicContact CZ-CE2 4.05Å; E337-Y453 WeakPolarHBondContact CG-OH 3.14Å; S339-Y453 WeakPolarHBondContact CB-OH 3.27Å; S339-Y453 VanDerWaalsContact OG-CZ 3.23Å; S339-Y453 PolarHBondContact OG-OH 2.97Å; L341-Y453 HydrophobicContact CD2-CD2 3.81Å; M364-Y453 HydrophobicContact CB-CE1 4.45Å; M364-Y453 HydrophobicContact CG-CE1 4.01Å; M364-Y453 HydrophobicContact SD-CE1 3.8Å; I365-Y453 WeakPolarHBondContact CA-O 3.41Å; G366-Y453 PolarHBondContact N-O 3.5Å; G366-Y453 PolarHBondContact O-N 3.32Å; A368-Y453 HydrophobicContact CB-CD2 4.19Å; F386-Y453 HydrophobicContact CD1-CD2 4.25Å; F386-Y453 HydrophobicContact CD1-CE2 4.21Å; F386-Y453 HydrophobicContact CE1-CD2 4.02Å; F386-Y453 AromaticContact CE1-CE2 3.8Å; F386-Y453 HydrophobicContact CE1-CE2 3.8Å; C388-Y453 VanDerWaalsContact SG-CD1 3.55Å; C451-Y453 PolarHBondContact O-N 2.99Å
454	F	98.2	Very high	87.7	Confident	2 Å²	2	54 Å²	54	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129.9	-178.4	-47.4	-90.3	0	0	0	110.8	L297 L299 V317 S339 V340 V355 I365 P452 L469 I471	L297-F454 HydrophobicContact CD1-CZ 4.35Å; L299-F454 HydrophobicContact CD2-CD2 3.32Å; L299-F454 HydrophobicContact CD2-CE2 3.54Å; L299-F454 HydrophobicContact CD2-CG 3.96Å; L299-F454 HydrophobicContact CD2-CZ 4.34Å; V317-F454 HydrophobicContact CG1-CB 4.49Å; S339-F454 CarbonylContact C-O 3.59Å; S339-F454 VanDerWaalsContact CA-O 3.28Å; S339-F454 WeakPolarHBondContact CA-O 3.42Å; V340-F454 HydrophobicContact CG1-CB 4.02Å; V340-F454 PolarHBondContact N-O 2.71Å; V340-F454 PolarHBondContact O-N 3.03Å; V355-F454 HydrophobicContact CG2-CD1 4.23Å; V355-F454 HydrophobicContact CG2-CE1 3.7Å; I365-F454 HydrophobicContact CG2-CD1 4.33Å; P452-F454 HydrophobicContact CB-CE2 3.51Å; P452-F454 HydrophobicContact CB-CZ 3.57Å; F454-L469 HydrophobicContact CB-CD1 4.25Å; F454-I471 HydrophobicContact CE1-CD1 4.45Å; F454-I471 HydrophobicContact CE1-CG1 4.19Å; F454-I471 HydrophobicContact CE2-CD1 4.44Å; F454-I471 HydrophobicContact CZ-CD1 4.02Å; F454-I471 HydrophobicContact CZ-CG1 4.24Å
455	S	96.9	Very high	87.8	Confident	7 Å²	7	44.7 Å²	44.7	5%	0.049	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	114	168.3	-174.5	0	0	0	0	109.4	V338 S339 W363 M364 G457 L469	V338-S455 PolarHBondContact O-OG 3.1Å; S339-S455 VanDerWaalsContact OG-CB 3.25Å; S339-S455 WeakPolarHBondContact OG-CB 3.3Å; S339-S455 PolarHBondContact OG-OG 3.45Å; W363-S455 CarbonylContact C-O 3.52Å; W363-S455 VanDerWaalsContact CA-O 3.3Å; W363-S455 WeakPolarHBondContact CA-O 3.15Å; M364-S455 PolarHBondContact N-O 2.54Å; M364-S455 PolarHBondContact O-N 2.88Å; S455-G457 PolarHBondContact O-N 3.16Å; S455-G457 PolarHBondContact OG-N 3.01Å; S455-L469 WeakPolarHBondContact O-CD1 3.48Å
456	P	95	Very high	88	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.252	C	S	.	.			trans	-73.1	-0.6	175.6	31.8	-36.2	0	0	0	113	L308 V317 K360 N465 L469	L308-P456 HydrophobicContact CD2-CG 3.5Å; L308-P456 VanDerWaalsContact CD2-CG 3.5Å; V317-P456 HydrophobicContact CG2-CG 4.31Å; K360-P456 WeakPolarHBondContact CE-O 3.46Å; K360-P456 PolarHBondContact NZ-O 2.72Å; P456-N465 PolarHBondContact O-ND2 3.38Å; P456-L469 HydrophobicContact CB-CD1 4.15Å; P456-L469 HydrophobicContact CB-CG 4.1Å
457	G	91.5	Very high	88.1	Confident	5 Å²	5	46 Å²	46	5%	0.052	27%	0.269	C	S	.	.			trans	66.4	173.7	-168.9	0	0	0	0	0	112.4	S455	S455-G457 PolarHBondContact O-N 3.16Å; S455-G457 PolarHBondContact OG-N 3.01Å
458	Q	88.9	Confident	88.9	Confident	106 Å²	106	43.3 Å²	43.3	50%	0.495	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-83.8	150.8	177.7	-62.4	-179.9	26.7	0	0	110.3	Y319 V338 N465	Y319-Q458 HydrophobicContact CE2-CB 4.43Å; Y319-Q458 HydrophobicContact CE2-CG 4.11Å; V338-Q458 HydrophobicContact CG2-CG 4.09Å; Q458-N465 PolarHBondContact O-ND2 2.78Å
459	S	81.9	Confident	89.3	Confident	15 Å²	15	42.1 Å²	42.1	11%	0.105	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-83	137.7	166.1	-58.6	0	0	0	0	110	N321 K464 N465	N321-S459 VanDerWaalsContact OD1-CB 3.26Å; N321-S459 WeakPolarHBondContact OD1-CB 3.5Å; S459-K464 WeakPolarHBondContact CA-O 3.5Å; S459-N465 PolarHBondContact OG-O 3.1Å
460	H	75.1	Confident	89.3	Confident	87 Å²	87	44.1 Å²	44.1	40%	0.403	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-86.3	151.2	177.5	-60.9	-82.3	0	0	0	110.5	N462 G463 K464	H460-N462 WeakPolarHBondContact CB-OD1 3.39Å; H460-N462 PolarHBondContact O-N 3.27Å; H460-G463 PolarHBondContact O-N 3.49Å; H460-K464 HydrophobicContact CB-CB 4.16Å; H460-K464 PolarHBondContact N-O 3.31Å
461	A	67.8	Low	89.2	Confident	120 Å²	120	44.3 Å²	44.3	99%	0.992	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.9	178.8	0	0	0	0	0	114	G463	A461-G463 VanDerWaalsContact C-N 3.27Å; A461-G463 PolarHBondContact O-N 3.04Å
462	N	75	Confident	88.8	Confident	111 Å²	111	45.7 Å²	45.7	59%	0.594	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	11.4	174.9	64.9	5.6	0	0	0	114	H460 K464	H460-N462 WeakPolarHBondContact CB-OD1 3.39Å; H460-N462 PolarHBondContact O-N 3.27Å; N462-K464 VanDerWaalsContact C-N 3.35Å; N462-K464 PolarHBondContact O-N 3.44Å; N462-K464 WeakPolarHBondContact OD1-CB 3.31Å; N462-K464 WeakPolarHBondContact OD1-CG 3.48Å; N462-K464 PolarHBondContact OD1-N 3.03Å
463	G	74.4	Confident	87.7	Confident	46 Å²	46	47.3 Å²	47.3	47%	0.474	27%	0.265	S	S	.	.	S	Bend	trans	80.8	6.5	178.5	0	0	0	0	0	115.2	H460 A461 V466	H460-G463 PolarHBondContact O-N 3.49Å; A461-G463 VanDerWaalsContact C-N 3.27Å; A461-G463 PolarHBondContact O-N 3.04Å; G463-V466 WeakPolarHBondContact O-CG1 3.3Å
464	K	83.3	Confident	86.1	Confident	120 Å²	120	49.9 Å²	49.9	52%	0.522	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	148.6	174.7	-68.3	-177.3	-179.2	-174.6	0	111.6	S459 H460 N462 V466	S459-K464 WeakPolarHBondContact CA-O 3.5Å; H460-K464 HydrophobicContact CB-CB 4.16Å; H460-K464 PolarHBondContact N-O 3.31Å; N462-K464 VanDerWaalsContact C-N 3.35Å; N462-K464 PolarHBondContact O-N 3.44Å; N462-K464 WeakPolarHBondContact OD1-CB 3.31Å; N462-K464 WeakPolarHBondContact OD1-CG 3.48Å; N462-K464 PolarHBondContact OD1-N 3.03Å; K464-V466 VanDerWaalsContact C-N 3.32Å; K464-V466 PolarHBondContact O-N 3Å
465	N	89.6	Confident	83.8	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.032	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	25.4	176	-156.6	43.4	0	0	0	116.3	K360 T361 Q362 P456 Q458 S459 Q467	K360-N465 WeakPolarHBondContact CB-OD1 3.41Å; K360-N465 PolarHBondContact NZ-O 2.65Å; K360-N465 PolarHBondContact NZ-OD1 2.92Å; T361-N465 PolarHBondContact N-OD1 2.9Å; T361-N465 WeakPolarHBondContact OG1-CB 3.45Å; Q362-N465 PolarHBondContact N-OD1 3.01Å; Q362-N465 VanDerWaalsContact N-OD1 3.14Å; Q362-N465 PolarHBondContact O-ND2 3.14Å; Q362-N465 PolarHBondContact O-OD1 2.73Å; P456-N465 PolarHBondContact O-ND2 3.38Å; Q458-N465 PolarHBondContact O-ND2 2.78Å; S459-N465 PolarHBondContact OG-O 3.1Å; N465-Q467 VanDerWaalsContact C-N 3.35Å
466	V	88.8	Confident	81.5	Confident	54 Å²	54	64.6 Å²	64.6	33%	0.327	34%	0.344	S	S	.	.			trans	-74.2	-23.5	179.6	-66.2	0	0	0	0	114.1	G463 K464	G463-V466 WeakPolarHBondContact O-CG1 3.3Å; K464-V466 VanDerWaalsContact C-N 3.32Å; K464-V466 PolarHBondContact O-N 3Å
467	Q	91.5	Very high	80.8	Confident	81 Å²	81	67.8 Å²	67.8	38%	0.379	36%	0.361	S	S	.	.	S	Bend	trans	-70.3	146.8	-174.6	-62.5	-66.5	7	0	0	112	E359 K360 N465	E359-Q467 HydrophobicContact CB-CB 3.64Å; E359-Q467 HydrophobicContact CB-CG 3.61Å; E359-Q467 VanDerWaalsContact OE2-CG 3.27Å; E359-Q467 WeakPolarHBondContact OE2-CG 3.12Å; E359-Q467 PolarHBondContact OE2-OE1 3.14Å; K360-Q467 PolarHBondContact NZ-O 2.76Å; N465-Q467 VanDerWaalsContact C-N 3.35Å
468	P	93.8	Very high	80.2	Confident	41 Å²	41	71.1 Å²	71.1	27%	0.266	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-74.1	161.8	-175.2	30.1	-35	0	0	0	112.7	I316 V317 A318	I316-P468 HydrophobicContact CG2-CB 3.34Å; I316-P468 HydrophobicContact CG2-CG 3.73Å; V317-P468 CarbonylContact O-C 3.55Å; V317-P468 VanDerWaalsContact O-CA 3.24Å; V317-P468 WeakPolarHBondContact O-CA 3.21Å; V317-P468 WeakPolarHBondContact O-CB 3.34Å; A318-P468 HydrophobicContact CB-CB 4.02Å
469	L	96.4	Very high	79.7	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.01	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	140.7	151.9	-68	174.6	0	0	0	108.8	I316 V317 V355 V357 K360 W363 I365 F454 S455 P456	I316-L469 WeakPolarHBondContact CA-O 3.44Å; V317-L469 HydrophobicContact CG1-CB 3.86Å; V317-L469 HydrophobicContact CG1-CD1 4.4Å; V317-L469 PolarHBondContact N-O 2.88Å; V317-L469 PolarHBondContact O-N 2.94Å; V355-L469 HydrophobicContact CG1-CB 4.27Å; V355-L469 HydrophobicContact CG1-CD2 4.15Å; V357-L469 HydrophobicContact CB-CD2 4.41Å; V357-L469 HydrophobicContact CG1-CD2 3.69Å; K360-L469 HydrophobicContact CD-CD2 3.5Å; K360-L469 VanDerWaalsContact CD-CD2 3.5Å; K360-L469 HydrophobicContact CD-CG 3.88Å; W363-L469 HydrophobicContact CB-CD2 4Å; W363-L469 HydrophobicContact CG-CD2 4.37Å; I365-L469 HydrophobicContact CG2-CD1 4.18Å; F454-L469 HydrophobicContact CB-CD1 4.25Å; S455-L469 WeakPolarHBondContact O-CD1 3.48Å; P456-L469 HydrophobicContact CB-CD1 4.15Å; P456-L469 HydrophobicContact CB-CG 4.1Å
470	R	95.6	Very high	79.6	Confident	117 Å²	117	72.4 Å²	72.4	44%	0.442	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.6	177.7	179	162.1	-176.3	-178.8	9.5	110.7	I316 V355 M356 N472	I316-R470 HydrophobicContact CD1-CG 4.43Å; I316-R470 HydrophobicContact CG1-CB 4.35Å; I316-R470 HydrophobicContact CG1-CG 3.94Å; V355-R470 WeakPolarHBondContact CA-O 3.38Å; M356-R470 HydrophobicContact CB-CB 4.36Å; M356-R470 HydrophobicContact CE-CB 3.85Å; M356-R470 HydrophobicContact CE-CG 3.46Å; M356-R470 VanDerWaalsContact CE-CG 3.46Å; M356-R470 PolarHBondContact N-O 3.37Å; M356-R470 PolarHBondContact O-N 2.83Å; R470-N472 PolarHBondContact O-N 3.08Å
471	I	95.3	Very high	79.9	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.021	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	125.5	170.8	-61.7	171.5	0	0	0	107.1	L297 L299 T315 F454 T473	L297-I471 HydrophobicContact CB-CD1 3.99Å; L297-I471 HydrophobicContact CB-CG2 4Å; L299-I471 HydrophobicContact CD2-CD1 3.92Å; L299-I471 HydrophobicContact CG-CD1 3.98Å; T315-I471 WeakPolarHBondContact O-CB 3.41Å; T315-I471 PolarHBondContact O-N 3.28Å; F454-I471 HydrophobicContact CE1-CD1 4.45Å; F454-I471 HydrophobicContact CE1-CG1 4.19Å; F454-I471 HydrophobicContact CE2-CD1 4.44Å; F454-I471 HydrophobicContact CZ-CD1 4.02Å; F454-I471 HydrophobicContact CZ-CG1 4.24Å; I471-T473 VanDerWaalsContact C-N 3.33Å; I471-T473 HydrophobicContact CG2-CG2 4.28Å; I471-T473 PolarHBondContact O-N 3.41Å
472	N	88.7	Confident	80.7	Confident	35 Å²	35	68.2 Å²	68.2	19%	0.187	35%	0.345	C	S	.	.			trans	-78	88.3	176.3	-175.7	28.1	0	0	0	108.9	E354 M356 K415 R470 V474	E354-N472 HydrophobicContact CB-CB 3.87Å; E354-N472 PolarHBondContact O-N 3.48Å; E354-N472 PolarHBondContact OE2-ND2 2.69Å; M356-N472 HydrophobicContact CG-CB 4.48Å; K415-N472 HydrophobicContact CD-CB 4.38Å; K415-N472 PolarHBondContact NZ-ND2 2.96Å; R470-N472 PolarHBondContact O-N 3.08Å; N472-V474 PolarHBondContact O-N 3.22Å
473	T	76.2	Confident	81.1	Confident	34 Å²	34	65.1 Å²	65.1	21%	0.209	33%	0.327	C	S	.	.			trans	-76.2	106	169.1	59.8	0	0	0	0	107.9	T315 I471 R475	T315-T473 HydrophobicContact CG2-CG2 3.77Å; I471-T473 VanDerWaalsContact C-N 3.33Å; I471-T473 HydrophobicContact CG2-CG2 4.28Å; I471-T473 PolarHBondContact O-N 3.41Å; T473-R475 PolarHBondContact O-N 3.25Å
474	V	64.1	Low	81.6	Confident	54 Å²	54	66.6 Å²	66.6	33%	0.327	32%	0.316	S	S	.	.			trans	-67.1	90.7	164.5	-176.1	0	0	0	0	106.4	F287 P294 N472 L476	F287-V474 HydrophobicContact CE1-CG1 4.06Å; F287-V474 HydrophobicContact CZ-CG1 4.3Å; P294-V474 HydrophobicContact CB-CG2 4.2Å; P294-V474 HydrophobicContact CG-CG2 4.15Å; N472-V474 PolarHBondContact O-N 3.22Å; V474-L476 PolarHBondContact O-N 3.04Å
475	R	51	Low	81.5	Confident	189 Å²	189	62.2 Å²	62.2	71%	0.713	30%	0.299	S	S	*	.			trans	-73.8	106	171.3	-67.6	-171.8	-176.7	-173.3	1.3	106.6	D313 T473	D313-R475 IonicContact OD2-NH2 3.1Å; D313-R475 PolarHBondContact OD2-NH2 2.68Å; D313-R475 VanDerWaalsContact OD2-NH2 3.07Å; T473-R475 PolarHBondContact O-N 3.25Å
476	L	47	Very low	80.8	Confident	129 Å²	129	67.3 Å²	67.3	68%	0.675	32%	0.323	S	S	*	.			trans	-67	0	177.9	-78.1	166.6	0	0	0	112.3	K284 F287 V474	K284-L476 PolarHBondContact NZ-OXT 2.89Å; F287-L476 HydrophobicContact CB-CD1 4.36Å; F287-L476 HydrophobicContact CB-CD2 3.69Å; F287-L476 HydrophobicContact CD1-CD2 4.36Å; F287-L476 HydrophobicContact CD2-CD2 3.89Å; F287-L476 HydrophobicContact CG-CD2 3.73Å; V474-L476 PolarHBondContact O-N 3.04Å

Retrieved 476 of 476 residues in 126.7 ms (Link to these results)

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