A0A061IP71_CRIGR Loading...

Interferon regulatory factor 5

AlphaFold DB , UniProt , Accession A0A061IP71, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 497 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	37.3	Very low	43.2	Very low	239 Å²	239	133.2 Å²	133.2	100%	1.177	82%	0.818	S	S	*	*				0	105.5	0	-77.1	173.2	169.3	0	0	107.5
2	N	35.1	Very low	43.8	Very low	166 Å²	166	131.8 Å²	131.8	89%	0.888	81%	0.813	S	S	*	*			trans	-93.5	111.2	169.3	-72.4	-0.3	0	0	0	107.2
3	Q	36.3	Very low	44.6	Very low	185 Å²	185	139.8 Å²	139.8	86%	0.864	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-80.5	134.9	162.9	-68.1	-163.3	21.7	0	0	108.3
4	P	43.1	Very low	45.9	Very low	121 Å²	121	144.8 Å²	144.8	79%	0.786	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-70.7	145.6	170.9	30.8	-33.2	0	0	0	110
5	A	44.7	Very low	48.1	Very low	89 Å²	89	138.6 Å²	138.6	74%	0.736	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-63.2	156.7	173.8	0	0	0	0	0	111.4	G7	A5-G7 PolarHBondContact O-N 3.16Å
6	P	50	Low	50.4	Low	127 Å²	127	142.8 Å²	142.8	83%	0.825	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-61.7	129.3	-178.7	-15.6	28.3	0	0	0	110.6	V8	P6-V8 PolarHBondContact O-N 3.07Å
7	G	41.8	Very low	52.8	Low	74 Å²	74	135.4 Å²	135.4	76%	0.763	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-61.7	128.7	178.5	0	0	0	0	0	111.5	A5	A5-G7 PolarHBondContact O-N 3.16Å
8	V	47.5	Very low	54.9	Low	133 Å²	133	130.6 Å²	130.6	81%	0.806	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-54.5	130.8	168.8	178.5	0	0	0	0	108.2	P6	P6-V8 PolarHBondContact O-N 3.07Å
9	P	49.8	Very low	56.7	Low	105 Å²	105	127.9 Å²	127.9	68%	0.682	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-59	140.1	178.1	24.7	-33.8	0	0	0	109.7
10	P	43.2	Very low	58.5	Low	114 Å²	114	122.4 Å²	122.4	74%	0.74	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-58.1	139.3	-178.6	24.7	-34	0	0	0	109.9
11	P	46.3	Very low	60.2	Low	112 Å²	112	116.5 Å²	116.5	73%	0.727	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-57	139.5	-177.1	23.2	-33.5	0	0	0	110.2	R13	P11-R13 PolarHBondContact O-N 3.07Å; P11-R13 VanDerWaalsContact O-N 3.14Å
12	P	50.1	Low	62.8	Low	117 Å²	117	106.9 Å²	106.9	76%	0.76	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-58.2	123.3	-176.8	23.1	-32.9	0	0	0	109.5	R14	P12-R14 PolarHBondContact O-N 3.44Å; P12-R14 VanDerWaalsContact O-N 3.13Å
13	R	54.7	Low	65.4	Low	235 Å²	235	101.3 Å²	101.3	89%	0.887	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-56.6	120.2	179	-66.8	179.4	175.7	-177.8	-2.3	108.2	P11 V15	P11-R13 PolarHBondContact O-N 3.07Å; P11-R13 VanDerWaalsContact O-N 3.14Å; R13-V15 VanDerWaalsContact O-CG2 3.3Å; R13-V15 WeakPolarHBondContact O-CG2 3.37Å; R13-V15 PolarHBondContact O-N 3.45Å
14	R	62.7	Low	68.1	Low	210 Å²	210	93.2 Å²	93.2	79%	0.792	53%	0.532	S	S	*	.			trans	-57.7	99.7	177.5	-72.6	-171.3	178.5	-154.1	2.3	109.5	P12 R16 E140	P12-R14 PolarHBondContact O-N 3.44Å; P12-R14 VanDerWaalsContact O-N 3.13Å; R14-R16 PolarHBondContact O-N 3.25Å; R14-E140 IonicContact CZ-OE1 3.99Å; R14-E140 IonicContact NH1-OE1 2.73Å; R14-E140 PolarHBondContact NH1-OE1 3.32Å; R14-E140 IonicContact NH2-OE1 2.64Å; R14-E140 PolarHBondContact NH2-OE1 3.12Å
15	V	78.5	Confident	70.5	Confident	52 Å²	52	87.5 Å²	87.5	32%	0.315	50%	0.495	S	S	.	.			trans	-74.8	121.7	-175.6	-177.1	0	0	0	0	110.3	R13 W20 W67 E70	R13-V15 VanDerWaalsContact O-CG2 3.3Å; R13-V15 WeakPolarHBondContact O-CG2 3.37Å; R13-V15 PolarHBondContact O-N 3.45Å; V15-W20 HydrophobicContact CG1-CB 3.89Å; V15-W20 HydrophobicContact CG1-CG 4.12Å; V15-W67 HydrophobicContact CG1-CZ3 4.32Å; V15-E70 HydrophobicContact CB-CG 4.13Å; V15-E70 HydrophobicContact CG1-CG 3.82Å; V15-E70 HydrophobicContact CG2-CG 3.99Å
16	R	85.9	Confident	72.6	Confident	205 Å²	205	87.9 Å²	87.9	77%	0.774	49%	0.485	S	S	*	.			trans	-75.6	125.9	177.7	-65.6	-176.5	177.8	-172.5	-1.7	110.2	R14 K18 P19 W20	R14-R16 PolarHBondContact O-N 3.25Å; R16-K18 PolarHBondContact O-N 3.36Å; R16-P19 HydrophobicContact CB-CG 3.85Å; R16-P19 VanDerWaalsContact O-CD 3.31Å; R16-P19 WeakPolarHBondContact O-CD 3.47Å; R16-P19 WeakPolarHBondContact O-CG 3.3Å; R16-W20 PolarHBondContact O-N 2.96Å
17	L	90	Very high	74.5	Confident	18 Å²	18	83.9 Å²	83.9	9%	0.094	46%	0.46	C	S	.	.	H	α-helix	trans	-56.2	-46.2	-176.3	-179.1	72.7	0	0	0	113.1	W20 L21 W67 L90 A93 L94 F100	L17-W20 PolarHBondContact O-N 3.28Å; L17-L21 HydrophobicContact CD1-CB 4.49Å; L17-L21 WeakPolarHBondContact O-CB 3.38Å; L17-L21 PolarHBondContact O-N 3.33Å; L17-W67 HydrophobicContact CB-CH2 3.9Å; L17-W67 HydrophobicContact CB-CZ2 4.18Å; L17-W67 HydrophobicContact CD1-CD2 4.03Å; L17-W67 HydrophobicContact CD1-CE3 4.11Å; L17-W67 HydrophobicContact CD1-CH2 3.66Å; L17-W67 HydrophobicContact CD1-CZ2 3.55Å; L17-W67 HydrophobicContact CD1-CZ3 3.94Å; L17-W67 HydrophobicContact CG-CH2 4.41Å; L17-W67 HydrophobicContact CG-CZ2 4.44Å; L17-L90 HydrophobicContact CD1-CD1 3.74Å; L17-A93 HydrophobicContact CD1-CB 4.29Å; L17-A93 VanDerWaalsContact CD2-C 3.46Å; L17-A93 HydrophobicContact CD2-CB 3.86Å; L17-A93 VanDerWaalsContact CD2-O 3.28Å; L17-A93 WeakPolarHBondContact CD2-O 3.5Å; L17-L94 HydrophobicContact CD2-CD2 4.42Å; L17-F100 HydrophobicContact CD2-CD2 3.98Å; L17-F100 HydrophobicContact CD2-CE2 3.8Å; L17-F100 HydrophobicContact CG-CE2 3.85Å
18	K	90.4	Very high	76.6	Confident	48 Å²	48	84.9 Å²	84.9	21%	0.209	45%	0.454	C	S	.	.	H	α-helix	trans	-55.6	-62.7	-175.1	-173.8	-164.8	-146.2	154.9	0	113.9	R16 W20 L21 V22 D99 F100 V120 C121	R16-K18 PolarHBondContact O-N 3.36Å; K18-W20 VanDerWaalsContact C-N 3.27Å; K18-W20 PolarHBondContact O-N 3.28Å; K18-L21 PolarHBondContact O-N 3.01Å; K18-V22 WeakPolarHBondContact O-CB 3.48Å; K18-V22 VanDerWaalsContact O-CG2 3.3Å; K18-V22 WeakPolarHBondContact O-CG2 3.46Å; K18-V22 PolarHBondContact O-N 3.15Å; K18-V22 VanDerWaalsContact O-N 3.14Å; K18-D99 HydrophobicContact CB-CB 3.84Å; K18-D99 WeakPolarHBondContact CB-OD2 3.27Å; K18-D99 HydrophobicContact CD-CB 3.68Å; K18-D99 VanDerWaalsContact CD-CG 3.4Å; K18-D99 WeakPolarHBondContact CD-OD1 3.14Å; K18-D99 WeakPolarHBondContact CE-OD1 3.24Å; K18-D99 HydrophobicContact CG-CB 3.75Å; K18-D99 IonicContact NZ-OD1 3.86Å; K18-D99 PolarHBondContact NZ-OD1 3.19Å; K18-F100 HydrophobicContact CB-CE2 4.12Å; K18-F100 HydrophobicContact CB-CZ 4.3Å; K18-F100 HydrophobicContact CG-CE2 4.48Å; K18-F100 HydrophobicContact CG-CZ 4.31Å; K18-V120 HydrophobicContact CD-CG1 4.49Å; K18-V120 VanDerWaalsContact CE-CG1 3.5Å; K18-V120 HydrophobicContact CG-CG1 4.26Å; K18-C121 WeakPolarHBondContact CE-O 3.31Å; K18-C121 PolarHBondContact NZ-O 3.43Å
19	P	89.6	Confident	78.3	Confident	81 Å²	81	85.6 Å²	85.6	53%	0.526	44%	0.442	S	S	.	.	H	α-helix	trans	-62.6	-36.1	-178.8	25.2	-35.1	0	0	0	112	R16 A23	R16-P19 HydrophobicContact CB-CG 3.85Å; R16-P19 VanDerWaalsContact O-CD 3.31Å; R16-P19 WeakPolarHBondContact O-CD 3.47Å; R16-P19 WeakPolarHBondContact O-CG 3.3Å; P19-A23 WeakPolarHBondContact O-CB 3.18Å; P19-A23 PolarHBondContact O-N 3.35Å
20	W	93.7	Very high	80.1	Confident	16 Å²	16	81.2 Å²	81.2	6%	0.061	41%	0.412	C	S	.	.	H	α-helix	trans	-64.8	-52	179.2	-179.6	87.4	0	0	0	112.4	V15 R16 L17 K18 V22 A23 Q24 I63 A66 W67 E70	V15-W20 HydrophobicContact CG1-CB 3.89Å; V15-W20 HydrophobicContact CG1-CG 4.12Å; R16-W20 PolarHBondContact O-N 2.96Å; L17-W20 PolarHBondContact O-N 3.28Å; K18-W20 VanDerWaalsContact C-N 3.27Å; K18-W20 PolarHBondContact O-N 3.28Å; W20-V22 PolarHBondContact O-N 2.88Å; W20-A23 WeakPolarHBondContact O-CB 3.46Å; W20-A23 PolarHBondContact O-N 3.34Å; W20-Q24 HydrophobicContact CD2-CG 3.82Å; W20-Q24 HydrophobicContact CE3-CG 4Å; W20-Q24 HydrophobicContact CH2-CG 3.8Å; W20-Q24 HydrophobicContact CZ2-CG 3.61Å; W20-Q24 HydrophobicContact CZ3-CG 3.98Å; W20-Q24 VanDerWaalsContact NE1-NE2 3.14Å; W20-Q24 WeakPolarHBondContact O-CG 3.42Å; W20-Q24 PolarHBondContact O-N 3.49Å; W20-I63 HydrophobicContact CH2-CD1 3.45Å; W20-I63 VanDerWaalsContact CH2-CD1 3.45Å; W20-I63 HydrophobicContact CH2-CG1 4.27Å; W20-I63 HydrophobicContact CZ2-CD1 4.39Å; W20-I63 HydrophobicContact CZ3-CD1 3.69Å; W20-I63 HydrophobicContact CZ3-CG1 4.31Å; W20-A66 HydrophobicContact CH2-CB 4.13Å; W20-A66 HydrophobicContact CZ2-CB 4.04Å; W20-W67 HydrophobicContact CB-CZ3 4.36Å; W20-W67 AromaticContact CD2-CE3 3.69Å; W20-W67 HydrophobicContact CD2-CE3 3.69Å; W20-W67 AromaticContact CD2-CZ3 3.87Å; W20-W67 HydrophobicContact CD2-CZ3 3.87Å; W20-W67 HydrophobicContact CE3-CD2 4.29Å; W20-W67 AromaticContact CE3-CE3 3.33Å; W20-W67 HydrophobicContact CE3-CE3 3.33Å; W20-W67 AromaticContact CE3-CZ3 3.73Å; W20-W67 HydrophobicContact CE3-CZ3 3.73Å; W20-W67 HydrophobicContact CG-CE3 4.42Å; W20-W67 HydrophobicContact CG-CZ3 4.15Å; W20-W67 VanDerWaalsContact CH2-CA 3.49Å; W20-W67 HydrophobicContact CH2-CB 3.63Å; W20-W67 HydrophobicContact CH2-CD2 4.45Å; W20-W67 AromaticContact CH2-CE3 3.9Å; W20-W67 HydrophobicContact CH2-CE3 3.9Å; W20-W67 HydrophobicContact CH2-CG 4.42Å; W20-W67 HydrophobicContact CZ2-CB 4.47Å; W20-W67 HydrophobicContact CZ2-CE3 4.19Å; W20-W67 HydrophobicContact CZ3-CB 3.89Å; W20-W67 HydrophobicContact CZ3-CD2 4.05Å; W20-W67 AromaticContact CZ3-CE3 3.46Å; W20-W67 HydrophobicContact CZ3-CE3 3.46Å; W20-W67 VanDerWaalsContact CZ3-CE3 3.46Å; W20-W67 HydrophobicContact CZ3-CG 4.27Å; W20-W67 HydrophobicContact CZ3-CZ3 4.32Å; W20-E70 VanDerWaalsContact CD1-CG 3.5Å; W20-E70 HydrophobicContact CD2-CG 4.37Å; W20-E70 HydrophobicContact CG-CG 4.2Å; W20-E70 HydrophobicContact CZ2-CB 4.07Å; W20-E70 HydrophobicContact CZ2-CG 4.4Å; W20-E70 PolarHBondContact NE1-OE2 2.84Å
21	L	93.6	Very high	81.9	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-67.9	-38.4	-175.7	-176.2	59.9	0	0	0	111.3	L17 K18 A23 Q24 V25 F43 I63 L94 F100	L17-L21 HydrophobicContact CD1-CB 4.49Å; L17-L21 WeakPolarHBondContact O-CB 3.38Å; L17-L21 PolarHBondContact O-N 3.33Å; K18-L21 PolarHBondContact O-N 3.01Å; L21-A23 VanDerWaalsContact C-N 3.33Å; L21-A23 PolarHBondContact O-N 2.95Å; L21-Q24 PolarHBondContact O-N 3.41Å; L21-Q24 VanDerWaalsContact O-N 3.12Å; L21-V25 WeakPolarHBondContact O-CG2 3.36Å; L21-V25 PolarHBondContact O-N 3.46Å; L21-F43 HydrophobicContact CD2-CE2 3.88Å; L21-F43 HydrophobicContact CD2-CZ 3.76Å; L21-F43 HydrophobicContact CG-CE2 4.13Å; L21-F43 HydrophobicContact CG-CZ 4.25Å; L21-I63 HydrophobicContact CD1-CD1 3.89Å; L21-I63 HydrophobicContact CD1-CG1 3.8Å; L21-L94 HydrophobicContact CD2-CD2 3.63Å; L21-L94 HydrophobicContact CD2-CG 4.46Å; L21-F100 HydrophobicContact CB-CZ 4Å; L21-F100 HydrophobicContact CD2-CE1 4.02Å; L21-F100 HydrophobicContact CD2-CE2 4.35Å; L21-F100 HydrophobicContact CD2-CZ 3.83Å; L21-F100 HydrophobicContact CG-CZ 4.31Å
22	V	91.1	Very high	83.6	Confident	36 Å²	36	75.7 Å²	75.7	22%	0.218	38%	0.383	C	S	.	.	H	α-helix	trans	-59.8	-43	172.4	169.9	0	0	0	0	111.3	K18 W20 Q24 V25 N26 W35 V120	K18-V22 WeakPolarHBondContact O-CB 3.48Å; K18-V22 VanDerWaalsContact O-CG2 3.3Å; K18-V22 WeakPolarHBondContact O-CG2 3.46Å; K18-V22 PolarHBondContact O-N 3.15Å; K18-V22 VanDerWaalsContact O-N 3.14Å; W20-V22 PolarHBondContact O-N 2.88Å; V22-Q24 VanDerWaalsContact C-N 3.32Å; V22-Q24 PolarHBondContact O-N 3.36Å; V22-V25 PolarHBondContact O-N 2.92Å; V22-N26 WeakPolarHBondContact O-CB 3.4Å; V22-N26 VanDerWaalsContact O-CG 3.27Å; V22-N26 PolarHBondContact O-N 3.19Å; V22-N26 PolarHBondContact O-ND2 3.4Å; V22-W35 HydrophobicContact CG1-CH2 4.41Å; V22-W35 HydrophobicContact CG1-CZ2 4.17Å; V22-W35 HydrophobicContact CG2-CH2 4.46Å; V22-V120 HydrophobicContact CG2-CG1 4.16Å; V22-V120 HydrophobicContact CG2-CG2 3.98Å
23	A	90.9	Very high	85.6	Confident	49 Å²	49	70.3 Å²	70.3	41%	0.405	35%	0.347	S	S	.	.	H	α-helix	trans	-63.3	-37.2	173.9	0	0	0	0	0	112.3	P19 W20 L21 N26 S27	P19-A23 WeakPolarHBondContact O-CB 3.18Å; P19-A23 PolarHBondContact O-N 3.35Å; W20-A23 WeakPolarHBondContact O-CB 3.46Å; W20-A23 PolarHBondContact O-N 3.34Å; L21-A23 VanDerWaalsContact C-N 3.33Å; L21-A23 PolarHBondContact O-N 2.95Å; A23-N26 PolarHBondContact O-N 3.46Å; A23-S27 WeakPolarHBondContact O-CB 3.41Å; A23-S27 PolarHBondContact O-N 3.08Å
24	Q	93.3	Very high	87.3	Confident	16 Å²	16	64.2 Å²	64.2	8%	0.075	33%	0.329	C	S	.	.	H	α-helix	trans	-67.6	-40.8	176	-60.6	-31.7	-47.5	0	0	112.9	W20 L21 V22 S27 F30 L33 I63	W20-Q24 HydrophobicContact CD2-CG 3.82Å; W20-Q24 HydrophobicContact CE3-CG 4Å; W20-Q24 HydrophobicContact CH2-CG 3.8Å; W20-Q24 HydrophobicContact CZ2-CG 3.61Å; W20-Q24 HydrophobicContact CZ3-CG 3.98Å; W20-Q24 VanDerWaalsContact NE1-NE2 3.14Å; W20-Q24 WeakPolarHBondContact O-CG 3.42Å; W20-Q24 PolarHBondContact O-N 3.49Å; L21-Q24 PolarHBondContact O-N 3.41Å; L21-Q24 VanDerWaalsContact O-N 3.12Å; V22-Q24 VanDerWaalsContact C-N 3.32Å; V22-Q24 PolarHBondContact O-N 3.36Å; Q24-S27 PolarHBondContact O-N 2.85Å; Q24-S27 PolarHBondContact O-OG 3.1Å; Q24-F30 HydrophobicContact CB-CD2 4.16Å; Q24-F30 HydrophobicContact CB-CE2 3.78Å; Q24-F30 HydrophobicContact CG-CE2 3.94Å; Q24-L33 HydrophobicContact CB-CD2 4.06Å; Q24-I63 HydrophobicContact CB-CD1 3.57Å; Q24-I63 HydrophobicContact CG-CD1 3.72Å
25	V	92.6	Very high	88.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-45.9	173.7	-179.8	0	0	0	0	110.4	L21 V22 S27 C28 L33 W35 F43	L21-V25 WeakPolarHBondContact O-CG2 3.36Å; L21-V25 PolarHBondContact O-N 3.46Å; V22-V25 PolarHBondContact O-N 2.92Å; V25-S27 PolarHBondContact O-N 3Å; V25-C28 PolarHBondContact O-N 2.78Å; V25-L33 HydrophobicContact CG2-CD1 3.99Å; V25-L33 HydrophobicContact CG2-CD2 4.05Å; V25-L33 HydrophobicContact CG2-CG 3.9Å; V25-W35 HydrophobicContact CB-CZ2 4.24Å; V25-W35 HydrophobicContact CG1-CD2 3.73Å; V25-W35 HydrophobicContact CG1-CE3 4.4Å; V25-W35 HydrophobicContact CG1-CG 3.88Å; V25-W35 HydrophobicContact CG1-CZ2 4Å; V25-F43 HydrophobicContact CG1-CB 3.82Å; V25-F43 HydrophobicContact CG1-CG 4.44Å; V25-F43 HydrophobicContact CG2-CB 4.12Å; V25-F43 HydrophobicContact CG2-CD2 3.44Å; V25-F43 VanDerWaalsContact CG2-CD2 3.44Å; V25-F43 HydrophobicContact CG2-CE2 3.97Å; V25-F43 HydrophobicContact CG2-CG 3.86Å
26	N	89.4	Confident	89.2	Confident	98 Å²	98	58.9 Å²	58.9	52%	0.524	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-30.4	175.5	-72	-19.6	0	0	0	113.3	V22 A23 C28 W35	V22-N26 WeakPolarHBondContact O-CB 3.4Å; V22-N26 VanDerWaalsContact O-CG 3.27Å; V22-N26 PolarHBondContact O-N 3.19Å; V22-N26 PolarHBondContact O-ND2 3.4Å; A23-N26 PolarHBondContact O-N 3.46Å; N26-C28 VanDerWaalsContact C-N 3.27Å; N26-C28 PolarHBondContact O-N 2.96Å; N26-W35 PolarHBondContact OD1-NE1 3.04Å
27	S	89.4	Confident	89	Confident	42 Å²	42	51.8 Å²	51.8	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-72.1	-19.3	-178.4	79.7	0	0	0	0	113.9	A23 Q24 V25 R29	A23-S27 WeakPolarHBondContact O-CB 3.41Å; A23-S27 PolarHBondContact O-N 3.08Å; Q24-S27 PolarHBondContact O-N 2.85Å; Q24-S27 PolarHBondContact O-OG 3.1Å; V25-S27 PolarHBondContact O-N 3Å; S27-R29 WeakPolarHBondContact O-CG 3.41Å; S27-R29 PolarHBondContact O-N 3.29Å; S27-R29 WeakPolarHBondContact OG-CG 3.34Å; S27-R29 PolarHBondContact OG-N 3.06Å; S27-R29 PolarHBondContact OG-NE 3.21Å
28	C	85.3	Confident	88.4	Confident	95 Å²	95	53.2 Å²	53.2	64%	0.642	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	17.2	-174.2	-58	0	0	0	0	115	V25 N26 F30	V25-C28 PolarHBondContact O-N 2.78Å; N26-C28 VanDerWaalsContact C-N 3.27Å; N26-C28 PolarHBondContact O-N 2.96Å; C28-F30 PolarHBondContact O-N 3.2Å
29	R	83.9	Confident	87.6	Confident	148 Å²	148	59.6 Å²	59.6	56%	0.558	34%	0.339	S	S	*	.			trans	-77.1	-16.2	-173.8	-67.7	-174.9	-62.6	173.2	3.3	114.7	S27 N61	S27-R29 WeakPolarHBondContact O-CG 3.41Å; S27-R29 PolarHBondContact O-N 3.29Å; S27-R29 WeakPolarHBondContact OG-CG 3.34Å; S27-R29 PolarHBondContact OG-N 3.06Å; S27-R29 PolarHBondContact OG-NE 3.21Å; R29-N61 PolarHBondContact O-ND2 3.41Å
30	F	86.8	Confident	86.8	Confident	14 Å²	14	63 Å²	63	6%	0.061	34%	0.341	C	S	.	.	S	Bend	trans	-107.7	120	-175.2	-57.7	-75.2	0	0	0	109.4	Q24 C28 G32 L33 N61 I63 A66	Q24-F30 HydrophobicContact CB-CD2 4.16Å; Q24-F30 HydrophobicContact CB-CE2 3.78Å; Q24-F30 HydrophobicContact CG-CE2 3.94Å; C28-F30 PolarHBondContact O-N 3.2Å; F30-G32 PolarHBondContact O-N 2.92Å; F30-G32 VanDerWaalsContact O-N 3.08Å; F30-L33 HydrophobicContact CB-CB 3.87Å; F30-L33 HydrophobicContact CB-CD2 4.17Å; F30-L33 HydrophobicContact CD2-CD2 3.79Å; F30-L33 HydrophobicContact CG-CD2 4.35Å; F30-L33 WeakPolarHBondContact O-CB 3.4Å; F30-L33 PolarHBondContact O-N 3.37Å; F30-N61 WeakPolarHBondContact CD1-OD1 3.43Å; F30-N61 WeakPolarHBondContact CE1-OD1 3.31Å; F30-I63 HydrophobicContact CD2-CD1 3.86Å; F30-I63 HydrophobicContact CE2-CD1 3.83Å; F30-I63 HydrophobicContact CG-CB 4.27Å; F30-I63 HydrophobicContact CG-CD1 4.38Å; F30-I63 HydrophobicContact CZ-CD1 4.33Å; F30-A66 HydrophobicContact CE1-CB 3.54Å; F30-A66 HydrophobicContact CZ-CB 3.48Å; F30-A66 VanDerWaalsContact CZ-CB 3.48Å
31	P	82.6	Confident	86.6	Confident	76 Å²	76	66.5 Å²	66.5	49%	0.494	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	117.1	-175.3	-31.2	36.9	0	0	0	113.1	L33 P46 N61	P31-L33 PolarHBondContact O-N 3.24Å; P31-P46 WeakPolarHBondContact O-CG 3.31Å; P31-N61 WeakPolarHBondContact CD-O 3.29Å
32	G	82.3	Confident	86.5	Confident	34 Å²	34	67.3 Å²	67.3	35%	0.351	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-5.6	-179.1	0	0	0	0	0	116.3	F30 Q34 Y44	F30-G32 PolarHBondContact O-N 2.92Å; F30-G32 VanDerWaalsContact O-N 3.08Å; G32-Q34 PolarHBondContact O-N 2.96Å; G32-Y44 WeakPolarHBondContact O-CD1 3.42Å; G32-Y44 VanDerWaalsContact O-CE1 3.29Å; G32-Y44 WeakPolarHBondContact O-CE1 3.41Å
33	L	90.6	Very high	86.5	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.016	35%	0.351	C	S	.	.			trans	-77.9	106.2	170.8	-177.2	78.6	0	0	0	109.4	Q24 V25 F30 P31 F43 I45 I63	Q24-L33 HydrophobicContact CB-CD2 4.06Å; V25-L33 HydrophobicContact CG2-CD1 3.99Å; V25-L33 HydrophobicContact CG2-CD2 4.05Å; V25-L33 HydrophobicContact CG2-CG 3.9Å; F30-L33 HydrophobicContact CB-CB 3.87Å; F30-L33 HydrophobicContact CB-CD2 4.17Å; F30-L33 HydrophobicContact CD2-CD2 3.79Å; F30-L33 HydrophobicContact CG-CD2 4.35Å; F30-L33 WeakPolarHBondContact O-CB 3.4Å; F30-L33 PolarHBondContact O-N 3.37Å; P31-L33 PolarHBondContact O-N 3.24Å; L33-F43 HydrophobicContact CD1-CD2 4.34Å; L33-I45 HydrophobicContact CD1-CB 4.41Å; L33-I45 HydrophobicContact CD1-CG1 3.89Å; L33-I45 HydrophobicContact CD1-CG2 4.36Å; L33-I63 HydrophobicContact CD2-CB 4.3Å; L33-I63 HydrophobicContact CD2-CD1 3.78Å; L33-I63 HydrophobicContact CD2-CG1 3.99Å
34	Q	91.4	Very high	86.4	Confident	108 Å²	108	65.4 Å²	65.4	51%	0.505	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	159.3	-172.3	65.1	-173.5	11.1	0	0	113	G32 F43 Y44	G32-Q34 PolarHBondContact O-N 2.96Å; Q34-F43 CarbonylContact O-C 3.58Å; Q34-F43 WeakPolarHBondContact O-CA 3.27Å; Q34-F43 WeakPolarHBondContact O-CB 3.4Å; Q34-Y44 PolarHBondContact N-O 3.3Å; Q34-Y44 PolarHBondContact O-N 2.96Å
35	W	92.4	Very high	86.4	Confident	71 Å²	71	64.6 Å²	64.6	27%	0.269	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	132.3	168.1	-63.7	107.7	0	0	0	110.6	V22 V25 N26 K41 L42 F43 V120	V22-W35 HydrophobicContact CG1-CH2 4.41Å; V22-W35 HydrophobicContact CG1-CZ2 4.17Å; V22-W35 HydrophobicContact CG2-CH2 4.46Å; V25-W35 HydrophobicContact CB-CZ2 4.24Å; V25-W35 HydrophobicContact CG1-CD2 3.73Å; V25-W35 HydrophobicContact CG1-CE3 4.4Å; V25-W35 HydrophobicContact CG1-CG 3.88Å; V25-W35 HydrophobicContact CG1-CZ2 4Å; N26-W35 PolarHBondContact OD1-NE1 3.04Å; W35-K41 HydrophobicContact CH2-CB 4.5Å; W35-K41 VanDerWaalsContact CZ3-C 3.47Å; W35-K41 HydrophobicContact CZ3-CB 4Å; W35-L42 CarbonylContact C-O 3.53Å; W35-F43 HydrophobicContact CD2-CB 4.28Å; W35-F43 HydrophobicContact CE3-CB 3.71Å; W35-F43 HydrophobicContact CZ3-CB 3.92Å; W35-F43 AromaticContact CZ3-CD1 3.99Å; W35-F43 HydrophobicContact CZ3-CD1 3.99Å; W35-F43 HydrophobicContact CZ3-CG 4.34Å; W35-V120 HydrophobicContact CH2-CG2 4.03Å; W35-V120 HydrophobicContact CZ3-CG2 4.14Å
36	V	87.1	Confident	86.1	Confident	79 Å²	79	65.7 Å²	65.7	48%	0.479	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-36.9	166.8	-176	0	0	0	0	109.8	L42 I117	V36-L42 HydrophobicContact CB-CB 4.4Å; V36-L42 PolarHBondContact N-O 2.89Å; V36-I117 HydrophobicContact CG2-CD1 4.36Å; V36-I117 HydrophobicContact CG2-CG1 4.4Å; V36-I117 HydrophobicContact CG2-CG2 4.35Å
37	N	82.5	Confident	85.9	Confident	55 Å²	55	62.4 Å²	62.4	29%	0.294	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	110.3	171.5	-177.9	-46.6	0	0	0	108.4	E39 R40 K41 L42	N37-E39 PolarHBondContact OD1-N 2.69Å; N37-E39 VanDerWaalsContact OD1-N 3.1Å; N37-R40 HydrophobicContact CB-CB 4.32Å; N37-R40 PolarHBondContact OD1-N 3.03Å; N37-K41 PolarHBondContact O-N 2.82Å; N37-K41 VanDerWaalsContact O-N 3.12Å; N37-L42 HydrophobicContact CB-CB 4.21Å; N37-L42 HydrophobicContact CB-CD1 4.3Å; N37-L42 PolarHBondContact N-O 2.63Å; N37-L42 PolarHBondContact O-N 2.9Å
38	G	77.1	Confident	85.3	Confident	48 Å²	48	65.9 Å²	65.9	50%	0.495	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-36.5	-177.4	0	0	0	0	0	113.6	K41	G38-K41 PolarHBondContact O-N 3.47Å; G38-K41 VanDerWaalsContact O-N 3.16Å
39	E	75.1	Confident	84.5	Confident	182 Å²	182	65.9 Å²	65.9	85%	0.85	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-44.5	-179.7	-57.9	179.4	159.9	0	0	111.5	N37 K41	N37-E39 PolarHBondContact OD1-N 2.69Å; N37-E39 VanDerWaalsContact OD1-N 3.1Å; E39-K41 VanDerWaalsContact C-N 3.25Å; E39-K41 PolarHBondContact O-N 2.96Å
40	R	72.6	Confident	83.5	Confident	154 Å²	154	60.9 Å²	60.9	58%	0.581	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	1.9	175.3	-64.1	-173.1	60.6	-177.9	-3.3	113.6	N37 L42	N37-R40 HydrophobicContact CB-CB 4.32Å; N37-R40 PolarHBondContact OD1-N 3.03Å; R40-L42 HydrophobicContact CB-CD1 4.15Å; R40-L42 HydrophobicContact CB-CG 3.93Å; R40-L42 PolarHBondContact O-N 3.18Å
41	K	89.2	Confident	82.2	Confident	88 Å²	88	65.3 Å²	65.3	38%	0.383	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	42.5	-175.6	-51.8	178.4	-175.4	173.6	0	113	W35 N37 G38 E39 E119 V120 S122	W35-K41 HydrophobicContact CH2-CB 4.5Å; W35-K41 VanDerWaalsContact CZ3-C 3.47Å; W35-K41 HydrophobicContact CZ3-CB 4Å; N37-K41 PolarHBondContact O-N 2.82Å; N37-K41 VanDerWaalsContact O-N 3.12Å; G38-K41 PolarHBondContact O-N 3.47Å; G38-K41 VanDerWaalsContact O-N 3.16Å; E39-K41 VanDerWaalsContact C-N 3.25Å; E39-K41 PolarHBondContact O-N 2.96Å; K41-E119 WeakPolarHBondContact O-CA 3.33Å; K41-V120 HydrophobicContact CB-CB 3.85Å; K41-V120 HydrophobicContact CB-CG2 4.19Å; K41-V120 HydrophobicContact CD-CB 4.24Å; K41-V120 PolarHBondContact O-N 3.1Å; K41-S122 PolarHBondContact NZ-OG 3.44Å
42	L	90.1	Very high	80.9	Confident	18 Å²	18	70.6 Å²	70.6	9%	0.094	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.7	174	-61.6	178.7	0	0	0	109.9	W35 V36 N37 R40 I103 I117 Y118 E119	W35-L42 CarbonylContact C-O 3.53Å; V36-L42 HydrophobicContact CB-CB 4.4Å; V36-L42 PolarHBondContact N-O 2.89Å; N37-L42 HydrophobicContact CB-CB 4.21Å; N37-L42 HydrophobicContact CB-CD1 4.3Å; N37-L42 PolarHBondContact N-O 2.63Å; N37-L42 PolarHBondContact O-N 2.9Å; R40-L42 HydrophobicContact CB-CD1 4.15Å; R40-L42 HydrophobicContact CB-CG 3.93Å; R40-L42 PolarHBondContact O-N 3.18Å; L42-I103 HydrophobicContact CD2-CG1 3.96Å; L42-I117 HydrophobicContact CB-CG2 4.29Å; L42-Y118 CarbonylContact C-O 3.56Å; L42-Y118 WeakPolarHBondContact CA-O 3.45Å; L42-E119 HydrophobicContact CD2-CB 3.5Å; L42-E119 VanDerWaalsContact CD2-CB 3.5Å; L42-E119 HydrophobicContact CD2-CG 3.69Å
43	F	91.8	Very high	79.6	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.7	177.6	70.4	-77.2	0	0	0	112.5	L21 V25 L33 Q34 W35 I45 F100 I117 Y118 V120	L21-F43 HydrophobicContact CD2-CE2 3.88Å; L21-F43 HydrophobicContact CD2-CZ 3.76Å; L21-F43 HydrophobicContact CG-CE2 4.13Å; L21-F43 HydrophobicContact CG-CZ 4.25Å; V25-F43 HydrophobicContact CG1-CB 3.82Å; V25-F43 HydrophobicContact CG1-CG 4.44Å; V25-F43 HydrophobicContact CG2-CB 4.12Å; V25-F43 HydrophobicContact CG2-CD2 3.44Å; V25-F43 VanDerWaalsContact CG2-CD2 3.44Å; V25-F43 HydrophobicContact CG2-CE2 3.97Å; V25-F43 HydrophobicContact CG2-CG 3.86Å; L33-F43 HydrophobicContact CD1-CD2 4.34Å; Q34-F43 CarbonylContact O-C 3.58Å; Q34-F43 WeakPolarHBondContact O-CA 3.27Å; Q34-F43 WeakPolarHBondContact O-CB 3.4Å; W35-F43 HydrophobicContact CD2-CB 4.28Å; W35-F43 HydrophobicContact CE3-CB 3.71Å; W35-F43 HydrophobicContact CZ3-CB 3.92Å; W35-F43 AromaticContact CZ3-CD1 3.99Å; W35-F43 HydrophobicContact CZ3-CD1 3.99Å; W35-F43 HydrophobicContact CZ3-CG 4.34Å; F43-I45 HydrophobicContact CD2-CD1 4.5Å; F43-I45 HydrophobicContact CD2-CG1 4Å; F43-I45 HydrophobicContact CE2-CD1 3.75Å; F43-I45 HydrophobicContact CE2-CG1 3.75Å; F43-F100 AromaticContact CE1-CD1 3.65Å; F43-F100 HydrophobicContact CE1-CD1 3.65Å; F43-F100 AromaticContact CE1-CE1 3.61Å; F43-F100 HydrophobicContact CE1-CE1 3.61Å; F43-F100 AromaticContact CZ-CD1 3.7Å; F43-F100 HydrophobicContact CZ-CD1 3.7Å; F43-F100 AromaticContact CZ-CE1 3.56Å; F43-F100 HydrophobicContact CZ-CE1 3.56Å; F43-I117 CarbonylContact O-C 3.49Å; F43-I117 WeakPolarHBondContact O-CA 3.01Å; F43-Y118 VanDerWaalsContact CD1-O 3.29Å; F43-Y118 WeakPolarHBondContact CD1-O 3.32Å; F43-Y118 HydrophobicContact CZ-CG 4.37Å; F43-Y118 PolarHBondContact N-O 3.48Å; F43-Y118 PolarHBondContact O-N 2.91Å; F43-V120 HydrophobicContact CD1-CG2 3.97Å; F43-V120 HydrophobicContact CE1-CG2 3.75Å
44	Y	90	Very high	77.8	Confident	44 Å²	44	76.1 Å²	76.1	17%	0.173	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.7	-177	168.2	-68.8	0	0	0	109.7	G32 Q34 P46 Y115 K116	G32-Y44 WeakPolarHBondContact O-CD1 3.42Å; G32-Y44 VanDerWaalsContact O-CE1 3.29Å; G32-Y44 WeakPolarHBondContact O-CE1 3.41Å; Q34-Y44 PolarHBondContact N-O 3.3Å; Q34-Y44 PolarHBondContact O-N 2.96Å; Y44-P46 HydrophobicContact CE1-CB 4.29Å; Y44-P46 HydrophobicContact CE1-CG 3.9Å; Y44-Y115 AromaticContact CD2-CD2 3.44Å; Y44-Y115 HydrophobicContact CD2-CD2 3.44Å; Y44-Y115 VanDerWaalsContact CD2-CD2 3.44Å; Y44-Y115 HydrophobicContact CD2-CE2 4.07Å; Y44-Y115 AromaticContact CD2-CG 3.82Å; Y44-Y115 HydrophobicContact CD2-CG 3.82Å; Y44-Y115 AromaticContact CE2-CD1 3.79Å; Y44-Y115 HydrophobicContact CE2-CD1 3.79Å; Y44-Y115 AromaticContact CE2-CD2 3.32Å; Y44-Y115 HydrophobicContact CE2-CD2 3.32Å; Y44-Y115 HydrophobicContact CE2-CE1 4.4Å; Y44-Y115 AromaticContact CE2-CE2 4Å; Y44-Y115 HydrophobicContact CE2-CE2 4Å; Y44-Y115 AromaticContact CE2-CG 3.19Å; Y44-Y115 HydrophobicContact CE2-CG 3.19Å; Y44-Y115 HydrophobicContact CG-CD2 4.5Å; Y44-Y115 AromaticContact CZ-CG 3.79Å; Y44-K116 CarbonylContact C-O 3.58Å; Y44-K116 WeakPolarHBondContact CA-O 3.22Å
45	I	91.3	Very high	75.8	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.2	170.3	-47	-179.3	0	0	0	109.4	L33 F43 W47 I63 F64 L94 Y115 K116 Y118	L33-I45 HydrophobicContact CD1-CB 4.41Å; L33-I45 HydrophobicContact CD1-CG1 3.89Å; L33-I45 HydrophobicContact CD1-CG2 4.36Å; F43-I45 HydrophobicContact CD2-CD1 4.5Å; F43-I45 HydrophobicContact CD2-CG1 4Å; F43-I45 HydrophobicContact CE2-CD1 3.75Å; F43-I45 HydrophobicContact CE2-CG1 3.75Å; I45-W47 HydrophobicContact CB-CE3 4.43Å; I45-W47 HydrophobicContact CG2-CE3 4.04Å; I45-W47 HydrophobicContact CG2-CZ3 4.24Å; I45-W47 PolarHBondContact O-N 3.24Å; I45-I63 HydrophobicContact CG2-CG2 4.09Å; I45-F64 HydrophobicContact CG2-CZ 4.12Å; I45-L94 HydrophobicContact CD1-CD1 3.7Å; I45-Y115 WeakPolarHBondContact O-CA 3.45Å; I45-K116 PolarHBondContact N-O 2.88Å; I45-K116 PolarHBondContact O-N 2.84Å; I45-Y118 HydrophobicContact CD1-CD2 3.71Å; I45-Y118 HydrophobicContact CD1-CE2 3.78Å; I45-Y118 HydrophobicContact CG1-CD2 4.12Å; I45-Y118 HydrophobicContact CG1-CE2 4.44Å
46	P	87	Confident	73.7	Confident	22 Å²	22	76.9 Å²	76.9	14%	0.143	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	128	168.2	-5.7	15.5	0	0	0	110.7	P31 Y44	P31-P46 WeakPolarHBondContact O-CG 3.31Å; Y44-P46 HydrophobicContact CE1-CB 4.29Å; Y44-P46 HydrophobicContact CE1-CG 3.9Å
47	W	85.9	Confident	71.9	Confident	29 Å²	29	83.1 Å²	83.1	11%	0.11	43%	0.429	C	S	.	.			trans	-118.2	32.2	-170.1	-151.3	-100.5	0	0	0	114	I45 F64 K87 R91 L94 P114 K116	I45-W47 HydrophobicContact CB-CE3 4.43Å; I45-W47 HydrophobicContact CG2-CE3 4.04Å; I45-W47 HydrophobicContact CG2-CZ3 4.24Å; I45-W47 PolarHBondContact O-N 3.24Å; W47-F64 HydrophobicContact CD2-CZ 4.39Å; W47-F64 HydrophobicContact CE3-CE1 4Å; W47-F64 AromaticContact CE3-CZ 3.74Å; W47-F64 HydrophobicContact CE3-CZ 3.74Å; W47-F64 AromaticContact CH2-CE1 3.92Å; W47-F64 HydrophobicContact CH2-CE1 3.92Å; W47-F64 HydrophobicContact CH2-CZ 4.47Å; W47-F64 AromaticContact CZ3-CE1 3.55Å; W47-F64 HydrophobicContact CZ3-CE1 3.55Å; W47-F64 AromaticContact CZ3-CZ 3.8Å; W47-F64 HydrophobicContact CZ3-CZ 3.8Å; W47-K87 HydrophobicContact CZ2-CG 4.34Å; W47-K87 VanDerWaalsContact NE1-CE 3.28Å; W47-K87 PolarHBondContact O-NZ 3.03Å; W47-R91 HydrophobicContact CH2-CB 3.82Å; W47-R91 HydrophobicContact CH2-CG 4.21Å; W47-R91 HydrophobicContact CZ2-CB 3.68Å; W47-R91 HydrophobicContact CZ2-CG 3.78Å; W47-L94 HydrophobicContact CH2-CD1 4.48Å; W47-L94 HydrophobicContact CZ3-CD1 4.33Å; W47-P114 CarbonylContact C-O 3.44Å; W47-P114 WeakPolarHBondContact CA-O 3.42Å; W47-P114 PolarHBondContact N-O 2.83Å; W47-K116 HydrophobicContact CB-CG 4.36Å; W47-K116 HydrophobicContact CD2-CD 3.69Å; W47-K116 HydrophobicContact CD2-CG 4.33Å; W47-K116 HydrophobicContact CE3-CD 3.9Å; W47-K116 HydrophobicContact CG-CD 3.99Å; W47-K116 HydrophobicContact CG-CG 4.25Å; W47-K116 HydrophobicContact CZ2-CD 4.45Å; W47-K116 HydrophobicContact CZ3-CD 4.35Å
48	R	76.5	Confident	70.5	Confident	116 Å²	116	85.9 Å²	85.9	44%	0.438	44%	0.444	S	S	.	.			trans	-52.1	150.5	-177.3	-61.3	176	-176.7	-103.3	11.9	114	A50 K87	R48-A50 PolarHBondContact O-N 3.01Å; R48-K87 PolarHBondContact O-NZ 3.32Å
49	H	68.3	Low	69.4	Low	94 Å²	94	85.7 Å²	85.7	44%	0.435	44%	0.442	S	S	.	.			trans	-74	117.6	-179.4	-163.2	-68	0	0	0	111.3	T51 R52 H53	H49-T51 VanDerWaalsContact C-N 3.3Å; H49-T51 PolarHBondContact CE1-OG1 3.12Å; H49-T51 PolarHBondContact ND1-OG1 2.86Å; H49-T51 PolarHBondContact O-N 3.21Å; H49-R52 HydrophobicContact CB-CB 4.11Å; H49-R52 PolarHBondContact O-N 2.71Å; H49-H53 PolarHBondContact O-CD2 3.06Å
50	A	62.8	Low	68.7	Low	43 Å²	43	82.4 Å²	82.4	36%	0.355	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-36.6	-167.7	0	0	0	0	0	114.4	R48 P83 A84	R48-A50 PolarHBondContact O-N 3.01Å; A50-P83 HydrophobicContact CB-CB 4.26Å; A50-A84 HydrophobicContact CB-CB 4.41Å
51	T	59.8	Low	68.6	Low	108 Å²	108	79 Å²	79	66%	0.663	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-10.1	-175.3	54.6	0	0	0	0	115.5	H49	H49-T51 VanDerWaalsContact C-N 3.3Å; H49-T51 PolarHBondContact CE1-OG1 3.12Å; H49-T51 PolarHBondContact ND1-OG1 2.86Å; H49-T51 PolarHBondContact O-N 3.21Å
52	R	55.2	Low	68.5	Low	187 Å²	187	77.5 Å²	77.5	71%	0.706	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-9.6	-170.3	-78.9	-176.5	177.7	-91.8	4.2	115.1	H49	H49-R52 HydrophobicContact CB-CB 4.11Å; H49-R52 PolarHBondContact O-N 2.71Å
53	H	54.8	Low	68.5	Low	98 Å²	98	76.9 Å²	76.9	45%	0.454	42%	0.419	S	S	.	.	S	Bend	trans	-114.3	10.8	-171.8	-63.7	-60.1	0	0	0	114.6	H49	H49-H53 PolarHBondContact O-CD2 3.06Å
54	G	53	Low	68.5	Low	54 Å²	54	78 Å²	78	56%	0.557	42%	0.423	S	S	*	.			trans	62.9	-172.5	-176.7	0	0	0	0	0	113.4	S56	G54-S56 PolarHBondContact O-N 3.23Å
55	P	49.3	Very low	68.4	Low	131 Å²	131	76.2 Å²	76.2	85%	0.851	42%	0.417	S	S	*	.	S	Bend	trans	-62.2	121.6	162.4	-11.9	27.2	0	0	0	108
56	S	49.4	Very low	68.4	Low	64 Å²	64	77.2 Å²	77.2	45%	0.448	43%	0.425	S	S	.	.			trans	-59.9	144.4	169.3	38.8	0	0	0	0	109.9	G54 D58 G59	G54-S56 PolarHBondContact O-N 3.23Å; S56-D58 CarbonylContact O-C 3.4Å; S56-D58 PolarHBondContact O-N 3.48Å; S56-D58 PolarHBondContact OG-O 2.64Å; S56-G59 PolarHBondContact O-N 2.79Å
57	Q	49.4	Very low	68.6	Low	210 Å²	210	77 Å²	77	98%	0.981	42%	0.422	S	S	*	.	S	Bend	trans	-57.7	-28.6	170.3	-80.5	-172.8	-29	0	0	111.6	G59	Q57-G59 VanDerWaalsContact C-N 3.34Å; Q57-G59 PolarHBondContact O-N 2.98Å
58	D	51.6	Low	68.7	Low	113 Å²	113	75.7 Å²	75.7	60%	0.604	42%	0.417	S	S	*	.	S	Bend	trans	-82.4	77.8	160.6	-58.4	-51.1	0	0	0	110	S56	S56-D58 CarbonylContact O-C 3.4Å; S56-D58 PolarHBondContact O-N 3.48Å; S56-D58 PolarHBondContact OG-O 2.64Å
59	G	54.6	Low	69.3	Low	45 Å²	45	74.2 Å²	74.2	46%	0.464	41%	0.414	S	S	.	.			trans	-62.1	144.7	179.4	0	0	0	0	0	113	S56 Q57 N61	S56-G59 PolarHBondContact O-N 2.79Å; Q57-G59 VanDerWaalsContact C-N 3.34Å; Q57-G59 PolarHBondContact O-N 2.98Å; G59-N61 VanDerWaalsContact C-N 3.27Å; G59-N61 PolarHBondContact O-N 3.1Å
60	D	60.2	Low	70.3	Confident	112 Å²	112	74 Å²	74	60%	0.599	41%	0.413	S	S	*	.	S	Bend	trans	64.2	-31.8	167.5	-69.2	-52.9	0	0	0	120.5	T62 K65	D60-T62 VanDerWaalsContact C-N 3.31Å; D60-T62 PolarHBondContact O-N 3.27Å; D60-K65 HydrophobicContact CB-CD 4.3Å; D60-K65 WeakPolarHBondContact O-CD 3.27Å; D60-K65 IonicContact OD1-NZ 2.67Å; D60-K65 PolarHBondContact OD1-NZ 3.25Å; D60-K65 IonicContact OD2-NZ 2.78Å
61	N	70.6	Confident	71.3	Confident	84 Å²	84	74.1 Å²	74.1	45%	0.449	41%	0.409	S	S	.	.			trans	-85.5	63.5	-168.6	-164	23.4	0	0	0	114.2	R29 F30 P31 G59	R29-N61 PolarHBondContact O-ND2 3.41Å; F30-N61 WeakPolarHBondContact CD1-OD1 3.43Å; F30-N61 WeakPolarHBondContact CE1-OD1 3.31Å; P31-N61 WeakPolarHBondContact CD-O 3.29Å; G59-N61 VanDerWaalsContact C-N 3.27Å; G59-N61 PolarHBondContact O-N 3.1Å
62	T	87.1	Confident	72.5	Confident	55 Å²	55	71.4 Å²	71.4	34%	0.337	40%	0.402	S	S	.	.			trans	-102.9	147.8	175.3	70.3	0	0	0	0	112.5	D60 F64 K65 A66	D60-T62 VanDerWaalsContact C-N 3.31Å; D60-T62 PolarHBondContact O-N 3.27Å; T62-F64 PolarHBondContact O-N 2.68Å; T62-K65 PolarHBondContact O-N 3.47Å; T62-K65 PolarHBondContact OG1-N 2.68Å; T62-K65 VanDerWaalsContact OG1-N 3.17Å; T62-A66 PolarHBondContact O-N 2.88Å
63	I	90.5	Very high	73.7	Confident	6 Å²	6	68.7 Å²	68.7	3%	0.031	40%	0.396	C	S	.	.	H	α-helix	trans	-59.1	-28.3	174	-169.7	61.2	0	0	0	112.4	W20 L21 Q24 F30 L33 I45 W67 L90	W20-I63 HydrophobicContact CH2-CD1 3.45Å; W20-I63 VanDerWaalsContact CH2-CD1 3.45Å; W20-I63 HydrophobicContact CH2-CG1 4.27Å; W20-I63 HydrophobicContact CZ2-CD1 4.39Å; W20-I63 HydrophobicContact CZ3-CD1 3.69Å; W20-I63 HydrophobicContact CZ3-CG1 4.31Å; L21-I63 HydrophobicContact CD1-CD1 3.89Å; L21-I63 HydrophobicContact CD1-CG1 3.8Å; Q24-I63 HydrophobicContact CB-CD1 3.57Å; Q24-I63 HydrophobicContact CG-CD1 3.72Å; F30-I63 HydrophobicContact CD2-CD1 3.86Å; F30-I63 HydrophobicContact CE2-CD1 3.83Å; F30-I63 HydrophobicContact CG-CB 4.27Å; F30-I63 HydrophobicContact CG-CD1 4.38Å; F30-I63 HydrophobicContact CZ-CD1 4.33Å; L33-I63 HydrophobicContact CD2-CB 4.3Å; L33-I63 HydrophobicContact CD2-CD1 3.78Å; L33-I63 HydrophobicContact CD2-CG1 3.99Å; I45-I63 HydrophobicContact CG2-CG2 4.09Å; I63-W67 WeakPolarHBondContact O-CB 3.28Å; I63-W67 PolarHBondContact O-N 3.01Å; I63-L90 HydrophobicContact CG1-CD2 4.1Å; I63-L90 HydrophobicContact CG2-CD2 4.06Å
64	F	90.7	Very high	75.2	Confident	22 Å²	22	64.8 Å²	64.8	10%	0.096	38%	0.377	C	S	.	.	H	α-helix	trans	-66.4	-49.6	175.6	-51.7	-66.5	0	0	0	111.8	I45 W47 T62 A66 W67 A68 W86 K87 L90	I45-F64 HydrophobicContact CG2-CZ 4.12Å; W47-F64 HydrophobicContact CD2-CZ 4.39Å; W47-F64 HydrophobicContact CE3-CE1 4Å; W47-F64 AromaticContact CE3-CZ 3.74Å; W47-F64 HydrophobicContact CE3-CZ 3.74Å; W47-F64 AromaticContact CH2-CE1 3.92Å; W47-F64 HydrophobicContact CH2-CE1 3.92Å; W47-F64 HydrophobicContact CH2-CZ 4.47Å; W47-F64 AromaticContact CZ3-CE1 3.55Å; W47-F64 HydrophobicContact CZ3-CE1 3.55Å; W47-F64 AromaticContact CZ3-CZ 3.8Å; W47-F64 HydrophobicContact CZ3-CZ 3.8Å; T62-F64 PolarHBondContact O-N 2.68Å; F64-A66 VanDerWaalsContact C-N 3.33Å; F64-W67 PolarHBondContact O-N 2.93Å; F64-A68 PolarHBondContact O-N 3.43Å; F64-A68 VanDerWaalsContact O-N 3.09Å; F64-W86 HydrophobicContact CB-CB 4.11Å; F64-K87 HydrophobicContact CD1-CB 4.09Å; F64-K87 HydrophobicContact CD1-CG 3.99Å; F64-K87 HydrophobicContact CE1-CB 4.47Å; F64-K87 HydrophobicContact CE1-CG 3.86Å; F64-K87 HydrophobicContact CG-CB 4.23Å; F64-K87 HydrophobicContact CG-CG 4.4Å; F64-K87 HydrophobicContact CZ-CG 4.16Å; F64-L90 HydrophobicContact CD1-CB 3.96Å; F64-L90 HydrophobicContact CD1-CD2 3.61Å; F64-L90 HydrophobicContact CD1-CG 4.31Å; F64-L90 HydrophobicContact CE1-CB 4.45Å; F64-L90 HydrophobicContact CE1-CD2 3.85Å
65	K	89.3	Confident	76.7	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.035	37%	0.371	C	S	.	.	H	α-helix	trans	-62.8	-41.6	175.1	-169.5	178.7	-170.2	-172.2	0	110.9	D60 T62 W67 A68 K69 Y74 E76 W86	D60-K65 HydrophobicContact CB-CD 4.3Å; D60-K65 WeakPolarHBondContact O-CD 3.27Å; D60-K65 IonicContact OD1-NZ 2.67Å; D60-K65 PolarHBondContact OD1-NZ 3.25Å; D60-K65 IonicContact OD2-NZ 2.78Å; T62-K65 PolarHBondContact O-N 3.47Å; T62-K65 PolarHBondContact OG1-N 2.68Å; T62-K65 VanDerWaalsContact OG1-N 3.17Å; K65-W67 PolarHBondContact O-N 2.9Å; K65-A68 PolarHBondContact O-N 3.24Å; K65-K69 PolarHBondContact O-N 3.42Å; K65-Y74 HydrophobicContact CD-CE1 4.48Å; K65-Y74 VanDerWaalsContact CE-CE1 3.48Å; K65-Y74 HydrophobicContact CG-CD1 4.34Å; K65-Y74 HydrophobicContact CG-CE1 4.21Å; K65-E76 WeakPolarHBondContact CE-OE1 3.35Å; K65-E76 IonicContact NZ-OE1 2.77Å; K65-E76 PolarHBondContact NZ-OE1 2.56Å; K65-W86 HydrophobicContact CB-CD2 4.45Å; K65-W86 HydrophobicContact CB-CE3 3.65Å; K65-W86 HydrophobicContact CB-CH2 4.44Å; K65-W86 HydrophobicContact CB-CZ3 3.67Å; K65-W86 HydrophobicContact CD-CH2 3.94Å; K65-W86 HydrophobicContact CD-CZ3 3.76Å; K65-W86 HydrophobicContact CG-CE3 3.88Å; K65-W86 HydrophobicContact CG-CH2 3.77Å; K65-W86 HydrophobicContact CG-CZ2 4.4Å; K65-W86 HydrophobicContact CG-CZ3 3.48Å; K65-W86 VanDerWaalsContact CG-CZ3 3.48Å
66	A	90.6	Very high	78.4	Confident	21 Å²	21	64.3 Å²	64.3	17%	0.174	35%	0.354	C	S	.	.	H	α-helix	trans	-61.2	-43.5	177.1	0	0	0	0	0	112.7	W20 F30 T62 F64 A68 K69 E70	W20-A66 HydrophobicContact CH2-CB 4.13Å; W20-A66 HydrophobicContact CZ2-CB 4.04Å; F30-A66 HydrophobicContact CE1-CB 3.54Å; F30-A66 HydrophobicContact CZ-CB 3.48Å; F30-A66 VanDerWaalsContact CZ-CB 3.48Å; T62-A66 PolarHBondContact O-N 2.88Å; F64-A66 VanDerWaalsContact C-N 3.33Å; A66-A68 VanDerWaalsContact C-N 3.34Å; A66-A68 PolarHBondContact O-N 2.93Å; A66-K69 PolarHBondContact O-N 2.75Å; A66-E70 WeakPolarHBondContact O-CB 3.37Å; A66-E70 PolarHBondContact O-N 3.08Å
67	W	90.8	Very high	79.8	Confident	18 Å²	18	65.1 Å²	65.1	7%	0.068	37%	0.372	C	S	.	.	H	α-helix	trans	-65.6	-36.8	176.2	-177.5	-121.1	0	0	0	112.4	V15 L17 W20 I63 F64 K65 E70 T71 L90 A93	V15-W67 HydrophobicContact CG1-CZ3 4.32Å; L17-W67 HydrophobicContact CB-CH2 3.9Å; L17-W67 HydrophobicContact CB-CZ2 4.18Å; L17-W67 HydrophobicContact CD1-CD2 4.03Å; L17-W67 HydrophobicContact CD1-CE3 4.11Å; L17-W67 HydrophobicContact CD1-CH2 3.66Å; L17-W67 HydrophobicContact CD1-CZ2 3.55Å; L17-W67 HydrophobicContact CD1-CZ3 3.94Å; L17-W67 HydrophobicContact CG-CH2 4.41Å; L17-W67 HydrophobicContact CG-CZ2 4.44Å; W20-W67 HydrophobicContact CB-CZ3 4.36Å; W20-W67 AromaticContact CD2-CE3 3.69Å; W20-W67 HydrophobicContact CD2-CE3 3.69Å; W20-W67 AromaticContact CD2-CZ3 3.87Å; W20-W67 HydrophobicContact CD2-CZ3 3.87Å; W20-W67 HydrophobicContact CE3-CD2 4.29Å; W20-W67 AromaticContact CE3-CE3 3.33Å; W20-W67 HydrophobicContact CE3-CE3 3.33Å; W20-W67 AromaticContact CE3-CZ3 3.73Å; W20-W67 HydrophobicContact CE3-CZ3 3.73Å; W20-W67 HydrophobicContact CG-CE3 4.42Å; W20-W67 HydrophobicContact CG-CZ3 4.15Å; W20-W67 VanDerWaalsContact CH2-CA 3.49Å; W20-W67 HydrophobicContact CH2-CB 3.63Å; W20-W67 HydrophobicContact CH2-CD2 4.45Å; W20-W67 AromaticContact CH2-CE3 3.9Å; W20-W67 HydrophobicContact CH2-CE3 3.9Å; W20-W67 HydrophobicContact CH2-CG 4.42Å; W20-W67 HydrophobicContact CZ2-CB 4.47Å; W20-W67 HydrophobicContact CZ2-CE3 4.19Å; W20-W67 HydrophobicContact CZ3-CB 3.89Å; W20-W67 HydrophobicContact CZ3-CD2 4.05Å; W20-W67 AromaticContact CZ3-CE3 3.46Å; W20-W67 HydrophobicContact CZ3-CE3 3.46Å; W20-W67 VanDerWaalsContact CZ3-CE3 3.46Å; W20-W67 HydrophobicContact CZ3-CG 4.27Å; W20-W67 HydrophobicContact CZ3-CZ3 4.32Å; I63-W67 WeakPolarHBondContact O-CB 3.28Å; I63-W67 PolarHBondContact O-N 3.01Å; F64-W67 PolarHBondContact O-N 2.93Å; K65-W67 PolarHBondContact O-N 2.9Å; W67-E70 HydrophobicContact CE3-CB 4.36Å; W67-E70 PolarHBondContact O-N 3.23Å; W67-T71 HydrophobicContact CD2-CG2 3.79Å; W67-T71 VanDerWaalsContact CE2-CG2 3.5Å; W67-T71 HydrophobicContact CE3-CG2 3.97Å; W67-T71 HydrophobicContact CH2-CG2 3.66Å; W67-T71 HydrophobicContact CZ2-CG2 3.45Å; W67-T71 VanDerWaalsContact CZ2-CG2 3.45Å; W67-T71 HydrophobicContact CZ3-CG2 3.92Å; W67-T71 WeakPolarHBondContact O-CB 3.15Å; W67-T71 WeakPolarHBondContact O-CG2 3.31Å; W67-T71 PolarHBondContact O-N 2.94Å; W67-T71 PolarHBondContact O-OG1 3.22Å; W67-L90 HydrophobicContact CB-CD1 4.21Å; W67-L90 HydrophobicContact CD2-CD1 4.2Å; W67-L90 HydrophobicContact CG-CB 4.42Å; W67-L90 HydrophobicContact CG-CD1 3.76Å; W67-A93 HydrophobicContact CZ2-CB 4.33Å
68	A	89.4	Confident	81.6	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.008	36%	0.359	C	S	.	.	H	α-helix	trans	-64.5	-41.4	175.2	0	0	0	0	0	112.2	F64 K65 A66 T71 G72 K73 Y74 W86	F64-A68 PolarHBondContact O-N 3.43Å; F64-A68 VanDerWaalsContact O-N 3.09Å; K65-A68 PolarHBondContact O-N 3.24Å; A66-A68 VanDerWaalsContact C-N 3.34Å; A66-A68 PolarHBondContact O-N 2.93Å; A68-T71 PolarHBondContact O-OG1 3.29Å; A68-G72 PolarHBondContact O-N 2.96Å; A68-K73 PolarHBondContact O-N 3.18Å; A68-Y74 PolarHBondContact O-N 3.18Å; A68-Y74 VanDerWaalsContact O-N 3.14Å; A68-W86 HydrophobicContact CB-CB 4.18Å; A68-W86 HydrophobicContact CB-CD2 4.25Å; A68-W86 HydrophobicContact CB-CG 3.66Å
69	K	89.1	Confident	83.1	Confident	85 Å²	85	58.7 Å²	58.7	37%	0.37	35%	0.348	S	S	.	.	H	α-helix	trans	-63.5	-49.5	172.2	-68.9	-173.7	-177.1	-175.9	0	112.1	K65 A66 T71 G72 Y74 E76	K65-K69 PolarHBondContact O-N 3.42Å; A66-K69 PolarHBondContact O-N 2.75Å; K69-T71 VanDerWaalsContact C-N 3.29Å; K69-T71 PolarHBondContact O-N 2.99Å; K69-G72 PolarHBondContact O-N 3.02Å; K69-Y74 WeakPolarHBondContact CA-O 3.42Å; K69-Y74 HydrophobicContact CG-CD1 3.79Å; K69-Y74 HydrophobicContact CG-CE1 4.37Å; K69-E76 WeakPolarHBondContact CE-OE1 3.42Å; K69-E76 IonicContact NZ-OE1 2.68Å; K69-E76 PolarHBondContact NZ-OE1 3.31Å; K69-E76 IonicContact NZ-OE2 3.82Å; K69-E76 PolarHBondContact NZ-OE2 2.82Å
70	E	87.6	Confident	84.5	Confident	90 Å²	90	65.5 Å²	65.5	42%	0.421	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-38.5	-178.2	-169.1	80.1	-156.1	0	0	112.6	V15 W20 A66 W67 G72	V15-E70 HydrophobicContact CB-CG 4.13Å; V15-E70 HydrophobicContact CG1-CG 3.82Å; V15-E70 HydrophobicContact CG2-CG 3.99Å; W20-E70 VanDerWaalsContact CD1-CG 3.5Å; W20-E70 HydrophobicContact CD2-CG 4.37Å; W20-E70 HydrophobicContact CG-CG 4.2Å; W20-E70 HydrophobicContact CZ2-CB 4.07Å; W20-E70 HydrophobicContact CZ2-CG 4.4Å; W20-E70 PolarHBondContact NE1-OE2 2.84Å; A66-E70 WeakPolarHBondContact O-CB 3.37Å; A66-E70 PolarHBondContact O-N 3.08Å; W67-E70 HydrophobicContact CE3-CB 4.36Å; W67-E70 PolarHBondContact O-N 3.23Å; E70-G72 VanDerWaalsContact C-N 3.26Å; E70-G72 PolarHBondContact O-N 2.84Å
71	T	84.6	Confident	85.6	Confident	44 Å²	44	63.3 Å²	63.3	27%	0.27	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	2.4	178.1	53.7	0	0	0	0	113.9	W67 A68 K69 K73	W67-T71 HydrophobicContact CD2-CG2 3.79Å; W67-T71 VanDerWaalsContact CE2-CG2 3.5Å; W67-T71 HydrophobicContact CE3-CG2 3.97Å; W67-T71 HydrophobicContact CH2-CG2 3.66Å; W67-T71 HydrophobicContact CZ2-CG2 3.45Å; W67-T71 VanDerWaalsContact CZ2-CG2 3.45Å; W67-T71 HydrophobicContact CZ3-CG2 3.92Å; W67-T71 WeakPolarHBondContact O-CB 3.15Å; W67-T71 WeakPolarHBondContact O-CG2 3.31Å; W67-T71 PolarHBondContact O-N 2.94Å; W67-T71 PolarHBondContact O-OG1 3.22Å; A68-T71 PolarHBondContact O-OG1 3.29Å; K69-T71 VanDerWaalsContact C-N 3.29Å; K69-T71 PolarHBondContact O-N 2.99Å; T71-K73 PolarHBondContact O-N 2.94Å
72	G	84.1	Confident	86.1	Confident	51 Å²	51	62.5 Å²	62.5	53%	0.526	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	12.1	-175.3	0	0	0	0	0	114.3	A68 K69 E70 Y74	A68-G72 PolarHBondContact O-N 2.96Å; K69-G72 PolarHBondContact O-N 3.02Å; E70-G72 VanDerWaalsContact C-N 3.26Å; E70-G72 PolarHBondContact O-N 2.84Å; G72-Y74 VanDerWaalsContact C-N 3.27Å; G72-Y74 PolarHBondContact O-N 2.88Å
73	K	82	Confident	85.9	Confident	130 Å²	130	62.9 Å²	62.9	57%	0.565	37%	0.365	S	S	*	.	S	Bend	trans	-84.3	0.4	178.9	-66.4	-171.2	176.7	-169.6	0	113.3	A68 T71	A68-K73 PolarHBondContact O-N 3.18Å; T71-K73 PolarHBondContact O-N 2.94Å
74	Y	84.9	Confident	85.2	Confident	16 Å²	16	64.9 Å²	64.9	6%	0.063	38%	0.382	C	S	.	.			trans	-158.3	123.1	174.4	173	-109.1	0	0	0	111	K65 A68 K69 G72 E76 D79 W86	K65-Y74 HydrophobicContact CD-CE1 4.48Å; K65-Y74 VanDerWaalsContact CE-CE1 3.48Å; K65-Y74 HydrophobicContact CG-CD1 4.34Å; K65-Y74 HydrophobicContact CG-CE1 4.21Å; A68-Y74 PolarHBondContact O-N 3.18Å; A68-Y74 VanDerWaalsContact O-N 3.14Å; K69-Y74 WeakPolarHBondContact CA-O 3.42Å; K69-Y74 HydrophobicContact CG-CD1 3.79Å; K69-Y74 HydrophobicContact CG-CE1 4.37Å; G72-Y74 VanDerWaalsContact C-N 3.27Å; G72-Y74 PolarHBondContact O-N 2.88Å; Y74-E76 HydrophobicContact CE1-CB 4.09Å; Y74-D79 WeakPolarHBondContact CA-OD2 3.49Å; Y74-D79 HydrophobicContact CD2-CB 3.68Å; Y74-D79 HydrophobicContact CE2-CB 3.97Å; Y74-D79 WeakPolarHBondContact CE2-O 3.45Å; Y74-W86 HydrophobicContact CD1-CH2 4.34Å; Y74-W86 AromaticContact CD1-CZ2 3.7Å; Y74-W86 HydrophobicContact CD1-CZ2 3.7Å; Y74-W86 AromaticContact CD2-CZ2 3.5Å; Y74-W86 HydrophobicContact CD2-CZ2 3.5Å; Y74-W86 AromaticContact CD2-NE1 3.94Å; Y74-W86 HydrophobicContact CE1-CH2 4.05Å; Y74-W86 AromaticContact CE1-CZ2 3.75Å; Y74-W86 HydrophobicContact CE1-CZ2 3.75Å; Y74-W86 HydrophobicContact CE2-CH2 4.3Å; Y74-W86 AromaticContact CE2-CZ2 3.55Å; Y74-W86 HydrophobicContact CE2-CZ2 3.55Å; Y74-W86 AromaticContact CG-CE2 3.82Å; Y74-W86 AromaticContact CG-CZ2 3.58Å; Y74-W86 HydrophobicContact CG-CZ2 3.58Å; Y74-W86 AromaticContact CG-NE1 3.72Å; Y74-W86 AromaticContact CZ-CZ2 3.67Å
75	T	85.7	Confident	84.8	Confident	72 Å²	72	69.6 Å²	69.6	44%	0.442	40%	0.403	S	S	.	.			trans	-112.8	117.4	175.8	-52.6	0	0	0	0	109.3	G77 V78 D79	T75-G77 PolarHBondContact O-N 2.84Å; T75-V78 HydrophobicContact CG2-CB 4.03Å; T75-V78 HydrophobicContact CG2-CG2 3.88Å; T75-V78 PolarHBondContact O-N 2.91Å; T75-V78 VanDerWaalsContact O-N 3.14Å; T75-D79 WeakPolarHBondContact CB-OD2 3.35Å; T75-D79 PolarHBondContact N-OD2 3.31Å; T75-D79 PolarHBondContact O-N 3.33Å
76	E	83.9	Confident	84.7	Confident	104 Å²	104	69.9 Å²	69.9	49%	0.486	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	128.9	-175.3	-171.2	159.3	-100.1	0	0	111.8	K65 K69 Y74 V78	K65-E76 WeakPolarHBondContact CE-OE1 3.35Å; K65-E76 IonicContact NZ-OE1 2.77Å; K65-E76 PolarHBondContact NZ-OE1 2.56Å; K69-E76 WeakPolarHBondContact CE-OE1 3.42Å; K69-E76 IonicContact NZ-OE1 2.68Å; K69-E76 PolarHBondContact NZ-OE1 3.31Å; K69-E76 IonicContact NZ-OE2 3.82Å; K69-E76 PolarHBondContact NZ-OE2 2.82Å; Y74-E76 HydrophobicContact CE1-CB 4.09Å; E76-V78 VanDerWaalsContact C-N 3.28Å; E76-V78 PolarHBondContact O-N 2.65Å
77	G	80.6	Confident	84.4	Confident	80 Å²	80	70.4 Å²	70.4	83%	0.825	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	-2.3	-174.9	0	0	0	0	0	115.1	T75	T75-G77 PolarHBondContact O-N 2.84Å
78	V	85.6	Confident	83.8	Confident	116 Å²	116	71.2 Å²	71.2	70%	0.703	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-50.1	173.8	178.7	0	0	0	0	110.7	T75 E76	T75-V78 HydrophobicContact CG2-CB 4.03Å; T75-V78 HydrophobicContact CG2-CG2 3.88Å; T75-V78 PolarHBondContact O-N 2.91Å; T75-V78 VanDerWaalsContact O-N 3.14Å; E76-V78 VanDerWaalsContact C-N 3.28Å; E76-V78 PolarHBondContact O-N 2.65Å
79	D	84	Confident	83.6	Confident	72 Å²	72	73.1 Å²	73.1	39%	0.385	42%	0.422	S	S	.	.	S	Bend	trans	-92.4	148.1	179.8	-62.9	-48.6	0	0	0	111.4	Y74 T75	Y74-D79 WeakPolarHBondContact CA-OD2 3.49Å; Y74-D79 HydrophobicContact CD2-CB 3.68Å; Y74-D79 HydrophobicContact CE2-CB 3.97Å; Y74-D79 WeakPolarHBondContact CE2-O 3.45Å; T75-D79 WeakPolarHBondContact CB-OD2 3.35Å; T75-D79 PolarHBondContact N-OD2 3.31Å; T75-D79 PolarHBondContact O-N 3.33Å
80	E	83	Confident	83.5	Confident	189 Å²	189	69 Å²	69	88%	0.883	41%	0.405	S	S	*	.			trans	-68.7	145.1	169.1	-68	-161.7	142.9	0	0	111.6	D82	E80-D82 PolarHBondContact O-N 3.24Å
81	A	82.9	Confident	83.5	Confident	66 Å²	66	69.8 Å²	69.8	55%	0.545	40%	0.404	S	S	.	.			trans	-79.9	112.9	-176.3	0	0	0	0	0	111.9	P83 W86	A81-P83 WeakPolarHBondContact O-CD 3.09Å; A81-W86 HydrophobicContact CB-CH2 3.69Å; A81-W86 HydrophobicContact CB-CZ2 4.01Å
82	D	81.7	Confident	83.3	Confident	66 Å²	66	70.1 Å²	70.1	35%	0.353	41%	0.407	S	S	.	.			trans	-119.2	86.7	173.9	-174.8	-12.7	0	0	0	112.1	E80 A84 K85 W86	E80-D82 PolarHBondContact O-N 3.24Å; D82-A84 PolarHBondContact O-N 3.37Å; D82-A84 WeakPolarHBondContact OD1-CA 3.47Å; D82-A84 WeakPolarHBondContact OD1-CB 3.27Å; D82-A84 PolarHBondContact OD1-N 2.84Å; D82-K85 HydrophobicContact CB-CB 3.95Å; D82-K85 HydrophobicContact CB-CD 4.48Å; D82-K85 PolarHBondContact O-N 2.82Å; D82-K85 PolarHBondContact OD1-N 3.3Å; D82-K85 WeakPolarHBondContact OD2-CB 2.84Å; D82-W86 VanDerWaalsContact O-CD1 3.28Å; D82-W86 PolarHBondContact O-N 2.78Å
83	P	82.8	Confident	83.5	Confident	63 Å²	63	69 Å²	69	41%	0.409	39%	0.393	S	S	.	.	H	α-helix	trans	-61.7	-23.8	176.2	-24.6	35.1	0	0	0	114.5	A50 A81 W86 K87	A50-P83 HydrophobicContact CB-CB 4.26Å; A81-P83 WeakPolarHBondContact O-CD 3.09Å; P83-W86 HydrophobicContact CB-CE3 4.2Å; P83-W86 HydrophobicContact CB-CZ3 4.43Å; P83-W86 HydrophobicContact CG-CE3 4.25Å; P83-W86 HydrophobicContact CG-CZ3 4Å; P83-K87 VanDerWaalsContact O-CB 3.29Å; P83-K87 WeakPolarHBondContact O-CB 3.2Å; P83-K87 PolarHBondContact O-N 3.44Å; P83-K87 VanDerWaalsContact O-N 3.1Å
84	A	77.2	Confident	83.8	Confident	48 Å²	48	62.8 Å²	62.8	40%	0.397	37%	0.366	S	S	.	.	H	α-helix	trans	-73.1	-46.2	178.1	0	0	0	0	0	110.5	A50 D82 K87 A88	A50-A84 HydrophobicContact CB-CB 4.41Å; D82-A84 PolarHBondContact O-N 3.37Å; D82-A84 WeakPolarHBondContact OD1-CA 3.47Å; D82-A84 WeakPolarHBondContact OD1-CB 3.27Å; D82-A84 PolarHBondContact OD1-N 2.84Å; A84-K87 PolarHBondContact O-N 2.94Å; A84-A88 WeakPolarHBondContact O-CB 3.22Å; A84-A88 PolarHBondContact O-N 3.24Å
85	K	80.4	Confident	83.6	Confident	122 Å²	122	66.9 Å²	66.9	53%	0.53	39%	0.389	S	S	.	.	H	α-helix	trans	-63.8	-41.7	173.6	-177.6	178	-175.9	-178.6	0	112.3	D82 K87 A88 N89	D82-K85 HydrophobicContact CB-CB 3.95Å; D82-K85 HydrophobicContact CB-CD 4.48Å; D82-K85 PolarHBondContact O-N 2.82Å; D82-K85 PolarHBondContact OD1-N 3.3Å; D82-K85 WeakPolarHBondContact OD2-CB 2.84Å; K85-K87 PolarHBondContact O-N 3.21Å; K85-A88 PolarHBondContact O-N 3.04Å; K85-N89 WeakPolarHBondContact O-CB 3.4Å; K85-N89 PolarHBondContact O-N 3.19Å; K85-N89 PolarHBondContact O-ND2 3.46Å
86	W	87.9	Confident	83.3	Confident	13 Å²	13	68.1 Å²	68.1	5%	0.049	39%	0.388	C	S	.	.	H	α-helix	trans	-60.6	-44.2	174.7	-56.7	-20.1	0	0	0	112.2	F64 K65 A68 Y74 A81 D82 P83 N89 L90	F64-W86 HydrophobicContact CB-CB 4.11Å; K65-W86 HydrophobicContact CB-CD2 4.45Å; K65-W86 HydrophobicContact CB-CE3 3.65Å; K65-W86 HydrophobicContact CB-CH2 4.44Å; K65-W86 HydrophobicContact CB-CZ3 3.67Å; K65-W86 HydrophobicContact CD-CH2 3.94Å; K65-W86 HydrophobicContact CD-CZ3 3.76Å; K65-W86 HydrophobicContact CG-CE3 3.88Å; K65-W86 HydrophobicContact CG-CH2 3.77Å; K65-W86 HydrophobicContact CG-CZ2 4.4Å; K65-W86 HydrophobicContact CG-CZ3 3.48Å; K65-W86 VanDerWaalsContact CG-CZ3 3.48Å; A68-W86 HydrophobicContact CB-CB 4.18Å; A68-W86 HydrophobicContact CB-CD2 4.25Å; A68-W86 HydrophobicContact CB-CG 3.66Å; Y74-W86 HydrophobicContact CD1-CH2 4.34Å; Y74-W86 AromaticContact CD1-CZ2 3.7Å; Y74-W86 HydrophobicContact CD1-CZ2 3.7Å; Y74-W86 AromaticContact CD2-CZ2 3.5Å; Y74-W86 HydrophobicContact CD2-CZ2 3.5Å; Y74-W86 AromaticContact CD2-NE1 3.94Å; Y74-W86 HydrophobicContact CE1-CH2 4.05Å; Y74-W86 AromaticContact CE1-CZ2 3.75Å; Y74-W86 HydrophobicContact CE1-CZ2 3.75Å; Y74-W86 HydrophobicContact CE2-CH2 4.3Å; Y74-W86 AromaticContact CE2-CZ2 3.55Å; Y74-W86 HydrophobicContact CE2-CZ2 3.55Å; Y74-W86 AromaticContact CG-CE2 3.82Å; Y74-W86 AromaticContact CG-CZ2 3.58Å; Y74-W86 HydrophobicContact CG-CZ2 3.58Å; Y74-W86 AromaticContact CG-NE1 3.72Å; Y74-W86 AromaticContact CZ-CZ2 3.67Å; A81-W86 HydrophobicContact CB-CH2 3.69Å; A81-W86 HydrophobicContact CB-CZ2 4.01Å; D82-W86 VanDerWaalsContact O-CD1 3.28Å; D82-W86 PolarHBondContact O-N 2.78Å; P83-W86 HydrophobicContact CB-CE3 4.2Å; P83-W86 HydrophobicContact CB-CZ3 4.43Å; P83-W86 HydrophobicContact CG-CE3 4.25Å; P83-W86 HydrophobicContact CG-CZ3 4Å; W86-N89 PolarHBondContact O-N 2.94Å; W86-L90 PolarHBondContact O-N 3.39Å; W86-L90 VanDerWaalsContact O-N 3.11Å
87	K	85	Confident	83.4	Confident	32 Å²	32	64.2 Å²	64.2	14%	0.139	37%	0.372	C	S	.	.	H	α-helix	trans	-66.1	-40.7	177	-172.8	-179.5	-178.6	-170.8	0	112.1	W47 R48 F64 P83 A84 K85 R91	W47-K87 HydrophobicContact CZ2-CG 4.34Å; W47-K87 VanDerWaalsContact NE1-CE 3.28Å; W47-K87 PolarHBondContact O-NZ 3.03Å; R48-K87 PolarHBondContact O-NZ 3.32Å; F64-K87 HydrophobicContact CD1-CB 4.09Å; F64-K87 HydrophobicContact CD1-CG 3.99Å; F64-K87 HydrophobicContact CE1-CB 4.47Å; F64-K87 HydrophobicContact CE1-CG 3.86Å; F64-K87 HydrophobicContact CG-CB 4.23Å; F64-K87 HydrophobicContact CG-CG 4.4Å; F64-K87 HydrophobicContact CZ-CG 4.16Å; P83-K87 VanDerWaalsContact O-CB 3.29Å; P83-K87 WeakPolarHBondContact O-CB 3.2Å; P83-K87 PolarHBondContact O-N 3.44Å; P83-K87 VanDerWaalsContact O-N 3.1Å; A84-K87 PolarHBondContact O-N 2.94Å; K85-K87 PolarHBondContact O-N 3.21Å; K87-R91 WeakPolarHBondContact O-CB 3.45Å; K87-R91 PolarHBondContact O-N 3.24Å
88	A	78.6	Confident	83.7	Confident	35 Å²	35	70.4 Å²	70.4	29%	0.289	37%	0.371	S	S	.	.	H	α-helix	trans	-61.9	-45	174.2	0	0	0	0	0	111.6	A84 K85 R91 C92	A84-A88 WeakPolarHBondContact O-CB 3.22Å; A84-A88 PolarHBondContact O-N 3.24Å; K85-A88 PolarHBondContact O-N 3.04Å; A88-R91 WeakPolarHBondContact O-CB 3.2Å; A88-R91 PolarHBondContact O-N 2.86Å; A88-C92 PolarHBondContact O-N 3.06Å; A88-C92 PolarHBondContact O-SG 3.12Å; A88-C92 VanDerWaalsContact O-SG 3.34Å
89	N	85.3	Confident	83.9	Confident	41 Å²	41	67 Å²	67	22%	0.219	35%	0.349	C	S	.	.	H	α-helix	trans	-59.6	-48.3	178.5	-74.1	-20.1	0	0	0	112.6	K85 W86 R91 C92 A93	K85-N89 WeakPolarHBondContact O-CB 3.4Å; K85-N89 PolarHBondContact O-N 3.19Å; K85-N89 PolarHBondContact O-ND2 3.46Å; W86-N89 PolarHBondContact O-N 2.94Å; N89-R91 VanDerWaalsContact C-N 3.35Å; N89-C92 PolarHBondContact O-N 3.16Å; N89-A93 WeakPolarHBondContact O-CB 3.46Å; N89-A93 PolarHBondContact O-N 3.33Å
90	L	86.4	Confident	84.3	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-34.6	177.8	-174.7	58.3	0	0	0	111.9	L17 I63 F64 W67 W86 A93 L94	L17-L90 HydrophobicContact CD1-CD1 3.74Å; I63-L90 HydrophobicContact CG1-CD2 4.1Å; I63-L90 HydrophobicContact CG2-CD2 4.06Å; F64-L90 HydrophobicContact CD1-CB 3.96Å; F64-L90 HydrophobicContact CD1-CD2 3.61Å; F64-L90 HydrophobicContact CD1-CG 4.31Å; F64-L90 HydrophobicContact CE1-CB 4.45Å; F64-L90 HydrophobicContact CE1-CD2 3.85Å; W67-L90 HydrophobicContact CB-CD1 4.21Å; W67-L90 HydrophobicContact CD2-CD1 4.2Å; W67-L90 HydrophobicContact CG-CB 4.42Å; W67-L90 HydrophobicContact CG-CD1 3.76Å; W86-L90 PolarHBondContact O-N 3.39Å; W86-L90 VanDerWaalsContact O-N 3.11Å; L90-A93 PolarHBondContact O-N 2.96Å; L90-L94 HydrophobicContact CD1-CD1 4.4Å; L90-L94 HydrophobicContact CD1-CG 4.37Å; L90-L94 HydrophobicContact CG-CD1 4.06Å; L90-L94 WeakPolarHBondContact O-CB 3.46Å; L90-L94 WeakPolarHBondContact O-CG 3.24Å; L90-L94 PolarHBondContact O-N 3.08Å
91	R	86.5	Confident	84.6	Confident	106 Å²	106	62 Å²	62	40%	0.4	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-48.4	173.3	-174.5	-179	55.6	77.1	-0.1	111.9	W47 K87 A88 N89 L94 N95	W47-R91 HydrophobicContact CH2-CB 3.82Å; W47-R91 HydrophobicContact CH2-CG 4.21Å; W47-R91 HydrophobicContact CZ2-CB 3.68Å; W47-R91 HydrophobicContact CZ2-CG 3.78Å; K87-R91 WeakPolarHBondContact O-CB 3.45Å; K87-R91 PolarHBondContact O-N 3.24Å; A88-R91 WeakPolarHBondContact O-CB 3.2Å; A88-R91 PolarHBondContact O-N 2.86Å; N89-R91 VanDerWaalsContact C-N 3.35Å; R91-L94 PolarHBondContact O-N 3.26Å; R91-N95 WeakPolarHBondContact O-CB 3.33Å; R91-N95 PolarHBondContact O-N 2.85Å; R91-N95 PolarHBondContact O-OD1 2.9Å
92	C	81.9	Confident	85	Confident	50 Å²	50	62.2 Å²	62.2	34%	0.338	31%	0.308	S	S	.	.	H	α-helix	trans	-64.7	-43.6	178.6	-65.7	0	0	0	0	110.8	A88 N89 L94 N95 K96	A88-C92 PolarHBondContact O-N 3.06Å; A88-C92 PolarHBondContact O-SG 3.12Å; A88-C92 VanDerWaalsContact O-SG 3.34Å; N89-C92 PolarHBondContact O-N 3.16Å; C92-L94 PolarHBondContact O-N 2.86Å; C92-N95 PolarHBondContact O-N 3.46Å; C92-K96 WeakPolarHBondContact O-CB 3.32Å; C92-K96 VanDerWaalsContact O-CG 3.3Å; C92-K96 WeakPolarHBondContact O-CG 3.43Å; C92-K96 PolarHBondContact O-N 3.01Å
93	A	87.9	Confident	85.3	Confident	27 Å²	27	63.1 Å²	63.1	22%	0.223	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-42.1	176.6	0	0	0	0	0	112.6	L17 W67 N89 L90 S97	L17-A93 HydrophobicContact CD1-CB 4.29Å; L17-A93 VanDerWaalsContact CD2-C 3.46Å; L17-A93 HydrophobicContact CD2-CB 3.86Å; L17-A93 VanDerWaalsContact CD2-O 3.28Å; L17-A93 WeakPolarHBondContact CD2-O 3.5Å; W67-A93 HydrophobicContact CZ2-CB 4.33Å; N89-A93 WeakPolarHBondContact O-CB 3.46Å; N89-A93 PolarHBondContact O-N 3.33Å; L90-A93 PolarHBondContact O-N 2.96Å; A93-S97 VanDerWaalsContact O-CB 3.24Å; A93-S97 WeakPolarHBondContact O-CB 3.01Å; A93-S97 PolarHBondContact O-N 3.3Å
94	L	87.8	Confident	85.4	Confident	1 Å²	1	65 Å²	65	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-45.5	174.7	-80.6	166.4	0	0	0	112.6	L17 L21 I45 W47 L90 R91 C92 S97 F100 Y118	L17-L94 HydrophobicContact CD2-CD2 4.42Å; L21-L94 HydrophobicContact CD2-CD2 3.63Å; L21-L94 HydrophobicContact CD2-CG 4.46Å; I45-L94 HydrophobicContact CD1-CD1 3.7Å; W47-L94 HydrophobicContact CH2-CD1 4.48Å; W47-L94 HydrophobicContact CZ3-CD1 4.33Å; L90-L94 HydrophobicContact CD1-CD1 4.4Å; L90-L94 HydrophobicContact CD1-CG 4.37Å; L90-L94 HydrophobicContact CG-CD1 4.06Å; L90-L94 WeakPolarHBondContact O-CB 3.46Å; L90-L94 WeakPolarHBondContact O-CG 3.24Å; L90-L94 PolarHBondContact O-N 3.08Å; R91-L94 PolarHBondContact O-N 3.26Å; C92-L94 PolarHBondContact O-N 2.86Å; L94-S97 PolarHBondContact O-N 3.08Å; L94-F100 HydrophobicContact CD2-CB 4.09Å; L94-F100 HydrophobicContact CD2-CD1 4.25Å; L94-F100 HydrophobicContact CD2-CD2 3.96Å; L94-F100 HydrophobicContact CD2-CE2 4.45Å; L94-F100 HydrophobicContact CD2-CG 3.84Å; L94-Y118 HydrophobicContact CB-CE1 4.13Å; L94-Y118 HydrophobicContact CD1-CE1 4.39Å; L94-Y118 HydrophobicContact CD1-CE2 4.06Å; L94-Y118 HydrophobicContact CD2-CD1 4.32Å; L94-Y118 HydrophobicContact CD2-CE1 4.28Å
95	N	81.1	Confident	85.7	Confident	102 Å²	102	65.5 Å²	65.5	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-68.7	-33	-178.1	-76.9	16.6	0	0	0	113.1	R91 C92	R91-N95 WeakPolarHBondContact O-CB 3.33Å; R91-N95 PolarHBondContact O-N 2.85Å; R91-N95 PolarHBondContact O-OD1 2.9Å; C92-N95 PolarHBondContact O-N 3.46Å
96	K	79.3	Confident	85.4	Confident	98 Å²	98	59.8 Å²	59.8	43%	0.426	28%	0.284	S	S	.	.	H	α-helix	trans	-81	-19.3	178.7	-69.4	-176.5	170	-164.1	0	113.3	C92 R98 E143	C92-K96 WeakPolarHBondContact O-CB 3.32Å; C92-K96 VanDerWaalsContact O-CG 3.3Å; C92-K96 WeakPolarHBondContact O-CG 3.43Å; C92-K96 PolarHBondContact O-N 3.01Å; K96-R98 PolarHBondContact O-N 2.75Å; K96-E143 VanDerWaalsContact CD-OE1 3.22Å; K96-E143 WeakPolarHBondContact CD-OE1 3.44Å; K96-E143 IonicContact NZ-OE1 3.92Å; K96-E143 PolarHBondContact NZ-OE1 2.85Å; K96-E143 IonicContact NZ-OE2 3.26Å; K96-E143 PolarHBondContact NZ-OE2 2.88Å
97	S	85.7	Confident	84.6	Confident	22 Å²	22	62.4 Å²	62.4	15%	0.154	30%	0.302	C	S	.	.			trans	-84.7	115.2	-174.3	-176.8	0	0	0	0	112.1	A93 L94 D99 F100	A93-S97 VanDerWaalsContact O-CB 3.24Å; A93-S97 WeakPolarHBondContact O-CB 3.01Å; A93-S97 PolarHBondContact O-N 3.3Å; L94-S97 PolarHBondContact O-N 3.08Å; S97-D99 PolarHBondContact O-N 2.81Å; S97-D99 WeakPolarHBondContact OG-CB 3.46Å; S97-D99 PolarHBondContact OG-N 2.89Å; S97-F100 PolarHBondContact O-N 2.84Å; S97-F100 VanDerWaalsContact O-N 3.09Å
98	R	86.7	Confident	83.5	Confident	209 Å²	209	69.9 Å²	69.9	79%	0.789	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-12.6	171.4	-58.6	-175.5	-173.4	-176.8	3.7	113.5	K96 F100	K96-R98 PolarHBondContact O-N 2.75Å; R98-F100 VanDerWaalsContact C-N 3.34Å
99	D	90.3	Very high	82.1	Confident	45 Å²	45	74.6 Å²	74.6	24%	0.241	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.2	177.5	-65.1	-52.3	0	0	0	114.1	K18 S97 V120 C121	K18-D99 HydrophobicContact CB-CB 3.84Å; K18-D99 WeakPolarHBondContact CB-OD2 3.27Å; K18-D99 HydrophobicContact CD-CB 3.68Å; K18-D99 VanDerWaalsContact CD-CG 3.4Å; K18-D99 WeakPolarHBondContact CD-OD1 3.14Å; K18-D99 WeakPolarHBondContact CE-OD1 3.24Å; K18-D99 HydrophobicContact CG-CB 3.75Å; K18-D99 IonicContact NZ-OD1 3.86Å; K18-D99 PolarHBondContact NZ-OD1 3.19Å; S97-D99 PolarHBondContact O-N 2.81Å; S97-D99 WeakPolarHBondContact OG-CB 3.46Å; S97-D99 PolarHBondContact OG-N 2.89Å; D99-V120 CarbonylContact O-C 3.59Å; D99-V120 WeakPolarHBondContact O-CA 3.42Å; D99-C121 PolarHBondContact O-N 3.23Å
100	F	91.6	Very high	80.4	Confident	14 Å²	14	80.3 Å²	80.3	6%	0.061	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.4	-176.1	-64.9	-74.4	0	0	0	111.8	L17 K18 L21 F43 L94 S97 R98 Y118 E119 V120	L17-F100 HydrophobicContact CD2-CD2 3.98Å; L17-F100 HydrophobicContact CD2-CE2 3.8Å; L17-F100 HydrophobicContact CG-CE2 3.85Å; K18-F100 HydrophobicContact CB-CE2 4.12Å; K18-F100 HydrophobicContact CB-CZ 4.3Å; K18-F100 HydrophobicContact CG-CE2 4.48Å; K18-F100 HydrophobicContact CG-CZ 4.31Å; L21-F100 HydrophobicContact CB-CZ 4Å; L21-F100 HydrophobicContact CD2-CE1 4.02Å; L21-F100 HydrophobicContact CD2-CE2 4.35Å; L21-F100 HydrophobicContact CD2-CZ 3.83Å; L21-F100 HydrophobicContact CG-CZ 4.31Å; F43-F100 AromaticContact CE1-CD1 3.65Å; F43-F100 HydrophobicContact CE1-CD1 3.65Å; F43-F100 AromaticContact CE1-CE1 3.61Å; F43-F100 HydrophobicContact CE1-CE1 3.61Å; F43-F100 AromaticContact CZ-CD1 3.7Å; F43-F100 HydrophobicContact CZ-CD1 3.7Å; F43-F100 AromaticContact CZ-CE1 3.56Å; F43-F100 HydrophobicContact CZ-CE1 3.56Å; L94-F100 HydrophobicContact CD2-CB 4.09Å; L94-F100 HydrophobicContact CD2-CD1 4.25Å; L94-F100 HydrophobicContact CD2-CD2 3.96Å; L94-F100 HydrophobicContact CD2-CE2 4.45Å; L94-F100 HydrophobicContact CD2-CG 3.84Å; S97-F100 PolarHBondContact O-N 2.84Å; S97-F100 VanDerWaalsContact O-N 3.09Å; R98-F100 VanDerWaalsContact C-N 3.34Å; F100-Y118 HydrophobicContact CB-CD1 4.36Å; F100-E119 WeakPolarHBondContact CA-O 3.36Å; F100-V120 HydrophobicContact CD1-CG2 4.23Å; F100-V120 HydrophobicContact CE1-CG2 3.9Å
101	R	90.3	Very high	79	Confident	143 Å²	143	85.8 Å²	85.8	54%	0.54	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.6	175.3	178.5	162.6	60.6	-175	1.3	110.1	I103 Y118 E119	R101-I103 HydrophobicContact CG-CD1 3.92Å; R101-I103 PolarHBondContact O-N 2.84Å; R101-Y118 CarbonylContact O-C 3.58Å; R101-Y118 WeakPolarHBondContact O-CA 3.5Å; R101-E119 HydrophobicContact CB-CB 4.37Å; R101-E119 IonicContact CZ-OE2 3.57Å; R101-E119 PolarHBondContact N-O 3.13Å; R101-E119 IonicContact NE-OE2 2.87Å; R101-E119 PolarHBondContact NE-OE2 2.9Å; R101-E119 IonicContact NH2-OE1 2.91Å; R101-E119 IonicContact NH2-OE2 2.68Å; R101-E119 PolarHBondContact NH2-OE2 3.17Å; R101-E119 PolarHBondContact O-N 3.07Å
102	L	90.8	Very high	77.6	Confident	70 Å²	70	84.9 Å²	84.9	37%	0.366	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	118.3	173.6	179.2	64.2	0	0	0	109	Y104 D105 K116 Y118	L102-Y104 WeakPolarHBondContact CD1-O 3.36Å; L102-D105 HydrophobicContact CD2-CB 4.47Å; L102-K116 HydrophobicContact CD1-CB 3.86Å; L102-K116 HydrophobicContact CD1-CD 4.14Å; L102-K116 HydrophobicContact CD1-CG 4.1Å; L102-Y118 HydrophobicContact CB-CD1 4.1Å; L102-Y118 HydrophobicContact CB-CE1 3.82Å; L102-Y118 HydrophobicContact CD1-CD1 4.26Å; L102-Y118 HydrophobicContact CD1-CD2 4.28Å; L102-Y118 HydrophobicContact CD1-CE1 3.92Å; L102-Y118 HydrophobicContact CD1-CE2 3.94Å; L102-Y118 HydrophobicContact CD1-CG 4.44Å; L102-Y118 HydrophobicContact CG-CE1 4.41Å
103	I	89.1	Confident	76.7	Confident	84 Å²	84	87.2 Å²	87.2	43%	0.431	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-32	-179.7	-57.5	-60.3	0	0	0	111.3	L42 R101 I117 E119	L42-I103 HydrophobicContact CD2-CG1 3.96Å; R101-I103 HydrophobicContact CG-CD1 3.92Å; R101-I103 PolarHBondContact O-N 2.84Å; I103-I117 PolarHBondContact N-O 2.97Å; I103-E119 HydrophobicContact CD1-CB 4.01Å; I103-E119 HydrophobicContact CG1-CB 3.79Å
104	Y	84.5	Confident	76.1	Confident	104 Å²	104	87.2 Å²	87.2	41%	0.408	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	130.1	-177.8	-173.7	-106.6	0	0	0	111.8	L102 Y115 K116 I117	L102-Y104 WeakPolarHBondContact CD1-O 3.36Å; Y104-Y115 HydrophobicContact CD1-CD2 4.4Å; Y104-Y115 AromaticContact CD1-CE2 3.66Å; Y104-Y115 HydrophobicContact CD1-CE2 3.66Å; Y104-Y115 AromaticContact CE1-CE2 3.73Å; Y104-Y115 HydrophobicContact CE1-CE2 3.73Å; Y104-Y115 AromaticContact CE1-CZ 3.69Å; Y104-Y115 WeakPolarHBondContact CE1-OH 3.39Å; Y104-K116 VanDerWaalsContact O-CA 3.31Å; Y104-K116 WeakPolarHBondContact O-CA 3.32Å; Y104-I117 HydrophobicContact CD1-CD1 4.47Å; Y104-I117 PolarHBondContact N-O 2.83Å; Y104-I117 PolarHBondContact O-N 2.69Å
105	D	83.6	Confident	75.9	Confident	58 Å²	58	90.3 Å²	90.3	31%	0.31	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.1	167.5	-164.2	18.5	0	0	0	108.5	L102 R108 K116	L102-D105 HydrophobicContact CD2-CB 4.47Å; D105-R108 IonicContact OD2-CZ 2.65Å; D105-R108 IonicContact OD2-NE 2.84Å; D105-R108 IonicContact OD2-NH2 2.92Å; D105-R108 PolarHBondContact OD2-NH2 2.84Å; D105-K116 WeakPolarHBondContact OD1-CE 3.38Å; D105-K116 WeakPolarHBondContact OD1-CG 3.34Å; D105-K116 IonicContact OD1-NZ 3.32Å; D105-K116 PolarHBondContact OD1-NZ 2.81Å; D105-K116 IonicContact OD2-NZ 2.75Å; D105-K116 PolarHBondContact OD2-NZ 2.79Å
106	G	73.6	Confident	76.3	Confident	2 Å²	2	86.2 Å²	86.2	2%	0.021	41%	0.414	C	S	.	.			trans	-68.6	161.5	-175.1	0	0	0	0	0	113.8	Y115	G106-Y115 WeakPolarHBondContact CA-O 3.48Å; G106-Y115 PolarHBondContact N-O 2.89Å
107	P	70.6	Confident	76.8	Confident	67 Å²	67	82.9 Å²	82.9	44%	0.435	40%	0.4	S	S	.	.			trans	-57.6	146.3	-179.3	24.1	-34	0	0	0	111.9
108	R	61.6	Low	77.1	Confident	190 Å²	190	82 Å²	82	72%	0.717	39%	0.393	S	S	*	.			trans	-102.6	-10.3	-171	-61.8	-178.3	-177.3	174.2	3.7	113.9	D105	D105-R108 IonicContact OD2-CZ 2.65Å; D105-R108 IonicContact OD2-NE 2.84Å; D105-R108 IonicContact OD2-NH2 2.92Å; D105-R108 PolarHBondContact OD2-NH2 2.84Å
109	D	50.6	Low	77.4	Confident	134 Å²	134	73.3 Å²	73.3	72%	0.717	36%	0.362	S	S	*	.	S	Bend	trans	-93.4	151.3	-173.5	-57.2	-54.5	0	0	0	112.9	P111	D109-P111 CarbonylContact O-C 3.57Å
110	M	48.6	Very low	77.5	Confident	160 Å²	160	71.7 Å²	71.7	79%	0.788	35%	0.353	S	S	*	.	S	Bend	trans	-90.2	136.7	-162.3	-178	-178.5	-66.9	0	0	113.2
111	P	58.2	Low	77.3	Confident	116 Å²	116	72.3 Å²	72.3	75%	0.753	36%	0.359	S	S	*	.	S	Bend	cis	-88.6	145.7	-24.4	35.9	-29.6	0	0	0	110.2	D109	D109-P111 CarbonylContact O-C 3.57Å
112	P	56.9	Low	76.4	Confident	87 Å²	87	69.4 Å²	69.4	57%	0.565	36%	0.361	S	S	*	.	S	Bend		-138.8	-163.5	64.7	37	-18.3	0	0	0	113.7	P114	P112-P114 VanDerWaalsContact O-CD 3.27Å; P112-P114 WeakPolarHBondContact O-CD 3.42Å
113	Q	61.3	Low	74.6	Confident	99 Å²	99	71.6 Å²	71.6	46%	0.463	37%	0.373	S	S	.	.			trans	-67.1	112.7	-173.3	-48	176.8	11.7	0	0	110	Y115	Q113-Y115 WeakPolarHBondContact O-CD1 3.33Å; Q113-Y115 PolarHBondContact O-N 2.87Å
114	P	75.6	Confident	72.5	Confident	26 Å²	26	70.5 Å²	70.5	17%	0.169	38%	0.382	C	S	.	.			trans	-67.4	138.1	179.3	27.4	-34.2	0	0	0	109.6	W47 P112	W47-P114 CarbonylContact C-O 3.44Å; W47-P114 WeakPolarHBondContact CA-O 3.42Å; W47-P114 PolarHBondContact N-O 2.83Å; P112-P114 VanDerWaalsContact O-CD 3.27Å; P112-P114 WeakPolarHBondContact O-CD 3.42Å
115	Y	84	Confident	70.5	Confident	67 Å²	67	72 Å²	72	26%	0.263	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	164.1	-177.1	67.2	-93.6	0	0	0	111.3	Y44 I45 Y104 G106 Q113 I117	Y44-Y115 AromaticContact CD2-CD2 3.44Å; Y44-Y115 HydrophobicContact CD2-CD2 3.44Å; Y44-Y115 VanDerWaalsContact CD2-CD2 3.44Å; Y44-Y115 HydrophobicContact CD2-CE2 4.07Å; Y44-Y115 AromaticContact CD2-CG 3.82Å; Y44-Y115 HydrophobicContact CD2-CG 3.82Å; Y44-Y115 AromaticContact CE2-CD1 3.79Å; Y44-Y115 HydrophobicContact CE2-CD1 3.79Å; Y44-Y115 AromaticContact CE2-CD2 3.32Å; Y44-Y115 HydrophobicContact CE2-CD2 3.32Å; Y44-Y115 HydrophobicContact CE2-CE1 4.4Å; Y44-Y115 AromaticContact CE2-CE2 4Å; Y44-Y115 HydrophobicContact CE2-CE2 4Å; Y44-Y115 AromaticContact CE2-CG 3.19Å; Y44-Y115 HydrophobicContact CE2-CG 3.19Å; Y44-Y115 HydrophobicContact CG-CD2 4.5Å; Y44-Y115 AromaticContact CZ-CG 3.79Å; I45-Y115 WeakPolarHBondContact O-CA 3.45Å; Y104-Y115 HydrophobicContact CD1-CD2 4.4Å; Y104-Y115 AromaticContact CD1-CE2 3.66Å; Y104-Y115 HydrophobicContact CD1-CE2 3.66Å; Y104-Y115 AromaticContact CE1-CE2 3.73Å; Y104-Y115 HydrophobicContact CE1-CE2 3.73Å; Y104-Y115 AromaticContact CE1-CZ 3.69Å; Y104-Y115 WeakPolarHBondContact CE1-OH 3.39Å; G106-Y115 WeakPolarHBondContact CA-O 3.48Å; G106-Y115 PolarHBondContact N-O 2.89Å; Q113-Y115 WeakPolarHBondContact O-CD1 3.33Å; Q113-Y115 PolarHBondContact O-N 2.87Å; Y115-I117 HydrophobicContact CD2-CG1 4.17Å; Y115-I117 HydrophobicContact CE2-CD1 4.07Å; Y115-I117 HydrophobicContact CE2-CG1 4.04Å
116	K	89.6	Confident	68.1	Low	16 Å²	16	73.7 Å²	73.7	7%	0.07	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.7	176.2	-70.4	179.9	179.8	-87.5	0	110.5	Y44 I45 W47 L102 Y104 D105 Y118	Y44-K116 CarbonylContact C-O 3.58Å; Y44-K116 WeakPolarHBondContact CA-O 3.22Å; I45-K116 PolarHBondContact N-O 2.88Å; I45-K116 PolarHBondContact O-N 2.84Å; W47-K116 HydrophobicContact CB-CG 4.36Å; W47-K116 HydrophobicContact CD2-CD 3.69Å; W47-K116 HydrophobicContact CD2-CG 4.33Å; W47-K116 HydrophobicContact CE3-CD 3.9Å; W47-K116 HydrophobicContact CG-CD 3.99Å; W47-K116 HydrophobicContact CG-CG 4.25Å; W47-K116 HydrophobicContact CZ2-CD 4.45Å; W47-K116 HydrophobicContact CZ3-CD 4.35Å; L102-K116 HydrophobicContact CD1-CB 3.86Å; L102-K116 HydrophobicContact CD1-CD 4.14Å; L102-K116 HydrophobicContact CD1-CG 4.1Å; Y104-K116 VanDerWaalsContact O-CA 3.31Å; Y104-K116 WeakPolarHBondContact O-CA 3.32Å; D105-K116 WeakPolarHBondContact OD1-CE 3.38Å; D105-K116 WeakPolarHBondContact OD1-CG 3.34Å; D105-K116 IonicContact OD1-NZ 3.32Å; D105-K116 PolarHBondContact OD1-NZ 2.81Å; D105-K116 IonicContact OD2-NZ 2.75Å; D105-K116 PolarHBondContact OD2-NZ 2.79Å; K116-Y118 HydrophobicContact CB-CD2 4.06Å; K116-Y118 HydrophobicContact CB-CE2 3.54Å; K116-Y118 HydrophobicContact CD-CE2 3.95Å; K116-Y118 HydrophobicContact CG-CE2 4.38Å
117	I	89.7	Confident	66.3	Low	27 Å²	27	79.6 Å²	79.6	14%	0.138	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.2	172.4	-55.8	177.5	0	0	0	108.7	V36 L42 F43 I103 Y104 Y115	V36-I117 HydrophobicContact CG2-CD1 4.36Å; V36-I117 HydrophobicContact CG2-CG1 4.4Å; V36-I117 HydrophobicContact CG2-CG2 4.35Å; L42-I117 HydrophobicContact CB-CG2 4.29Å; F43-I117 CarbonylContact O-C 3.49Å; F43-I117 WeakPolarHBondContact O-CA 3.01Å; I103-I117 PolarHBondContact N-O 2.97Å; Y104-I117 HydrophobicContact CD1-CD1 4.47Å; Y104-I117 PolarHBondContact N-O 2.83Å; Y104-I117 PolarHBondContact O-N 2.69Å; Y115-I117 HydrophobicContact CD2-CG1 4.17Å; Y115-I117 HydrophobicContact CE2-CD1 4.07Å; Y115-I117 HydrophobicContact CE2-CG1 4.04Å
118	Y	91.7	Very high	64.9	Low	3 Å²	3	83 Å²	83	1%	0.012	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.2	178.3	-72.6	-91.9	0	0	0	110.8	L42 F43 I45 L94 F100 R101 L102 K116	L42-Y118 CarbonylContact C-O 3.56Å; L42-Y118 WeakPolarHBondContact CA-O 3.45Å; F43-Y118 VanDerWaalsContact CD1-O 3.29Å; F43-Y118 WeakPolarHBondContact CD1-O 3.32Å; F43-Y118 HydrophobicContact CZ-CG 4.37Å; F43-Y118 PolarHBondContact N-O 3.48Å; F43-Y118 PolarHBondContact O-N 2.91Å; I45-Y118 HydrophobicContact CD1-CD2 3.71Å; I45-Y118 HydrophobicContact CD1-CE2 3.78Å; I45-Y118 HydrophobicContact CG1-CD2 4.12Å; I45-Y118 HydrophobicContact CG1-CE2 4.44Å; L94-Y118 HydrophobicContact CB-CE1 4.13Å; L94-Y118 HydrophobicContact CD1-CE1 4.39Å; L94-Y118 HydrophobicContact CD1-CE2 4.06Å; L94-Y118 HydrophobicContact CD2-CD1 4.32Å; L94-Y118 HydrophobicContact CD2-CE1 4.28Å; F100-Y118 HydrophobicContact CB-CD1 4.36Å; R101-Y118 CarbonylContact O-C 3.58Å; R101-Y118 WeakPolarHBondContact O-CA 3.5Å; L102-Y118 HydrophobicContact CB-CD1 4.1Å; L102-Y118 HydrophobicContact CB-CE1 3.82Å; L102-Y118 HydrophobicContact CD1-CD1 4.26Å; L102-Y118 HydrophobicContact CD1-CD2 4.28Å; L102-Y118 HydrophobicContact CD1-CE1 3.92Å; L102-Y118 HydrophobicContact CD1-CE2 3.94Å; L102-Y118 HydrophobicContact CD1-CG 4.44Å; L102-Y118 HydrophobicContact CG-CE1 4.41Å; K116-Y118 HydrophobicContact CB-CD2 4.06Å; K116-Y118 HydrophobicContact CB-CE2 3.54Å; K116-Y118 HydrophobicContact CD-CE2 3.95Å; K116-Y118 HydrophobicContact CG-CE2 4.38Å
119	E	92.9	Very high	63.5	Low	27 Å²	27	83.4 Å²	83.4	13%	0.126	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.4	172.5	-172.4	177.4	-131.1	0	0	110.3	K41 L42 F100 R101 I103	K41-E119 WeakPolarHBondContact O-CA 3.33Å; L42-E119 HydrophobicContact CD2-CB 3.5Å; L42-E119 VanDerWaalsContact CD2-CB 3.5Å; L42-E119 HydrophobicContact CD2-CG 3.69Å; F100-E119 WeakPolarHBondContact CA-O 3.36Å; R101-E119 HydrophobicContact CB-CB 4.37Å; R101-E119 IonicContact CZ-OE2 3.57Å; R101-E119 PolarHBondContact N-O 3.13Å; R101-E119 IonicContact NE-OE2 2.87Å; R101-E119 PolarHBondContact NE-OE2 2.9Å; R101-E119 IonicContact NH2-OE1 2.91Å; R101-E119 IonicContact NH2-OE2 2.68Å; R101-E119 PolarHBondContact NH2-OE2 3.17Å; R101-E119 PolarHBondContact O-N 3.07Å; I103-E119 HydrophobicContact CD1-CB 4.01Å; I103-E119 HydrophobicContact CG1-CB 3.79Å
120	V	91.9	Very high	62.9	Low	11 Å²	11	82.4 Å²	82.4	7%	0.067	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	105	173.8	-169.7	0	0	0	0	110.6	K18 V22 W35 K41 F43 D99 F100	K18-V120 HydrophobicContact CD-CG1 4.49Å; K18-V120 VanDerWaalsContact CE-CG1 3.5Å; K18-V120 HydrophobicContact CG-CG1 4.26Å; V22-V120 HydrophobicContact CG2-CG1 4.16Å; V22-V120 HydrophobicContact CG2-CG2 3.98Å; W35-V120 HydrophobicContact CH2-CG2 4.03Å; W35-V120 HydrophobicContact CZ3-CG2 4.14Å; K41-V120 HydrophobicContact CB-CB 3.85Å; K41-V120 HydrophobicContact CB-CG2 4.19Å; K41-V120 HydrophobicContact CD-CB 4.24Å; K41-V120 PolarHBondContact O-N 3.1Å; F43-V120 HydrophobicContact CD1-CG2 3.97Å; F43-V120 HydrophobicContact CE1-CG2 3.75Å; D99-V120 CarbonylContact O-C 3.59Å; D99-V120 WeakPolarHBondContact O-CA 3.42Å; F100-V120 HydrophobicContact CD1-CG2 4.23Å; F100-V120 HydrophobicContact CE1-CG2 3.9Å
121	C	87.4	Confident	62.2	Low	28 Å²	28	84 Å²	84	19%	0.189	50%	0.503	C	S	.	.			trans	-60	135.3	178	-60.3	0	0	0	0	111.1	K18 D99	K18-C121 WeakPolarHBondContact CE-O 3.31Å; K18-C121 PolarHBondContact NZ-O 3.43Å; D99-C121 PolarHBondContact O-N 3.23Å
122	S	72.9	Confident	61.2	Low	82 Å²	82	83.9 Å²	83.9	57%	0.573	50%	0.503	S	S	*	.			trans	-109.3	88	178	-59.5	0	0	0	0	109.8	K41 G124	K41-S122 PolarHBondContact NZ-OG 3.44Å; S122-G124 PolarHBondContact O-N 3.18Å
123	N	53.1	Low	60.5	Low	116 Å²	116	86.1 Å²	86.1	62%	0.62	52%	0.515	S	S	*	.			trans	-73.2	109.1	177.3	-61.2	4	0	0	0	109.1
124	G	43.9	Very low	59.2	Low	61 Å²	61	89 Å²	89	63%	0.629	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-80.2	161.3	162.4	0	0	0	0	0	111	S122	S122-G124 PolarHBondContact O-N 3.18Å
125	P	42.8	Very low	57.6	Low	136 Å²	136	95.2 Å²	95.2	88%	0.883	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-69.3	133.6	179.8	29.3	-33.9	0	0	0	111.3
126	A	32.8	Very low	55.2	Low	92 Å²	92	101 Å²	101	76%	0.76	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-77.2	150.9	170.5	0	0	0	0	0	110.7
127	P	36	Very low	52.5	Low	126 Å²	126	105.4 Å²	105.4	82%	0.818	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-72.9	143.3	179.8	29.9	-34.1	0	0	0	112.4
128	T	40.5	Very low	49.8	Very low	138 Å²	138	109.6 Å²	109.6	85%	0.847	65%	0.645	S	S	*	*			trans	-45.9	123.9	174.2	34.2	0	0	0	0	115.6
129	E	33.3	Very low	47.2	Very low	199 Å²	199	111 Å²	111	93%	0.93	66%	0.661	S	S	*	*			trans	-119	148.7	131.6	-84.6	-170.6	157.2	0	0	108.8
130	S	38.4	Very low	44.6	Very low	113 Å²	113	115 Å²	115	79%	0.79	68%	0.68	S	S	*	*			trans	-111.8	122	-159.4	54.2	0	0	0	0	113
131	Q	33.3	Very low	41.9	Very low	193 Å²	193	120.1 Å²	120.1	90%	0.902	70%	0.703	S	S	*	*			trans	-163.7	171.7	142.8	-109.6	-174.8	-21.1	0	0	110.6
132	P	38	Very low	39.5	Very low	114 Å²	114	124.9 Å²	124.9	74%	0.74	72%	0.722	S	S	*	*				-95.4	176	-129.5	38.4	-34.9	0	0	0	114.9	D134	P132-D134 PolarHBondContact O-N 3.06Å
133	T	42.4	Very low	37.9	Very low	134 Å²	134	125.3 Å²	125.3	82%	0.822	72%	0.715	S	S	*	*			trans	-58.1	122.3	177.6	49.3	0	0	0	0	113.4
134	D	33.3	Very low	37.6	Very low	159 Å²	159	125.9 Å²	125.9	85%	0.85	71%	0.714	S	S	*	*			trans	-136.8	140.2	143.6	-97.9	-38.4	0	0	0	109.2	P132 Y136	P132-D134 PolarHBondContact O-N 3.06Å; D134-Y136 PolarHBondContact O-N 3.44Å
135	D	41.2	Very low	37.7	Very low	158 Å²	158	125.1 Å²	125.1	85%	0.845	69%	0.694	S	S	*	*			trans	-83.5	96.2	-175.3	-170.2	29.3	0	0	0	109.6
136	Y	34.4	Very low	37.9	Very low	188 Å²	188	123.5 Å²	123.5	74%	0.737	68%	0.675	S	S	*	*			trans	-128.6	131.6	176.3	-129	-97.8	0	0	0	110.8	D134 P138	D134-Y136 PolarHBondContact O-N 3.44Å; Y136-P138 VanDerWaalsContact O-CD 3.24Å; Y136-P138 WeakPolarHBondContact O-CD 3.27Å
137	T	31.6	Very low	38.8	Very low	108 Å²	108	124.8 Å²	124.8	66%	0.663	67%	0.665	S	S	*	*			trans	-98.8	98.5	-175.2	-59.5	0	0	0	0	110.1	G139	T137-G139 PolarHBondContact O-N 3.16Å
138	P	33.6	Very low	39.5	Very low	115 Å²	115	119.4 Å²	119.4	75%	0.747	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	89.3	-168.7	20.8	-0.3	0	0	0	109.4	Y136	Y136-P138 VanDerWaalsContact O-CD 3.24Å; Y136-P138 WeakPolarHBondContact O-CD 3.27Å
139	G	38	Very low	40.1	Very low	33 Å²	33	113.7 Å²	113.7	34%	0.34	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-176.9	-10.9	179.8	0	0	0	0	0	117.4	T137	T137-G139 PolarHBondContact O-N 3.16Å
140	E	37.9	Very low	41.1	Very low	112 Å²	112	109.5 Å²	109.5	52%	0.523	57%	0.574	S	S	.	*	S	Bend	trans	-93.3	-29.2	173.8	-64.1	-178.4	176.7	0	0	110.9	R14	R14-E140 IonicContact CZ-OE1 3.99Å; R14-E140 IonicContact NH1-OE1 2.73Å; R14-E140 PolarHBondContact NH1-OE1 3.32Å; R14-E140 IonicContact NH2-OE1 2.64Å; R14-E140 PolarHBondContact NH2-OE1 3.12Å
141	E	35	Very low	42.1	Very low	117 Å²	117	112.1 Å²	112.1	55%	0.547	57%	0.566	S	S	.	*	H	α-helix	trans	-72.1	-45.2	179	-61.3	-177.4	163.7	0	0	114.1	E143 E144 E145	E141-E143 PolarHBondContact O-N 3.24Å; E141-E144 PolarHBondContact O-N 2.87Å; E141-E145 WeakPolarHBondContact O-CB 3.47Å; E141-E145 WeakPolarHBondContact O-CG 3.45Å; E141-E145 PolarHBondContact O-N 3.1Å
142	E	37.8	Very low	43	Very low	128 Å²	128	105.2 Å²	105.2	60%	0.598	53%	0.534	S	S	*	.	H	α-helix	trans	-61.2	-31	-178.9	-66.5	-173.2	166.2	0	0	112.4	E146	E142-E146 WeakPolarHBondContact O-CG 3.39Å; E142-E146 PolarHBondContact O-N 2.86Å
143	E	38.8	Very low	43.8	Very low	91 Å²	91	102.3 Å²	102.3	43%	0.425	51%	0.513	S	S	.	.	H	α-helix	trans	-74.3	-42.9	-178.2	-61.5	-159.4	155.5	0	0	112.9	K96 E141 E145 E146 E147	K96-E143 VanDerWaalsContact CD-OE1 3.22Å; K96-E143 WeakPolarHBondContact CD-OE1 3.44Å; K96-E143 IonicContact NZ-OE1 3.92Å; K96-E143 PolarHBondContact NZ-OE1 2.85Å; K96-E143 IonicContact NZ-OE2 3.26Å; K96-E143 PolarHBondContact NZ-OE2 2.88Å; E141-E143 PolarHBondContact O-N 3.24Å; E143-E145 VanDerWaalsContact C-N 3.3Å; E143-E146 PolarHBondContact O-N 2.86Å; E143-E147 PolarHBondContact O-N 2.82Å
144	E	45.7	Very low	43.9	Very low	129 Å²	129	101.4 Å²	101.4	60%	0.603	51%	0.509	S	S	*	.	H	α-helix	trans	-63.7	-41.9	175.4	-67.6	-166.4	154.3	0	0	110.5	E141 E146 E147 E148	E141-E144 PolarHBondContact O-N 2.87Å; E144-E146 VanDerWaalsContact C-N 3.32Å; E144-E146 PolarHBondContact O-N 2.97Å; E144-E147 PolarHBondContact O-N 2.83Å; E144-E148 WeakPolarHBondContact O-CB 3.42Å; E144-E148 PolarHBondContact O-N 2.99Å
145	E	46.6	Very low	44.4	Very low	45 Å²	45	97.2 Å²	97.2	21%	0.21	50%	0.503	C	S	.	.	H	α-helix	trans	-60.7	-36.6	179.6	-75.3	-174.2	179	0	0	113.7	E141 E143 E148 L149 R256 K410	E141-E145 WeakPolarHBondContact O-CB 3.47Å; E141-E145 WeakPolarHBondContact O-CG 3.45Å; E141-E145 PolarHBondContact O-N 3.1Å; E143-E145 VanDerWaalsContact C-N 3.3Å; E145-E148 PolarHBondContact O-N 3.31Å; E145-L149 WeakPolarHBondContact O-CG 3.45Å; E145-L149 PolarHBondContact O-N 2.85Å; E145-R256 VanDerWaalsContact CB-NH2 3.27Å; E145-R256 IonicContact OE1-NH2 2.75Å; E145-R256 IonicContact OE2-CZ 3.64Å; E145-R256 IonicContact OE2-NH2 3.28Å; E145-R256 PolarHBondContact OE2-NH2 2.91Å; E145-K410 HydrophobicContact CG-CD 4.23Å; E145-K410 WeakPolarHBondContact OE1-CE 3.49Å; E145-K410 IonicContact OE1-NZ 2.69Å; E145-K410 PolarHBondContact OE1-NZ 3.42Å
146	E	47.4	Very low	44.5	Very low	102 Å²	102	95.6 Å²	95.6	48%	0.477	49%	0.494	S	S	.	.	H	α-helix	trans	-68.1	-40.2	177.4	-82.1	-129.9	96.9	0	0	113.6	E142 E143 E144 K308	E142-E146 WeakPolarHBondContact O-CG 3.39Å; E142-E146 PolarHBondContact O-N 2.86Å; E143-E146 PolarHBondContact O-N 2.86Å; E144-E146 VanDerWaalsContact C-N 3.32Å; E144-E146 PolarHBondContact O-N 2.97Å; E146-K308 PolarHBondContact O-NZ 2.85Å; E146-K308 WeakPolarHBondContact OE1-CD 3.47Å; E146-K308 IonicContact OE1-NZ 2.72Å; E146-K308 PolarHBondContact OE1-NZ 2.94Å
147	E	52.4	Low	44.5	Very low	118 Å²	118	91 Å²	91	55%	0.551	49%	0.489	S	S	*	.	H	α-helix	trans	-79.1	-25.4	176.3	-66.1	-169	172.8	0	0	111.8	E143 E144 R151	E143-E147 PolarHBondContact O-N 2.82Å; E144-E147 PolarHBondContact O-N 2.83Å; E147-R151 WeakPolarHBondContact O-CG 3.35Å; E147-R151 PolarHBondContact O-N 3.35Å; E147-R151 PolarHBondContact O-NE 2.97Å; E147-R151 VanDerWaalsContact O-NE 3.09Å
148	E	50.2	Low	45	Very low	14 Å²	14	94 Å²	94	7%	0.065	50%	0.499	C	S	.	.	H	α-helix	trans	-68.9	-50.1	174.6	-167.1	-169.3	145.8	0	0	111.6	E144 E145 Q150 R151 M152 K406 K410	E144-E148 WeakPolarHBondContact O-CB 3.42Å; E144-E148 PolarHBondContact O-N 2.99Å; E145-E148 PolarHBondContact O-N 3.31Å; E148-Q150 PolarHBondContact O-N 3.35Å; E148-R151 PolarHBondContact O-N 2.76Å; E148-M152 HydrophobicContact CG-SD 4.01Å; E148-M152 WeakPolarHBondContact O-CG 3.36Å; E148-M152 PolarHBondContact O-N 3.42Å; E148-M152 VanDerWaalsContact O-N 3.09Å; E148-K406 VanDerWaalsContact CD-CE 3.41Å; E148-K406 VanDerWaalsContact CD-NZ 3.26Å; E148-K406 WeakPolarHBondContact OE1-CD 3.31Å; E148-K406 WeakPolarHBondContact OE1-CE 3.35Å; E148-K406 IonicContact OE1-NZ 2.65Å; E148-K406 PolarHBondContact OE1-NZ 3.11Å; E148-K410 IonicContact OE2-NZ 2.97Å
149	L	53.2	Low	45.1	Very low	17 Å²	17	93.9 Å²	93.9	9%	0.089	50%	0.497	C	S	.	.	H	α-helix	trans	-58.2	-33.3	176.8	-75.2	170.6	0	0	0	112.8	E145 Y312 L412	E145-L149 WeakPolarHBondContact O-CG 3.45Å; E145-L149 PolarHBondContact O-N 2.85Å; L149-Y312 HydrophobicContact CB-CE2 4.24Å; L149-L412 HydrophobicContact CD2-CD1 4.19Å; L149-L412 HydrophobicContact CD2-CD2 3.8Å; L149-L412 HydrophobicContact CD2-CG 4.07Å
150	Q	54.2	Low	44.7	Very low	112 Å²	112	101.1 Å²	101.1	52%	0.523	52%	0.522	S	S	.	.	H	α-helix	trans	-75.4	-31.1	176.1	-72.2	177.1	-11.4	0	0	112.9	E148	E148-Q150 PolarHBondContact O-N 3.35Å
151	R	58.7	Low	44.7	Very low	168 Å²	168	101.4 Å²	101.4	63%	0.634	53%	0.533	S	S	*	.	H	α-helix	trans	-75.7	-25.9	176.2	-77.8	179.6	-70.7	168.6	-3.6	113.5	E147 E148	E147-R151 WeakPolarHBondContact O-CG 3.35Å; E147-R151 PolarHBondContact O-N 3.35Å; E147-R151 PolarHBondContact O-NE 2.97Å; E147-R151 VanDerWaalsContact O-NE 3.09Å; E148-R151 PolarHBondContact O-N 2.76Å
152	M	52.6	Low	44.6	Very low	47 Å²	47	102.5 Å²	102.5	23%	0.232	55%	0.548	C	S	.	.	S	Bend	trans	-80.5	-14	-175.4	-68.8	177.2	78.2	0	0	114.4	E148 E400 K406	E148-M152 HydrophobicContact CG-SD 4.01Å; E148-M152 WeakPolarHBondContact O-CG 3.36Å; E148-M152 PolarHBondContact O-N 3.42Å; E148-M152 VanDerWaalsContact O-N 3.09Å; M152-E400 HydrophobicContact CE-CB 3.81Å; M152-E400 HydrophobicContact CE-CG 3.73Å; M152-E400 WeakPolarHBondContact CE-OE1 3.22Å; M152-K406 PolarHBondContact SD-NZ 2.76Å
153	L	55.6	Low	44.7	Very low	54 Å²	54	104 Å²	104	28%	0.283	56%	0.559	S	S	.	*			trans	-131.8	65.9	175.2	-69.6	171.4	0	0	0	111.5	G155 Y312	L153-G155 PolarHBondContact O-N 2.87Å; L153-G155 VanDerWaalsContact O-N 3.11Å; L153-Y312 HydrophobicContact CB-CE1 4.48Å; L153-Y312 HydrophobicContact CD1-CD1 3.47Å; L153-Y312 VanDerWaalsContact CD1-CD1 3.47Å; L153-Y312 HydrophobicContact CD1-CE1 4.08Å; L153-Y312 HydrophobicContact CD1-CG 4.1Å
154	P	44.6	Very low	44.6	Very low	115 Å²	115	105.5 Å²	105.5	75%	0.747	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-5.8	-171.5	30.7	-36.8	0	0	0	114.8
155	G	41.9	Very low	44.3	Very low	70 Å²	70	102.4 Å²	102.4	72%	0.722	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-1.2	-170.9	0	0	0	0	0	116.7	L153	L153-G155 PolarHBondContact O-N 2.87Å; L153-G155 VanDerWaalsContact O-N 3.11Å
156	L	43.8	Very low	44.1	Very low	124 Å²	124	106 Å²	106	65%	0.649	61%	0.606	S	S	*	*			trans	-130.9	67.6	-172.8	-64.5	176.2	0	0	0	112.5
157	S	34.1	Very low	43.6	Very low	92 Å²	92	107.3 Å²	107.3	64%	0.643	62%	0.624	S	S	*	*			trans	-97	118.1	164.1	-171.7	0	0	0	0	110	T159	S157-T159 PolarHBondContact O-N 3.21Å; S157-T159 PolarHBondContact OG-OG1 3.27Å
158	I	42.6	Very low	42.8	Very low	170 Å²	170	109.8 Å²	109.8	87%	0.872	64%	0.639	S	S	*	*	S	Bend	trans	-77.8	69.2	173.2	-55.3	171.7	0	0	0	109.2
159	T	35.9	Very low	42.1	Very low	113 Å²	113	112.9 Å²	112.9	69%	0.693	67%	0.667	S	S	*	*			trans	-158.9	70.7	166.1	52.6	0	0	0	0	110.9	S157	S157-T159 PolarHBondContact O-N 3.21Å; S157-T159 PolarHBondContact OG-OG1 3.27Å
160	E	30.2	Very low	41.5	Very low	186 Å²	186	117.5 Å²	117.5	87%	0.869	70%	0.698	S	S	*	*			trans	-103.1	128.1	151.2	-80.1	-156.1	134.4	0	0	109.1	V162	E160-V162 PolarHBondContact O-N 3.22Å
161	P	37.1	Very low	40.4	Very low	118 Å²	118	122.6 Å²	122.6	77%	0.766	71%	0.714	S	S	*	*			trans	-75.5	119.4	171.4	30.5	-31.2	0	0	0	109.5	L163	P161-L163 PolarHBondContact O-N 3.14Å; P161-L163 VanDerWaalsContact O-N 3.11Å
162	V	33.8	Very low	39.1	Very low	140 Å²	140	119.5 Å²	119.5	85%	0.848	72%	0.718	S	S	*	*			trans	-59.2	114.9	172.5	176	0	0	0	0	109.8	E160	E160-V162 PolarHBondContact O-N 3.22Å
163	L	39.1	Very low	38	Very low	159 Å²	159	124.3 Å²	124.3	83%	0.832	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-81.3	127.5	166.7	-85	163.1	0	0	0	109.5	P161 G165	P161-L163 PolarHBondContact O-N 3.14Å; P161-L163 VanDerWaalsContact O-N 3.11Å; L163-G165 PolarHBondContact O-N 2.8Å
164	P	36.9	Very low	36.8	Very low	122 Å²	122	127.6 Å²	127.6	79%	0.792	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-75.2	117.5	178.8	28.8	-32.9	0	0	0	111.5
165	G	40.2	Very low	36.1	Very low	64 Å²	64	130.8 Å²	130.8	66%	0.66	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-84.4	162.6	170	0	0	0	0	0	113.4	L163	L163-G165 PolarHBondContact O-N 2.8Å
166	P	42.2	Very low	35.5	Very low	121 Å²	121	137.2 Å²	137.2	79%	0.786	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-75.8	162.8	-173.1	-8.6	25.7	0	0	0	113.6
167	P	37.3	Very low	34.8	Very low	130 Å²	130	134.6 Å²	134.6	84%	0.844	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-72.5	142.6	-172.1	29.7	-35.6	0	0	0	113.7
168	I	35.8	Very low	34.5	Very low	170 Å²	170	137.7 Å²	137.7	87%	0.872	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-79.1	127.2	176.8	-60.5	172.9	0	0	0	109.9
169	A	34.7	Very low	33.7	Very low	78 Å²	78	138.5 Å²	138.5	65%	0.645	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-96.9	144.7	166.9	0	0	0	0	0	110.8
170	P	41.1	Very low	33.3	Very low	114 Å²	114	145.4 Å²	145.4	74%	0.74	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-89.8	126.7	-168.8	33.5	-34.3	0	0	0	113.9
171	Y	29.4	Very low	33.1	Very low	219 Å²	219	141.3 Å²	141.3	86%	0.859	80%	0.802	S	S	*	*			trans	-138.1	115.2	161.2	-84.2	-93.5	0	0	0	107.9
172	S	31.7	Very low	33.2	Very low	103 Å²	103	141.4 Å²	141.4	72%	0.72	80%	0.802	S	S	*	*				83	99.5	71.6	-68.4	0	0	0	0	112.4
173	L	29.6	Very low	32.9	Very low	149 Å²	149	139.1 Å²	139.1	78%	0.78	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-72.1	125.8	-176.9	-178.8	81.9	0	0	0	112.7	K175	L173-K175 HydrophobicContact CD2-CG 4.27Å
174	P	30.9	Very low	32.4	Very low	123 Å²	123	139.8 Å²	139.8	80%	0.799	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-76.2	123.5	162.2	-14.1	30.8	0	0	0	110.9
175	K	30.8	Very low	32	Very low	181 Å²	181	142.3 Å²	142.3	79%	0.787	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-98.2	117.9	167.1	-79.4	-179.5	174.6	178.4	0	109.4	L173	L173-K175 HydrophobicContact CD2-CG 4.27Å
176	E	28.2	Very low	31.3	Very low	206 Å²	206	144.2 Å²	144.2	96%	0.963	81%	0.806	S	S	*	*			trans	-174.3	140.7	155.5	-105.7	158	-156	0	0	106.6
177	G	30.4	Very low	30.5	Very low	69 Å²	69	143.6 Å²	143.6	71%	0.711	81%	0.805	S	S	*	*			cis	155	24.8	4.9	0	0	0	0	0	113
178	V	27.7	Very low	30.1	Very low	156 Å²	156	144.6 Å²	144.6	95%	0.945	81%	0.808	S	S	*	*			trans	-94	124.4	-174.1	-175.8	0	0	0	0	110.6
179	K	25.7	Very low	29.7	Very low	187 Å²	187	139.3 Å²	139.3	81%	0.813	80%	0.796	S	S	*	*			trans	-115.4	120.1	-163.7	-171	-177.7	-174.2	-177.9	0	109.6
180	W	26.8	Very low	29.4	Very low	259 Å²	259	144.8 Å²	144.8	98%	0.981	81%	0.813	S	S	*	*			trans	-68.9	141.1	169.4	-116.4	-47.4	0	0	0	110.4
181	S	26.8	Very low	28.6	Very low	100 Å²	100	142.6 Å²	142.6	70%	0.699	81%	0.811	S	S	*	*			trans	-153.3	156.9	159.5	-85.1	0	0	0	0	110.8
182	P	38	Very low	29.5	Very low	119 Å²	119	138.2 Å²	138.2	77%	0.773	81%	0.81	S	S	*	*			trans	-125.3	176.6	-158.7	40.3	-24.8	0	0	0	116.3
183	A	28.3	Very low	29.7	Very low	93 Å²	93	139.1 Å²	139.1	77%	0.769	81%	0.814	S	S	*	*			trans	72.3	132.5	153	0	0	0	0	0	121
184	L	28.8	Very low	29.9	Very low	173 Å²	173	136.3 Å²	136.3	91%	0.906	81%	0.811	S	S	*	*			trans	-156.7	142.7	143.6	-111.3	174.4	0	0	0	112.4
185	Q	26.7	Very low	30.2	Very low	174 Å²	174	136.4 Å²	136.4	81%	0.813	81%	0.812	S	S	*	*			trans	-154.9	160.8	-170.5	-78.9	-178.5	-19.1	0	0	109.6
186	S	26.4	Very low	30.2	Very low	104 Å²	104	135 Å²	135	73%	0.727	81%	0.813	S	S	*	*			cis	-172.9	140.8	-20.5	53.1	0	0	0	0	110
187	S	25.4	Very low	30.9	Very low	109 Å²	109	130.2 Å²	130.2	76%	0.762	80%	0.8	S	S	*	*			trans	-153.1	115.1	171.8	54.9	0	0	0	0	110.9
188	V	29.9	Very low	30.8	Very low	150 Å²	150	133.6 Å²	133.6	91%	0.909	80%	0.802	S	S	*	*				59.3	124.5	83.5	-178.8	0	0	0	0	111.8
189	G	26.2	Very low	30.9	Very low	60 Å²	60	132.7 Å²	132.7	62%	0.619	79%	0.79	S	S	*	*			cis	154.1	157.3	-1.5	0	0	0	0	0	110.5
190	L	28.9	Very low	31.1	Very low	192 Å²	192	131.3 Å²	131.3	100%	1.005	79%	0.791	S	S	*	*			trans	168.3	152.7	155.8	-94	160.9	0	0	0	110.3
191	G	23.6	Very low	31	Very low	68 Å²	68	123.5 Å²	123.5	70%	0.701	78%	0.781	S	S	*	*			trans	-118.8	-129.6	-164.7	0	0	0	0	0	117.9
192	P	48	Very low	31.2	Very low	127 Å²	127	127.8 Å²	127.8	83%	0.825	79%	0.79	S	S	*	*				-94.5	-171	-127.8	42.9	-40.2	0	0	0	113.7
193	P	37.6	Very low	31.4	Very low	123 Å²	123	127.9 Å²	127.9	80%	0.799	79%	0.791	S	S	*	*			cis	-147.2	-166.7	20.3	43.9	-21	0	0	0	118.2
194	A	32.2	Very low	31.5	Very low	89 Å²	89	129.3 Å²	129.3	74%	0.736	80%	0.795	S	S	*	*			trans	-86	165.2	166.6	0	0	0	0	0	111.8
195	P	37.5	Very low	31.3	Very low	126 Å²	126	124.6 Å²	124.6	82%	0.818	79%	0.789	S	S	*	*				-151.6	-179.6	75.5	40.1	-19.4	0	0	0	117.6
196	D	31.2	Very low	31.4	Very low	151 Å²	151	124 Å²	124	81%	0.807	79%	0.791	S	S	*	*			trans	-61.1	-180	162.1	-74.1	-61.3	0	0	0	113.4
197	P	42.2	Very low	32.4	Very low	105 Å²	105	123.9 Å²	123.9	68%	0.682	79%	0.788	S	S	*	*			cis	-149.9	177.4	17.1	43.8	-22.4	0	0	0	120.5
198	N	28.8	Very low	32.5	Very low	141 Å²	141	123.8 Å²	123.8	75%	0.754	79%	0.793	S	S	*	*			trans	79.3	147.9	134.8	-102	-21.9	0	0	0	125.9
199	I	29.4	Very low	32.3	Very low	137 Å²	137	119.8 Å²	119.8	70%	0.703	78%	0.783	S	S	*	*			trans	77.2	133.4	144.9	-75.1	166.3	0	0	0	116.8
200	L	29.8	Very low	32.4	Very low	158 Å²	158	127.9 Å²	127.9	83%	0.827	80%	0.801	S	S	*	*			cis	-158.1	155.3	15.7	-158.9	161.9	0	0	0	113.1
201	A	26.4	Very low	32.2	Very low	94 Å²	94	122.3 Å²	122.3	78%	0.777	79%	0.791	S	S	*	*			trans	141.2	98.4	133	0	0	0	0	0	116.5
202	H	30.4	Very low	32.9	Very low	190 Å²	190	128.3 Å²	128.3	88%	0.88	80%	0.8	S	S	*	*			trans	-93.3	164	155.9	-94.8	-71.5	0	0	0	109.1
203	P	41.3	Very low	31.9	Very low	121 Å²	121	130.5 Å²	130.5	79%	0.786	80%	0.803	S	S	*	*				-148.1	-177.8	77	44.5	-25.4	0	0	0	113.2
204	S	30	Very low	31.6	Very low	124 Å²	124	132.1 Å²	132.1	87%	0.867	80%	0.804	S	S	*	*			cis	-157.5	166	4	-154.7	0	0	0	0	110.4
205	G	25.1	Very low	32	Very low	74 Å²	74	133.5 Å²	133.5	76%	0.763	81%	0.806	S	S	*	*			trans	123.1	98.5	152.6	0	0	0	0	0	117.7
206	N	28.4	Very low	31.9	Very low	161 Å²	161	135.7 Å²	135.7	86%	0.861	81%	0.805	S	S	*	*			trans	-152.9	177.8	169.2	-140.2	6.8	0	0	0	105.9
207	P	47.2	Very low	31.8	Very low	102 Å²	102	136.7 Å²	136.7	66%	0.662	81%	0.81	S	S	*	*			cis	-139.4	-179.8	-8.7	42	-24.3	0	0	0	116
208	A	28.8	Very low	31.3	Very low	106 Å²	106	139 Å²	139	88%	0.876	82%	0.816	S	S	*	*			trans	59.2	156.2	150.2	0	0	0	0	0	120.4
209	G	25.2	Very low	31.4	Very low	67 Å²	67	140.6 Å²	140.6	69%	0.691	82%	0.819	S	S	*	*			cis	167.7	168.9	-6.1	0	0	0	0	0	111.8
210	F	27.8	Very low	32.3	Very low	229 Å²	229	139.4 Å²	139.4	100%	1.004	82%	0.82	S	S	*	*			trans	65.7	146.5	170	-93.4	-95.9	0	0	0	120.9
211	G	25.8	Very low	32.2	Very low	76 Å²	76	135.1 Å²	135.1	78%	0.784	81%	0.814	S	S	*	*			trans	145	116.1	156.4	0	0	0	0	0	117.1
212	Q	37.4	Very low	32.6	Very low	194 Å²	194	136.9 Å²	136.9	91%	0.907	82%	0.818	S	S	*	*			trans	-87.7	151.6	169.5	-59.9	160.6	-51.2	0	0	111.4
213	I	27.8	Very low	33	Very low	172 Å²	172	136.7 Å²	136.7	88%	0.882	82%	0.822	S	S	*	*			trans	-144.7	130.9	152.2	-62	-172.9	0	0	0	110.4
214	L	31.5	Very low	32.6	Very low	157 Å²	157	135 Å²	135	82%	0.822	82%	0.819	S	S	*	*			trans	-99.6	156.8	161	-101.2	164.2	0	0	0	108.6
215	P	41.1	Very low	32.9	Very low	119 Å²	119	134.4 Å²	134.4	77%	0.773	82%	0.815	S	S	*	*				-146.3	172	106.9	32.6	-13.6	0	0	0	116.1
216	E	33.9	Very low	33.2	Very low	171 Å²	171	136.6 Å²	136.6	80%	0.799	82%	0.818	S	S	*	*			trans	-77	161.1	-178.7	-62	154.7	99.1	0	0	114.1
217	D	28.9	Very low	33.8	Very low	172 Å²	172	137 Å²	137	92%	0.92	82%	0.815	S	S	*	*				-165.3	150.9	125	-101.9	-30.3	0	0	0	111.3
218	L	33.2	Very low	33.2	Very low	153 Å²	153	136 Å²	136	80%	0.801	81%	0.809	S	S	*	*			trans	-121.4	149.1	-170.6	-95.7	153.1	0	0	0	112.1
219	E	30.5	Very low	33.8	Very low	175 Å²	175	134.8 Å²	134.8	82%	0.818	79%	0.792	S	S	*	*				-179.8	157.1	129.5	-94.5	-60.3	94.3	0	0	110.7
220	P	47.8	Very low	35	Very low	112 Å²	112	135.2 Å²	135.2	73%	0.727	78%	0.777	S	S	*	*			trans	-107.5	161.4	-152.9	40	-37.4	0	0	0	117.8
221	G	27	Very low	35.9	Very low	68 Å²	68	130.1 Å²	130.1	70%	0.701	76%	0.757	S	S	*	*			trans	-137.5	159.1	168.4	0	0	0	0	0	111.5
222	P	35.5	Very low	36.9	Very low	132 Å²	132	132.2 Å²	132.2	86%	0.857	75%	0.746	S	S	*	*			trans	-78.3	153.9	-147.4	29.3	-36.8	0	0	0	116.5	A224	P222-A224 PolarHBondContact O-N 3.16Å
223	L	39.6	Very low	37.6	Very low	185 Å²	185	126.7 Å²	126.7	97%	0.969	72%	0.722	S	S	*	*			trans	-49.8	100.1	176.3	-71.2	154.9	0	0	0	113.2
224	A	31.6	Very low	38.8	Very low	86 Å²	86	119.2 Å²	119.2	71%	0.711	68%	0.684	S	S	*	*			trans	-79.9	141.3	153.5	0	0	0	0	0	108.9	P222 S226	P222-A224 PolarHBondContact O-N 3.16Å; A224-S226 PolarHBondContact O-N 2.84Å; A224-S226 VanDerWaalsContact O-N 3.08Å
225	S	36.8	Very low	39.6	Very low	112 Å²	112	114.6 Å²	114.6	78%	0.783	66%	0.664	S	S	*	*			trans	-56.5	111.9	179.6	49.5	0	0	0	0	111.8	Q227	S225-Q227 VanDerWaalsContact C-N 3.32Å; S225-Q227 PolarHBondContact O-N 3.16Å
226	S	32.4	Very low	39.8	Very low	120 Å²	120	114.1 Å²	114.1	84%	0.839	65%	0.654	S	S	*	*			trans	-74.8	79.9	179.2	56.6	0	0	0	0	111.6	A224	A224-S226 PolarHBondContact O-N 2.84Å; A224-S226 VanDerWaalsContact O-N 3.08Å
227	Q	40.6	Very low	40.7	Very low	169 Å²	169	106.9 Å²	106.9	79%	0.79	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-71.2	137	152.1	-71.6	-179.5	-34.5	0	0	108	S225	S225-Q227 VanDerWaalsContact C-N 3.32Å; S225-Q227 PolarHBondContact O-N 3.16Å
228	P	35.1	Very low	41.8	Very low	82 Å²	82	101.3 Å²	101.3	53%	0.532	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-64.4	144.4	175.5	27.8	-33.8	0	0	0	110	I230	P228-I230 PolarHBondContact O-N 3.14Å
229	P	40.9	Very low	42.4	Very low	79 Å²	79	99.8 Å²	99.8	51%	0.513	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-59.6	128.5	175	-21.4	32.7	0	0	0	110.6	E231 Q232	P229-E231 PolarHBondContact O-N 2.99Å; P229-Q232 WeakPolarHBondContact O-CB 3.34Å; P229-Q232 PolarHBondContact O-N 3.03Å
230	I	50.8	Low	43.1	Very low	77 Å²	77	93.7 Å²	93.7	40%	0.395	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-62.3	-16.3	-178.7	-62.5	174.2	0	0	0	112.2	P228 Q232 L233 L234 F429	P228-I230 PolarHBondContact O-N 3.14Å; I230-Q232 PolarHBondContact O-N 3.28Å; I230-Q232 VanDerWaalsContact O-N 3.14Å; I230-L233 HydrophobicContact CG2-CB 4.28Å; I230-L233 WeakPolarHBondContact O-CB 3.41Å; I230-L233 PolarHBondContact O-N 3.27Å; I230-L234 PolarHBondContact O-N 3.36Å; I230-F429 HydrophobicContact CG2-CE1 3.68Å; I230-F429 HydrophobicContact CG2-CZ 3.83Å
231	E	46.1	Very low	43.1	Very low	121 Å²	121	92.8 Å²	92.8	57%	0.565	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-57.1	-21.2	167.3	-67.2	-176.6	151.5	0	0	113.8	P229 P235 K383	P229-E231 PolarHBondContact O-N 2.99Å; E231-P235 WeakPolarHBondContact O-CD 3.29Å; E231-K383 WeakPolarHBondContact OE1-CE 3.11Å; E231-K383 IonicContact OE1-NZ 2.76Å; E231-K383 PolarHBondContact OE1-NZ 3Å
232	Q	47.2	Very low	44.3	Very low	121 Å²	121	97.7 Å²	97.7	57%	0.565	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-83.7	-23.7	171.9	-64.2	-178.2	-28.4	0	0	113.1	P229 I230 P235	P229-Q232 WeakPolarHBondContact O-CB 3.34Å; P229-Q232 PolarHBondContact O-N 3.03Å; I230-Q232 PolarHBondContact O-N 3.28Å; I230-Q232 VanDerWaalsContact O-N 3.14Å; Q232-P235 WeakPolarHBondContact O-CD 3.33Å
233	L	50.8	Low	45.6	Very low	77 Å²	77	97.3 Å²	97.3	40%	0.403	55%	0.546	S	S	.	.	H	α-helix	trans	-75.8	-33.6	-179.4	-110.4	120.2	0	0	0	113.1	I230 D236 L237	I230-L233 HydrophobicContact CG2-CB 4.28Å; I230-L233 WeakPolarHBondContact O-CB 3.41Å; I230-L233 PolarHBondContact O-N 3.27Å; L233-D236 PolarHBondContact O-N 2.79Å; L233-L237 HydrophobicContact CD2-CD1 4.23Å; L233-L237 WeakPolarHBondContact O-CB 3.36Å; L233-L237 VanDerWaalsContact O-CG 3.25Å; L233-L237 WeakPolarHBondContact O-CG 3.13Å; L233-L237 PolarHBondContact O-N 3.01Å
234	L	54.1	Low	47.2	Very low	16 Å²	16	89 Å²	89	8%	0.084	50%	0.503	C	S	.	.	H	α-helix	trans	-64.9	-44.5	-179.8	-78.1	176.5	0	0	0	113.6	I230 L238 L375 I379 L425 F429	I230-L234 PolarHBondContact O-N 3.36Å; L234-L238 WeakPolarHBondContact O-CG 3.38Å; L234-L238 PolarHBondContact O-N 3.45Å; L234-L375 HydrophobicContact CD2-CD2 3.81Å; L234-I379 HydrophobicContact CD1-CD1 3.55Å; L234-I379 HydrophobicContact CD1-CG1 3.36Å; L234-L425 HydrophobicContact CD2-CD2 4.41Å; L234-F429 HydrophobicContact CD1-CE1 4.08Å; L234-F429 HydrophobicContact CD1-CZ 4.15Å; L234-F429 HydrophobicContact CD2-CE1 3.97Å; L234-F429 HydrophobicContact CD2-CE2 3.79Å; L234-F429 HydrophobicContact CD2-CZ 3.28Å; L234-F429 HydrophobicContact CG-CE1 4.02Å; L234-F429 HydrophobicContact CG-CZ 3.58Å
235	P	48.2	Very low	49.8	Very low	60 Å²	60	86.8 Å²	86.8	39%	0.39	48%	0.481	S	S	.	.	H	α-helix	trans	-55.1	-52.2	168.7	-27.3	35.2	0	0	0	112.3	E231 Q232 L237 L238 I239	E231-P235 WeakPolarHBondContact O-CD 3.29Å; Q232-P235 WeakPolarHBondContact O-CD 3.33Å; P235-L237 VanDerWaalsContact C-N 3.32Å; P235-L237 PolarHBondContact O-N 3.46Å; P235-L238 CarbonylContact O-C 3.56Å; P235-L238 PolarHBondContact O-N 2.75Å; P235-I239 HydrophobicContact CB-CD1 3.94Å; P235-I239 WeakPolarHBondContact O-CB 3.48Å; P235-I239 WeakPolarHBondContact O-CD1 3.41Å; P235-I239 WeakPolarHBondContact O-CG1 3.28Å; P235-I239 PolarHBondContact O-N 2.93Å
236	D	45	Very low	52.1	Low	108 Å²	108	84.2 Å²	84.2	58%	0.578	46%	0.458	S	S	*	.	H	α-helix	trans	-62.9	-35.9	-174.1	-73.4	-14.6	0	0	0	113.1	L233 L238 I239 S240	L233-D236 PolarHBondContact O-N 2.79Å; D236-L238 VanDerWaalsContact C-N 3.3Å; D236-L238 PolarHBondContact O-N 2.89Å; D236-I239 PolarHBondContact O-N 3.39Å; D236-S240 PolarHBondContact O-N 3.35Å
237	L	52.1	Low	55	Low	19 Å²	19	80.7 Å²	80.7	10%	0.099	43%	0.431	C	S	.	.	H	α-helix	trans	-67.9	-25.3	174.4	-71.6	170.3	0	0	0	113.8	L233 P235 M243 L244 M428 F429	L233-L237 HydrophobicContact CD2-CD1 4.23Å; L233-L237 WeakPolarHBondContact O-CB 3.36Å; L233-L237 VanDerWaalsContact O-CG 3.25Å; L233-L237 WeakPolarHBondContact O-CG 3.13Å; L233-L237 PolarHBondContact O-N 3.01Å; P235-L237 VanDerWaalsContact C-N 3.32Å; P235-L237 PolarHBondContact O-N 3.46Å; L237-M243 HydrophobicContact CD2-CB 4.5Å; L237-L244 HydrophobicContact CB-CD1 4.38Å; L237-M428 HydrophobicContact CD1-CE 3.64Å; L237-M428 HydrophobicContact CD2-CE 3.92Å; L237-M428 HydrophobicContact CG-CE 4.46Å; L237-F429 HydrophobicContact CD1-CE2 4.42Å
238	L	53	Low	57.6	Low	55 Å²	55	74.5 Å²	74.5	29%	0.288	40%	0.404	S	S	.	.	H	α-helix	trans	-93.3	-23.8	175.9	-63.8	172.9	0	0	0	112.9	L234 P235 D236 L371 L375	L234-L238 WeakPolarHBondContact O-CG 3.38Å; L234-L238 PolarHBondContact O-N 3.45Å; P235-L238 CarbonylContact O-C 3.56Å; P235-L238 PolarHBondContact O-N 2.75Å; D236-L238 VanDerWaalsContact C-N 3.3Å; D236-L238 PolarHBondContact O-N 2.89Å; L238-L371 HydrophobicContact CD2-CD2 4.3Å; L238-L375 HydrophobicContact CD1-CD1 3.75Å; L238-L375 HydrophobicContact CD2-CD1 4.19Å; L238-L375 HydrophobicContact CG-CD1 4.49Å
239	I	45.7	Very low	60.5	Low	122 Å²	122	70.7 Å²	70.7	63%	0.626	38%	0.379	S	S	*	.	H	α-helix	trans	-79.6	-26.2	179	-69.7	162.7	0	0	0	111.4	P235 D236 P241	P235-I239 HydrophobicContact CB-CD1 3.94Å; P235-I239 WeakPolarHBondContact O-CB 3.48Å; P235-I239 WeakPolarHBondContact O-CD1 3.41Å; P235-I239 WeakPolarHBondContact O-CG1 3.28Å; P235-I239 PolarHBondContact O-N 2.93Å; D236-I239 PolarHBondContact O-N 3.39Å; I239-P241 VanDerWaalsContact O-CD 3.24Å; I239-P241 WeakPolarHBondContact O-CD 3.31Å
240	S	45.1	Very low	63.3	Low	46 Å²	46	69.3 Å²	69.3	32%	0.322	37%	0.365	S	S	.	.			trans	-98.2	99.5	174.6	-171	0	0	0	0	112	D236 H242 M243	D236-S240 PolarHBondContact O-N 3.35Å; S240-H242 PolarHBondContact O-N 3.27Å; S240-M243 PolarHBondContact O-N 2.9Å
241	P	48.3	Very low	65.5	Low	94 Å²	94	65.6 Å²	65.6	61%	0.61	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	3.7	-176.1	30.2	-37.8	0	0	0	114.6	I239	I239-P241 VanDerWaalsContact O-CD 3.24Å; I239-P241 WeakPolarHBondContact O-CD 3.31Å
242	H	52.4	Low	68.1	Low	171 Å²	171	63 Å²	63	79%	0.792	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-9.6	178.9	-57.8	-54.4	0	0	0	113.6	S240	S240-H242 PolarHBondContact O-N 3.27Å
243	M	62.5	Low	70.5	Confident	124 Å²	124	57.6 Å²	57.6	61%	0.611	31%	0.308	S	S	*	.	S	Bend	trans	-93.7	-23.7	-173.4	-66.5	-59	-60.9	0	0	114.4	L237 S240	L237-M243 HydrophobicContact CD2-CB 4.5Å; S240-M243 PolarHBondContact O-N 2.9Å
244	L	72.9	Confident	72.7	Confident	11 Å²	11	56.3 Å²	56.3	6%	0.058	30%	0.3	C	S	.	.	S	Bend	trans	-131.3	135.7	-179.1	-70.7	172.6	0	0	0	110.9	L237 L246 A421 L424 L425	L237-L244 HydrophobicContact CB-CD1 4.38Å; L244-L246 HydrophobicContact CB-CD2 4.07Å; L244-L246 HydrophobicContact CB-CG 4.35Å; L244-L246 PolarHBondContact O-N 2.83Å; L244-A421 HydrophobicContact CB-CB 4.45Å; L244-L424 HydrophobicContact CD2-CB 4.27Å; L244-L425 HydrophobicContact CD1-CD1 4.17Å; L244-L425 HydrophobicContact CD1-CD2 3.95Å; L244-L425 HydrophobicContact CD1-CG 4.03Å; L244-L425 HydrophobicContact CD2-CG 4.47Å
245	P	85.4	Confident	74.8	Confident	39 Å²	39	56.4 Å²	56.4	25%	0.253	30%	0.299	S	S	.	.			trans	-80.3	73.3	177.8	35.8	-36.5	0	0	0	109.8	T247 D248 V420 L424	P245-T247 PolarHBondContact O-N 2.99Å; P245-T247 VanDerWaalsContact O-N 3.13Å; P245-D248 HydrophobicContact CB-CB 3.85Å; P245-D248 HydrophobicContact CG-CB 4.43Å; P245-D248 PolarHBondContact O-N 2.94Å; P245-V420 HydrophobicContact CG-CB 4.21Å; P245-V420 HydrophobicContact CG-CG1 3.77Å; P245-L424 HydrophobicContact CG-CD1 3.72Å
246	L	86.3	Confident	77.1	Confident	57 Å²	57	54.5 Å²	54.5	30%	0.298	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.9	-173.8	-64.2	177.7	0	0	0	114	L244 L371 A421	L244-L246 HydrophobicContact CB-CD2 4.07Å; L244-L246 HydrophobicContact CB-CG 4.35Å; L244-L246 PolarHBondContact O-N 2.83Å; L246-L371 HydrophobicContact CD2-CD2 3.83Å; L246-A421 HydrophobicContact CD2-CB 4Å
247	T	92.2	Very high	79.3	Confident	47 Å²	47	52.8 Å²	52.8	29%	0.288	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-10.4	178.6	47	0	0	0	0	113.8	P245 S266 P268 L328	P245-T247 PolarHBondContact O-N 2.99Å; P245-T247 VanDerWaalsContact O-N 3.13Å; T247-S266 WeakPolarHBondContact CB-O 3.07Å; T247-S266 PolarHBondContact OG1-O 3.34Å; T247-P268 HydrophobicContact CG2-CB 3.92Å; T247-L328 HydrophobicContact CG2-CD1 4.32Å
248	D	94.9	Very high	81.2	Confident	38 Å²	38	55.7 Å²	55.7	20%	0.203	30%	0.302	C	S	.	.			trans	-85.5	126.1	-165.3	-73.1	30.7	0	0	0	111.9	P245 T264 I265 S266 V420	P245-D248 HydrophobicContact CB-CB 3.85Å; P245-D248 HydrophobicContact CG-CB 4.43Å; P245-D248 PolarHBondContact O-N 2.94Å; D248-T264 HydrophobicContact CB-CG2 4.16Å; D248-I265 CarbonylContact C-O 3.59Å; D248-I265 WeakPolarHBondContact CA-O 3.39Å; D248-S266 WeakPolarHBondContact OD1-CA 3.22Å; D248-S266 WeakPolarHBondContact OD1-CB 3.28Å; D248-V420 HydrophobicContact CB-CB 3.89Å; D248-V420 HydrophobicContact CB-CG2 3.88Å; D248-V420 WeakPolarHBondContact O-CG2 3.43Å; D248-V420 PolarHBondContact O-N 2.81Å
249	L	97.3	Very high	83.1	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.016	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.2	176.7	-56.8	178.5	0	0	0	108.4	I251 T264 I265 L333 V417 P419	L249-I251 HydrophobicContact CB-CG1 4.41Å; L249-T264 WeakPolarHBondContact O-CA 3.47Å; L249-I265 HydrophobicContact CB-CD1 4.25Å; L249-I265 HydrophobicContact CB-CG1 3.87Å; L249-I265 HydrophobicContact CD1-CD1 4.34Å; L249-I265 PolarHBondContact N-O 3.31Å; L249-I265 WeakPolarHBondContact O-CG1 3.23Å; L249-I265 PolarHBondContact O-N 3.03Å; L249-L333 HydrophobicContact CD1-CD1 3.77Å; L249-L333 HydrophobicContact CD1-CD2 4.35Å; L249-L333 HydrophobicContact CD2-CD1 4.27Å; L249-L333 HydrophobicContact CD2-CD2 3.97Å; L249-V417 HydrophobicContact CB-CG1 4.33Å; L249-V417 HydrophobicContact CD2-CG1 4.47Å; L249-P419 HydrophobicContact CD2-CB 4.36Å
250	E	98.2	Very high	85.4	Confident	49 Å²	49	54.8 Å²	54.8	23%	0.229	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.5	166.1	-174.5	-177.6	150	0	0	108.5	V417 V418 V420 R423	E250-V417 CarbonylContact O-C 3.5Å; E250-V417 VanDerWaalsContact O-CA 3.31Å; E250-V417 WeakPolarHBondContact O-CA 3.49Å; E250-V418 HydrophobicContact CB-CB 4.34Å; E250-V418 PolarHBondContact N-O 2.88Å; E250-V418 PolarHBondContact O-N 2.89Å; E250-V420 HydrophobicContact CB-CG2 4.16Å; E250-R423 IonicContact OE2-CZ 3.27Å; E250-R423 VanDerWaalsContact OE2-CZ 3.26Å; E250-R423 IonicContact OE2-NH1 3.95Å; E250-R423 PolarHBondContact OE2-NH1 2.79Å; E250-R423 IonicContact OE2-NH2 2.65Å; E250-R423 PolarHBondContact OE2-NH2 3.42Å
251	I	98.8	Very high	87.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.5	-174.9	-57.8	163.8	0	0	0	108	L249 F253 A262 L263 I265 L273 V296 V415 V417	L249-I251 HydrophobicContact CB-CG1 4.41Å; I251-F253 HydrophobicContact CB-CE2 4.48Å; I251-F253 HydrophobicContact CG2-CD2 4.18Å; I251-F253 HydrophobicContact CG2-CE2 3.54Å; I251-F253 HydrophobicContact CG2-CZ 3.75Å; I251-A262 CarbonylContact O-C 3.58Å; I251-A262 WeakPolarHBondContact O-CA 3.27Å; I251-L263 HydrophobicContact CB-CD1 4.41Å; I251-L263 HydrophobicContact CD1-CD1 4.38Å; I251-L263 PolarHBondContact N-O 3.31Å; I251-L263 PolarHBondContact O-N 3.36Å; I251-I265 HydrophobicContact CD1-CD1 3.62Å; I251-I265 HydrophobicContact CD1-CG1 3.87Å; I251-I265 HydrophobicContact CD1-CG2 4.37Å; I251-L273 HydrophobicContact CD1-CD2 4.05Å; I251-L273 HydrophobicContact CG2-CD2 4.12Å; I251-V296 HydrophobicContact CD1-CG2 4.33Å; I251-V415 HydrophobicContact CG2-CG1 3.66Å; I251-V417 HydrophobicContact CG1-CG2 4.33Å; I251-V417 HydrophobicContact CG2-CG2 4.44Å
252	K	98.7	Very high	90	Very high	67 Å²	67	57.6 Å²	57.6	29%	0.291	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	104.2	-173.4	179.6	-178.8	174	-170.5	0	110.4	P260 A262 V415 Q416	K252-P260 HydrophobicContact CD-CB 4.2Å; K252-P260 VanDerWaalsContact CE-CB 3.48Å; K252-P260 HydrophobicContact CG-CB 3.76Å; K252-A262 HydrophobicContact CB-CB 4.18Å; K252-A262 HydrophobicContact CG-CB 4.26Å; K252-V415 WeakPolarHBondContact O-CA 3.25Å; K252-Q416 HydrophobicContact CB-CB 4.25Å; K252-Q416 PolarHBondContact N-O 2.89Å; K252-Q416 PolarHBondContact O-N 3.18Å
253	F	98.6	Very high	92.1	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	135.2	176.2	-62.5	-89.1	0	0	0	110.6	I251 P260 R261 L263 L273 V296 F298 P299 V415	I251-F253 HydrophobicContact CB-CE2 4.48Å; I251-F253 HydrophobicContact CG2-CD2 4.18Å; I251-F253 HydrophobicContact CG2-CE2 3.54Å; I251-F253 HydrophobicContact CG2-CZ 3.75Å; F253-P260 CarbonylContact O-C 3.58Å; F253-P260 WeakPolarHBondContact O-CA 3.36Å; F253-R261 PolarHBondContact N-O 3.28Å; F253-R261 PolarHBondContact O-N 2.83Å; F253-L263 HydrophobicContact CE2-CD2 4.04Å; F253-L273 HydrophobicContact CZ-CD2 4.19Å; F253-V296 HydrophobicContact CE2-CG1 3.83Å; F253-V296 HydrophobicContact CZ-CG1 3.67Å; F253-F298 AromaticContact CD1-CD1 3.48Å; F253-F298 HydrophobicContact CD1-CD1 3.48Å; F253-F298 VanDerWaalsContact CD1-CD1 3.48Å; F253-F298 AromaticContact CD1-CE1 3.61Å; F253-F298 HydrophobicContact CD1-CE1 3.61Å; F253-F298 HydrophobicContact CD1-CG 4.02Å; F253-F298 HydrophobicContact CD1-CZ 4.27Å; F253-F298 AromaticContact CE1-CD1 3.65Å; F253-F298 HydrophobicContact CE1-CD1 3.65Å; F253-F298 AromaticContact CE1-CD2 3.99Å; F253-F298 HydrophobicContact CE1-CD2 3.99Å; F253-F298 AromaticContact CE1-CE1 3.71Å; F253-F298 HydrophobicContact CE1-CE1 3.71Å; F253-F298 HydrophobicContact CE1-CE2 4.06Å; F253-F298 AromaticContact CE1-CG 3.79Å; F253-F298 HydrophobicContact CE1-CG 3.79Å; F253-F298 AromaticContact CE1-CZ 3.92Å; F253-F298 HydrophobicContact CE1-CZ 3.92Å; F253-P299 HydrophobicContact CB-CG 4.06Å; F253-P299 HydrophobicContact CG-CG 4.27Å; F253-V415 HydrophobicContact CD1-CG1 4.44Å; F253-V415 HydrophobicContact CD1-CG2 3.62Å; F253-V415 HydrophobicContact CE1-CG1 4.44Å; F253-V415 HydrophobicContact CE1-CG2 3.89Å; F253-V415 HydrophobicContact CG-CG2 4.47Å
254	Q	98	Very high	93.8	Very high	51 Å²	51	50.6 Å²	50.6	24%	0.238	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	114	-177.2	172.8	66.4	43.5	0	0	109.8	R258 P260 T414	Q254-R258 PolarHBondContact NE2-O 2.95Å; Q254-P260 VanDerWaalsContact OE1-CA 3.3Å; Q254-P260 VanDerWaalsContact OE1-CB 3.25Å; Q254-P260 VanDerWaalsContact OE1-CD 3.32Å; Q254-T414 WeakPolarHBondContact CB-OG1 3.36Å; Q254-T414 PolarHBondContact N-O 3.2Å; Q254-T414 PolarHBondContact O-N 2.96Å; Q254-T414 PolarHBondContact O-OG1 3.18Å
255	Y	98.1	Very high	94.8	Very high	17 Å²	17	50.8 Å²	50.8	7%	0.067	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	143.5	166.7	-63.4	-36.2	0	0	0	110.1	G257 R258 F298 P299 P301 I304 T313 L412 I413	Y255-G257 PolarHBondContact O-N 3.04Å; Y255-R258 WeakPolarHBondContact O-CB 3.43Å; Y255-R258 PolarHBondContact O-N 3.05Å; Y255-F298 HydrophobicContact CE1-CD1 4.49Å; Y255-P299 HydrophobicContact CE2-CB 4.32Å; Y255-P299 PolarHBondContact OH-O 3.29Å; Y255-P301 HydrophobicContact CE2-CB 4.37Å; Y255-I304 HydrophobicContact CD2-CD1 3.93Å; Y255-I304 HydrophobicContact CD2-CG1 4.37Å; Y255-I304 HydrophobicContact CG-CD1 4.13Å; Y255-T313 HydrophobicContact CD1-CG2 4.13Å; Y255-T313 HydrophobicContact CE1-CG2 3.95Å; Y255-L412 VanDerWaalsContact CA-O 3.31Å; Y255-L412 WeakPolarHBondContact CA-O 3.42Å; Y255-I413 HydrophobicContact CD1-CB 4.37Å; Y255-I413 HydrophobicContact CD1-CG1 3.92Å; Y255-I413 HydrophobicContact CD1-CG2 4.34Å; Y255-I413 HydrophobicContact CE1-CB 4.37Å; Y255-I413 HydrophobicContact CE1-CD1 4.23Å; Y255-I413 HydrophobicContact CE1-CG1 3.84Å; Y255-I413 HydrophobicContact CE1-CG2 4.01Å
256	R	95.2	Very high	95.3	Very high	21 Å²	21	52.3 Å²	52.3	8%	0.079	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.9	128	178.5	179.2	179.2	-173.6	154.2	-13.2	112.3	E145 R258 Q309 K410 K411 L412	E145-R256 VanDerWaalsContact CB-NH2 3.27Å; E145-R256 IonicContact OE1-NH2 2.75Å; E145-R256 IonicContact OE2-CZ 3.64Å; E145-R256 IonicContact OE2-NH2 3.28Å; E145-R256 PolarHBondContact OE2-NH2 2.91Å; R256-R258 PolarHBondContact O-N 3.35Å; R256-R258 VanDerWaalsContact O-N 3.14Å; R256-Q309 PolarHBondContact O-NE2 2.88Å; R256-K410 WeakPolarHBondContact CD-O 3.45Å; R256-K410 PolarHBondContact NH1-O 3.11Å; R256-K411 WeakPolarHBondContact CB-O 3.2Å; R256-L412 PolarHBondContact N-O 2.9Å
257	G	90.8	Very high	95.6	Very high	71 Å²	71	50.9 Å²	50.9	73%	0.732	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	14.4	177.4	0	0	0	0	0	116.2	Y255	Y255-G257 PolarHBondContact O-N 3.04Å
258	R	93.8	Very high	95.7	Very high	81 Å²	81	52.5 Å²	52.5	31%	0.306	30%	0.301	S	S	.	.	S	Bend	trans	-108.6	156.5	173.3	-55.5	-53.7	-66	156.9	-4.1	110.1	Q254 Y255 R256 D303 I304	Q254-R258 PolarHBondContact NE2-O 2.95Å; Y255-R258 WeakPolarHBondContact O-CB 3.43Å; Y255-R258 PolarHBondContact O-N 3.05Å; R256-R258 PolarHBondContact O-N 3.35Å; R256-R258 VanDerWaalsContact O-N 3.14Å; R258-D303 PolarHBondContact NE-O 2.77Å; R258-D303 PolarHBondContact NH2-O 2.88Å; R258-I304 HydrophobicContact CG-CG1 4.16Å
259	P	92.6	Very high	95.6	Very high	96 Å²	96	55.6 Å²	55.6	62%	0.623	32%	0.315	S	S	*	.			trans	-65.1	146.6	166.7	28.2	-34.4	0	0	0	110.5
260	P	93.8	Very high	95.6	Very high	62 Å²	62	55.5 Å²	55.5	40%	0.403	31%	0.314	S	S	.	.			trans	-66.8	148.4	177	24.9	-31.9	0	0	0	111.5	K252 F253 Q254	K252-P260 HydrophobicContact CD-CB 4.2Å; K252-P260 VanDerWaalsContact CE-CB 3.48Å; K252-P260 HydrophobicContact CG-CB 3.76Å; F253-P260 CarbonylContact O-C 3.58Å; F253-P260 WeakPolarHBondContact O-CA 3.36Å; Q254-P260 VanDerWaalsContact OE1-CA 3.3Å; Q254-P260 VanDerWaalsContact OE1-CB 3.25Å; Q254-P260 VanDerWaalsContact OE1-CD 3.32Å
261	R	94.6	Very high	95.6	Very high	137 Å²	137	53.1 Å²	53.1	52%	0.517	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.2	169.9	-67.2	179.9	179.2	-113.7	9.8	108.5	F253 P299 D303	F253-R261 PolarHBondContact N-O 3.28Å; F253-R261 PolarHBondContact O-N 2.83Å; R261-P299 HydrophobicContact CB-CG 4.32Å; R261-D303 IonicContact CZ-OD2 3.75Å; R261-D303 IonicContact NH2-OD2 2.67Å; R261-D303 PolarHBondContact NH2-OD2 3.11Å
262	A	95.4	Very high	95.6	Very high	61 Å²	61	53.1 Å²	53.1	50%	0.504	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	151	-179.9	0	0	0	0	0	111.9	I251 K252	I251-A262 CarbonylContact O-C 3.58Å; I251-A262 WeakPolarHBondContact O-CA 3.27Å; K252-A262 HydrophobicContact CB-CB 4.18Å; K252-A262 HydrophobicContact CG-CB 4.26Å
263	L	96.8	Very high	95.6	Very high	69 Å²	69	50 Å²	50	36%	0.361	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155.1	170.3	63.6	93.6	0	0	0	109.4	I251 F253 I265 V296	I251-L263 HydrophobicContact CB-CD1 4.41Å; I251-L263 HydrophobicContact CD1-CD1 4.38Å; I251-L263 PolarHBondContact N-O 3.31Å; I251-L263 PolarHBondContact O-N 3.36Å; F253-L263 HydrophobicContact CE2-CD2 4.04Å; L263-I265 HydrophobicContact CD1-CG2 3.6Å; L263-V296 HydrophobicContact CD1-CG1 4.16Å; L263-V296 HydrophobicContact CD2-CG1 3.98Å
264	T	97.1	Very high	95.6	Very high	79 Å²	79	49.9 Å²	49.9	49%	0.485	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.4	173.9	-53.4	0	0	0	0	109.4	D248 L249 V420	D248-T264 HydrophobicContact CB-CG2 4.16Å; L249-T264 WeakPolarHBondContact O-CA 3.47Å; T264-V420 HydrophobicContact CG2-CG2 4.25Å
265	I	95.1	Very high	95.6	Very high	15 Å²	15	49.4 Å²	49.4	8%	0.077	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	155.8	171.3	60.6	168	0	0	0	109.6	D248 L249 I251 L263 C271 E294 V296	D248-I265 CarbonylContact C-O 3.59Å; D248-I265 WeakPolarHBondContact CA-O 3.39Å; L249-I265 HydrophobicContact CB-CD1 4.25Å; L249-I265 HydrophobicContact CB-CG1 3.87Å; L249-I265 HydrophobicContact CD1-CD1 4.34Å; L249-I265 PolarHBondContact N-O 3.31Å; L249-I265 WeakPolarHBondContact O-CG1 3.23Å; L249-I265 PolarHBondContact O-N 3.03Å; I251-I265 HydrophobicContact CD1-CD1 3.62Å; I251-I265 HydrophobicContact CD1-CG1 3.87Å; I251-I265 HydrophobicContact CD1-CG2 4.37Å; L263-I265 HydrophobicContact CD1-CG2 3.6Å; I265-C271 HydrophobicContact CD1-CB 3.34Å; I265-C271 VanDerWaalsContact CD1-SG 3.52Å; I265-E294 HydrophobicContact CB-CG 4.3Å; I265-E294 HydrophobicContact CD1-CB 4.4Å; I265-E294 HydrophobicContact CG2-CG 3.81Å; I265-V296 HydrophobicContact CG2-CG2 4.02Å
266	S	94.5	Very high	95.4	Very high	72 Å²	72	48.9 Å²	48.9	50%	0.503	28%	0.284	S	S	.	.			trans	-130.8	14.3	179.2	56.2	0	0	0	0	113.3	T247 D248	T247-S266 WeakPolarHBondContact CB-O 3.07Å; T247-S266 PolarHBondContact OG1-O 3.34Å; D248-S266 WeakPolarHBondContact OD1-CA 3.22Å; D248-S266 WeakPolarHBondContact OD1-CB 3.28Å
267	N	94.3	Very high	95.1	Very high	27 Å²	27	55.7 Å²	55.7	14%	0.144	32%	0.317	C	S	.	.			trans	-66.4	123.2	-177.4	-176	-36.4	0	0	0	110.7	Q269 G270 S292 E294	N267-Q269 PolarHBondContact O-N 3.22Å; N267-Q269 WeakPolarHBondContact OD1-CB 3.43Å; N267-Q269 PolarHBondContact OD1-N 3.16Å; N267-G270 WeakPolarHBondContact O-CA 3.45Å; N267-G270 PolarHBondContact O-N 3.29Å; N267-S292 PolarHBondContact ND2-O 2.83Å; N267-E294 HydrophobicContact CB-CB 3.95Å; N267-E294 PolarHBondContact ND2-N 2.74Å; N267-E294 PolarHBondContact ND2-OE2 2.85Å
268	P	92.4	Very high	95.2	Very high	80 Å²	80	57 Å²	57	52%	0.519	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.7	-175	28.5	-36.7	0	0	0	114.5	T247	T247-P268 HydrophobicContact CG2-CB 3.92Å
269	Q	93.5	Very high	95	Very high	104 Å²	104	58.6 Å²	58.6	49%	0.486	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-13.4	170.8	-57.8	-60.2	-80	0	0	112	N267 L293 Q327	N267-Q269 PolarHBondContact O-N 3.22Å; N267-Q269 WeakPolarHBondContact OD1-CB 3.43Å; N267-Q269 PolarHBondContact OD1-N 3.16Å; Q269-L293 HydrophobicContact CB-CD2 3.95Å; Q269-L293 WeakPolarHBondContact O-CD2 3.48Å; Q269-Q327 WeakPolarHBondContact O-CA 3.22Å
270	G	96.9	Very high	94.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.295	C	S	.	.			trans	87.9	-149	-170.7	0	0	0	0	0	112.6	N267 E294 L326	N267-G270 WeakPolarHBondContact O-CA 3.45Å; N267-G270 PolarHBondContact O-N 3.29Å; G270-E294 PolarHBondContact O-N 2.77Å; G270-L326 CarbonylContact C-O 3.54Å; G270-L326 VanDerWaalsContact CA-O 3.27Å; G270-L326 WeakPolarHBondContact CA-O 3.23Å
271	C	98.6	Very high	94.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	175.1	-171	66.4	0	0	0	0	114.6	I265 E294 V296 I325 L326	I265-C271 HydrophobicContact CD1-CB 3.34Å; I265-C271 VanDerWaalsContact CD1-SG 3.52Å; C271-E294 CarbonylContact C-O 3.54Å; C271-E294 VanDerWaalsContact CA-O 3.22Å; C271-E294 WeakPolarHBondContact CA-O 3.35Å; C271-E294 HydrophobicContact CB-CB 3.76Å; C271-E294 VanDerWaalsContact CB-O 3.27Å; C271-E294 WeakPolarHBondContact CB-O 3.29Å; C271-V296 HydrophobicContact CB-CG2 3.84Å; C271-I325 CarbonylContact O-C 3.56Å; C271-I325 WeakPolarHBondContact O-CA 3.49Å; C271-L326 PolarHBondContact N-O 2.97Å; C271-L326 PolarHBondContact O-N 2.92Å
272	R	98.7	Very high	94.7	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.5	168.9	-172.5	177.1	72.9	99.6	0.5	110	F274 F288 L293 E294 Q295 V296 D321 R322 L324 I325	R272-F274 VanDerWaalsContact NH2-CD2 3.32Å; R272-F288 WeakPolarHBondContact CD-O 3.45Å; R272-F288 PolarHBondContact NE-O 3.37Å; R272-L293 HydrophobicContact CB-CD1 4.35Å; R272-E294 PolarHBondContact N-O 2.91Å; R272-Q295 VanDerWaalsContact CZ-OE1 3.25Å; R272-V296 PolarHBondContact O-N 2.68Å; R272-V296 VanDerWaalsContact O-O 3.14Å; R272-D321 PolarHBondContact NH1-O 2.83Å; R272-R322 WeakPolarHBondContact CD-O 3.44Å; R272-R322 PolarHBondContact NH1-O 2.88Å; R272-R322 VanDerWaalsContact NH1-O 3.08Å; R272-L324 CarbonylContact C-O 3.56Å; R272-L324 WeakPolarHBondContact CA-O 3.16Å; R272-I325 HydrophobicContact CB-CG1 4.31Å; R272-I325 HydrophobicContact CG-CG1 4.03Å
273	L	98.8	Very high	94.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	115.3	173.8	-46	-172.4	0	0	0	109	I251 F253 V296 F298 G323 L324 L326 F398 V415	I251-L273 HydrophobicContact CD1-CD2 4.05Å; I251-L273 HydrophobicContact CG2-CD2 4.12Å; F253-L273 HydrophobicContact CZ-CD2 4.19Å; L273-V296 WeakPolarHBondContact CA-O 2.98Å; L273-V296 HydrophobicContact CD2-CB 3.94Å; L273-V296 HydrophobicContact CD2-CG1 4.13Å; L273-F298 HydrophobicContact CB-CE2 3.85Å; L273-F298 HydrophobicContact CB-CZ 4.48Å; L273-G323 CarbonylContact O-C 3.51Å; L273-G323 WeakPolarHBondContact O-CA 3.45Å; L273-L324 HydrophobicContact CB-CB 4.5Å; L273-L324 HydrophobicContact CD1-CD2 4.47Å; L273-L324 PolarHBondContact N-O 3.1Å; L273-L324 PolarHBondContact O-N 3.39Å; L273-L326 HydrophobicContact CD1-CD1 3.97Å; L273-L326 HydrophobicContact CD2-CD1 4.43Å; L273-L326 HydrophobicContact CG-CD1 4.18Å; L273-F398 HydrophobicContact CD1-CZ 4.45Å; L273-V415 HydrophobicContact CD1-CG1 4Å
274	F	98.7	Very high	94.4	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	169.2	-173.4	81.2	-69.7	0	0	0	114	R272 Q295 V296 R297 F298	R272-F274 VanDerWaalsContact NH2-CD2 3.32Å; F274-Q295 HydrophobicContact CE1-CB 3.92Å; F274-Q295 HydrophobicContact CZ-CB 4.46Å; F274-V296 PolarHBondContact N-O 2.99Å; F274-V296 VanDerWaalsContact N-O 3.08Å; F274-R297 HydrophobicContact CE1-CB 4.42Å; F274-R297 CarbonylContact O-C 3.58Å; F274-R297 VanDerWaalsContact O-CA 3.31Å; F274-R297 WeakPolarHBondContact O-CA 3.49Å; F274-F298 WeakPolarHBondContact O-CD2 3.19Å; F274-F298 PolarHBondContact O-N 2.95Å
275	Y	98.3	Very high	94.2	Very high	42 Å²	42	60 Å²	60	17%	0.165	31%	0.309	C	S	.	.			trans	-141.4	108.3	167.7	-165.5	-95	0	0	0	109	R297 F298 L317 L320 D321	Y275-R297 HydrophobicContact CD2-CG 4.19Å; Y275-F298 HydrophobicContact CD2-CB 3.94Å; Y275-F298 WeakPolarHBondContact CD2-O 3.36Å; Y275-L317 HydrophobicContact CD1-CB 3.67Å; Y275-L317 HydrophobicContact CD1-CG 4.49Å; Y275-L317 HydrophobicContact CD2-CD1 4.45Å; Y275-L317 HydrophobicContact CD2-CD2 4.12Å; Y275-L317 HydrophobicContact CE1-CB 4.07Å; Y275-L317 HydrophobicContact CE1-CD1 4.45Å; Y275-L317 HydrophobicContact CE2-CD1 4.32Å; Y275-L317 HydrophobicContact CG-CB 3.96Å; Y275-L317 HydrophobicContact CG-CD2 3.97Å; Y275-L317 HydrophobicContact CG-CG 4.38Å; Y275-L320 PolarHBondContact N-O 2.87Å; Y275-D321 WeakPolarHBondContact O-CA 3.35Å; Y275-D321 PolarHBondContact O-N 2.96Å
276	S	94.1	Very high	94.1	Very high	5 Å²	5	67.8 Å²	67.8	4%	0.035	34%	0.344	C	S	.	.			trans	-157.6	153.1	175.8	-164.9	0	0	0	0	110.8	L278 R297 D321	S276-L278 WeakPolarHBondContact OG-CB 3.38Å; S276-L278 PolarHBondContact OG-N 3.33Å; S276-R297 VanDerWaalsContact C-NH2 3.27Å; S276-R297 PolarHBondContact O-NH1 3.43Å; S276-R297 PolarHBondContact O-NH2 3.34Å; S276-D321 WeakPolarHBondContact CB-OD1 3.16Å; S276-D321 PolarHBondContact OG-OD1 3.47Å
277	Q	89.5	Confident	94.1	Very high	165 Å²	165	68.4 Å²	68.4	77%	0.771	34%	0.342	S	S	*	.	S	Bend	trans	-80.3	-2.1	163.1	-56.3	-61.8	0.7	0	0	112.4
278	L	91.3	Very high	94.3	Very high	99 Å²	99	67.6 Å²	67.6	52%	0.518	34%	0.337	S	S	.	.	S	Bend	trans	-92	132.2	175.8	-54.3	177.2	0	0	0	110.7	S276 F288	S276-L278 WeakPolarHBondContact OG-CB 3.38Å; S276-L278 PolarHBondContact OG-N 3.33Å; L278-F288 HydrophobicContact CB-CZ 4.11Å; L278-F288 HydrophobicContact CD1-CZ 3.96Å
279	E	89.9	Confident	94.4	Very high	114 Å²	114	64 Å²	64	53%	0.533	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-88.3	151.9	174	-65.6	-57.4	153.9	0	0	111.6	T281	E279-T281 PolarHBondContact O-N 3.34Å
280	A	89.6	Confident	94.5	Very high	18 Å²	18	61.7 Å²	61.7	15%	0.149	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-71.1	128.4	173.3	0	0	0	0	0	110.2	F288 V291	A280-F288 HydrophobicContact CB-CB 3.88Å; A280-V291 HydrophobicContact CB-CG1 4.2Å; A280-V291 WeakPolarHBondContact O-CG1 3.27Å
281	T	92.1	Very high	94.4	Very high	58 Å²	58	64.7 Å²	64.7	36%	0.356	33%	0.327	S	S	.	.			trans	-122.1	155.9	177.4	65	0	0	0	0	111.1	E279 E283 Q284 V285 V291	E279-T281 PolarHBondContact O-N 3.34Å; T281-E283 PolarHBondContact O-N 3.44Å; T281-Q284 CarbonylContact O-C 3.55Å; T281-Q284 PolarHBondContact O-N 3Å; T281-Q284 WeakPolarHBondContact OG1-CB 3.25Å; T281-Q284 VanDerWaalsContact OG1-CD 3.22Å; T281-Q284 VanDerWaalsContact OG1-CG 3.27Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.45Å; T281-Q284 PolarHBondContact OG1-OE1 2.95Å; T281-V285 PolarHBondContact O-N 3.35Å; T281-V291 VanDerWaalsContact C-CG1 3.46Å
282	Q	93.1	Very high	94.3	Very high	142 Å²	142	67.7 Å²	67.7	66%	0.664	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-61.8	-26.3	-177.6	-171	62.3	21.1	0	0	113.1	Q284 V285	Q282-Q284 VanDerWaalsContact C-N 3.34Å; Q282-V285 WeakPolarHBondContact O-CG2 3.25Å
283	E	92.6	Very high	94.3	Very high	192 Å²	192	68.3 Å²	68.3	90%	0.897	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-78.2	-18.5	176.2	-62.5	176.7	-166	0	0	112.8	T281	T281-E283 PolarHBondContact O-N 3.44Å
284	Q	92.7	Very high	94.2	Very high	75 Å²	75	72.4 Å²	72.4	35%	0.35	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-115.1	22.8	-171.7	-63.1	172	-31.3	0	0	112.6	T281 Q282 E286 L287 F288	T281-Q284 CarbonylContact O-C 3.55Å; T281-Q284 PolarHBondContact O-N 3Å; T281-Q284 WeakPolarHBondContact OG1-CB 3.25Å; T281-Q284 VanDerWaalsContact OG1-CD 3.22Å; T281-Q284 VanDerWaalsContact OG1-CG 3.27Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.45Å; T281-Q284 PolarHBondContact OG1-OE1 2.95Å; Q282-Q284 VanDerWaalsContact C-N 3.34Å; Q284-E286 VanDerWaalsContact C-N 3.25Å; Q284-E286 PolarHBondContact O-N 3.27Å; Q284-L287 HydrophobicContact CB-CB 4.5Å; Q284-L287 HydrophobicContact CB-CD1 4.42Å; Q284-L287 HydrophobicContact CG-CD1 4.49Å; Q284-L287 WeakPolarHBondContact O-CA 3.36Å; Q284-L287 WeakPolarHBondContact O-CB 3.36Å; Q284-L287 PolarHBondContact O-N 3.01Å; Q284-F288 HydrophobicContact CB-CD2 3.75Å; Q284-F288 HydrophobicContact CB-CE2 4.09Å; Q284-F288 PolarHBondContact O-N 3.37Å
285	V	93.6	Very high	94.2	Very high	49 Å²	49	74.7 Å²	74.7	30%	0.297	38%	0.38	S	S	.	.	H	α-helix	trans	-60.2	-30.4	-177.7	170.1	0	0	0	0	112.9	T281 Q282 L287 G289	T281-V285 PolarHBondContact O-N 3.35Å; Q282-V285 WeakPolarHBondContact O-CG2 3.25Å; V285-L287 VanDerWaalsContact C-N 3.27Å; V285-L287 PolarHBondContact O-N 3.3Å; V285-G289 WeakPolarHBondContact O-CA 3.14Å; V285-G289 PolarHBondContact O-N 2.85Å
286	E	93.1	Very high	94.2	Very high	177 Å²	177	73.1 Å²	73.1	83%	0.827	38%	0.375	S	S	*	.	H	α-helix	trans	-69	-25.8	172.8	-63.2	-170.1	158.9	0	0	113.1	Q284 R322	Q284-E286 VanDerWaalsContact C-N 3.25Å; Q284-E286 PolarHBondContact O-N 3.27Å; E286-R322 PolarHBondContact O-NH2 3.21Å
287	L	95.3	Very high	94.4	Very high	85 Å²	85	76.7 Å²	76.7	45%	0.445	39%	0.388	S	S	.	.	H	α-helix	trans	-87.1	-52.6	179.4	-58	-179.2	0	0	0	111.1	Q284 V285 R322	Q284-L287 HydrophobicContact CB-CB 4.5Å; Q284-L287 HydrophobicContact CB-CD1 4.42Å; Q284-L287 HydrophobicContact CG-CD1 4.49Å; Q284-L287 WeakPolarHBondContact O-CA 3.36Å; Q284-L287 WeakPolarHBondContact O-CB 3.36Å; Q284-L287 PolarHBondContact O-N 3.01Å; V285-L287 VanDerWaalsContact C-N 3.27Å; V285-L287 PolarHBondContact O-N 3.3Å; L287-R322 VanDerWaalsContact O-CB 3.32Å; L287-R322 WeakPolarHBondContact O-CB 3.42Å; L287-R322 WeakPolarHBondContact O-CG 3.43Å; L287-R322 PolarHBondContact O-NE 3.28Å
288	F	96.9	Very high	94.8	Very high	11 Å²	11	68.9 Å²	68.9	5%	0.048	35%	0.352	C	S	.	.	H	α-helix	trans	-109	-1.7	-170.7	-56.2	-64.9	0	0	0	114.1	R272 L278 A280 Q284 D321	R272-F288 WeakPolarHBondContact CD-O 3.45Å; R272-F288 PolarHBondContact NE-O 3.37Å; L278-F288 HydrophobicContact CB-CZ 4.11Å; L278-F288 HydrophobicContact CD1-CZ 3.96Å; A280-F288 HydrophobicContact CB-CB 3.88Å; Q284-F288 HydrophobicContact CB-CD2 3.75Å; Q284-F288 HydrophobicContact CB-CE2 4.09Å; Q284-F288 PolarHBondContact O-N 3.37Å; F288-D321 HydrophobicContact CE1-CB 4.31Å
289	G	95.4	Very high	95.1	Very high	4 Å²	4	65.4 Å²	65.4	4%	0.041	34%	0.335	C	S	.	.			trans	78.9	-178.8	-174.3	0	0	0	0	0	113.9	V285	V285-G289 WeakPolarHBondContact O-CA 3.14Å; V285-G289 PolarHBondContact O-N 2.85Å
290	P	95.5	Very high	95.4	Very high	55 Å²	55	62 Å²	62	36%	0.357	32%	0.324	S	S	.	.			trans	-62.8	135.7	-178.1	-22.7	33.5	0	0	0	113.1	S292 L293	P290-S292 PolarHBondContact O-N 2.76Å; P290-L293 HydrophobicContact CB-CG 4.39Å; P290-L293 PolarHBondContact O-N 3.48Å
291	V	95.1	Very high	95.7	Very high	64 Å²	64	61.3 Å²	61.3	39%	0.388	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.7	175.6	-57.9	0	0	0	0	113.8	A280 T281 L293	A280-V291 HydrophobicContact CB-CG1 4.2Å; A280-V291 WeakPolarHBondContact O-CG1 3.27Å; T281-V291 VanDerWaalsContact C-CG1 3.46Å; V291-L293 VanDerWaalsContact C-N 3.3Å
292	S	96.2	Very high	95.8	Very high	63 Å²	63	65.8 Å²	65.8	44%	0.441	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.6	176.3	52	0	0	0	0	114.1	N267 P290	N267-S292 PolarHBondContact ND2-O 2.83Å; P290-S292 PolarHBondContact O-N 2.76Å
293	L	97.8	Very high	95.8	Very high	12 Å²	12	63.1 Å²	63.1	6%	0.063	33%	0.325	C	S	.	.	S	Bend	trans	-73.6	148.3	175.5	-65.1	173.8	0	0	0	111.1	Q269 R272 P290 V291 Q295 I325	Q269-L293 HydrophobicContact CB-CD2 3.95Å; Q269-L293 WeakPolarHBondContact O-CD2 3.48Å; R272-L293 HydrophobicContact CB-CD1 4.35Å; P290-L293 HydrophobicContact CB-CG 4.39Å; P290-L293 PolarHBondContact O-N 3.48Å; V291-L293 VanDerWaalsContact C-N 3.3Å; L293-Q295 PolarHBondContact O-N 2.85Å; L293-Q295 PolarHBondContact O-NE2 2.73Å; L293-I325 HydrophobicContact CD1-CB 4.3Å; L293-I325 HydrophobicContact CD1-CD1 3.87Å; L293-I325 HydrophobicContact CD1-CG1 3.77Å; L293-I325 HydrophobicContact CD1-CG2 3.66Å; L293-I325 HydrophobicContact CD2-CG2 4.44Å
294	E	98.1	Very high	95.9	Very high	86 Å²	86	54 Å²	54	40%	0.402	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	123.3	170	-157.8	59.6	-140.6	0	0	110.3	I265 N267 G270 C271 R272 V296	I265-E294 HydrophobicContact CB-CG 4.3Å; I265-E294 HydrophobicContact CD1-CB 4.4Å; I265-E294 HydrophobicContact CG2-CG 3.81Å; N267-E294 HydrophobicContact CB-CB 3.95Å; N267-E294 PolarHBondContact ND2-N 2.74Å; N267-E294 PolarHBondContact ND2-OE2 2.85Å; G270-E294 PolarHBondContact O-N 2.77Å; C271-E294 CarbonylContact C-O 3.54Å; C271-E294 VanDerWaalsContact CA-O 3.22Å; C271-E294 WeakPolarHBondContact CA-O 3.35Å; C271-E294 HydrophobicContact CB-CB 3.76Å; C271-E294 VanDerWaalsContact CB-O 3.27Å; C271-E294 WeakPolarHBondContact CB-O 3.29Å; R272-E294 PolarHBondContact N-O 2.91Å; E294-V296 HydrophobicContact CB-CG2 4.31Å; E294-V296 HydrophobicContact CG-CG2 4.08Å; E294-V296 PolarHBondContact O-N 3.09Å
295	Q	97.9	Very high	95.9	Very high	52 Å²	52	55 Å²	55	24%	0.243	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	84.8	-174.5	-57.7	-59	-49.7	0	0	110.1	R272 F274 L293 R297	R272-Q295 VanDerWaalsContact CZ-OE1 3.25Å; F274-Q295 HydrophobicContact CE1-CB 3.92Å; F274-Q295 HydrophobicContact CZ-CB 4.46Å; L293-Q295 PolarHBondContact O-N 2.85Å; L293-Q295 PolarHBondContact O-NE2 2.73Å; Q295-R297 PolarHBondContact O-N 2.96Å
296	V	98.3	Very high	96	Very high	9 Å²	9	55.2 Å²	55.2	6%	0.055	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	105.9	-173.5	-173	0	0	0	0	110.4	I251 F253 L263 I265 C271 R272 L273 F274 E294	I251-V296 HydrophobicContact CD1-CG2 4.33Å; F253-V296 HydrophobicContact CE2-CG1 3.83Å; F253-V296 HydrophobicContact CZ-CG1 3.67Å; L263-V296 HydrophobicContact CD1-CG1 4.16Å; L263-V296 HydrophobicContact CD2-CG1 3.98Å; I265-V296 HydrophobicContact CG2-CG2 4.02Å; C271-V296 HydrophobicContact CB-CG2 3.84Å; R272-V296 PolarHBondContact O-N 2.68Å; R272-V296 VanDerWaalsContact O-O 3.14Å; L273-V296 WeakPolarHBondContact CA-O 2.98Å; L273-V296 HydrophobicContact CD2-CB 3.94Å; L273-V296 HydrophobicContact CD2-CG1 4.13Å; F274-V296 PolarHBondContact N-O 2.99Å; F274-V296 VanDerWaalsContact N-O 3.08Å; E294-V296 HydrophobicContact CB-CG2 4.31Å; E294-V296 HydrophobicContact CG-CG2 4.08Å; E294-V296 PolarHBondContact O-N 3.09Å
297	R	98.4	Very high	96	Very high	80 Å²	80	53.6 Å²	53.6	30%	0.302	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	139.1	178.2	-156.7	-156.9	-171.3	81.7	4.4	112.1	F274 Y275 S276 Q295	F274-R297 HydrophobicContact CE1-CB 4.42Å; F274-R297 CarbonylContact O-C 3.58Å; F274-R297 VanDerWaalsContact O-CA 3.31Å; F274-R297 WeakPolarHBondContact O-CA 3.49Å; Y275-R297 HydrophobicContact CD2-CG 4.19Å; S276-R297 VanDerWaalsContact C-NH2 3.27Å; S276-R297 PolarHBondContact O-NH1 3.43Å; S276-R297 PolarHBondContact O-NH2 3.34Å; Q295-R297 PolarHBondContact O-N 2.96Å
298	F	98.6	Very high	95.9	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.009	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-60.1	143.8	162.8	-81.7	-100.1	0	0	0	111.1	F253 Y255 L273 F274 Y275 L317 L320 F398 I413 V415	F253-F298 AromaticContact CD1-CD1 3.48Å; F253-F298 HydrophobicContact CD1-CD1 3.48Å; F253-F298 VanDerWaalsContact CD1-CD1 3.48Å; F253-F298 AromaticContact CD1-CE1 3.61Å; F253-F298 HydrophobicContact CD1-CE1 3.61Å; F253-F298 HydrophobicContact CD1-CG 4.02Å; F253-F298 HydrophobicContact CD1-CZ 4.27Å; F253-F298 AromaticContact CE1-CD1 3.65Å; F253-F298 HydrophobicContact CE1-CD1 3.65Å; F253-F298 AromaticContact CE1-CD2 3.99Å; F253-F298 HydrophobicContact CE1-CD2 3.99Å; F253-F298 AromaticContact CE1-CE1 3.71Å; F253-F298 HydrophobicContact CE1-CE1 3.71Å; F253-F298 HydrophobicContact CE1-CE2 4.06Å; F253-F298 AromaticContact CE1-CG 3.79Å; F253-F298 HydrophobicContact CE1-CG 3.79Å; F253-F298 AromaticContact CE1-CZ 3.92Å; F253-F298 HydrophobicContact CE1-CZ 3.92Å; Y255-F298 HydrophobicContact CE1-CD1 4.49Å; L273-F298 HydrophobicContact CB-CE2 3.85Å; L273-F298 HydrophobicContact CB-CZ 4.48Å; F274-F298 WeakPolarHBondContact O-CD2 3.19Å; F274-F298 PolarHBondContact O-N 2.95Å; Y275-F298 HydrophobicContact CD2-CB 3.94Å; Y275-F298 WeakPolarHBondContact CD2-O 3.36Å; F298-L317 HydrophobicContact CB-CD2 3.71Å; F298-L317 HydrophobicContact CD1-CD2 4.13Å; F298-L317 HydrophobicContact CG-CD2 3.91Å; F298-L320 HydrophobicContact CE2-CD1 4.28Å; F298-L320 HydrophobicContact CZ-CD1 4.41Å; F298-F398 HydrophobicContact CE1-CD2 4.44Å; F298-F398 HydrophobicContact CE1-CE2 4.47Å; F298-F398 HydrophobicContact CE2-CE1 4.35Å; F298-F398 HydrophobicContact CE2-CZ 4.41Å; F298-F398 HydrophobicContact CZ-CD1 4.14Å; F298-F398 HydrophobicContact CZ-CD2 4.09Å; F298-F398 AromaticContact CZ-CE1 3.87Å; F298-F398 HydrophobicContact CZ-CE1 3.87Å; F298-F398 AromaticContact CZ-CE2 3.83Å; F298-F398 HydrophobicContact CZ-CE2 3.83Å; F298-F398 HydrophobicContact CZ-CG 4.25Å; F298-F398 AromaticContact CZ-CZ 3.71Å; F298-F398 HydrophobicContact CZ-CZ 3.71Å; F298-I413 HydrophobicContact CD1-CG2 4.09Å; F298-I413 HydrophobicContact CE1-CG2 3.52Å; F298-I413 HydrophobicContact CZ-CG2 4.43Å; F298-V415 HydrophobicContact CE1-CG2 3.61Å; F298-V415 HydrophobicContact CZ-CG2 3.78Å
299	P	97.3	Very high	95.9	Very high	26 Å²	26	52.1 Å²	52.1	17%	0.169	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-61.6	153.9	175.8	-22.7	33.4	0	0	0	113.3	F253 Y255 R261	F253-P299 HydrophobicContact CB-CG 4.06Å; F253-P299 HydrophobicContact CG-CG 4.27Å; Y255-P299 HydrophobicContact CE2-CB 4.32Å; Y255-P299 PolarHBondContact OH-O 3.29Å; R261-P299 HydrophobicContact CB-CG 4.32Å
300	S	95.9	Very high	96	Very high	43 Å²	43	55.2 Å²	55.2	30%	0.301	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-61.6	137.2	171.2	178.5	0	0	0	0	111.1	E302	S300-E302 VanDerWaalsContact C-N 3.26Å; S300-E302 PolarHBondContact O-N 3.39Å; S300-E302 VanDerWaalsContact OG-CD 3.26Å; S300-E302 VanDerWaalsContact OG-CG 3.29Å; S300-E302 WeakPolarHBondContact OG-CG 3.14Å; S300-E302 PolarHBondContact OG-N 3Å; S300-E302 PolarHBondContact OG-OE1 2.94Å
301	P	96.1	Very high	96.1	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.013	30%	0.297	C	S	.	.	S	Bend	trans	-82.2	4.9	175	35.8	-37.7	0	0	0	113.7	Y255 D303 I304 R310 T313 N314 L317	Y255-P301 HydrophobicContact CE2-CB 4.37Å; P301-D303 VanDerWaalsContact C-N 3.26Å; P301-D303 PolarHBondContact O-N 2.87Å; P301-I304 HydrophobicContact CB-CD1 3.78Å; P301-I304 HydrophobicContact CB-CG1 4.42Å; P301-I304 VanDerWaalsContact O-CB 3.28Å; P301-I304 WeakPolarHBondContact O-CB 3.38Å; P301-I304 WeakPolarHBondContact O-CG1 3.33Å; P301-I304 PolarHBondContact O-N 3.3Å; P301-R310 HydrophobicContact CB-CG 4.41Å; P301-R310 VanDerWaalsContact O-CD 3.27Å; P301-R310 WeakPolarHBondContact O-CD 3.39Å; P301-R310 WeakPolarHBondContact O-CG 3.42Å; P301-T313 HydrophobicContact CB-CG2 3.79Å; P301-N314 WeakPolarHBondContact CG-ND2 3.38Å; P301-N314 VanDerWaalsContact CG-OD1 3.31Å; P301-N314 WeakPolarHBondContact CG-OD1 3.42Å; P301-L317 HydrophobicContact CB-CD1 4.22Å; P301-L317 HydrophobicContact CG-CD1 3.81Å
302	E	94.3	Very high	96.2	Very high	152 Å²	152	56.3 Å²	56.3	71%	0.71	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-41.1	-179.9	-79	161.4	-112.6	0	0	113.4	S300 I304	S300-E302 VanDerWaalsContact C-N 3.26Å; S300-E302 PolarHBondContact O-N 3.39Å; S300-E302 VanDerWaalsContact OG-CD 3.26Å; S300-E302 VanDerWaalsContact OG-CG 3.29Å; S300-E302 WeakPolarHBondContact OG-CG 3.14Å; S300-E302 PolarHBondContact OG-N 3Å; S300-E302 PolarHBondContact OG-OE1 2.94Å; E302-I304 PolarHBondContact O-N 3.45Å; E302-I304 VanDerWaalsContact O-N 3.1Å
303	D	92	Very high	96.3	Very high	86 Å²	86	53.3 Å²	53.3	46%	0.46	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-8.7	179.1	-66.5	-31.9	0	0	0	114.3	R258 R261 P301 P305	R258-D303 PolarHBondContact NE-O 2.77Å; R258-D303 PolarHBondContact NH2-O 2.88Å; R261-D303 IonicContact CZ-OD2 3.75Å; R261-D303 IonicContact NH2-OD2 2.67Å; R261-D303 PolarHBondContact NH2-OD2 3.11Å; P301-D303 VanDerWaalsContact C-N 3.26Å; P301-D303 PolarHBondContact O-N 2.87Å; D303-P305 WeakPolarHBondContact O-CD 3.41Å
304	I	95.9	Very high	96.3	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.277	C	S	.	.			trans	-73	117.9	179.1	-62.9	176.9	0	0	0	108.7	Y255 R258 P301 E302 Q309 R310 T313	Y255-I304 HydrophobicContact CD2-CD1 3.93Å; Y255-I304 HydrophobicContact CD2-CG1 4.37Å; Y255-I304 HydrophobicContact CG-CD1 4.13Å; R258-I304 HydrophobicContact CG-CG1 4.16Å; P301-I304 HydrophobicContact CB-CD1 3.78Å; P301-I304 HydrophobicContact CB-CG1 4.42Å; P301-I304 VanDerWaalsContact O-CB 3.28Å; P301-I304 WeakPolarHBondContact O-CB 3.38Å; P301-I304 WeakPolarHBondContact O-CG1 3.33Å; P301-I304 PolarHBondContact O-N 3.3Å; E302-I304 PolarHBondContact O-N 3.45Å; E302-I304 VanDerWaalsContact O-N 3.1Å; I304-Q309 HydrophobicContact CG2-CB 3.91Å; I304-Q309 VanDerWaalsContact CG2-CD 3.4Å; I304-Q309 HydrophobicContact CG2-CG 3.82Å; I304-R310 HydrophobicContact CB-CB 4.02Å; I304-R310 HydrophobicContact CB-CG 4.3Å; I304-R310 HydrophobicContact CG2-CB 3.98Å; I304-R310 PolarHBondContact O-NH1 3.41Å; I304-T313 HydrophobicContact CD1-CG2 3.84Å
305	P	92.1	Very high	96.2	Very high	95 Å²	95	54.8 Å²	54.8	62%	0.617	27%	0.273	S	S	*	.			trans	-74.7	-34.4	-172.4	28.9	-34.6	0	0	0	112.9	D303 E307	D303-P305 WeakPolarHBondContact O-CD 3.41Å; P305-E307 PolarHBondContact O-N 3.02Å
306	S	95.8	Very high	96.2	Very high	54 Å²	54	52.9 Å²	52.9	38%	0.378	26%	0.264	S	S	.	.			trans	-74.8	114.3	177.1	171.2	0	0	0	0	110.3	K308 Q309 R310	S306-K308 VanDerWaalsContact C-N 3.29Å; S306-K308 PolarHBondContact O-N 2.67Å; S306-Q309 PolarHBondContact O-N 2.73Å; S306-Q309 PolarHBondContact OG-N 2.68Å; S306-R310 WeakPolarHBondContact O-CB 3.34Å; S306-R310 PolarHBondContact O-N 3.45Å
307	E	94.3	Very high	96.2	Very high	143 Å²	143	52.5 Å²	52.5	67%	0.668	26%	0.262	S	S	*	.	H	α-helix	trans	-61.6	-37.9	179.9	-52.9	-163	135.1	0	0	112.3	P305 R310 F311	P305-E307 PolarHBondContact O-N 3.02Å; E307-R310 PolarHBondContact O-N 3.07Å; E307-R310 IonicContact OE1-NH2 2.74Å; E307-F311 WeakPolarHBondContact O-CB 3.47Å; E307-F311 PolarHBondContact O-N 2.93Å
308	K	92.9	Very high	96.2	Very high	46 Å²	46	54.3 Å²	54.3	20%	0.2	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-44.1	176.1	178.9	177.5	169.3	-177.9	0	111.5	E146 S306 Y312	E146-K308 PolarHBondContact O-NZ 2.85Å; E146-K308 WeakPolarHBondContact OE1-CD 3.47Å; E146-K308 IonicContact OE1-NZ 2.72Å; E146-K308 PolarHBondContact OE1-NZ 2.94Å; S306-K308 VanDerWaalsContact C-N 3.29Å; S306-K308 PolarHBondContact O-N 2.67Å; K308-Y312 HydrophobicContact CG-CD2 4.19Å; K308-Y312 HydrophobicContact CG-CE2 3.75Å; K308-Y312 WeakPolarHBondContact O-CD2 3.36Å; K308-Y312 PolarHBondContact O-N 3.24Å
309	Q	96.1	Very high	96.1	Very high	19 Å²	19	55.9 Å²	55.9	9%	0.089	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-49.9	173.8	-175.9	-167.1	-22.6	0	0	110.5	R256 I304 S306 F311 Y312 T313 L412	R256-Q309 PolarHBondContact O-NE2 2.88Å; I304-Q309 HydrophobicContact CG2-CB 3.91Å; I304-Q309 VanDerWaalsContact CG2-CD 3.4Å; I304-Q309 HydrophobicContact CG2-CG 3.82Å; S306-Q309 PolarHBondContact O-N 2.73Å; S306-Q309 PolarHBondContact OG-N 2.68Å; Q309-F311 VanDerWaalsContact C-N 3.26Å; Q309-F311 PolarHBondContact O-N 3.36Å; Q309-Y312 PolarHBondContact O-N 2.82Å; Q309-Y312 VanDerWaalsContact O-N 3.14Å; Q309-T313 PolarHBondContact O-N 2.83Å; Q309-T313 PolarHBondContact O-OG1 2.85Å; Q309-L412 HydrophobicContact CG-CD2 3.71Å
310	R	97.8	Very high	96.2	Very high	69 Å²	69	54.6 Å²	54.6	26%	0.26	28%	0.279	S	S	.	.	H	α-helix	trans	-58	-38.2	179.9	-171.2	169	67.6	-127.7	1.4	111.6	P301 I304 S306 E307 N314	P301-R310 HydrophobicContact CB-CG 4.41Å; P301-R310 VanDerWaalsContact O-CD 3.27Å; P301-R310 WeakPolarHBondContact O-CD 3.39Å; P301-R310 WeakPolarHBondContact O-CG 3.42Å; I304-R310 HydrophobicContact CB-CB 4.02Å; I304-R310 HydrophobicContact CB-CG 4.3Å; I304-R310 HydrophobicContact CG2-CB 3.98Å; I304-R310 PolarHBondContact O-NH1 3.41Å; S306-R310 WeakPolarHBondContact O-CB 3.34Å; S306-R310 PolarHBondContact O-N 3.45Å; E307-R310 PolarHBondContact O-N 3.07Å; E307-R310 IonicContact OE1-NH2 2.74Å; R310-N314 WeakPolarHBondContact O-CB 3.4Å; R310-N314 PolarHBondContact O-N 2.81Å; R310-N314 PolarHBondContact O-ND2 3.06Å
311	F	97.2	Very high	96.3	Very high	105 Å²	105	55 Å²	55	46%	0.461	28%	0.278	S	S	.	.	H	α-helix	trans	-59.8	-54.7	172.9	175.5	-97.7	0	0	0	111.6	E307 Q309 T313 N314 Q315	E307-F311 WeakPolarHBondContact O-CB 3.47Å; E307-F311 PolarHBondContact O-N 2.93Å; Q309-F311 VanDerWaalsContact C-N 3.26Å; Q309-F311 PolarHBondContact O-N 3.36Å; F311-T313 PolarHBondContact O-N 3.29Å; F311-N314 PolarHBondContact O-N 3.45Å; F311-Q315 HydrophobicContact CD1-CG 4.4Å; F311-Q315 HydrophobicContact CE1-CG 4Å; F311-Q315 HydrophobicContact CE2-CG 4.4Å; F311-Q315 HydrophobicContact CZ-CG 4Å; F311-Q315 WeakPolarHBondContact O-CG 3.45Å; F311-Q315 PolarHBondContact O-N 3.21Å
312	Y	96.7	Very high	96.4	Very high	37 Å²	37	57.5 Å²	57.5	15%	0.145	29%	0.287	C	S	.	.	H	α-helix	trans	-65.3	-37	179.4	-66.2	-56.3	0	0	0	113.1	L149 L153 K308 Q309 Q315 L316	L149-Y312 HydrophobicContact CB-CE2 4.24Å; L153-Y312 HydrophobicContact CB-CE1 4.48Å; L153-Y312 HydrophobicContact CD1-CD1 3.47Å; L153-Y312 VanDerWaalsContact CD1-CD1 3.47Å; L153-Y312 HydrophobicContact CD1-CE1 4.08Å; L153-Y312 HydrophobicContact CD1-CG 4.1Å; K308-Y312 HydrophobicContact CG-CD2 4.19Å; K308-Y312 HydrophobicContact CG-CE2 3.75Å; K308-Y312 WeakPolarHBondContact O-CD2 3.36Å; K308-Y312 PolarHBondContact O-N 3.24Å; Q309-Y312 PolarHBondContact O-N 2.82Å; Q309-Y312 VanDerWaalsContact O-N 3.14Å; Y312-Q315 PolarHBondContact O-N 3.03Å; Y312-L316 WeakPolarHBondContact O-CG 3.09Å; Y312-L316 PolarHBondContact O-N 2.85Å; Y312-L316 VanDerWaalsContact O-N 3.16Å
313	T	97.9	Very high	96.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-44.9	172.4	-61.5	0	0	0	0	111.1	Y255 P301 I304 Q309 F311 L316 L317 I413	Y255-T313 HydrophobicContact CD1-CG2 4.13Å; Y255-T313 HydrophobicContact CE1-CG2 3.95Å; P301-T313 HydrophobicContact CB-CG2 3.79Å; I304-T313 HydrophobicContact CD1-CG2 3.84Å; Q309-T313 PolarHBondContact O-N 2.83Å; Q309-T313 PolarHBondContact O-OG1 2.85Å; F311-T313 PolarHBondContact O-N 3.29Å; T313-L316 PolarHBondContact O-N 3.39Å; T313-L317 HydrophobicContact CG2-CD1 3.96Å; T313-L317 HydrophobicContact CG2-CG 4.46Å; T313-L317 WeakPolarHBondContact O-CG 3.34Å; T313-L317 PolarHBondContact O-N 3Å; T313-I413 HydrophobicContact CG2-CD1 3.95Å; T313-I413 HydrophobicContact CG2-CG1 4.05Å
314	N	97.9	Very high	96.9	Very high	61 Å²	61	46.1 Å²	46.1	33%	0.326	23%	0.231	S	C	.	.	H	α-helix	trans	-61.9	-44	174.6	-82.7	-72.4	0	0	0	112.1	P301 R310 F311 L316 L317 D318	P301-N314 WeakPolarHBondContact CG-ND2 3.38Å; P301-N314 VanDerWaalsContact CG-OD1 3.31Å; P301-N314 WeakPolarHBondContact CG-OD1 3.42Å; R310-N314 WeakPolarHBondContact O-CB 3.4Å; R310-N314 PolarHBondContact O-N 2.81Å; R310-N314 PolarHBondContact O-ND2 3.06Å; F311-N314 PolarHBondContact O-N 3.45Å; N314-L316 PolarHBondContact O-N 3.36Å; N314-L316 VanDerWaalsContact O-N 3.16Å; N314-L317 PolarHBondContact O-N 3.46Å; N314-D318 WeakPolarHBondContact O-CB 3.3Å; N314-D318 PolarHBondContact O-N 3.42Å
315	Q	97.3	Very high	97	Very high	68 Å²	68	46.5 Å²	46.5	32%	0.318	23%	0.233	S	C	.	.	H	α-helix	trans	-57.7	-29	176.5	-72.5	-60.6	123	0	0	113.5	F311 Y312	F311-Q315 HydrophobicContact CD1-CG 4.4Å; F311-Q315 HydrophobicContact CE1-CG 4Å; F311-Q315 HydrophobicContact CE2-CG 4.4Å; F311-Q315 HydrophobicContact CZ-CG 4Å; F311-Q315 WeakPolarHBondContact O-CG 3.45Å; F311-Q315 PolarHBondContact O-N 3.21Å; Y312-Q315 PolarHBondContact O-N 3.03Å
316	L	98.1	Very high	97.3	Very high	13 Å²	13	42 Å²	42	7%	0.068	20%	0.203	C	C	.	.	H	α-helix	trans	-82.8	-34.6	174.9	-67.4	177.7	0	0	0	112.8	Y312 T313 N314 V319 L320 L412 I413	Y312-L316 WeakPolarHBondContact O-CG 3.09Å; Y312-L316 PolarHBondContact O-N 2.85Å; Y312-L316 VanDerWaalsContact O-N 3.16Å; T313-L316 PolarHBondContact O-N 3.39Å; N314-L316 PolarHBondContact O-N 3.36Å; N314-L316 VanDerWaalsContact O-N 3.16Å; L316-V319 VanDerWaalsContact O-CG2 3.28Å; L316-V319 WeakPolarHBondContact O-CG2 3.37Å; L316-V319 PolarHBondContact O-N 3.45Å; L316-L320 WeakPolarHBondContact O-CD1 3.49Å; L316-L320 WeakPolarHBondContact O-CG 3.27Å; L316-L412 HydrophobicContact CD1-CB 4.41Å; L316-L412 HydrophobicContact CD1-CD1 4.1Å; L316-I413 HydrophobicContact CB-CD1 3.7Å; L316-I413 HydrophobicContact CD1-CD1 4.08Å; L316-I413 HydrophobicContact CD1-CG1 4.37Å
317	L	98.2	Very high	97.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-70.2	-33.2	175.4	-68.7	170.9	0	0	0	112.4	Y275 F298 P301 T313 N314 V319 L320 I413	Y275-L317 HydrophobicContact CD1-CB 3.67Å; Y275-L317 HydrophobicContact CD1-CG 4.49Å; Y275-L317 HydrophobicContact CD2-CD1 4.45Å; Y275-L317 HydrophobicContact CD2-CD2 4.12Å; Y275-L317 HydrophobicContact CE1-CB 4.07Å; Y275-L317 HydrophobicContact CE1-CD1 4.45Å; Y275-L317 HydrophobicContact CE2-CD1 4.32Å; Y275-L317 HydrophobicContact CG-CB 3.96Å; Y275-L317 HydrophobicContact CG-CD2 3.97Å; Y275-L317 HydrophobicContact CG-CG 4.38Å; F298-L317 HydrophobicContact CB-CD2 3.71Å; F298-L317 HydrophobicContact CD1-CD2 4.13Å; F298-L317 HydrophobicContact CG-CD2 3.91Å; P301-L317 HydrophobicContact CB-CD1 4.22Å; P301-L317 HydrophobicContact CG-CD1 3.81Å; T313-L317 HydrophobicContact CG2-CD1 3.96Å; T313-L317 HydrophobicContact CG2-CG 4.46Å; T313-L317 WeakPolarHBondContact O-CG 3.34Å; T313-L317 PolarHBondContact O-N 3Å; N314-L317 PolarHBondContact O-N 3.46Å; L317-V319 PolarHBondContact O-N 3.07Å; L317-L320 HydrophobicContact CD2-CD1 4.11Å; L317-L320 WeakPolarHBondContact O-CB 3.5Å; L317-L320 PolarHBondContact O-N 3Å; L317-L320 VanDerWaalsContact O-N 3.12Å; L317-I413 HydrophobicContact CD2-CD1 4.2Å; L317-I413 HydrophobicContact CG-CD1 4.12Å
318	D	97.2	Very high	97.4	Very high	117 Å²	117	36.1 Å²	36.1	63%	0.626	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-8.1	175.9	-162.4	62.9	0	0	0	113.8	N314	N314-D318 WeakPolarHBondContact O-CB 3.3Å; N314-D318 PolarHBondContact O-N 3.42Å
319	V	97.9	Very high	97.4	Very high	35 Å²	35	39.2 Å²	39.2	21%	0.212	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	21.1	174.1	-66.3	0	0	0	0	112.4	L316 L317 Q340 C341	L316-V319 VanDerWaalsContact O-CG2 3.28Å; L316-V319 WeakPolarHBondContact O-CG2 3.37Å; L316-V319 PolarHBondContact O-N 3.45Å; L317-V319 PolarHBondContact O-N 3.07Å; V319-Q340 HydrophobicContact CB-CB 4.09Å; V319-Q340 HydrophobicContact CB-CG 4.21Å; V319-Q340 HydrophobicContact CG1-CG 4.33Å; V319-Q340 PolarHBondContact O-N 2.64Å; V319-C341 HydrophobicContact CG2-CB 3.95Å; V319-C341 PolarHBondContact O-N 2.68Å; V319-C341 VanDerWaalsContact O-N 3.08Å
320	L	98.3	Very high	97.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.			trans	-111.5	10.7	-179.1	-88	167.3	0	0	0	114.6	Y275 F298 L316 L317 R322 G323 C339 C341 F398	Y275-L320 PolarHBondContact N-O 2.87Å; F298-L320 HydrophobicContact CE2-CD1 4.28Å; F298-L320 HydrophobicContact CZ-CD1 4.41Å; L316-L320 WeakPolarHBondContact O-CD1 3.49Å; L316-L320 WeakPolarHBondContact O-CG 3.27Å; L317-L320 HydrophobicContact CD2-CD1 4.11Å; L317-L320 WeakPolarHBondContact O-CB 3.5Å; L317-L320 PolarHBondContact O-N 3Å; L317-L320 VanDerWaalsContact O-N 3.12Å; L320-R322 PolarHBondContact O-N 2.69Å; L320-G323 WeakPolarHBondContact O-CA 3.35Å; L320-G323 PolarHBondContact O-N 3.46Å; L320-C339 HydrophobicContact CD2-CB 3.73Å; L320-C341 HydrophobicContact CD2-CB 3.88Å; L320-C341 HydrophobicContact CG-CB 3.81Å; L320-F398 HydrophobicContact CD1-CD1 4.1Å; L320-F398 HydrophobicContact CD2-CD1 3.74Å; L320-F398 HydrophobicContact CD2-CE1 3.91Å
321	D	97.5	Very high	96.6	Very high	51 Å²	51	42.5 Å²	42.5	27%	0.273	23%	0.225	S	C	.	.	S	Bend	trans	-58.1	-45.8	-174.8	-56.6	-105.1	0	0	0	114.3	R272 Y275 S276 F288 G323	R272-D321 PolarHBondContact NH1-O 2.83Å; Y275-D321 WeakPolarHBondContact O-CA 3.35Å; Y275-D321 PolarHBondContact O-N 2.96Å; S276-D321 WeakPolarHBondContact CB-OD1 3.16Å; S276-D321 PolarHBondContact OG-OD1 3.47Å; F288-D321 HydrophobicContact CE1-CB 4.31Å; D321-G323 VanDerWaalsContact C-N 3.29Å
322	R	98.2	Very high	96.6	Very high	54 Å²	54	39 Å²	39	20%	0.204	21%	0.211	C	C	.	.	S	Bend	trans	-69.7	-28.7	176.2	-59.6	-177.3	67.6	-158	13.7	112	R272 E286 L287 L320 L338 E363	R272-R322 WeakPolarHBondContact CD-O 3.44Å; R272-R322 PolarHBondContact NH1-O 2.88Å; R272-R322 VanDerWaalsContact NH1-O 3.08Å; E286-R322 PolarHBondContact O-NH2 3.21Å; L287-R322 VanDerWaalsContact O-CB 3.32Å; L287-R322 WeakPolarHBondContact O-CB 3.42Å; L287-R322 WeakPolarHBondContact O-CG 3.43Å; L287-R322 PolarHBondContact O-NE 3.28Å; L320-R322 PolarHBondContact O-N 2.69Å; R322-L338 HydrophobicContact CB-CB 3.63Å; R322-L338 WeakPolarHBondContact CD-O 3.49Å; R322-L338 PolarHBondContact NH1-O 3.03Å; R322-E363 IonicContact CZ-OE1 3.87Å; R322-E363 VanDerWaalsContact CZ-OE1 3.28Å; R322-E363 IonicContact NH1-OE1 2.68Å; R322-E363 PolarHBondContact NH1-OE1 2.87Å; R322-E363 IonicContact NH2-OE1 3.14Å; R322-E363 PolarHBondContact NH2-OE1 2.93Å
323	G	98.4	Very high	96.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.204	C	C	.	.			trans	74.6	-169.6	173.5	0	0	0	0	0	117	L273 L320 D321 L338 C339	L273-G323 CarbonylContact O-C 3.51Å; L273-G323 WeakPolarHBondContact O-CA 3.45Å; L320-G323 WeakPolarHBondContact O-CA 3.35Å; L320-G323 PolarHBondContact O-N 3.46Å; D321-G323 VanDerWaalsContact C-N 3.29Å; G323-L338 PolarHBondContact O-N 2.98Å; G323-C339 WeakPolarHBondContact O-CB 3.34Å; G323-C339 PolarHBondContact O-N 3.24Å; G323-C339 PolarHBondContact O-SG 3.14Å
324	L	98.9	Very high	96.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.6	172.4	177.2	71.7	0	0	0	108.5	R272 L273 L326 A335 R337 V343 I360 F396 F398	R272-L324 CarbonylContact C-O 3.56Å; R272-L324 WeakPolarHBondContact CA-O 3.16Å; L273-L324 HydrophobicContact CB-CB 4.5Å; L273-L324 HydrophobicContact CD1-CD2 4.47Å; L273-L324 PolarHBondContact N-O 3.1Å; L273-L324 PolarHBondContact O-N 3.39Å; L324-L326 HydrophobicContact CD2-CD2 4.1Å; L324-L326 HydrophobicContact CG-CD2 4.28Å; L324-A335 HydrophobicContact CD1-CB 4.12Å; L324-R337 HydrophobicContact CD1-CB 3.9Å; L324-V343 HydrophobicContact CD2-CG1 4.08Å; L324-I360 HydrophobicContact CD1-CD1 4.19Å; L324-F396 HydrophobicContact CD2-CD1 4Å; L324-F396 HydrophobicContact CD2-CE1 4.06Å; L324-F396 HydrophobicContact CD2-CG 4.26Å; L324-F396 HydrophobicContact CD2-CZ 4.35Å; L324-F398 HydrophobicContact CB-CE1 4.25Å; L324-F398 HydrophobicContact CB-CZ 4.38Å; L324-F398 HydrophobicContact CD2-CE1 4.28Å; L324-F398 HydrophobicContact CD2-CZ 3.76Å
325	I	98.9	Very high	96.8	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.1	173	-65	171.3	0	0	0	108.9	C271 R272 L293 Q327 A335 I336 L338	C271-I325 CarbonylContact O-C 3.56Å; C271-I325 WeakPolarHBondContact O-CA 3.49Å; R272-I325 HydrophobicContact CB-CG1 4.31Å; R272-I325 HydrophobicContact CG-CG1 4.03Å; L293-I325 HydrophobicContact CD1-CB 4.3Å; L293-I325 HydrophobicContact CD1-CD1 3.87Å; L293-I325 HydrophobicContact CD1-CG1 3.77Å; L293-I325 HydrophobicContact CD1-CG2 3.66Å; L293-I325 HydrophobicContact CD2-CG2 4.44Å; I325-Q327 HydrophobicContact CG2-CB 4.11Å; I325-A335 CarbonylContact O-C 3.59Å; I325-A335 VanDerWaalsContact O-CA 3.27Å; I325-A335 WeakPolarHBondContact O-CA 3.31Å; I325-I336 HydrophobicContact CB-CB 4.25Å; I325-I336 PolarHBondContact N-O 3.45Å; I325-I336 PolarHBondContact O-N 3.41Å; I325-L338 HydrophobicContact CD1-CD1 3.68Å; I325-L338 HydrophobicContact CD1-CG 4.26Å; I325-L338 HydrophobicContact CG1-CD1 4.34Å
326	L	98.8	Very high	96.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	106.9	166.6	-56.8	177.3	0	0	0	107	G270 C271 L273 L324 L333 Y334 A335 L368 F396 V417	G270-L326 CarbonylContact C-O 3.54Å; G270-L326 VanDerWaalsContact CA-O 3.27Å; G270-L326 WeakPolarHBondContact CA-O 3.23Å; C271-L326 PolarHBondContact N-O 2.97Å; C271-L326 PolarHBondContact O-N 2.92Å; L273-L326 HydrophobicContact CD1-CD1 3.97Å; L273-L326 HydrophobicContact CD2-CD1 4.43Å; L273-L326 HydrophobicContact CG-CD1 4.18Å; L324-L326 HydrophobicContact CD2-CD2 4.1Å; L324-L326 HydrophobicContact CG-CD2 4.28Å; L326-L333 HydrophobicContact CB-CD1 4.49Å; L326-Y334 CarbonylContact C-O 3.52Å; L326-Y334 WeakPolarHBondContact CA-O 3.21Å; L326-A335 HydrophobicContact CD2-CB 4.36Å; L326-L368 HydrophobicContact CD2-CD1 3.79Å; L326-F396 HydrophobicContact CD1-CE2 4.31Å; L326-F396 HydrophobicContact CD2-CE1 4.48Å; L326-F396 HydrophobicContact CD2-CE2 3.99Å; L326-F396 HydrophobicContact CD2-CZ 3.63Å; L326-V417 HydrophobicContact CD1-CG1 4.33Å; L326-V417 HydrophobicContact CD1-CG2 3.82Å
327	Q	97.6	Very high	96.8	Very high	44 Å²	44	35.2 Å²	35.2	21%	0.206	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.8	-175.4	67.4	-176.8	-25.2	0	0	111.1	Q269 I325 Y334	Q269-Q327 WeakPolarHBondContact O-CA 3.22Å; I325-Q327 HydrophobicContact CG2-CB 4.11Å; Q327-Y334 PolarHBondContact N-O 2.89Å; Q327-Y334 PolarHBondContact O-N 3.45Å
328	L	93.8	Very high	96.9	Very high	30 Å²	30	35.8 Å²	35.8	16%	0.157	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	138.1	168.2	-70.7	164.8	0	0	0	109.7	T247 D332 L333	T247-L328 HydrophobicContact CG2-CD1 4.32Å; L328-D332 WeakPolarHBondContact CA-O 3.3Å; L328-L333 HydrophobicContact CD2-CB 4.31Å; L328-L333 HydrophobicContact CD2-CD1 3.75Å; L328-L333 HydrophobicContact CG-CD1 4.02Å
329	Q	93.6	Very high	96.9	Very high	111 Å²	111	30.2 Å²	30.2	52%	0.519	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	105	168.1	-176.1	177.9	13.1	0	0	108.5	Q331 D332 Y334	Q329-Q331 PolarHBondContact O-N 3.31Å; Q329-D332 PolarHBondContact N-O 3.28Å; Q329-D332 PolarHBondContact O-N 3.41Å; Q329-Y334 HydrophobicContact CB-CD2 4.15Å; Q329-Y334 HydrophobicContact CB-CE2 3.95Å
330	G	89.3	Confident	96.9	Very high	76 Å²	76	35.5 Å²	35.5	78%	0.784	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	-121.2	-164.3	0	0	0	0	0	109.4
331	Q	88.1	Confident	96.9	Very high	82 Å²	82	35.7 Å²	35.7	38%	0.383	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	11.8	177.5	-58.7	173.3	-12.9	0	0	112.7	Q329 L371	Q329-Q331 PolarHBondContact O-N 3.31Å; Q331-L371 HydrophobicContact CB-CB 3.77Å; Q331-L371 HydrophobicContact CB-CD2 4Å; Q331-L371 HydrophobicContact CG-CD2 4.18Å; Q331-L371 WeakPolarHBondContact O-CB 3.27Å; Q331-L371 PolarHBondContact O-N 3.08Å
332	D	96	Very high	97	Very high	30 Å²	30	39.2 Å²	39.2	16%	0.16	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	143.2	173.9	-75.7	-22.4	0	0	0	110.9	L328 Q329 Y334 K367 S370	L328-D332 WeakPolarHBondContact CA-O 3.3Å; Q329-D332 PolarHBondContact N-O 3.28Å; Q329-D332 PolarHBondContact O-N 3.41Å; D332-Y334 HydrophobicContact CB-CD2 4.14Å; D332-Y334 HydrophobicContact CB-CE2 3.44Å; D332-Y334 VanDerWaalsContact CB-CE2 3.44Å; D332-Y334 PolarHBondContact OD2-OH 3.29Å; D332-K367 VanDerWaalsContact OD1-CE 3.27Å; D332-K367 WeakPolarHBondContact OD1-CE 3.44Å; D332-K367 IonicContact OD1-NZ 2.88Å; D332-K367 PolarHBondContact OD1-NZ 2.74Å; D332-K367 VanDerWaalsContact OD2-CE 3.3Å; D332-K367 WeakPolarHBondContact OD2-CE 3.34Å; D332-K367 IonicContact OD2-NZ 2.84Å; D332-K367 PolarHBondContact OD2-NZ 3.38Å; D332-S370 WeakPolarHBondContact OD1-CA 3.28Å; D332-S370 VanDerWaalsContact OD1-CB 3.23Å; D332-S370 WeakPolarHBondContact OD1-CB 3.24Å; D332-S370 PolarHBondContact OD1-OG 3.37Å
333	L	98.4	Very high	97	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.1	173.8	-171.2	68.5	0	0	0	110.7	L249 L326 L328 L368 F369 I394 V417	L249-L333 HydrophobicContact CD1-CD1 3.77Å; L249-L333 HydrophobicContact CD1-CD2 4.35Å; L249-L333 HydrophobicContact CD2-CD1 4.27Å; L249-L333 HydrophobicContact CD2-CD2 3.97Å; L326-L333 HydrophobicContact CB-CD1 4.49Å; L328-L333 HydrophobicContact CD2-CB 4.31Å; L328-L333 HydrophobicContact CD2-CD1 3.75Å; L328-L333 HydrophobicContact CG-CD1 4.02Å; L333-L368 HydrophobicContact CD2-CD1 4.32Å; L333-L368 HydrophobicContact CG-CD1 4.16Å; L333-L368 WeakPolarHBondContact O-CB 3.39Å; L333-L368 PolarHBondContact O-N 3.23Å; L333-F369 HydrophobicContact CB-CB 4.24Å; L333-F369 PolarHBondContact N-O 3.3Å; L333-F369 VanDerWaalsContact N-O 3.11Å; L333-F369 PolarHBondContact O-N 3.19Å; L333-I394 HydrophobicContact CD2-CD1 3.62Å; L333-V417 HydrophobicContact CD2-CG1 4.41Å
334	Y	98.8	Very high	97	Very high	39 Å²	39	37.1 Å²	37.1	15%	0.153	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.7	-178.5	-66.5	-98.5	0	0	0	112.7	L326 Q327 Q329 D332 K365 T366 K367	L326-Y334 CarbonylContact C-O 3.52Å; L326-Y334 WeakPolarHBondContact CA-O 3.21Å; Q327-Y334 PolarHBondContact N-O 2.89Å; Q327-Y334 PolarHBondContact O-N 3.45Å; Q329-Y334 HydrophobicContact CB-CD2 4.15Å; Q329-Y334 HydrophobicContact CB-CE2 3.95Å; D332-Y334 HydrophobicContact CB-CD2 4.14Å; D332-Y334 HydrophobicContact CB-CE2 3.44Å; D332-Y334 VanDerWaalsContact CB-CE2 3.44Å; D332-Y334 PolarHBondContact OD2-OH 3.29Å; Y334-K365 HydrophobicContact CD1-CD 4.02Å; Y334-K365 HydrophobicContact CD1-CG 3.58Å; Y334-K365 VanDerWaalsContact CD2-CE 3.5Å; Y334-K365 HydrophobicContact CE1-CD 4.44Å; Y334-K365 HydrophobicContact CE1-CG 4.29Å; Y334-K365 HydrophobicContact CG-CD 4.27Å; Y334-K365 HydrophobicContact CG-CG 4.04Å; Y334-T366 CarbonylContact C-O 3.49Å; Y334-T366 VanDerWaalsContact CA-O 3.23Å; Y334-T366 WeakPolarHBondContact CA-O 3.21Å; Y334-K367 VanDerWaalsContact CD1-CA 3.44Å; Y334-K367 HydrophobicContact CD1-CB 3.78Å; Y334-K367 HydrophobicContact CD1-CG 4.23Å; Y334-K367 HydrophobicContact CE1-CB 3.52Å; Y334-K367 HydrophobicContact CE1-CD 4.14Å; Y334-K367 HydrophobicContact CE1-CG 3.81Å
335	A	98.8	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	143.8	165.6	0	0	0	0	0	112	L324 I325 L326 I360 K365 T366 L368	L324-A335 HydrophobicContact CD1-CB 4.12Å; I325-A335 CarbonylContact O-C 3.59Å; I325-A335 VanDerWaalsContact O-CA 3.27Å; I325-A335 WeakPolarHBondContact O-CA 3.31Å; L326-A335 HydrophobicContact CD2-CB 4.36Å; A335-I360 HydrophobicContact CB-CD1 3.96Å; A335-I360 HydrophobicContact CB-CG2 4.41Å; A335-K365 WeakPolarHBondContact O-CA 3.36Å; A335-T366 PolarHBondContact N-O 3.46Å; A335-T366 PolarHBondContact O-N 2.91Å; A335-L368 HydrophobicContact CB-CD1 3.89Å; A335-L368 HydrophobicContact CB-CD2 3.9Å; A335-L368 HydrophobicContact CB-CG 4.08Å
336	I	98.8	Very high	96.8	Very high	36 Å²	36	38.7 Å²	38.7	19%	0.185	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	115.7	155.5	-58.2	172.3	0	0	0	107.9	I325 L338 K365	I325-I336 HydrophobicContact CB-CB 4.25Å; I325-I336 PolarHBondContact N-O 3.45Å; I325-I336 PolarHBondContact O-N 3.41Å; I336-L338 HydrophobicContact CG2-CD2 3.94Å; I336-K365 HydrophobicContact CG1-CB 4.17Å; I336-K365 HydrophobicContact CG1-CG 4.43Å
337	R	98.7	Very high	96.7	Very high	25 Å²	25	39.7 Å²	39.7	9%	0.094	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.7	177.4	177	-171.7	161.6	-137.2	-11.7	110.3	L324 C339 Q340 C341 V343 I360 R362 E363	L324-R337 HydrophobicContact CD1-CB 3.9Å; R337-C339 PolarHBondContact NE-O 3.38Å; R337-C339 PolarHBondContact NH2-O 3Å; R337-Q340 PolarHBondContact NH2-O 3.44Å; R337-C341 VanDerWaalsContact CZ-O 3.23Å; R337-C341 PolarHBondContact NE-O 3.39Å; R337-C341 PolarHBondContact NH2-O 2.92Å; R337-V343 HydrophobicContact CG-CG2 4.13Å; R337-I360 HydrophobicContact CB-CB 4.38Å; R337-I360 HydrophobicContact CB-CG2 3.77Å; R337-I360 VanDerWaalsContact CD-O 3.27Å; R337-I360 WeakPolarHBondContact CD-O 3.48Å; R337-I360 PolarHBondContact NH1-O 3.42Å; R337-R362 HydrophobicContact CG-CG 4.45Å; R337-R362 WeakPolarHBondContact O-CA 3.22Å; R337-R362 WeakPolarHBondContact O-CG 3.35Å; R337-E363 PolarHBondContact O-N 2.94Å
338	L	98.6	Very high	96.6	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.063	21%	0.212	C	C	.	.			trans	-108.7	-27.3	174	-57.4	-177.2	0	0	0	112.6	R322 G323 I325 I336 E363	R322-L338 HydrophobicContact CB-CB 3.63Å; R322-L338 WeakPolarHBondContact CD-O 3.49Å; R322-L338 PolarHBondContact NH1-O 3.03Å; G323-L338 PolarHBondContact O-N 2.98Å; I325-L338 HydrophobicContact CD1-CD1 3.68Å; I325-L338 HydrophobicContact CD1-CG 4.26Å; I325-L338 HydrophobicContact CG1-CD1 4.34Å; I336-L338 HydrophobicContact CG2-CD2 3.94Å; L338-E363 HydrophobicContact CD2-CG 3.92Å
339	C	98.4	Very high	96.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	21%	0.214	C	C	.	.	S	Bend	trans	-60.9	153.4	-179.4	57.3	0	0	0	0	114.5	L320 G323 R337 C341	L320-C339 HydrophobicContact CD2-CB 3.73Å; G323-C339 WeakPolarHBondContact O-CB 3.34Å; G323-C339 PolarHBondContact O-N 3.24Å; G323-C339 PolarHBondContact O-SG 3.14Å; R337-C339 PolarHBondContact NE-O 3.38Å; R337-C339 PolarHBondContact NH2-O 3Å; C339-C341 HydrophobicContact CB-CB 4.31Å; C339-C341 PolarHBondContact SG-O 2.74Å; C339-C341 VanDerWaalsContact SG-O 3.39Å
340	Q	98.1	Very high	96.7	Very high	145 Å²	145	34.9 Å²	34.9	68%	0.678	20%	0.201	S	C	*	.	S	Bend	trans	-70.9	-37.3	171.4	168.7	174	-11.3	0	0	110.8	V319 R337 K342	V319-Q340 HydrophobicContact CB-CB 4.09Å; V319-Q340 HydrophobicContact CB-CG 4.21Å; V319-Q340 HydrophobicContact CG1-CG 4.33Å; V319-Q340 PolarHBondContact O-N 2.64Å; R337-Q340 PolarHBondContact NH2-O 3.44Å; Q340-K342 PolarHBondContact O-N 3.46Å
341	C	98	Very high	96.4	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.034	20%	0.197	C	C	.	.	S	Bend	trans	-44.6	131.3	168.5	-166.8	0	0	0	0	111.1	V319 L320 R337 C339 G399	V319-C341 HydrophobicContact CG2-CB 3.95Å; V319-C341 PolarHBondContact O-N 2.68Å; V319-C341 VanDerWaalsContact O-N 3.08Å; L320-C341 HydrophobicContact CD2-CB 3.88Å; L320-C341 HydrophobicContact CG-CB 3.81Å; R337-C341 VanDerWaalsContact CZ-O 3.23Å; R337-C341 PolarHBondContact NE-O 3.39Å; R337-C341 PolarHBondContact NH2-O 2.92Å; C339-C341 HydrophobicContact CB-CB 4.31Å; C339-C341 PolarHBondContact SG-O 2.74Å; C339-C341 VanDerWaalsContact SG-O 3.39Å; C341-G399 PolarHBondContact SG-N 2.72Å; C341-G399 VanDerWaalsContact SG-N 3.36Å
342	K	98.4	Very high	95.4	Very high	125 Å²	125	39 Å²	39	54%	0.543	22%	0.222	S	C	.	.			trans	-71.2	137.9	169.4	-75.1	-177.8	177.4	178.3	0	108.5	Q340 F344 G399	Q340-K342 PolarHBondContact O-N 3.46Å; K342-F344 HydrophobicContact CB-CD2 4.29Å; K342-F344 HydrophobicContact CB-CE2 3.69Å; K342-F344 HydrophobicContact CB-CZ 4.44Å; K342-F344 HydrophobicContact CD-CE2 4.1Å; K342-F344 HydrophobicContact CD-CZ 4.11Å; K342-G399 PolarHBondContact O-N 2.95Å
343	V	98.8	Very high	93.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.3	173.3	-172.1	0	0	0	0	107.4	L324 R337 P359 I360 F396 C397 F398	L324-V343 HydrophobicContact CD2-CG1 4.08Å; R337-V343 HydrophobicContact CG-CG2 4.13Å; V343-P359 WeakPolarHBondContact O-CA 3.13Å; V343-I360 HydrophobicContact CB-CD1 4.3Å; V343-I360 HydrophobicContact CG1-CD1 3.9Å; V343-I360 PolarHBondContact O-N 3.37Å; V343-F396 HydrophobicContact CG1-CB 4.23Å; V343-F396 HydrophobicContact CG1-CD1 3.93Å; V343-F396 HydrophobicContact CG1-CG 4.48Å; V343-C397 WeakPolarHBondContact CA-O 3.14Å; V343-F398 HydrophobicContact CB-CE1 4.5Å; V343-F398 HydrophobicContact CG1-CD1 4.38Å; V343-F398 HydrophobicContact CG1-CE1 4.1Å; V343-F398 HydrophobicContact CG1-CE2 4.41Å; V343-F398 HydrophobicContact CG1-CZ 4.11Å; V343-F398 HydrophobicContact CG2-CD1 3.68Å; V343-F398 HydrophobicContact CG2-CE1 3.59Å; V343-F398 HydrophobicContact CG2-CZ 4.4Å
344	F	98	Very high	92.2	Very high	9 Å²	9	45.8 Å²	45.8	4%	0.039	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	152.2	175.7	-67.6	-96.3	0	0	0	109.3	K342 P357 N358 P359 F396 C397 E400 E401 W402	K342-F344 HydrophobicContact CB-CD2 4.29Å; K342-F344 HydrophobicContact CB-CE2 3.69Å; K342-F344 HydrophobicContact CB-CZ 4.44Å; K342-F344 HydrophobicContact CD-CE2 4.1Å; K342-F344 HydrophobicContact CD-CZ 4.11Å; F344-P357 HydrophobicContact CD1-CB 3.78Å; F344-P357 HydrophobicContact CE1-CB 3.6Å; F344-N358 VanDerWaalsContact CA-O 3.32Å; F344-N358 WeakPolarHBondContact CA-O 3.49Å; F344-P359 HydrophobicContact CD1-CB 3.85Å; F344-P359 HydrophobicContact CE1-CB 3.69Å; F344-P359 HydrophobicContact CE1-CG 4.2Å; F344-P359 HydrophobicContact CZ-CB 4.28Å; F344-F396 CarbonylContact O-C 3.58Å; F344-F396 WeakPolarHBondContact O-CA 3.43Å; F344-C397 HydrophobicContact CB-CB 4.4Å; F344-C397 PolarHBondContact N-O 3.24Å; F344-C397 PolarHBondContact O-N 2.99Å; F344-E400 WeakPolarHBondContact CD2-O 3.48Å; F344-E401 HydrophobicContact CE1-CB 4.35Å; F344-E401 HydrophobicContact CE1-CG 4.1Å; F344-E401 HydrophobicContact CE2-CG 4.26Å; F344-E401 HydrophobicContact CZ-CB 4.32Å; F344-E401 HydrophobicContact CZ-CG 3.74Å; F344-W402 HydrophobicContact CB-CB 3.75Å; F344-W402 WeakPolarHBondContact CB-O 3.25Å
345	W	97.8	Very high	91	Very high	8 Å²	8	47.7 Å²	47.7	3%	0.03	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	161.9	-171.8	78	-67.7	0	0	0	115.9	C349 A350 N358 I360 T366 K367 L368 I394 F395 F396	W345-C349 HydrophobicContact CH2-CB 4.44Å; W345-A350 HydrophobicContact CE3-CB 4.4Å; W345-A350 HydrophobicContact CH2-CB 3.82Å; W345-A350 HydrophobicContact CZ2-CB 4.08Å; W345-A350 HydrophobicContact CZ3-CB 3.98Å; W345-N358 VanDerWaalsContact CD1-ND2 3.33Å; W345-N358 PolarHBondContact N-O 3.43Å; W345-N358 PolarHBondContact NE1-ND2 3.24Å; W345-N358 PolarHBondContact NE1-OD1 3.05Å; W345-N358 WeakPolarHBondContact O-CB 3.41Å; W345-N358 PolarHBondContact O-ND2 2.91Å; W345-I360 HydrophobicContact CB-CD1 4.22Å; W345-I360 HydrophobicContact CB-CG1 4.4Å; W345-I360 HydrophobicContact CG-CD1 4.1Å; W345-I360 HydrophobicContact CG-CG1 3.97Å; W345-T366 HydrophobicContact CZ2-CG2 3.81Å; W345-K367 VanDerWaalsContact CH2-O 3.25Å; W345-K367 WeakPolarHBondContact CH2-O 3.11Å; W345-L368 HydrophobicContact CD2-CD2 3.84Å; W345-L368 HydrophobicContact CE3-CD2 3.52Å; W345-L368 HydrophobicContact CH2-CD2 3.92Å; W345-L368 HydrophobicContact CZ2-CD2 4.22Å; W345-L368 HydrophobicContact CZ3-CB 4.17Å; W345-L368 HydrophobicContact CZ3-CD2 3.57Å; W345-L368 HydrophobicContact CZ3-CG 4.48Å; W345-I394 HydrophobicContact CE3-CG2 4.16Å; W345-F395 CarbonylContact C-O 3.57Å; W345-F395 WeakPolarHBondContact CA-O 3.4Å; W345-F395 WeakPolarHBondContact CB-O 3.32Å; W345-F396 HydrophobicContact CB-CD1 3.67Å; W345-F396 HydrophobicContact CB-CE1 3.94Å
346	S	96.2	Very high	90.5	Very high	33 Å²	33	54 Å²	54	23%	0.231	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150.6	165.7	-58.9	0	0	0	0	109.3	F395 W402	S346-F395 PolarHBondContact N-O 3.38Å; S346-F395 PolarHBondContact O-N 3.49Å; S346-W402 PolarHBondContact OG-NE1 3.09Å
347	G	95.8	Very high	90.2	Very high	21 Å²	21	54.2 Å²	54.2	22%	0.216	32%	0.323	C	S	.	.	S	Bend	trans	167.2	-175.6	-177.5	0	0	0	0	0	111.4	C349 A350	G347-C349 PolarHBondContact O-N 3.18Å; G347-A350 WeakPolarHBondContact O-CB 3.5Å; G347-A350 PolarHBondContact O-N 3.46Å
348	P	95.9	Very high	90.1	Very high	26 Å²	26	54.5 Å²	54.5	17%	0.169	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-35.8	-165.7	-28.9	40.5	0	0	0	114.9	L368 F369 P391	P348-L368 WeakPolarHBondContact CD-O 3.31Å; P348-F369 HydrophobicContact CB-CD2 4.27Å; P348-F369 HydrophobicContact CG-CD2 4.03Å; P348-P391 HydrophobicContact CB-CG 4.26Å; P348-P391 HydrophobicContact CG-CB 4.18Å; P348-P391 HydrophobicContact CG-CG 4.24Å; P348-P391 WeakPolarHBondContact CG-O 3.42Å
349	C	96.3	Very high	90	Very high	31 Å²	31	56.2 Å²	56.2	21%	0.209	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	12.1	175.4	-59.1	0	0	0	0	114	W345 G347 K367 L368 F369	W345-C349 HydrophobicContact CH2-CB 4.44Å; G347-C349 PolarHBondContact O-N 3.18Å; C349-K367 HydrophobicContact CB-CG 4.32Å; C349-K367 WeakPolarHBondContact CB-O 3.3Å; C349-L368 WeakPolarHBondContact CB-O 3.45Å; C349-L368 PolarHBondContact N-O 3.22Å; C349-F369 VanDerWaalsContact SG-CA 3.59Å
350	A	93.8	Very high	90	Very high	28 Å²	28	56.2 Å²	56.2	23%	0.231	34%	0.338	C	S	.	.	S	Bend	trans	-71.8	133	175.7	0	0	0	0	0	110.2	W345 G347 A352	W345-A350 HydrophobicContact CE3-CB 4.4Å; W345-A350 HydrophobicContact CH2-CB 3.82Å; W345-A350 HydrophobicContact CZ2-CB 4.08Å; W345-A350 HydrophobicContact CZ3-CB 3.98Å; G347-A350 WeakPolarHBondContact O-CB 3.5Å; G347-A350 PolarHBondContact O-N 3.46Å; A350-A352 PolarHBondContact O-N 3.47Å
351	L	83.3	Confident	90	Very high	133 Å²	133	54.9 Å²	54.9	70%	0.696	33%	0.332	S	S	*	.			trans	-63.8	129.1	173.3	-65.3	174.3	0	0	0	109.3	Q353	L351-Q353 HydrophobicContact CB-CG 4.05Å; L351-Q353 PolarHBondContact O-N 3.14Å
352	A	66.3	Low	90	Very high	112 Å²	112	60.4 Å²	60.4	93%	0.926	35%	0.352	S	S	*	.			trans	-71	74.1	-180	0	0	0	0	0	111.9	A350 G354	A350-A352 PolarHBondContact O-N 3.47Å; A352-G354 VanDerWaalsContact C-N 3.29Å; A352-G354 PolarHBondContact O-N 3.36Å
353	Q	62.4	Low	90	Very high	107 Å²	107	59 Å²	59	50%	0.5	35%	0.347	S	S	.	.			trans	-92.6	28.4	-179.1	-62.8	-170.3	-7.3	0	0	112.9	L351 H356	L351-Q353 HydrophobicContact CB-CG 4.05Å; L351-Q353 PolarHBondContact O-N 3.14Å; Q353-H356 PolarHBondContact O-CD2 3.39Å; Q353-H356 VanDerWaalsContact O-CD2 3.25Å
354	G	65.1	Low	90	Very high	66 Å²	66	62.6 Å²	62.6	68%	0.68	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	-137.9	-179.2	0	0	0	0	0	112.8	A352 H356	A352-G354 VanDerWaalsContact C-N 3.29Å; A352-G354 PolarHBondContact O-N 3.36Å; G354-H356 VanDerWaalsContact C-N 3.3Å; G354-H356 PolarHBondContact O-N 3.35Å
355	S	74.7	Confident	90	Very high	79 Å²	79	65.9 Å²	65.9	55%	0.552	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	13.2	-179.7	52.7	0	0	0	0	114.2
356	H	87.3	Confident	90	Very high	131 Å²	131	66.9 Å²	66.9	61%	0.606	39%	0.39	S	S	*	.	S	Bend	trans	-78.6	143.1	179.4	-67.4	-57.1	0	0	0	112.2	Q353 G354 N358 P403	Q353-H356 PolarHBondContact O-CD2 3.39Å; Q353-H356 VanDerWaalsContact O-CD2 3.25Å; G354-H356 VanDerWaalsContact C-N 3.3Å; G354-H356 PolarHBondContact O-N 3.35Å; H356-N358 PolarHBondContact O-N 3.41Å; H356-P403 WeakPolarHBondContact O-CD 3.44Å
357	P	93.3	Very high	90.1	Very high	42 Å²	42	68.5 Å²	68.5	27%	0.273	39%	0.393	S	S	.	.			trans	-60.3	135.3	175.5	-24.5	34.3	0	0	0	112.7	F344 P359 E401 W402	F344-P357 HydrophobicContact CD1-CB 3.78Å; F344-P357 HydrophobicContact CE1-CB 3.6Å; P357-P359 WeakPolarHBondContact O-CD 3.36Å; P357-E401 HydrophobicContact CB-CB 3.96Å; P357-E401 HydrophobicContact CB-CG 4.32Å; P357-E401 HydrophobicContact CG-CB 3.81Å; P357-E401 HydrophobicContact CG-CG 4.21Å; P357-W402 CarbonylContact C-O 3.57Å; P357-W402 WeakPolarHBondContact CA-O 3.49Å
358	N	95.9	Very high	90.2	Very high	30 Å²	30	67.5 Å²	67.5	16%	0.16	38%	0.383	C	S	.	.			trans	-113	84.3	-176	176.2	25.5	0	0	0	110.9	F344 W345 H356 W402	F344-N358 VanDerWaalsContact CA-O 3.32Å; F344-N358 WeakPolarHBondContact CA-O 3.49Å; W345-N358 VanDerWaalsContact CD1-ND2 3.33Å; W345-N358 PolarHBondContact N-O 3.43Å; W345-N358 PolarHBondContact NE1-ND2 3.24Å; W345-N358 PolarHBondContact NE1-OD1 3.05Å; W345-N358 WeakPolarHBondContact O-CB 3.41Å; W345-N358 PolarHBondContact O-ND2 2.91Å; H356-N358 PolarHBondContact O-N 3.41Å; N358-W402 PolarHBondContact N-O 3.39Å
359	P	97.3	Very high	90.4	Very high	48 Å²	48	66.7 Å²	66.7	31%	0.312	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-79.6	137.7	-178.1	30.6	-34.8	0	0	0	112.9	V343 F344 P357 Q361	V343-P359 WeakPolarHBondContact O-CA 3.13Å; F344-P359 HydrophobicContact CD1-CB 3.85Å; F344-P359 HydrophobicContact CE1-CB 3.69Å; F344-P359 HydrophobicContact CE1-CG 4.2Å; F344-P359 HydrophobicContact CZ-CB 4.28Å; P357-P359 WeakPolarHBondContact O-CD 3.36Å; P359-Q361 PolarHBondContact O-N 3.01Å
360	I	98.1	Very high	90.4	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.005	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-74.3	121	167.4	-55	179.3	0	0	0	108.8	L324 A335 R337 V343 W345 F396	L324-I360 HydrophobicContact CD1-CD1 4.19Å; A335-I360 HydrophobicContact CB-CD1 3.96Å; A335-I360 HydrophobicContact CB-CG2 4.41Å; R337-I360 HydrophobicContact CB-CB 4.38Å; R337-I360 HydrophobicContact CB-CG2 3.77Å; R337-I360 VanDerWaalsContact CD-O 3.27Å; R337-I360 WeakPolarHBondContact CD-O 3.48Å; R337-I360 PolarHBondContact NH1-O 3.42Å; V343-I360 HydrophobicContact CB-CD1 4.3Å; V343-I360 HydrophobicContact CG1-CD1 3.9Å; V343-I360 PolarHBondContact O-N 3.37Å; W345-I360 HydrophobicContact CB-CD1 4.22Å; W345-I360 HydrophobicContact CB-CG1 4.4Å; W345-I360 HydrophobicContact CG-CD1 4.1Å; W345-I360 HydrophobicContact CG-CG1 3.97Å; I360-F396 HydrophobicContact CD1-CD1 3.94Å; I360-F396 HydrophobicContact CD1-CE1 3.71Å
361	Q	98	Very high	90.3	Very high	117 Å²	117	64.5 Å²	64.5	55%	0.547	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-67.4	136	175.5	-62.5	-59.2	-21.9	0	0	110.1	P359 V364	P359-Q361 PolarHBondContact O-N 3.01Å; Q361-V364 HydrophobicContact CB-CB 3.86Å; Q361-V364 HydrophobicContact CB-CG2 3.79Å; Q361-V364 PolarHBondContact O-N 3.25Å
362	R	98.3	Very high	90.7	Very high	122 Å²	122	64.5 Å²	64.5	46%	0.46	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-69.6	139.3	-177.5	-159.7	-177.1	72	-165.1	0.2	109.5	R337 V364	R337-R362 HydrophobicContact CG-CG 4.45Å; R337-R362 WeakPolarHBondContact O-CA 3.22Å; R337-R362 WeakPolarHBondContact O-CG 3.35Å; R362-V364 PolarHBondContact O-N 3.42Å
363	E	97.8	Very high	92	Very high	95 Å²	95	63 Å²	63	44%	0.444	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	12	-179.3	-69.1	133.8	173.9	0	0	114.6	R322 R337 L338	R322-E363 IonicContact CZ-OE1 3.87Å; R322-E363 VanDerWaalsContact CZ-OE1 3.28Å; R322-E363 IonicContact NH1-OE1 2.68Å; R322-E363 PolarHBondContact NH1-OE1 2.87Å; R322-E363 IonicContact NH2-OE1 3.14Å; R322-E363 PolarHBondContact NH2-OE1 2.93Å; R337-E363 PolarHBondContact O-N 2.94Å; L338-E363 HydrophobicContact CD2-CG 3.92Å
364	V	98.1	Very high	93.6	Very high	75 Å²	75	58.1 Å²	58.1	46%	0.455	31%	0.307	S	S	.	.			trans	-106.2	126.5	174.6	-179.7	0	0	0	0	110.7	Q361 R362 T366	Q361-V364 HydrophobicContact CB-CB 3.86Å; Q361-V364 HydrophobicContact CB-CG2 3.79Å; Q361-V364 PolarHBondContact O-N 3.25Å; R362-V364 PolarHBondContact O-N 3.42Å; V364-T366 PolarHBondContact O-N 3.34Å; V364-T366 PolarHBondContact O-OG1 2.91Å
365	K	98.1	Very high	94.8	Very high	79 Å²	79	55.6 Å²	55.6	34%	0.343	28%	0.278	S	S	.	.			trans	-68.8	115	174.6	-177.4	170	-177.6	155.3	0	110.6	Y334 A335 I336	Y334-K365 HydrophobicContact CD1-CD 4.02Å; Y334-K365 HydrophobicContact CD1-CG 3.58Å; Y334-K365 VanDerWaalsContact CD2-CE 3.5Å; Y334-K365 HydrophobicContact CE1-CD 4.44Å; Y334-K365 HydrophobicContact CE1-CG 4.29Å; Y334-K365 HydrophobicContact CG-CD 4.27Å; Y334-K365 HydrophobicContact CG-CG 4.04Å; A335-K365 WeakPolarHBondContact O-CA 3.36Å; I336-K365 HydrophobicContact CG1-CB 4.17Å; I336-K365 HydrophobicContact CG1-CG 4.43Å
366	T	98.4	Very high	95.5	Very high	29 Å²	29	56 Å²	56	18%	0.178	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.9	-176.5	-56.4	0	0	0	0	109.7	Y334 A335 W345 V364	Y334-T366 CarbonylContact C-O 3.49Å; Y334-T366 VanDerWaalsContact CA-O 3.23Å; Y334-T366 WeakPolarHBondContact CA-O 3.21Å; A335-T366 PolarHBondContact N-O 3.46Å; A335-T366 PolarHBondContact O-N 2.91Å; W345-T366 HydrophobicContact CZ2-CG2 3.81Å; V364-T366 PolarHBondContact O-N 3.34Å; V364-T366 PolarHBondContact O-OG1 2.91Å
367	K	98.5	Very high	95.7	Very high	67 Å²	67	52.8 Å²	52.8	29%	0.291	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131.3	177	-169.2	167.5	169.7	166.2	0	109.8	D332 Y334 W345 C349 S370	D332-K367 VanDerWaalsContact OD1-CE 3.27Å; D332-K367 WeakPolarHBondContact OD1-CE 3.44Å; D332-K367 IonicContact OD1-NZ 2.88Å; D332-K367 PolarHBondContact OD1-NZ 2.74Å; D332-K367 VanDerWaalsContact OD2-CE 3.3Å; D332-K367 WeakPolarHBondContact OD2-CE 3.34Å; D332-K367 IonicContact OD2-NZ 2.84Å; D332-K367 PolarHBondContact OD2-NZ 3.38Å; Y334-K367 VanDerWaalsContact CD1-CA 3.44Å; Y334-K367 HydrophobicContact CD1-CB 3.78Å; Y334-K367 HydrophobicContact CD1-CG 4.23Å; Y334-K367 HydrophobicContact CE1-CB 3.52Å; Y334-K367 HydrophobicContact CE1-CD 4.14Å; Y334-K367 HydrophobicContact CE1-CG 3.81Å; W345-K367 VanDerWaalsContact CH2-O 3.25Å; W345-K367 WeakPolarHBondContact CH2-O 3.11Å; C349-K367 HydrophobicContact CB-CG 4.32Å; C349-K367 WeakPolarHBondContact CB-O 3.3Å; K367-S370 VanDerWaalsContact CE-CB 3.45Å; K367-S370 PolarHBondContact NZ-OG 3.46Å; K367-S370 VanDerWaalsContact NZ-OG 3.07Å
368	L	98.4	Very high	95.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-41.9	-175.5	-58	169.5	0	0	0	112.4	L326 L333 A335 W345 P348 C349 I394 F396	L326-L368 HydrophobicContact CD2-CD1 3.79Å; L333-L368 HydrophobicContact CD2-CD1 4.32Å; L333-L368 HydrophobicContact CG-CD1 4.16Å; L333-L368 WeakPolarHBondContact O-CB 3.39Å; L333-L368 PolarHBondContact O-N 3.23Å; A335-L368 HydrophobicContact CB-CD1 3.89Å; A335-L368 HydrophobicContact CB-CD2 3.9Å; A335-L368 HydrophobicContact CB-CG 4.08Å; W345-L368 HydrophobicContact CD2-CD2 3.84Å; W345-L368 HydrophobicContact CE3-CD2 3.52Å; W345-L368 HydrophobicContact CH2-CD2 3.92Å; W345-L368 HydrophobicContact CZ2-CD2 4.22Å; W345-L368 HydrophobicContact CZ3-CB 4.17Å; W345-L368 HydrophobicContact CZ3-CD2 3.57Å; W345-L368 HydrophobicContact CZ3-CG 4.48Å; P348-L368 WeakPolarHBondContact CD-O 3.31Å; C349-L368 WeakPolarHBondContact CB-O 3.45Å; C349-L368 PolarHBondContact N-O 3.22Å; L368-I394 HydrophobicContact CB-CD1 3.86Å; L368-I394 HydrophobicContact CB-CG1 4.42Å; L368-I394 HydrophobicContact CD1-CD1 4.47Å; L368-I394 HydrophobicContact CD2-CG2 4.41Å; L368-F396 HydrophobicContact CD1-CE1 4.45Å; L368-F396 HydrophobicContact CD1-CZ 3.78Å; L368-F396 HydrophobicContact CD2-CE1 4.01Å; L368-F396 HydrophobicContact CD2-CZ 4.08Å
369	F	98.3	Very high	95	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.1	-174.5	169.3	-98.6	0	0	0	110.3	L333 P348 C349 L371 F374 F392 I394 P419 A422	L333-F369 HydrophobicContact CB-CB 4.24Å; L333-F369 PolarHBondContact N-O 3.3Å; L333-F369 VanDerWaalsContact N-O 3.11Å; L333-F369 PolarHBondContact O-N 3.19Å; P348-F369 HydrophobicContact CB-CD2 4.27Å; P348-F369 HydrophobicContact CG-CD2 4.03Å; C349-F369 VanDerWaalsContact SG-CA 3.59Å; F369-L371 HydrophobicContact CE1-CB 3.95Å; F369-L371 HydrophobicContact CE1-CD1 4.23Å; F369-L371 HydrophobicContact CZ-CB 4.29Å; F369-L371 HydrophobicContact CZ-CD1 3.97Å; F369-F374 HydrophobicContact CE2-CB 3.58Å; F369-F374 HydrophobicContact CE2-CD2 4Å; F369-F374 AromaticContact CE2-CG 3.81Å; F369-F374 HydrophobicContact CE2-CG 3.81Å; F369-F374 HydrophobicContact CZ-CB 3.77Å; F369-F374 HydrophobicContact CZ-CD1 4.4Å; F369-F374 AromaticContact CZ-CG 3.98Å; F369-F374 HydrophobicContact CZ-CG 3.98Å; F369-F392 HydrophobicContact CE2-CB 4.06Å; F369-I394 HydrophobicContact CB-CD1 4.01Å; F369-P419 HydrophobicContact CD1-CB 4.38Å; F369-P419 HydrophobicContact CD1-CG 3.94Å; F369-P419 HydrophobicContact CD2-CG 4.45Å; F369-P419 HydrophobicContact CE1-CB 4.18Å; F369-P419 HydrophobicContact CE1-CG 4.16Å; F369-P419 HydrophobicContact CG-CG 4.1Å; F369-A422 HydrophobicContact CE2-CB 4.09Å; F369-A422 HydrophobicContact CZ-CB 3.68Å
370	S	96.9	Very high	94.5	Very high	7 Å²	7	52.3 Å²	52.3	5%	0.049	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	120.6	172.9	-163.9	0	0	0	0	110	D332 K367 E372 Q373 F374	D332-S370 WeakPolarHBondContact OD1-CA 3.28Å; D332-S370 VanDerWaalsContact OD1-CB 3.23Å; D332-S370 WeakPolarHBondContact OD1-CB 3.24Å; D332-S370 PolarHBondContact OD1-OG 3.37Å; K367-S370 VanDerWaalsContact CE-CB 3.45Å; K367-S370 PolarHBondContact NZ-OG 3.46Å; K367-S370 VanDerWaalsContact NZ-OG 3.07Å; S370-E372 VanDerWaalsContact C-N 3.3Å; S370-E372 PolarHBondContact O-N 3.41Å; S370-Q373 PolarHBondContact O-N 3.3Å; S370-F374 VanDerWaalsContact O-CB 3.31Å; S370-F374 WeakPolarHBondContact O-CB 3.39Å; S370-F374 PolarHBondContact O-N 3.5Å
371	L	92.7	Very high	94	Very high	6 Å²	6	54.6 Å²	54.6	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-36.8	178	-171.5	59.9	0	0	0	111.8	L238 L246 Q331 F369 F374 L375 L425	L238-L371 HydrophobicContact CD2-CD2 4.3Å; L246-L371 HydrophobicContact CD2-CD2 3.83Å; Q331-L371 HydrophobicContact CB-CB 3.77Å; Q331-L371 HydrophobicContact CB-CD2 4Å; Q331-L371 HydrophobicContact CG-CD2 4.18Å; Q331-L371 WeakPolarHBondContact O-CB 3.27Å; Q331-L371 PolarHBondContact O-N 3.08Å; F369-L371 HydrophobicContact CE1-CB 3.95Å; F369-L371 HydrophobicContact CE1-CD1 4.23Å; F369-L371 HydrophobicContact CZ-CB 4.29Å; F369-L371 HydrophobicContact CZ-CD1 3.97Å; L371-F374 HydrophobicContact CD1-CD1 4.06Å; L371-F374 PolarHBondContact O-N 3.49Å; L371-L375 HydrophobicContact CD1-CG 4.36Å; L371-L375 HydrophobicContact CG-CD1 4.01Å; L371-L375 HydrophobicContact CG-CG 4.34Å; L371-L375 WeakPolarHBondContact O-CB 3.22Å; L371-L375 WeakPolarHBondContact O-CG 3.37Å; L371-L375 PolarHBondContact O-N 3.05Å; L371-L425 HydrophobicContact CD1-CD1 3.87Å
372	E	91.1	Very high	93.3	Very high	133 Å²	133	52.3 Å²	52.3	62%	0.621	25%	0.25	S	S	*	.	H	α-helix	trans	-60.4	-49.8	176.4	-176.4	-173.9	178.4	0	0	111.6	S370 L375 N376	S370-E372 VanDerWaalsContact C-N 3.3Å; S370-E372 PolarHBondContact O-N 3.41Å; E372-L375 PolarHBondContact O-N 2.85Å; E372-N376 VanDerWaalsContact O-CG 3.31Å; E372-N376 PolarHBondContact O-N 3.02Å; E372-N376 PolarHBondContact O-ND2 3.27Å; E372-N376 VanDerWaalsContact O-ND2 3.09Å
373	Q	93.3	Very high	92.6	Very high	82 Å²	82	51.4 Å²	51.4	38%	0.383	25%	0.249	S	C	.	.	H	α-helix	trans	-62.7	-45.8	177.5	-171.5	-172.9	-23.2	0	0	111.2	S370 L375 N376 E377	S370-Q373 PolarHBondContact O-N 3.3Å; Q373-L375 VanDerWaalsContact C-N 3.34Å; Q373-L375 PolarHBondContact O-N 3.22Å; Q373-N376 PolarHBondContact O-N 3.09Å; Q373-E377 WeakPolarHBondContact CG-OE1 3.38Å; Q373-E377 PolarHBondContact NE2-OE1 3.15Å; Q373-E377 WeakPolarHBondContact O-CG 3.24Å; Q373-E377 PolarHBondContact O-N 2.75Å
374	F	95.4	Very high	91.9	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-57.2	-44.9	177.6	171.7	-94.2	0	0	0	112.3	F369 S370 L371 E377 L378 P390 F392 A422 L425 L426	F369-F374 HydrophobicContact CE2-CB 3.58Å; F369-F374 HydrophobicContact CE2-CD2 4Å; F369-F374 AromaticContact CE2-CG 3.81Å; F369-F374 HydrophobicContact CE2-CG 3.81Å; F369-F374 HydrophobicContact CZ-CB 3.77Å; F369-F374 HydrophobicContact CZ-CD1 4.4Å; F369-F374 AromaticContact CZ-CG 3.98Å; F369-F374 HydrophobicContact CZ-CG 3.98Å; S370-F374 VanDerWaalsContact O-CB 3.31Å; S370-F374 WeakPolarHBondContact O-CB 3.39Å; S370-F374 PolarHBondContact O-N 3.5Å; L371-F374 HydrophobicContact CD1-CD1 4.06Å; L371-F374 PolarHBondContact O-N 3.49Å; F374-E377 PolarHBondContact O-N 3.14Å; F374-L378 HydrophobicContact CE1-CD2 4.06Å; F374-L378 HydrophobicContact CZ-CD2 4.44Å; F374-L378 VanDerWaalsContact O-CB 3.32Å; F374-L378 WeakPolarHBondContact O-CB 3.22Å; F374-L378 PolarHBondContact O-N 2.72Å; F374-P390 HydrophobicContact CD2-CB 3.69Å; F374-P390 HydrophobicContact CD2-CG 3.91Å; F374-P390 HydrophobicContact CE2-CB 3.73Å; F374-P390 HydrophobicContact CE2-CG 3.49Å; F374-P390 VanDerWaalsContact CE2-CG 3.49Å; F374-P390 HydrophobicContact CZ-CG 4.01Å; F374-F392 HydrophobicContact CD2-CB 4.16Å; F374-F392 HydrophobicContact CE2-CB 3.95Å; F374-F392 AromaticContact CE2-CD1 3.76Å; F374-F392 HydrophobicContact CE2-CD1 3.76Å; F374-F392 HydrophobicContact CE2-CG 4.34Å; F374-F392 HydrophobicContact CZ-CD1 4.14Å; F374-A422 HydrophobicContact CD1-CB 4.11Å; F374-A422 HydrophobicContact CD2-CB 4.47Å; F374-A422 HydrophobicContact CE1-CB 3.86Å; F374-A422 WeakPolarHBondContact CE1-O 3.43Å; F374-A422 HydrophobicContact CE2-CB 4.26Å; F374-A422 HydrophobicContact CG-CB 4.41Å; F374-A422 HydrophobicContact CZ-CB 3.96Å; F374-A422 WeakPolarHBondContact CZ-O 3.42Å; F374-L425 HydrophobicContact CE1-CB 3.99Å; F374-L425 HydrophobicContact CE1-CD1 4.38Å; F374-L426 HydrophobicContact CZ-CB 4.35Å
375	L	90.4	Very high	91.4	Very high	12 Å²	12	52.1 Å²	52.1	6%	0.063	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-41.9	177.2	-77.2	170.4	0	0	0	112.4	L234 L238 L371 E372 Q373 E377 L378 I379 L425	L234-L375 HydrophobicContact CD2-CD2 3.81Å; L238-L375 HydrophobicContact CD1-CD1 3.75Å; L238-L375 HydrophobicContact CD2-CD1 4.19Å; L238-L375 HydrophobicContact CG-CD1 4.49Å; L371-L375 HydrophobicContact CD1-CG 4.36Å; L371-L375 HydrophobicContact CG-CD1 4.01Å; L371-L375 HydrophobicContact CG-CG 4.34Å; L371-L375 WeakPolarHBondContact O-CB 3.22Å; L371-L375 WeakPolarHBondContact O-CG 3.37Å; L371-L375 PolarHBondContact O-N 3.05Å; E372-L375 PolarHBondContact O-N 2.85Å; Q373-L375 VanDerWaalsContact C-N 3.34Å; Q373-L375 PolarHBondContact O-N 3.22Å; L375-E377 VanDerWaalsContact C-N 3.34Å; L375-E377 PolarHBondContact O-N 3.25Å; L375-L378 HydrophobicContact CD2-CD2 4.47Å; L375-L378 WeakPolarHBondContact O-CB 3.46Å; L375-L378 PolarHBondContact O-N 2.65Å; L375-I379 VanDerWaalsContact O-CG1 3.28Å; L375-I379 WeakPolarHBondContact O-CG1 3.3Å; L375-I379 PolarHBondContact O-N 3.09Å; L375-L425 HydrophobicContact CD2-CD1 3.78Å; L375-L425 HydrophobicContact CD2-CD2 4.15Å; L375-L425 HydrophobicContact CD2-CG 4.5Å
376	N	89.9	Confident	90.9	Very high	88 Å²	88	51 Å²	51	47%	0.471	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-45.3	175.5	-72.2	-36.7	0	0	0	111.1	E372 Q373 I379 L380	E372-N376 VanDerWaalsContact O-CG 3.31Å; E372-N376 PolarHBondContact O-N 3.02Å; E372-N376 PolarHBondContact O-ND2 3.27Å; E372-N376 VanDerWaalsContact O-ND2 3.09Å; Q373-N376 PolarHBondContact O-N 3.09Å; N376-I379 PolarHBondContact O-N 3.2Å; N376-L380 WeakPolarHBondContact O-CG 3.03Å; N376-L380 PolarHBondContact O-N 3.26Å
377	E	91.6	Very high	90.4	Very high	64 Å²	64	56.9 Å²	56.9	30%	0.299	29%	0.292	S	S	.	.	H	α-helix	trans	-66.9	-34.6	175.3	-67.9	174.5	-160.6	0	0	112.3	Q373 F374 L375 L380 F381 P390	Q373-E377 WeakPolarHBondContact CG-OE1 3.38Å; Q373-E377 PolarHBondContact NE2-OE1 3.15Å; Q373-E377 WeakPolarHBondContact O-CG 3.24Å; Q373-E377 PolarHBondContact O-N 2.75Å; F374-E377 PolarHBondContact O-N 3.14Å; L375-E377 VanDerWaalsContact C-N 3.34Å; L375-E377 PolarHBondContact O-N 3.25Å; E377-L380 PolarHBondContact O-N 3.1Å; E377-F381 PolarHBondContact O-N 2.85Å; E377-P390 HydrophobicContact CB-CB 3.72Å
378	L	89.6	Confident	89.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-40.2	175.3	-173.2	61.1	0	0	0	112.4	F374 L375 L380 F381 Q382 P390 L425 L426 F429	F374-L378 HydrophobicContact CE1-CD2 4.06Å; F374-L378 HydrophobicContact CZ-CD2 4.44Å; F374-L378 VanDerWaalsContact O-CB 3.32Å; F374-L378 WeakPolarHBondContact O-CB 3.22Å; F374-L378 PolarHBondContact O-N 2.72Å; L375-L378 HydrophobicContact CD2-CD2 4.47Å; L375-L378 WeakPolarHBondContact O-CB 3.46Å; L375-L378 PolarHBondContact O-N 2.65Å; L378-L380 VanDerWaalsContact C-N 3.33Å; L378-F381 HydrophobicContact CD1-CD1 4.36Å; L378-F381 PolarHBondContact O-N 3.21Å; L378-Q382 WeakPolarHBondContact O-CB 3.15Å; L378-Q382 PolarHBondContact O-N 2.82Å; L378-P390 HydrophobicContact CB-CG 3.91Å; L378-P390 HydrophobicContact CD1-CG 3.94Å; L378-L425 HydrophobicContact CD2-CB 3.99Å; L378-L426 HydrophobicContact CD1-CD1 3.55Å; L378-F429 HydrophobicContact CD1-CB 3.95Å; L378-F429 HydrophobicContact CD2-CB 4.06Å; L378-F429 HydrophobicContact CD2-CD1 4.19Å; L378-F429 HydrophobicContact CD2-CD2 4.11Å; L378-F429 HydrophobicContact CD2-CG 3.83Å; L378-F429 HydrophobicContact CG-CB 4.07Å; L378-F429 HydrophobicContact CG-CD1 4.14Å; L378-F429 HydrophobicContact CG-CG 4.09Å
379	I	85.5	Confident	89.6	Confident	40 Å²	40	62.9 Å²	62.9	21%	0.205	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-42.4	174.1	-66.9	159.7	0	0	0	110.4	L234 L375 N376 Q382 K383	L234-I379 HydrophobicContact CD1-CD1 3.55Å; L234-I379 HydrophobicContact CD1-CG1 3.36Å; L375-I379 VanDerWaalsContact O-CG1 3.28Å; L375-I379 WeakPolarHBondContact O-CG1 3.3Å; L375-I379 PolarHBondContact O-N 3.09Å; N376-I379 PolarHBondContact O-N 3.2Å; I379-Q382 PolarHBondContact O-N 2.91Å; I379-K383 HydrophobicContact CG2-CD 3.86Å; I379-K383 HydrophobicContact CG2-CG 4.47Å; I379-K383 WeakPolarHBondContact O-CB 2.95Å; I379-K383 VanDerWaalsContact O-CG 3.27Å; I379-K383 WeakPolarHBondContact O-CG 3.35Å; I379-K383 PolarHBondContact O-N 3.4Å
380	L	87.1	Confident	89.4	Confident	69 Å²	69	62.7 Å²	62.7	36%	0.361	33%	0.329	S	S	.	.	H	α-helix	trans	-65.9	-40.1	178.3	-63.9	172.3	0	0	0	111.7	N376 E377 L378 G384 Q385 T386	N376-L380 WeakPolarHBondContact O-CG 3.03Å; N376-L380 PolarHBondContact O-N 3.26Å; E377-L380 PolarHBondContact O-N 3.1Å; L378-L380 VanDerWaalsContact C-N 3.33Å; L380-G384 PolarHBondContact O-N 3.3Å; L380-Q385 WeakPolarHBondContact O-CB 3.33Å; L380-Q385 PolarHBondContact O-N 3.01Å; L380-T386 HydrophobicContact CB-CG2 4.28Å; L380-T386 PolarHBondContact O-N 3.22Å
381	F	86.9	Confident	89.3	Confident	49 Å²	49	65.8 Å²	65.8	22%	0.215	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-50.4	173.8	177.7	-111.5	0	0	0	111.7	E377 L378 K383 G384 T386 I388 P389 L426	E377-F381 PolarHBondContact O-N 2.85Å; L378-F381 HydrophobicContact CD1-CD1 4.36Å; L378-F381 PolarHBondContact O-N 3.21Å; F381-K383 VanDerWaalsContact C-N 3.29Å; F381-K383 PolarHBondContact O-N 3.1Å; F381-G384 PolarHBondContact O-N 3.41Å; F381-T386 VanDerWaalsContact CA-OG1 3.26Å; F381-T386 WeakPolarHBondContact CA-OG1 3.01Å; F381-T386 WeakPolarHBondContact CD2-O 3.46Å; F381-T386 PolarHBondContact N-OG1 2.83Å; F381-I388 VanDerWaalsContact CD2-C 3.45Å; F381-I388 WeakPolarHBondContact CD2-O 3.42Å; F381-P389 HydrophobicContact CD1-CB 4.35Å; F381-P389 HydrophobicContact CD2-CB 4.48Å; F381-P389 HydrophobicContact CE1-CB 4.02Å; F381-P389 HydrophobicContact CE2-CB 4.16Å; F381-P389 HydrophobicContact CZ-CB 3.92Å; F381-L426 HydrophobicContact CD1-CD1 4.27Å; F381-L426 HydrophobicContact CE1-CD1 4.13Å
382	Q	82.6	Confident	89.5	Confident	70 Å²	70	66.6 Å²	66.6	33%	0.327	35%	0.352	S	S	.	.	H	α-helix	trans	-61	-36.7	178.2	-172.8	-175.3	47.3	0	0	112.7	L378 I379 G384 F429	L378-Q382 WeakPolarHBondContact O-CB 3.15Å; L378-Q382 PolarHBondContact O-N 2.82Å; I379-Q382 PolarHBondContact O-N 2.91Å; Q382-G384 PolarHBondContact O-N 3.37Å; Q382-F429 HydrophobicContact CB-CD1 4.29Å; Q382-F429 HydrophobicContact CG-CD1 4.28Å; Q382-F429 VanDerWaalsContact NE2-CD1 3.27Å; Q382-F429 VanDerWaalsContact OE1-CE1 3.32Å
383	K	83.4	Confident	89.8	Confident	102 Å²	102	65 Å²	65	44%	0.443	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	2.2	175.1	-72.5	176	178.4	176.5	0	113.7	E231 I379 F381 Q385	E231-K383 WeakPolarHBondContact OE1-CE 3.11Å; E231-K383 IonicContact OE1-NZ 2.76Å; E231-K383 PolarHBondContact OE1-NZ 3Å; I379-K383 HydrophobicContact CG2-CD 3.86Å; I379-K383 HydrophobicContact CG2-CG 4.47Å; I379-K383 WeakPolarHBondContact O-CB 2.95Å; I379-K383 VanDerWaalsContact O-CG 3.27Å; I379-K383 WeakPolarHBondContact O-CG 3.35Å; I379-K383 PolarHBondContact O-N 3.4Å; F381-K383 VanDerWaalsContact C-N 3.29Å; F381-K383 PolarHBondContact O-N 3.1Å; K383-Q385 HydrophobicContact CB-CG 3.99Å; K383-Q385 PolarHBondContact O-N 2.88Å
384	G	83.9	Confident	90.1	Very high	54 Å²	54	61.1 Å²	61.1	56%	0.557	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	17.5	-177.3	0	0	0	0	0	113.9	L380 F381 Q382	L380-G384 PolarHBondContact O-N 3.3Å; F381-G384 PolarHBondContact O-N 3.41Å; Q382-G384 PolarHBondContact O-N 3.37Å
385	Q	88.3	Confident	90.2	Very high	131 Å²	131	62.4 Å²	62.4	61%	0.612	33%	0.332	S	S	*	.	S	Bend	trans	-83.4	-23.3	178.8	-58.8	-174.9	6	0	0	111.6	L380 K383	L380-Q385 WeakPolarHBondContact O-CB 3.33Å; L380-Q385 PolarHBondContact O-N 3.01Å; K383-Q385 HydrophobicContact CB-CG 3.99Å; K383-Q385 PolarHBondContact O-N 2.88Å
386	T	87.8	Confident	90.6	Very high	56 Å²	56	61.8 Å²	61.8	34%	0.344	33%	0.329	S	S	.	.			trans	-125.1	144.7	166.3	64.5	0	0	0	0	109.6	L380 F381	L380-T386 HydrophobicContact CB-CG2 4.28Å; L380-T386 PolarHBondContact O-N 3.22Å; F381-T386 VanDerWaalsContact CA-OG1 3.26Å; F381-T386 WeakPolarHBondContact CA-OG1 3.01Å; F381-T386 WeakPolarHBondContact CD2-O 3.46Å; F381-T386 PolarHBondContact N-OG1 2.83Å
387	N	86.4	Confident	91	Very high	152 Å²	152	57.6 Å²	57.6	81%	0.813	31%	0.307	S	S	*	.	S	Bend	trans	-96.8	5.5	177.2	-67.1	-43.1	0	0	0	112.9
388	I	89.3	Confident	91.4	Very high	135 Å²	135	54.6 Å²	54.6	69%	0.692	29%	0.293	S	S	*	.	S	Bend	trans	-120.1	124.3	-174.6	-56.1	175.9	0	0	0	106.9	F381	F381-I388 VanDerWaalsContact CD2-C 3.45Å; F381-I388 WeakPolarHBondContact CD2-O 3.42Å
389	P	91.8	Very high	91.7	Very high	58 Å²	58	55.7 Å²	55.7	38%	0.377	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-66.5	146.1	177.6	28.2	-34.6	0	0	0	110.5	F381 L426	F381-P389 HydrophobicContact CD1-CB 4.35Å; F381-P389 HydrophobicContact CD2-CB 4.48Å; F381-P389 HydrophobicContact CE1-CB 4.02Å; F381-P389 HydrophobicContact CE2-CB 4.16Å; F381-P389 HydrophobicContact CZ-CB 3.92Å; P389-L426 HydrophobicContact CB-CD1 3.79Å; P389-L426 HydrophobicContact CB-CD2 3.92Å
390	P	94.1	Very high	92.2	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.032	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-61.6	135.4	178.2	25.9	-36	0	0	0	111.5	F374 E377 L378	F374-P390 HydrophobicContact CD2-CB 3.69Å; F374-P390 HydrophobicContact CD2-CG 3.91Å; F374-P390 HydrophobicContact CE2-CB 3.73Å; F374-P390 HydrophobicContact CE2-CG 3.49Å; F374-P390 VanDerWaalsContact CE2-CG 3.49Å; F374-P390 HydrophobicContact CZ-CG 4.01Å; E377-P390 HydrophobicContact CB-CB 3.72Å; L378-P390 HydrophobicContact CB-CG 3.91Å; L378-P390 HydrophobicContact CD1-CG 3.94Å
391	P	95.6	Very high	92.6	Very high	71 Å²	71	55.9 Å²	55.9	46%	0.461	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-74.6	141	177.6	31.3	-34.2	0	0	0	110.8	P348	P348-P391 HydrophobicContact CB-CG 4.26Å; P348-P391 HydrophobicContact CG-CB 4.18Å; P348-P391 HydrophobicContact CG-CG 4.24Å; P348-P391 WeakPolarHBondContact CG-O 3.42Å
392	F	96.5	Very high	93	Very high	24 Å²	24	55.6 Å²	55.6	11%	0.105	30%	0.3	C	S	.	.			trans	-128.5	-16.1	170.4	57	-102.2	0	0	0	113.3	F369 F374 V418 P419 A422 R423 L426	F369-F392 HydrophobicContact CE2-CB 4.06Å; F374-F392 HydrophobicContact CD2-CB 4.16Å; F374-F392 HydrophobicContact CE2-CB 3.95Å; F374-F392 AromaticContact CE2-CD1 3.76Å; F374-F392 HydrophobicContact CE2-CD1 3.76Å; F374-F392 HydrophobicContact CE2-CG 4.34Å; F374-F392 HydrophobicContact CZ-CD1 4.14Å; F392-V418 HydrophobicContact CD2-CG1 3.78Å; F392-V418 HydrophobicContact CE2-CG1 3.65Å; F392-V418 HydrophobicContact CE2-CG2 4.43Å; F392-P419 WeakPolarHBondContact O-CD 3.35Å; F392-A422 HydrophobicContact CB-CB 3.54Å; F392-A422 HydrophobicContact CD1-CB 4.43Å; F392-A422 HydrophobicContact CG-CB 3.99Å; F392-R423 HydrophobicContact CE1-CB 4.41Å; F392-R423 HydrophobicContact CE2-CB 3.89Å; F392-R423 HydrophobicContact CZ-CB 3.82Å; F392-R423 HydrophobicContact CZ-CG 4.17Å; F392-L426 HydrophobicContact CE1-CB 4.24Å; F392-L426 HydrophobicContact CE1-CD2 3.76Å
393	E	97.7	Very high	93.4	Very high	100 Å²	100	53.6 Å²	53.6	47%	0.467	29%	0.293	S	S	.	.			trans	-71.4	133.9	179.7	-53	-161.7	142.1	0	0	111.2	Q416 V418	E393-Q416 PolarHBondContact OE1-NE2 3.21Å; E393-Q416 PolarHBondContact OE2-NE2 3.18Å; E393-V418 HydrophobicContact CG-CG2 4.17Å
394	I	98.5	Very high	93.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128	175.2	-56.2	154	0	0	0	107.7	L333 W345 L368 F369 F396 Q416 V417	L333-I394 HydrophobicContact CD2-CD1 3.62Å; W345-I394 HydrophobicContact CE3-CG2 4.16Å; L368-I394 HydrophobicContact CB-CD1 3.86Å; L368-I394 HydrophobicContact CB-CG1 4.42Å; L368-I394 HydrophobicContact CD1-CD1 4.47Å; L368-I394 HydrophobicContact CD2-CG2 4.41Å; F369-I394 HydrophobicContact CB-CD1 4.01Å; I394-F396 HydrophobicContact CB-CE2 4.43Å; I394-F396 HydrophobicContact CG2-CD2 4.34Å; I394-F396 HydrophobicContact CG2-CE1 4.07Å; I394-F396 HydrophobicContact CG2-CE2 3.61Å; I394-F396 HydrophobicContact CG2-CZ 3.45Å; I394-F396 VanDerWaalsContact CG2-CZ 3.45Å; I394-Q416 CarbonylContact O-C 3.58Å; I394-Q416 WeakPolarHBondContact O-CA 3.44Å; I394-V417 HydrophobicContact CB-CB 4.45Å; I394-V417 PolarHBondContact N-O 3.49Å; I394-V417 PolarHBondContact O-N 2.86Å
395	F	98.1	Very high	93.6	Very high	30 Å²	30	55.9 Å²	55.9	13%	0.132	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.6	-179.9	177.4	-88.6	0	0	0	110.2	W345 S346 C397 W402 R408 T414	W345-F395 CarbonylContact C-O 3.57Å; W345-F395 WeakPolarHBondContact CA-O 3.4Å; W345-F395 WeakPolarHBondContact CB-O 3.32Å; S346-F395 PolarHBondContact N-O 3.38Å; S346-F395 PolarHBondContact O-N 3.49Å; F395-C397 HydrophobicContact CE1-CB 4.04Å; F395-W402 AromaticContact CD1-CD1 3.7Å; F395-W402 HydrophobicContact CD1-CD2 4.01Å; F395-W402 AromaticContact CD1-CE2 3.53Å; F395-W402 HydrophobicContact CD1-CG 4.11Å; F395-W402 HydrophobicContact CD1-CZ2 4.05Å; F395-W402 AromaticContact CD1-NE1 3.35Å; F395-W402 VanDerWaalsContact CD1-NE1 3.35Å; F395-W402 AromaticContact CE1-CD1 3.86Å; F395-W402 AromaticContact CE1-CD2 3.48Å; F395-W402 HydrophobicContact CE1-CD2 3.48Å; F395-W402 VanDerWaalsContact CE1-CD2 3.48Å; F395-W402 AromaticContact CE1-CE2 3.42Å; F395-W402 VanDerWaalsContact CE1-CE2 3.42Å; F395-W402 HydrophobicContact CE1-CE3 4.03Å; F395-W402 AromaticContact CE1-CG 3.78Å; F395-W402 HydrophobicContact CE1-CG 3.78Å; F395-W402 HydrophobicContact CE1-CH2 4.39Å; F395-W402 AromaticContact CE1-CZ2 3.9Å; F395-W402 HydrophobicContact CE1-CZ2 3.9Å; F395-W402 HydrophobicContact CE1-CZ3 4.45Å; F395-W402 AromaticContact CE1-NE1 3.67Å; F395-W402 HydrophobicContact CZ-CD2 4.43Å; F395-R408 HydrophobicContact CE2-CB 4.18Å; F395-R408 HydrophobicContact CZ-CB 3.83Å; F395-T414 HydrophobicContact CE1-CG2 4.29Å; F395-T414 HydrophobicContact CE2-CG2 3.91Å; F395-T414 HydrophobicContact CZ-CG2 3.4Å; F395-T414 VanDerWaalsContact CZ-CG2 3.4Å
396	F	98.7	Very high	93.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.9	174.5	-58.7	-77.3	0	0	0	110.9	L324 L326 V343 F344 W345 I360 L368 I394 F398 T414 V415 V417	L324-F396 HydrophobicContact CD2-CD1 4Å; L324-F396 HydrophobicContact CD2-CE1 4.06Å; L324-F396 HydrophobicContact CD2-CG 4.26Å; L324-F396 HydrophobicContact CD2-CZ 4.35Å; L326-F396 HydrophobicContact CD1-CE2 4.31Å; L326-F396 HydrophobicContact CD2-CE1 4.48Å; L326-F396 HydrophobicContact CD2-CE2 3.99Å; L326-F396 HydrophobicContact CD2-CZ 3.63Å; V343-F396 HydrophobicContact CG1-CB 4.23Å; V343-F396 HydrophobicContact CG1-CD1 3.93Å; V343-F396 HydrophobicContact CG1-CG 4.48Å; F344-F396 CarbonylContact O-C 3.58Å; F344-F396 WeakPolarHBondContact O-CA 3.43Å; W345-F396 HydrophobicContact CB-CD1 3.67Å; W345-F396 HydrophobicContact CB-CE1 3.94Å; I360-F396 HydrophobicContact CD1-CD1 3.94Å; I360-F396 HydrophobicContact CD1-CE1 3.71Å; L368-F396 HydrophobicContact CD1-CE1 4.45Å; L368-F396 HydrophobicContact CD1-CZ 3.78Å; L368-F396 HydrophobicContact CD2-CE1 4.01Å; L368-F396 HydrophobicContact CD2-CZ 4.08Å; I394-F396 HydrophobicContact CB-CE2 4.43Å; I394-F396 HydrophobicContact CG2-CD2 4.34Å; I394-F396 HydrophobicContact CG2-CE1 4.07Å; I394-F396 HydrophobicContact CG2-CE2 3.61Å; I394-F396 HydrophobicContact CG2-CZ 3.45Å; I394-F396 VanDerWaalsContact CG2-CZ 3.45Å; F396-F398 HydrophobicContact CB-CD2 4.25Å; F396-F398 HydrophobicContact CB-CE2 3.58Å; F396-F398 HydrophobicContact CB-CZ 4.28Å; F396-F398 HydrophobicContact CG-CE2 4.49Å; F396-T414 CarbonylContact O-C 3.59Å; F396-T414 VanDerWaalsContact O-CA 3.25Å; F396-T414 WeakPolarHBondContact O-CA 3.47Å; F396-V415 HydrophobicContact CB-CB 4.44Å; F396-V415 PolarHBondContact N-O 3.12Å; F396-V415 PolarHBondContact O-N 2.93Å; F396-V417 HydrophobicContact CD2-CG2 4.08Å; F396-V417 HydrophobicContact CE2-CB 4.24Å; F396-V417 HydrophobicContact CE2-CG2 3.74Å
397	C	98.4	Very high	93.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.4	171.4	-174	0	0	0	0	108.8	V343 F344 F395 E400 W402	V343-C397 WeakPolarHBondContact CA-O 3.14Å; F344-C397 HydrophobicContact CB-CB 4.4Å; F344-C397 PolarHBondContact N-O 3.24Å; F344-C397 PolarHBondContact O-N 2.99Å; F395-C397 HydrophobicContact CE1-CB 4.04Å; C397-E400 PolarHBondContact SG-O 3.41Å; C397-W402 HydrophobicContact CB-CB 3.55Å; C397-W402 HydrophobicContact CB-CG 4.09Å
398	F	98.6	Very high	93.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.2	-174.6	-71.2	-100.9	0	0	0	110	L273 F298 L320 L324 V343 F396 E400 I413 V415	L273-F398 HydrophobicContact CD1-CZ 4.45Å; F298-F398 HydrophobicContact CE1-CD2 4.44Å; F298-F398 HydrophobicContact CE1-CE2 4.47Å; F298-F398 HydrophobicContact CE2-CE1 4.35Å; F298-F398 HydrophobicContact CE2-CZ 4.41Å; F298-F398 HydrophobicContact CZ-CD1 4.14Å; F298-F398 HydrophobicContact CZ-CD2 4.09Å; F298-F398 AromaticContact CZ-CE1 3.87Å; F298-F398 HydrophobicContact CZ-CE1 3.87Å; F298-F398 AromaticContact CZ-CE2 3.83Å; F298-F398 HydrophobicContact CZ-CE2 3.83Å; F298-F398 HydrophobicContact CZ-CG 4.25Å; F298-F398 AromaticContact CZ-CZ 3.71Å; F298-F398 HydrophobicContact CZ-CZ 3.71Å; L320-F398 HydrophobicContact CD1-CD1 4.1Å; L320-F398 HydrophobicContact CD2-CD1 3.74Å; L320-F398 HydrophobicContact CD2-CE1 3.91Å; L324-F398 HydrophobicContact CB-CE1 4.25Å; L324-F398 HydrophobicContact CB-CZ 4.38Å; L324-F398 HydrophobicContact CD2-CE1 4.28Å; L324-F398 HydrophobicContact CD2-CZ 3.76Å; V343-F398 HydrophobicContact CB-CE1 4.5Å; V343-F398 HydrophobicContact CG1-CD1 4.38Å; V343-F398 HydrophobicContact CG1-CE1 4.1Å; V343-F398 HydrophobicContact CG1-CE2 4.41Å; V343-F398 HydrophobicContact CG1-CZ 4.11Å; V343-F398 HydrophobicContact CG2-CD1 3.68Å; V343-F398 HydrophobicContact CG2-CE1 3.59Å; V343-F398 HydrophobicContact CG2-CZ 4.4Å; F396-F398 HydrophobicContact CB-CD2 4.25Å; F396-F398 HydrophobicContact CB-CE2 3.58Å; F396-F398 HydrophobicContact CB-CZ 4.28Å; F396-F398 HydrophobicContact CG-CE2 4.49Å; F398-E400 PolarHBondContact O-N 3.04Å; F398-I413 HydrophobicContact CB-CB 4.02Å; F398-I413 HydrophobicContact CB-CG2 3.86Å; F398-I413 HydrophobicContact CD2-CG2 4.19Å; F398-I413 HydrophobicContact CG-CG2 4.24Å; F398-I413 PolarHBondContact N-O 2.71Å; F398-V415 HydrophobicContact CD2-CG2 4.14Å; F398-V415 HydrophobicContact CE2-CB 4.01Å; F398-V415 HydrophobicContact CE2-CG2 3.57Å; F398-V415 HydrophobicContact CZ-CG2 4.39Å
399	G	96.8	Very high	93.7	Very high	23 Å²	23	50.4 Å²	50.4	24%	0.237	26%	0.258	C	S	.	.	S	Bend	trans	83.8	-23.5	178	0	0	0	0	0	115.4	C341 K342	C341-G399 PolarHBondContact SG-N 2.72Å; C341-G399 VanDerWaalsContact SG-N 3.36Å; K342-G399 PolarHBondContact O-N 2.95Å
400	E	95.9	Very high	93.6	Very high	11 Å²	11	49.4 Å²	49.4	5%	0.051	25%	0.248	C	C	.	.	S	Bend	trans	-121.2	148.4	-175.4	-59.5	171.7	90.9	0	0	111.7	M152 F344 C397 F398 K411 L412	M152-E400 HydrophobicContact CE-CB 3.81Å; M152-E400 HydrophobicContact CE-CG 3.73Å; M152-E400 WeakPolarHBondContact CE-OE1 3.22Å; F344-E400 WeakPolarHBondContact CD2-O 3.48Å; C397-E400 PolarHBondContact SG-O 3.41Å; F398-E400 PolarHBondContact O-N 3.04Å; E400-K411 HydrophobicContact CB-CD 4.05Å; E400-K411 WeakPolarHBondContact OE2-CA 3.42Å; E400-L412 WeakPolarHBondContact OE2-CB 3.28Å; E400-L412 PolarHBondContact OE2-N 3.24Å
401	E	95.6	Very high	93.7	Very high	103 Å²	103	49.2 Å²	49.2	48%	0.481	25%	0.247	S	C	.	.			trans	-61.2	142.3	-178.5	-64.5	-171.2	160.1	0	0	112.7	F344 P357 K411	F344-E401 HydrophobicContact CE1-CB 4.35Å; F344-E401 HydrophobicContact CE1-CG 4.1Å; F344-E401 HydrophobicContact CE2-CG 4.26Å; F344-E401 HydrophobicContact CZ-CB 4.32Å; F344-E401 HydrophobicContact CZ-CG 3.74Å; P357-E401 HydrophobicContact CB-CB 3.96Å; P357-E401 HydrophobicContact CB-CG 4.32Å; P357-E401 HydrophobicContact CG-CB 3.81Å; P357-E401 HydrophobicContact CG-CG 4.21Å; E401-K411 PolarHBondContact O-NZ 3.33Å
402	W	94.3	Very high	93.8	Very high	43 Å²	43	46 Å²	46	16%	0.163	23%	0.226	C	C	.	.	S	Bend	trans	-160.2	141.6	175.6	-179.1	-91.1	0	0	0	111.4	F344 S346 P357 N358 F395 C397 R408	F344-W402 HydrophobicContact CB-CB 3.75Å; F344-W402 WeakPolarHBondContact CB-O 3.25Å; S346-W402 PolarHBondContact OG-NE1 3.09Å; P357-W402 CarbonylContact C-O 3.57Å; P357-W402 WeakPolarHBondContact CA-O 3.49Å; N358-W402 PolarHBondContact N-O 3.39Å; F395-W402 AromaticContact CD1-CD1 3.7Å; F395-W402 HydrophobicContact CD1-CD2 4.01Å; F395-W402 AromaticContact CD1-CE2 3.53Å; F395-W402 HydrophobicContact CD1-CG 4.11Å; F395-W402 HydrophobicContact CD1-CZ2 4.05Å; F395-W402 AromaticContact CD1-NE1 3.35Å; F395-W402 VanDerWaalsContact CD1-NE1 3.35Å; F395-W402 AromaticContact CE1-CD1 3.86Å; F395-W402 AromaticContact CE1-CD2 3.48Å; F395-W402 HydrophobicContact CE1-CD2 3.48Å; F395-W402 VanDerWaalsContact CE1-CD2 3.48Å; F395-W402 AromaticContact CE1-CE2 3.42Å; F395-W402 VanDerWaalsContact CE1-CE2 3.42Å; F395-W402 HydrophobicContact CE1-CE3 4.03Å; F395-W402 AromaticContact CE1-CG 3.78Å; F395-W402 HydrophobicContact CE1-CG 3.78Å; F395-W402 HydrophobicContact CE1-CH2 4.39Å; F395-W402 AromaticContact CE1-CZ2 3.9Å; F395-W402 HydrophobicContact CE1-CZ2 3.9Å; F395-W402 HydrophobicContact CE1-CZ3 4.45Å; F395-W402 AromaticContact CE1-NE1 3.67Å; F395-W402 HydrophobicContact CZ-CD2 4.43Å; C397-W402 HydrophobicContact CB-CB 3.55Å; C397-W402 HydrophobicContact CB-CG 4.09Å; W402-R408 HydrophobicContact CH2-CB 3.87Å; W402-R408 HydrophobicContact CZ3-CB 3.88Å
403	P	91.9	Very high	93.9	Very high	28 Å²	28	44.9 Å²	44.9	18%	0.182	22%	0.221	C	C	.	.	S	Bend	cis	-49.1	155.1	-16.4	-28	35.8	0	0	0	113.5	H356	H356-P403 WeakPolarHBondContact O-CD 3.44Å
404	D	87.2	Confident	93.9	Very high	42 Å²	42	40.5 Å²	40.5	23%	0.225	20%	0.201	C	C	.	.			trans	-148.1	161.2	-176.1	-170.5	-14.7	0	0	0	107.9	K406 K411	D404-K406 PolarHBondContact O-N 3.03Å; D404-K406 PolarHBondContact OD1-N 2.9Å; D404-K406 WeakPolarHBondContact OD2-CD 3.04Å; D404-K411 IonicContact OD2-NZ 3.71Å; D404-K411 PolarHBondContact OD2-NZ 3.18Å
405	L	84.8	Confident	93.9	Very high	161 Å²	161	40.5 Å²	40.5	84%	0.843	20%	0.201	S	C	*	.	S	Bend	trans	-67	-19.5	171.1	-62	175.5	0	0	0	112.2
406	K	84.4	Confident	94	Very high	56 Å²	56	40.7 Å²	40.7	24%	0.243	20%	0.202	C	C	.	.	S	Bend	trans	-86	141.8	-179	-67.6	148.1	171	-156	0	112.1	E148 M152 D404	E148-K406 VanDerWaalsContact CD-CE 3.41Å; E148-K406 VanDerWaalsContact CD-NZ 3.26Å; E148-K406 WeakPolarHBondContact OE1-CD 3.31Å; E148-K406 WeakPolarHBondContact OE1-CE 3.35Å; E148-K406 IonicContact OE1-NZ 2.65Å; E148-K406 PolarHBondContact OE1-NZ 3.11Å; M152-K406 PolarHBondContact SD-NZ 2.76Å; D404-K406 PolarHBondContact O-N 3.03Å; D404-K406 PolarHBondContact OD1-N 2.9Å; D404-K406 WeakPolarHBondContact OD2-CD 3.04Å
407	P	88	Confident	94	Very high	65 Å²	65	40.7 Å²	40.7	42%	0.422	20%	0.202	S	C	.	.			trans	-62.3	147.4	176.6	27.2	-34.9	0	0	0	111.7	E409 K410	P407-E409 WeakPolarHBondContact CB-OE2 3.41Å; P407-E409 PolarHBondContact O-N 3.08Å; P407-E409 VanDerWaalsContact O-N 3.15Å; P407-K410 HydrophobicContact CG-CD 4.2Å; P407-K410 HydrophobicContact CG-CG 4.1Å; P407-K410 PolarHBondContact O-N 2.95Å; P407-K410 VanDerWaalsContact O-N 3.1Å
408	R	89.8	Confident	94	Very high	129 Å²	129	41 Å²	41	49%	0.487	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-59.2	-27.3	179.9	62.8	179.7	-178.6	-171.6	-3.7	112.4	F395 W402 K410 K411	F395-R408 HydrophobicContact CE2-CB 4.18Å; F395-R408 HydrophobicContact CZ-CB 3.83Å; W402-R408 HydrophobicContact CH2-CB 3.87Å; W402-R408 HydrophobicContact CZ3-CB 3.88Å; R408-K410 PolarHBondContact O-N 3.45Å; R408-K411 VanDerWaalsContact O-CB 3.3Å; R408-K411 WeakPolarHBondContact O-CB 3.47Å; R408-K411 WeakPolarHBondContact O-CG 3.32Å; R408-K411 PolarHBondContact O-N 3.37Å
409	E	90.4	Very high	93.9	Very high	110 Å²	110	41.6 Å²	41.6	51%	0.514	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-62.8	-24.6	179.4	-68	68.4	-152.5	0	0	112.4	P407	P407-E409 WeakPolarHBondContact CB-OE2 3.41Å; P407-E409 PolarHBondContact O-N 3.08Å; P407-E409 VanDerWaalsContact O-N 3.15Å
410	K	91.1	Very high	93.7	Very high	36 Å²	36	41.1 Å²	41.1	16%	0.157	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-83.3	-10.1	174.3	-71.2	-171.1	-176.9	-151.7	0	113.7	E145 E148 R256 P407 R408	E145-K410 HydrophobicContact CG-CD 4.23Å; E145-K410 WeakPolarHBondContact OE1-CE 3.49Å; E145-K410 IonicContact OE1-NZ 2.69Å; E145-K410 PolarHBondContact OE1-NZ 3.42Å; E148-K410 IonicContact OE2-NZ 2.97Å; R256-K410 WeakPolarHBondContact CD-O 3.45Å; R256-K410 PolarHBondContact NH1-O 3.11Å; P407-K410 HydrophobicContact CG-CD 4.2Å; P407-K410 HydrophobicContact CG-CG 4.1Å; P407-K410 PolarHBondContact O-N 2.95Å; P407-K410 VanDerWaalsContact O-N 3.1Å; R408-K410 PolarHBondContact O-N 3.45Å
411	K	95.7	Very high	93.4	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.009	20%	0.2	C	C	.	.			trans	-77	130.7	-177.3	-57.7	-64.4	177.6	169.4	0	111.7	R256 E400 E401 D404 R408 T414	R256-K411 WeakPolarHBondContact CB-O 3.2Å; E400-K411 HydrophobicContact CB-CD 4.05Å; E400-K411 WeakPolarHBondContact OE2-CA 3.42Å; E401-K411 PolarHBondContact O-NZ 3.33Å; D404-K411 IonicContact OD2-NZ 3.71Å; D404-K411 PolarHBondContact OD2-NZ 3.18Å; R408-K411 VanDerWaalsContact O-CB 3.3Å; R408-K411 WeakPolarHBondContact O-CB 3.47Å; R408-K411 WeakPolarHBondContact O-CG 3.32Å; R408-K411 PolarHBondContact O-N 3.37Å; K411-T414 HydrophobicContact CB-CG2 3.46Å; K411-T414 VanDerWaalsContact CB-CG2 3.46Å; K411-T414 HydrophobicContact CG-CG2 4.23Å
412	L	97.1	Very high	93.2	Very high	4 Å²	4	36 Å²	36	2%	0.021	18%	0.177	C	C	.	.	S	Bend	trans	-59.5	-46.3	-177	-70.2	175.8	0	0	0	112.7	L149 Y255 R256 Q309 L316 E400	L149-L412 HydrophobicContact CD2-CD1 4.19Å; L149-L412 HydrophobicContact CD2-CD2 3.8Å; L149-L412 HydrophobicContact CD2-CG 4.07Å; Y255-L412 VanDerWaalsContact CA-O 3.31Å; Y255-L412 WeakPolarHBondContact CA-O 3.42Å; R256-L412 PolarHBondContact N-O 2.9Å; Q309-L412 HydrophobicContact CG-CD2 3.71Å; L316-L412 HydrophobicContact CD1-CB 4.41Å; L316-L412 HydrophobicContact CD1-CD1 4.1Å; E400-L412 WeakPolarHBondContact OE2-CB 3.28Å; E400-L412 PolarHBondContact OE2-N 3.24Å
413	I	98.5	Very high	93.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	113.1	-176.5	-53.3	-177.7	0	0	0	109.5	Y255 F298 T313 L316 L317 F398	Y255-I413 HydrophobicContact CD1-CB 4.37Å; Y255-I413 HydrophobicContact CD1-CG1 3.92Å; Y255-I413 HydrophobicContact CD1-CG2 4.34Å; Y255-I413 HydrophobicContact CE1-CB 4.37Å; Y255-I413 HydrophobicContact CE1-CD1 4.23Å; Y255-I413 HydrophobicContact CE1-CG1 3.84Å; Y255-I413 HydrophobicContact CE1-CG2 4.01Å; F298-I413 HydrophobicContact CD1-CG2 4.09Å; F298-I413 HydrophobicContact CE1-CG2 3.52Å; F298-I413 HydrophobicContact CZ-CG2 4.43Å; T313-I413 HydrophobicContact CG2-CD1 3.95Å; T313-I413 HydrophobicContact CG2-CG1 4.05Å; L316-I413 HydrophobicContact CB-CD1 3.7Å; L316-I413 HydrophobicContact CD1-CD1 4.08Å; L316-I413 HydrophobicContact CD1-CG1 4.37Å; L317-I413 HydrophobicContact CD2-CD1 4.2Å; L317-I413 HydrophobicContact CG-CD1 4.12Å; F398-I413 HydrophobicContact CB-CB 4.02Å; F398-I413 HydrophobicContact CB-CG2 3.86Å; F398-I413 HydrophobicContact CD2-CG2 4.19Å; F398-I413 HydrophobicContact CG-CG2 4.24Å; F398-I413 PolarHBondContact N-O 2.71Å
414	T	98.6	Very high	92.9	Very high	8 Å²	8	38 Å²	38	5%	0.049	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.5	173.7	59.2	0	0	0	0	110.7	Q254 F395 F396 K411	Q254-T414 WeakPolarHBondContact CB-OG1 3.36Å; Q254-T414 PolarHBondContact N-O 3.2Å; Q254-T414 PolarHBondContact O-N 2.96Å; Q254-T414 PolarHBondContact O-OG1 3.18Å; F395-T414 HydrophobicContact CE1-CG2 4.29Å; F395-T414 HydrophobicContact CE2-CG2 3.91Å; F395-T414 HydrophobicContact CZ-CG2 3.4Å; F395-T414 VanDerWaalsContact CZ-CG2 3.4Å; F396-T414 CarbonylContact O-C 3.59Å; F396-T414 VanDerWaalsContact O-CA 3.25Å; F396-T414 WeakPolarHBondContact O-CA 3.47Å; K411-T414 HydrophobicContact CB-CG2 3.46Å; K411-T414 VanDerWaalsContact CB-CG2 3.46Å; K411-T414 HydrophobicContact CG-CG2 4.23Å
415	V	98.9	Very high	92.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.2	173.7	-174.6	0	0	0	0	108.7	I251 K252 F253 L273 F298 F396 F398 V417	I251-V415 HydrophobicContact CG2-CG1 3.66Å; K252-V415 WeakPolarHBondContact O-CA 3.25Å; F253-V415 HydrophobicContact CD1-CG1 4.44Å; F253-V415 HydrophobicContact CD1-CG2 3.62Å; F253-V415 HydrophobicContact CE1-CG1 4.44Å; F253-V415 HydrophobicContact CE1-CG2 3.89Å; F253-V415 HydrophobicContact CG-CG2 4.47Å; L273-V415 HydrophobicContact CD1-CG1 4Å; F298-V415 HydrophobicContact CE1-CG2 3.61Å; F298-V415 HydrophobicContact CZ-CG2 3.78Å; F396-V415 HydrophobicContact CB-CB 4.44Å; F396-V415 PolarHBondContact N-O 3.12Å; F396-V415 PolarHBondContact O-N 2.93Å; F398-V415 HydrophobicContact CD2-CG2 4.14Å; F398-V415 HydrophobicContact CE2-CB 4.01Å; F398-V415 HydrophobicContact CE2-CG2 3.57Å; F398-V415 HydrophobicContact CZ-CG2 4.39Å; V415-V417 HydrophobicContact CG1-CG2 4.1Å
416	Q	98.6	Very high	93.1	Very high	34 Å²	34	29.7 Å²	29.7	16%	0.159	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.2	169	177.4	-176.9	-0.2	0	0	108.5	K252 E393 I394 V418	K252-Q416 HydrophobicContact CB-CB 4.25Å; K252-Q416 PolarHBondContact N-O 2.89Å; K252-Q416 PolarHBondContact O-N 3.18Å; E393-Q416 PolarHBondContact OE1-NE2 3.21Å; E393-Q416 PolarHBondContact OE2-NE2 3.18Å; I394-Q416 CarbonylContact O-C 3.58Å; I394-Q416 WeakPolarHBondContact O-CA 3.44Å; Q416-V418 HydrophobicContact CG-CG2 4.38Å
417	V	98.8	Very high	93.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.9	176.5	-179.6	0	0	0	0	109.2	L249 E250 I251 L326 L333 I394 F396 V415	L249-V417 HydrophobicContact CB-CG1 4.33Å; L249-V417 HydrophobicContact CD2-CG1 4.47Å; E250-V417 CarbonylContact O-C 3.5Å; E250-V417 VanDerWaalsContact O-CA 3.31Å; E250-V417 WeakPolarHBondContact O-CA 3.49Å; I251-V417 HydrophobicContact CG1-CG2 4.33Å; I251-V417 HydrophobicContact CG2-CG2 4.44Å; L326-V417 HydrophobicContact CD1-CG1 4.33Å; L326-V417 HydrophobicContact CD1-CG2 3.82Å; L333-V417 HydrophobicContact CD2-CG1 4.41Å; I394-V417 HydrophobicContact CB-CB 4.45Å; I394-V417 PolarHBondContact N-O 3.49Å; I394-V417 PolarHBondContact O-N 2.86Å; F396-V417 HydrophobicContact CD2-CG2 4.08Å; F396-V417 HydrophobicContact CE2-CB 4.24Å; F396-V417 HydrophobicContact CE2-CG2 3.74Å; V415-V417 HydrophobicContact CG1-CG2 4.1Å
418	V	98.1	Very high	92.8	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.03	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	116.6	-178.8	172.1	0	0	0	0	109.3	E250 F392 E393 Q416 V420 R423	E250-V418 HydrophobicContact CB-CB 4.34Å; E250-V418 PolarHBondContact N-O 2.88Å; E250-V418 PolarHBondContact O-N 2.89Å; F392-V418 HydrophobicContact CD2-CG1 3.78Å; F392-V418 HydrophobicContact CE2-CG1 3.65Å; F392-V418 HydrophobicContact CE2-CG2 4.43Å; E393-V418 HydrophobicContact CG-CG2 4.17Å; Q416-V418 HydrophobicContact CG-CG2 4.38Å; V418-V420 PolarHBondContact O-N 2.94Å; V418-R423 HydrophobicContact CG1-CB 4.19Å
419	P	96.5	Very high	92	Very high	13 Å²	13	25.1 Å²	25.1	8%	0.084	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	110.5	165.6	-16.4	30.7	0	0	0	109.2	L249 F369 F392 A421 A422 R423	L249-P419 HydrophobicContact CD2-CB 4.36Å; F369-P419 HydrophobicContact CD1-CB 4.38Å; F369-P419 HydrophobicContact CD1-CG 3.94Å; F369-P419 HydrophobicContact CD2-CG 4.45Å; F369-P419 HydrophobicContact CE1-CB 4.18Å; F369-P419 HydrophobicContact CE1-CG 4.16Å; F369-P419 HydrophobicContact CG-CG 4.1Å; F392-P419 WeakPolarHBondContact O-CD 3.35Å; P419-A421 VanDerWaalsContact C-N 3.3Å; P419-A421 PolarHBondContact O-N 3.39Å; P419-A422 HydrophobicContact CB-CB 4.21Å; P419-A422 WeakPolarHBondContact O-CB 3.34Å; P419-A422 PolarHBondContact O-N 2.89Å; P419-R423 PolarHBondContact O-N 3.36Å
420	V	93.4	Very high	91.2	Very high	14 Å²	14	22.8 Å²	22.8	9%	0.085	12%	0.116	C	C	.	.	H	α-helix	trans	-63.5	-37.9	-169	177.4	0	0	0	0	111.5	P245 D248 E250 T264 V418 A422 R423 L424	P245-V420 HydrophobicContact CG-CB 4.21Å; P245-V420 HydrophobicContact CG-CG1 3.77Å; D248-V420 HydrophobicContact CB-CB 3.89Å; D248-V420 HydrophobicContact CB-CG2 3.88Å; D248-V420 WeakPolarHBondContact O-CG2 3.43Å; D248-V420 PolarHBondContact O-N 2.81Å; E250-V420 HydrophobicContact CB-CG2 4.16Å; T264-V420 HydrophobicContact CG2-CG2 4.25Å; V418-V420 PolarHBondContact O-N 2.94Å; V420-A422 VanDerWaalsContact C-N 3.27Å; V420-A422 PolarHBondContact O-N 3.11Å; V420-R423 PolarHBondContact O-N 3.1Å; V420-L424 HydrophobicContact CG1-CD1 3.98Å; V420-L424 HydrophobicContact CG1-CG 4.31Å; V420-L424 WeakPolarHBondContact O-CG 3.45Å; V420-L424 PolarHBondContact O-N 2.92Å
421	A	89.5	Confident	89.6	Confident	5 Å²	5	22.7 Å²	22.7	4%	0.041	13%	0.126	C	C	.	.	H	α-helix	trans	-56.8	-37.7	174.1	0	0	0	0	0	113.3	L244 L246 P419 L425	L244-A421 HydrophobicContact CB-CB 4.45Å; L246-A421 HydrophobicContact CD2-CB 4Å; P419-A421 VanDerWaalsContact C-N 3.3Å; P419-A421 PolarHBondContact O-N 3.39Å; A421-L425 WeakPolarHBondContact O-CB 3.33Å; A421-L425 WeakPolarHBondContact O-CD1 3.41Å; A421-L425 VanDerWaalsContact O-CG 3.25Å; A421-L425 WeakPolarHBondContact O-CG 3.29Å; A421-L425 PolarHBondContact O-N 3.47Å
422	A	92.6	Very high	87.5	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-70.8	-39.9	-179.8	0	0	0	0	0	112	F369 F374 F392 P419 V420 L425 L426	F369-A422 HydrophobicContact CE2-CB 4.09Å; F369-A422 HydrophobicContact CZ-CB 3.68Å; F374-A422 HydrophobicContact CD1-CB 4.11Å; F374-A422 HydrophobicContact CD2-CB 4.47Å; F374-A422 HydrophobicContact CE1-CB 3.86Å; F374-A422 WeakPolarHBondContact CE1-O 3.43Å; F374-A422 HydrophobicContact CE2-CB 4.26Å; F374-A422 HydrophobicContact CG-CB 4.41Å; F374-A422 HydrophobicContact CZ-CB 3.96Å; F374-A422 WeakPolarHBondContact CZ-O 3.42Å; F392-A422 HydrophobicContact CB-CB 3.54Å; F392-A422 HydrophobicContact CD1-CB 4.43Å; F392-A422 HydrophobicContact CG-CB 3.99Å; P419-A422 HydrophobicContact CB-CB 4.21Å; P419-A422 WeakPolarHBondContact O-CB 3.34Å; P419-A422 PolarHBondContact O-N 2.89Å; V420-A422 VanDerWaalsContact C-N 3.27Å; V420-A422 PolarHBondContact O-N 3.11Å; A422-L425 PolarHBondContact O-N 3.32Å; A422-L426 PolarHBondContact O-N 3.03Å
423	R	92.6	Very high	84.9	Confident	64 Å²	64	35.2 Å²	35.2	24%	0.242	19%	0.187	C	C	.	.	H	α-helix	trans	-59.3	-52.6	171.8	173.4	174.2	64.4	-139.3	4.9	111.3	E250 F392 V418 P419 V420 L425 L426 E427	E250-R423 IonicContact OE2-CZ 3.27Å; E250-R423 VanDerWaalsContact OE2-CZ 3.26Å; E250-R423 IonicContact OE2-NH1 3.95Å; E250-R423 PolarHBondContact OE2-NH1 2.79Å; E250-R423 IonicContact OE2-NH2 2.65Å; E250-R423 PolarHBondContact OE2-NH2 3.42Å; F392-R423 HydrophobicContact CE1-CB 4.41Å; F392-R423 HydrophobicContact CE2-CB 3.89Å; F392-R423 HydrophobicContact CZ-CB 3.82Å; F392-R423 HydrophobicContact CZ-CG 4.17Å; V418-R423 HydrophobicContact CG1-CB 4.19Å; P419-R423 PolarHBondContact O-N 3.36Å; V420-R423 PolarHBondContact O-N 3.1Å; R423-L425 VanDerWaalsContact C-N 3.29Å; R423-L425 PolarHBondContact O-N 3.45Å; R423-L426 PolarHBondContact O-N 3.42Å; R423-E427 VanDerWaalsContact CD-OE1 3.28Å; R423-E427 WeakPolarHBondContact CD-OE1 3.37Å; R423-E427 HydrophobicContact CG-CG 4.34Å; R423-E427 WeakPolarHBondContact CG-OE1 3.26Å; R423-E427 IonicContact NE-OE1 2.66Å; R423-E427 WeakPolarHBondContact O-CG 3.42Å; R423-E427 PolarHBondContact O-N 2.87Å
424	L	87.3	Confident	82.2	Confident	51 Å²	51	38.2 Å²	38.2	27%	0.267	21%	0.208	S	C	.	.	H	α-helix	trans	-59.2	-40.7	-179.5	-69.1	172	0	0	0	111.8	L244 P245 V420 E427 M428	L244-L424 HydrophobicContact CD2-CB 4.27Å; P245-L424 HydrophobicContact CG-CD1 3.72Å; V420-L424 HydrophobicContact CG1-CD1 3.98Å; V420-L424 HydrophobicContact CG1-CG 4.31Å; V420-L424 WeakPolarHBondContact O-CG 3.45Å; V420-L424 PolarHBondContact O-N 2.92Å; L424-E427 PolarHBondContact O-N 3.36Å; L424-M428 WeakPolarHBondContact O-CB 3.38Å; L424-M428 WeakPolarHBondContact O-CG 3.34Å; L424-M428 PolarHBondContact O-N 3.36Å
425	L	87.3	Confident	79.6	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-60.9	-42.9	173.6	-79	163.3	0	0	0	112.2	L234 L244 L371 F374 L375 L378 A421 A422 R423 F429	L234-L425 HydrophobicContact CD2-CD2 4.41Å; L244-L425 HydrophobicContact CD1-CD1 4.17Å; L244-L425 HydrophobicContact CD1-CD2 3.95Å; L244-L425 HydrophobicContact CD1-CG 4.03Å; L244-L425 HydrophobicContact CD2-CG 4.47Å; L371-L425 HydrophobicContact CD1-CD1 3.87Å; F374-L425 HydrophobicContact CE1-CB 3.99Å; F374-L425 HydrophobicContact CE1-CD1 4.38Å; L375-L425 HydrophobicContact CD2-CD1 3.78Å; L375-L425 HydrophobicContact CD2-CD2 4.15Å; L375-L425 HydrophobicContact CD2-CG 4.5Å; L378-L425 HydrophobicContact CD2-CB 3.99Å; A421-L425 WeakPolarHBondContact O-CB 3.33Å; A421-L425 WeakPolarHBondContact O-CD1 3.41Å; A421-L425 VanDerWaalsContact O-CG 3.25Å; A421-L425 WeakPolarHBondContact O-CG 3.29Å; A421-L425 PolarHBondContact O-N 3.47Å; A422-L425 PolarHBondContact O-N 3.32Å; R423-L425 VanDerWaalsContact C-N 3.29Å; R423-L425 PolarHBondContact O-N 3.45Å; L425-F429 HydrophobicContact CD2-CE2 4.37Å; L425-F429 WeakPolarHBondContact O-CB 3.49Å; L425-F429 WeakPolarHBondContact O-CD2 3.36Å; L425-F429 PolarHBondContact O-N 3.34Å
426	L	88.6	Confident	77	Confident	27 Å²	27	53.5 Å²	53.5	14%	0.141	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-44.2	175.5	-176.1	64.1	0	0	0	111.9	F374 L378 F381 P389 F392 A422 R423 F429 S430	F374-L426 HydrophobicContact CZ-CB 4.35Å; L378-L426 HydrophobicContact CD1-CD1 3.55Å; F381-L426 HydrophobicContact CD1-CD1 4.27Å; F381-L426 HydrophobicContact CE1-CD1 4.13Å; P389-L426 HydrophobicContact CB-CD1 3.79Å; P389-L426 HydrophobicContact CB-CD2 3.92Å; F392-L426 HydrophobicContact CE1-CB 4.24Å; F392-L426 HydrophobicContact CE1-CD2 3.76Å; A422-L426 PolarHBondContact O-N 3.03Å; R423-L426 PolarHBondContact O-N 3.42Å; L426-F429 PolarHBondContact O-N 2.8Å; L426-S430 WeakPolarHBondContact CD1-OG 3.34Å; L426-S430 WeakPolarHBondContact O-CB 3.49Å; L426-S430 PolarHBondContact O-N 3.27Å; L426-S430 PolarHBondContact O-OG 3.34Å
427	E	85.3	Confident	74.3	Confident	63 Å²	63	55.6 Å²	55.6	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-44	178.5	-70.5	167.9	-175.2	0	0	111.7	R423 L424 G431 E432	R423-E427 VanDerWaalsContact CD-OE1 3.28Å; R423-E427 WeakPolarHBondContact CD-OE1 3.37Å; R423-E427 HydrophobicContact CG-CG 4.34Å; R423-E427 WeakPolarHBondContact CG-OE1 3.26Å; R423-E427 IonicContact NE-OE1 2.66Å; R423-E427 WeakPolarHBondContact O-CG 3.42Å; R423-E427 PolarHBondContact O-N 2.87Å; L424-E427 PolarHBondContact O-N 3.36Å; E427-G431 PolarHBondContact O-N 2.95Å; E427-E432 PolarHBondContact O-N 3.26Å
428	M	79.9	Confident	71.8	Confident	66 Å²	66	63.2 Å²	63.2	33%	0.325	34%	0.339	S	S	.	.	H	α-helix	trans	-60.6	-44	174.3	-73.8	172.4	65.8	0	0	112.4	L237 L424 L433	L237-M428 HydrophobicContact CD1-CE 3.64Å; L237-M428 HydrophobicContact CD2-CE 3.92Å; L237-M428 HydrophobicContact CG-CE 4.46Å; L424-M428 WeakPolarHBondContact O-CB 3.38Å; L424-M428 WeakPolarHBondContact O-CG 3.34Å; L424-M428 PolarHBondContact O-N 3.36Å; M428-L433 HydrophobicContact CG-CD1 3.81Å
429	F	74.4	Confident	69	Low	24 Å²	24	68 Å²	68	11%	0.105	37%	0.373	C	S	.	.	H	α-helix	trans	-83	-23.4	-174.7	-82.9	-113.9	0	0	0	113.5	I230 L234 L237 L378 Q382 L425 L426 G431	I230-F429 HydrophobicContact CG2-CE1 3.68Å; I230-F429 HydrophobicContact CG2-CZ 3.83Å; L234-F429 HydrophobicContact CD1-CE1 4.08Å; L234-F429 HydrophobicContact CD1-CZ 4.15Å; L234-F429 HydrophobicContact CD2-CE1 3.97Å; L234-F429 HydrophobicContact CD2-CE2 3.79Å; L234-F429 HydrophobicContact CD2-CZ 3.28Å; L234-F429 HydrophobicContact CG-CE1 4.02Å; L234-F429 HydrophobicContact CG-CZ 3.58Å; L237-F429 HydrophobicContact CD1-CE2 4.42Å; L378-F429 HydrophobicContact CD1-CB 3.95Å; L378-F429 HydrophobicContact CD2-CB 4.06Å; L378-F429 HydrophobicContact CD2-CD1 4.19Å; L378-F429 HydrophobicContact CD2-CD2 4.11Å; L378-F429 HydrophobicContact CD2-CG 3.83Å; L378-F429 HydrophobicContact CG-CB 4.07Å; L378-F429 HydrophobicContact CG-CD1 4.14Å; L378-F429 HydrophobicContact CG-CG 4.09Å; Q382-F429 HydrophobicContact CB-CD1 4.29Å; Q382-F429 HydrophobicContact CG-CD1 4.28Å; Q382-F429 VanDerWaalsContact NE2-CD1 3.27Å; Q382-F429 VanDerWaalsContact OE1-CE1 3.32Å; L425-F429 HydrophobicContact CD2-CE2 4.37Å; L425-F429 WeakPolarHBondContact O-CB 3.49Å; L425-F429 WeakPolarHBondContact O-CD2 3.36Å; L425-F429 PolarHBondContact O-N 3.34Å; L426-F429 PolarHBondContact O-N 2.8Å; F429-G431 VanDerWaalsContact C-N 3.28Å
430	S	72.4	Confident	66.6	Low	61 Å²	61	73.2 Å²	73.2	43%	0.427	40%	0.399	S	S	.	.	H	α-helix	trans	-80.2	-8.2	175.3	-54.9	0	0	0	0	113.2	L426	L426-S430 WeakPolarHBondContact CD1-OG 3.34Å; L426-S430 WeakPolarHBondContact O-CB 3.49Å; L426-S430 PolarHBondContact O-N 3.27Å; L426-S430 PolarHBondContact O-OG 3.34Å
431	G	58.6	Low	64.4	Low	35 Å²	35	83 Å²	83	36%	0.361	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	7.9	173.5	0	0	0	0	0	115.6	E427 F429 L433 S434	E427-G431 PolarHBondContact O-N 2.95Å; F429-G431 VanDerWaalsContact C-N 3.28Å; G431-L433 PolarHBondContact O-N 3.43Å; G431-S434 WeakPolarHBondContact O-CB 3.43Å; G431-S434 PolarHBondContact O-N 2.95Å
432	E	49.8	Very low	62.7	Low	166 Å²	166	88.7 Å²	88.7	78%	0.776	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.6	169.4	-66.6	-167.8	151.5	0	0	112	E427	E427-E432 PolarHBondContact O-N 3.26Å
433	L	44.1	Very low	60.7	Low	102 Å²	102	96.9 Å²	96.9	53%	0.534	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	27.6	166.6	-70	164.6	0	0	0	112.6	M428 G431 W435	M428-L433 HydrophobicContact CG-CD1 3.81Å; G431-L433 PolarHBondContact O-N 3.43Å; L433-W435 PolarHBondContact O-N 3.2Å
434	S	41.3	Very low	59.8	Low	64 Å²	64	100.2 Å²	100.2	45%	0.448	52%	0.522	S	S	.	.			trans	-65.6	126.4	175.1	-173.8	0	0	0	0	110.8	G431 S436	G431-S434 WeakPolarHBondContact O-CB 3.43Å; G431-S434 PolarHBondContact O-N 2.95Å; S434-S436 PolarHBondContact O-N 3.45Å; S434-S436 WeakPolarHBondContact OG-CB 3.27Å; S434-S436 PolarHBondContact OG-N 3.32Å; S434-S436 PolarHBondContact OG-OG 2.97Å
435	W	43.4	Very low	58.6	Low	262 Å²	262	102.7 Å²	102.7	99%	0.992	54%	0.544	S	S	*	.			trans	-68.7	10.9	169.8	-72.8	87.3	0	0	0	113.6	L433 A437	L433-W435 PolarHBondContact O-N 3.2Å; W435-A437 VanDerWaalsContact C-N 3.32Å; W435-A437 PolarHBondContact O-N 3.49Å
436	S	44.6	Very low	58.1	Low	67 Å²	67	110.2 Å²	110.2	47%	0.469	58%	0.584	S	S	.	*			trans	-67.8	86.9	164	-58.3	0	0	0	0	110.5	S434 D438 S439	S434-S436 PolarHBondContact O-N 3.45Å; S434-S436 WeakPolarHBondContact OG-CB 3.27Å; S434-S436 PolarHBondContact OG-N 3.32Å; S434-S436 PolarHBondContact OG-OG 2.97Å; S436-D438 PolarHBondContact O-N 2.66Å; S436-S439 PolarHBondContact O-N 3.01Å
437	A	43	Very low	57.9	Low	77 Å²	77	112.7 Å²	112.7	64%	0.636	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-54.1	-16.6	177.7	0	0	0	0	0	114.4	W435 S439 I440	W435-A437 VanDerWaalsContact C-N 3.32Å; W435-A437 PolarHBondContact O-N 3.49Å; A437-S439 PolarHBondContact O-N 2.92Å; A437-I440 PolarHBondContact O-N 3.21Å
438	D	45.4	Very low	57.5	Low	161 Å²	161	113.4 Å²	113.4	86%	0.861	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-66.2	-15.7	178.2	-60.1	-36	0	0	0	114.8	S436	S436-D438 PolarHBondContact O-N 2.66Å
439	S	40.1	Very low	57.7	Low	105 Å²	105	117.2 Å²	117.2	73%	0.734	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-84.9	-20.1	178.7	-158.9	0	0	0	0	113.5	S436 A437 R441	S436-S439 PolarHBondContact O-N 3.01Å; A437-S439 PolarHBondContact O-N 2.92Å; S439-R441 PolarHBondContact O-N 3.2Å; S439-R441 VanDerWaalsContact O-N 3.1Å
440	I	44.9	Very low	58	Low	122 Å²	122	123.2 Å²	123.2	63%	0.626	66%	0.655	S	S	*	*			trans	-84.7	91.9	-175.9	-53	-179.3	0	0	0	110.4	A437 L442	A437-I440 PolarHBondContact O-N 3.21Å; I440-L442 VanDerWaalsContact C-N 3.27Å; I440-L442 HydrophobicContact CG2-CD2 3.68Å; I440-L442 HydrophobicContact CG2-CG 4.05Å; I440-L442 PolarHBondContact O-N 2.73Å
441	R	47.6	Very low	58.6	Low	221 Å²	221	124.1 Å²	124.1	83%	0.834	66%	0.655	S	S	*	*			trans	-71.6	77.7	169.3	-81.4	-173	158.4	-152.8	-4.8	112.2	S439 Q443	S439-R441 PolarHBondContact O-N 3.2Å; S439-R441 VanDerWaalsContact O-N 3.1Å; R441-Q443 PolarHBondContact O-N 3.2Å; R441-Q443 VanDerWaalsContact O-N 3.1Å; R441-Q443 PolarHBondContact O-NE2 3.3Å; R441-Q443 VanDerWaalsContact O-NE2 3.16Å
442	L	54.4	Low	59.7	Low	123 Å²	123	127.7 Å²	127.7	64%	0.644	66%	0.662	S	S	*	*			trans	-52.5	113.2	173.9	-64.8	175.8	0	0	0	111.3	I440 I444	I440-L442 VanDerWaalsContact C-N 3.27Å; I440-L442 HydrophobicContact CG2-CD2 3.68Å; I440-L442 HydrophobicContact CG2-CG 4.05Å; I440-L442 PolarHBondContact O-N 2.73Å; L442-I444 VanDerWaalsContact C-N 3.32Å; L442-I444 HydrophobicContact CB-CD1 4.01Å; L442-I444 HydrophobicContact CB-CG1 4.17Å; L442-I444 HydrophobicContact CD1-CD1 4.14Å; L442-I444 PolarHBondContact O-N 2.81Å; L442-I444 VanDerWaalsContact O-N 3.17Å
443	Q	49.7	Very low	61	Low	173 Å²	173	125.1 Å²	125.1	81%	0.808	65%	0.651	S	S	*	*			trans	-86.7	74.1	173.8	-62.5	-54.9	-64.6	0	0	109.6	R441	R441-Q443 PolarHBondContact O-N 3.2Å; R441-Q443 VanDerWaalsContact O-N 3.1Å; R441-Q443 PolarHBondContact O-NE2 3.3Å; R441-Q443 VanDerWaalsContact O-NE2 3.16Å
444	I	73.9	Confident	62.6	Low	133 Å²	133	123.8 Å²	123.8	68%	0.682	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-99.2	128.5	176.5	-61.6	169.2	0	0	0	108.2	L442	L442-I444 VanDerWaalsContact C-N 3.32Å; L442-I444 HydrophobicContact CB-CD1 4.01Å; L442-I444 HydrophobicContact CB-CG1 4.17Å; L442-I444 HydrophobicContact CD1-CD1 4.14Å; L442-I444 PolarHBondContact O-N 2.81Å; L442-I444 VanDerWaalsContact O-N 3.17Å
445	S	63	Low	64.7	Low	104 Å²	104	125.7 Å²	125.7	73%	0.727	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-65.3	153.2	175.2	-63.6	0	0	0	0	111.4
446	N	76.4	Confident	66.5	Low	158 Å²	158	119.3 Å²	119.3	85%	0.845	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-58.8	130.5	168.5	-68.9	-29.9	0	0	0	109.3
447	P	83.1	Confident	68.3	Low	79 Å²	79	122.5 Å²	122.5	51%	0.513	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-65.2	140.9	-175.3	26.2	-36.1	0	0	0	112	D451	P447-D451 WeakPolarHBondContact CA-OD2 3.21Å; P447-D451 HydrophobicContact CB-CB 3.69Å
448	D	78.3	Confident	70	Confident	78 Å²	78	124.4 Å²	124.4	42%	0.417	63%	0.63	S	S	.	*			trans	-91.1	-178.6	172	89.2	4.2	0	0	0	112.3	K450 D451 H452	D448-K450 PolarHBondContact O-N 3.18Å; D448-K450 VanDerWaalsContact OD1-CA 3.31Å; D448-K450 WeakPolarHBondContact OD1-CA 3.48Å; D448-K450 WeakPolarHBondContact OD1-CB 3.19Å; D448-K450 PolarHBondContact OD1-N 2.9Å; D448-D451 PolarHBondContact N-OD2 3.38Å; D448-D451 PolarHBondContact O-N 3.27Å; D448-D451 PolarHBondContact OD1-N 2.85Å; D448-D451 VanDerWaalsContact OD1-N 3.12Å; D448-H452 PolarHBondContact O-N 2.9Å
449	L	84.4	Confident	72	Confident	147 Å²	147	121.8 Å²	121.8	77%	0.77	61%	0.612	S	S	*	*	H	α-helix	trans	-61.3	-29.3	179.5	-75.6	169.4	0	0	0	113.5	M453	L449-M453 WeakPolarHBondContact O-CG 3.49Å; L449-M453 PolarHBondContact O-N 2.99Å; L449-M453 VanDerWaalsContact O-N 3.1Å
450	K	80	Confident	74.1	Confident	150 Å²	150	121.8 Å²	121.8	65%	0.652	60%	0.604	S	S	*	*	H	α-helix	trans	-75	-41.1	176.7	-54.5	169.9	-176.7	166.1	0	110.1	D448 H452 M453 V454	D448-K450 PolarHBondContact O-N 3.18Å; D448-K450 VanDerWaalsContact OD1-CA 3.31Å; D448-K450 WeakPolarHBondContact OD1-CA 3.48Å; D448-K450 WeakPolarHBondContact OD1-CB 3.19Å; D448-K450 PolarHBondContact OD1-N 2.9Å; K450-H452 VanDerWaalsContact C-N 3.27Å; K450-H452 PolarHBondContact O-N 3.17Å; K450-M453 CarbonylContact O-C 3.6Å; K450-M453 WeakPolarHBondContact O-CB 3.38Å; K450-M453 PolarHBondContact O-N 2.76Å; K450-M453 VanDerWaalsContact O-N 3.08Å; K450-V454 WeakPolarHBondContact O-CG2 3.39Å; K450-V454 PolarHBondContact O-N 3.48Å
451	D	83.9	Confident	75.7	Confident	80 Å²	80	120.7 Å²	120.7	43%	0.428	60%	0.596	S	S	.	*	H	α-helix	trans	-59	-42.3	174.2	-61	-44.5	0	0	0	110.8	P447 D448 M453 V454 E455	P447-D451 WeakPolarHBondContact CA-OD2 3.21Å; P447-D451 HydrophobicContact CB-CB 3.69Å; D448-D451 PolarHBondContact N-OD2 3.38Å; D448-D451 PolarHBondContact O-N 3.27Å; D448-D451 PolarHBondContact OD1-N 2.85Å; D448-D451 VanDerWaalsContact OD1-N 3.12Å; D451-M453 PolarHBondContact O-N 3.09Å; D451-V454 PolarHBondContact O-N 3.01Å; D451-E455 PolarHBondContact O-N 3.49Å
452	H	82.1	Confident	77.4	Confident	109 Å²	109	115.9 Å²	115.9	51%	0.505	58%	0.583	S	S	.	*	H	α-helix	trans	-61	-41.3	172.4	-78.5	26.3	0	0	0	113.1	D448 K450 V454 E455 Q456	D448-H452 PolarHBondContact O-N 2.9Å; K450-H452 VanDerWaalsContact C-N 3.27Å; K450-H452 PolarHBondContact O-N 3.17Å; H452-V454 VanDerWaalsContact C-N 3.35Å; H452-E455 PolarHBondContact O-N 3.33Å; H452-Q456 WeakPolarHBondContact O-CG 3.37Å; H452-Q456 PolarHBondContact O-N 3Å
453	M	76.5	Confident	78.8	Confident	112 Å²	112	113.3 Å²	113.3	55%	0.552	57%	0.569	S	S	*	*	H	α-helix	trans	-64.2	-38.9	173.9	-72.6	-179.9	67.9	0	0	112.1	L449 K450 D451 Q456 F457	L449-M453 WeakPolarHBondContact O-CG 3.49Å; L449-M453 PolarHBondContact O-N 2.99Å; L449-M453 VanDerWaalsContact O-N 3.1Å; K450-M453 CarbonylContact O-C 3.6Å; K450-M453 WeakPolarHBondContact O-CB 3.38Å; K450-M453 PolarHBondContact O-N 2.76Å; K450-M453 VanDerWaalsContact O-N 3.08Å; D451-M453 PolarHBondContact O-N 3.09Å; M453-Q456 PolarHBondContact O-N 2.87Å; M453-F457 HydrophobicContact CE-CE2 4.43Å; M453-F457 WeakPolarHBondContact O-CD2 3.47Å; M453-F457 PolarHBondContact O-N 3.24Å
454	V	78.6	Confident	80.3	Confident	74 Å²	74	111.6 Å²	111.6	45%	0.448	56%	0.555	S	S	.	*	H	α-helix	trans	-63.4	-42	176.2	171.6	0	0	0	0	111.2	K450 D451 H452 F457 K458	K450-V454 WeakPolarHBondContact O-CG2 3.39Å; K450-V454 PolarHBondContact O-N 3.48Å; D451-V454 PolarHBondContact O-N 3.01Å; H452-V454 VanDerWaalsContact C-N 3.35Å; V454-F457 PolarHBondContact O-N 2.99Å; V454-K458 HydrophobicContact CG1-CD 4.5Å; V454-K458 WeakPolarHBondContact O-CG 3.4Å; V454-K458 PolarHBondContact O-N 3.39Å
455	E	84.9	Confident	80.4	Confident	104 Å²	104	109.8 Å²	109.8	49%	0.486	54%	0.544	S	S	.	.	H	α-helix	trans	-62.2	-42.5	173.3	-71.2	-53.8	134.2	0	0	112.4	D451 H452 F457 K458 E459	D451-E455 PolarHBondContact O-N 3.49Å; H452-E455 PolarHBondContact O-N 3.33Å; E455-F457 VanDerWaalsContact C-N 3.31Å; E455-F457 PolarHBondContact O-N 3.43Å; E455-K458 PolarHBondContact O-N 2.99Å; E455-K458 IonicContact OE1-NZ 2.64Å; E455-K458 PolarHBondContact OE1-NZ 3.33Å; E455-E459 PolarHBondContact O-N 3.33Å
456	Q	81	Confident	81.1	Confident	129 Å²	129	107.3 Å²	107.3	60%	0.603	53%	0.526	S	S	*	.	H	α-helix	trans	-60.5	-38.5	173.6	-68.7	-67.2	-74.4	0	0	112.5	H452 M453 L460	H452-Q456 WeakPolarHBondContact O-CG 3.37Å; H452-Q456 PolarHBondContact O-N 3Å; M453-Q456 PolarHBondContact O-N 2.87Å; Q456-L460 WeakPolarHBondContact O-CB 3.3Å; Q456-L460 VanDerWaalsContact O-CG 3.3Å; Q456-L460 WeakPolarHBondContact O-CG 3.45Å; Q456-L460 PolarHBondContact O-N 2.85Å
457	F	82.9	Confident	81.1	Confident	134 Å²	134	105.8 Å²	105.8	59%	0.588	51%	0.514	S	S	*	.	H	α-helix	trans	-68.1	-38.6	174.4	-80.5	-63.3	0	0	0	113.1	M453 V454 E455 H461	M453-F457 HydrophobicContact CE-CE2 4.43Å; M453-F457 WeakPolarHBondContact O-CD2 3.47Å; M453-F457 PolarHBondContact O-N 3.24Å; V454-F457 PolarHBondContact O-N 2.99Å; E455-F457 VanDerWaalsContact C-N 3.31Å; E455-F457 PolarHBondContact O-N 3.43Å; F457-H461 VanDerWaalsContact O-CB 3.24Å; F457-H461 WeakPolarHBondContact O-CB 3.45Å; F457-H461 PolarHBondContact O-N 2.72Å
458	K	79.1	Confident	80.3	Confident	116 Å²	116	107.5 Å²	107.5	50%	0.504	52%	0.515	S	S	.	.	H	α-helix	trans	-60.7	-46	173.7	-72.5	172.3	-177.3	172	0	111.2	V454 E455 H461 H462	V454-K458 HydrophobicContact CG1-CD 4.5Å; V454-K458 WeakPolarHBondContact O-CG 3.4Å; V454-K458 PolarHBondContact O-N 3.39Å; E455-K458 PolarHBondContact O-N 2.99Å; E455-K458 IonicContact OE1-NZ 2.64Å; E455-K458 PolarHBondContact OE1-NZ 3.33Å; K458-H461 PolarHBondContact O-N 3.25Å; K458-H462 WeakPolarHBondContact O-CB 3.18Å; K458-H462 PolarHBondContact O-N 2.65Å
459	E	87.6	Confident	79.4	Confident	106 Å²	106	114.7 Å²	114.7	50%	0.495	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-49.2	179.3	-171.1	59.4	-147.9	0	0	111.4	E455 H461 H462 I463	E455-E459 PolarHBondContact O-N 3.33Å; E459-H461 VanDerWaalsContact C-N 3.31Å; E459-H461 PolarHBondContact O-N 3.49Å; E459-H462 PolarHBondContact O-N 2.64Å; E459-H462 VanDerWaalsContact O-N 3.15Å; E459-I463 HydrophobicContact CG-CD1 4.13Å; E459-I463 WeakPolarHBondContact O-CG1 3.1Å; E459-I463 PolarHBondContact O-N 3.36Å
460	L	83.3	Confident	78.1	Confident	105 Å²	105	114.2 Å²	114.2	55%	0.55	53%	0.534	S	S	.	.	H	α-helix	trans	-59	-40.9	176	-73.3	170.3	0	0	0	112.5	Q456 I463 W464	Q456-L460 WeakPolarHBondContact O-CB 3.3Å; Q456-L460 VanDerWaalsContact O-CG 3.3Å; Q456-L460 WeakPolarHBondContact O-CG 3.45Å; Q456-L460 PolarHBondContact O-N 2.85Å; L460-I463 PolarHBondContact O-N 3.13Å; L460-W464 WeakPolarHBondContact O-CB 3.37Å; L460-W464 PolarHBondContact O-N 2.72Å
461	H	80	Confident	76.8	Confident	100 Å²	100	115.1 Å²	115.1	46%	0.463	54%	0.54	S	S	.	.	H	α-helix	trans	-66	-40.2	176	178.5	-112.1	0	0	0	112	F457 K458 E459 W464 Q465	F457-H461 VanDerWaalsContact O-CB 3.24Å; F457-H461 WeakPolarHBondContact O-CB 3.45Å; F457-H461 PolarHBondContact O-N 2.72Å; K458-H461 PolarHBondContact O-N 3.25Å; E459-H461 VanDerWaalsContact C-N 3.31Å; E459-H461 PolarHBondContact O-N 3.49Å; H461-W464 PolarHBondContact O-N 3.41Å; H461-Q465 PolarHBondContact CE1-NE2 3.35Å; H461-Q465 PolarHBondContact NE2-NE2 3.28Å; H461-Q465 WeakPolarHBondContact O-CG 3.43Å; H461-Q465 PolarHBondContact O-N 2.78Å
462	H	83.2	Confident	75.2	Confident	120 Å²	120	116.9 Å²	116.9	56%	0.556	56%	0.556	S	S	*	*	H	α-helix	trans	-65.9	-41.9	176.1	-166.6	-87.8	0	0	0	112	K458 E459 Q465 S466	K458-H462 WeakPolarHBondContact O-CB 3.18Å; K458-H462 PolarHBondContact O-N 2.65Å; E459-H462 PolarHBondContact O-N 2.64Å; E459-H462 VanDerWaalsContact O-N 3.15Å; H462-Q465 PolarHBondContact O-N 3.21Å; H462-S466 PolarHBondContact O-N 3.03Å; H462-S466 PolarHBondContact O-OG 3.39Å
463	I	83.6	Confident	73.4	Confident	68 Å²	68	120.1 Å²	120.1	35%	0.349	57%	0.574	S	S	.	*	H	α-helix	trans	-60.3	-47.5	172.9	-67.3	165.9	0	0	0	110.2	E459 L460 Q465 S466 Q467	E459-I463 HydrophobicContact CG-CD1 4.13Å; E459-I463 WeakPolarHBondContact O-CG1 3.1Å; E459-I463 PolarHBondContact O-N 3.36Å; L460-I463 PolarHBondContact O-N 3.13Å; I463-Q465 PolarHBondContact O-N 3.5Å; I463-S466 PolarHBondContact O-N 2.78Å; I463-S466 PolarHBondContact O-OG 2.67Å; I463-Q467 WeakPolarHBondContact O-CG 3.45Å; I463-Q467 PolarHBondContact O-N 3.46Å
464	W	80.9	Confident	71.9	Confident	138 Å²	138	121.6 Å²	121.6	52%	0.523	59%	0.589	S	S	.	*	H	α-helix	trans	-59.7	-45.3	177.8	178.1	85.2	0	0	0	112.6	L460 H461 S466 Q467 Q468	L460-W464 WeakPolarHBondContact O-CB 3.37Å; L460-W464 PolarHBondContact O-N 2.72Å; H461-W464 PolarHBondContact O-N 3.41Å; W464-S466 VanDerWaalsContact C-N 3.35Å; W464-S466 PolarHBondContact O-N 3.36Å; W464-Q467 PolarHBondContact O-N 2.91Å; W464-Q468 PolarHBondContact O-N 3.14Å; W464-Q468 VanDerWaalsContact O-N 3.07Å
465	Q	75.8	Confident	70.4	Confident	95 Å²	95	126.4 Å²	126.4	44%	0.444	61%	0.607	S	S	.	*	H	α-helix	trans	-61.3	-40.6	174.8	-73.7	-170.6	-10.5	0	0	112.4	H461 H462 I463 Q468 R469	H461-Q465 PolarHBondContact CE1-NE2 3.35Å; H461-Q465 PolarHBondContact NE2-NE2 3.28Å; H461-Q465 WeakPolarHBondContact O-CG 3.43Å; H461-Q465 PolarHBondContact O-N 2.78Å; H462-Q465 PolarHBondContact O-N 3.21Å; I463-Q465 PolarHBondContact O-N 3.5Å; Q465-Q468 PolarHBondContact O-N 3.42Å; Q465-R469 PolarHBondContact O-N 3.14Å
466	S	76.4	Confident	68.1	Low	52 Å²	52	125.9 Å²	125.9	36%	0.364	62%	0.62	S	S	.	*	H	α-helix	trans	-67.4	-35.8	178.2	70.9	0	0	0	0	112.8	H462 I463 W464 R469	H462-S466 PolarHBondContact O-N 3.03Å; H462-S466 PolarHBondContact O-OG 3.39Å; I463-S466 PolarHBondContact O-N 2.78Å; I463-S466 PolarHBondContact O-OG 2.67Å; W464-S466 VanDerWaalsContact C-N 3.35Å; W464-S466 PolarHBondContact O-N 3.36Å; S466-R469 WeakPolarHBondContact O-CB 3.48Å; S466-R469 PolarHBondContact O-N 2.72Å
467	Q	77.2	Confident	66.4	Low	125 Å²	125	125.4 Å²	125.4	58%	0.584	63%	0.628	S	S	*	*	H	α-helix	trans	-69.1	-37.6	175.5	-71.9	-178.6	6.3	0	0	112.8	I463 W464 R469 L470	I463-Q467 WeakPolarHBondContact O-CG 3.45Å; I463-Q467 PolarHBondContact O-N 3.46Å; W464-Q467 PolarHBondContact O-N 2.91Å; Q467-R469 PolarHBondContact O-N 3.49Å; Q467-L470 PolarHBondContact O-N 3.14Å
468	Q	66.7	Low	64.7	Low	116 Å²	116	125.1 Å²	125.1	54%	0.542	64%	0.639	S	S	.	*	H	α-helix	trans	-61.7	-33.6	172.3	-73.8	-164.8	-18.2	0	0	112.5	W464 Q465 L470	W464-Q468 PolarHBondContact O-N 3.14Å; W464-Q468 VanDerWaalsContact O-N 3.07Å; Q465-Q468 PolarHBondContact O-N 3.42Å; Q468-L470 PolarHBondContact O-N 2.94Å
469	R	59.3	Low	62.7	Low	228 Å²	228	128.9 Å²	128.9	86%	0.86	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-10.5	178.3	-133.6	-178.7	-167.5	-175.1	5	114.4	Q465 S466 Q467	Q465-R469 PolarHBondContact O-N 3.14Å; S466-R469 WeakPolarHBondContact O-CB 3.48Å; S466-R469 PolarHBondContact O-N 2.72Å; Q467-R469 PolarHBondContact O-N 3.49Å
470	L	57.2	Low	60.4	Low	137 Å²	137	128.8 Å²	128.8	72%	0.717	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	2	-173.2	-79.7	166.4	0	0	0	114.6	Q467 Q468 P472	Q467-L470 PolarHBondContact O-N 3.14Å; Q468-L470 PolarHBondContact O-N 2.94Å; L470-P472 VanDerWaalsContact O-CD 3.27Å; L470-P472 WeakPolarHBondContact O-CD 3.49Å
471	Q	52	Low	58.1	Low	169 Å²	169	126.8 Å²	126.8	79%	0.79	68%	0.684	S	S	*	*			trans	-78.1	117.2	171.9	-70.3	-158	-3.3	0	0	111.2
472	P	49.9	Very low	56	Low	117 Å²	117	131 Å²	131	76%	0.76	71%	0.708	S	S	*	*			trans	-78.4	132	178.5	-9.9	28	0	0	0	110.9	L470 V474	L470-P472 VanDerWaalsContact O-CD 3.27Å; L470-P472 WeakPolarHBondContact O-CD 3.49Å; P472-V474 PolarHBondContact O-N 3.36Å; P472-V474 VanDerWaalsContact O-N 3.16Å
473	M	44.5	Very low	53.6	Low	178 Å²	178	128.8 Å²	128.8	88%	0.877	72%	0.718	S	S	*	*			trans	-63.5	112.1	170.2	-174.9	-179.8	-175.2	0	0	109.8	Q475	M473-Q475 PolarHBondContact O-N 3.32Å
474	V	46.6	Very low	51.4	Low	143 Å²	143	130.6 Å²	130.6	87%	0.867	74%	0.744	S	S	*	*			trans	-66	108	176.2	179.6	0	0	0	0	109.2	P472	P472-V474 PolarHBondContact O-N 3.36Å; P472-V474 VanDerWaalsContact O-N 3.16Å
475	Q	45.7	Very low	49.2	Very low	175 Å²	175	127.4 Å²	127.4	82%	0.818	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-76.1	127.4	175.1	-69.4	-178.2	-15.6	0	0	110.3	M473	M473-Q475 PolarHBondContact O-N 3.32Å
476	A	37.7	Very low	47.4	Very low	92 Å²	92	132.3 Å²	132.3	76%	0.76	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-76.6	141.9	168.1	0	0	0	0	0	110.5
477	P	45.1	Very low	45.3	Very low	119 Å²	119	133.3 Å²	133.3	77%	0.773	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-76.8	157.1	-176.9	32	-35.8	0	0	0	112.5
478	P	47.7	Very low	44.1	Very low	128 Å²	128	133 Å²	133	83%	0.831	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-80.5	138.5	-175.4	32.5	-34.8	0	0	0	112.3
479	M	37.2	Very low	42.6	Very low	195 Å²	195	138.8 Å²	138.8	96%	0.961	82%	0.821	S	S	*	*			trans	-122.3	141.3	158	-96.5	-132.6	-175.8	0	0	110.4
480	A	37.9	Very low	42.3	Very low	104 Å²	104	132.9 Å²	132.9	86%	0.86	81%	0.812	S	S	*	*			trans	-92.5	155.3	-174.6	0	0	0	0	0	112.2
481	G	35.5	Very low	41.1	Very low	64 Å²	64	134 Å²	134	66%	0.66	82%	0.815	S	S	*	*			trans	114.9	125.6	147.8	0	0	0	0	0	116.8
482	L	36.6	Very low	40.4	Very low	187 Å²	187	134.2 Å²	134.2	98%	0.979	82%	0.816	S	S	*	*			trans	68.8	130.6	142.5	-62.6	153.8	0	0	0	119.1
483	G	33.2	Very low	40.7	Very low	74 Å²	74	133.6 Å²	133.6	76%	0.763	81%	0.812	S	S	*	*			trans	123.5	91.7	136.8	0	0	0	0	0	117.3
484	A	35.9	Very low	40.4	Very low	107 Å²	107	131.9 Å²	131.9	88%	0.884	81%	0.811	S	S	*	*			trans	16.2	109.1	139	0	0	0	0	0	120.4
485	G	35.8	Very low	39.9	Very low	71 Å²	71	128.7 Å²	128.7	73%	0.732	81%	0.807	S	S	*	*				86.5	162	119.2	0	0	0	0	0	120.4
486	Q	36.8	Very low	39.7	Very low	198 Å²	198	129.2 Å²	129.2	93%	0.925	81%	0.812	S	S	*	*			trans	74.7	119.9	172.8	-50.9	-174.5	38.5	0	0	116.8
487	G	34	Very low	39.8	Very low	72 Å²	72	137.7 Å²	137.7	74%	0.742	84%	0.836	S	S	*	*			trans	-87.7	-150	153.1	0	0	0	0	0	109.9
488	P	50	Low	39.5	Very low	119 Å²	119	138.6 Å²	138.6	77%	0.773	84%	0.839	S	S	*	*			cis	-126.8	-172.1	-1.8	30.5	-8.1	0	0	0	113.9
489	W	36.3	Very low	39.1	Very low	238 Å²	238	139.2 Å²	139.2	90%	0.902	84%	0.839	S	S	*	*			trans	-17	161.9	152.7	-54.5	99	0	0	0	117.9
490	P	52.2	Low	39.2	Very low	104 Å²	104	136.1 Å²	136.1	68%	0.675	83%	0.832	S	S	*	*			cis	-159.4	-168.5	37.9	43.3	-19.1	0	0	0	120
491	M	33.2	Very low	39.3	Very low	159 Å²	159	137.9 Å²	137.9	78%	0.783	83%	0.831	S	S	*	*			trans	71.5	103.7	153.7	-60.5	-45.5	-166.8	0	0	122.8
492	H	37.7	Very low	39.5	Very low	174 Å²	174	142.6 Å²	142.6	81%	0.806	84%	0.841	S	S	*	*				15.6	162.9	101.6	-77.4	-52.1	0	0	0	121.1
493	P	54.8	Low	39.7	Very low	105 Å²	105	139.6 Å²	139.6	68%	0.682	83%	0.832	S	S	*	*			cis	-146.1	-169	-21.1	37.6	-15.9	0	0	0	115.6
494	V	39.1	Very low	40.2	Very low	142 Å²	142	144.3 Å²	144.3	86%	0.861	84%	0.837	S	S	*	*			trans	72.4	133.6	157.6	-176.9	0	0	0	0	119.3
495	G	35.4	Very low	40.5	Very low	76 Å²	76	147.2 Å²	147.2	78%	0.784	83%	0.834	S	S	*	*			trans	-180	91.8	159.9	0	0	0	0	0	112.2
496	M	41.3	Very low	40.9	Very low	186 Å²	186	153.5 Å²	153.5	92%	0.916	84%	0.842	S	S	*	*			trans	-75.9	142.6	168.1	-77	179.9	164.8	0	0	110.7
497	Q	40.2	Very low	41.3	Very low	269 Å²	269	149.5 Å²	149.5	100%	1.257	84%	0.835	S	S	*	*				-154.1	0	122	-154.4	149.7	86.8	0	0	110.8

Retrieved 497 of 497 residues in 379.9 ms (Link to these results)

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