A0A5K4F025_SCHMA Loading...

RBR-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A5K4F025, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 581 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	79.4	Confident	86.4	Confident	157 Å²	157	59.1 Å²	59.1	77%	0.773	36%	0.355	S	S	*	.				0	167.3	0	-64.2	-53.6	-161.3	0	0	109.5	F3 F11	M1-F3 HydrophobicContact CB-CE2 4.42Å; M1-F11 CarbonylContact C-O 3.48Å; M1-F11 VanDerWaalsContact CA-O 3.26Å; M1-F11 WeakPolarHBondContact CA-O 3.47Å
2	L	82.8	Confident	86.9	Confident	26 Å²	26	58.3 Å²	58.3	14%	0.136	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149.8	151	-79.8	172.6	0	0	0	108	S10 F11 R13 L16 L53	L2-S10 CarbonylContact O-C 3.59Å; L2-S10 WeakPolarHBondContact O-CA 3.28Å; L2-F11 PolarHBondContact N-O 3.22Å; L2-F11 PolarHBondContact O-N 3.23Å; L2-R13 HydrophobicContact CD1-CG 3.77Å; L2-R13 HydrophobicContact CG-CG 3.86Å; L2-L16 HydrophobicContact CB-CD2 4.47Å; L2-L53 HydrophobicContact CD1-CD2 3.59Å; L2-L53 HydrophobicContact CD1-CG 4.04Å
3	F	87.7	Confident	87.2	Confident	142 Å²	142	63.2 Å²	63.2	62%	0.623	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.5	173.4	-66.2	-96.5	0	0	0	108.3	M1 S5	M1-F3 HydrophobicContact CB-CE2 4.42Å; F3-S5 PolarHBondContact O-N 3.37Å
4	L	86	Confident	87.3	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.016	38%	0.379	C	S	.	.			trans	-80.1	117.1	174.4	-64.4	-176.7	0	0	0	110.1	A6 C7 G8 C9 F11 L16 C34 L45	L4-A6 PolarHBondContact O-N 3.17Å; L4-C7 PolarHBondContact O-N 3.37Å; L4-C7 VanDerWaalsContact O-N 3.15Å; L4-G8 WeakPolarHBondContact O-CA 3.4Å; L4-G8 PolarHBondContact O-N 3.44Å; L4-C9 PolarHBondContact N-O 3.12Å; L4-F11 HydrophobicContact CD1-CD2 4.27Å; L4-F11 HydrophobicContact CD1-CE2 3.72Å; L4-F11 HydrophobicContact CG-CD2 4.31Å; L4-F11 HydrophobicContact CG-CE2 4.17Å; L4-L16 HydrophobicContact CD2-CD2 3.98Å; L4-C34 HydrophobicContact CD1-CB 4.03Å; L4-L45 HydrophobicContact CD1-CD1 3.71Å; L4-L45 HydrophobicContact CD2-CD1 3.75Å; L4-L45 HydrophobicContact CD2-CG 3.68Å; L4-L45 HydrophobicContact CG-CD1 4.41Å
5	S	85.5	Confident	87.4	Confident	88 Å²	88	67.9 Å²	67.9	62%	0.615	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-37	177.4	53.4	0	0	0	0	113.2	F3 C7 T46 E49	F3-S5 PolarHBondContact O-N 3.37Å; S5-C7 PolarHBondContact O-N 3.08Å; S5-T46 WeakPolarHBondContact OG-CG2 3.47Å; S5-E49 VanDerWaalsContact CB-OE1 3.29Å; S5-E49 WeakPolarHBondContact CB-OE1 3.22Å; S5-E49 PolarHBondContact N-OE1 2.93Å; S5-E49 PolarHBondContact OG-OE1 3.39Å
6	A	84.5	Confident	87.4	Confident	38 Å²	38	63.8 Å²	63.8	31%	0.314	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-2.7	-177.6	0	0	0	0	0	115.7	L4 Q41 Q44	L4-A6 PolarHBondContact O-N 3.17Å; A6-Q41 PolarHBondContact O-OE1 3.03Å; A6-Q44 WeakPolarHBondContact CB-O 3.29Å
7	C	89.3	Confident	87.5	Confident	18 Å²	18	63.6 Å²	63.6	12%	0.122	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-160.3	1.4	178.9	64.3	0	0	0	0	117.4	L4 S5 C9 C34 C39 Q41	L4-C7 PolarHBondContact O-N 3.37Å; L4-C7 VanDerWaalsContact O-N 3.15Å; S5-C7 PolarHBondContact O-N 3.08Å; C7-C9 PolarHBondContact O-N 3.36Å; C7-C9 VanDerWaalsContact SG-SG 3.63Å; C7-C34 VanDerWaalsContact SG-SG 3.66Å; C7-C39 WeakPolarHBondContact CB-SG 3.17Å; C7-C39 VanDerWaalsContact SG-SG 3.63Å; C7-Q41 HydrophobicContact CB-CB 4.08Å
8	G	87.8	Confident	87.4	Confident	52 Å²	52	64 Å²	64	54%	0.536	36%	0.359	S	S	.	.			trans	70.5	-11.3	-178.7	0	0	0	0	0	116.1	L4 S10	L4-G8 WeakPolarHBondContact O-CA 3.4Å; L4-G8 PolarHBondContact O-N 3.44Å; G8-S10 PolarHBondContact O-N 3.4Å
9	C	88.8	Confident	87.3	Confident	29 Å²	29	64.2 Å²	64.2	20%	0.196	36%	0.355	C	S	.	.			trans	-60.1	136.2	179.1	-59.5	0	0	0	0	111.4	L4 C7 F11 C34 C39	L4-C9 PolarHBondContact N-O 3.12Å; C7-C9 PolarHBondContact O-N 3.36Å; C7-C9 VanDerWaalsContact SG-SG 3.63Å; C9-F11 HydrophobicContact CB-CE2 3.65Å; C9-F11 HydrophobicContact CB-CZ 3.95Å; C9-C34 VanDerWaalsContact SG-SG 3.69Å; C9-C39 VanDerWaalsContact SG-SG 3.69Å
10	S	89.8	Confident	87.1	Confident	57 Å²	57	61 Å²	61	40%	0.399	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.9	-176.4	70.4	0	0	0	0	113.3	L2 G8	L2-S10 CarbonylContact O-C 3.59Å; L2-S10 WeakPolarHBondContact O-CA 3.28Å; G8-S10 PolarHBondContact O-N 3.4Å
11	F	89.2	Confident	86.9	Confident	40 Å²	40	60.4 Å²	60.4	18%	0.175	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	162.2	-174.9	-58.1	-80.8	0	0	0	112	M1 L2 L4 C9 L16 P35	M1-F11 CarbonylContact C-O 3.48Å; M1-F11 VanDerWaalsContact CA-O 3.26Å; M1-F11 WeakPolarHBondContact CA-O 3.47Å; L2-F11 PolarHBondContact N-O 3.22Å; L2-F11 PolarHBondContact O-N 3.23Å; L4-F11 HydrophobicContact CD1-CD2 4.27Å; L4-F11 HydrophobicContact CD1-CE2 3.72Å; L4-F11 HydrophobicContact CG-CD2 4.31Å; L4-F11 HydrophobicContact CG-CE2 4.17Å; C9-F11 HydrophobicContact CB-CE2 3.65Å; C9-F11 HydrophobicContact CB-CZ 3.95Å; F11-L16 HydrophobicContact CB-CB 4.25Å; F11-L16 HydrophobicContact CB-CD1 4.48Å; F11-L16 HydrophobicContact CB-CD2 4.45Å; F11-L16 HydrophobicContact CD2-CD1 4.1Å; F11-L16 HydrophobicContact CD2-CD2 4.5Å; F11-L16 HydrophobicContact CG-CD1 4.33Å; F11-P35 HydrophobicContact CE1-CB 3.87Å; F11-P35 HydrophobicContact CE1-CG 4.28Å; F11-P35 HydrophobicContact CE2-CG 4.37Å; F11-P35 HydrophobicContact CZ-CB 3.97Å; F11-P35 HydrophobicContact CZ-CG 4.13Å
12	C	91.9	Very high	86.8	Confident	50 Å²	50	55.7 Å²	55.7	34%	0.338	31%	0.313	S	S	.	.			trans	-75.3	142	169	100.1	0	0	0	0	110.4	Q14 C15 L16	C12-Q14 VanDerWaalsContact C-N 3.29Å; C12-Q14 PolarHBondContact O-N 3.32Å; C12-C15 HydrophobicContact CB-CB 4.1Å; C12-C15 WeakPolarHBondContact CB-SG 3.42Å; C12-C15 VanDerWaalsContact O-CB 3.26Å; C12-C15 WeakPolarHBondContact O-CB 3.32Å; C12-C15 PolarHBondContact O-N 3.28Å; C12-C15 WeakPolarHBondContact SG-CB 3.5Å; C12-C15 PolarHBondContact SG-N 3.28Å; C12-C15 CovalentContact SG-SG 2.05Å; C12-C15 PolarHBondContact SG-SG 2.85Å; C12-L16 PolarHBondContact O-N 3.29Å
13	R	90.2	Very high	86.5	Confident	122 Å²	122	55.7 Å²	55.7	46%	0.46	31%	0.314	S	S	.	.	H	α-helix	trans	-54.3	-45.3	-177.9	-79.5	-166.6	-176.4	-117.3	-1	111.9	L2 C15 L16 K17 E52	L2-R13 HydrophobicContact CD1-CG 3.77Å; L2-R13 HydrophobicContact CG-CG 3.86Å; R13-C15 VanDerWaalsContact C-N 3.33Å; R13-C15 PolarHBondContact O-N 3.41Å; R13-L16 PolarHBondContact O-N 2.82Å; R13-K17 VanDerWaalsContact O-CB 3.24Å; R13-K17 WeakPolarHBondContact O-CB 3.25Å; R13-K17 PolarHBondContact O-N 3.26Å; R13-E52 IonicContact CZ-OE1 3.04Å; R13-E52 IonicContact NH1-OE1 2.71Å; R13-E52 PolarHBondContact NH1-OE1 3.08Å; R13-E52 IonicContact NH2-OE1 3.57Å; R13-E52 PolarHBondContact NH2-OE1 3.17Å
14	Q	88.6	Confident	85.9	Confident	128 Å²	128	49.7 Å²	49.7	60%	0.598	29%	0.288	S	S	*	.	H	α-helix	trans	-64.1	-38.4	179.4	-172	63.5	3.5	0	0	112.3	C12 T18	C12-Q14 VanDerWaalsContact C-N 3.29Å; C12-Q14 PolarHBondContact O-N 3.32Å; Q14-T18 WeakPolarHBondContact O-CB 3.37Å; Q14-T18 PolarHBondContact O-N 3.49Å; Q14-T18 PolarHBondContact O-OG1 3.42Å
15	C	88.7	Confident	85.2	Confident	68 Å²	68	57.8 Å²	57.8	46%	0.459	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-50.9	177.7	-53	0	0	0	0	110.3	C12 R13 T18 Y19	C12-C15 HydrophobicContact CB-CB 4.1Å; C12-C15 WeakPolarHBondContact CB-SG 3.42Å; C12-C15 VanDerWaalsContact O-CB 3.26Å; C12-C15 WeakPolarHBondContact O-CB 3.32Å; C12-C15 PolarHBondContact O-N 3.28Å; C12-C15 WeakPolarHBondContact SG-CB 3.5Å; C12-C15 PolarHBondContact SG-N 3.28Å; C12-C15 CovalentContact SG-SG 2.05Å; C12-C15 PolarHBondContact SG-SG 2.85Å; R13-C15 VanDerWaalsContact C-N 3.33Å; R13-C15 PolarHBondContact O-N 3.41Å; C15-T18 PolarHBondContact O-N 2.99Å; C15-Y19 PolarHBondContact O-N 2.88Å
16	L	88.7	Confident	84.1	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-71.5	-38.4	-176.9	-162.7	60.2	0	0	0	111.8	L2 L4 F11 C12 R13 T18 Y19 V20 P35 L45 L53	L2-L16 HydrophobicContact CB-CD2 4.47Å; L4-L16 HydrophobicContact CD2-CD2 3.98Å; F11-L16 HydrophobicContact CB-CB 4.25Å; F11-L16 HydrophobicContact CB-CD1 4.48Å; F11-L16 HydrophobicContact CB-CD2 4.45Å; F11-L16 HydrophobicContact CD2-CD1 4.1Å; F11-L16 HydrophobicContact CD2-CD2 4.5Å; F11-L16 HydrophobicContact CG-CD1 4.33Å; C12-L16 PolarHBondContact O-N 3.29Å; R13-L16 PolarHBondContact O-N 2.82Å; L16-T18 VanDerWaalsContact C-N 3.34Å; L16-T18 PolarHBondContact O-N 3.2Å; L16-Y19 PolarHBondContact O-N 3.09Å; L16-V20 WeakPolarHBondContact O-CG2 3.38Å; L16-V20 PolarHBondContact O-N 3.48Å; L16-P35 HydrophobicContact CD1-CG 3.69Å; L16-L45 HydrophobicContact CD1-CD1 4.44Å; L16-L45 HydrophobicContact CD1-CD2 4.05Å; L16-L45 HydrophobicContact CG-CD2 4.2Å; L16-L53 HydrophobicContact CB-CD1 4.32Å; L16-L53 HydrophobicContact CB-CD2 3.95Å; L16-L53 HydrophobicContact CD2-CD1 3.71Å; L16-L53 HydrophobicContact CD2-CD2 4.18Å; L16-L53 HydrophobicContact CG-CD1 3.66Å; L16-L53 HydrophobicContact CG-CD2 4.17Å
17	K	88.1	Confident	82.8	Confident	62 Å²	62	61.4 Å²	61.4	27%	0.27	32%	0.319	S	S	.	.	H	α-helix	trans	-58.9	-44.1	170.1	-179.9	174.7	-178.1	172.7	0	111.7	R13 V20 I21 L53	R13-K17 VanDerWaalsContact O-CB 3.24Å; R13-K17 WeakPolarHBondContact O-CB 3.25Å; R13-K17 PolarHBondContact O-N 3.26Å; K17-V20 PolarHBondContact O-N 3.43Å; K17-I21 HydrophobicContact CG-CD1 3.9Å; K17-I21 WeakPolarHBondContact O-CD1 3.34Å; K17-I21 VanDerWaalsContact O-CG1 3.26Å; K17-I21 WeakPolarHBondContact O-CG1 3.31Å; K17-I21 PolarHBondContact O-N 2.84Å; K17-L53 HydrophobicContact CB-CD2 4.41Å; K17-L53 WeakPolarHBondContact CD-O 3.39Å
18	T	85.6	Confident	81.3	Confident	70 Å²	70	65.9 Å²	65.9	43%	0.429	35%	0.346	S	S	.	.	H	α-helix	trans	-65.1	-44.2	178.1	-55.8	0	0	0	0	111	Q14 C15 L16 I21 T22	Q14-T18 WeakPolarHBondContact O-CB 3.37Å; Q14-T18 PolarHBondContact O-N 3.49Å; Q14-T18 PolarHBondContact O-OG1 3.42Å; C15-T18 PolarHBondContact O-N 2.99Å; L16-T18 VanDerWaalsContact C-N 3.34Å; L16-T18 PolarHBondContact O-N 3.2Å; T18-I21 PolarHBondContact O-N 2.8Å; T18-T22 PolarHBondContact O-N 3.4Å; T18-T22 PolarHBondContact O-OG1 2.89Å
19	Y	86	Confident	80.1	Confident	68 Å²	68	67.5 Å²	67.5	27%	0.267	34%	0.342	S	S	.	.	H	α-helix	trans	-56.3	-51.5	175	172.1	-97.6	0	0	0	112.2	C15 L16 I21 T22 V23 C32 A33 P35	C15-Y19 PolarHBondContact O-N 2.88Å; L16-Y19 PolarHBondContact O-N 3.09Å; Y19-I21 VanDerWaalsContact C-N 3.3Å; Y19-I21 PolarHBondContact O-N 3.33Å; Y19-T22 PolarHBondContact O-N 2.84Å; Y19-T22 VanDerWaalsContact O-N 3.11Å; Y19-V23 HydrophobicContact CD1-CG2 4.33Å; Y19-V23 HydrophobicContact CD2-CG2 4.39Å; Y19-V23 HydrophobicContact CE1-CG2 3.85Å; Y19-V23 HydrophobicContact CE2-CG2 3.92Å; Y19-V23 WeakPolarHBondContact O-CG2 3.42Å; Y19-V23 PolarHBondContact O-N 2.91Å; Y19-C32 HydrophobicContact CE1-CB 4.22Å; Y19-A33 VanDerWaalsContact CE1-O 3.23Å; Y19-A33 WeakPolarHBondContact CE1-O 3.28Å; Y19-A33 PolarHBondContact OH-O 3.44Å; Y19-A33 VanDerWaalsContact OH-O 3.08Å; Y19-P35 HydrophobicContact CD1-CG 3.7Å; Y19-P35 HydrophobicContact CD2-CB 4.23Å; Y19-P35 HydrophobicContact CD2-CG 4.03Å; Y19-P35 HydrophobicContact CE1-CG 3.92Å; Y19-P35 HydrophobicContact CE2-CB 4.39Å; Y19-P35 HydrophobicContact CE2-CG 4.24Å; Y19-P35 HydrophobicContact CG-CB 4.41Å; Y19-P35 HydrophobicContact CG-CG 3.76Å
20	V	83.2	Confident	79.1	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61	-39	179.2	174.2	0	0	0	0	111.6	L16 K17 T22 V23 L24 C32 L45 I50 L53 L54	L16-V20 WeakPolarHBondContact O-CG2 3.38Å; L16-V20 PolarHBondContact O-N 3.48Å; K17-V20 PolarHBondContact O-N 3.43Å; V20-T22 PolarHBondContact O-N 2.8Å; V20-V23 PolarHBondContact O-N 3.44Å; V20-L24 HydrophobicContact CG1-CD1 4.13Å; V20-L24 WeakPolarHBondContact O-CB 3.47Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 2.87Å; V20-C32 HydrophobicContact CG2-CB 4.49Å; V20-L45 HydrophobicContact CG2-CD2 3.53Å; V20-I50 HydrophobicContact CG1-CG2 4.22Å; V20-L53 HydrophobicContact CG2-CD1 4.36Å; V20-L54 HydrophobicContact CG1-CD1 3.88Å; V20-L54 HydrophobicContact CG1-CD2 4.08Å; V20-L54 HydrophobicContact CG1-CG 4.2Å
21	I	82.6	Confident	78.4	Confident	48 Å²	48	68.3 Å²	68.3	25%	0.246	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-35.9	175.8	-69.7	168	0	0	0	112	K17 T18 Y19 L24 R25 L54	K17-I21 HydrophobicContact CG-CD1 3.9Å; K17-I21 WeakPolarHBondContact O-CD1 3.34Å; K17-I21 VanDerWaalsContact O-CG1 3.26Å; K17-I21 WeakPolarHBondContact O-CG1 3.31Å; K17-I21 PolarHBondContact O-N 2.84Å; T18-I21 PolarHBondContact O-N 2.8Å; Y19-I21 VanDerWaalsContact C-N 3.3Å; Y19-I21 PolarHBondContact O-N 3.33Å; I21-L24 WeakPolarHBondContact O-CB 3.4Å; I21-R25 WeakPolarHBondContact O-CG 3.37Å; I21-R25 PolarHBondContact O-N 3.33Å; I21-L54 HydrophobicContact CD1-CD2 4.48Å; I21-L54 HydrophobicContact CG1-CD2 4.04Å
22	T	77.4	Confident	77.9	Confident	59 Å²	59	66.5 Å²	66.5	36%	0.362	33%	0.333	S	S	.	.	H	α-helix	trans	-69.1	-47.1	174.5	-61.4	0	0	0	0	111.6	T18 Y19 V20 L24 R25 D26	T18-T22 PolarHBondContact O-N 3.4Å; T18-T22 PolarHBondContact O-OG1 2.89Å; Y19-T22 PolarHBondContact O-N 2.84Å; Y19-T22 VanDerWaalsContact O-N 3.11Å; V20-T22 PolarHBondContact O-N 2.8Å; T22-L24 PolarHBondContact O-N 2.89Å; T22-R25 WeakPolarHBondContact O-CA 3.43Å; T22-R25 WeakPolarHBondContact O-CB 3.25Å; T22-R25 PolarHBondContact O-N 3.39Å; T22-D26 WeakPolarHBondContact CG2-OD2 3.24Å; T22-D26 PolarHBondContact O-N 2.71Å
23	V	76.3	Confident	77.6	Confident	25 Å²	25	66.2 Å²	66.2	15%	0.152	33%	0.333	C	S	.	.	H	α-helix	trans	-55.8	-41	173.9	175	0	0	0	0	110.9	Y19 V20 R25 D26 D29	Y19-V23 HydrophobicContact CD1-CG2 4.33Å; Y19-V23 HydrophobicContact CD2-CG2 4.39Å; Y19-V23 HydrophobicContact CE1-CG2 3.85Å; Y19-V23 HydrophobicContact CE2-CG2 3.92Å; Y19-V23 WeakPolarHBondContact O-CG2 3.42Å; Y19-V23 PolarHBondContact O-N 2.91Å; V20-V23 PolarHBondContact O-N 3.44Å; V23-R25 VanDerWaalsContact C-N 3.27Å; V23-R25 PolarHBondContact O-N 3.25Å; V23-D26 PolarHBondContact O-N 3.28Å; V23-D29 WeakPolarHBondContact CG1-O 3.29Å
24	L	75.3	Confident	77.4	Confident	16 Å²	16	61.1 Å²	61.1	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-24.5	173.7	-86.9	167.4	0	0	0	115	V20 I21 T22 L54 V58 F62 K65	V20-L24 HydrophobicContact CG1-CD1 4.13Å; V20-L24 WeakPolarHBondContact O-CB 3.47Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 2.87Å; I21-L24 WeakPolarHBondContact O-CB 3.4Å; T22-L24 PolarHBondContact O-N 2.89Å; L24-L54 HydrophobicContact CD1-CD1 4.07Å; L24-V58 HydrophobicContact CD1-CG1 4.23Å; L24-F62 HydrophobicContact CD1-CB 4.19Å; L24-F62 HydrophobicContact CD1-CD2 4.27Å; L24-F62 HydrophobicContact CD2-CB 3.96Å; L24-F62 HydrophobicContact CD2-CD2 3.82Å; L24-F62 HydrophobicContact CD2-CG 4.36Å; L24-F62 HydrophobicContact CG-CD2 4.09Å; L24-K65 HydrophobicContact CD2-CD 3.69Å; L24-K65 PolarHBondContact O-NZ 2.89Å
25	R	71.5	Confident	77.2	Confident	173 Å²	173	57.2 Å²	57.2	65%	0.653	30%	0.302	S	S	*	.	H	α-helix	trans	-86.4	-42.8	177.7	-75.1	171.3	176.1	-171.9	-2.3	112.2	I21 T22 V23 R27	I21-R25 WeakPolarHBondContact O-CG 3.37Å; I21-R25 PolarHBondContact O-N 3.33Å; T22-R25 WeakPolarHBondContact O-CA 3.43Å; T22-R25 WeakPolarHBondContact O-CB 3.25Å; T22-R25 PolarHBondContact O-N 3.39Å; V23-R25 VanDerWaalsContact C-N 3.27Å; V23-R25 PolarHBondContact O-N 3.25Å; R25-R27 VanDerWaalsContact C-N 3.26Å; R25-R27 WeakPolarHBondContact O-CG 3.44Å; R25-R27 PolarHBondContact O-N 2.64Å
26	D	62.9	Low	76.9	Confident	112 Å²	112	56.2 Å²	56.2	60%	0.599	30%	0.296	S	S	*	.	H	α-helix	trans	-74.8	-13.9	-168.7	-66.8	-21.7	0	0	0	113.9	T22 V23 V28	T22-D26 WeakPolarHBondContact CG2-OD2 3.24Å; T22-D26 PolarHBondContact O-N 2.71Å; V23-D26 PolarHBondContact O-N 3.28Å; D26-V28 PolarHBondContact O-N 3.31Å
27	R	56.9	Low	76.2	Confident	90 Å²	90	67 Å²	67	34%	0.34	34%	0.338	S	S	.	.			trans	64.8	-19.5	171	-41.5	-171.3	178	-171.9	-5	117.3	R25 D29 R69 P373 E375	R25-R27 VanDerWaalsContact C-N 3.26Å; R25-R27 WeakPolarHBondContact O-CG 3.44Å; R25-R27 PolarHBondContact O-N 2.64Å; R27-D29 VanDerWaalsContact C-N 3.3Å; R27-D29 PolarHBondContact O-N 3.43Å; R27-R69 PolarHBondContact O-NH2 3.24Å; R27-P373 PolarHBondContact NH1-O 2.96Å; R27-E375 IonicContact CZ-OE2 3.94Å; R27-E375 VanDerWaalsContact NH2-CB 3.29Å; R27-E375 IonicContact NH2-OE2 3.33Å; R27-E375 PolarHBondContact NH2-OE2 3.02Å
28	V	57.4	Low	75.4	Confident	113 Å²	113	69 Å²	69	69%	0.685	36%	0.358	S	S	*	.	S	Bend	trans	-58.6	-43.7	-176.8	-178.3	0	0	0	0	110.6	D26 R69	D26-V28 PolarHBondContact O-N 3.31Å; V28-R69 VanDerWaalsContact C-NH2 3.33Å; V28-R69 PolarHBondContact O-NH1 2.78Å; V28-R69 PolarHBondContact O-NH2 2.83Å
29	D	62.7	Low	75.2	Confident	86 Å²	86	66.6 Å²	66.6	46%	0.46	34%	0.343	S	S	.	.			trans	-138.8	143.6	173.3	-77.5	-58.4	0	0	0	113.6	V23 R27 R69	V23-D29 WeakPolarHBondContact CG1-O 3.29Å; R27-D29 VanDerWaalsContact C-N 3.3Å; R27-D29 PolarHBondContact O-N 3.43Å; D29-R69 IonicContact OD1-CZ 3.92Å; D29-R69 IonicContact OD1-NH1 2.71Å; D29-R69 PolarHBondContact OD1-NH1 3.21Å
30	V	68.1	Low	74.8	Confident	12 Å²	12	69.5 Å²	69.5	7%	0.073	37%	0.374	C	S	.	.			trans	-100.6	-13.5	173.3	-179.4	0	0	0	0	111.1	C32 F62 K65 K66 R69	V30-C32 PolarHBondContact O-N 3.38Å; V30-C32 VanDerWaalsContact O-N 3.09Å; V30-F62 HydrophobicContact CG1-CD2 4.22Å; V30-F62 HydrophobicContact CG1-CE2 3.76Å; V30-F62 HydrophobicContact CG1-CZ 4.17Å; V30-F62 WeakPolarHBondContact O-CE2 3.33Å; V30-K65 HydrophobicContact CG2-CB 4.45Å; V30-K66 HydrophobicContact CG1-CB 3.88Å; V30-R69 HydrophobicContact CG2-CG 3.88Å
31	N	74.1	Confident	74.6	Confident	91 Å²	91	76.1 Å²	76.1	49%	0.487	41%	0.405	S	S	.	.	S	Bend	trans	-76.2	97.4	173.6	-64.7	2.1	0	0	0	108.7	A33	N31-A33 PolarHBondContact O-N 3.48Å
32	C	79.9	Confident	74.4	Confident	2 Å²	2	78.7 Å²	78.7	1%	0.014	43%	0.427	C	S	.	.			trans	-67	100	176.3	-64.2	0	0	0	0	110.3	Y19 V20 V30 Q44 L45 I50	Y19-C32 HydrophobicContact CE1-CB 4.22Å; V20-C32 HydrophobicContact CG2-CB 4.49Å; V30-C32 PolarHBondContact O-N 3.38Å; V30-C32 VanDerWaalsContact O-N 3.09Å; C32-Q44 WeakPolarHBondContact O-CA 3.49Å; C32-L45 HydrophobicContact CB-CB 4.05Å; C32-L45 HydrophobicContact CB-CD1 4.45Å; C32-L45 HydrophobicContact CB-CD2 4.11Å; C32-L45 HydrophobicContact CB-CG 4.43Å; C32-L45 PolarHBondContact O-N 2.81Å; C32-I50 HydrophobicContact CB-CD1 4.15Å
33	A	85.1	Confident	74.4	Confident	43 Å²	43	76.2 Å²	76.2	36%	0.355	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-69.8	166.2	172.2	0	0	0	0	0	111.7	Y19 N31 P35	Y19-A33 VanDerWaalsContact CE1-O 3.23Å; Y19-A33 WeakPolarHBondContact CE1-O 3.28Å; Y19-A33 PolarHBondContact OH-O 3.44Å; Y19-A33 VanDerWaalsContact OH-O 3.08Å; N31-A33 PolarHBondContact O-N 3.48Å; A33-P35 WeakPolarHBondContact O-CD 3.47Å
34	C	86.8	Confident	74.8	Confident	15 Å²	15	80 Å²	80	10%	0.101	43%	0.429	C	S	.	.			trans	-60.5	129.1	171.9	-179	0	0	0	0	110.8	L4 C7 C9 S36 C39 G43	L4-C34 HydrophobicContact CD1-CB 4.03Å; C7-C34 VanDerWaalsContact SG-SG 3.66Å; C9-C34 VanDerWaalsContact SG-SG 3.69Å; C34-S36 PolarHBondContact O-N 3.12Å; C34-S36 VanDerWaalsContact O-N 3.16Å; C34-S36 PolarHBondContact SG-N 2.94Å; C34-C39 HydrophobicContact CB-CB 4.03Å; C34-C39 VanDerWaalsContact SG-SG 3.65Å; C34-G43 VanDerWaalsContact CB-O 3.3Å; C34-G43 WeakPolarHBondContact CB-O 3.48Å; C34-G43 PolarHBondContact N-O 3.47Å
35	P	84.7	Confident	75.3	Confident	46 Å²	46	79.8 Å²	79.8	30%	0.299	43%	0.428	S	S	.	.	S	Bend	trans	-67.2	-9.1	176.7	-22	32.6	0	0	0	115.5	F11 L16 Y19 A33	F11-P35 HydrophobicContact CE1-CB 3.87Å; F11-P35 HydrophobicContact CE1-CG 4.28Å; F11-P35 HydrophobicContact CE2-CG 4.37Å; F11-P35 HydrophobicContact CZ-CB 3.97Å; F11-P35 HydrophobicContact CZ-CG 4.13Å; L16-P35 HydrophobicContact CD1-CG 3.69Å; Y19-P35 HydrophobicContact CD1-CG 3.7Å; Y19-P35 HydrophobicContact CD2-CB 4.23Å; Y19-P35 HydrophobicContact CD2-CG 4.03Å; Y19-P35 HydrophobicContact CE1-CG 3.92Å; Y19-P35 HydrophobicContact CE2-CB 4.39Å; Y19-P35 HydrophobicContact CE2-CG 4.24Å; Y19-P35 HydrophobicContact CG-CB 4.41Å; Y19-P35 HydrophobicContact CG-CG 3.76Å; A33-P35 WeakPolarHBondContact O-CD 3.47Å
36	S	81.3	Confident	76.1	Confident	48 Å²	48	73.7 Å²	73.7	34%	0.336	41%	0.41	S	S	.	.	S	Bend	trans	-79.9	123.1	178.8	-173.1	0	0	0	0	110.7	C34 P38 C39	C34-S36 PolarHBondContact O-N 3.12Å; C34-S36 VanDerWaalsContact O-N 3.16Å; C34-S36 PolarHBondContact SG-N 2.94Å; S36-P38 CarbonylContact C-O 3.55Å; S36-P38 CarbonylContact O-C 3.2Å; S36-P38 PolarHBondContact OG-O 3.35Å; S36-C39 VanDerWaalsContact O-CB 3.31Å; S36-C39 WeakPolarHBondContact O-CB 3.43Å; S36-C39 PolarHBondContact O-N 3.03Å
37	Y	73.7	Confident	77.2	Confident	227 Å²	227	71 Å²	71	89%	0.89	40%	0.396	S	S	*	.	S	Bend	trans	-114.1	117.3	168.6	-179	-91.9	0	0	0	110.3
38	P	72	Confident	78.7	Confident	105 Å²	105	70.7 Å²	70.7	68%	0.682	41%	0.407	S	S	*	.	S	Bend	cis	-71.7	163.8	-10.4	32.5	-36.2	0	0	0	112.6	S36	S36-P38 CarbonylContact C-O 3.55Å; S36-P38 CarbonylContact O-C 3.2Å; S36-P38 PolarHBondContact OG-O 3.35Å
39	C	80.8	Confident	80.2	Confident	19 Å²	19	66.5 Å²	66.5	13%	0.128	38%	0.38	C	S	.	.			trans	-123.6	119.8	167.3	175.4	0	0	0	0	108.2	C7 C9 C34 S36 Q41 S42	C7-C39 WeakPolarHBondContact CB-SG 3.17Å; C7-C39 VanDerWaalsContact SG-SG 3.63Å; C9-C39 VanDerWaalsContact SG-SG 3.69Å; C34-C39 HydrophobicContact CB-CB 4.03Å; C34-C39 VanDerWaalsContact SG-SG 3.65Å; S36-C39 VanDerWaalsContact O-CB 3.31Å; S36-C39 WeakPolarHBondContact O-CB 3.43Å; S36-C39 PolarHBondContact O-N 3.03Å; C39-Q41 PolarHBondContact O-N 3.19Å; C39-S42 PolarHBondContact O-N 3.3Å; C39-S42 VanDerWaalsContact O-N 3.08Å
40	S	79.1	Confident	81.4	Confident	130 Å²	130	62.6 Å²	62.6	91%	0.909	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.4	-168.9	-43.9	0	0	0	0	115.4
41	Q	78.4	Confident	82.4	Confident	139 Å²	139	68.8 Å²	68.8	65%	0.65	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	4.4	-179.5	-64.8	-179	-9.8	0	0	112.7	A6 C7 C39 G43	A6-Q41 PolarHBondContact O-OE1 3.03Å; C7-Q41 HydrophobicContact CB-CB 4.08Å; C39-Q41 PolarHBondContact O-N 3.19Å; Q41-G43 PolarHBondContact O-N 3.19Å
42	S	78	Confident	83.1	Confident	102 Å²	102	69.5 Å²	69.5	71%	0.713	38%	0.382	S	S	*	.			trans	48.4	32.6	-176	-61.2	0	0	0	0	114.2	C39	C39-S42 PolarHBondContact O-N 3.3Å; C39-S42 VanDerWaalsContact O-N 3.08Å
43	G	77.5	Confident	83.5	Confident	7 Å²	7	70 Å²	70	7%	0.072	38%	0.384	C	S	.	.			trans	-60.2	149.8	-169	0	0	0	0	0	113.3	C34 Q41	C34-G43 VanDerWaalsContact CB-O 3.3Å; C34-G43 WeakPolarHBondContact CB-O 3.48Å; C34-G43 PolarHBondContact N-O 3.47Å; Q41-G43 PolarHBondContact O-N 3.19Å
44	Q	83.7	Confident	83.5	Confident	103 Å²	103	68.4 Å²	68.4	48%	0.481	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-107.1	148.2	172.9	-64.3	180	8.9	0	0	109.6	A6 C32 T46	A6-Q44 WeakPolarHBondContact CB-O 3.29Å; C32-Q44 WeakPolarHBondContact O-CA 3.49Å; Q44-T46 PolarHBondContact O-N 3.29Å
45	L	87.4	Confident	83.5	Confident	13 Å²	13	70.2 Å²	70.2	7%	0.068	38%	0.381	C	S	.	.			trans	-65.9	130.2	171	-82.6	63.8	0	0	0	109.2	L4 L16 V20 C32 I50 L53	L4-L45 HydrophobicContact CD1-CD1 3.71Å; L4-L45 HydrophobicContact CD2-CD1 3.75Å; L4-L45 HydrophobicContact CD2-CG 3.68Å; L4-L45 HydrophobicContact CG-CD1 4.41Å; L16-L45 HydrophobicContact CD1-CD1 4.44Å; L16-L45 HydrophobicContact CD1-CD2 4.05Å; L16-L45 HydrophobicContact CG-CD2 4.2Å; V20-L45 HydrophobicContact CG2-CD2 3.53Å; C32-L45 HydrophobicContact CB-CB 4.05Å; C32-L45 HydrophobicContact CB-CD1 4.45Å; C32-L45 HydrophobicContact CB-CD2 4.11Å; C32-L45 HydrophobicContact CB-CG 4.43Å; C32-L45 PolarHBondContact O-N 2.81Å; L45-I50 HydrophobicContact CB-CD1 3.89Å; L45-I50 HydrophobicContact CB-CG1 3.85Å; L45-I50 HydrophobicContact CD2-CG1 4.11Å; L45-L53 HydrophobicContact CD2-CD1 4.09Å
46	T	88	Confident	83.5	Confident	44 Å²	44	72.7 Å²	72.7	27%	0.27	40%	0.4	S	S	.	.			trans	-71.3	155	174	63.4	0	0	0	0	111.3	S5 Q44 S48 E49 I50	S5-T46 WeakPolarHBondContact OG-CG2 3.47Å; Q44-T46 PolarHBondContact O-N 3.29Å; T46-S48 WeakPolarHBondContact CB-OG 3.08Å; T46-S48 PolarHBondContact O-N 3.39Å; T46-S48 PolarHBondContact OG1-OG 2.93Å; T46-E49 WeakPolarHBondContact CB-OE2 3.47Å; T46-E49 PolarHBondContact N-OE2 2.89Å; T46-E49 PolarHBondContact O-N 2.84Å; T46-E49 VanDerWaalsContact O-N 3.12Å; T46-E49 VanDerWaalsContact OG1-CG 3.23Å; T46-E49 WeakPolarHBondContact OG1-CG 3.22Å; T46-E49 PolarHBondContact OG1-N 3.31Å; T46-E49 PolarHBondContact OG1-OE2 3.49Å; T46-I50 WeakPolarHBondContact O-CG1 3.34Å; T46-I50 PolarHBondContact O-N 3.42Å
47	D	86.7	Confident	83.4	Confident	56 Å²	56	73.8 Å²	73.8	30%	0.299	40%	0.402	S	S	.	.	H	α-helix	trans	-55.9	-36.4	176.1	-138.9	61.9	0	0	0	111.6	I50 R51 Y59 K66	D47-I50 PolarHBondContact O-N 2.83Å; D47-R51 WeakPolarHBondContact O-CB 3.39Å; D47-R51 PolarHBondContact O-N 2.82Å; D47-Y59 PolarHBondContact OD2-OH 3.48Å; D47-K66 IonicContact OD1-NZ 2.92Å; D47-K66 PolarHBondContact OD1-NZ 3.29Å
48	S	87	Confident	83.8	Confident	83 Å²	83	64.5 Å²	64.5	58%	0.58	37%	0.369	S	S	*	.	H	α-helix	trans	-63.4	-47	173.9	29.5	0	0	0	0	113.8	T46 I50 R51 E52	T46-S48 WeakPolarHBondContact CB-OG 3.08Å; T46-S48 PolarHBondContact O-N 3.39Å; T46-S48 PolarHBondContact OG1-OG 2.93Å; S48-I50 VanDerWaalsContact C-N 3.31Å; S48-I50 PolarHBondContact O-N 2.91Å; S48-R51 PolarHBondContact O-N 3.29Å; S48-E52 PolarHBondContact O-N 3.46Å
49	E	89.9	Confident	84.5	Confident	26 Å²	26	59.9 Å²	59.9	12%	0.121	34%	0.338	C	S	.	.	H	α-helix	trans	-65.5	-38.1	177.1	-71.6	153.4	161.6	0	0	110.8	S5 T46 E52 L53	S5-E49 VanDerWaalsContact CB-OE1 3.29Å; S5-E49 WeakPolarHBondContact CB-OE1 3.22Å; S5-E49 PolarHBondContact N-OE1 2.93Å; S5-E49 PolarHBondContact OG-OE1 3.39Å; T46-E49 WeakPolarHBondContact CB-OE2 3.47Å; T46-E49 PolarHBondContact N-OE2 2.89Å; T46-E49 PolarHBondContact O-N 2.84Å; T46-E49 VanDerWaalsContact O-N 3.12Å; T46-E49 VanDerWaalsContact OG1-CG 3.23Å; T46-E49 WeakPolarHBondContact OG1-CG 3.22Å; T46-E49 PolarHBondContact OG1-N 3.31Å; T46-E49 PolarHBondContact OG1-OE2 3.49Å; E49-E52 PolarHBondContact O-N 2.79Å; E49-L53 WeakPolarHBondContact O-CB 3.35Å; E49-L53 WeakPolarHBondContact O-CD1 3.1Å; E49-L53 VanDerWaalsContact O-CG 3.22Å; E49-L53 WeakPolarHBondContact O-CG 3.41Å; E49-L53 PolarHBondContact O-N 3.46Å
50	I	88.4	Confident	84.5	Confident	3 Å²	3	64 Å²	64	2%	0.015	36%	0.355	C	S	.	.	H	α-helix	trans	-66.5	-38.8	176.1	-65	172.7	0	0	0	110.9	V20 C32 L45 T46 D47 S48 E52 L53 L54 Y59 F62	V20-I50 HydrophobicContact CG1-CG2 4.22Å; C32-I50 HydrophobicContact CB-CD1 4.15Å; L45-I50 HydrophobicContact CB-CD1 3.89Å; L45-I50 HydrophobicContact CB-CG1 3.85Å; L45-I50 HydrophobicContact CD2-CG1 4.11Å; T46-I50 WeakPolarHBondContact O-CG1 3.34Å; T46-I50 PolarHBondContact O-N 3.42Å; D47-I50 PolarHBondContact O-N 2.83Å; S48-I50 VanDerWaalsContact C-N 3.31Å; S48-I50 PolarHBondContact O-N 2.91Å; I50-E52 VanDerWaalsContact C-N 3.32Å; I50-E52 PolarHBondContact O-N 3.48Å; I50-L53 PolarHBondContact O-N 3.31Å; I50-L54 HydrophobicContact CG2-CD1 3.67Å; I50-L54 HydrophobicContact CG2-CG 4.25Å; I50-L54 WeakPolarHBondContact O-CB 3.24Å; I50-L54 WeakPolarHBondContact O-CG 3.27Å; I50-L54 PolarHBondContact O-N 3.29Å; I50-Y59 HydrophobicContact CG2-CD2 4.26Å; I50-Y59 HydrophobicContact CG2-CE2 4.43Å; I50-F62 HydrophobicContact CD1-CE1 4Å; I50-F62 HydrophobicContact CD1-CE2 3.85Å; I50-F62 HydrophobicContact CD1-CZ 3.42Å; I50-F62 VanDerWaalsContact CD1-CZ 3.42Å; I50-F62 HydrophobicContact CG2-CD1 3.85Å; I50-F62 HydrophobicContact CG2-CD2 4.15Å; I50-F62 HydrophobicContact CG2-CE1 3.94Å; I50-F62 HydrophobicContact CG2-CE2 4.25Å; I50-F62 HydrophobicContact CG2-CG 3.99Å; I50-F62 HydrophobicContact CG2-CZ 4.16Å
51	R	88.9	Confident	84.4	Confident	142 Å²	142	63.8 Å²	63.8	54%	0.536	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-33.5	172.5	-173.4	171.7	-92.8	176	-11.1	113.3	D47 S48 Y59	D47-R51 WeakPolarHBondContact O-CB 3.39Å; D47-R51 PolarHBondContact O-N 2.82Å; S48-R51 PolarHBondContact O-N 3.29Å; R51-Y59 HydrophobicContact CB-CD2 3.74Å; R51-Y59 HydrophobicContact CB-CE2 3.41Å; R51-Y59 VanDerWaalsContact CB-CE2 3.41Å; R51-Y59 HydrophobicContact CB-CG 4.46Å; R51-Y59 HydrophobicContact CG-CD2 4.17Å; R51-Y59 HydrophobicContact CG-CE1 4.48Å; R51-Y59 HydrophobicContact CG-CE2 4.03Å; R51-Y59 HydrophobicContact CG-CG 4.41Å; R51-Y59 VanDerWaalsContact NE-CE1 3.29Å; R51-Y59 VanDerWaalsContact NE-CZ 3.33Å; R51-Y59 PolarHBondContact NE-OH 2.87Å; R51-Y59 VanDerWaalsContact NH2-CE1 3.35Å
52	E	88.7	Confident	84.6	Confident	107 Å²	107	57.4 Å²	57.4	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-81.4	-19.7	178.1	-145.1	-149.4	140	0	0	113.6	R13 S48 E49 I50	R13-E52 IonicContact CZ-OE1 3.04Å; R13-E52 IonicContact NH1-OE1 2.71Å; R13-E52 PolarHBondContact NH1-OE1 3.08Å; R13-E52 IonicContact NH2-OE1 3.57Å; R13-E52 PolarHBondContact NH2-OE1 3.17Å; S48-E52 PolarHBondContact O-N 3.46Å; E49-E52 PolarHBondContact O-N 2.79Å; I50-E52 VanDerWaalsContact C-N 3.32Å; I50-E52 PolarHBondContact O-N 3.48Å
53	L	87.3	Confident	84.7	Confident	11 Å²	11	53.9 Å²	53.9	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-88.2	-34.7	178.9	-78.7	165.1	0	0	0	113.7	L2 L16 K17 V20 L45 E49 I50	L2-L53 HydrophobicContact CD1-CD2 3.59Å; L2-L53 HydrophobicContact CD1-CG 4.04Å; L16-L53 HydrophobicContact CB-CD1 4.32Å; L16-L53 HydrophobicContact CB-CD2 3.95Å; L16-L53 HydrophobicContact CD2-CD1 3.71Å; L16-L53 HydrophobicContact CD2-CD2 4.18Å; L16-L53 HydrophobicContact CG-CD1 3.66Å; L16-L53 HydrophobicContact CG-CD2 4.17Å; K17-L53 HydrophobicContact CB-CD2 4.41Å; K17-L53 WeakPolarHBondContact CD-O 3.39Å; V20-L53 HydrophobicContact CG2-CD1 4.36Å; L45-L53 HydrophobicContact CD2-CD1 4.09Å; E49-L53 WeakPolarHBondContact O-CB 3.35Å; E49-L53 WeakPolarHBondContact O-CD1 3.1Å; E49-L53 VanDerWaalsContact O-CG 3.22Å; E49-L53 WeakPolarHBondContact O-CG 3.41Å; E49-L53 PolarHBondContact O-N 3.46Å; I50-L53 PolarHBondContact O-N 3.31Å
54	L	86.3	Confident	84.8	Confident	10 Å²	10	56.3 Å²	56.3	5%	0.052	29%	0.293	C	S	.	.	S	Bend	trans	-102.1	136.2	-172	-65	-176.5	0	0	0	111.5	V20 I21 L24 I50 V58 F62	V20-L54 HydrophobicContact CG1-CD1 3.88Å; V20-L54 HydrophobicContact CG1-CD2 4.08Å; V20-L54 HydrophobicContact CG1-CG 4.2Å; I21-L54 HydrophobicContact CD1-CD2 4.48Å; I21-L54 HydrophobicContact CG1-CD2 4.04Å; L24-L54 HydrophobicContact CD1-CD1 4.07Å; I50-L54 HydrophobicContact CG2-CD1 3.67Å; I50-L54 HydrophobicContact CG2-CG 4.25Å; I50-L54 WeakPolarHBondContact O-CB 3.24Å; I50-L54 WeakPolarHBondContact O-CG 3.27Å; I50-L54 PolarHBondContact O-N 3.29Å; L54-V58 HydrophobicContact CB-CB 4.32Å; L54-V58 HydrophobicContact CD1-CG1 4.18Å; L54-V58 HydrophobicContact CD2-CB 4.47Å; L54-V58 HydrophobicContact CD2-CG1 4Å; L54-F62 HydrophobicContact CD1-CB 4.17Å
55	P	85.4	Confident	84.5	Confident	53 Å²	53	55.7 Å²	55.7	34%	0.344	29%	0.289	S	S	.	.			trans	-54.2	149.4	161	-24.9	36.6	0	0	0	111.3	D57 V58 Y59	P55-D57 VanDerWaalsContact C-N 3.28Å; P55-D57 VanDerWaalsContact CB-OD1 3.27Å; P55-D57 WeakPolarHBondContact CB-OD1 3.38Å; P55-D57 PolarHBondContact O-N 3.42Å; P55-V58 HydrophobicContact CB-CG2 4.37Å; P55-V58 HydrophobicContact CG-CG2 4.5Å; P55-V58 PolarHBondContact O-N 2.89Å; P55-Y59 PolarHBondContact O-N 3.41Å
56	S	84.3	Confident	84.3	Confident	98 Å²	98	57.9 Å²	57.9	69%	0.685	30%	0.298	S	S	*	.	H	α-helix	trans	-55.8	-38.1	-170.7	-51.1	0	0	0	0	113.8	V58 Y59 E60	S56-V58 PolarHBondContact O-N 3.28Å; S56-Y59 PolarHBondContact O-N 3.05Å; S56-E60 WeakPolarHBondContact O-CG 3.28Å; S56-E60 PolarHBondContact O-N 3.41Å
57	D	80.3	Confident	84	Confident	71 Å²	71	57.8 Å²	57.8	38%	0.38	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-38.3	176.7	68.2	-67.1	0	0	0	112.5	P55 R61	P55-D57 VanDerWaalsContact C-N 3.28Å; P55-D57 VanDerWaalsContact CB-OD1 3.27Å; P55-D57 WeakPolarHBondContact CB-OD1 3.38Å; P55-D57 PolarHBondContact O-N 3.42Å; D57-R61 VanDerWaalsContact O-CD 3.29Å; D57-R61 WeakPolarHBondContact O-CD 3.36Å; D57-R61 WeakPolarHBondContact O-CG 3.36Å; D57-R61 PolarHBondContact O-N 3.08Å; D57-R61 PolarHBondContact O-NE 2.87Å
58	V	82.2	Confident	83.5	Confident	32 Å²	32	56.5 Å²	56.5	19%	0.194	29%	0.288	C	S	.	.	H	α-helix	trans	-77.6	-34.9	177.6	-166.2	0	0	0	0	110.5	L24 L54 P55 S56 R61 F62	L24-V58 HydrophobicContact CD1-CG1 4.23Å; L54-V58 HydrophobicContact CB-CB 4.32Å; L54-V58 HydrophobicContact CD1-CG1 4.18Å; L54-V58 HydrophobicContact CD2-CB 4.47Å; L54-V58 HydrophobicContact CD2-CG1 4Å; P55-V58 HydrophobicContact CB-CG2 4.37Å; P55-V58 HydrophobicContact CG-CG2 4.5Å; P55-V58 PolarHBondContact O-N 2.89Å; S56-V58 PolarHBondContact O-N 3.28Å; V58-R61 PolarHBondContact O-N 2.83Å; V58-F62 PolarHBondContact O-N 3.2Å
59	Y	86.4	Confident	83	Confident	9 Å²	9	54.8 Å²	54.8	4%	0.035	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-46.9	175.1	179	-92.5	0	0	0	112.1	D47 I50 R51 P55 S56 R61 F62 S63	D47-Y59 PolarHBondContact OD2-OH 3.48Å; I50-Y59 HydrophobicContact CG2-CD2 4.26Å; I50-Y59 HydrophobicContact CG2-CE2 4.43Å; R51-Y59 HydrophobicContact CB-CD2 3.74Å; R51-Y59 HydrophobicContact CB-CE2 3.41Å; R51-Y59 VanDerWaalsContact CB-CE2 3.41Å; R51-Y59 HydrophobicContact CB-CG 4.46Å; R51-Y59 HydrophobicContact CG-CD2 4.17Å; R51-Y59 HydrophobicContact CG-CE1 4.48Å; R51-Y59 HydrophobicContact CG-CE2 4.03Å; R51-Y59 HydrophobicContact CG-CG 4.41Å; R51-Y59 VanDerWaalsContact NE-CE1 3.29Å; R51-Y59 VanDerWaalsContact NE-CZ 3.33Å; R51-Y59 PolarHBondContact NE-OH 2.87Å; R51-Y59 VanDerWaalsContact NH2-CE1 3.35Å; P55-Y59 PolarHBondContact O-N 3.41Å; S56-Y59 PolarHBondContact O-N 3.05Å; Y59-R61 VanDerWaalsContact C-N 3.27Å; Y59-R61 PolarHBondContact O-N 3.37Å; Y59-F62 CarbonylContact O-C 3.55Å; Y59-F62 WeakPolarHBondContact O-CA 3.46Å; Y59-F62 VanDerWaalsContact O-CB 3.29Å; Y59-F62 WeakPolarHBondContact O-CB 3.18Å; Y59-F62 PolarHBondContact O-N 3.23Å; Y59-S63 WeakPolarHBondContact CE1-OG 3.11Å; Y59-S63 PolarHBondContact O-N 3.27Å; Y59-S63 PolarHBondContact O-OG 2.89Å
60	E	81	Confident	82.5	Confident	106 Å²	106	57 Å²	57	50%	0.495	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-39.2	175.5	-72	-58.5	138.9	0	0	111.2	S56 F62 S63 V64	S56-E60 WeakPolarHBondContact O-CG 3.28Å; S56-E60 PolarHBondContact O-N 3.41Å; E60-F62 VanDerWaalsContact C-N 3.27Å; E60-F62 PolarHBondContact O-N 3.39Å; E60-S63 PolarHBondContact O-N 3.5Å; E60-V64 WeakPolarHBondContact O-CB 3.27Å; E60-V64 WeakPolarHBondContact O-CG2 3.34Å; E60-V64 PolarHBondContact O-N 3.5Å
61	R	77.2	Confident	82.2	Confident	125 Å²	125	57.5 Å²	57.5	47%	0.472	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-30.6	172	-66.7	165.6	-161.5	-168.2	4.6	112.6	D57 V58 Y59 K65 D344	D57-R61 VanDerWaalsContact O-CD 3.29Å; D57-R61 WeakPolarHBondContact O-CD 3.36Å; D57-R61 WeakPolarHBondContact O-CG 3.36Å; D57-R61 PolarHBondContact O-N 3.08Å; D57-R61 PolarHBondContact O-NE 2.87Å; V58-R61 PolarHBondContact O-N 2.83Å; Y59-R61 VanDerWaalsContact C-N 3.27Å; Y59-R61 PolarHBondContact O-N 3.37Å; R61-K65 WeakPolarHBondContact O-CB 3.47Å; R61-K65 WeakPolarHBondContact O-CD 3.38Å; R61-K65 VanDerWaalsContact O-CG 3.3Å; R61-K65 WeakPolarHBondContact O-CG 3.27Å; R61-K65 PolarHBondContact O-N 3.45Å; R61-D344 IonicContact NH2-OD1 3.73Å; R61-D344 PolarHBondContact NH2-OD1 3.03Å
62	F	81.2	Confident	81.5	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-72	-51.3	171.3	172.6	-87.5	0	0	0	111.5	L24 V30 I50 L54 V58 Y59 E60 V64 K65 K66	L24-F62 HydrophobicContact CD1-CB 4.19Å; L24-F62 HydrophobicContact CD1-CD2 4.27Å; L24-F62 HydrophobicContact CD2-CB 3.96Å; L24-F62 HydrophobicContact CD2-CD2 3.82Å; L24-F62 HydrophobicContact CD2-CG 4.36Å; L24-F62 HydrophobicContact CG-CD2 4.09Å; V30-F62 HydrophobicContact CG1-CD2 4.22Å; V30-F62 HydrophobicContact CG1-CE2 3.76Å; V30-F62 HydrophobicContact CG1-CZ 4.17Å; V30-F62 WeakPolarHBondContact O-CE2 3.33Å; I50-F62 HydrophobicContact CD1-CE1 4Å; I50-F62 HydrophobicContact CD1-CE2 3.85Å; I50-F62 HydrophobicContact CD1-CZ 3.42Å; I50-F62 VanDerWaalsContact CD1-CZ 3.42Å; I50-F62 HydrophobicContact CG2-CD1 3.85Å; I50-F62 HydrophobicContact CG2-CD2 4.15Å; I50-F62 HydrophobicContact CG2-CE1 3.94Å; I50-F62 HydrophobicContact CG2-CE2 4.25Å; I50-F62 HydrophobicContact CG2-CG 3.99Å; I50-F62 HydrophobicContact CG2-CZ 4.16Å; L54-F62 HydrophobicContact CD1-CB 4.17Å; V58-F62 PolarHBondContact O-N 3.2Å; Y59-F62 CarbonylContact O-C 3.55Å; Y59-F62 WeakPolarHBondContact O-CA 3.46Å; Y59-F62 VanDerWaalsContact O-CB 3.29Å; Y59-F62 WeakPolarHBondContact O-CB 3.18Å; Y59-F62 PolarHBondContact O-N 3.23Å; E60-F62 VanDerWaalsContact C-N 3.27Å; E60-F62 PolarHBondContact O-N 3.39Å; F62-V64 VanDerWaalsContact C-N 3.34Å; F62-V64 PolarHBondContact O-N 2.94Å; F62-K65 PolarHBondContact O-N 2.89Å; F62-K65 VanDerWaalsContact O-N 3.13Å; F62-K66 HydrophobicContact CE1-CD 3.85Å; F62-K66 HydrophobicContact CZ-CD 4.15Å; F62-K66 WeakPolarHBondContact O-CB 3.18Å; F62-K66 PolarHBondContact O-N 3.43Å
63	S	81	Confident	80.8	Confident	29 Å²	29	57.8 Å²	57.8	20%	0.203	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-41.1	-179.4	-62.5	0	0	0	0	112.5	Y59 E60 K66 L67	Y59-S63 WeakPolarHBondContact CE1-OG 3.11Å; Y59-S63 PolarHBondContact O-N 3.27Å; Y59-S63 PolarHBondContact O-OG 2.89Å; E60-S63 PolarHBondContact O-N 3.5Å; S63-K66 PolarHBondContact O-N 2.87Å; S63-L67 WeakPolarHBondContact O-CB 3.3Å; S63-L67 PolarHBondContact O-N 3.05Å
64	V	80	Confident	80.4	Confident	58 Å²	58	61.2 Å²	61.2	35%	0.352	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-42.6	174.5	171.7	0	0	0	0	111.8	E60 F62 K66 Q68 L351	E60-V64 WeakPolarHBondContact O-CB 3.27Å; E60-V64 WeakPolarHBondContact O-CG2 3.34Å; E60-V64 PolarHBondContact O-N 3.5Å; F62-V64 VanDerWaalsContact C-N 3.34Å; F62-V64 PolarHBondContact O-N 2.94Å; V64-K66 VanDerWaalsContact C-N 3.34Å; V64-K66 PolarHBondContact O-N 2.82Å; V64-Q68 VanDerWaalsContact O-CB 3.27Å; V64-Q68 WeakPolarHBondContact O-CB 3.42Å; V64-Q68 PolarHBondContact O-N 3.08Å; V64-L351 HydrophobicContact CG1-CD1 3.81Å
65	K	77.3	Confident	80	Confident	90 Å²	90	66.2 Å²	66.2	39%	0.391	34%	0.338	S	S	.	.	H	α-helix	trans	-63.7	-38.5	175.3	-81.6	174.7	174.8	176.9	0	112.4	L24 V30 R61 F62 R69	L24-K65 HydrophobicContact CD2-CD 3.69Å; L24-K65 PolarHBondContact O-NZ 2.89Å; V30-K65 HydrophobicContact CG2-CB 4.45Å; R61-K65 WeakPolarHBondContact O-CB 3.47Å; R61-K65 WeakPolarHBondContact O-CD 3.38Å; R61-K65 VanDerWaalsContact O-CG 3.3Å; R61-K65 WeakPolarHBondContact O-CG 3.27Å; R61-K65 PolarHBondContact O-N 3.45Å; F62-K65 PolarHBondContact O-N 2.89Å; F62-K65 VanDerWaalsContact O-N 3.13Å; K65-R69 WeakPolarHBondContact O-CG 3.38Å; K65-R69 PolarHBondContact O-N 3Å; K65-R69 VanDerWaalsContact O-N 3.13Å
66	K	83.3	Confident	79.9	Confident	58 Å²	58	67.6 Å²	67.6	25%	0.252	34%	0.342	S	S	.	.	H	α-helix	trans	-66.1	-50.8	177	180	172.2	169.7	178.7	0	111.3	V30 D47 F62 S63 V64 Q68 R69 E70	V30-K66 HydrophobicContact CG1-CB 3.88Å; D47-K66 IonicContact OD1-NZ 2.92Å; D47-K66 PolarHBondContact OD1-NZ 3.29Å; F62-K66 HydrophobicContact CE1-CD 3.85Å; F62-K66 HydrophobicContact CZ-CD 4.15Å; F62-K66 WeakPolarHBondContact O-CB 3.18Å; F62-K66 PolarHBondContact O-N 3.43Å; S63-K66 PolarHBondContact O-N 2.87Å; V64-K66 VanDerWaalsContact C-N 3.34Å; V64-K66 PolarHBondContact O-N 2.82Å; K66-Q68 VanDerWaalsContact C-N 3.34Å; K66-Q68 PolarHBondContact O-N 3.26Å; K66-R69 WeakPolarHBondContact O-CB 3.42Å; K66-R69 PolarHBondContact O-N 3.25Å; K66-R69 VanDerWaalsContact O-N 3.11Å; K66-E70 VanDerWaalsContact CE-OE1 3.29Å; K66-E70 WeakPolarHBondContact CE-OE1 3.19Å; K66-E70 WeakPolarHBondContact CG-OE1 3.43Å; K66-E70 WeakPolarHBondContact O-CG 3.42Å; K66-E70 PolarHBondContact O-N 3.12Å
67	L	81.5	Confident	80	Confident	43 Å²	43	65.5 Å²	65.5	23%	0.225	32%	0.323	C	S	.	.	H	α-helix	trans	-60.2	-41	175.9	-177.1	62.9	0	0	0	112.5	S63 R69 E70 I71 F79 V88	S63-L67 WeakPolarHBondContact O-CB 3.3Å; S63-L67 PolarHBondContact O-N 3.05Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 2.86Å; L67-E70 PolarHBondContact O-N 3.41Å; L67-I71 HydrophobicContact CD1-CD1 3.92Å; L67-I71 HydrophobicContact CD1-CG1 4.49Å; L67-I71 HydrophobicContact CG-CD1 3.86Å; L67-I71 WeakPolarHBondContact O-CD1 3.41Å; L67-I71 WeakPolarHBondContact O-CG1 3.31Å; L67-I71 PolarHBondContact O-N 3.1Å; L67-F79 HydrophobicContact CD2-CE1 4.46Å; L67-F79 HydrophobicContact CG-CZ 4.44Å; L67-V88 HydrophobicContact CD1-CG2 4.31Å; L67-V88 HydrophobicContact CD2-CG2 4.36Å
68	Q	75.4	Confident	80.2	Confident	29 Å²	29	62.4 Å²	62.4	14%	0.136	31%	0.307	C	S	.	.	H	α-helix	trans	-56.5	-46	173.7	179.9	75.7	31.5	0	0	111.2	V64 K66 I71 E72 F79	V64-Q68 VanDerWaalsContact O-CB 3.27Å; V64-Q68 WeakPolarHBondContact O-CB 3.42Å; V64-Q68 PolarHBondContact O-N 3.08Å; K66-Q68 VanDerWaalsContact C-N 3.34Å; K66-Q68 PolarHBondContact O-N 3.26Å; Q68-I71 PolarHBondContact O-N 3.11Å; Q68-E72 WeakPolarHBondContact CG-OE1 3.36Å; Q68-E72 PolarHBondContact NE2-OE1 3.35Å; Q68-E72 WeakPolarHBondContact O-CB 3.22Å; Q68-E72 VanDerWaalsContact O-CG 3.31Å; Q68-E72 WeakPolarHBondContact O-CG 3.39Å; Q68-E72 PolarHBondContact O-N 3.21Å; Q68-F79 VanDerWaalsContact OE1-CE2 3.23Å
69	R	77	Confident	80.4	Confident	47 Å²	47	61.9 Å²	61.9	18%	0.177	30%	0.302	C	S	.	.	H	α-helix	trans	-66.1	-43.2	178.3	-70.5	-95.2	-62.6	-135.4	-171.1	112.4	R27 V28 D29 V30 K65 K66 L67 I71 E72 Q73	R27-R69 PolarHBondContact O-NH2 3.24Å; V28-R69 VanDerWaalsContact C-NH2 3.33Å; V28-R69 PolarHBondContact O-NH1 2.78Å; V28-R69 PolarHBondContact O-NH2 2.83Å; D29-R69 IonicContact OD1-CZ 3.92Å; D29-R69 IonicContact OD1-NH1 2.71Å; D29-R69 PolarHBondContact OD1-NH1 3.21Å; V30-R69 HydrophobicContact CG2-CG 3.88Å; K65-R69 WeakPolarHBondContact O-CG 3.38Å; K65-R69 PolarHBondContact O-N 3Å; K65-R69 VanDerWaalsContact O-N 3.13Å; K66-R69 WeakPolarHBondContact O-CB 3.42Å; K66-R69 PolarHBondContact O-N 3.25Å; K66-R69 VanDerWaalsContact O-N 3.11Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 2.86Å; R69-I71 PolarHBondContact O-N 3.03Å; R69-E72 PolarHBondContact O-N 2.92Å; R69-Q73 WeakPolarHBondContact O-CB 3.18Å; R69-Q73 VanDerWaalsContact O-CG 3.29Å; R69-Q73 WeakPolarHBondContact O-CG 3.3Å; R69-Q73 PolarHBondContact O-N 3Å
70	E	80.5	Confident	80.4	Confident	72 Å²	72	61.6 Å²	61.6	34%	0.336	30%	0.302	S	S	.	.	H	α-helix	trans	-58.7	-37.3	175.9	-72	169.9	-167.8	0	0	111.2	K66 L67 N74	K66-E70 VanDerWaalsContact CE-OE1 3.29Å; K66-E70 WeakPolarHBondContact CE-OE1 3.19Å; K66-E70 WeakPolarHBondContact CG-OE1 3.43Å; K66-E70 WeakPolarHBondContact O-CG 3.42Å; K66-E70 PolarHBondContact O-N 3.12Å; L67-E70 PolarHBondContact O-N 3.41Å; E70-N74 WeakPolarHBondContact O-CB 3.31Å; E70-N74 PolarHBondContact O-N 2.89Å; E70-N74 VanDerWaalsContact O-N 3.14Å; E70-N74 PolarHBondContact O-ND2 3.29Å
71	I	81.2	Confident	80.6	Confident	14 Å²	14	57.5 Å²	57.5	7%	0.072	28%	0.284	C	S	.	.	H	α-helix	trans	-78.9	-38.4	177.6	-67.7	160.8	0	0	0	112	L67 Q68 R69 Q73 N74 L77 F79 V88	L67-I71 HydrophobicContact CD1-CD1 3.92Å; L67-I71 HydrophobicContact CD1-CG1 4.49Å; L67-I71 HydrophobicContact CG-CD1 3.86Å; L67-I71 WeakPolarHBondContact O-CD1 3.41Å; L67-I71 WeakPolarHBondContact O-CG1 3.31Å; L67-I71 PolarHBondContact O-N 3.1Å; Q68-I71 PolarHBondContact O-N 3.11Å; R69-I71 PolarHBondContact O-N 3.03Å; I71-Q73 PolarHBondContact O-N 3.47Å; I71-N74 PolarHBondContact O-N 2.83Å; I71-L77 HydrophobicContact CB-CB 4.47Å; I71-L77 HydrophobicContact CG1-CB 4.17Å; I71-L77 HydrophobicContact CG1-CD1 4.17Å; I71-L77 HydrophobicContact CG2-CB 4.14Å; I71-F79 HydrophobicContact CB-CE2 4.19Å; I71-F79 HydrophobicContact CD1-CD1 4.27Å; I71-F79 HydrophobicContact CD1-CD2 4.15Å; I71-F79 HydrophobicContact CD1-CE1 3.71Å; I71-F79 HydrophobicContact CD1-CE2 3.56Å; I71-F79 HydrophobicContact CD1-CG 4.49Å; I71-F79 HydrophobicContact CD1-CZ 3.33Å; I71-F79 HydrophobicContact CG1-CE2 4.49Å; I71-F79 HydrophobicContact CG2-CD2 4.11Å; I71-F79 HydrophobicContact CG2-CE2 4.09Å; I71-V88 HydrophobicContact CD1-CB 4.29Å; I71-V88 HydrophobicContact CD1-CG1 3.73Å; I71-V88 HydrophobicContact CD1-CG2 3.6Å; I71-V88 HydrophobicContact CG1-CG1 3.98Å
72	E	73.4	Confident	80.7	Confident	121 Å²	121	52.4 Å²	52.4	57%	0.565	27%	0.269	S	S	*	.	H	α-helix	trans	-63.4	-29.5	174.3	-76.8	172.2	-179.7	0	0	112.7	Q68 R69	Q68-E72 WeakPolarHBondContact CG-OE1 3.36Å; Q68-E72 PolarHBondContact NE2-OE1 3.35Å; Q68-E72 WeakPolarHBondContact O-CB 3.22Å; Q68-E72 VanDerWaalsContact O-CG 3.31Å; Q68-E72 WeakPolarHBondContact O-CG 3.39Å; Q68-E72 PolarHBondContact O-N 3.21Å; R69-E72 PolarHBondContact O-N 2.92Å
73	Q	75.4	Confident	80.6	Confident	134 Å²	134	58.3 Å²	58.3	63%	0.626	31%	0.305	S	S	*	.	H	α-helix	trans	-79.7	-36.2	173.6	-71.1	173.9	-7.6	0	0	112.8	R69 I71 V75	R69-Q73 WeakPolarHBondContact O-CB 3.18Å; R69-Q73 VanDerWaalsContact O-CG 3.29Å; R69-Q73 WeakPolarHBondContact O-CG 3.3Å; R69-Q73 PolarHBondContact O-N 3Å; I71-Q73 PolarHBondContact O-N 3.47Å; Q73-V75 PolarHBondContact O-N 3.35Å
74	N	77.5	Confident	80.3	Confident	82 Å²	82	63.8 Å²	63.8	44%	0.439	33%	0.332	S	S	.	.			trans	-91.6	98.1	-175.6	-78.9	-68.3	0	0	0	112.6	E70 I71 N76 L77	E70-N74 WeakPolarHBondContact O-CB 3.31Å; E70-N74 PolarHBondContact O-N 2.89Å; E70-N74 VanDerWaalsContact O-N 3.14Å; E70-N74 PolarHBondContact O-ND2 3.29Å; I71-N74 PolarHBondContact O-N 2.83Å; N74-N76 PolarHBondContact O-N 3.3Å; N74-L77 HydrophobicContact CB-CB 4.18Å; N74-L77 HydrophobicContact CB-CD1 3.78Å; N74-L77 HydrophobicContact CB-CG 3.88Å; N74-L77 PolarHBondContact O-N 3.16Å
75	V	78.1	Confident	80.4	Confident	115 Å²	115	61.4 Å²	61.4	70%	0.697	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-21.8	176.7	-175.3	0	0	0	0	113.9	Q73 L77	Q73-V75 PolarHBondContact O-N 3.35Å; V75-L77 VanDerWaalsContact C-N 3.34Å
76	N	83.9	Confident	80.4	Confident	82 Å²	82	59.6 Å²	59.6	44%	0.439	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	4.2	176.7	-63	-12.3	0	0	0	113.7	N74 Q90 V91 S93	N74-N76 PolarHBondContact O-N 3.3Å; N76-Q90 CarbonylContact O-C 3.51Å; N76-Q90 WeakPolarHBondContact O-CA 3.47Å; N76-V91 PolarHBondContact O-N 2.79Å; N76-S93 PolarHBondContact ND2-OG 2.89Å
77	L	85.5	Confident	80.5	Confident	54 Å²	54	57.6 Å²	57.6	28%	0.283	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	150.4	178.6	-60.5	-179.6	0	0	0	111.1	I71 N74 V75 V88 C89 Q90	I71-L77 HydrophobicContact CB-CB 4.47Å; I71-L77 HydrophobicContact CG1-CB 4.17Å; I71-L77 HydrophobicContact CG1-CD1 4.17Å; I71-L77 HydrophobicContact CG2-CB 4.14Å; N74-L77 HydrophobicContact CB-CB 4.18Å; N74-L77 HydrophobicContact CB-CD1 3.78Å; N74-L77 HydrophobicContact CB-CG 3.88Å; N74-L77 PolarHBondContact O-N 3.16Å; V75-L77 VanDerWaalsContact C-N 3.34Å; L77-V88 HydrophobicContact CB-CG1 4.18Å; L77-V88 HydrophobicContact CD1-CG1 4.37Å; L77-V88 HydrophobicContact CD2-CG1 4.1Å; L77-V88 HydrophobicContact CG-CG1 4.45Å; L77-C89 WeakPolarHBondContact CA-O 3.32Å; L77-Q90 HydrophobicContact CD2-CG 4.19Å
78	T	85.4	Confident	80.8	Confident	7 Å²	7	58 Å²	58	4%	0.043	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	149.5	173.1	177.5	0	0	0	0	110	C89 V91 V208 F217 A219 H222	T78-C89 HydrophobicContact CG2-CB 4.01Å; T78-C89 PolarHBondContact N-O 2.71Å; T78-C89 PolarHBondContact O-N 3.46Å; T78-V91 HydrophobicContact CG2-CG2 3.5Å; T78-V208 HydrophobicContact CG2-CG1 4.43Å; T78-F217 HydrophobicContact CG2-CE2 3.72Å; T78-F217 HydrophobicContact CG2-CZ 3.75Å; T78-A219 HydrophobicContact CG2-CB 4.01Å; T78-H222 PolarHBondContact OG1-CE1 2.8Å; T78-H222 PolarHBondContact OG1-ND1 3.25Å
79	F	87	Confident	81.4	Confident	21 Å²	21	57 Å²	57	9%	0.092	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	148.7	164.9	-71	-79.8	0	0	0	111.4	L67 Q68 I71 A352	L67-F79 HydrophobicContact CD2-CE1 4.46Å; L67-F79 HydrophobicContact CG-CZ 4.44Å; Q68-F79 VanDerWaalsContact OE1-CE2 3.23Å; I71-F79 HydrophobicContact CB-CE2 4.19Å; I71-F79 HydrophobicContact CD1-CD1 4.27Å; I71-F79 HydrophobicContact CD1-CD2 4.15Å; I71-F79 HydrophobicContact CD1-CE1 3.71Å; I71-F79 HydrophobicContact CD1-CE2 3.56Å; I71-F79 HydrophobicContact CD1-CG 4.49Å; I71-F79 HydrophobicContact CD1-CZ 3.33Å; I71-F79 HydrophobicContact CG1-CE2 4.49Å; I71-F79 HydrophobicContact CG2-CD2 4.11Å; I71-F79 HydrophobicContact CG2-CE2 4.09Å; F79-A352 HydrophobicContact CB-CB 3.67Å
80	C	86.4	Confident	81.9	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.02	34%	0.341	C	S	.	.			trans	-72.4	126.4	166.3	-173	0	0	0	0	110.4	A82 C85 A87 C210 C213 F217	C80-A82 PolarHBondContact O-N 2.77Å; C80-C85 HydrophobicContact CB-CB 4.35Å; C80-A87 HydrophobicContact CB-CB 4.46Å; C80-A87 WeakPolarHBondContact CB-O 3.35Å; C80-A87 PolarHBondContact N-O 3.36Å; C80-C210 HydrophobicContact CB-CB 4.11Å; C80-C210 WeakPolarHBondContact SG-CB 3.49Å; C80-C210 VanDerWaalsContact SG-SG 3.61Å; C80-C213 VanDerWaalsContact SG-SG 3.65Å; C80-F217 HydrophobicContact CB-CE1 4.39Å
81	P	85	Confident	82.1	Confident	20 Å²	20	58.6 Å²	58.6	13%	0.13	33%	0.329	C	S	.	.			trans	-81.9	8.4	-179.4	35.1	-37.2	0	0	0	114	F217 H222 A352	P81-F217 VanDerWaalsContact CD-CD2 3.49Å; P81-F217 VanDerWaalsContact CD-CG 3.42Å; P81-F217 HydrophobicContact CG-CB 3.64Å; P81-F217 HydrophobicContact CG-CD1 4.11Å; P81-F217 HydrophobicContact CG-CD2 3.76Å; P81-F217 HydrophobicContact CG-CE2 4.39Å; P81-F217 HydrophobicContact CG-CG 3.58Å; P81-H222 HydrophobicContact CB-CB 4.26Å; P81-H222 WeakPolarHBondContact CB-O 3.29Å; P81-H222 HydrophobicContact CG-CB 4.49Å; P81-H222 WeakPolarHBondContact CG-O 3.48Å; P81-A352 VanDerWaalsContact CA-O 3.24Å; P81-A352 WeakPolarHBondContact CA-O 3.45Å; P81-A352 VanDerWaalsContact CB-O 3.26Å; P81-A352 WeakPolarHBondContact CB-O 3.39Å
82	A	79.4	Confident	81.7	Confident	18 Å²	18	60.6 Å²	60.6	15%	0.149	34%	0.343	C	S	.	.	S	Bend	trans	-77.1	131.2	176.5	0	0	0	0	0	109.7	C80 N84 C85 H215	C80-A82 PolarHBondContact O-N 2.77Å; A82-N84 PolarHBondContact O-N 3Å; A82-C85 HydrophobicContact CB-CB 3.92Å; A82-C85 VanDerWaalsContact O-CB 3.26Å; A82-C85 WeakPolarHBondContact O-CB 3.39Å; A82-C85 PolarHBondContact O-N 3.44Å; A82-C85 VanDerWaalsContact O-N 3.13Å; A82-H215 HydrophobicContact CB-CB 3.86Å
83	V	78.5	Confident	81.3	Confident	128 Å²	128	58.5 Å²	58.5	78%	0.776	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	136.6	174.6	-65.9	0	0	0	0	111	C85	V83-C85 PolarHBondContact O-N 3.15Å
84	N	75.6	Confident	80.3	Confident	143 Å²	143	55 Å²	55	77%	0.765	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	11.1	179.2	-56.2	-4	0	0	0	116.2	A82	A82-N84 PolarHBondContact O-N 3Å
85	C	81.3	Confident	79.1	Confident	9 Å²	9	54 Å²	54	6%	0.061	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-50	179.3	-176.2	0	0	0	0	113.2	C80 A82 V83 A87 R212 C213	C80-C85 HydrophobicContact CB-CB 4.35Å; A82-C85 HydrophobicContact CB-CB 3.92Å; A82-C85 VanDerWaalsContact O-CB 3.26Å; A82-C85 WeakPolarHBondContact O-CB 3.39Å; A82-C85 PolarHBondContact O-N 3.44Å; A82-C85 VanDerWaalsContact O-N 3.13Å; V83-C85 PolarHBondContact O-N 3.15Å; C85-A87 PolarHBondContact O-N 3.2Å; C85-R212 PolarHBondContact O-NH1 3.47Å; C85-C213 HydrophobicContact CB-CB 4.5Å; C85-C213 PolarHBondContact SG-SG 3.39Å
86	G	77.3	Confident	77.8	Confident	51 Å²	51	58.2 Å²	58.2	53%	0.526	33%	0.33	S	S	.	.			trans	60	0.9	-179.6	0	0	0	0	0	116.6
87	A	84.4	Confident	76	Confident	16 Å²	16	55.9 Å²	55.9	13%	0.132	32%	0.319	C	S	.	.			trans	-74	136.9	-169	0	0	0	0	0	112.8	C80 C85 R212	C80-A87 HydrophobicContact CB-CB 4.46Å; C80-A87 WeakPolarHBondContact CB-O 3.35Å; C80-A87 PolarHBondContact N-O 3.36Å; C85-A87 PolarHBondContact O-N 3.2Å; A87-R212 HydrophobicContact CB-CB 3.75Å; A87-R212 HydrophobicContact CB-CG 4.44Å
88	V	88.2	Confident	74.1	Confident	51 Å²	51	58.4 Å²	58.4	31%	0.309	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126	168.8	-165.7	0	0	0	0	108.9	L67 I71 L77	L67-V88 HydrophobicContact CD1-CG2 4.31Å; L67-V88 HydrophobicContact CD2-CG2 4.36Å; I71-V88 HydrophobicContact CD1-CB 4.29Å; I71-V88 HydrophobicContact CD1-CG1 3.73Å; I71-V88 HydrophobicContact CD1-CG2 3.6Å; I71-V88 HydrophobicContact CG1-CG1 3.98Å; L77-V88 HydrophobicContact CB-CG1 4.18Å; L77-V88 HydrophobicContact CD1-CG1 4.37Å; L77-V88 HydrophobicContact CD2-CG1 4.1Å; L77-V88 HydrophobicContact CG-CG1 4.45Å
89	C	88.4	Confident	72.3	Confident	8 Å²	8	62.5 Å²	62.5	5%	0.054	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.3	179.2	-57.5	0	0	0	0	109.7	L77 T78 V208 F217	L77-C89 WeakPolarHBondContact CA-O 3.32Å; T78-C89 HydrophobicContact CG2-CB 4.01Å; T78-C89 PolarHBondContact N-O 2.71Å; T78-C89 PolarHBondContact O-N 3.46Å; C89-V208 HydrophobicContact CB-CG1 3.56Å; C89-F217 HydrophobicContact CB-CZ 4.08Å
90	Q	87.8	Confident	70.6	Confident	139 Å²	139	63.6 Å²	63.6	65%	0.65	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	130.5	172.4	-71.8	167.4	-34.8	0	0	109.8	N76 L77	N76-Q90 CarbonylContact O-C 3.51Å; N76-Q90 WeakPolarHBondContact O-CA 3.47Å; L77-Q90 HydrophobicContact CD2-CG 4.19Å
91	V	84	Confident	68.7	Low	14 Å²	14	71.6 Å²	71.6	9%	0.085	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-90.4	125.9	172.3	-172.6	0	0	0	0	107.8	N76 T78 S93 L95 V206 V208 A219	N76-V91 PolarHBondContact O-N 2.79Å; T78-V91 HydrophobicContact CG2-CG2 3.5Å; V91-S93 PolarHBondContact O-N 2.92Å; V91-L95 HydrophobicContact CG1-CD1 4.27Å; V91-V206 HydrophobicContact CG1-CG1 3.78Å; V91-V208 HydrophobicContact CG1-CG2 4.47Å; V91-V208 HydrophobicContact CG2-CG2 4.44Å; V91-A219 HydrophobicContact CG1-CB 3.95Å; V91-A219 HydrophobicContact CG2-CB 3.79Å
92	P	73.5	Confident	67.1	Low	57 Å²	57	74.5 Å²	74.5	37%	0.37	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-59.2	125	177.3	-25.1	34.1	0	0	0	111.8	I94	P92-I94 HydrophobicContact CB-CD1 3.92Å; P92-I94 HydrophobicContact CB-CG1 3.87Å; P92-I94 PolarHBondContact O-N 3.49Å
93	S	63.9	Low	65.9	Low	77 Å²	77	75.7 Å²	75.7	54%	0.538	45%	0.448	S	S	.	.	S	Bend	trans	-64.7	4.4	-174.9	-46.3	0	0	0	0	115.6	N76 V91 L95	N76-S93 PolarHBondContact ND2-OG 2.89Å; V91-S93 PolarHBondContact O-N 2.92Å; S93-L95 PolarHBondContact O-N 2.99Å
94	I	55	Low	64.4	Low	60 Å²	60	74.3 Å²	74.3	31%	0.308	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	27.9	-168.9	-35.5	176.5	0	0	0	112.4	P92 V97 Y124	P92-I94 HydrophobicContact CB-CD1 3.92Å; P92-I94 HydrophobicContact CB-CG1 3.87Å; P92-I94 PolarHBondContact O-N 3.49Å; I94-V97 WeakPolarHBondContact O-CG2 3.43Å; I94-Y124 HydrophobicContact CG2-CE1 3.81Å
95	L	52.6	Low	63.3	Low	60 Å²	60	71.3 Å²	71.3	31%	0.314	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-1.4	-167.3	-61.3	169.9	0	0	0	113.7	V91 S93 V97 P204 V206	V91-L95 HydrophobicContact CG1-CD1 4.27Å; S93-L95 PolarHBondContact O-N 2.99Å; L95-V97 PolarHBondContact O-N 2.95Å; L95-P204 HydrophobicContact CD2-CG 4.26Å; L95-V206 HydrophobicContact CD1-CB 4.3Å; L95-V206 HydrophobicContact CD1-CG1 3.85Å; L95-V206 HydrophobicContact CD1-CG2 3.48Å; L95-V206 VanDerWaalsContact CD1-CG2 3.48Å; L95-V206 HydrophobicContact CD2-CG2 3.89Å; L95-V206 HydrophobicContact CG-CG2 4.32Å
96	K	50.4	Low	61.9	Low	204 Å²	204	74.8 Å²	74.8	89%	0.887	45%	0.449	S	S	*	.			trans	-86.1	42.3	166.1	-71.2	-174.2	176.1	-180	0	111.5	P98	K96-P98 WeakPolarHBondContact O-CD 3.48Å
97	V	45.7	Very low	60.4	Low	34 Å²	34	76.8 Å²	76.8	21%	0.206	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-83.8	117	175.8	-152.1	0	0	0	0	108.4	I94 L95 I99 W120 Y124	I94-V97 WeakPolarHBondContact O-CG2 3.43Å; L95-V97 PolarHBondContact O-N 2.95Å; V97-I99 PolarHBondContact O-N 3.33Å; V97-W120 HydrophobicContact CB-CH2 4.43Å; V97-W120 HydrophobicContact CG1-CH2 3.6Å; V97-W120 HydrophobicContact CG1-CZ2 3.92Å; V97-Y124 HydrophobicContact CB-CE1 4.38Å; V97-Y124 HydrophobicContact CG1-CD1 4.49Å; V97-Y124 HydrophobicContact CG1-CE1 4.06Å; V97-Y124 HydrophobicContact CG1-CE2 4.16Å; V97-Y124 HydrophobicContact CG2-CD1 4.19Å; V97-Y124 HydrophobicContact CG2-CE1 3.36Å
98	P	46.4	Very low	58.7	Low	106 Å²	106	87.7 Å²	87.7	69%	0.688	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-62.6	130.3	168.4	26.3	-32.1	0	0	0	108.6	K96	K96-P98 WeakPolarHBondContact O-CD 3.48Å
99	I	48.2	Very low	56.9	Low	94 Å²	94	96.5 Å²	96.5	48%	0.482	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-65.2	126.4	174.1	-60.9	173	0	0	0	106.9	V97 N101 I103 F117	V97-I99 PolarHBondContact O-N 3.33Å; I99-N101 PolarHBondContact O-N 3.17Å; I99-I103 WeakPolarHBondContact CG2-O 3.48Å; I99-F117 HydrophobicContact CG2-CE2 4.4Å
100	P	49.8	Very low	55.2	Low	43 Å²	43	101.5 Å²	101.5	28%	0.279	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-59.3	126.8	179.1	22.9	-33.4	0	0	0	110.4	G102 I103 W120	P100-G102 PolarHBondContact O-N 2.97Å; P100-I103 HydrophobicContact CG-CB 4.36Å; P100-I103 HydrophobicContact CG-CD1 3.86Å; P100-I103 HydrophobicContact CG-CG1 4.13Å; P100-I103 PolarHBondContact O-N 3.01Å; P100-W120 HydrophobicContact CG-CD2 4.31Å; P100-W120 HydrophobicContact CG-CH2 4.41Å; P100-W120 HydrophobicContact CG-CZ2 4.19Å
101	N	47.9	Very low	53.7	Low	171 Å²	171	97.3 Å²	97.3	91%	0.914	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	134	-176.4	-75	-21.9	0	0	0	111.2	I99	I99-N101 PolarHBondContact O-N 3.17Å
102	G	51.3	Low	52.9	Low	82 Å²	82	102.3 Å²	102.3	85%	0.845	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.4	-20	-175.3	0	0	0	0	0	115.5	P100 N104	P100-G102 PolarHBondContact O-N 2.97Å; G102-N104 VanDerWaalsContact C-N 3.3Å; G102-N104 PolarHBondContact O-N 3.19Å
103	I	52.9	Low	52.2	Low	42 Å²	42	101.5 Å²	101.5	22%	0.215	56%	0.557	C	S	.	*			trans	-92.8	57.2	175.4	-42	-169.1	0	0	0	111	I99 P100 P105 F117	I99-I103 WeakPolarHBondContact CG2-O 3.48Å; P100-I103 HydrophobicContact CG-CB 4.36Å; P100-I103 HydrophobicContact CG-CD1 3.86Å; P100-I103 HydrophobicContact CG-CG1 4.13Å; P100-I103 PolarHBondContact O-N 3.01Å; I103-P105 WeakPolarHBondContact O-CD 3.49Å; I103-F117 HydrophobicContact CG2-CB 3.77Å; I103-F117 HydrophobicContact CG2-CD2 3.95Å; I103-F117 HydrophobicContact CG2-CG 4.32Å
104	N	48.5	Very low	51.8	Low	100 Å²	100	101.5 Å²	101.5	54%	0.535	55%	0.551	S	S	.	*			trans	-86.4	115.9	175.6	-170.1	-15.2	0	0	0	110.7	G102 S106	G102-N104 VanDerWaalsContact C-N 3.3Å; G102-N104 PolarHBondContact O-N 3.19Å; N104-S106 PolarHBondContact ND2-OG 3.43Å; N104-S106 PolarHBondContact O-N 3.23Å; N104-S106 VanDerWaalsContact O-N 3.1Å; N104-S106 VanDerWaalsContact OD1-CB 3.3Å; N104-S106 WeakPolarHBondContact OD1-CB 3.31Å; N104-S106 PolarHBondContact OD1-N 3.49Å; N104-S106 VanDerWaalsContact OD1-N 3.11Å; N104-S106 PolarHBondContact OD1-OG 2.84Å; N104-S106 VanDerWaalsContact OD1-OG 3.12Å
105	P	51.4	Low	52.1	Low	80 Å²	80	103.2 Å²	103.2	52%	0.519	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.4	1	-179.1	30.6	-36.5	0	0	0	114.4	I103 T107	I103-P105 WeakPolarHBondContact O-CD 3.49Å; P105-T107 PolarHBondContact O-N 3.2Å
106	S	51.3	Low	52.8	Low	82 Å²	82	107.8 Å²	107.8	57%	0.573	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-25	178.6	62.2	0	0	0	0	114.8	N104 R108	N104-S106 PolarHBondContact ND2-OG 3.43Å; N104-S106 PolarHBondContact O-N 3.23Å; N104-S106 VanDerWaalsContact O-N 3.1Å; N104-S106 VanDerWaalsContact OD1-CB 3.3Å; N104-S106 WeakPolarHBondContact OD1-CB 3.31Å; N104-S106 PolarHBondContact OD1-N 3.49Å; N104-S106 VanDerWaalsContact OD1-N 3.11Å; N104-S106 PolarHBondContact OD1-OG 2.84Å; N104-S106 VanDerWaalsContact OD1-OG 3.12Å; S106-R108 PolarHBondContact O-N 2.95Å
107	T	46.7	Very low	53.4	Low	93 Å²	93	99.7 Å²	99.7	57%	0.571	54%	0.535	S	S	*	.			trans	-85.2	95.1	-172.9	49.9	0	0	0	0	112.8	P105 R109	P105-T107 PolarHBondContact O-N 3.2Å; T107-R109 VanDerWaalsContact C-N 3.33Å; T107-R109 PolarHBondContact O-N 2.94Å
108	R	49.4	Very low	54.1	Low	244 Å²	244	99.2 Å²	99.2	92%	0.921	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	86	168.3	-84.2	-177.6	164.2	-174.8	-2.6	112.4	S106	S106-R108 PolarHBondContact O-N 2.95Å
109	R	50.9	Low	55.1	Low	237 Å²	237	99.7 Å²	99.7	89%	0.894	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-175.9	-28.8	146.7	-110.9	164.2	-78.3	-162.5	0.8	114.9	T107 G111	T107-R109 VanDerWaalsContact C-N 3.33Å; T107-R109 PolarHBondContact O-N 2.94Å; R109-G111 PolarHBondContact O-N 3.34Å
110	N	52.3	Low	56.3	Low	112 Å²	112	99.1 Å²	99.1	60%	0.599	51%	0.513	S	S	*	.			trans	-92.3	85.8	-165.2	-69.2	-6.2	0	0	0	113.5	H112 A113	N110-H112 PolarHBondContact O-N 3.36Å; N110-H112 VanDerWaalsContact O-N 3.17Å; N110-A113 HydrophobicContact CB-CB 4.18Å; N110-A113 WeakPolarHBondContact O-CB 3.45Å; N110-A113 PolarHBondContact O-N 2.84Å
111	G	56.2	Low	56.5	Low	51 Å²	51	97.7 Å²	97.7	53%	0.526	50%	0.502	S	S	.	.	H	α-helix	trans	-53.4	-34.7	175.6	0	0	0	0	0	114	R109 A113 L114 E115	R109-G111 PolarHBondContact O-N 3.34Å; G111-A113 VanDerWaalsContact C-N 3.29Å; G111-A113 PolarHBondContact O-N 3.15Å; G111-L114 WeakPolarHBondContact O-CB 3.47Å; G111-L114 PolarHBondContact O-N 2.72Å; G111-E115 PolarHBondContact O-N 3.08Å
112	H	67.5	Low	57.3	Low	119 Å²	119	96.8 Å²	96.8	55%	0.551	49%	0.485	S	S	*	.	H	α-helix	trans	-62.3	-31.5	175.9	-174.4	-130.1	0	0	0	113.4	N110 R116	N110-H112 PolarHBondContact O-N 3.36Å; N110-H112 VanDerWaalsContact O-N 3.17Å; H112-R116 VanDerWaalsContact O-CB 3.32Å; H112-R116 WeakPolarHBondContact O-CB 3.33Å; H112-R116 PolarHBondContact O-N 2.86Å
113	A	58.1	Low	58.2	Low	41 Å²	41	101.7 Å²	101.7	34%	0.339	48%	0.479	S	S	.	.	H	α-helix	trans	-70.8	-40.5	175.6	0	0	0	0	0	111.4	N110 G111 E115 R116 F117	N110-A113 HydrophobicContact CB-CB 4.18Å; N110-A113 WeakPolarHBondContact O-CB 3.45Å; N110-A113 PolarHBondContact O-N 2.84Å; G111-A113 VanDerWaalsContact C-N 3.29Å; G111-A113 PolarHBondContact O-N 3.15Å; A113-E115 VanDerWaalsContact C-N 3.33Å; A113-E115 PolarHBondContact O-N 3.3Å; A113-R116 PolarHBondContact O-N 3.31Å; A113-F117 PolarHBondContact O-N 2.89Å
114	L	56.3	Low	58.6	Low	77 Å²	77	103.6 Å²	103.6	40%	0.403	48%	0.483	S	S	.	.	H	α-helix	trans	-61	-42.5	174.2	-161.2	73.8	0	0	0	111.3	G111 T118 P231	G111-L114 WeakPolarHBondContact O-CB 3.47Å; G111-L114 PolarHBondContact O-N 2.72Å; L114-T118 WeakPolarHBondContact O-CB 3.3Å; L114-T118 PolarHBondContact O-N 2.96Å; L114-T118 PolarHBondContact O-OG1 3.45Å; L114-P231 HydrophobicContact CD1-CB 4.36Å; L114-P231 HydrophobicContact CD1-CG 3.68Å; L114-P231 HydrophobicContact CG-CG 4.4Å
115	E	61.1	Low	58.9	Low	95 Å²	95	100.9 Å²	100.9	44%	0.444	47%	0.469	S	S	.	.	H	α-helix	trans	-69.2	-39.4	178.1	-147.4	-150	140.2	0	0	111.9	G111 A113 T118 R119	G111-E115 PolarHBondContact O-N 3.08Å; A113-E115 VanDerWaalsContact C-N 3.33Å; A113-E115 PolarHBondContact O-N 3.3Å; E115-T118 PolarHBondContact O-N 3.25Å; E115-R119 PolarHBondContact O-N 3.49Å; E115-R119 IonicContact OE1-CZ 2.71Å; E115-R119 IonicContact OE1-NE 3.19Å; E115-R119 PolarHBondContact OE1-NE 3.27Å; E115-R119 IonicContact OE1-NH2 2.79Å; E115-R119 PolarHBondContact OE1-NH2 3.1Å; E115-R119 IonicContact OE2-CZ 2.64Å; E115-R119 IonicContact OE2-NH2 3.48Å; E115-R119 PolarHBondContact OE2-NH2 2.81Å
116	R	67	Low	59	Low	157 Å²	157	101.2 Å²	101.2	59%	0.592	47%	0.472	S	S	*	.	H	α-helix	trans	-63.1	-43	175.3	-160.9	174.6	-164	160.8	4.6	111.6	H112 A113 R119 W120	H112-R116 VanDerWaalsContact O-CB 3.32Å; H112-R116 WeakPolarHBondContact O-CB 3.33Å; H112-R116 PolarHBondContact O-N 2.86Å; A113-R116 PolarHBondContact O-N 3.31Å; R116-R119 PolarHBondContact O-N 3.24Å; R116-W120 WeakPolarHBondContact O-CB 3.29Å; R116-W120 PolarHBondContact O-N 3.27Å
117	F	62.5	Low	59.3	Low	33 Å²	33	101.5 Å²	101.5	15%	0.145	47%	0.474	C	S	.	.	H	α-helix	trans	-59.3	-47.3	170.3	-176.7	-98.7	0	0	0	111.5	I99 I103 A113 R119 W120 Y121 P231	I99-F117 HydrophobicContact CG2-CE2 4.4Å; I103-F117 HydrophobicContact CG2-CB 3.77Å; I103-F117 HydrophobicContact CG2-CD2 3.95Å; I103-F117 HydrophobicContact CG2-CG 4.32Å; A113-F117 PolarHBondContact O-N 2.89Å; F117-R119 PolarHBondContact O-N 3.46Å; F117-W120 HydrophobicContact CD2-CE3 4.07Å; F117-W120 HydrophobicContact CD2-CZ3 4.25Å; F117-W120 AromaticContact CE2-CE3 3.95Å; F117-W120 HydrophobicContact CE2-CE3 3.95Å; F117-W120 AromaticContact CE2-CZ3 3.67Å; F117-W120 HydrophobicContact CE2-CZ3 3.67Å; F117-W120 HydrophobicContact CZ-CZ3 4.2Å; F117-W120 PolarHBondContact O-N 3.14Å; F117-Y121 WeakPolarHBondContact O-CB 3.46Å; F117-Y121 PolarHBondContact O-N 3.18Å; F117-P231 HydrophobicContact CD1-CB 3.9Å; F117-P231 HydrophobicContact CE1-CB 4.16Å
118	T	61	Low	59.4	Low	24 Å²	24	98.8 Å²	98.8	15%	0.147	46%	0.459	C	S	.	.	H	α-helix	trans	-63.3	-39.8	-178.7	-56.4	0	0	0	0	111.9	L114 E115 R122 Y232	L114-T118 WeakPolarHBondContact O-CB 3.3Å; L114-T118 PolarHBondContact O-N 2.96Å; L114-T118 PolarHBondContact O-OG1 3.45Å; E115-T118 PolarHBondContact O-N 3.25Å; T118-R122 VanDerWaalsContact O-CB 3.24Å; T118-R122 WeakPolarHBondContact O-CB 3.46Å; T118-R122 PolarHBondContact O-N 2.82Å; T118-Y232 HydrophobicContact CG2-CE2 4.15Å
119	R	66.8	Low	59.3	Low	116 Å²	116	93.8 Å²	93.8	44%	0.438	45%	0.446	S	S	.	.	H	α-helix	trans	-67.5	-41.5	173.9	-72.7	-170.8	-128.5	131.8	-6.8	112.2	E115 R116 F117 R123	E115-R119 PolarHBondContact O-N 3.49Å; E115-R119 IonicContact OE1-CZ 2.71Å; E115-R119 IonicContact OE1-NE 3.19Å; E115-R119 PolarHBondContact OE1-NE 3.27Å; E115-R119 IonicContact OE1-NH2 2.79Å; E115-R119 PolarHBondContact OE1-NH2 3.1Å; E115-R119 IonicContact OE2-CZ 2.64Å; E115-R119 IonicContact OE2-NH2 3.48Å; E115-R119 PolarHBondContact OE2-NH2 2.81Å; R116-R119 PolarHBondContact O-N 3.24Å; F117-R119 PolarHBondContact O-N 3.46Å; R119-R123 WeakPolarHBondContact O-CB 3.23Å; R119-R123 PolarHBondContact O-N 2.85Å; R119-R123 VanDerWaalsContact O-N 3.08Å
120	W	73.6	Confident	58.8	Low	83 Å²	83	85.6 Å²	85.6	31%	0.314	44%	0.435	S	S	.	.	H	α-helix	trans	-62.2	-50.7	175.3	169.2	83	0	0	0	111.8	V97 P100 R116 F117 R122 R123 Y124	V97-W120 HydrophobicContact CB-CH2 4.43Å; V97-W120 HydrophobicContact CG1-CH2 3.6Å; V97-W120 HydrophobicContact CG1-CZ2 3.92Å; P100-W120 HydrophobicContact CG-CD2 4.31Å; P100-W120 HydrophobicContact CG-CH2 4.41Å; P100-W120 HydrophobicContact CG-CZ2 4.19Å; R116-W120 WeakPolarHBondContact O-CB 3.29Å; R116-W120 PolarHBondContact O-N 3.27Å; F117-W120 HydrophobicContact CD2-CE3 4.07Å; F117-W120 HydrophobicContact CD2-CZ3 4.25Å; F117-W120 AromaticContact CE2-CE3 3.95Å; F117-W120 HydrophobicContact CE2-CE3 3.95Å; F117-W120 AromaticContact CE2-CZ3 3.67Å; F117-W120 HydrophobicContact CE2-CZ3 3.67Å; F117-W120 HydrophobicContact CZ-CZ3 4.2Å; F117-W120 PolarHBondContact O-N 3.14Å; W120-R122 PolarHBondContact O-N 3.46Å; W120-R123 WeakPolarHBondContact O-CB 3.29Å; W120-R123 PolarHBondContact O-N 3.29Å; W120-R123 VanDerWaalsContact O-N 3.15Å; W120-Y124 PolarHBondContact O-N 2.97Å
121	Y	54.9	Low	57.9	Low	13 Å²	13	84.6 Å²	84.6	5%	0.051	44%	0.442	C	S	.	.	H	α-helix	trans	-65.5	-38.8	-178.7	-172	-96.9	0	0	0	112.2	F117 R123 Y124 L125 P204 Y232	F117-Y121 WeakPolarHBondContact O-CB 3.46Å; F117-Y121 PolarHBondContact O-N 3.18Å; Y121-R123 VanDerWaalsContact C-N 3.33Å; Y121-R123 PolarHBondContact O-N 3.02Å; Y121-Y124 PolarHBondContact O-N 2.88Å; Y121-L125 HydrophobicContact CD1-CD1 3.86Å; Y121-L125 HydrophobicContact CD1-CG 4.23Å; Y121-L125 HydrophobicContact CE1-CD1 3.51Å; Y121-L125 HydrophobicContact CE1-CD2 4.48Å; Y121-L125 HydrophobicContact CE1-CG 3.96Å; Y121-L125 WeakPolarHBondContact O-CG 3.24Å; Y121-L125 PolarHBondContact O-N 2.86Å; Y121-P204 HydrophobicContact CE1-CB 4.41Å; Y121-P204 HydrophobicContact CE2-CG 4.22Å; Y121-P204 WeakPolarHBondContact OH-CB 3.48Å; Y121-P204 WeakPolarHBondContact OH-CG 3.34Å; Y121-Y232 HydrophobicContact CD1-CD1 4.46Å; Y121-Y232 AromaticContact CD1-CD2 3.47Å; Y121-Y232 HydrophobicContact CD1-CD2 3.47Å; Y121-Y232 VanDerWaalsContact CD1-CD2 3.47Å; Y121-Y232 HydrophobicContact CD1-CE1 4.35Å; Y121-Y232 AromaticContact CD1-CE2 3.36Å; Y121-Y232 HydrophobicContact CD1-CE2 3.36Å; Y121-Y232 HydrophobicContact CD1-CG 4.06Å; Y121-Y232 AromaticContact CD1-CZ 3.83Å; Y121-Y232 HydrophobicContact CE1-CD1 4.13Å; Y121-Y232 AromaticContact CE1-CD2 3.73Å; Y121-Y232 HydrophobicContact CE1-CD2 3.73Å; Y121-Y232 HydrophobicContact CE1-CE1 4.32Å; Y121-Y232 AromaticContact CE1-CE2 3.99Å; Y121-Y232 HydrophobicContact CE1-CE2 3.99Å; Y121-Y232 AromaticContact CE1-CG 3.83Å; Y121-Y232 HydrophobicContact CE1-CG 3.83Å; Y121-Y232 HydrophobicContact CG-CD2 4.38Å; Y121-Y232 HydrophobicContact CG-CE2 4.29Å
122	R	64.2	Low	56.8	Low	151 Å²	151	87.9 Å²	87.9	57%	0.57	45%	0.453	S	S	*	.	H	α-helix	trans	-61.2	-41.7	172.8	-166.5	-171.2	-58.1	-179.3	1.6	111.6	T118 W120 C126	T118-R122 VanDerWaalsContact O-CB 3.24Å; T118-R122 WeakPolarHBondContact O-CB 3.46Å; T118-R122 PolarHBondContact O-N 2.82Å; W120-R122 PolarHBondContact O-N 3.46Å; R122-C126 PolarHBondContact O-N 2.98Å; R122-C126 VanDerWaalsContact O-N 3.12Å; R122-C126 PolarHBondContact O-SG 3.39Å; R122-C126 VanDerWaalsContact O-SG 3.33Å
123	R	69.5	Low	55.1	Low	186 Å²	186	89 Å²	89	70%	0.702	47%	0.468	S	S	*	.	H	α-helix	trans	-66.3	-43.9	176.6	-170	179.9	-68.6	170.7	-5.2	111.6	R119 W120 Y121 L125 C126 S127	R119-R123 WeakPolarHBondContact O-CB 3.23Å; R119-R123 PolarHBondContact O-N 2.85Å; R119-R123 VanDerWaalsContact O-N 3.08Å; W120-R123 WeakPolarHBondContact O-CB 3.29Å; W120-R123 PolarHBondContact O-N 3.29Å; W120-R123 VanDerWaalsContact O-N 3.15Å; Y121-R123 VanDerWaalsContact C-N 3.33Å; Y121-R123 PolarHBondContact O-N 3.02Å; R123-L125 PolarHBondContact O-N 3.14Å; R123-C126 PolarHBondContact O-N 3.43Å; R123-S127 PolarHBondContact O-N 3.45Å; R123-S127 PolarHBondContact O-OG 3.08Å
124	Y	61.6	Low	53.6	Low	81 Å²	81	96 Å²	96	32%	0.318	49%	0.493	S	S	.	.	H	α-helix	trans	-59.2	-44.4	175.3	178.2	-101.1	0	0	0	112.3	I94 V97 W120 Y121 S127 S128	I94-Y124 HydrophobicContact CG2-CE1 3.81Å; V97-Y124 HydrophobicContact CB-CE1 4.38Å; V97-Y124 HydrophobicContact CG1-CD1 4.49Å; V97-Y124 HydrophobicContact CG1-CE1 4.06Å; V97-Y124 HydrophobicContact CG1-CE2 4.16Å; V97-Y124 HydrophobicContact CG2-CD1 4.19Å; V97-Y124 HydrophobicContact CG2-CE1 3.36Å; W120-Y124 PolarHBondContact O-N 2.97Å; Y121-Y124 PolarHBondContact O-N 2.88Å; Y124-S127 PolarHBondContact O-N 3.12Å; Y124-S128 WeakPolarHBondContact O-CB 3.44Å; Y124-S128 PolarHBondContact O-N 3.19Å
125	L	54.6	Low	52.2	Low	44 Å²	44	98.3 Å²	98.3	23%	0.23	51%	0.51	C	S	.	.	H	α-helix	trans	-59.7	-46.6	174	-77.2	177.7	0	0	0	112.3	Y121 R123 S127 S128 Q129	Y121-L125 HydrophobicContact CD1-CD1 3.86Å; Y121-L125 HydrophobicContact CD1-CG 4.23Å; Y121-L125 HydrophobicContact CE1-CD1 3.51Å; Y121-L125 HydrophobicContact CE1-CD2 4.48Å; Y121-L125 HydrophobicContact CE1-CG 3.96Å; Y121-L125 WeakPolarHBondContact O-CG 3.24Å; Y121-L125 PolarHBondContact O-N 2.86Å; R123-L125 PolarHBondContact O-N 3.14Å; L125-S127 PolarHBondContact O-N 2.73Å; L125-S128 WeakPolarHBondContact CA-OG 3.21Å; L125-S128 PolarHBondContact O-N 3.48Å; L125-S128 PolarHBondContact O-OG 3.41Å; L125-Q129 PolarHBondContact O-N 2.83Å; L125-Q129 VanDerWaalsContact O-N 3.17Å
126	C	54.7	Low	50.4	Low	86 Å²	86	99.5 Å²	99.5	58%	0.581	53%	0.529	S	S	*	.	H	α-helix	trans	-60.2	-43.1	176.4	-68.3	0	0	0	0	112.2	R122 R123 Q129 G130	R122-C126 PolarHBondContact O-N 2.98Å; R122-C126 VanDerWaalsContact O-N 3.12Å; R122-C126 PolarHBondContact O-SG 3.39Å; R122-C126 VanDerWaalsContact O-SG 3.33Å; R123-C126 PolarHBondContact O-N 3.43Å; C126-Q129 PolarHBondContact O-N 2.72Å; C126-G130 PolarHBondContact O-N 3.43Å
127	S	55.9	Low	48.7	Very low	88 Å²	88	97.8 Å²	97.8	62%	0.615	54%	0.538	S	S	*	.	H	α-helix	trans	-62.1	-41.9	174.2	-63.8	0	0	0	0	112.2	R123 Y124 L125 Q129 G130	R123-S127 PolarHBondContact O-N 3.45Å; R123-S127 PolarHBondContact O-OG 3.08Å; Y124-S127 PolarHBondContact O-N 3.12Å; L125-S127 PolarHBondContact O-N 2.73Å; S127-Q129 VanDerWaalsContact C-N 3.25Å; S127-Q129 PolarHBondContact O-N 3Å; S127-G130 PolarHBondContact O-N 2.84Å
128	S	49.8	Very low	47.1	Very low	37 Å²	37	101.9 Å²	101.9	26%	0.259	57%	0.571	S	S	.	*	H	α-helix	trans	-66.4	-23	-179.5	72.8	0	0	0	0	114.4	Y124 L125	Y124-S128 WeakPolarHBondContact O-CB 3.44Å; Y124-S128 PolarHBondContact O-N 3.19Å; L125-S128 WeakPolarHBondContact CA-OG 3.21Å; L125-S128 PolarHBondContact O-N 3.48Å; L125-S128 PolarHBondContact O-OG 3.41Å
129	Q	47.9	Very low	45.6	Very low	139 Å²	139	108.1 Å²	108.1	65%	0.65	60%	0.602	S	S	*	*	H	α-helix	trans	-88.9	-11.8	177.2	-68.4	178.1	16.2	0	0	112.9	L125 C126 S127 A131	L125-Q129 PolarHBondContact O-N 2.83Å; L125-Q129 VanDerWaalsContact O-N 3.17Å; C126-Q129 PolarHBondContact O-N 2.72Å; S127-Q129 VanDerWaalsContact C-N 3.25Å; S127-Q129 PolarHBondContact O-N 3Å; Q129-A131 PolarHBondContact O-N 3.46Å
130	G	38.6	Very low	43.7	Very low	65 Å²	65	112.6 Å²	112.6	67%	0.67	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-7	178.5	0	0	0	0	0	115	C126 S127	C126-G130 PolarHBondContact O-N 3.43Å; S127-G130 PolarHBondContact O-N 2.84Å
131	A	34.8	Very low	41.4	Very low	90 Å²	90	113.9 Å²	113.9	74%	0.744	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-8.8	-175.4	0	0	0	0	0	114.8	Q129	Q129-A131 PolarHBondContact O-N 3.46Å
132	T	33.4	Very low	40.2	Very low	121 Å²	121	120.1 Å²	120.1	74%	0.742	69%	0.686	S	S	*	*	S	Bend	trans	-96.3	122.4	172.3	47.9	0	0	0	0	110.5
133	T	30.4	Very low	38.4	Very low	142 Å²	142	117.9 Å²	117.9	87%	0.871	69%	0.693	S	S	*	*			trans	-61.4	143.7	-169.6	39.2	0	0	0	0	115.1	V135	T133-V135 PolarHBondContact O-N 3.21Å
134	H	26.7	Very low	36.5	Very low	187 Å²	187	118.1 Å²	118.1	87%	0.866	70%	0.7	S	S	*	*			trans	-25.9	122.6	165.7	-96.1	-132.1	0	0	0	115.9
135	V	28	Very low	34.9	Very low	127 Å²	127	124.9 Å²	124.9	77%	0.77	73%	0.725	S	S	*	*				-149.8	135.5	110.2	-179.8	0	0	0	0	108.4	T133	T133-V135 PolarHBondContact O-N 3.21Å
136	S	23	Very low	33.5	Very low	120 Å²	120	127.3 Å²	127.3	84%	0.839	75%	0.751	S	S	*	*			trans	-130.6	119.6	168.9	-65.7	0	0	0	0	111
137	P	31.4	Very low	32.4	Very low	121 Å²	121	130.4 Å²	130.4	79%	0.786	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-89.9	142.9	160.6	-9.9	29.1	0	0	0	111
138	S	28.7	Very low	31.3	Very low	119 Å²	119	132.5 Å²	132.5	83%	0.832	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-76.7	158.1	-178.7	-168.3	0	0	0	0	113.4
139	I	28.9	Very low	30.3	Very low	155 Å²	155	137.3 Å²	137.3	80%	0.795	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-62.4	130	177.4	-60.5	162.3	0	0	0	110.8
140	K	27.8	Very low	29.5	Very low	210 Å²	210	136.3 Å²	136.3	91%	0.913	80%	0.803	S	S	*	*			trans	-147.4	138.8	146.3	-108.4	169.9	-172.3	179	0	109.8
141	S	25.3	Very low	29.1	Very low	109 Å²	109	143.4 Å²	143.4	76%	0.762	82%	0.815	S	S	*	*			trans	-105.9	123.9	-164.9	53.3	0	0	0	0	113
142	T	29.2	Very low	28.7	Very low	144 Å²	144	146.7 Å²	146.7	88%	0.883	82%	0.819	S	S	*	*			trans	-143.3	128.4	160.4	42.8	0	0	0	0	109.8
143	S	26.8	Very low	28.6	Very low	104 Å²	104	145.5 Å²	145.5	73%	0.727	82%	0.821	S	S	*	*			trans	-73.2	152	171	53.8	0	0	0	0	111.9
144	F	29	Very low	28.5	Very low	192 Å²	192	146.2 Å²	146.2	84%	0.842	82%	0.819	S	S	*	*			trans	-152.7	174.5	130.7	-117.7	-80.1	0	0	0	111.4
145	R	29	Very low	28.7	Very low	222 Å²	222	145 Å²	145	84%	0.838	82%	0.819	S	S	*	*			trans	-77	157.1	-166.1	-68.6	-179	168.5	100.6	-3.4	113.5
146	A	25.2	Very low	28.9	Very low	95 Å²	95	144.4 Å²	144.4	79%	0.785	82%	0.816	S	S	*	*			trans	-77.5	152.8	160.3	0	0	0	0	0	110.8
147	D	31.1	Very low	29.3	Very low	151 Å²	151	146.7 Å²	146.7	81%	0.807	81%	0.813	S	S	*	*			trans	-147.4	176.5	148.1	-136.2	-39.5	0	0	0	110.8
148	N	31.4	Very low	29.4	Very low	132 Å²	132	147.6 Å²	147.6	71%	0.706	80%	0.802	S	S	*	*			trans	-103.6	170.9	-144.1	-73.3	-84.7	0	0	0	117.6
149	T	29.3	Very low	29.5	Very low	138 Å²	138	150.7 Å²	150.7	85%	0.847	80%	0.8	S	S	*	*			trans	67.3	110.6	153.8	38.3	0	0	0	0	120.3
150	S	32.2	Very low	29.7	Very low	119 Å²	119	148 Å²	148	83%	0.832	80%	0.796	S	S	*	*				-158.3	156.8	119.5	41.2	0	0	0	0	113
151	K	28.7	Very low	29.9	Very low	213 Å²	213	145.2 Å²	145.2	93%	0.926	79%	0.789	S	S	*	*			trans	-58.9	136.1	-167.7	-59.8	157.5	-179.4	173.5	0	113.6
152	I	27.9	Very low	30.3	Very low	160 Å²	160	144.2 Å²	144.2	82%	0.821	78%	0.782	S	S	*	*			trans	-109.1	133.6	163.5	-64.5	177.2	0	0	0	108.8
153	A	30.8	Very low	30.2	Very low	95 Å²	95	144.3 Å²	144.3	79%	0.785	78%	0.777	S	S	*	*			trans	-88	140.9	176.4	0	0	0	0	0	111.7
154	N	28.4	Very low	30.4	Very low	158 Å²	158	147.3 Å²	147.3	85%	0.845	78%	0.784	S	S	*	*			trans	-85.1	113.3	177	-74	-31.3	0	0	0	111.1
155	N	30	Very low	30.3	Very low	160 Å²	160	149.2 Å²	149.2	86%	0.856	79%	0.786	S	S	*	*			trans	-156.2	93.8	160.8	-130.6	-16.4	0	0	0	111.2
156	T	32.9	Very low	30.4	Very low	116 Å²	116	145.8 Å²	145.8	71%	0.712	78%	0.784	S	S	*	*			trans	-108.3	85.2	179.2	50.4	0	0	0	0	111.1	Y158	T156-Y158 PolarHBondContact O-N 2.65Å
157	H	30.8	Very low	30.6	Very low	167 Å²	167	149.6 Å²	149.6	77%	0.773	79%	0.786	S	S	*	*			trans	-75.5	105.5	173.9	-162.1	-67.6	0	0	0	109.8	K159	H157-K159 PolarHBondContact O-N 2.77Å
158	Y	33.6	Very low	30.8	Very low	140 Å²	140	150.7 Å²	150.7	55%	0.549	79%	0.792	S	S	.	*			trans	-65	128.7	178.1	-166.7	-105.2	0	0	0	109.8	T156	T156-Y158 PolarHBondContact O-N 2.65Å
159	K	31.6	Very low	30.7	Very low	184 Å²	184	152.9 Å²	152.9	80%	0.8	80%	0.795	S	S	*	*			trans	-109.2	117.4	178.6	-137.7	179.6	-174.1	-176.9	0	107.3	H157 I161	H157-K159 PolarHBondContact O-N 2.77Å; K159-I161 PolarHBondContact O-N 3.5Å
160	S	33.5	Very low	31	Very low	100 Å²	100	155.5 Å²	155.5	70%	0.699	80%	0.797	S	S	*	*			trans	-58.2	128.6	-178.3	-52	0	0	0	0	110.9	S162	S160-S162 PolarHBondContact O-N 2.92Å
161	I	32	Very low	31	Very low	150 Å²	150	156 Å²	156	77%	0.769	79%	0.791	S	S	*	*			trans	-86.1	89.5	176.9	-56.5	177.7	0	0	0	108.4	K159	K159-I161 PolarHBondContact O-N 3.5Å
162	S	32.9	Very low	30.9	Very low	89 Å²	89	151.1 Å²	151.1	62%	0.622	78%	0.782	S	S	*	*			trans	-102.9	158.5	156.9	50.9	0	0	0	0	109.8	S160	S160-S162 PolarHBondContact O-N 2.92Å
163	N	27.7	Very low	31.1	Very low	146 Å²	146	150.6 Å²	150.6	78%	0.781	79%	0.786	S	S	*	*			trans	69.9	78.2	174.9	-50.1	-13.9	0	0	0	115.8
164	L	30.5	Very low	31.1	Very low	167 Å²	167	151.2 Å²	151.2	87%	0.874	78%	0.78	S	S	*	*			trans	-132.8	106.2	133.7	-91.5	114.5	0	0	0	108.4
165	R	26.2	Very low	30.9	Very low	231 Å²	231	149.3 Å²	149.3	87%	0.872	77%	0.774	S	S	*	*			trans	-121.4	126.8	157.1	-76.8	-177.3	179	175.1	-0.9	105.3
166	D	32.5	Very low	31.1	Very low	150 Å²	150	147.7 Å²	147.7	80%	0.802	77%	0.773	S	S	*	*			trans	-159.3	117.3	150.9	-77	-46.9	0	0	0	102.6
167	E	29.1	Very low	30.6	Very low	175 Å²	175	148.7 Å²	148.7	82%	0.818	78%	0.779	S	S	*	*				70.7	86.8	75.6	-71.8	-81.2	89.3	0	0	111.4
168	D	35.3	Very low	30.8	Very low	175 Å²	175	145.7 Å²	145.7	94%	0.936	78%	0.777	S	S	*	*			trans	-156.6	140.4	158	-106.7	-33	0	0	0	108.9
169	K	28.9	Very low	30.7	Very low	177 Å²	177	148 Å²	148	77%	0.77	79%	0.792	S	S	*	*			trans	-153.3	112.9	-160.1	173.9	-157.4	167.6	-164.7	0	112.4
170	E	35.6	Very low	30.4	Very low	193 Å²	193	144.2 Å²	144.2	90%	0.902	79%	0.789	S	S	*	*			trans	-138.1	99.4	167.2	-71.6	-167.6	124.4	0	0	112.6
171	D	32.6	Very low	30.5	Very low	130 Å²	130	146.6 Å²	146.6	70%	0.695	80%	0.799	S	S	*	*				46.4	94	126.7	-60.1	-1.8	0	0	0	122.1
172	C	26.3	Very low	30.3	Very low	110 Å²	110	142.5 Å²	142.5	74%	0.743	79%	0.794	S	S	*	*				40.5	117.2	114.2	-156.7	0	0	0	0	121.1
173	V	32.1	Very low	30.3	Very low	149 Å²	149	145.9 Å²	145.9	90%	0.903	80%	0.8	S	S	*	*			trans	-134.1	143.7	144.9	179.5	0	0	0	0	108.6
174	T	31.3	Very low	30.4	Very low	109 Å²	109	146.2 Å²	146.2	67%	0.669	79%	0.794	S	S	*	*			trans	-102.9	158.9	-156.2	-46.2	0	0	0	0	115.2
175	T	23.3	Very low	30.6	Very low	117 Å²	117	145.1 Å²	145.1	72%	0.718	79%	0.79	S	S	*	*			trans	-46.9	166.4	163.5	22	0	0	0	0	114.9
176	P	33.3	Very low	30.9	Very low	126 Å²	126	140.6 Å²	140.6	82%	0.818	78%	0.782	S	S	*	*				-152.2	-169.9	53.2	43.5	-20.4	0	0	0	119.8
177	T	23.2	Very low	30.9	Very low	138 Å²	138	140.3 Å²	140.3	85%	0.847	78%	0.779	S	S	*	*			trans	-94.7	139	-163.3	-46.4	0	0	0	0	114.6
178	S	34.6	Very low	30.7	Very low	103 Å²	103	140.3 Å²	140.3	72%	0.72	78%	0.779	S	S	*	*			trans	-173.1	142	165.4	55.2	0	0	0	0	110.1
179	E	32.2	Very low	30.7	Very low	189 Å²	189	140.5 Å²	140.5	88%	0.883	78%	0.778	S	S	*	*			cis	-159.5	-164.3	-16.9	-146.4	174	-78.2	0	0	109.3
180	S	24.7	Very low	30.9	Very low	104 Å²	104	136.1 Å²	136.1	73%	0.727	77%	0.77	S	S	*	*			trans	-107.2	108.6	-167.1	59.1	0	0	0	0	117
181	V	35.6	Very low	30.9	Very low	151 Å²	151	135 Å²	135	92%	0.915	77%	0.765	S	S	*	*			trans	-151.6	146.2	163.2	-174.8	0	0	0	0	108.5
182	G	28.5	Very low	31	Very low	64 Å²	64	138 Å²	138	66%	0.66	77%	0.771	S	S	*	*			cis	158.2	140.3	-10.3	0	0	0	0	0	113.4
183	E	32.6	Very low	31.2	Very low	159 Å²	159	136.9 Å²	136.9	74%	0.743	78%	0.779	S	S	*	*			trans	66.6	157	170.2	-155	63.7	168.4	0	0	119
184	K	30.7	Very low	31.3	Very low	154 Å²	154	134.9 Å²	134.9	67%	0.67	77%	0.767	S	S	*	*			trans	-90.5	160.2	-168.1	-31	91.8	-178.5	161.2	0	112.3
185	D	33.5	Very low	31.4	Very low	144 Å²	144	138.3 Å²	138.3	77%	0.77	78%	0.78	S	S	*	*				-169.6	163	104.6	-126.2	-26.4	0	0	0	117.3
186	L	34	Very low	31.7	Very low	136 Å²	136	140.3 Å²	140.3	71%	0.712	78%	0.783	S	S	*	*			trans	69.5	123.3	151.6	-71	165.4	0	0	0	124.3
187	L	31	Very low	31.6	Very low	143 Å²	143	140.2 Å²	140.2	75%	0.749	79%	0.785	S	S	*	*			trans	85.8	94.5	140.8	-65.2	168	0	0	0	122.9
188	H	26	Very low	32	Very low	176 Å²	176	142.2 Å²	142.2	82%	0.815	78%	0.784	S	S	*	*				21.7	127.2	128.1	-71.1	-96.7	0	0	0	121.4
189	I	33.9	Very low	32	Very low	178 Å²	178	143.9 Å²	143.9	91%	0.913	79%	0.79	S	S	*	*				-160	155.3	125.2	-103.9	154.8	0	0	0	110
190	S	34.2	Very low	32.2	Very low	86 Å²	86	137.8 Å²	137.8	60%	0.601	77%	0.768	S	S	*	*			trans	-92.3	149.6	-166.4	148.3	0	0	0	0	115.5
191	E	34.4	Very low	33.1	Very low	168 Å²	168	138.3 Å²	138.3	79%	0.785	77%	0.769	S	S	*	*			trans	10.7	109.2	153.1	-56.3	147.2	100	0	0	119.7
192	K	34.8	Very low	33.9	Very low	193 Å²	193	133.3 Å²	133.3	84%	0.839	75%	0.748	S	S	*	*				-172.1	109.9	113.7	-100.9	152.6	-173.1	166.3	0	111.3	T194	K192-T194 VanDerWaalsContact C-N 3.32Å; K192-T194 PolarHBondContact O-N 3.49Å
193	G	31.4	Very low	35.4	Very low	87 Å²	87	136.5 Å²	136.5	90%	0.897	74%	0.74	S	S	*	*			trans	-72.9	76.8	178.7	0	0	0	0	0	113.1	L195	G193-L195 PolarHBondContact O-N 2.94Å
194	T	34.1	Very low	36.9	Very low	107 Å²	107	130.6 Å²	130.6	66%	0.656	72%	0.715	S	S	*	*			trans	-65.7	116.7	172.2	-56.7	0	0	0	0	110	K192 M196	K192-T194 VanDerWaalsContact C-N 3.32Å; K192-T194 PolarHBondContact O-N 3.49Å; T194-M196 HydrophobicContact CG2-CG 3.6Å; T194-M196 PolarHBondContact O-N 3.33Å
195	L	33.1	Very low	38.7	Very low	181 Å²	181	123.6 Å²	123.6	95%	0.948	69%	0.686	S	S	*	*			trans	-70.2	76.2	170.9	-88.9	167.7	0	0	0	111	G193 C197	G193-L195 PolarHBondContact O-N 2.94Å; L195-C197 PolarHBondContact O-N 3.12Å
196	M	29.5	Very low	40.8	Very low	159 Å²	159	117.2 Å²	117.2	78%	0.783	65%	0.653	S	S	*	*			trans	-77.9	104.8	171.1	-60	-154.8	84.1	0	0	109.7	T194 Q198	T194-M196 HydrophobicContact CG2-CG 3.6Å; T194-M196 PolarHBondContact O-N 3.33Å; M196-Q198 PolarHBondContact O-N 3.47Å
197	C	30.8	Very low	43.2	Very low	125 Å²	125	116.2 Å²	116.2	85%	0.845	64%	0.639	S	S	*	*			trans	-65.8	125.4	168.3	-164.5	0	0	0	0	109	L195 V199	L195-C197 PolarHBondContact O-N 3.12Å; C197-V199 PolarHBondContact O-N 3.01Å; C197-V199 VanDerWaalsContact O-N 3.14Å
198	Q	31.9	Very low	45.8	Very low	179 Å²	179	109.7 Å²	109.7	84%	0.836	61%	0.605	S	S	*	*			trans	-74.3	107	-165.2	-63.4	179.2	4.6	0	0	112	M196 S200	M196-Q198 PolarHBondContact O-N 3.47Å; Q198-S200 PolarHBondContact O-N 3.05Å
199	V	35.1	Very low	48.9	Very low	138 Å²	138	104.7 Å²	104.7	84%	0.836	59%	0.587	S	S	*	*			trans	-67.4	103.2	170.7	-179.4	0	0	0	0	108.9	C197 P201	C197-V199 PolarHBondContact O-N 3.01Å; C197-V199 VanDerWaalsContact O-N 3.14Å; V199-P201 WeakPolarHBondContact O-CD 3.48Å
200	S	35.4	Very low	51.6	Low	61 Å²	61	96.2 Å²	96.2	43%	0.427	54%	0.544	S	S	.	.			trans	-57.6	118.8	173.7	-70.5	0	0	0	0	110.3	Q198 G202 R203	Q198-S200 PolarHBondContact O-N 3.05Å; S200-G202 PolarHBondContact O-N 3.37Å; S200-R203 PolarHBondContact OG-NH2 3.46Å
201	P	45.4	Very low	54.3	Low	115 Å²	115	101.2 Å²	101.2	75%	0.747	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	132.9	-178.2	27.2	-34	0	0	0	111.7	V199 R203	V199-P201 WeakPolarHBondContact O-CD 3.48Å; P201-R203 PolarHBondContact O-N 2.91Å
202	G	52.4	Low	56.9	Low	46 Å²	46	100.4 Å²	100.4	47%	0.474	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	38.2	154.1	0	0	0	0	0	118.1	S200	S200-G202 PolarHBondContact O-N 3.37Å
203	R	59.2	Low	59.4	Low	131 Å²	131	93.9 Å²	93.9	49%	0.494	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-64.7	136.2	172.1	-61.5	-166.8	-169.1	-153	6.6	110.6	S200 P201	S200-R203 PolarHBondContact OG-NH2 3.46Å; P201-R203 PolarHBondContact O-N 2.91Å
204	P	64.3	Low	62.2	Low	35 Å²	35	94.2 Å²	94.2	23%	0.227	51%	0.511	C	S	.	.	B	Isolated β-bridge	trans	-70.6	152.7	-177.9	28.7	-35.3	0	0	0	112.8	L95 Y121 V206 Y232	L95-P204 HydrophobicContact CD2-CG 4.26Å; Y121-P204 HydrophobicContact CE1-CB 4.41Å; Y121-P204 HydrophobicContact CE2-CG 4.22Å; Y121-P204 WeakPolarHBondContact OH-CB 3.48Å; Y121-P204 WeakPolarHBondContact OH-CG 3.34Å; P204-V206 WeakPolarHBondContact O-CG2 3.43Å; P204-Y232 CarbonylContact C-O 3.47Å; P204-Y232 WeakPolarHBondContact CA-O 3.47Å
205	A	69.3	Low	64.7	Low	7 Å²	7	91.5 Å²	91.5	6%	0.058	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-70.1	142.6	171.9	0	0	0	0	0	110.9	C218 W225 Y232	A205-C218 VanDerWaalsContact CA-SG 3.58Å; A205-C218 VanDerWaalsContact CB-SG 3.54Å; A205-W225 HydrophobicContact CB-CH2 4.35Å; A205-W225 HydrophobicContact CB-CZ3 4.14Å; A205-Y232 WeakPolarHBondContact CB-O 3.36Å; A205-Y232 PolarHBondContact N-O 3.39Å
206	V	77.5	Confident	67.4	Low	11 Å²	11	86.4 Å²	86.4	7%	0.067	46%	0.462	C	S	.	.			trans	-126.6	108.1	-167	-167.8	0	0	0	0	109.3	V91 L95 P204 V208 C218 A219	V91-V206 HydrophobicContact CG1-CG1 3.78Å; L95-V206 HydrophobicContact CD1-CB 4.3Å; L95-V206 HydrophobicContact CD1-CG1 3.85Å; L95-V206 HydrophobicContact CD1-CG2 3.48Å; L95-V206 VanDerWaalsContact CD1-CG2 3.48Å; L95-V206 HydrophobicContact CD2-CG2 3.89Å; L95-V206 HydrophobicContact CG-CG2 4.32Å; P204-V206 WeakPolarHBondContact O-CG2 3.43Å; V206-V208 PolarHBondContact O-N 3.46Å; V206-C218 PolarHBondContact N-SG 2.95Å; V206-C218 VanDerWaalsContact N-SG 3.43Å; V206-C218 CarbonylContact O-C 3.56Å; V206-C218 VanDerWaalsContact O-CA 3.25Å; V206-C218 WeakPolarHBondContact O-CA 3.4Å; V206-A219 HydrophobicContact CB-CB 4.25Å; V206-A219 PolarHBondContact O-N 3.17Å
207	R	83.4	Confident	70.1	Confident	114 Å²	114	78.8 Å²	78.8	43%	0.43	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	125.9	179.2	-176.3	-179.4	-105.1	-127.9	-6.3	109.8	E216 W225	R207-E216 IonicContact CZ-OE1 2.69Å; R207-E216 IonicContact CZ-OE2 3.19Å; R207-E216 IonicContact NE-OE2 3.51Å; R207-E216 VanDerWaalsContact NH1-CD 3.27Å; R207-E216 IonicContact NH1-OE1 3Å; R207-E216 PolarHBondContact NH1-OE1 2.74Å; R207-E216 IonicContact NH1-OE2 3.9Å; R207-E216 PolarHBondContact NH1-OE2 3.21Å; R207-E216 IonicContact NH2-OE1 2.72Å; R207-E216 IonicContact NH2-OE2 2.66Å; R207-E216 PolarHBondContact NH2-OE2 2.93Å; R207-W225 VanDerWaalsContact CA-CE3 3.49Å; R207-W225 VanDerWaalsContact CA-CZ3 3.47Å; R207-W225 HydrophobicContact CB-CD2 3.92Å; R207-W225 HydrophobicContact CB-CE3 3.61Å; R207-W225 HydrophobicContact CB-CH2 3.92Å; R207-W225 HydrophobicContact CB-CZ2 4.2Å; R207-W225 HydrophobicContact CB-CZ3 3.62Å; R207-W225 HydrophobicContact CG-CD2 3.96Å; R207-W225 HydrophobicContact CG-CE3 4.04Å; R207-W225 HydrophobicContact CG-CG 4.31Å
208	V	86.7	Confident	72.6	Confident	6 Å²	6	72.9 Å²	72.9	4%	0.036	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.2	168.4	174.3	0	0	0	0	108.4	T78 C89 V91 V206 E216 F217 A219	T78-V208 HydrophobicContact CG2-CG1 4.43Å; C89-V208 HydrophobicContact CB-CG1 3.56Å; V91-V208 HydrophobicContact CG1-CG2 4.47Å; V91-V208 HydrophobicContact CG2-CG2 4.44Å; V206-V208 PolarHBondContact O-N 3.46Å; V208-E216 WeakPolarHBondContact O-CA 3.49Å; V208-F217 HydrophobicContact CB-CD1 4.48Å; V208-F217 HydrophobicContact CB-CE1 4.06Å; V208-F217 HydrophobicContact CB-CE2 4.23Å; V208-F217 HydrophobicContact CB-CZ 3.93Å; V208-F217 HydrophobicContact CG1-CE1 3.68Å; V208-F217 HydrophobicContact CG1-CE2 4.31Å; V208-F217 HydrophobicContact CG1-CZ 3.57Å; V208-F217 PolarHBondContact N-O 3.25Å; V208-F217 PolarHBondContact O-N 3.09Å; V208-A219 HydrophobicContact CB-CB 4.43Å; V208-A219 HydrophobicContact CG2-CB 3.65Å
209	V	90.6	Very high	75	Confident	71 Å²	71	65 Å²	65	43%	0.43	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.5	175.8	-174.2	0	0	0	0	107.7	K211 E216	V209-K211 PolarHBondContact O-N 2.73Å; V209-E216 HydrophobicContact CG1-CG 4.38Å; V209-E216 HydrophobicContact CG2-CG 4.04Å
210	C	90.4	Very high	76.9	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.007	33%	0.329	C	S	.	.			trans	-73.4	119.7	-178.2	178.3	0	0	0	0	111.8	C80 R212 C213 S214 H215 F217	C80-C210 HydrophobicContact CB-CB 4.11Å; C80-C210 WeakPolarHBondContact SG-CB 3.49Å; C80-C210 VanDerWaalsContact SG-SG 3.61Å; C210-R212 PolarHBondContact O-N 3.42Å; C210-R212 VanDerWaalsContact O-N 3.1Å; C210-R212 PolarHBondContact SG-N 2.94Å; C210-R212 VanDerWaalsContact SG-N 3.38Å; C210-C213 PolarHBondContact O-N 2.82Å; C210-S214 VanDerWaalsContact O-CA 3.26Å; C210-S214 WeakPolarHBondContact O-CA 3.33Å; C210-S214 PolarHBondContact O-N 2.83Å; C210-H215 HydrophobicContact CB-CB 4.47Å; C210-H215 PolarHBondContact N-O 3.34Å; C210-F217 HydrophobicContact CB-CE1 4.47Å
211	K	90.6	Very high	78.7	Confident	191 Å²	191	61 Å²	61	83%	0.83	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.5	176.8	-67.8	-178	177.6	174.9	0	114.5	V209	V209-K211 PolarHBondContact O-N 2.73Å
212	R	88.3	Confident	80.2	Confident	151 Å²	151	57.8 Å²	57.8	57%	0.57	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-30.7	-178.6	-166.9	-178	-170.4	-179.1	11.9	114.3	C85 A87 C210	C85-R212 PolarHBondContact O-NH1 3.47Å; A87-R212 HydrophobicContact CB-CB 3.75Å; A87-R212 HydrophobicContact CB-CG 4.44Å; C210-R212 PolarHBondContact O-N 3.42Å; C210-R212 VanDerWaalsContact O-N 3.1Å; C210-R212 PolarHBondContact SG-N 2.94Å; C210-R212 VanDerWaalsContact SG-N 3.38Å
213	C	89.3	Confident	81.5	Confident	56 Å²	56	58.9 Å²	58.9	38%	0.378	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.7	7.7	-174.5	68.2	0	0	0	0	114.5	C80 C85 C210 H215	C80-C213 VanDerWaalsContact SG-SG 3.65Å; C85-C213 HydrophobicContact CB-CB 4.5Å; C85-C213 PolarHBondContact SG-SG 3.39Å; C210-C213 PolarHBondContact O-N 2.82Å; C213-H215 PolarHBondContact O-N 3.47Å; C213-H215 VanDerWaalsContact SG-CB 3.51Å
214	S	89.8	Confident	82.5	Confident	94 Å²	94	60.4 Å²	60.4	66%	0.657	29%	0.292	S	S	*	.			trans	56.8	12.5	-177.9	-53.8	0	0	0	0	115.7	C210 E216	C210-S214 VanDerWaalsContact O-CA 3.26Å; C210-S214 WeakPolarHBondContact O-CA 3.33Å; C210-S214 PolarHBondContact O-N 2.83Å; S214-E216 PolarHBondContact O-N 3.22Å
215	H	86.9	Confident	83.3	Confident	49 Å²	49	61.7 Å²	61.7	23%	0.227	29%	0.293	C	S	.	.			trans	-67.9	124.7	179.5	-170.1	84.5	0	0	0	111	A82 C210 C213	A82-H215 HydrophobicContact CB-CB 3.86Å; C210-H215 HydrophobicContact CB-CB 4.47Å; C210-H215 PolarHBondContact N-O 3.34Å; C213-H215 PolarHBondContact O-N 3.47Å; C213-H215 VanDerWaalsContact SG-CB 3.51Å
216	E	88.1	Confident	83.4	Confident	74 Å²	74	62.9 Å²	62.9	35%	0.346	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.4	175.3	-51.2	-158	134.3	0	0	110.9	R207 V208 V209 S214 W225	R207-E216 IonicContact CZ-OE1 2.69Å; R207-E216 IonicContact CZ-OE2 3.19Å; R207-E216 IonicContact NE-OE2 3.51Å; R207-E216 VanDerWaalsContact NH1-CD 3.27Å; R207-E216 IonicContact NH1-OE1 3Å; R207-E216 PolarHBondContact NH1-OE1 2.74Å; R207-E216 IonicContact NH1-OE2 3.9Å; R207-E216 PolarHBondContact NH1-OE2 3.21Å; R207-E216 IonicContact NH2-OE1 2.72Å; R207-E216 IonicContact NH2-OE2 2.66Å; R207-E216 PolarHBondContact NH2-OE2 2.93Å; V208-E216 WeakPolarHBondContact O-CA 3.49Å; V209-E216 HydrophobicContact CG1-CG 4.38Å; V209-E216 HydrophobicContact CG2-CG 4.04Å; S214-E216 PolarHBondContact O-N 3.22Å; E216-W225 HydrophobicContact CB-CB 3.84Å; E216-W225 PolarHBondContact O-N 3.49Å
217	F	86.8	Confident	82.8	Confident	0 Å²	0	69 Å²	69	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	168.6	-179.5	65.6	-79.1	0	0	0	111.9	T78 C80 P81 C89 V208 C210 A219 L223	T78-F217 HydrophobicContact CG2-CE2 3.72Å; T78-F217 HydrophobicContact CG2-CZ 3.75Å; C80-F217 HydrophobicContact CB-CE1 4.39Å; P81-F217 VanDerWaalsContact CD-CD2 3.49Å; P81-F217 VanDerWaalsContact CD-CG 3.42Å; P81-F217 HydrophobicContact CG-CB 3.64Å; P81-F217 HydrophobicContact CG-CD1 4.11Å; P81-F217 HydrophobicContact CG-CD2 3.76Å; P81-F217 HydrophobicContact CG-CE2 4.39Å; P81-F217 HydrophobicContact CG-CG 3.58Å; C89-F217 HydrophobicContact CB-CZ 4.08Å; V208-F217 HydrophobicContact CB-CD1 4.48Å; V208-F217 HydrophobicContact CB-CE1 4.06Å; V208-F217 HydrophobicContact CB-CE2 4.23Å; V208-F217 HydrophobicContact CB-CZ 3.93Å; V208-F217 HydrophobicContact CG1-CE1 3.68Å; V208-F217 HydrophobicContact CG1-CE2 4.31Å; V208-F217 HydrophobicContact CG1-CZ 3.57Å; V208-F217 PolarHBondContact N-O 3.25Å; V208-F217 PolarHBondContact O-N 3.09Å; C210-F217 HydrophobicContact CB-CE1 4.47Å; F217-A219 HydrophobicContact CE2-CB 4.5Å; F217-L223 VanDerWaalsContact CA-O 3.3Å; F217-L223 WeakPolarHBondContact CA-O 3.45Å; F217-L223 WeakPolarHBondContact CB-O 3.24Å
218	C	83.4	Confident	81.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117	172.4	174.1	0	0	0	0	110.5	A205 V206 R220 C221 H222 L223 W225 C234	A205-C218 VanDerWaalsContact CA-SG 3.58Å; A205-C218 VanDerWaalsContact CB-SG 3.54Å; V206-C218 PolarHBondContact N-SG 2.95Å; V206-C218 VanDerWaalsContact N-SG 3.43Å; V206-C218 CarbonylContact O-C 3.56Å; V206-C218 VanDerWaalsContact O-CA 3.25Å; V206-C218 WeakPolarHBondContact O-CA 3.4Å; C218-R220 PolarHBondContact O-N 2.97Å; C218-C221 VanDerWaalsContact CB-SG 3.53Å; C218-C221 PolarHBondContact O-N 2.83Å; C218-C221 VanDerWaalsContact SG-SG 3.61Å; C218-H222 WeakPolarHBondContact O-CA 3.49Å; C218-H222 PolarHBondContact O-N 3.45Å; C218-L223 PolarHBondContact N-O 2.95Å; C218-W225 HydrophobicContact CB-CE3 4.21Å; C218-W225 HydrophobicContact CB-CZ3 4.39Å; C218-C234 VanDerWaalsContact SG-SG 3.65Å
219	A	82.1	Confident	79.6	Confident	15 Å²	15	69.7 Å²	69.7	12%	0.124	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	8.5	-179.7	0	0	0	0	0	115.5	T78 V91 V206 V208 F217	T78-A219 HydrophobicContact CG2-CB 4.01Å; V91-A219 HydrophobicContact CG1-CB 3.95Å; V91-A219 HydrophobicContact CG2-CB 3.79Å; V206-A219 HydrophobicContact CB-CB 4.25Å; V206-A219 PolarHBondContact O-N 3.17Å; V208-A219 HydrophobicContact CB-CB 4.43Å; V208-A219 HydrophobicContact CG2-CB 3.65Å; F217-A219 HydrophobicContact CE2-CB 4.5Å
220	R	75.9	Confident	77.6	Confident	103 Å²	103	68.1 Å²	68.1	39%	0.389	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-29.9	175.5	-176.8	62.7	67.5	-154.5	-4	113.5	C218	C218-R220 PolarHBondContact O-N 2.97Å
221	C	73	Confident	75.5	Confident	10 Å²	10	69.2 Å²	69.2	7%	0.068	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-6.9	176.8	65.2	0	0	0	0	113.8	C218 L223 H226 C234	C218-C221 VanDerWaalsContact CB-SG 3.53Å; C218-C221 PolarHBondContact O-N 2.83Å; C218-C221 VanDerWaalsContact SG-SG 3.61Å; C221-L223 HydrophobicContact CB-CG 4.49Å; C221-L223 PolarHBondContact O-N 2.84Å; C221-H226 PolarHBondContact SG-NE2 2.79Å; C221-C234 HydrophobicContact CB-CB 3.94Å
222	H	76.7	Confident	73.8	Confident	48 Å²	48	62.3 Å²	62.3	22%	0.222	32%	0.321	C	S	.	.			trans	57.6	6.5	-179.9	-56.8	-107.4	0	0	0	116.2	T78 P81 C218 V353	T78-H222 PolarHBondContact OG1-CE1 2.8Å; T78-H222 PolarHBondContact OG1-ND1 3.25Å; P81-H222 HydrophobicContact CB-CB 4.26Å; P81-H222 WeakPolarHBondContact CB-O 3.29Å; P81-H222 HydrophobicContact CG-CB 4.49Å; P81-H222 WeakPolarHBondContact CG-O 3.48Å; C218-H222 WeakPolarHBondContact O-CA 3.49Å; C218-H222 PolarHBondContact O-N 3.45Å; H222-V353 HydrophobicContact CB-CB 3.49Å; H222-V353 VanDerWaalsContact CB-CB 3.49Å; H222-V353 HydrophobicContact CB-CG1 3.91Å; H222-V353 HydrophobicContact CB-CG2 3.67Å
223	L	78.4	Confident	72.2	Confident	69 Å²	69	57 Å²	57	36%	0.361	31%	0.305	S	S	.	.	S	Bend	trans	-66.4	158.4	167.2	-59.7	174.4	0	0	0	110.5	F217 C218 C221 E236	F217-L223 VanDerWaalsContact CA-O 3.3Å; F217-L223 WeakPolarHBondContact CA-O 3.45Å; F217-L223 WeakPolarHBondContact CB-O 3.24Å; C218-L223 PolarHBondContact N-O 2.95Å; C221-L223 HydrophobicContact CB-CG 4.49Å; C221-L223 PolarHBondContact O-N 2.84Å; L223-E236 HydrophobicContact CD1-CB 3.96Å; L223-E236 WeakPolarHBondContact CD1-OE2 3.18Å
224	K	80.4	Confident	70.7	Confident	163 Å²	163	54.9 Å²	54.9	71%	0.709	29%	0.291	S	S	*	.	B	Isolated β-bridge	trans	-45.1	143	165.9	-72.2	-175.7	-176.7	-177.9	0	109.7	H226	K224-H226 PolarHBondContact O-N 3.36Å
225	W	81.4	Confident	68.8	Low	63 Å²	63	53.6 Å²	53.6	24%	0.239	28%	0.275	C	S	.	.			trans	-54.5	118.9	-172	171.3	-101.9	0	0	0	112	A205 R207 E216 C218	A205-W225 HydrophobicContact CB-CH2 4.35Å; A205-W225 HydrophobicContact CB-CZ3 4.14Å; R207-W225 VanDerWaalsContact CA-CE3 3.49Å; R207-W225 VanDerWaalsContact CA-CZ3 3.47Å; R207-W225 HydrophobicContact CB-CD2 3.92Å; R207-W225 HydrophobicContact CB-CE3 3.61Å; R207-W225 HydrophobicContact CB-CH2 3.92Å; R207-W225 HydrophobicContact CB-CZ2 4.2Å; R207-W225 HydrophobicContact CB-CZ3 3.62Å; R207-W225 HydrophobicContact CG-CD2 3.96Å; R207-W225 HydrophobicContact CG-CE3 4.04Å; R207-W225 HydrophobicContact CG-CG 4.31Å; E216-W225 HydrophobicContact CB-CB 3.84Å; E216-W225 PolarHBondContact O-N 3.49Å; C218-W225 HydrophobicContact CB-CE3 4.21Å; C218-W225 HydrophobicContact CB-CZ3 4.39Å
226	H	71.3	Confident	67.1	Low	32 Å²	32	56.7 Å²	56.7	15%	0.148	29%	0.289	C	S	.	.			trans	-112.2	137.3	177.9	67.3	76.9	0	0	0	109.9	C221 K224 G228	C221-H226 PolarHBondContact SG-NE2 2.79Å; K224-H226 PolarHBondContact O-N 3.36Å; H226-G228 PolarHBondContact O-N 3.14Å
227	I	66.3	Low	64.8	Low	139 Å²	139	59.3 Å²	59.3	71%	0.713	30%	0.297	S	S	*	.			trans	-80.5	102.5	164.7	-58.1	176.1	0	0	0	106.1	V229	I227-V229 PolarHBondContact O-N 3.26Å
228	G	54.2	Low	62.7	Low	11 Å²	11	62.3 Å²	62.3	11%	0.113	32%	0.318	C	S	.	.			trans	-56.7	134.2	-179.1	0	0	0	0	0	111.8	H226 G230	H226-G228 PolarHBondContact O-N 3.14Å; G228-G230 PolarHBondContact O-N 3.36Å
229	V	48.3	Very low	60.7	Low	124 Å²	124	69.4 Å²	69.4	75%	0.752	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	66.5	-169.3	-161.7	0	0	0	0	111.1	I227	I227-V229 PolarHBondContact O-N 3.26Å
230	G	48.5	Very low	58.6	Low	37 Å²	37	73.3 Å²	73.3	38%	0.381	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	166.7	-166.1	0	0	0	0	0	113	G228 Y232 V233	G228-G230 PolarHBondContact O-N 3.36Å; G230-Y232 PolarHBondContact O-N 2.98Å; G230-V233 PolarHBondContact O-N 3.31Å
231	P	45.5	Very low	56.7	Low	25 Å²	25	75.7 Å²	75.7	16%	0.162	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn		-54.8	76.6	-96.8	38.3	-36.9	0	0	0	112.6	L114 F117 V233	L114-P231 HydrophobicContact CD1-CB 4.36Å; L114-P231 HydrophobicContact CD1-CG 3.68Å; L114-P231 HydrophobicContact CG-CG 4.4Å; F117-P231 HydrophobicContact CD1-CB 3.9Å; F117-P231 HydrophobicContact CE1-CB 4.16Å; P231-V233 HydrophobicContact CG-CG2 4.09Å; P231-V233 PolarHBondContact O-N 2.88Å
232	Y	54.4	Low	55	Low	45 Å²	45	84.1 Å²	84.1	18%	0.176	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	12	174.4	-51.2	-90	0	0	0	116.2	T118 Y121 P204 A205 G230	T118-Y232 HydrophobicContact CG2-CE2 4.15Å; Y121-Y232 HydrophobicContact CD1-CD1 4.46Å; Y121-Y232 AromaticContact CD1-CD2 3.47Å; Y121-Y232 HydrophobicContact CD1-CD2 3.47Å; Y121-Y232 VanDerWaalsContact CD1-CD2 3.47Å; Y121-Y232 HydrophobicContact CD1-CE1 4.35Å; Y121-Y232 AromaticContact CD1-CE2 3.36Å; Y121-Y232 HydrophobicContact CD1-CE2 3.36Å; Y121-Y232 HydrophobicContact CD1-CG 4.06Å; Y121-Y232 AromaticContact CD1-CZ 3.83Å; Y121-Y232 HydrophobicContact CE1-CD1 4.13Å; Y121-Y232 AromaticContact CE1-CD2 3.73Å; Y121-Y232 HydrophobicContact CE1-CD2 3.73Å; Y121-Y232 HydrophobicContact CE1-CE1 4.32Å; Y121-Y232 AromaticContact CE1-CE2 3.99Å; Y121-Y232 HydrophobicContact CE1-CE2 3.99Å; Y121-Y232 AromaticContact CE1-CG 3.83Å; Y121-Y232 HydrophobicContact CE1-CG 3.83Å; Y121-Y232 HydrophobicContact CG-CD2 4.38Å; Y121-Y232 HydrophobicContact CG-CE2 4.29Å; P204-Y232 CarbonylContact C-O 3.47Å; P204-Y232 WeakPolarHBondContact CA-O 3.47Å; A205-Y232 WeakPolarHBondContact CB-O 3.36Å; A205-Y232 PolarHBondContact N-O 3.39Å; G230-Y232 PolarHBondContact O-N 2.98Å
233	V	55.5	Low	52.9	Low	39 Å²	39	90.8 Å²	90.8	24%	0.236	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-74	147	-174.4	-170.6	0	0	0	0	111.4	G230 P231 E235	G230-V233 PolarHBondContact O-N 3.31Å; P231-V233 HydrophobicContact CG-CG2 4.09Å; P231-V233 PolarHBondContact O-N 2.88Å; V233-E235 VanDerWaalsContact C-N 3.28Å; V233-E235 PolarHBondContact O-N 3.35Å
234	C	58.2	Low	50.6	Low	13 Å²	13	91.4 Å²	91.4	9%	0.088	47%	0.471	C	S	.	.			trans	-70.5	79.8	169.8	-67.5	0	0	0	0	111.4	C218 C221 E236	C218-C234 VanDerWaalsContact SG-SG 3.65Å; C221-C234 HydrophobicContact CB-CB 3.94Å; C234-E236 PolarHBondContact O-N 3.36Å
235	E	49.7	Very low	48.3	Very low	67 Å²	67	90.3 Å²	90.3	31%	0.313	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-33.3	-167.8	-141.6	-162.1	147.6	0	0	114.1	V233 Y237 S238 R239	V233-E235 VanDerWaalsContact C-N 3.28Å; V233-E235 PolarHBondContact O-N 3.35Å; E235-Y237 VanDerWaalsContact C-N 3.33Å; E235-Y237 PolarHBondContact O-N 3.03Å; E235-S238 WeakPolarHBondContact O-CB 3.38Å; E235-S238 PolarHBondContact O-N 2.94Å; E235-R239 VanDerWaalsContact CD-CZ 3.48Å; E235-R239 PolarHBondContact O-N 3.13Å; E235-R239 IonicContact OE1-CZ 3.49Å; E235-R239 IonicContact OE1-NE 3.69Å; E235-R239 PolarHBondContact OE1-NE 3.35Å; E235-R239 IonicContact OE1-NH2 2.87Å; E235-R239 PolarHBondContact OE1-NH2 3.11Å; E235-R239 IonicContact OE2-CZ 3.8Å; E235-R239 IonicContact OE2-NE 2.67Å; E235-R239 IonicContact OE2-NH2 2.89Å; E235-R239 PolarHBondContact OE2-NH2 3.07Å
236	E	50.3	Low	46	Very low	114 Å²	114	95.4 Å²	95.4	53%	0.533	50%	0.497	S	S	.	.	H	α-helix	trans	-69.7	-28.1	-174.4	-71.2	173.8	118.6	0	0	113.3	L223 C234 S238 R239	L223-E236 HydrophobicContact CD1-CB 3.96Å; L223-E236 WeakPolarHBondContact CD1-OE2 3.18Å; C234-E236 PolarHBondContact O-N 3.36Å; E236-S238 PolarHBondContact O-N 3.43Å; E236-R239 PolarHBondContact O-N 3.39Å
237	Y	40.4	Very low	44	Very low	128 Å²	128	101.3 Å²	101.3	50%	0.502	53%	0.53	S	S	.	.	H	α-helix	trans	-70.4	-15.9	171.5	-142.8	-85.1	0	0	0	112.7	E235	E235-Y237 VanDerWaalsContact C-N 3.33Å; E235-Y237 PolarHBondContact O-N 3.03Å
238	S	42.2	Very low	42.5	Very low	64 Å²	64	102.4 Å²	102.4	45%	0.448	54%	0.536	S	S	.	.	H	α-helix	trans	-92.5	-24.9	179.8	-52.9	0	0	0	0	112.9	E235 E236	E235-S238 WeakPolarHBondContact O-CB 3.38Å; E235-S238 PolarHBondContact O-N 2.94Å; E236-S238 PolarHBondContact O-N 3.43Å
239	R	41.8	Very low	41.1	Very low	149 Å²	149	107.6 Å²	107.6	56%	0.562	57%	0.571	S	S	*	*	H	α-helix	trans	-80.8	-25.8	-171.8	-71.8	175.3	177.1	178.1	-4	113.7	E235 E236 F241	E235-R239 VanDerWaalsContact CD-CZ 3.48Å; E235-R239 PolarHBondContact O-N 3.13Å; E235-R239 IonicContact OE1-CZ 3.49Å; E235-R239 IonicContact OE1-NE 3.69Å; E235-R239 PolarHBondContact OE1-NE 3.35Å; E235-R239 IonicContact OE1-NH2 2.87Å; E235-R239 PolarHBondContact OE1-NH2 3.11Å; E235-R239 IonicContact OE2-CZ 3.8Å; E235-R239 IonicContact OE2-NE 2.67Å; E235-R239 IonicContact OE2-NH2 2.89Å; E235-R239 PolarHBondContact OE2-NH2 3.07Å; E236-R239 PolarHBondContact O-N 3.39Å; R239-F241 VanDerWaalsContact C-N 3.3Å; R239-F241 PolarHBondContact O-N 2.85Å
240	S	38.6	Very low	40.2	Very low	96 Å²	96	107.3 Å²	107.3	67%	0.671	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-21.9	174.9	50.2	0	0	0	0	113.9
241	F	36.6	Very low	39.5	Very low	153 Å²	153	113.8 Å²	113.8	67%	0.671	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	0.1	-168.7	-126.6	-90.5	0	0	0	115.5	R239	R239-F241 VanDerWaalsContact C-N 3.3Å; R239-F241 PolarHBondContact O-N 2.85Å
242	F	36.7	Very low	38.7	Very low	187 Å²	187	122.2 Å²	122.2	82%	0.82	62%	0.624	S	S	*	*	S	Bend	trans	-137.2	6.4	-172.1	-89.6	-74.5	0	0	0	116.5
243	K	32.4	Very low	37.3	Very low	189 Å²	189	126.5 Å²	126.5	82%	0.822	66%	0.655	S	S	*	*			trans	-124.4	87.3	172.8	-84.1	-167.4	172.4	-175.6	0	112.8	N245	K243-N245 PolarHBondContact O-N 3.27Å
244	G	30.9	Very low	36.1	Very low	81 Å²	81	129.7 Å²	129.7	84%	0.835	68%	0.679	S	S	*	*			trans	-60.9	102.6	158.1	0	0	0	0	0	111.3
245	N	31.4	Very low	35	Very low	141 Å²	141	136.3 Å²	136.3	75%	0.754	71%	0.709	S	S	*	*	S	Bend	trans	78.4	152.2	151.5	-145.9	-23.6	0	0	0	118.5	K243	K243-N245 PolarHBondContact O-N 3.27Å
246	K	32.9	Very low	34.4	Very low	169 Å²	169	140.6 Å²	140.6	74%	0.735	73%	0.729	S	S	*	*			trans	75.3	96.2	166.5	-51.8	175.1	-170.3	171.1	0	117.9
247	N	29.2	Very low	33.4	Very low	156 Å²	156	142.3 Å²	142.3	83%	0.834	74%	0.742	S	S	*	*			trans	69.5	97.2	147	-50	-17.8	0	0	0	118.9
248	L	34.7	Very low	33.1	Very low	162 Å²	162	141.8 Å²	141.8	85%	0.848	75%	0.754	S	S	*	*			trans	-153.8	60	148	-154.1	66.5	0	0	0	114.6
249	S	25.6	Very low	32.6	Very low	121 Å²	121	147.1 Å²	147.1	85%	0.846	78%	0.777	S	S	*	*			trans	-98.2	91.6	158.9	-66	0	0	0	0	109.5
250	T	29.8	Very low	32	Very low	117 Å²	117	143 Å²	143	72%	0.718	78%	0.78	S	S	*	*			trans	176.6	156.2	158.6	16.7	0	0	0	0	109.4
251	Q	32.3	Very low	31.7	Very low	174 Å²	174	146 Å²	146	81%	0.813	79%	0.787	S	S	*	*			trans	68.3	126.5	-164.4	-46.7	175	13.2	0	0	110.9
252	F	28.6	Very low	31.5	Very low	201 Å²	201	146.4 Å²	146.4	88%	0.882	80%	0.796	S	S	*	*			cis	-115.2	142.8	17.2	-77.6	-109.9	0	0	0	113.6
253	T	26	Very low	31.3	Very low	136 Å²	136	145.5 Å²	145.5	83%	0.834	79%	0.794	S	S	*	*			trans	-140.5	106.4	165.2	20.8	0	0	0	0	110.8
254	S	30	Very low	31.4	Very low	105 Å²	105	147 Å²	147	73%	0.734	80%	0.8	S	S	*	*			trans	-173.8	146.2	168.3	-86.4	0	0	0	0	106.5
255	Q	35.6	Very low	31.4	Very low	152 Å²	152	147.5 Å²	147.5	71%	0.71	79%	0.791	S	S	*	*			cis	-159.9	165.4	12	-130.8	166.5	57.7	0	0	110.5
256	Q	36	Very low	31.6	Very low	157 Å²	157	147.8 Å²	147.8	73%	0.734	80%	0.798	S	S	*	*			trans	68.4	147.2	165.1	-56.6	156.4	37	0	0	116.7
257	N	30.4	Very low	31.5	Very low	151 Å²	151	146.2 Å²	146.2	81%	0.807	80%	0.797	S	S	*	*			cis	-158.6	147.1	-28.1	-114.3	1.6	0	0	0	109.4
258	P	34.2	Very low	31.6	Very low	116 Å²	116	143.1 Å²	143.1	75%	0.753	79%	0.794	S	S	*	*			trans	-112.5	158.7	-179.3	39.8	-32.4	0	0	0	114.9
259	L	30.3	Very low	31.5	Very low	177 Å²	177	140 Å²	140	93%	0.927	79%	0.786	S	S	*	*			trans	-170.8	146	156.5	-112	168.2	0	0	0	112.9
260	G	30.8	Very low	31.9	Very low	62 Å²	62	140.9 Å²	140.9	64%	0.639	78%	0.781	S	S	*	*			trans	73.4	108.8	173.6	0	0	0	0	0	115.1
261	I	32	Very low	32.2	Very low	158 Å²	158	142.8 Å²	142.8	81%	0.81	78%	0.781	S	S	*	*			cis	70.9	100	31.8	-46.8	175.6	0	0	0	114.1
262	L	32.3	Very low	32.4	Very low	163 Å²	163	141.9 Å²	141.9	85%	0.853	78%	0.78	S	S	*	*				-163.1	153	100.4	-170.7	57	0	0	0	111.3
263	E	31	Very low	32.5	Very low	168 Å²	168	139.3 Å²	139.3	79%	0.785	78%	0.776	S	S	*	*			trans	-98.7	159.3	-176.5	-56.7	164.1	109.7	0	0	112.6
264	K	34.8	Very low	33.1	Very low	219 Å²	219	137.7 Å²	137.7	95%	0.952	77%	0.767	S	S	*	*				-164.7	151.4	124.4	-107.1	159.7	-171.8	177.7	0	112.9
265	S	31.4	Very low	33.3	Very low	93 Å²	93	141 Å²	141	65%	0.65	77%	0.771	S	S	*	*			trans	-122.7	151.4	-171.9	56.8	0	0	0	0	112.1
266	V	35.7	Very low	33.4	Very low	147 Å²	147	138.5 Å²	138.5	89%	0.891	77%	0.768	S	S	*	*			trans	-132.2	143.9	153.9	-176.2	0	0	0	0	107.8
267	N	30.3	Very low	33.4	Very low	135 Å²	135	138.4 Å²	138.4	72%	0.722	77%	0.772	S	S	*	*			trans	-117.9	168.6	-174.9	-63.2	-52.4	0	0	0	111
268	A	31.5	Very low	33.9	Very low	92 Å²	92	135.6 Å²	135.6	76%	0.76	77%	0.765	S	S	*	*			trans	69.3	152.5	148.8	0	0	0	0	0	117.2
269	S	33.3	Very low	34.1	Very low	97 Å²	97	137.8 Å²	137.8	68%	0.678	77%	0.77	S	S	*	*			cis	-161.1	-157.8	-15.8	-98.8	0	0	0	0	107.6
270	D	34.7	Very low	34.2	Very low	138 Å²	138	134.9 Å²	134.9	74%	0.738	76%	0.762	S	S	*	*			trans	81.7	139.8	154.4	-54.5	-10.6	0	0	0	116.4
271	H	34.6	Very low	34.4	Very low	158 Å²	158	139.5 Å²	139.5	73%	0.731	77%	0.77	S	S	*	*			cis	-160.1	167.7	-12.9	-130.4	-67.9	0	0	0	111.3
272	I	37.5	Very low	34.1	Very low	155 Å²	155	139.5 Å²	139.5	80%	0.795	77%	0.77	S	S	*	*			trans	84.1	144.1	153.6	-66.8	157	0	0	0	119.3
273	N	29.6	Very low	34	Very low	147 Å²	147	139.9 Å²	139.9	79%	0.786	77%	0.765	S	S	*	*			trans	-155.3	-171.1	-173.9	-126.8	-25.1	0	0	0	104.5
274	P	39.1	Very low	34.1	Very low	101 Å²	101	139.2 Å²	139.2	66%	0.656	76%	0.762	S	S	*	*			cis	-127.7	179.2	-49.9	40.5	-26.6	0	0	0	112
275	H	33.3	Very low	33.7	Very low	176 Å²	176	137.2 Å²	137.2	82%	0.815	75%	0.753	S	S	*	*			trans	-168.9	152.2	132.9	-126.4	-108	0	0	0	112.8
276	P	38	Very low	33.9	Very low	99 Å²	99	141.5 Å²	141.5	64%	0.643	76%	0.763	S	S	*	*			trans	-107.1	174.2	173	40.7	-33.9	0	0	0	113
277	D	36.3	Very low	33.7	Very low	154 Å²	154	141.9 Å²	141.9	82%	0.824	76%	0.755	S	S	*	*			trans	-167.8	160	144.6	-106.9	-34.7	0	0	0	116.2
278	S	40.8	Very low	33.9	Very low	93 Å²	93	140.6 Å²	140.6	65%	0.65	76%	0.756	S	S	*	*			trans	57.3	105.2	159.2	57.8	0	0	0	0	123.3
279	D	38.3	Very low	34.1	Very low	161 Å²	161	145 Å²	145	86%	0.861	76%	0.762	S	S	*	*				87.3	147.2	118.7	-60.5	-15.5	0	0	0	125.6
280	P	33	Very low	34.2	Very low	116 Å²	116	145.7 Å²	145.7	75%	0.753	77%	0.766	S	S	*	*			trans	-114.3	153.3	-171	41.2	-29.2	0	0	0	115
281	I	34.4	Very low	34.1	Very low	159 Å²	159	145.1 Å²	145.1	82%	0.815	77%	0.767	S	S	*	*			trans	-130	127.4	169	-59.9	-179.1	0	0	0	110.8	F283	I281-F283 HydrophobicContact CG2-CD2 4.25Å
282	I	27.3	Very low	34.1	Very low	159 Å²	159	143.1 Å²	143.1	82%	0.815	77%	0.766	S	S	*	*			trans	-97.9	132	168.8	-62.4	166	0	0	0	107.2
283	F	29.9	Very low	34.1	Very low	171 Å²	171	143.5 Å²	143.5	75%	0.75	77%	0.765	S	S	*	*			trans	-143	101	163.8	-119.7	-79.6	0	0	0	114.4	I281	I281-F283 HydrophobicContact CG2-CD2 4.25Å
284	E	31.7	Very low	34.4	Very low	153 Å²	153	142.4 Å²	142.4	72%	0.715	76%	0.759	S	S	*	*			trans	47.5	164.1	143.7	-58.4	-148.6	97.2	0	0	123.9
285	K	26.8	Very low	34.4	Very low	177 Å²	177	142.5 Å²	142.5	77%	0.77	76%	0.76	S	S	*	*			trans	-145.6	103.1	-167.1	173.3	-160.4	175	-166.8	0	108.5
286	H	36.5	Very low	34.7	Very low	184 Å²	184	142.8 Å²	142.8	85%	0.852	76%	0.761	S	S	*	*			trans	-76.6	139.3	179.7	-81.9	-85.3	0	0	0	113.2
287	Q	30.3	Very low	34.8	Very low	154 Å²	154	144.4 Å²	144.4	72%	0.72	76%	0.763	S	S	*	*			trans	-149.5	141.1	174.2	-178.9	176.1	-3.2	0	0	109.9
288	S	35.9	Very low	34.8	Very low	108 Å²	108	143.9 Å²	143.9	76%	0.755	76%	0.759	S	S	*	*			trans	-139.3	116.6	170.3	-50.1	0	0	0	0	106.3
289	Q	34.5	Very low	34.5	Very low	186 Å²	186	148.8 Å²	148.8	87%	0.869	77%	0.768	S	S	*	*				61.2	134.7	75.4	-64	-168.4	9.6	0	0	112.2
290	S	35.1	Very low	34.4	Very low	110 Å²	110	147 Å²	147	77%	0.769	77%	0.769	S	S	*	*			cis	-137.6	-173.7	14.3	50	0	0	0	0	110.5
291	V	34	Very low	34.5	Very low	127 Å²	127	149.2 Å²	149.2	77%	0.77	77%	0.773	S	S	*	*			cis	-146.6	162.5	29.3	178.2	0	0	0	0	111.6
292	T	33.1	Very low	34.5	Very low	116 Å²	116	146.6 Å²	146.6	71%	0.712	77%	0.767	S	S	*	*			trans	-60.7	173.8	173.2	30.2	0	0	0	0	115.5
293	Q	39	Very low	34.7	Very low	162 Å²	162	144.3 Å²	144.3	76%	0.757	77%	0.765	S	S	*	*			cis	-161.5	-177.3	11	-131	175.5	-42.1	0	0	109.2
294	N	35.1	Very low	34.9	Very low	125 Å²	125	143.2 Å²	143.2	67%	0.668	77%	0.766	S	S	*	*			cis	-155.5	156.2	-7.9	-163.5	66.6	0	0	0	109.6
295	P	39.2	Very low	35	Very low	103 Å²	103	146.2 Å²	146.2	67%	0.669	77%	0.771	S	S	*	*			trans	-126.3	161.3	179.7	40.9	-28.9	0	0	0	116.5
296	E	39.1	Very low	35.4	Very low	181 Å²	181	147.4 Å²	147.4	85%	0.846	78%	0.776	S	S	*	*			trans	-171.8	173.1	139.7	-124.4	-164	169.4	0	0	117.4
297	I	39.7	Very low	35.4	Very low	134 Å²	134	144.2 Å²	144.2	69%	0.687	77%	0.772	S	S	*	*			trans	92.5	114.2	152	-79.2	159.6	0	0	0	122.5
298	I	37.5	Very low	35.8	Very low	143 Å²	143	143.1 Å²	143.1	73%	0.733	78%	0.778	S	S	*	*			trans	59.8	118.6	150.8	-64.2	174.3	0	0	0	118.8
299	K	34.7	Very low	35.6	Very low	195 Å²	195	145.2 Å²	145.2	85%	0.848	78%	0.776	S	S	*	*			cis	85.1	103.5	43.2	-71	-177.1	177.3	175.2	0	116.6
300	S	36.4	Very low	35.6	Very low	124 Å²	124	143.8 Å²	143.8	87%	0.867	77%	0.767	S	S	*	*			trans	-179.5	174.9	139.9	37.2	0	0	0	0	113.5
301	L	33.9	Very low	35.7	Very low	162 Å²	162	146.6 Å²	146.6	85%	0.848	77%	0.773	S	S	*	*			trans	-134.1	-172.5	-160.8	-114.8	70.1	0	0	0	110.5
302	P	35.6	Very low	35.5	Very low	105 Å²	105	150 Å²	150	68%	0.682	78%	0.777	S	S	*	*			cis	-139.8	169.4	-29.3	37.3	-18.8	0	0	0	116.8
303	S	30.1	Very low	35.6	Very low	110 Å²	110	151.8 Å²	151.8	77%	0.769	78%	0.781	S	S	*	*			trans	35.5	130.7	137.9	-166.5	0	0	0	0	123.9
304	L	33.8	Very low	35.3	Very low	148 Å²	148	151.1 Å²	151.1	78%	0.775	78%	0.782	S	S	*	*			trans	-152.2	99.5	151.5	-127.7	141.3	0	0	0	116
305	R	35.2	Very low	35.1	Very low	217 Å²	217	154.7 Å²	154.7	82%	0.819	79%	0.792	S	S	*	*			trans	54.8	123.7	145.8	-52	178.9	-159.9	-164.4	4.3	122.6
306	K	35.8	Very low	34.7	Very low	201 Å²	201	158.2 Å²	158.2	87%	0.874	80%	0.803	S	S	*	*			trans	-92.4	162	136.4	-56.2	180	178.7	178.2	0	108
307	P	35.5	Very low	34.1	Very low	118 Å²	118	153.8 Å²	153.8	77%	0.766	79%	0.793	S	S	*	*				-154.9	-148.9	74.3	45.5	-23.8	0	0	0	111.5
308	P	38.1	Very low	33.6	Very low	130 Å²	130	156 Å²	156	84%	0.844	81%	0.805	S	S	*	*			cis	-123.9	-147.8	-20.2	39.8	-20.8	0	0	0	113.3
309	E	32.8	Very low	33.2	Very low	153 Å²	153	159.7 Å²	159.7	72%	0.715	81%	0.81	S	S	*	*			trans	-126.1	166.9	-161.3	-166.8	-145.2	137.8	0	0	112.8
310	K	33.3	Very low	33	Very low	156 Å²	156	162 Å²	162	68%	0.678	81%	0.813	S	S	*	*			trans	93	119.1	158.5	-56.9	169.7	-169.7	171.6	0	119.3
311	N	37	Very low	32.8	Very low	168 Å²	168	162 Å²	162	90%	0.898	81%	0.81	S	S	*	*				-160.2	158.9	103.1	-98.3	-29.8	0	0	0	112.5
312	K	30.3	Very low	32.6	Very low	199 Å²	199	164.2 Å²	164.2	87%	0.865	81%	0.813	S	S	*	*			trans	-113.2	149.5	178.4	-68.3	172.8	179.8	167.2	0	110.3
313	I	34.7	Very low	32.5	Very low	153 Å²	153	171 Å²	171	79%	0.785	83%	0.825	S	S	*	*			trans	165.1	136.1	155	-94	152.5	0	0	0	106.3
314	N	34.6	Very low	32.6	Very low	148 Å²	148	174.8 Å²	174.8	79%	0.791	83%	0.827	S	S	*	*			cis	-141.6	161.1	-8.6	-110.3	-16.2	0	0	0	110.4
315	K	28.8	Very low	32.4	Very low	201 Å²	201	178.4 Å²	178.4	87%	0.874	83%	0.83	S	S	*	*			trans	-99.3	136.9	170.4	-90.1	-179.8	174.7	174	0	110.8
316	I	31.5	Very low	32.3	Very low	176 Å²	176	179.7 Å²	179.7	90%	0.903	84%	0.835	S	S	*	*			trans	-111.4	133.4	152.9	-63.9	179.5	0	0	0	107.1
317	S	26.1	Very low	32	Very low	89 Å²	89	176.7 Å²	176.7	62%	0.622	83%	0.829	S	S	*	*			trans	-119.4	135.5	-174.9	68.2	0	0	0	0	112.2
318	L	30.6	Very low	31.7	Very low	180 Å²	180	180.5 Å²	180.5	94%	0.942	83%	0.83	S	S	*	*			trans	-114	113.9	157.4	-84.8	163.4	0	0	0	109.2
319	R	28.7	Very low	31.3	Very low	221 Å²	221	181.5 Å²	181.5	83%	0.834	83%	0.827	S	S	*	*			trans	-87.2	149.9	175.7	-64.4	177.2	172.6	-168.9	-0.9	110.2
320	R	31.3	Very low	31.4	Very low	243 Å²	243	180.2 Å²	180.2	92%	0.917	82%	0.821	S	S	*	*			trans	154.8	156.6	137	-83.9	159.3	-174.4	-153.6	2.9	109.7
321	P	30.3	Very low	31.2	Very low	123 Å²	123	177.1 Å²	177.1	80%	0.799	82%	0.819	S	S	*	*				-131.9	169.8	-58.7	34.5	-16.7	0	0	0	113.3
322	K	29.7	Very low	31.1	Very low	210 Å²	210	177.2 Å²	177.2	91%	0.913	81%	0.814	S	S	*	*			trans	-82.8	127.1	177.8	-64.7	179.3	177.5	-179.4	0	113.2
323	R	34.7	Very low	31.4	Very low	248 Å²	248	174 Å²	174	94%	0.936	81%	0.811	S	S	*	*			trans	-147.8	120.1	151.8	-81.1	-176.6	170.5	171.5	-4.8	106.5
324	K	31.4	Very low	31.1	Very low	188 Å²	188	170.4 Å²	170.4	82%	0.817	81%	0.812	S	S	*	*			cis	101.7	99.7	30.4	-168.5	-179	-173.9	-177.9	0	112.3
325	R	29.6	Very low	31	Very low	224 Å²	224	171.4 Å²	171.4	85%	0.845	82%	0.815	S	S	*	*			trans	58.2	127.3	164.4	-73.6	-175.2	170.8	-177.8	-3.6	118.9
326	R	33	Very low	30.9	Very low	244 Å²	244	169.5 Å²	169.5	92%	0.921	81%	0.809	S	S	*	*				-158.5	159.5	86.4	-109.6	179	170.6	128.8	-5.4	111.3
327	N	29.5	Very low	30.9	Very low	139 Å²	139	169.3 Å²	169.3	74%	0.743	81%	0.809	S	S	*	*			trans	-88.8	155.4	178.6	-56.6	3.9	0	0	0	109.6
328	Y	29.4	Very low	31.3	Very low	198 Å²	198	169.1 Å²	169.1	78%	0.776	81%	0.808	S	S	*	*			trans	-139.8	102.8	154.1	-155.2	-103.9	0	0	0	108.7	Q330	Y328-Q330 HydrophobicContact CD1-CB 4.45Å; Y328-Q330 HydrophobicContact CE1-CB 4.16Å; Y328-Q330 PolarHBondContact OH-OE1 3.19Å
329	L	30.7	Very low	31.5	Very low	150 Å²	150	166.4 Å²	166.4	79%	0.785	80%	0.804	S	S	*	*			trans	-85.6	129.2	159.9	-89.3	71.6	0	0	0	106.3
330	Q	34.6	Very low	31.9	Very low	126 Å²	126	161.3 Å²	161.3	59%	0.589	80%	0.8	S	S	*	*			trans	-116	100.9	156	-167.8	73.8	36.4	0	0	106.6	Y328	Y328-Q330 HydrophobicContact CD1-CB 4.45Å; Y328-Q330 HydrophobicContact CE1-CB 4.16Å; Y328-Q330 PolarHBondContact OH-OE1 3.19Å
331	S	28.5	Very low	31.9	Very low	92 Å²	92	157.6 Å²	157.6	64%	0.643	80%	0.798	S	S	*	*			trans	-75.5	134.5	172.3	49.7	0	0	0	0	110
332	H	35.8	Very low	32.1	Very low	169 Å²	169	159.6 Å²	159.6	78%	0.782	80%	0.8	S	S	*	*			trans	-127.6	129.8	150.4	-86.7	-81.7	0	0	0	109.1
333	T	36.1	Very low	32.1	Very low	132 Å²	132	154.6 Å²	154.6	81%	0.81	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-78.8	145.9	-175.6	42.3	0	0	0	0	110.9
334	G	29.2	Very low	32	Very low	78 Å²	78	147.6 Å²	147.6	80%	0.804	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-70.7	148.4	174.3	0	0	0	0	0	112
335	I	31.5	Very low	32	Very low	168 Å²	168	145.5 Å²	145.5	86%	0.862	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-102.9	121.5	159.7	-64.2	177.3	0	0	0	106.2
336	H	26.6	Very low	32.4	Very low	162 Å²	162	140.1 Å²	140.1	75%	0.75	76%	0.763	S	S	*	*			trans	-97	113.1	-179.3	176.1	-79.2	0	0	0	109.3
337	L	31.9	Very low	32.6	Very low	171 Å²	171	133.7 Å²	133.7	90%	0.895	75%	0.746	S	S	*	*			trans	-136	139	164.9	-138	72.8	0	0	0	108.8
338	S	33.6	Very low	33.2	Very low	86 Å²	86	132.6 Å²	132.6	60%	0.601	74%	0.744	S	S	*	*			trans	-123.6	161.3	-157.9	50.6	0	0	0	0	113.1
339	S	35.2	Very low	33.4	Very low	122 Å²	122	125.1 Å²	125.1	85%	0.853	72%	0.721	S	S	*	*			trans	76	152.6	174.5	-75.2	0	0	0	0	116.6
340	P	38.4	Very low	33.8	Very low	115 Å²	115	119.6 Å²	119.6	75%	0.747	69%	0.694	S	S	*	*			trans	-130.9	144.6	-134.4	38.6	-22.6	0	0	0	115.3
341	D	30.5	Very low	34	Very low	164 Å²	164	116.3 Å²	116.3	88%	0.877	68%	0.68	S	S	*	*			trans	-154.5	166.7	160.6	-125.4	-39.8	0	0	0	113.6
342	I	34.2	Very low	34.4	Very low	166 Å²	166	112.8 Å²	112.8	85%	0.851	66%	0.656	S	S	*	*			trans	-98.1	108.6	-163.6	-59.7	162.1	0	0	0	111.8
343	S	29.9	Very low	34.6	Very low	104 Å²	104	107.3 Å²	107.3	73%	0.727	64%	0.635	S	S	*	*			trans	-162.3	154.9	161.9	-166.4	0	0	0	0	114.6
344	D	31.5	Very low	34.3	Very low	102 Å²	102	103.2 Å²	103.2	55%	0.545	62%	0.618	S	S	.	*			trans	-45.8	130	-175.7	-58.1	-99.6	0	0	0	117.9	R61	R61-D344 IonicContact NH2-OD1 3.73Å; R61-D344 PolarHBondContact NH2-OD1 3.03Å
345	T	32.4	Very low	35	Very low	144 Å²	144	104.9 Å²	104.9	88%	0.883	60%	0.604	S	S	*	*			trans	-161.9	99.8	147.6	5.2	0	0	0	0	111.7
346	I	38.9	Very low	35.5	Very low	111 Å²	111	97.8 Å²	97.8	57%	0.569	57%	0.568	S	S	*	*			trans	-129.5	129.5	162.4	-65.3	-177.3	0	0	0	108.2
347	D	37	Very low	36.6	Very low	108 Å²	108	96.2 Å²	96.2	58%	0.578	57%	0.573	S	S	*	*			trans	-67.6	137	-170	-171.5	-58.2	0	0	0	113	S349	D347-S349 PolarHBondContact O-N 3.36Å; D347-S349 VanDerWaalsContact OD1-CB 3.23Å; D347-S349 WeakPolarHBondContact OD1-CB 3.43Å; D347-S349 PolarHBondContact OD1-N 2.66Å; D347-S349 PolarHBondContact OD1-OG 3.09Å
348	V	41.3	Very low	38	Very low	116 Å²	116	89.3 Å²	89.3	70%	0.703	54%	0.535	S	S	*	.	S	Bend	trans	-83.2	29	-174.7	-164.5	0	0	0	0	112.6	V350 L351	V348-V350 PolarHBondContact O-N 2.94Å; V348-L351 HydrophobicContact CG1-CD1 4.4Å
349	S	34.1	Very low	39.3	Very low	41 Å²	41	87.5 Å²	87.5	29%	0.287	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	8.8	176.1	-67.5	0	0	0	0	114.9	D347	D347-S349 PolarHBondContact O-N 3.36Å; D347-S349 VanDerWaalsContact OD1-CB 3.23Å; D347-S349 WeakPolarHBondContact OD1-CB 3.43Å; D347-S349 PolarHBondContact OD1-N 2.66Å; D347-S349 PolarHBondContact OD1-OG 3.09Å
350	V	39.5	Very low	40.6	Very low	35 Å²	35	84.7 Å²	84.7	21%	0.212	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-0.2	-164	-176.5	0	0	0	0	115.4	V348 P356 Y358 R366	V348-V350 PolarHBondContact O-N 2.94Å; V350-P356 HydrophobicContact CB-CG 4.47Å; V350-P356 HydrophobicContact CG2-CG 4Å; V350-Y358 HydrophobicContact CG1-CE1 3.83Å; V350-Y358 HydrophobicContact CG2-CE1 4.32Å; V350-R366 PolarHBondContact O-NE 3.26Å
351	L	38.1	Very low	42	Very low	56 Å²	56	85 Å²	85	29%	0.293	50%	0.497	S	S	.	.	S	Bend	trans	-102	-22.2	-163.6	-62	-178.6	0	0	0	117.3	V64 V348	V64-L351 HydrophobicContact CG1-CD1 3.81Å; V348-L351 HydrophobicContact CG1-CD1 4.4Å
352	A	37.5	Very low	43.9	Very low	18 Å²	18	78 Å²	78	15%	0.149	46%	0.459	C	S	.	.	S	Bend	trans	-148.6	73.2	-171	0	0	0	0	0	116.3	F79 P81 G354	F79-A352 HydrophobicContact CB-CB 3.67Å; P81-A352 VanDerWaalsContact CA-O 3.24Å; P81-A352 WeakPolarHBondContact CA-O 3.45Å; P81-A352 VanDerWaalsContact CB-O 3.26Å; P81-A352 WeakPolarHBondContact CB-O 3.39Å; A352-G354 PolarHBondContact O-N 3.3Å
353	V	38.5	Very low	45.9	Very low	55 Å²	55	77.1 Å²	77.1	33%	0.333	45%	0.445	S	S	.	.	S	Bend	trans	54	15	151.4	-146.8	0	0	0	0	118.7	H222	H222-V353 HydrophobicContact CB-CB 3.49Å; H222-V353 VanDerWaalsContact CB-CB 3.49Å; H222-V353 HydrophobicContact CB-CG1 3.91Å; H222-V353 HydrophobicContact CB-CG2 3.67Å
354	G	31.2	Very low	48.2	Very low	45 Å²	45	75.3 Å²	75.3	46%	0.464	43%	0.427	S	S	.	.	S	Bend		-78.8	133.7	123.4	0	0	0	0	0	107.4	A352 P356	A352-G354 PolarHBondContact O-N 3.3Å; G354-P356 VanDerWaalsContact O-CD 3.31Å; G354-P356 WeakPolarHBondContact O-CD 3.48Å
355	F	42.3	Very low	50.5	Low	114 Å²	114	70.5 Å²	70.5	50%	0.5	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-68.7	118.8	160.6	-74.4	-84.8	0	0	0	106.6	Y358 P368 L371 L397	F355-Y358 HydrophobicContact CD1-CE2 4.34Å; F355-P368 HydrophobicContact CE1-CB 4.47Å; F355-P368 HydrophobicContact CZ-CB 4.39Å; F355-L371 HydrophobicContact CE1-CD2 4.42Å; F355-L371 HydrophobicContact CZ-CD2 4.25Å; F355-L397 HydrophobicContact CD1-CD1 4.22Å; F355-L397 HydrophobicContact CE1-CD1 4.36Å
356	P	43.8	Very low	52.5	Low	18 Å²	18	65.5 Å²	65.5	12%	0.117	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-62.4	154.7	164.1	31.3	-36.2	0	0	0	108.5	V350 G354 Y358	V350-P356 HydrophobicContact CB-CG 4.47Å; V350-P356 HydrophobicContact CG2-CG 4Å; G354-P356 VanDerWaalsContact O-CD 3.31Å; G354-P356 WeakPolarHBondContact O-CD 3.48Å; P356-Y358 HydrophobicContact CG-CD1 4.35Å; P356-Y358 HydrophobicContact CG-CD2 4.38Å; P356-Y358 HydrophobicContact CG-CE1 4.16Å; P356-Y358 HydrophobicContact CG-CE2 4.2Å; P356-Y358 HydrophobicContact CG-CG 4.46Å; P356-Y358 PolarHBondContact O-N 3.49Å
357	P	49.5	Very low	54.6	Low	130 Å²	130	60.2 Å²	60.2	84%	0.844	34%	0.339	S	S	*	.			trans	-66.1	88.8	158.3	30.8	-31.7	0	0	0	107.3	S359	P357-S359 PolarHBondContact O-N 3.02Å
358	Y	60.1	Low	56.8	Low	26 Å²	26	56.4 Å²	56.4	10%	0.102	32%	0.32	C	S	.	.			trans	-50.3	131.5	168.1	-68.9	-78.8	0	0	0	107.9	V350 F355 P356 D362 K365 R366 L397	V350-Y358 HydrophobicContact CG1-CE1 3.83Å; V350-Y358 HydrophobicContact CG2-CE1 4.32Å; F355-Y358 HydrophobicContact CD1-CE2 4.34Å; P356-Y358 HydrophobicContact CG-CD1 4.35Å; P356-Y358 HydrophobicContact CG-CD2 4.38Å; P356-Y358 HydrophobicContact CG-CE1 4.16Å; P356-Y358 HydrophobicContact CG-CE2 4.2Å; P356-Y358 HydrophobicContact CG-CG 4.46Å; P356-Y358 PolarHBondContact O-N 3.49Å; Y358-D362 WeakPolarHBondContact CA-OD2 3.33Å; Y358-D362 WeakPolarHBondContact CB-OD2 3.44Å; Y358-K365 HydrophobicContact CD1-CB 4.01Å; Y358-K365 HydrophobicContact CD1-CD 4.16Å; Y358-K365 HydrophobicContact CD1-CG 3.65Å; Y358-K365 HydrophobicContact CD2-CB 4.46Å; Y358-K365 HydrophobicContact CD2-CD 4.4Å; Y358-K365 HydrophobicContact CD2-CG 4.48Å; Y358-K365 HydrophobicContact CE1-CB 3.93Å; Y358-K365 HydrophobicContact CE1-CG 4.06Å; Y358-K365 HydrophobicContact CE2-CB 4.37Å; Y358-K365 HydrophobicContact CG-CB 4.28Å; Y358-K365 HydrophobicContact CG-CD 3.87Å; Y358-K365 HydrophobicContact CG-CG 3.88Å; Y358-R366 WeakPolarHBondContact OH-CB 3.29Å; Y358-R366 WeakPolarHBondContact OH-CG 3.39Å; Y358-R366 PolarHBondContact OH-N 2.89Å; Y358-L397 HydrophobicContact CD2-CD1 3.55Å; Y358-L397 HydrophobicContact CD2-CG 4.48Å; Y358-L397 HydrophobicContact CE2-CD1 3.52Å
359	S	60.9	Low	58.4	Low	47 Å²	47	52.4 Å²	52.4	33%	0.329	30%	0.299	S	S	.	.			trans	-57.2	153.5	170.8	90	0	0	0	0	108.3	P357 D361 D362 K365	P357-S359 PolarHBondContact O-N 3.02Å; S359-D361 PolarHBondContact O-N 3.45Å; S359-D361 PolarHBondContact OG-N 3.11Å; S359-D362 VanDerWaalsContact CB-OD1 3.26Å; S359-D362 WeakPolarHBondContact CB-OD1 3.44Å; S359-D362 PolarHBondContact N-OD2 2.95Å; S359-D362 PolarHBondContact O-N 3.19Å; S359-D362 PolarHBondContact OG-N 3.36Å; S359-D362 PolarHBondContact OG-OD1 2.75Å; S359-K365 WeakPolarHBondContact O-CE 3.2Å; S359-K365 PolarHBondContact O-NZ 3.04Å
360	P	62.8	Low	60.5	Low	64 Å²	64	52.4 Å²	52.4	42%	0.416	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-33.6	175.8	16.6	-28.2	0	0	0	111.7	K365 Y395	P360-K365 PolarHBondContact O-NZ 3.12Å; P360-Y395 HydrophobicContact CB-CD1 3.59Å; P360-Y395 HydrophobicContact CB-CE1 3.87Å; P360-Y395 WeakPolarHBondContact O-CD1 3.33Å; P360-Y395 VanDerWaalsContact O-CE1 3.24Å; P360-Y395 WeakPolarHBondContact O-CE1 3.31Å
361	D	67.2	Low	62.2	Low	121 Å²	121	53.5 Å²	53.5	65%	0.647	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	2.7	-165	-50.2	-49	0	0	0	114	S359 W363	S359-D361 PolarHBondContact O-N 3.45Å; S359-D361 PolarHBondContact OG-N 3.11Å; D361-W363 PolarHBondContact O-N 2.76Å
362	D	70.9	Confident	63.8	Low	18 Å²	18	53.7 Å²	53.7	10%	0.096	31%	0.306	C	S	.	.			trans	-56.2	114.9	171.7	-62.2	-23.2	0	0	0	109.2	Y358 S359 L364 K365 W394	Y358-D362 WeakPolarHBondContact CA-OD2 3.33Å; Y358-D362 WeakPolarHBondContact CB-OD2 3.44Å; S359-D362 VanDerWaalsContact CB-OD1 3.26Å; S359-D362 WeakPolarHBondContact CB-OD1 3.44Å; S359-D362 PolarHBondContact N-OD2 2.95Å; S359-D362 PolarHBondContact O-N 3.19Å; S359-D362 PolarHBondContact OG-N 3.36Å; S359-D362 PolarHBondContact OG-OD1 2.75Å; D362-L364 PolarHBondContact O-N 3.19Å; D362-K365 HydrophobicContact CB-CG 4.37Å; D362-K365 WeakPolarHBondContact O-CE 3.15Å; D362-W394 WeakPolarHBondContact O-CZ2 3.14Å; D362-W394 PolarHBondContact O-NE1 3.43Å
363	W	76	Confident	65.6	Low	147 Å²	147	55.2 Å²	55.2	56%	0.557	32%	0.315	S	S	*	.	S	Bend	trans	-62.7	-18.7	178.2	66.1	-62.9	0	0	0	114.3	D361 E375 R376 W394	D361-W363 PolarHBondContact O-N 2.76Å; W363-E375 HydrophobicContact CE3-CG 3.79Å; W363-E375 HydrophobicContact CZ3-CG 4.09Å; W363-E375 WeakPolarHBondContact CZ3-OE1 3.47Å; W363-E375 CarbonylContact O-C 3.57Å; W363-E375 VanDerWaalsContact O-CA 3.29Å; W363-E375 WeakPolarHBondContact O-CA 3.4Å; W363-R376 PolarHBondContact O-N 3.4Å; W363-W394 WeakPolarHBondContact O-CH2 3.14Å; W363-W394 WeakPolarHBondContact O-CZ2 3.26Å
364	L	79.5	Confident	67.5	Low	66 Å²	66	53.5 Å²	53.5	35%	0.346	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	113.5	-178.4	-176.5	71.7	0	0	0	111.1	D362 P373 E375	D362-L364 PolarHBondContact O-N 3.19Å; L364-P373 HydrophobicContact CD1-CB 4.27Å; L364-E375 HydrophobicContact CD1-CB 4.13Å
365	K	78.5	Confident	69.9	Low	1 Å²	1	55.1 Å²	55.1	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	172.7	175.1	-52	-171.7	-172.7	-176.5	0	110.4	Y358 S359 P360 D362 I374 W394 L397	Y358-K365 HydrophobicContact CD1-CB 4.01Å; Y358-K365 HydrophobicContact CD1-CD 4.16Å; Y358-K365 HydrophobicContact CD1-CG 3.65Å; Y358-K365 HydrophobicContact CD2-CB 4.46Å; Y358-K365 HydrophobicContact CD2-CD 4.4Å; Y358-K365 HydrophobicContact CD2-CG 4.48Å; Y358-K365 HydrophobicContact CE1-CB 3.93Å; Y358-K365 HydrophobicContact CE1-CG 4.06Å; Y358-K365 HydrophobicContact CE2-CB 4.37Å; Y358-K365 HydrophobicContact CG-CB 4.28Å; Y358-K365 HydrophobicContact CG-CD 3.87Å; Y358-K365 HydrophobicContact CG-CG 3.88Å; S359-K365 WeakPolarHBondContact O-CE 3.2Å; S359-K365 PolarHBondContact O-NZ 3.04Å; P360-K365 PolarHBondContact O-NZ 3.12Å; D362-K365 HydrophobicContact CB-CG 4.37Å; D362-K365 WeakPolarHBondContact O-CE 3.15Å; K365-I374 PolarHBondContact N-O 3.32Å; K365-I374 PolarHBondContact O-N 2.92Å; K365-W394 HydrophobicContact CB-CE3 4.19Å; K365-W394 HydrophobicContact CB-CH2 3.85Å; K365-W394 HydrophobicContact CB-CZ2 4.49Å; K365-W394 HydrophobicContact CB-CZ3 3.65Å; K365-W394 HydrophobicContact CD-CD2 3.77Å; K365-W394 HydrophobicContact CD-CE3 3.87Å; K365-W394 HydrophobicContact CD-CG 4.43Å; K365-W394 HydrophobicContact CD-CH2 4.18Å; K365-W394 HydrophobicContact CD-CZ2 4.02Å; K365-W394 HydrophobicContact CD-CZ3 4.08Å; K365-W394 WeakPolarHBondContact CD-O 3.42Å; K365-W394 VanDerWaalsContact CE-CE2 3.46Å; K365-W394 HydrophobicContact CG-CD2 4.33Å; K365-W394 HydrophobicContact CG-CE3 4.14Å; K365-W394 HydrophobicContact CG-CH2 3.65Å; K365-W394 HydrophobicContact CG-CZ2 3.79Å; K365-W394 HydrophobicContact CG-CZ3 3.8Å; K365-W394 PolarHBondContact NZ-O 2.94Å; K365-L397 HydrophobicContact CD-CD2 4.35Å
366	R	76	Confident	71.7	Confident	39 Å²	39	51.7 Å²	51.7	15%	0.147	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	147.7	175	-68	177.3	-176.6	-90	8.3	110.7	V350 Y358 P368 L371	V350-R366 PolarHBondContact O-NE 3.26Å; Y358-R366 WeakPolarHBondContact OH-CB 3.29Å; Y358-R366 WeakPolarHBondContact OH-CG 3.39Å; Y358-R366 PolarHBondContact OH-N 2.89Å; R366-P368 WeakPolarHBondContact O-CD 3.46Å; R366-L371 WeakPolarHBondContact CG-O 3.44Å; R366-L371 PolarHBondContact NH1-O 3.48Å
367	C	81.8	Confident	73.1	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.314	C	S	.	.			trans	-62.2	125.4	171.2	-179.1	0	0	0	0	110.2	A369 L371 V372 I374 C385	C367-A369 PolarHBondContact O-N 3.22Å; C367-L371 VanDerWaalsContact O-CA 3.25Å; C367-L371 WeakPolarHBondContact O-CA 3.14Å; C367-L371 PolarHBondContact O-N 3.48Å; C367-V372 PolarHBondContact N-O 3.34Å; C367-I374 HydrophobicContact CB-CD1 3.71Å; C367-C385 HydrophobicContact CB-CB 4.24Å; C367-C385 VanDerWaalsContact SG-CB 3.53Å
368	P	83	Confident	74.4	Confident	28 Å²	28	60.2 Å²	60.2	18%	0.182	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.3	-178.5	22.9	-31.3	0	0	0	114	F355 R366 F392 L397	F355-P368 HydrophobicContact CE1-CB 4.47Å; F355-P368 HydrophobicContact CZ-CB 4.39Å; R366-P368 WeakPolarHBondContact O-CD 3.46Å; P368-F392 HydrophobicContact CG-CB 4Å; P368-F392 HydrophobicContact CG-CD1 4.4Å; P368-F392 HydrophobicContact CG-CD2 4.25Å; P368-F392 HydrophobicContact CG-CG 3.96Å; P368-L397 HydrophobicContact CB-CB 4.34Å; P368-L397 HydrophobicContact CG-CB 4.24Å; P368-L397 WeakPolarHBondContact CG-O 3.48Å
369	A	76.2	Confident	75.4	Confident	31 Å²	31	61.2 Å²	61.2	26%	0.256	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-30.7	179.5	0	0	0	0	0	115.3	C367 H390	C367-A369 PolarHBondContact O-N 3.22Å; A369-H390 HydrophobicContact CB-CB 3.78Å; A369-H390 VanDerWaalsContact CB-CD2 3.47Å; A369-H390 WeakPolarHBondContact CB-CD2 3.45Å
370	C	76.9	Confident	76.6	Confident	41 Å²	41	60.9 Å²	60.9	28%	0.277	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.2	5.3	-177	74.6	0	0	0	0	115.6	V372 C388	C370-V372 PolarHBondContact O-N 3Å; C370-V372 VanDerWaalsContact SG-CG2 3.55Å; C370-C388 HydrophobicContact CB-CB 3.95Å; C370-C388 PolarHBondContact SG-SG 2.98Å
371	L	75.4	Confident	77.8	Confident	58 Å²	58	57.8 Å²	57.8	30%	0.304	31%	0.308	S	S	.	.			trans	59	-3.3	176.4	-53.1	-180	0	0	0	117.2	F355 R366 C367	F355-L371 HydrophobicContact CE1-CD2 4.42Å; F355-L371 HydrophobicContact CZ-CD2 4.25Å; R366-L371 WeakPolarHBondContact CG-O 3.44Å; R366-L371 PolarHBondContact NH1-O 3.48Å; C367-L371 VanDerWaalsContact O-CA 3.25Å; C367-L371 WeakPolarHBondContact O-CA 3.14Å; C367-L371 PolarHBondContact O-N 3.48Å
372	V	70.9	Confident	78.9	Confident	60 Å²	60	54.1 Å²	54.1	36%	0.364	29%	0.287	S	S	.	.			trans	-51.8	127.2	169.4	173.8	0	0	0	0	109.1	C367 C370	C367-V372 PolarHBondContact N-O 3.34Å; C370-V372 PolarHBondContact O-N 3Å; C370-V372 VanDerWaalsContact SG-CG2 3.55Å
373	P	75.7	Confident	79.7	Confident	50 Å²	50	54.6 Å²	54.6	33%	0.325	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	136.7	178.8	25.1	-32	0	0	0	111.1	R27 L364	R27-P373 PolarHBondContact NH1-O 2.96Å; L364-P373 HydrophobicContact CD1-CB 4.27Å
374	I	78.6	Confident	80.3	Confident	20 Å²	20	53.3 Å²	53.3	10%	0.103	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132	-178.4	-67.8	173.7	0	0	0	108	K365 C367 M383 C385 F392 W394	K365-I374 PolarHBondContact N-O 3.32Å; K365-I374 PolarHBondContact O-N 2.92Å; C367-I374 HydrophobicContact CB-CD1 3.71Å; I374-M383 HydrophobicContact CG2-CE 3.6Å; I374-C385 HydrophobicContact CD1-CB 3.95Å; I374-F392 HydrophobicContact CD1-CE1 3.69Å; I374-F392 HydrophobicContact CD1-CZ 3.63Å; I374-W394 HydrophobicContact CG2-CZ3 4.09Å
375	E	81.6	Confident	80.7	Confident	78 Å²	78	50.2 Å²	50.2	36%	0.364	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.3	178.8	-177.3	176.1	147.5	0	0	108.4	R27 W363 L364	R27-E375 IonicContact CZ-OE2 3.94Å; R27-E375 VanDerWaalsContact NH2-CB 3.29Å; R27-E375 IonicContact NH2-OE2 3.33Å; R27-E375 PolarHBondContact NH2-OE2 3.02Å; W363-E375 HydrophobicContact CE3-CG 3.79Å; W363-E375 HydrophobicContact CZ3-CG 4.09Å; W363-E375 WeakPolarHBondContact CZ3-OE1 3.47Å; W363-E375 CarbonylContact O-C 3.57Å; W363-E375 VanDerWaalsContact O-CA 3.29Å; W363-E375 WeakPolarHBondContact O-CA 3.4Å; L364-E375 HydrophobicContact CD1-CB 4.13Å
376	R	80.8	Confident	81.1	Confident	43 Å²	43	61.2 Å²	61.2	16%	0.162	32%	0.316	C	S	.	.			trans	-99.8	106.4	175.8	-176.2	179.5	177.4	-151	-1.6	107.1	W363 G379 C380 M383 W394 Y395	W363-R376 PolarHBondContact O-N 3.4Å; R376-G379 PolarHBondContact NH2-O 3.06Å; R376-C380 PolarHBondContact NE-O 2.05Å; R376-M383 HydrophobicContact CB-CE 3.8Å; R376-M383 HydrophobicContact CB-SD 3.94Å; R376-M383 HydrophobicContact CG-CE 4.1Å; R376-M383 HydrophobicContact CG-SD 4Å; R376-W394 HydrophobicContact CB-CD2 4.24Å; R376-W394 HydrophobicContact CB-CE3 4.5Å; R376-W394 HydrophobicContact CB-CH2 3.57Å; R376-W394 HydrophobicContact CB-CZ2 3.27Å; R376-W394 HydrophobicContact CB-CZ3 4.21Å; R376-W394 HydrophobicContact CG-CZ2 4.33Å; R376-Y395 PolarHBondContact NH1-OH 3.27Å
377	I	72.9	Confident	81.2	Confident	151 Å²	151	63.2 Å²	63.2	77%	0.774	34%	0.336	S	S	*	.			trans	-68.7	-47.5	178.3	-61	170.9	0	0	0	109.2
378	E	76.7	Confident	81.2	Confident	176 Å²	176	65.8 Å²	65.8	82%	0.822	35%	0.353	S	S	*	.	S	Bend	trans	-171.9	-169.5	172.3	-120.9	166.8	-135.3	0	0	110.7
379	G	81.3	Confident	81.4	Confident	46 Å²	46	70.7 Å²	70.7	47%	0.474	37%	0.372	S	S	.	.	S	Bend	trans	83.4	-137.8	162.9	0	0	0	0	0	115.7	R376	R376-G379 PolarHBondContact NH2-O 3.06Å
380	C	85.7	Confident	81.8	Confident	40 Å²	40	70.3 Å²	70.3	27%	0.27	37%	0.365	S	S	.	.			trans	-59.5	146.3	-170.5	-171.4	0	0	0	0	113.5	R376 Q382 L418 H420	R376-C380 PolarHBondContact NE-O 2.05Å; C380-Q382 PolarHBondContact SG-N 3Å; C380-L418 WeakPolarHBondContact CA-O 3.43Å; C380-L418 PolarHBondContact SG-O 3.09Å; C380-L418 VanDerWaalsContact SG-O 3.38Å; C380-H420 PolarHBondContact SG-CE1 3.29Å; C380-H420 PolarHBondContact SG-ND1 3.44Å
381	A	88.8	Confident	82.4	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.357	C	S	.	.	S	Bend	trans	-92.6	-12.4	175.2	0	0	0	0	0	114.6	W394 Y395 Y409 K417 L418	A381-W394 PolarHBondContact O-N 2.79Å; A381-Y395 HydrophobicContact CB-CD2 3.91Å; A381-Y395 HydrophobicContact CB-CE2 3.51Å; A381-Y409 HydrophobicContact CB-CE1 3.97Å; A381-Y409 PolarHBondContact O-OH 2.69Å; A381-K417 WeakPolarHBondContact CB-O 3.42Å; A381-L418 PolarHBondContact N-O 2.85Å; A381-L418 VanDerWaalsContact N-O 3.11Å
382	Q	89.6	Confident	83.1	Confident	43 Å²	43	66.4 Å²	66.4	20%	0.201	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	120.5	162.8	177.1	-172.9	30.6	0	0	107.3	C380 L400 L406 Y409 L418	C380-Q382 PolarHBondContact SG-N 3Å; Q382-L400 HydrophobicContact CB-CD1 4.15Å; Q382-L400 HydrophobicContact CG-CD1 3.87Å; Q382-L406 HydrophobicContact CB-CD2 4.26Å; Q382-Y409 PolarHBondContact N-OH 3.45Å; Q382-L418 HydrophobicContact CB-CD1 4.03Å
383	M	87.8	Confident	83.9	Confident	29 Å²	29	63.6 Å²	63.6	14%	0.143	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	149.7	-179.6	-63.5	-167.2	74.7	0	0	111.3	I374 R376 T391 F392 W394	I374-M383 HydrophobicContact CG2-CE 3.6Å; R376-M383 HydrophobicContact CB-CE 3.8Å; R376-M383 HydrophobicContact CB-SD 3.94Å; R376-M383 HydrophobicContact CG-CE 4.1Å; R376-M383 HydrophobicContact CG-SD 4Å; M383-T391 CarbonylContact O-C 3.55Å; M383-T391 VanDerWaalsContact O-CA 3.23Å; M383-T391 WeakPolarHBondContact O-CA 3.4Å; M383-F392 HydrophobicContact CB-CE1 4.15Å; M383-F392 HydrophobicContact CB-CE2 4.28Å; M383-F392 HydrophobicContact CB-CZ 3.93Å; M383-F392 PolarHBondContact N-O 2.86Å; M383-F392 PolarHBondContact O-N 3.25Å; M383-W394 HydrophobicContact CE-CE3 4.27Å; M383-W394 HydrophobicContact CE-CZ3 4.11Å; M383-W394 HydrophobicContact CG-CB 4.49Å; M383-W394 HydrophobicContact CG-CE3 4.49Å; M383-W394 HydrophobicContact SD-CB 4.1Å; M383-W394 HydrophobicContact SD-CD2 3.58Å; M383-W394 VanDerWaalsContact SD-CD2 3.58Å; M383-W394 HydrophobicContact SD-CE3 3.11Å; M383-W394 HydrophobicContact SD-CG 4.08Å; M383-W394 HydrophobicContact SD-CH2 4.32Å; M383-W394 HydrophobicContact SD-CZ3 3.55Å; M383-W394 VanDerWaalsContact SD-CZ3 3.55Å
384	M	89.4	Confident	84.5	Confident	119 Å²	119	61.3 Å²	61.3	59%	0.586	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.2	178.6	-177.3	-176	-74.1	0	0	109	R386 K389 T391	M384-R386 PolarHBondContact O-N 3.47Å; M384-K389 WeakPolarHBondContact CG-O 3.48Å; M384-T391 HydrophobicContact CB-CG2 4.07Å; M384-T391 HydrophobicContact CE-CG2 3.7Å; M384-T391 HydrophobicContact CG-CG2 3.98Å
385	C	86.8	Confident	84.9	Confident	1 Å²	1	63 Å²	63	1%	0.007	32%	0.315	C	S	.	.			trans	-69	124.8	176.1	-175.7	0	0	0	0	111	C367 I374 S387 C388 K389 H390	C367-C385 HydrophobicContact CB-CB 4.24Å; C367-C385 VanDerWaalsContact SG-CB 3.53Å; I374-C385 HydrophobicContact CD1-CB 3.95Å; C385-S387 PolarHBondContact O-N 2.9Å; C385-S387 PolarHBondContact SG-N 3.35Å; C385-C388 VanDerWaalsContact CB-SG 3.55Å; C385-C388 VanDerWaalsContact SG-SG 3.67Å; C385-K389 WeakPolarHBondContact O-CA 3.23Å; C385-K389 PolarHBondContact O-N 3.37Å; C385-H390 PolarHBondContact N-O 3.31Å
386	R	87	Confident	85.1	Confident	233 Å²	233	61.7 Å²	61.7	88%	0.879	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.1	177.2	-67.6	-174.2	-179.9	-177.9	1.2	112.7	M384 K389	M384-R386 PolarHBondContact O-N 3.47Å; R386-K389 PolarHBondContact O-NZ 3.47Å
387	S	78	Confident	85.4	Confident	80 Å²	80	61 Å²	61	56%	0.559	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-67.5	-178.7	169.4	0	0	0	0	112.5	C385	C385-S387 PolarHBondContact O-N 2.9Å; C385-S387 PolarHBondContact SG-N 3.35Å
388	C	82.2	Confident	85.9	Confident	54 Å²	54	57 Å²	57	37%	0.365	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	0.9	-172.6	67.1	0	0	0	0	115.2	C370 C385 H390	C370-C388 HydrophobicContact CB-CB 3.95Å; C370-C388 PolarHBondContact SG-SG 2.98Å; C385-C388 VanDerWaalsContact CB-SG 3.55Å; C385-C388 VanDerWaalsContact SG-SG 3.67Å; C388-H390 PolarHBondContact O-N 3.4Å; C388-H390 WeakPolarHBondContact SG-CB 3.41Å
389	K	87.5	Confident	86.5	Confident	132 Å²	132	51.1 Å²	51.1	57%	0.574	28%	0.275	S	S	*	.			trans	61.6	-7.2	-176.2	-50.3	-51	-176.3	-163.9	0	117	M384 C385 R386 T391	M384-K389 WeakPolarHBondContact CG-O 3.48Å; C385-K389 WeakPolarHBondContact O-CA 3.23Å; C385-K389 PolarHBondContact O-N 3.37Å; R386-K389 PolarHBondContact O-NZ 3.47Å; K389-T391 PolarHBondContact O-N 2.67Å
390	H	84.4	Confident	86.9	Confident	23 Å²	23	49.2 Å²	49.2	11%	0.106	25%	0.254	C	S	.	.			trans	-48.4	130.1	172.3	-178.1	61.2	0	0	0	112.4	A369 C385 C388 S399 D401	A369-H390 HydrophobicContact CB-CB 3.78Å; A369-H390 VanDerWaalsContact CB-CD2 3.47Å; A369-H390 WeakPolarHBondContact CB-CD2 3.45Å; C385-H390 PolarHBondContact N-O 3.31Å; C388-H390 PolarHBondContact O-N 3.4Å; C388-H390 WeakPolarHBondContact SG-CB 3.41Å; H390-S399 PolarHBondContact CE1-OG 3.3Å; H390-D401 IonicContact CE1-OD2 3.36Å; H390-D401 IonicContact CG-OD2 2.67Å; H390-D401 IonicContact ND1-OD1 3.18Å; H390-D401 IonicContact ND1-OD2 3.06Å; H390-D401 PolarHBondContact ND1-OD2 2.81Å
391	T	89.4	Confident	86.8	Confident	17 Å²	17	50.5 Å²	50.5	10%	0.104	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	137.8	177.2	66.8	0	0	0	0	111.2	M383 M384 K389 L400 D401	M383-T391 CarbonylContact O-C 3.55Å; M383-T391 VanDerWaalsContact O-CA 3.23Å; M383-T391 WeakPolarHBondContact O-CA 3.4Å; M384-T391 HydrophobicContact CB-CG2 4.07Å; M384-T391 HydrophobicContact CE-CG2 3.7Å; M384-T391 HydrophobicContact CG-CG2 3.98Å; K389-T391 PolarHBondContact O-N 2.67Å; T391-L400 PolarHBondContact O-N 3.35Å; T391-L400 VanDerWaalsContact OG1-C 3.32Å; T391-D401 WeakPolarHBondContact CA-OD1 3.15Å; T391-D401 WeakPolarHBondContact CB-OD1 3.47Å; T391-D401 PolarHBondContact N-OD1 2.95Å; T391-D401 WeakPolarHBondContact OG1-CA 3.25Å; T391-D401 PolarHBondContact OG1-N 3.26Å; T391-D401 PolarHBondContact OG1-OD1 3.41Å
392	F	89.5	Confident	86.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	158.9	-173.1	64.5	-81.4	0	0	0	111.7	P368 I374 M383 W394 L397 T398 L400	P368-F392 HydrophobicContact CG-CB 4Å; P368-F392 HydrophobicContact CG-CD1 4.4Å; P368-F392 HydrophobicContact CG-CD2 4.25Å; P368-F392 HydrophobicContact CG-CG 3.96Å; I374-F392 HydrophobicContact CD1-CE1 3.69Å; I374-F392 HydrophobicContact CD1-CZ 3.63Å; M383-F392 HydrophobicContact CB-CE1 4.15Å; M383-F392 HydrophobicContact CB-CE2 4.28Å; M383-F392 HydrophobicContact CB-CZ 3.93Å; M383-F392 PolarHBondContact N-O 2.86Å; M383-F392 PolarHBondContact O-N 3.25Å; F392-W394 HydrophobicContact CE2-CE3 4.26Å; F392-L397 HydrophobicContact CD2-CD2 3.68Å; F392-L397 HydrophobicContact CE2-CD2 3.67Å; F392-T398 VanDerWaalsContact CA-O 3.25Å; F392-T398 WeakPolarHBondContact CA-O 3.14Å; F392-T398 WeakPolarHBondContact CB-O 3.32Å; F392-L400 VanDerWaalsContact C-CD1 3.5Å
393	C	89.4	Confident	86.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	128.1	174.2	174.4	0	0	0	0	110.9	Y395 C396 L397 T398 L400 H408 Y409 C414	C393-Y395 VanDerWaalsContact C-N 3.26Å; C393-Y395 PolarHBondContact O-N 2.72Å; C393-C396 VanDerWaalsContact CB-SG 3.55Å; C393-C396 VanDerWaalsContact SG-SG 3.63Å; C393-L397 VanDerWaalsContact O-CA 3.24Å; C393-L397 WeakPolarHBondContact O-CA 3.2Å; C393-L397 PolarHBondContact O-N 2.74Å; C393-T398 PolarHBondContact N-O 3.38Å; C393-L400 HydrophobicContact CB-CD1 4.04Å; C393-L400 HydrophobicContact CB-CD2 4.46Å; C393-L400 HydrophobicContact CB-CG 4.34Å; C393-H408 PolarHBondContact SG-NE2 2.91Å; C393-Y409 WeakPolarHBondContact CA-OH 3.26Å; C393-Y409 WeakPolarHBondContact CB-OH 3.28Å; C393-Y409 PolarHBondContact SG-OH 3.35Å; C393-C414 VanDerWaalsContact SG-SG 3.69Å
394	W	87.4	Confident	85.9	Confident	3 Å²	3	61.8 Å²	61.8	1%	0.011	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.1	-179.2	-174.9	-110.3	0	0	0	115	D362 W363 K365 I374 R376 A381 M383 F392	D362-W394 WeakPolarHBondContact O-CZ2 3.14Å; D362-W394 PolarHBondContact O-NE1 3.43Å; W363-W394 WeakPolarHBondContact O-CH2 3.14Å; W363-W394 WeakPolarHBondContact O-CZ2 3.26Å; K365-W394 HydrophobicContact CB-CE3 4.19Å; K365-W394 HydrophobicContact CB-CH2 3.85Å; K365-W394 HydrophobicContact CB-CZ2 4.49Å; K365-W394 HydrophobicContact CB-CZ3 3.65Å; K365-W394 HydrophobicContact CD-CD2 3.77Å; K365-W394 HydrophobicContact CD-CE3 3.87Å; K365-W394 HydrophobicContact CD-CG 4.43Å; K365-W394 HydrophobicContact CD-CH2 4.18Å; K365-W394 HydrophobicContact CD-CZ2 4.02Å; K365-W394 HydrophobicContact CD-CZ3 4.08Å; K365-W394 WeakPolarHBondContact CD-O 3.42Å; K365-W394 VanDerWaalsContact CE-CE2 3.46Å; K365-W394 HydrophobicContact CG-CD2 4.33Å; K365-W394 HydrophobicContact CG-CE3 4.14Å; K365-W394 HydrophobicContact CG-CH2 3.65Å; K365-W394 HydrophobicContact CG-CZ2 3.79Å; K365-W394 HydrophobicContact CG-CZ3 3.8Å; K365-W394 PolarHBondContact NZ-O 2.94Å; I374-W394 HydrophobicContact CG2-CZ3 4.09Å; R376-W394 HydrophobicContact CB-CD2 4.24Å; R376-W394 HydrophobicContact CB-CE3 4.5Å; R376-W394 HydrophobicContact CB-CH2 3.57Å; R376-W394 HydrophobicContact CB-CZ2 3.27Å; R376-W394 HydrophobicContact CB-CZ3 4.21Å; R376-W394 HydrophobicContact CG-CZ2 4.33Å; A381-W394 PolarHBondContact O-N 2.79Å; M383-W394 HydrophobicContact CE-CE3 4.27Å; M383-W394 HydrophobicContact CE-CZ3 4.11Å; M383-W394 HydrophobicContact CG-CB 4.49Å; M383-W394 HydrophobicContact CG-CE3 4.49Å; M383-W394 HydrophobicContact SD-CB 4.1Å; M383-W394 HydrophobicContact SD-CD2 3.58Å; M383-W394 VanDerWaalsContact SD-CD2 3.58Å; M383-W394 HydrophobicContact SD-CE3 3.11Å; M383-W394 HydrophobicContact SD-CG 4.08Å; M383-W394 HydrophobicContact SD-CH2 4.32Å; M383-W394 HydrophobicContact SD-CZ3 3.55Å; M383-W394 VanDerWaalsContact SD-CZ3 3.55Å; F392-W394 HydrophobicContact CE2-CE3 4.26Å
395	Y	86.9	Confident	85.5	Confident	54 Å²	54	60.9 Å²	60.9	21%	0.212	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-27.6	-171.2	-68.7	-69.2	0	0	0	113.7	P360 R376 A381 C393 K417	P360-Y395 HydrophobicContact CB-CD1 3.59Å; P360-Y395 HydrophobicContact CB-CE1 3.87Å; P360-Y395 WeakPolarHBondContact O-CD1 3.33Å; P360-Y395 VanDerWaalsContact O-CE1 3.24Å; P360-Y395 WeakPolarHBondContact O-CE1 3.31Å; R376-Y395 PolarHBondContact NH1-OH 3.27Å; A381-Y395 HydrophobicContact CB-CD2 3.91Å; A381-Y395 HydrophobicContact CB-CE2 3.51Å; C393-Y395 VanDerWaalsContact C-N 3.26Å; C393-Y395 PolarHBondContact O-N 2.72Å; Y395-K417 HydrophobicContact CD1-CD 4.45Å; Y395-K417 HydrophobicContact CD2-CB 3.88Å; Y395-K417 HydrophobicContact CD2-CD 3.98Å; Y395-K417 HydrophobicContact CE2-CB 3.65Å; Y395-K417 HydrophobicContact CE2-CD 4.11Å; Y395-K417 HydrophobicContact CE2-CG 4.45Å; Y395-K417 HydrophobicContact CG-CD 4.18Å
396	C	86.4	Confident	85.3	Confident	52 Å²	52	61.1 Å²	61.1	35%	0.351	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-2.2	-172.9	66.3	0	0	0	0	113.9	C393 T398 H408	C393-C396 VanDerWaalsContact CB-SG 3.55Å; C393-C396 VanDerWaalsContact SG-SG 3.63Å; C396-T398 PolarHBondContact O-N 2.66Å; C396-T398 VanDerWaalsContact SG-CB 3.57Å; C396-T398 PolarHBondContact SG-N 2.84Å; C396-T398 PolarHBondContact SG-OG1 3.36Å; C396-H408 PolarHBondContact SG-CE1 3.35Å; C396-H408 PolarHBondContact SG-NE2 2.71Å
397	L	86.4	Confident	85.3	Confident	27 Å²	27	55.8 Å²	55.8	14%	0.141	30%	0.297	C	S	.	.			trans	51.9	20.2	-175.2	-54.5	-173.7	0	0	0	115.4	F355 Y358 K365 P368 F392 C393	F355-L397 HydrophobicContact CD1-CD1 4.22Å; F355-L397 HydrophobicContact CE1-CD1 4.36Å; Y358-L397 HydrophobicContact CD2-CD1 3.55Å; Y358-L397 HydrophobicContact CD2-CG 4.48Å; Y358-L397 HydrophobicContact CE2-CD1 3.52Å; K365-L397 HydrophobicContact CD-CD2 4.35Å; P368-L397 HydrophobicContact CB-CB 4.34Å; P368-L397 HydrophobicContact CG-CB 4.24Å; P368-L397 WeakPolarHBondContact CG-O 3.48Å; F392-L397 HydrophobicContact CD2-CD2 3.68Å; F392-L397 HydrophobicContact CE2-CD2 3.67Å; C393-L397 VanDerWaalsContact O-CA 3.24Å; C393-L397 WeakPolarHBondContact O-CA 3.2Å; C393-L397 PolarHBondContact O-N 2.74Å
398	T	84.6	Confident	85.8	Confident	69 Å²	69	54.1 Å²	54.1	42%	0.423	28%	0.28	S	S	.	.			trans	-71.6	138.3	173.5	-58.5	0	0	0	0	109.8	F392 C393 C396	F392-T398 VanDerWaalsContact CA-O 3.25Å; F392-T398 WeakPolarHBondContact CA-O 3.14Å; F392-T398 WeakPolarHBondContact CB-O 3.32Å; C393-T398 PolarHBondContact N-O 3.38Å; C396-T398 PolarHBondContact O-N 2.66Å; C396-T398 VanDerWaalsContact SG-CB 3.57Å; C396-T398 PolarHBondContact SG-N 2.84Å; C396-T398 PolarHBondContact SG-OG1 3.36Å
399	S	88.1	Confident	86.1	Confident	52 Å²	52	51.8 Å²	51.8	36%	0.364	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-55.9	139.2	172.8	-177.5	0	0	0	0	111.3	H390 D401	H390-S399 PolarHBondContact CE1-OG 3.3Å; S399-D401 PolarHBondContact OG-N 3.32Å
400	L	89	Confident	86.1	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.026	25%	0.254	C	S	.	.			trans	-116.7	7.1	171.7	-62.3	176.1	0	0	0	112.2	Q382 T391 F392 C393 D402 D403 H408 Y409	Q382-L400 HydrophobicContact CB-CD1 4.15Å; Q382-L400 HydrophobicContact CG-CD1 3.87Å; T391-L400 PolarHBondContact O-N 3.35Å; T391-L400 VanDerWaalsContact OG1-C 3.32Å; F392-L400 VanDerWaalsContact C-CD1 3.5Å; C393-L400 HydrophobicContact CB-CD1 4.04Å; C393-L400 HydrophobicContact CB-CD2 4.46Å; C393-L400 HydrophobicContact CB-CG 4.34Å; L400-D402 VanDerWaalsContact C-N 3.29Å; L400-D402 PolarHBondContact O-N 3.48Å; L400-D403 HydrophobicContact CD2-CB 4.22Å; L400-D403 PolarHBondContact O-N 3.1Å; L400-H408 HydrophobicContact CD2-CB 3.62Å; L400-Y409 HydrophobicContact CD1-CE2 3.77Å; L400-Y409 HydrophobicContact CD2-CE2 4.29Å
401	D	84.6	Confident	85.9	Confident	68 Å²	68	53 Å²	53	36%	0.364	28%	0.277	S	S	.	.	S	Bend	trans	-59.9	-38	-175.1	-71.3	-21.2	0	0	0	112.6	H390 T391 S399	H390-D401 IonicContact CE1-OD2 3.36Å; H390-D401 IonicContact CG-OD2 2.67Å; H390-D401 IonicContact ND1-OD1 3.18Å; H390-D401 IonicContact ND1-OD2 3.06Å; H390-D401 PolarHBondContact ND1-OD2 2.81Å; T391-D401 WeakPolarHBondContact CA-OD1 3.15Å; T391-D401 WeakPolarHBondContact CB-OD1 3.47Å; T391-D401 PolarHBondContact N-OD1 2.95Å; T391-D401 WeakPolarHBondContact OG1-CA 3.25Å; T391-D401 PolarHBondContact OG1-N 3.26Å; T391-D401 PolarHBondContact OG1-OD1 3.41Å; S399-D401 PolarHBondContact OG-N 3.32Å
402	D	83.4	Confident	85.6	Confident	138 Å²	138	55 Å²	55	74%	0.738	30%	0.302	S	S	*	.	S	Bend	trans	-90.7	-12.1	175.3	-63.4	-58	0	0	0	113.5	L400 F404	L400-D402 VanDerWaalsContact C-N 3.29Å; L400-D402 PolarHBondContact O-N 3.48Å; D402-F404 VanDerWaalsContact C-N 3.28Å; D402-F404 WeakPolarHBondContact O-CD2 3.47Å; D402-F404 WeakPolarHBondContact O-CE2 3.44Å; D402-F404 PolarHBondContact O-N 3.47Å
403	D	84.1	Confident	85.3	Confident	30 Å²	30	59.2 Å²	59.2	16%	0.16	34%	0.336	C	S	.	.			trans	-87.9	66.4	-178.2	-173	9.1	0	0	0	111.2	L400 L405 L406 Q407 H408	L400-D403 HydrophobicContact CD2-CB 4.22Å; L400-D403 PolarHBondContact O-N 3.1Å; D403-L405 PolarHBondContact O-N 2.95Å; D403-L405 VanDerWaalsContact O-N 3.09Å; D403-L406 PolarHBondContact O-N 2.84Å; D403-L406 VanDerWaalsContact O-N 3.1Å; D403-L406 WeakPolarHBondContact OD1-CA 3.44Å; D403-L406 PolarHBondContact OD1-N 3.2Å; D403-L406 VanDerWaalsContact OD2-C 3.24Å; D403-L406 VanDerWaalsContact OD2-CA 3.25Å; D403-L406 WeakPolarHBondContact OD2-CA 3.39Å; D403-Q407 VanDerWaalsContact CG-N 3.3Å; D403-Q407 PolarHBondContact OD1-N 2.89Å; D403-Q407 PolarHBondContact OD2-N 2.91Å; D403-H408 WeakPolarHBondContact OD2-CB 3.49Å; D403-H408 PolarHBondContact OD2-N 3.26Å
404	F	78.9	Confident	85.2	Confident	141 Å²	141	59.6 Å²	59.6	62%	0.618	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-30	-179.4	-60.8	-79.7	0	0	0	113.5	D402 R429	D402-F404 VanDerWaalsContact C-N 3.28Å; D402-F404 WeakPolarHBondContact O-CD2 3.47Å; D402-F404 WeakPolarHBondContact O-CE2 3.44Å; D402-F404 PolarHBondContact O-N 3.47Å; F404-R429 PolarHBondContact O-NH1 2.87Å
405	L	80.9	Confident	85.1	Confident	100 Å²	100	65.3 Å²	65.3	52%	0.524	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-8.4	-176.8	-71.9	176	0	0	0	113.7	D403 Q407 R422	D403-L405 PolarHBondContact O-N 2.95Å; D403-L405 VanDerWaalsContact O-N 3.09Å; L405-Q407 HydrophobicContact CB-CG 4.01Å; L405-R422 PolarHBondContact O-NH2 2.77Å
406	L	84.1	Confident	84.9	Confident	6 Å²	6	65.9 Å²	65.9	3%	0.031	39%	0.386	C	S	.	.			trans	61.7	39.2	-172.6	-73.3	78.6	0	0	0	112.9	Q382 D403 H408 Y409 L418 R422	Q382-L406 HydrophobicContact CB-CD2 4.26Å; D403-L406 PolarHBondContact O-N 2.84Å; D403-L406 VanDerWaalsContact O-N 3.1Å; D403-L406 WeakPolarHBondContact OD1-CA 3.44Å; D403-L406 PolarHBondContact OD1-N 3.2Å; D403-L406 VanDerWaalsContact OD2-C 3.24Å; D403-L406 VanDerWaalsContact OD2-CA 3.25Å; D403-L406 WeakPolarHBondContact OD2-CA 3.39Å; L406-H408 PolarHBondContact O-N 2.92Å; L406-Y409 HydrophobicContact CB-CD2 4.01Å; L406-Y409 HydrophobicContact CD2-CD2 4.2Å; L406-Y409 HydrophobicContact CD2-CE2 4.16Å; L406-Y409 HydrophobicContact CG-CD2 4.38Å; L406-Y409 HydrophobicContact CG-CE2 4.5Å; L406-Y409 PolarHBondContact O-N 2.86Å; L406-L418 HydrophobicContact CD2-CD1 3.53Å; L406-L418 HydrophobicContact CD2-CD2 3.67Å; L406-L418 HydrophobicContact CD2-CG 4.26Å; L406-R422 PolarHBondContact O-NH1 3.33Å; L406-R422 PolarHBondContact O-NH2 2.95Å
407	Q	86	Confident	84.8	Confident	121 Å²	121	67.9 Å²	67.9	57%	0.565	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-60.9	-23.9	174.7	-68.8	-179.2	-1.5	0	0	112.7	D403 L405 Y409 D410	D403-Q407 VanDerWaalsContact CG-N 3.3Å; D403-Q407 PolarHBondContact OD1-N 2.89Å; D403-Q407 PolarHBondContact OD2-N 2.91Å; L405-Q407 HydrophobicContact CB-CG 4.01Å; Q407-Y409 PolarHBondContact O-N 2.74Å; Q407-Y409 VanDerWaalsContact O-N 3.1Å; Q407-D410 WeakPolarHBondContact CA-OD2 3.35Å; Q407-D410 WeakPolarHBondContact O-CB 3.46Å; Q407-D410 PolarHBondContact O-N 2.8Å
408	H	88.9	Confident	84.7	Confident	45 Å²	45	67 Å²	67	21%	0.208	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-55.2	-23.4	170.1	-175.6	85.1	0	0	0	114.1	C393 C396 L400 D403 L406 C414	C393-H408 PolarHBondContact SG-NE2 2.91Å; C396-H408 PolarHBondContact SG-CE1 3.35Å; C396-H408 PolarHBondContact SG-NE2 2.71Å; L400-H408 HydrophobicContact CD2-CB 3.62Å; D403-H408 WeakPolarHBondContact OD2-CB 3.49Å; D403-H408 PolarHBondContact OD2-N 3.26Å; L406-H408 PolarHBondContact O-N 2.92Å; H408-C414 WeakPolarHBondContact NE2-CB 3.25Å; H408-C414 PolarHBondContact NE2-SG 3.49Å; H408-C414 VanDerWaalsContact NE2-SG 3.35Å
409	Y	88.7	Confident	84.3	Confident	5 Å²	5	66.6 Å²	66.6	2%	0.02	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-101.3	0.9	177	-60.5	-91.1	0	0	0	113.3	A381 Q382 C393 L400 L406 Q407 C414 K415 G416 L418	A381-Y409 HydrophobicContact CB-CE1 3.97Å; A381-Y409 PolarHBondContact O-OH 2.69Å; Q382-Y409 PolarHBondContact N-OH 3.45Å; C393-Y409 WeakPolarHBondContact CA-OH 3.26Å; C393-Y409 WeakPolarHBondContact CB-OH 3.28Å; C393-Y409 PolarHBondContact SG-OH 3.35Å; L400-Y409 HydrophobicContact CD1-CE2 3.77Å; L400-Y409 HydrophobicContact CD2-CE2 4.29Å; L406-Y409 HydrophobicContact CB-CD2 4.01Å; L406-Y409 HydrophobicContact CD2-CD2 4.2Å; L406-Y409 HydrophobicContact CD2-CE2 4.16Å; L406-Y409 HydrophobicContact CG-CD2 4.38Å; L406-Y409 HydrophobicContact CG-CE2 4.5Å; L406-Y409 PolarHBondContact O-N 2.86Å; Q407-Y409 PolarHBondContact O-N 2.74Å; Q407-Y409 VanDerWaalsContact O-N 3.1Å; Y409-C414 HydrophobicContact CD1-CB 4.39Å; Y409-C414 WeakPolarHBondContact CD1-O 3.23Å; Y409-K415 WeakPolarHBondContact O-CA 3.46Å; Y409-G416 PolarHBondContact O-N 3.37Å; Y409-L418 HydrophobicContact CD1-CB 3.79Å; Y409-L418 HydrophobicContact CD1-CD1 4.23Å; Y409-L418 HydrophobicContact CD2-CD1 3.99Å; Y409-L418 HydrophobicContact CE1-CB 4.29Å; Y409-L418 HydrophobicContact CE1-CD1 4.07Å; Y409-L418 HydrophobicContact CE2-CD1 3.81Å; Y409-L418 HydrophobicContact CG-CB 3.93Å; Y409-L418 HydrophobicContact CG-CD1 4.17Å; Y409-L418 HydrophobicContact CG-CG 4.45Å
410	D	86.3	Confident	83.7	Confident	68 Å²	68	67.2 Å²	67.2	36%	0.364	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-28.8	170.8	-71.4	-48.6	0	0	0	112.4	Q407 K415 R422	Q407-D410 WeakPolarHBondContact CA-OD2 3.35Å; Q407-D410 WeakPolarHBondContact O-CB 3.46Å; Q407-D410 PolarHBondContact O-N 2.8Å; D410-K415 VanDerWaalsContact O-CD 3.31Å; D410-K415 WeakPolarHBondContact O-CD 3.49Å; D410-K415 WeakPolarHBondContact O-CE 3.44Å; D410-K415 VanDerWaalsContact O-CG 3.29Å; D410-K415 WeakPolarHBondContact O-CG 3.5Å; D410-K415 PolarHBondContact O-NZ 3.13Å; D410-R422 IonicContact OD1-CZ 2.71Å; D410-R422 IonicContact OD1-NH1 3.87Å; D410-R422 PolarHBondContact OD1-NH1 3.48Å; D410-R422 IonicContact OD1-NH2 3.77Å; D410-R422 IonicContact OD2-CZ 3.71Å; D410-R422 IonicContact OD2-NH1 2.84Å; D410-R422 PolarHBondContact OD2-NH1 2.68Å; D410-R422 IonicContact OD2-NH2 2.67Å; D410-R422 PolarHBondContact OD2-NH2 3.37Å
411	D	81	Confident	82.8	Confident	112 Å²	112	70.9 Å²	70.9	60%	0.599	42%	0.417	S	S	*	.	S	Bend	trans	-143.7	166.2	-176	-82.5	-44.6	0	0	0	114.2	K415	D411-K415 IonicContact OD1-NZ 2.69Å; D411-K415 PolarHBondContact OD1-NZ 2.74Å
412	G	83	Confident	82.2	Confident	60 Å²	60	70.9 Å²	70.9	62%	0.619	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	72.2	-162.8	179.2	0	0	0	0	0	114.7	C414 K415	G412-C414 PolarHBondContact O-N 3.22Å; G412-K415 VanDerWaalsContact O-CB 3.26Å; G412-K415 WeakPolarHBondContact O-CB 3.37Å; G412-K415 PolarHBondContact O-N 2.95Å; G412-K415 VanDerWaalsContact O-N 3.08Å
413	A	82.8	Confident	81.6	Confident	88 Å²	88	67.6 Å²	67.6	73%	0.727	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-67	-9.2	-171	0	0	0	0	0	115.3	K417	A413-K417 WeakPolarHBondContact O-CE 3.38Å; A413-K417 PolarHBondContact O-NZ 3.06Å
414	C	87.2	Confident	81.1	Confident	7 Å²	7	70.2 Å²	70.2	5%	0.047	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-106.2	1.5	176.9	-62.5	0	0	0	0	113.6	C393 H408 Y409 G412 G416 K417	C393-C414 VanDerWaalsContact SG-SG 3.69Å; H408-C414 WeakPolarHBondContact NE2-CB 3.25Å; H408-C414 PolarHBondContact NE2-SG 3.49Å; H408-C414 VanDerWaalsContact NE2-SG 3.35Å; Y409-C414 HydrophobicContact CD1-CB 4.39Å; Y409-C414 WeakPolarHBondContact CD1-O 3.23Å; G412-C414 PolarHBondContact O-N 3.22Å; C414-G416 PolarHBondContact O-N 3.28Å; C414-K417 WeakPolarHBondContact O-CB 3.27Å; C414-K417 PolarHBondContact O-N 3.5Å; C414-K417 VanDerWaalsContact O-N 3.08Å
415	K	86.4	Confident	80.7	Confident	124 Å²	124	65.3 Å²	65.3	54%	0.539	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	126.8	179.5	-172.8	170.1	-170.7	109.4	0	111.8	Y409 D410 D411 G412 K417	Y409-K415 WeakPolarHBondContact O-CA 3.46Å; D410-K415 VanDerWaalsContact O-CD 3.31Å; D410-K415 WeakPolarHBondContact O-CD 3.49Å; D410-K415 WeakPolarHBondContact O-CE 3.44Å; D410-K415 VanDerWaalsContact O-CG 3.29Å; D410-K415 WeakPolarHBondContact O-CG 3.5Å; D410-K415 PolarHBondContact O-NZ 3.13Å; D411-K415 IonicContact OD1-NZ 2.69Å; D411-K415 PolarHBondContact OD1-NZ 2.74Å; G412-K415 VanDerWaalsContact O-CB 3.26Å; G412-K415 WeakPolarHBondContact O-CB 3.37Å; G412-K415 PolarHBondContact O-N 2.95Å; G412-K415 VanDerWaalsContact O-N 3.08Å; K415-K417 PolarHBondContact O-N 2.96Å; K415-K417 VanDerWaalsContact O-N 3.12Å
416	G	82.8	Confident	80.5	Confident	65 Å²	65	64.5 Å²	64.5	67%	0.67	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	-13.9	179	0	0	0	0	0	116.7	Y409 C414 L418	Y409-G416 PolarHBondContact O-N 3.37Å; C414-G416 PolarHBondContact O-N 3.28Å; G416-L418 PolarHBondContact O-N 3.03Å
417	K	84	Confident	80.3	Confident	95 Å²	95	66 Å²	66	41%	0.413	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	15.7	-171.7	-60.3	-175.9	-180	163.8	0	115.4	A381 Y395 A413 C414 K415 G419	A381-K417 WeakPolarHBondContact CB-O 3.42Å; Y395-K417 HydrophobicContact CD1-CD 4.45Å; Y395-K417 HydrophobicContact CD2-CB 3.88Å; Y395-K417 HydrophobicContact CD2-CD 3.98Å; Y395-K417 HydrophobicContact CE2-CB 3.65Å; Y395-K417 HydrophobicContact CE2-CD 4.11Å; Y395-K417 HydrophobicContact CE2-CG 4.45Å; Y395-K417 HydrophobicContact CG-CD 4.18Å; A413-K417 WeakPolarHBondContact O-CE 3.38Å; A413-K417 PolarHBondContact O-NZ 3.06Å; C414-K417 WeakPolarHBondContact O-CB 3.27Å; C414-K417 PolarHBondContact O-N 3.5Å; C414-K417 VanDerWaalsContact O-N 3.08Å; K415-K417 PolarHBondContact O-N 2.96Å; K415-K417 VanDerWaalsContact O-N 3.12Å; K417-G419 PolarHBondContact O-N 3.26Å
418	L	83.4	Confident	80	Confident	8 Å²	8	66.1 Å²	66.1	4%	0.042	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-27.1	-171	-177.3	55.5	0	0	0	114	C380 A381 Q382 L406 Y409 G416 H420 R422	C380-L418 WeakPolarHBondContact CA-O 3.43Å; C380-L418 PolarHBondContact SG-O 3.09Å; C380-L418 VanDerWaalsContact SG-O 3.38Å; A381-L418 PolarHBondContact N-O 2.85Å; A381-L418 VanDerWaalsContact N-O 3.11Å; Q382-L418 HydrophobicContact CB-CD1 4.03Å; L406-L418 HydrophobicContact CD2-CD1 3.53Å; L406-L418 HydrophobicContact CD2-CD2 3.67Å; L406-L418 HydrophobicContact CD2-CG 4.26Å; Y409-L418 HydrophobicContact CD1-CB 3.79Å; Y409-L418 HydrophobicContact CD1-CD1 4.23Å; Y409-L418 HydrophobicContact CD2-CD1 3.99Å; Y409-L418 HydrophobicContact CE1-CB 4.29Å; Y409-L418 HydrophobicContact CE1-CD1 4.07Å; Y409-L418 HydrophobicContact CE2-CD1 3.81Å; Y409-L418 HydrophobicContact CG-CB 3.93Å; Y409-L418 HydrophobicContact CG-CD1 4.17Å; Y409-L418 HydrophobicContact CG-CG 4.45Å; G416-L418 PolarHBondContact O-N 3.03Å; L418-H420 VanDerWaalsContact C-N 3.33Å; L418-H420 PolarHBondContact O-N 3.47Å; L418-R422 HydrophobicContact CD2-CG 3.47Å; L418-R422 VanDerWaalsContact CD2-CG 3.47Å
419	G	76.5	Confident	79.7	Confident	61 Å²	61	69 Å²	69	63%	0.629	43%	0.427	S	S	*	.			trans	77.2	5.7	174.2	0	0	0	0	0	116.3	K417	K417-G419 PolarHBondContact O-N 3.26Å
420	H	75.2	Confident	79.6	Confident	64 Å²	64	73.1 Å²	73.1	30%	0.296	45%	0.453	S	S	.	.	S	Bend	trans	-153.9	164.1	172.2	74	-79.1	0	0	0	111.8	C380 L418 R422 V425	C380-H420 PolarHBondContact SG-CE1 3.29Å; C380-H420 PolarHBondContact SG-ND1 3.44Å; L418-H420 VanDerWaalsContact C-N 3.33Å; L418-H420 PolarHBondContact O-N 3.47Å; H420-R422 PolarHBondContact O-N 2.9Å; H420-V425 VanDerWaalsContact NE2-CG2 3.28Å; H420-V425 WeakPolarHBondContact NE2-CG2 3.46Å
421	S	71.7	Confident	79.9	Confident	83 Å²	83	77.1 Å²	77.1	58%	0.58	46%	0.464	S	S	*	.			trans	-74.8	119.1	175.1	-178.6	0	0	0	0	111.7	A423 S424	S421-A423 PolarHBondContact O-N 3.48Å; S421-S424 WeakPolarHBondContact O-CB 3.3Å; S421-S424 PolarHBondContact O-N 3.32Å
422	R	71.4	Confident	80.3	Confident	67 Å²	67	74.3 Å²	74.3	25%	0.253	45%	0.451	S	S	.	.	H	α-helix	trans	-55.3	-25.3	178.6	-67.8	165	80.8	160.9	-9.5	113.2	L405 L406 D410 L418 H420 S424 V425 I426	L405-R422 PolarHBondContact O-NH2 2.77Å; L406-R422 PolarHBondContact O-NH1 3.33Å; L406-R422 PolarHBondContact O-NH2 2.95Å; D410-R422 IonicContact OD1-CZ 2.71Å; D410-R422 IonicContact OD1-NH1 3.87Å; D410-R422 PolarHBondContact OD1-NH1 3.48Å; D410-R422 IonicContact OD1-NH2 3.77Å; D410-R422 IonicContact OD2-CZ 3.71Å; D410-R422 IonicContact OD2-NH1 2.84Å; D410-R422 PolarHBondContact OD2-NH1 2.68Å; D410-R422 IonicContact OD2-NH2 2.67Å; D410-R422 PolarHBondContact OD2-NH2 3.37Å; L418-R422 HydrophobicContact CD2-CG 3.47Å; L418-R422 VanDerWaalsContact CD2-CG 3.47Å; H420-R422 PolarHBondContact O-N 2.9Å; R422-S424 PolarHBondContact O-N 3.07Å; R422-V425 PolarHBondContact O-N 3.07Å; R422-I426 HydrophobicContact CB-CD1 4.24Å; R422-I426 WeakPolarHBondContact O-CB 3.5Å; R422-I426 WeakPolarHBondContact O-CG1 3.47Å; R422-I426 PolarHBondContact O-N 2.88Å
423	A	71	Confident	80.7	Confident	70 Å²	70	75.8 Å²	75.8	58%	0.579	45%	0.447	S	S	*	.	H	α-helix	trans	-56.8	-29.6	174.9	0	0	0	0	0	113	S421 G427	S421-A423 PolarHBondContact O-N 3.48Å; A423-G427 WeakPolarHBondContact O-CA 3.41Å; A423-G427 PolarHBondContact O-N 2.93Å
424	S	72.1	Confident	81.2	Confident	84 Å²	84	74.4 Å²	74.4	59%	0.587	43%	0.433	S	S	*	.	H	α-helix	trans	-70	-49.3	176.7	-177.3	0	0	0	0	112.1	S421 R422 G427 H428	S421-S424 WeakPolarHBondContact O-CB 3.3Å; S421-S424 PolarHBondContact O-N 3.32Å; R422-S424 PolarHBondContact O-N 3.07Å; S424-G427 PolarHBondContact O-N 2.72Å; S424-H428 WeakPolarHBondContact O-CB 3.36Å; S424-H428 PolarHBondContact O-N 2.66Å
425	V	70.6	Confident	81.5	Confident	39 Å²	39	77.2 Å²	77.2	24%	0.236	45%	0.449	C	S	.	.	H	α-helix	trans	-68.3	-40.9	179.1	172.8	0	0	0	0	111.6	H420 R422 R429	H420-V425 VanDerWaalsContact NE2-CG2 3.28Å; H420-V425 WeakPolarHBondContact NE2-CG2 3.46Å; R422-V425 PolarHBondContact O-N 3.07Å; V425-R429 WeakPolarHBondContact O-CB 3.38Å; V425-R429 VanDerWaalsContact O-CG 3.29Å; V425-R429 WeakPolarHBondContact O-CG 3.33Å; V425-R429 PolarHBondContact O-N 2.87Å; V425-R429 VanDerWaalsContact O-N 3.09Å
426	I	78.2	Confident	81.9	Confident	82 Å²	82	77.6 Å²	77.6	42%	0.421	45%	0.451	S	S	.	.	H	α-helix	trans	-65.1	-47.5	174.7	-64.7	168.4	0	0	0	109.8	R422 H428 R429 V430	R422-I426 HydrophobicContact CB-CD1 4.24Å; R422-I426 WeakPolarHBondContact O-CB 3.5Å; R422-I426 WeakPolarHBondContact O-CG1 3.47Å; R422-I426 PolarHBondContact O-N 2.88Å; I426-H428 PolarHBondContact O-N 2.69Å; I426-R429 PolarHBondContact O-N 3.03Å; I426-V430 HydrophobicContact CG2-CG2 4.18Å; I426-V430 WeakPolarHBondContact O-CB 3.46Å; I426-V430 VanDerWaalsContact O-CG2 3.32Å; I426-V430 WeakPolarHBondContact O-CG2 3.38Å; I426-V430 PolarHBondContact O-N 3.27Å
427	G	79.5	Confident	82.5	Confident	37 Å²	37	77.8 Å²	77.8	38%	0.381	44%	0.439	S	S	.	.	H	α-helix	trans	-59.1	-46.2	178.6	0	0	0	0	0	112.9	A423 S424 R429 V430 Y431	A423-G427 WeakPolarHBondContact O-CA 3.41Å; A423-G427 PolarHBondContact O-N 2.93Å; S424-G427 PolarHBondContact O-N 2.72Å; G427-R429 PolarHBondContact O-N 2.67Å; G427-V430 PolarHBondContact O-N 3.05Å; G427-Y431 VanDerWaalsContact O-CB 3.24Å; G427-Y431 WeakPolarHBondContact O-CB 3.29Å; G427-Y431 PolarHBondContact O-N 2.95Å
428	H	79	Confident	83.1	Confident	124 Å²	124	75 Å²	75	57%	0.574	44%	0.438	S	S	*	.	H	α-helix	trans	-62.1	-42.1	175.5	-174.8	-75.9	0	0	0	112.1	S424 I426 Y431 V432	S424-H428 WeakPolarHBondContact O-CB 3.36Å; S424-H428 PolarHBondContact O-N 2.66Å; I426-H428 PolarHBondContact O-N 2.69Å; H428-Y431 PolarHBondContact O-N 2.81Å; H428-V432 WeakPolarHBondContact O-CG2 3.39Å; H428-V432 PolarHBondContact O-N 3.09Å
429	R	82.8	Confident	83.6	Confident	106 Å²	106	78.8 Å²	78.8	40%	0.4	46%	0.458	S	S	.	.	H	α-helix	trans	-66.6	-43.6	176.9	-73.4	174.7	177	-175.4	2.3	112.2	F404 V425 I426 G427 Y431 V432 V433	F404-R429 PolarHBondContact O-NH1 2.87Å; V425-R429 WeakPolarHBondContact O-CB 3.38Å; V425-R429 VanDerWaalsContact O-CG 3.29Å; V425-R429 WeakPolarHBondContact O-CG 3.33Å; V425-R429 PolarHBondContact O-N 2.87Å; V425-R429 VanDerWaalsContact O-N 3.09Å; I426-R429 PolarHBondContact O-N 3.03Å; G427-R429 PolarHBondContact O-N 2.67Å; R429-Y431 VanDerWaalsContact C-N 3.35Å; R429-V432 PolarHBondContact O-N 2.87Å; R429-V433 WeakPolarHBondContact O-CB 3.44Å; R429-V433 WeakPolarHBondContact O-CG2 3.36Å; R429-V433 PolarHBondContact O-N 2.93Å
430	V	87.6	Confident	84.5	Confident	91 Å²	91	80 Å²	80	55%	0.552	45%	0.453	S	S	*	.	H	α-helix	trans	-63.7	-40.5	175.8	170.4	0	0	0	0	110.9	I426 G427 V433 S434	I426-V430 HydrophobicContact CG2-CG2 4.18Å; I426-V430 WeakPolarHBondContact O-CB 3.46Å; I426-V430 VanDerWaalsContact O-CG2 3.32Å; I426-V430 WeakPolarHBondContact O-CG2 3.38Å; I426-V430 PolarHBondContact O-N 3.27Å; G427-V430 PolarHBondContact O-N 3.05Å; V430-V433 PolarHBondContact O-N 3.1Å; V430-S434 VanDerWaalsContact O-CB 3.31Å; V430-S434 WeakPolarHBondContact O-CB 3.43Å; V430-S434 PolarHBondContact O-N 2.96Å; V430-S434 PolarHBondContact O-OG 2.95Å
431	Y	90.9	Very high	85.5	Confident	152 Å²	152	82 Å²	82	60%	0.596	47%	0.465	S	S	*	.	H	α-helix	trans	-62.8	-48	174.7	173.6	-100.3	0	0	0	112.3	G427 H428 R429 V433 S434 V435	G427-Y431 VanDerWaalsContact O-CB 3.24Å; G427-Y431 WeakPolarHBondContact O-CB 3.29Å; G427-Y431 PolarHBondContact O-N 2.95Å; H428-Y431 PolarHBondContact O-N 2.81Å; R429-Y431 VanDerWaalsContact C-N 3.35Å; Y431-V433 VanDerWaalsContact C-N 3.33Å; Y431-V433 PolarHBondContact O-N 2.67Å; Y431-S434 PolarHBondContact O-N 2.93Å; Y431-S434 PolarHBondContact O-OG 3.04Å; Y431-S434 VanDerWaalsContact O-OG 3.12Å; Y431-V435 HydrophobicContact CD1-CG2 4.45Å; Y431-V435 HydrophobicContact CD2-CG2 4.17Å; Y431-V435 HydrophobicContact CE1-CG2 4.06Å; Y431-V435 HydrophobicContact CE2-CG2 3.75Å; Y431-V435 WeakPolarHBondContact O-CB 3.41Å; Y431-V435 VanDerWaalsContact O-CG2 3.3Å; Y431-V435 WeakPolarHBondContact O-CG2 3.26Å; Y431-V435 PolarHBondContact O-N 3.04Å
432	V	91	Very high	86.6	Confident	53 Å²	53	83.4 Å²	83.4	32%	0.321	47%	0.465	S	S	.	.	H	α-helix	trans	-61	-43.7	176.9	169.5	0	0	0	0	110.8	H428 R429 F436	H428-V432 WeakPolarHBondContact O-CG2 3.39Å; H428-V432 PolarHBondContact O-N 3.09Å; R429-V432 PolarHBondContact O-N 2.87Å; V432-F436 HydrophobicContact CG1-CD2 3.81Å; V432-F436 HydrophobicContact CG1-CE2 3.71Å; V432-F436 WeakPolarHBondContact O-CD2 3.22Å; V432-F436 PolarHBondContact O-N 2.99Å; V432-F436 VanDerWaalsContact O-N 3.1Å
433	V	91.6	Very high	87.8	Confident	91 Å²	91	85 Å²	85	55%	0.552	48%	0.478	S	S	*	.	H	α-helix	trans	-64.6	-43.3	176	171.8	0	0	0	0	111.5	R429 V430 Y431 F436 T437	R429-V433 WeakPolarHBondContact O-CB 3.44Å; R429-V433 WeakPolarHBondContact O-CG2 3.36Å; R429-V433 PolarHBondContact O-N 2.93Å; V430-V433 PolarHBondContact O-N 3.1Å; Y431-V433 VanDerWaalsContact C-N 3.33Å; Y431-V433 PolarHBondContact O-N 2.67Å; V433-F436 PolarHBondContact O-N 2.98Å; V433-T437 HydrophobicContact CG1-CG2 4.3Å; V433-T437 WeakPolarHBondContact O-CG2 3.49Å; V433-T437 PolarHBondContact O-N 2.98Å; V433-T437 PolarHBondContact O-OG1 3.18Å
434	S	92.3	Very high	89	Confident	60 Å²	60	88 Å²	88	42%	0.42	48%	0.484	S	S	.	.	H	α-helix	trans	-71.3	-30.2	-178.7	70.6	0	0	0	0	113.4	V430 Y431 T437 G438	V430-S434 VanDerWaalsContact O-CB 3.31Å; V430-S434 WeakPolarHBondContact O-CB 3.43Å; V430-S434 PolarHBondContact O-N 2.96Å; V430-S434 PolarHBondContact O-OG 2.95Å; Y431-S434 PolarHBondContact O-N 2.93Å; Y431-S434 PolarHBondContact O-OG 3.04Å; Y431-S434 VanDerWaalsContact O-OG 3.12Å; S434-T437 WeakPolarHBondContact CA-OG1 3.24Å; S434-T437 PolarHBondContact O-OG1 3.5Å; S434-G438 WeakPolarHBondContact O-CA 3.33Å; S434-G438 PolarHBondContact O-N 2.93Å
435	V	94.3	Very high	90.1	Very high	65 Å²	65	87.9 Å²	87.9	39%	0.394	48%	0.479	S	S	.	.	H	α-helix	trans	-66.3	-44.8	169.3	169.3	0	0	0	0	110.5	Y431 L439	Y431-V435 HydrophobicContact CD1-CG2 4.45Å; Y431-V435 HydrophobicContact CD2-CG2 4.17Å; Y431-V435 HydrophobicContact CE1-CG2 4.06Å; Y431-V435 HydrophobicContact CE2-CG2 3.75Å; Y431-V435 WeakPolarHBondContact O-CB 3.41Å; Y431-V435 VanDerWaalsContact O-CG2 3.3Å; Y431-V435 WeakPolarHBondContact O-CG2 3.26Å; Y431-V435 PolarHBondContact O-N 3.04Å; V435-L439 VanDerWaalsContact O-CB 3.22Å; V435-L439 WeakPolarHBondContact O-CB 3.34Å; V435-L439 PolarHBondContact O-N 3.28Å
436	F	94.4	Very high	91.3	Very high	133 Å²	133	87.2 Å²	87.2	58%	0.583	48%	0.478	S	S	*	.	H	α-helix	trans	-68.6	-42	177.8	-79	-58.7	0	0	0	113.3	V432 V433 T440	V432-F436 HydrophobicContact CG1-CD2 3.81Å; V432-F436 HydrophobicContact CG1-CE2 3.71Å; V432-F436 WeakPolarHBondContact O-CD2 3.22Å; V432-F436 PolarHBondContact O-N 2.99Å; V432-F436 VanDerWaalsContact O-N 3.1Å; V433-F436 PolarHBondContact O-N 2.98Å; F436-T440 WeakPolarHBondContact O-CG2 3.2Å; F436-T440 PolarHBondContact O-N 2.73Å; F436-T440 PolarHBondContact O-OG1 2.92Å
437	T	94.9	Very high	92.1	Very high	68 Å²	68	85.4 Å²	85.4	42%	0.417	48%	0.476	S	S	.	.	H	α-helix	trans	-71	-38	175.7	57.5	0	0	0	0	111.9	V433 S434 T440 I441	V433-T437 HydrophobicContact CG1-CG2 4.3Å; V433-T437 WeakPolarHBondContact O-CG2 3.49Å; V433-T437 PolarHBondContact O-N 2.98Å; V433-T437 PolarHBondContact O-OG1 3.18Å; S434-T437 WeakPolarHBondContact CA-OG1 3.24Å; S434-T437 PolarHBondContact O-OG1 3.5Å; T437-T440 PolarHBondContact O-N 3.33Å; T437-T440 PolarHBondContact O-OG1 3.45Å; T437-I441 VanDerWaalsContact O-CB 3.31Å; T437-I441 WeakPolarHBondContact O-CB 3.25Å; T437-I441 WeakPolarHBondContact O-CD1 3.3Å; T437-I441 WeakPolarHBondContact O-CG1 3.38Å; T437-I441 PolarHBondContact O-N 3.42Å
438	G	95.8	Very high	92.9	Very high	38 Å²	38	87.3 Å²	87.3	39%	0.392	48%	0.481	S	S	.	.	H	α-helix	trans	-60.9	-45	173.6	0	0	0	0	0	112.2	S434 L442	S434-G438 WeakPolarHBondContact O-CA 3.33Å; S434-G438 PolarHBondContact O-N 2.93Å; G438-L442 WeakPolarHBondContact O-CB 3.35Å; G438-L442 PolarHBondContact O-N 2.98Å
439	L	95.2	Very high	93.6	Very high	87 Å²	87	88.5 Å²	88.5	46%	0.455	49%	0.485	S	S	.	.	H	α-helix	trans	-68.2	-41.1	177.5	-177.8	60.5	0	0	0	112.5	V435 L442 L443	V435-L439 VanDerWaalsContact O-CB 3.22Å; V435-L439 WeakPolarHBondContact O-CB 3.34Å; V435-L439 PolarHBondContact O-N 3.28Å; L439-L442 PolarHBondContact O-N 3.04Å; L439-L443 HydrophobicContact CD1-CD1 4.13Å; L439-L443 HydrophobicContact CD1-CG 4.19Å; L439-L443 HydrophobicContact CG-CD1 4.03Å; L439-L443 WeakPolarHBondContact O-CB 3.49Å; L439-L443 VanDerWaalsContact O-CG 3.27Å; L439-L443 WeakPolarHBondContact O-CG 3.45Å; L439-L443 PolarHBondContact O-N 3.37Å
440	T	95.1	Very high	94.1	Very high	87 Å²	87	87.8 Å²	87.8	53%	0.534	49%	0.488	S	S	.	.	H	α-helix	trans	-69.8	-37.9	177.4	53	0	0	0	0	112.4	F436 T437 L443 L444	F436-T440 WeakPolarHBondContact O-CG2 3.2Å; F436-T440 PolarHBondContact O-N 2.73Å; F436-T440 PolarHBondContact O-OG1 2.92Å; T437-T440 PolarHBondContact O-N 3.33Å; T437-T440 PolarHBondContact O-OG1 3.45Å; T440-L443 PolarHBondContact O-N 2.98Å; T440-L444 VanDerWaalsContact O-CB 3.27Å; T440-L444 WeakPolarHBondContact O-CB 3.25Å; T440-L444 PolarHBondContact O-N 3.21Å
441	I	96.5	Very high	94.4	Very high	106 Å²	106	90.2 Å²	90.2	54%	0.544	50%	0.495	S	S	.	.	H	α-helix	trans	-64.2	-45.6	172	-68.6	166.2	0	0	0	110.4	T437 L443 L444 V445	T437-I441 VanDerWaalsContact O-CB 3.31Å; T437-I441 WeakPolarHBondContact O-CB 3.25Å; T437-I441 WeakPolarHBondContact O-CD1 3.3Å; T437-I441 WeakPolarHBondContact O-CG1 3.38Å; T437-I441 PolarHBondContact O-N 3.42Å; I441-L443 PolarHBondContact O-N 3.21Å; I441-L444 PolarHBondContact O-N 2.76Å; I441-V445 HydrophobicContact CG2-CG2 4.36Å; I441-V445 WeakPolarHBondContact O-CB 3.33Å; I441-V445 WeakPolarHBondContact O-CG2 3.49Å; I441-V445 PolarHBondContact O-N 3.11Å
442	L	95.5	Very high	94.6	Very high	111 Å²	111	87.9 Å²	87.9	58%	0.581	50%	0.497	S	S	*	.	H	α-helix	trans	-59.9	-44.5	177.4	178.3	61.8	0	0	0	111.7	G438 L439 V445 A446	G438-L442 WeakPolarHBondContact O-CB 3.35Å; G438-L442 PolarHBondContact O-N 2.98Å; L439-L442 PolarHBondContact O-N 3.04Å; L442-V445 PolarHBondContact O-N 3.27Å; L442-A446 WeakPolarHBondContact O-CB 3.45Å; L442-A446 PolarHBondContact O-N 3.38Å
443	L	95.2	Very high	94.7	Very high	101 Å²	101	87.3 Å²	87.3	53%	0.529	50%	0.497	S	S	.	.	H	α-helix	trans	-65.9	-40.6	176.7	-73.7	169.8	0	0	0	112.2	L439 T440 I441 A446 A447	L439-L443 HydrophobicContact CD1-CD1 4.13Å; L439-L443 HydrophobicContact CD1-CG 4.19Å; L439-L443 HydrophobicContact CG-CD1 4.03Å; L439-L443 WeakPolarHBondContact O-CB 3.49Å; L439-L443 VanDerWaalsContact O-CG 3.27Å; L439-L443 WeakPolarHBondContact O-CG 3.45Å; L439-L443 PolarHBondContact O-N 3.37Å; T440-L443 PolarHBondContact O-N 2.98Å; I441-L443 PolarHBondContact O-N 3.21Å; L443-A446 PolarHBondContact O-N 2.87Å; L443-A447 VanDerWaalsContact O-CB 3.28Å; L443-A447 WeakPolarHBondContact O-CB 3.45Å; L443-A447 PolarHBondContact O-N 3.07Å
444	L	95.8	Very high	94.8	Very high	133 Å²	133	86.3 Å²	86.3	70%	0.696	49%	0.491	S	S	*	.	H	α-helix	trans	-63.9	-43.7	177.1	-168.6	161.6	0	0	0	111.3	T440 I441 P448	T440-L444 VanDerWaalsContact O-CB 3.27Å; T440-L444 WeakPolarHBondContact O-CB 3.25Å; T440-L444 PolarHBondContact O-N 3.21Å; I441-L444 PolarHBondContact O-N 2.76Å; L444-P448 VanDerWaalsContact O-CD 3.27Å; L444-P448 WeakPolarHBondContact O-CD 2.94Å
445	V	96	Very high	94.8	Very high	81 Å²	81	87 Å²	87	49%	0.491	50%	0.495	S	S	.	.	H	α-helix	trans	-69.3	-39.5	176	172.7	0	0	0	0	111.6	I441 L442 P448 F449	I441-V445 HydrophobicContact CG2-CG2 4.36Å; I441-V445 WeakPolarHBondContact O-CB 3.33Å; I441-V445 WeakPolarHBondContact O-CG2 3.49Å; I441-V445 PolarHBondContact O-N 3.11Å; L442-V445 PolarHBondContact O-N 3.27Å; V445-P448 WeakPolarHBondContact O-CD 3.44Å; V445-P448 WeakPolarHBondContact O-CG 3.44Å; V445-F449 HydrophobicContact CG1-CE2 4.37Å; V445-F449 WeakPolarHBondContact O-CD2 3.2Å; V445-F449 WeakPolarHBondContact O-CE2 3.36Å
446	A	95.3	Very high	94.8	Very high	26 Å²	26	87.8 Å²	87.8	22%	0.215	50%	0.502	C	S	.	.	H	α-helix	trans	-75	-30.8	-178.7	0	0	0	0	0	113.5	L442 L443 F449 I450	L442-A446 WeakPolarHBondContact O-CB 3.45Å; L442-A446 PolarHBondContact O-N 3.38Å; L443-A446 PolarHBondContact O-N 2.87Å; A446-F449 PolarHBondContact O-N 2.89Å; A446-F449 VanDerWaalsContact O-N 3.08Å; A446-I450 HydrophobicContact CB-CD1 3.92Å; A446-I450 WeakPolarHBondContact O-CG1 3.42Å; A446-I450 PolarHBondContact O-N 3.37Å
447	A	95.7	Very high	94.8	Very high	44 Å²	44	85.9 Å²	85.9	36%	0.364	50%	0.497	S	S	.	.	H	α-helix	trans	-48.3	-52.7	-178.3	0	0	0	0	0	114.4	L443 F449 I450 M451	L443-A447 VanDerWaalsContact O-CB 3.28Å; L443-A447 WeakPolarHBondContact O-CB 3.45Å; L443-A447 PolarHBondContact O-N 3.07Å; A447-F449 PolarHBondContact O-N 3.2Å; A447-I450 PolarHBondContact O-N 3.26Å; A447-M451 WeakPolarHBondContact O-CB 3.15Å; A447-M451 VanDerWaalsContact O-CG 3.24Å; A447-M451 WeakPolarHBondContact O-CG 3.17Å; A447-M451 PolarHBondContact O-N 2.91Å
448	P	95.1	Very high	94.7	Very high	77 Å²	77	87.2 Å²	87.2	50%	0.5	50%	0.5	S	S	.	.	H	α-helix	trans	-61.3	-39.6	177.6	23.2	-34.4	0	0	0	113.1	L444 V445 M451 V452	L444-P448 VanDerWaalsContact O-CD 3.27Å; L444-P448 WeakPolarHBondContact O-CD 2.94Å; V445-P448 WeakPolarHBondContact O-CD 3.44Å; V445-P448 WeakPolarHBondContact O-CG 3.44Å; P448-M451 PolarHBondContact O-N 2.93Å; P448-V452 WeakPolarHBondContact O-CG2 3.49Å; P448-V452 PolarHBondContact O-N 3.21Å; P448-V452 VanDerWaalsContact O-N 3.17Å
449	F	94.5	Very high	94.6	Very high	148 Å²	148	89.4 Å²	89.4	65%	0.649	51%	0.509	S	S	*	.	H	α-helix	trans	-66.6	-40.6	176.8	-62	-75	0	0	0	111.9	V445 A446 A447 V452 A453	V445-F449 HydrophobicContact CG1-CE2 4.37Å; V445-F449 WeakPolarHBondContact O-CD2 3.2Å; V445-F449 WeakPolarHBondContact O-CE2 3.36Å; A446-F449 PolarHBondContact O-N 2.89Å; A446-F449 VanDerWaalsContact O-N 3.08Å; A447-F449 PolarHBondContact O-N 3.2Å; F449-V452 PolarHBondContact O-N 3.38Å; F449-A453 WeakPolarHBondContact O-CB 3.29Å; F449-A453 PolarHBondContact O-N 2.84Å
450	I	94.2	Very high	94.5	Very high	92 Å²	92	87.5 Å²	87.5	47%	0.472	51%	0.506	S	S	.	.	H	α-helix	trans	-65.3	-44.2	176.8	-67.6	167.9	0	0	0	110.5	A446 A447 V452 A453 V454	A446-I450 HydrophobicContact CB-CD1 3.92Å; A446-I450 WeakPolarHBondContact O-CG1 3.42Å; A446-I450 PolarHBondContact O-N 3.37Å; A447-I450 PolarHBondContact O-N 3.26Å; I450-V452 VanDerWaalsContact C-N 3.26Å; I450-V452 PolarHBondContact O-N 3.3Å; I450-A453 PolarHBondContact O-N 3.35Å; I450-V454 HydrophobicContact CG2-CG2 3.87Å; I450-V454 WeakPolarHBondContact O-CB 3.34Å; I450-V454 WeakPolarHBondContact O-CG2 3.46Å; I450-V454 PolarHBondContact O-N 2.94Å
451	M	94.2	Very high	94.3	Very high	142 Å²	142	89.9 Å²	89.9	70%	0.7	51%	0.508	S	S	*	.	H	α-helix	trans	-61.9	-30.7	178.7	-73.6	-64.4	-68.5	0	0	113.2	A447 P448 P455	A447-M451 WeakPolarHBondContact O-CB 3.15Å; A447-M451 VanDerWaalsContact O-CG 3.24Å; A447-M451 WeakPolarHBondContact O-CG 3.17Å; A447-M451 PolarHBondContact O-N 2.91Å; P448-M451 PolarHBondContact O-N 2.93Å; M451-P455 WeakPolarHBondContact O-CD 3.45Å; M451-P455 WeakPolarHBondContact O-CG 3.45Å
452	V	93.9	Very high	94.1	Very high	103 Å²	103	88.3 Å²	88.3	62%	0.624	51%	0.506	S	S	*	.	H	α-helix	trans	-85.5	-41.4	173.2	176.3	0	0	0	0	111.8	P448 F449 I450 C456	P448-V452 WeakPolarHBondContact O-CG2 3.49Å; P448-V452 PolarHBondContact O-N 3.21Å; P448-V452 VanDerWaalsContact O-N 3.17Å; F449-V452 PolarHBondContact O-N 3.38Å; I450-V452 VanDerWaalsContact C-N 3.26Å; I450-V452 PolarHBondContact O-N 3.3Å; V452-C456 PolarHBondContact O-N 3.42Å; V452-C456 PolarHBondContact O-SG 3.35Å
453	A	92.8	Very high	93.9	Very high	40 Å²	40	87.3 Å²	87.3	33%	0.331	50%	0.498	S	S	.	.	H	α-helix	trans	-70.7	-38.8	-175.1	0	0	0	0	0	113.1	F449 I450 C456 I457	F449-A453 WeakPolarHBondContact O-CB 3.29Å; F449-A453 PolarHBondContact O-N 2.84Å; I450-A453 PolarHBondContact O-N 3.35Å; A453-C456 PolarHBondContact O-N 2.9Å; A453-I457 HydrophobicContact CB-CD1 4.27Å; A453-I457 WeakPolarHBondContact O-CB 3.48Å; A453-I457 WeakPolarHBondContact O-CD1 3.24Å; A453-I457 WeakPolarHBondContact O-CG1 3.26Å; A453-I457 PolarHBondContact O-N 3.19Å
454	V	94	Very high	93.6	Very high	71 Å²	71	91.3 Å²	91.3	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-62.8	-51.1	-176.6	168.4	0	0	0	0	112	I450 C456 I457 I458	I450-V454 HydrophobicContact CG2-CG2 3.87Å; I450-V454 WeakPolarHBondContact O-CB 3.34Å; I450-V454 WeakPolarHBondContact O-CG2 3.46Å; I450-V454 PolarHBondContact O-N 2.94Å; V454-C456 VanDerWaalsContact C-N 3.33Å; V454-C456 PolarHBondContact O-N 2.89Å; V454-I457 PolarHBondContact O-N 2.99Å; V454-I458 HydrophobicContact CG1-CD1 3.68Å; V454-I458 HydrophobicContact CG1-CG1 4.46Å; V454-I458 WeakPolarHBondContact O-CB 3.31Å; V454-I458 VanDerWaalsContact O-CG1 3.28Å; V454-I458 WeakPolarHBondContact O-CG1 3.24Å; V454-I458 PolarHBondContact O-N 3.33Å
455	P	93.5	Very high	93.3	Very high	75 Å²	75	90.2 Å²	90.2	49%	0.487	50%	0.5	S	S	.	.	H	α-helix	trans	-58	-41.4	172.9	-25.9	35.7	0	0	0	113.2	M451 I458 C459	M451-P455 WeakPolarHBondContact O-CD 3.45Å; M451-P455 WeakPolarHBondContact O-CG 3.45Å; P455-I458 PolarHBondContact O-N 3.34Å; P455-C459 VanDerWaalsContact O-CB 3.24Å; P455-C459 WeakPolarHBondContact O-CB 3.36Å; P455-C459 PolarHBondContact O-N 3.41Å
456	C	94.3	Very high	92.8	Very high	80 Å²	80	93.4 Å²	93.4	54%	0.541	51%	0.505	S	S	.	.	H	α-helix	trans	-63.5	-43.2	177.8	-72.9	0	0	0	0	112.6	V452 A453 V454 C459 A460	V452-C456 PolarHBondContact O-N 3.42Å; V452-C456 PolarHBondContact O-SG 3.35Å; A453-C456 PolarHBondContact O-N 2.9Å; V454-C456 VanDerWaalsContact C-N 3.33Å; V454-C456 PolarHBondContact O-N 2.89Å; C456-C459 PolarHBondContact O-N 2.95Å; C456-A460 VanDerWaalsContact O-CB 3.29Å; C456-A460 WeakPolarHBondContact O-CB 3.43Å; C456-A460 PolarHBondContact O-N 3.1Å
457	I	93	Very high	92.4	Very high	94 Å²	94	99.6 Å²	99.6	48%	0.482	52%	0.523	S	S	.	.	H	α-helix	trans	-68.7	-40.1	177.9	-69.3	164	0	0	0	110.9	A453 V454 A460 K461	A453-I457 HydrophobicContact CB-CD1 4.27Å; A453-I457 WeakPolarHBondContact O-CB 3.48Å; A453-I457 WeakPolarHBondContact O-CD1 3.24Å; A453-I457 WeakPolarHBondContact O-CG1 3.26Å; A453-I457 PolarHBondContact O-N 3.19Å; V454-I457 PolarHBondContact O-N 2.99Å; I457-A460 PolarHBondContact O-N 2.71Å; I457-K461 HydrophobicContact CG2-CD 4.47Å; I457-K461 WeakPolarHBondContact O-CB 3.42Å; I457-K461 WeakPolarHBondContact O-CG 3.26Å; I457-K461 PolarHBondContact O-N 3.04Å
458	I	93.1	Very high	91.8	Very high	96 Å²	96	102.8 Å²	102.8	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-62.4	-51.5	174.1	-69.2	167.5	0	0	0	109.7	V454 P455 A460 K461 C462	V454-I458 HydrophobicContact CG1-CD1 3.68Å; V454-I458 HydrophobicContact CG1-CG1 4.46Å; V454-I458 WeakPolarHBondContact O-CB 3.31Å; V454-I458 VanDerWaalsContact O-CG1 3.28Å; V454-I458 WeakPolarHBondContact O-CG1 3.24Å; V454-I458 PolarHBondContact O-N 3.33Å; P455-I458 PolarHBondContact O-N 3.34Å; I458-A460 VanDerWaalsContact C-N 3.32Å; I458-A460 PolarHBondContact O-N 2.97Å; I458-K461 PolarHBondContact O-N 2.9Å; I458-K461 VanDerWaalsContact O-N 3.12Å; I458-C462 WeakPolarHBondContact O-CB 3.46Å; I458-C462 PolarHBondContact O-N 3.47Å; I458-C462 PolarHBondContact O-SG 3.35Å
459	C	93.7	Very high	91.1	Very high	84 Å²	84	105.2 Å²	105.2	57%	0.568	53%	0.534	S	S	*	.	H	α-helix	trans	-56.9	-44.1	177.4	-175.2	0	0	0	0	111.9	P455 C456 K461 C462 H463	P455-C459 VanDerWaalsContact O-CB 3.24Å; P455-C459 WeakPolarHBondContact O-CB 3.36Å; P455-C459 PolarHBondContact O-N 3.41Å; C456-C459 PolarHBondContact O-N 2.95Å; C459-K461 PolarHBondContact O-N 3.32Å; C459-C462 PolarHBondContact O-N 2.99Å; C459-H463 VanDerWaalsContact O-CB 3.29Å; C459-H463 WeakPolarHBondContact O-CB 3.45Å; C459-H463 PolarHBondContact O-N 3.45Å
460	A	92.4	Very high	90.5	Very high	47 Å²	47	105 Å²	105	39%	0.388	53%	0.529	S	S	.	.	H	α-helix	trans	-63.2	-40.4	176.1	0	0	0	0	0	112.9	C456 I457 I458 R464	C456-A460 VanDerWaalsContact O-CB 3.29Å; C456-A460 WeakPolarHBondContact O-CB 3.43Å; C456-A460 PolarHBondContact O-N 3.1Å; I457-A460 PolarHBondContact O-N 2.71Å; I458-A460 VanDerWaalsContact C-N 3.32Å; I458-A460 PolarHBondContact O-N 2.97Å; A460-R464 WeakPolarHBondContact O-CB 3.4Å; A460-R464 WeakPolarHBondContact O-CG 3.26Å; A460-R464 PolarHBondContact O-N 2.67Å
461	K	91.5	Very high	89.7	Confident	137 Å²	137	105.1 Å²	105.1	60%	0.596	53%	0.53	S	S	*	.	H	α-helix	trans	-66.5	-47.7	173.7	-77.3	-177.9	177.2	-177.9	0	111.5	I457 I458 C459 H463 R464 L465	I457-K461 HydrophobicContact CG2-CD 4.47Å; I457-K461 WeakPolarHBondContact O-CB 3.42Å; I457-K461 WeakPolarHBondContact O-CG 3.26Å; I457-K461 PolarHBondContact O-N 3.04Å; I458-K461 PolarHBondContact O-N 2.9Å; I458-K461 VanDerWaalsContact O-N 3.12Å; C459-K461 PolarHBondContact O-N 3.32Å; K461-H463 VanDerWaalsContact C-N 3.35Å; K461-H463 PolarHBondContact O-N 3.06Å; K461-R464 PolarHBondContact O-N 3.34Å; K461-L465 WeakPolarHBondContact O-CG 3.44Å; K461-L465 PolarHBondContact O-N 2.97Å
462	C	91.8	Very high	88.8	Confident	72 Å²	72	107.2 Å²	107.2	49%	0.486	53%	0.53	S	S	.	.	H	α-helix	trans	-59.1	-42.7	176.7	-68.9	0	0	0	0	112	I458 C459 L465 Y466	I458-C462 WeakPolarHBondContact O-CB 3.46Å; I458-C462 PolarHBondContact O-N 3.47Å; I458-C462 PolarHBondContact O-SG 3.35Å; C459-C462 PolarHBondContact O-N 2.99Å; C462-L465 PolarHBondContact O-N 3.14Å; C462-Y466 VanDerWaalsContact O-CB 3.25Å; C462-Y466 WeakPolarHBondContact O-CB 3.48Å; C462-Y466 PolarHBondContact O-N 3.31Å
463	H	91.2	Very high	87.8	Confident	91 Å²	91	107.8 Å²	107.8	42%	0.421	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-38.5	175.3	174.9	-134.7	0	0	0	112.6	C459 K461 R467	C459-H463 VanDerWaalsContact O-CB 3.29Å; C459-H463 WeakPolarHBondContact O-CB 3.45Å; C459-H463 PolarHBondContact O-N 3.45Å; K461-H463 VanDerWaalsContact C-N 3.35Å; K461-H463 PolarHBondContact O-N 3.06Å; H463-R467 PolarHBondContact CE1-NE 3.23Å; H463-R467 PolarHBondContact CE1-NH2 3.3Å; H463-R467 PolarHBondContact NE2-NE 3.29Å; H463-R467 PolarHBondContact NE2-NH2 3.5Å; H463-R467 WeakPolarHBondContact O-CB 3.34Å; H463-R467 WeakPolarHBondContact O-CG 3.29Å; H463-R467 PolarHBondContact O-N 3.26Å
464	R	89.9	Confident	86.4	Confident	185 Å²	185	112.5 Å²	112.5	70%	0.698	53%	0.534	S	S	*	.	H	α-helix	trans	-63.7	-46.2	172.5	-76.2	179.2	-177.1	-147.3	2.3	111.8	A460 K461 R467 Q468	A460-R464 WeakPolarHBondContact O-CB 3.4Å; A460-R464 WeakPolarHBondContact O-CG 3.26Å; A460-R464 PolarHBondContact O-N 2.67Å; K461-R464 PolarHBondContact O-N 3.34Å; R464-R467 PolarHBondContact O-N 2.87Å; R464-Q468 WeakPolarHBondContact O-CG 3.12Å; R464-Q468 PolarHBondContact O-N 2.96Å
465	L	88.4	Confident	84.9	Confident	110 Å²	110	116.7 Å²	116.7	58%	0.576	55%	0.548	S	S	*	.	H	α-helix	trans	-63.4	-42.3	176.2	-70.3	173	0	0	0	111.7	K461 C462 Q468 H469	K461-L465 WeakPolarHBondContact O-CG 3.44Å; K461-L465 PolarHBondContact O-N 2.97Å; C462-L465 PolarHBondContact O-N 3.14Å; L465-Q468 PolarHBondContact O-N 2.8Å; L465-H469 WeakPolarHBondContact O-CB 3.2Å; L465-H469 PolarHBondContact O-N 3.38Å
466	Y	86.8	Confident	83.4	Confident	147 Å²	147	117.7 Å²	117.7	58%	0.576	56%	0.557	S	S	*	*	H	α-helix	trans	-62.6	-42.3	175	178.4	-112.5	0	0	0	112	C462 H469 R470	C462-Y466 VanDerWaalsContact O-CB 3.25Å; C462-Y466 WeakPolarHBondContact O-CB 3.48Å; C462-Y466 PolarHBondContact O-N 3.31Å; Y466-H469 PolarHBondContact O-N 3.44Å; Y466-R470 VanDerWaalsContact O-CB 3.25Å; Y466-R470 WeakPolarHBondContact O-CB 3.31Å; Y466-R470 PolarHBondContact O-N 3.26Å
467	R	86.6	Confident	81.7	Confident	157 Å²	157	119.5 Å²	119.5	59%	0.592	56%	0.557	S	S	*	*	H	α-helix	trans	-61.9	-46.5	172.1	-77.7	-170.4	-178.4	-150.8	0.4	111.9	H463 R464 H469 R470 L471	H463-R467 PolarHBondContact CE1-NE 3.23Å; H463-R467 PolarHBondContact CE1-NH2 3.3Å; H463-R467 PolarHBondContact NE2-NE 3.29Å; H463-R467 PolarHBondContact NE2-NH2 3.5Å; H463-R467 WeakPolarHBondContact O-CB 3.34Å; H463-R467 WeakPolarHBondContact O-CG 3.29Å; H463-R467 PolarHBondContact O-N 3.26Å; R464-R467 PolarHBondContact O-N 2.87Å; R467-H469 PolarHBondContact O-N 3.38Å; R467-R470 PolarHBondContact O-N 3.44Å; R467-L471 WeakPolarHBondContact O-CB 3.06Å; R467-L471 VanDerWaalsContact O-CG 3.31Å; R467-L471 WeakPolarHBondContact O-CG 3.42Å; R467-L471 PolarHBondContact O-N 3.13Å
468	Q	83.5	Confident	79.6	Confident	110 Å²	110	117.1 Å²	117.1	51%	0.514	56%	0.556	S	S	.	*	H	α-helix	trans	-61.4	-42	177	-76.2	178.6	-20.4	0	0	112	R464 L465 L471 R472	R464-Q468 WeakPolarHBondContact O-CG 3.12Å; R464-Q468 PolarHBondContact O-N 2.96Å; L465-Q468 PolarHBondContact O-N 2.8Å; Q468-L471 PolarHBondContact O-N 2.83Å; Q468-R472 WeakPolarHBondContact O-CB 3.27Å; Q468-R472 WeakPolarHBondContact O-CG 3.35Å; Q468-R472 PolarHBondContact O-N 2.85Å
469	H	79.9	Confident	77.6	Confident	128 Å²	128	116.6 Å²	116.6	59%	0.593	55%	0.554	S	S	*	*	H	α-helix	trans	-67.5	-40.7	176.5	-166.5	-97.2	0	0	0	111.9	L465 Y466 R467 L471 R472 K473	L465-H469 WeakPolarHBondContact O-CB 3.2Å; L465-H469 PolarHBondContact O-N 3.38Å; Y466-H469 PolarHBondContact O-N 3.44Å; R467-H469 PolarHBondContact O-N 3.38Å; H469-L471 VanDerWaalsContact C-N 3.35Å; H469-L471 PolarHBondContact O-N 3.48Å; H469-R472 PolarHBondContact O-N 3.1Å; H469-K473 VanDerWaalsContact O-CB 3.32Å; H469-K473 WeakPolarHBondContact O-CB 3.45Å; H469-K473 PolarHBondContact O-N 2.99Å
470	R	81.4	Confident	75.5	Confident	145 Å²	145	118.8 Å²	118.8	55%	0.547	55%	0.551	S	S	.	*	H	α-helix	trans	-65.5	-35.4	175.1	-168.4	177.8	-173.5	-159.5	2.9	112.3	Y466 R467 R474	Y466-R470 VanDerWaalsContact O-CB 3.25Å; Y466-R470 WeakPolarHBondContact O-CB 3.31Å; Y466-R470 PolarHBondContact O-N 3.26Å; R467-R470 PolarHBondContact O-N 3.44Å; R470-R474 PolarHBondContact O-N 3.43Å
471	L	77	Confident	73.5	Confident	93 Å²	93	122.2 Å²	122.2	49%	0.487	56%	0.56	S	S	.	*	H	α-helix	trans	-71.3	-49	173.1	-72.3	169.5	0	0	0	111.4	R467 Q468 H469 K473 R474 H475	R467-L471 WeakPolarHBondContact O-CB 3.06Å; R467-L471 VanDerWaalsContact O-CG 3.31Å; R467-L471 WeakPolarHBondContact O-CG 3.42Å; R467-L471 PolarHBondContact O-N 3.13Å; Q468-L471 PolarHBondContact O-N 2.83Å; H469-L471 VanDerWaalsContact C-N 3.35Å; H469-L471 PolarHBondContact O-N 3.48Å; L471-K473 VanDerWaalsContact C-N 3.26Å; L471-K473 PolarHBondContact O-N 2.76Å; L471-R474 WeakPolarHBondContact O-CB 3.49Å; L471-R474 PolarHBondContact O-N 3.39Å; L471-H475 PolarHBondContact O-CD2 2.88Å; L471-H475 VanDerWaalsContact O-CD2 3.26Å; L471-H475 PolarHBondContact O-N 2.91Å; L471-H475 VanDerWaalsContact O-N 3.09Å
472	R	75.9	Confident	71.7	Confident	187 Å²	187	120.2 Å²	120.2	71%	0.706	56%	0.559	S	S	*	*	H	α-helix	trans	-54.8	-41.9	173.9	-78	-179.5	176.4	-179.7	-0.9	111.8	Q468 H469 R474 H475 S476	Q468-R472 WeakPolarHBondContact O-CB 3.27Å; Q468-R472 WeakPolarHBondContact O-CG 3.35Å; Q468-R472 PolarHBondContact O-N 2.85Å; H469-R472 PolarHBondContact O-N 3.1Å; R472-R474 VanDerWaalsContact C-N 3.32Å; R472-R474 PolarHBondContact O-N 2.83Å; R472-H475 PolarHBondContact O-N 3.25Å; R472-S476 WeakPolarHBondContact O-CB 3.23Å; R472-S476 PolarHBondContact O-N 3.01Å; R472-S476 PolarHBondContact O-OG 3.36Å
473	K	74	Confident	69.7	Low	114 Å²	114	124.4 Å²	124.4	50%	0.496	58%	0.577	S	S	.	*	H	α-helix	trans	-64.9	-30.6	176.4	-169.2	168.6	-178.1	175.9	0	113.2	H469 L471 S476 Q477	H469-K473 VanDerWaalsContact O-CB 3.32Å; H469-K473 WeakPolarHBondContact O-CB 3.45Å; H469-K473 PolarHBondContact O-N 2.99Å; L471-K473 VanDerWaalsContact C-N 3.26Å; L471-K473 PolarHBondContact O-N 2.76Å; K473-S476 WeakPolarHBondContact CA-OG 3.29Å; K473-S476 PolarHBondContact O-OG 2.76Å; K473-Q477 HydrophobicContact CG-CG 4.41Å; K473-Q477 VanDerWaalsContact O-CB 3.28Å; K473-Q477 WeakPolarHBondContact O-CB 3.21Å; K473-Q477 WeakPolarHBondContact O-CG 3.34Å; K473-Q477 PolarHBondContact O-N 3.03Å; K473-Q477 PolarHBondContact O-OE1 2.93Å
474	R	63.1	Low	68.1	Low	140 Å²	140	123 Å²	123	53%	0.528	59%	0.588	S	S	.	*	H	α-helix	trans	-68.1	-45.7	170.3	-71.6	179.2	-179.7	-173.1	-2.1	111.8	R470 L471 R472 Q477	R470-R474 PolarHBondContact O-N 3.43Å; L471-R474 WeakPolarHBondContact O-CB 3.49Å; L471-R474 PolarHBondContact O-N 3.39Å; R472-R474 VanDerWaalsContact C-N 3.32Å; R472-R474 PolarHBondContact O-N 2.83Å; R474-Q477 PolarHBondContact O-N 2.84Å
475	H	61.8	Low	66.4	Low	159 Å²	159	123.6 Å²	123.6	74%	0.736	59%	0.59	S	S	*	*	H	α-helix	trans	-66.5	-37.2	178	-71.3	-75.3	0	0	0	112.5	L471 R472 Q477 G478	L471-H475 PolarHBondContact O-CD2 2.88Å; L471-H475 VanDerWaalsContact O-CD2 3.26Å; L471-H475 PolarHBondContact O-N 2.91Å; L471-H475 VanDerWaalsContact O-N 3.09Å; R472-H475 PolarHBondContact O-N 3.25Å; H475-Q477 VanDerWaalsContact C-N 3.25Å; H475-Q477 PolarHBondContact O-N 3.48Å; H475-G478 PolarHBondContact O-N 3.08Å
476	S	62.9	Low	64.7	Low	95 Å²	95	121.9 Å²	121.9	66%	0.664	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-6.8	175.5	77.1	0	0	0	0	114	R472 K473	R472-S476 WeakPolarHBondContact O-CB 3.23Å; R472-S476 PolarHBondContact O-N 3.01Å; R472-S476 PolarHBondContact O-OG 3.36Å; K473-S476 WeakPolarHBondContact CA-OG 3.29Å; K473-S476 PolarHBondContact O-OG 2.76Å
477	Q	57.8	Low	62.9	Low	118 Å²	118	119.7 Å²	119.7	55%	0.551	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	23.7	173.1	-70.9	-174.6	-65.4	0	0	112.1	K473 R474 H475 L479	K473-Q477 HydrophobicContact CG-CG 4.41Å; K473-Q477 VanDerWaalsContact O-CB 3.28Å; K473-Q477 WeakPolarHBondContact O-CB 3.21Å; K473-Q477 WeakPolarHBondContact O-CG 3.34Å; K473-Q477 PolarHBondContact O-N 3.03Å; K473-Q477 PolarHBondContact O-OE1 2.93Å; R474-Q477 PolarHBondContact O-N 2.84Å; H475-Q477 VanDerWaalsContact C-N 3.25Å; H475-Q477 PolarHBondContact O-N 3.48Å; Q477-L479 VanDerWaalsContact C-N 3.27Å; Q477-L479 PolarHBondContact O-N 2.65Å; Q477-L479 VanDerWaalsContact O-N 3.12Å
478	G	50.1	Low	60.9	Low	44 Å²	44	118.2 Å²	118.2	45%	0.454	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	72.9	5.1	160.8	0	0	0	0	0	117	H475 Y480	H475-G478 PolarHBondContact O-N 3.08Å; G478-Y480 VanDerWaalsContact O-CD1 3.22Å; G478-Y480 WeakPolarHBondContact O-CD1 3.24Å; G478-Y480 PolarHBondContact O-N 3.31Å
479	L	50.7	Low	59.4	Low	86 Å²	86	117.4 Å²	117.4	45%	0.45	59%	0.588	S	S	.	*			trans	-80.5	74.2	-172.6	-72.7	163.8	0	0	0	112.9	Q477 M481 V486	Q477-L479 VanDerWaalsContact C-N 3.27Å; Q477-L479 PolarHBondContact O-N 2.65Å; Q477-L479 VanDerWaalsContact O-N 3.12Å; L479-M481 PolarHBondContact O-N 3.12Å; L479-V486 HydrophobicContact CD2-CB 4.18Å; L479-V486 HydrophobicContact CD2-CG1 3.44Å; L479-V486 VanDerWaalsContact CD2-CG1 3.44Å; L479-V486 HydrophobicContact CD2-CG2 3.65Å
480	Y	49.8	Very low	57.5	Low	130 Å²	130	117.5 Å²	117.5	51%	0.51	60%	0.6	S	S	.	*			trans	-77.5	103.5	165.1	58.4	-86.7	0	0	0	110	G478 V482	G478-Y480 VanDerWaalsContact O-CD1 3.22Å; G478-Y480 WeakPolarHBondContact O-CD1 3.24Å; G478-Y480 PolarHBondContact O-N 3.31Å; Y480-V482 HydrophobicContact CD2-CG2 4.29Å; Y480-V482 PolarHBondContact O-N 2.86Å
481	M	50.1	Low	56	Low	119 Å²	119	116.8 Å²	116.8	59%	0.586	61%	0.611	S	S	*	*			trans	-79.1	103.6	175	-73.6	-73.3	-73.2	0	0	109.9	L479 V486	L479-M481 PolarHBondContact O-N 3.12Å; M481-V486 HydrophobicContact SD-CG2 3.6Å; M481-V486 VanDerWaalsContact SD-CG2 3.6Å
482	V	52.7	Low	54.3	Low	95 Å²	95	117.9 Å²	117.9	58%	0.576	62%	0.624	S	S	*	*	B	Isolated β-bridge	trans	-108.2	128.9	166.3	179.3	0	0	0	0	107.9	Y480 G484 R485	Y480-V482 HydrophobicContact CD2-CG2 4.29Å; Y480-V482 PolarHBondContact O-N 2.86Å; V482-G484 PolarHBondContact O-N 2.98Å; V482-G484 VanDerWaalsContact O-N 3.08Å; V482-R485 PolarHBondContact O-N 2.59Å
483	N	50.1	Low	52.5	Low	159 Å²	159	114.2 Å²	114.2	85%	0.85	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.6	39	176.9	-59.4	-10.2	0	0	0	114.7	R485	N483-R485 VanDerWaalsContact C-N 3.34Å; N483-R485 PolarHBondContact O-N 3.27Å
484	G	57.5	Low	50.9	Low	63 Å²	63	116 Å²	116	65%	0.649	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	77	8	172.8	0	0	0	0	0	116.1	V482	V482-G484 PolarHBondContact O-N 2.98Å; V482-G484 VanDerWaalsContact O-N 3.08Å
485	R	54.6	Low	50	Low	197 Å²	197	115 Å²	115	74%	0.743	65%	0.651	S	S	*	*	B	Isolated β-bridge	trans	-120	155.1	179.1	-65.9	-177.4	-178.9	166	1.3	112.3	V482 N483	V482-R485 PolarHBondContact O-N 2.59Å; N483-R485 VanDerWaalsContact C-N 3.34Å; N483-R485 PolarHBondContact O-N 3.27Å
486	V	51.8	Low	49.2	Very low	73 Å²	73	114.9 Å²	114.9	44%	0.442	65%	0.651	S	S	.	*			trans	-105.6	130.2	177.9	165.4	0	0	0	0	109.2	L479 M481 N488	L479-V486 HydrophobicContact CD2-CB 4.18Å; L479-V486 HydrophobicContact CD2-CG1 3.44Å; L479-V486 VanDerWaalsContact CD2-CG1 3.44Å; L479-V486 HydrophobicContact CD2-CG2 3.65Å; M481-V486 HydrophobicContact SD-CG2 3.6Å; M481-V486 VanDerWaalsContact SD-CG2 3.6Å; V486-N488 WeakPolarHBondContact CG1-OD1 3.26Å
487	L	49	Very low	48.1	Very low	102 Å²	102	116.4 Å²	116.4	53%	0.534	65%	0.652	S	S	.	*			trans	-119.2	132.4	165.5	-85.9	79.6	0	0	0	109.5
488	N	45.4	Very low	47.4	Very low	126 Å²	126	116.5 Å²	116.5	67%	0.674	66%	0.656	S	S	*	*			trans	-114.2	68.5	-178.4	-74.3	-7.4	0	0	0	111.1	V486	V486-N488 WeakPolarHBondContact CG1-OD1 3.26Å
489	T	52.3	Low	47.2	Very low	92 Å²	92	123.4 Å²	123.4	56%	0.564	67%	0.668	S	S	*	*			trans	-144.2	117.1	175.7	48.3	0	0	0	0	111.5
490	P	40.5	Very low	46.9	Very low	130 Å²	130	124.2 Å²	124.2	84%	0.844	68%	0.677	S	S	*	*			trans	-81.9	141.2	172.2	33.2	-32.5	0	0	0	111.3
491	V	49.5	Very low	46.5	Very low	130 Å²	130	124.8 Å²	124.8	79%	0.788	69%	0.689	S	S	*	*			trans	-129.1	132.2	172.6	-178.6	0	0	0	0	108.2
492	P	41.5	Very low	46.2	Very low	116 Å²	116	125.2 Å²	125.2	75%	0.753	70%	0.698	S	S	*	*			trans	-80.9	162.8	-174.9	32.6	-35.7	0	0	0	113.8
493	S	37.3	Very low	45.8	Very low	111 Å²	111	126.3 Å²	126.3	78%	0.776	71%	0.707	S	S	*	*			trans	-54.7	147.3	174.1	52.2	0	0	0	0	115.1
494	N	40.3	Very low	45.5	Very low	152 Å²	152	127.3 Å²	127.3	81%	0.813	71%	0.707	S	S	*	*				-175.8	-177.1	98.5	-156.4	-0.3	0	0	0	111.7
495	V	45.3	Very low	44.8	Very low	119 Å²	119	128.7 Å²	128.7	72%	0.721	71%	0.705	S	S	*	*			trans	86.4	90.5	162.1	-164.7	0	0	0	0	118.6
496	Q	44	Very low	44.2	Very low	156 Å²	156	126.2 Å²	126.2	73%	0.729	71%	0.711	S	S	*	*				58.2	138.7	117.8	-139.5	70.9	-8.2	0	0	123.5
497	N	40.5	Very low	43.4	Very low	127 Å²	127	128.9 Å²	128.9	68%	0.679	73%	0.728	S	S	*	*			trans	-28.4	155.9	157.8	-32.8	-21.4	0	0	0	114.7
498	D	42.5	Very low	43.2	Very low	119 Å²	119	129.8 Å²	129.8	64%	0.636	74%	0.743	S	S	*	*			cis	-170	-176.8	32.8	-144	10.4	0	0	0	108.2
499	R	44.9	Very low	42.7	Very low	190 Å²	190	130.4 Å²	130.4	72%	0.717	75%	0.751	S	S	*	*			cis	-165.7	160.3	2.1	-155.9	-179.6	179.1	84.7	-2.8	111.2
500	T	45.1	Very low	42.4	Very low	103 Å²	103	131.4 Å²	131.4	63%	0.632	76%	0.76	S	S	*	*			trans	58.3	138.6	148.6	30.5	0	0	0	0	124.7
501	D	42.6	Very low	42.5	Very low	142 Å²	142	133.6 Å²	133.6	76%	0.759	76%	0.758	S	S	*	*			trans	87.1	91.6	140.4	-56.3	-21.8	0	0	0	124.9
502	T	43.4	Very low	42.3	Very low	127 Å²	127	136.5 Å²	136.5	78%	0.779	76%	0.763	S	S	*	*			trans	-42	168	138.1	22.7	0	0	0	0	115.9
503	P	43.6	Very low	42.2	Very low	118 Å²	118	135.8 Å²	135.8	77%	0.766	76%	0.76	S	S	*	*			cis	-154.3	138.4	43.8	38.5	-14.3	0	0	0	122.3
504	Q	43.4	Very low	42.7	Very low	181 Å²	181	137.9 Å²	137.9	85%	0.846	76%	0.761	S	S	*	*				65.9	-175	125.7	-125	-155.3	-6.9	0	0	120.5
505	P	43.9	Very low	42.8	Very low	92 Å²	92	139.8 Å²	139.8	60%	0.597	76%	0.762	S	S	*	*				-133	-174.5	-114.6	46.3	-28.6	0	0	0	117.5
506	T	41.1	Very low	42.7	Very low	144 Å²	144	141.9 Å²	141.9	88%	0.883	77%	0.767	S	S	*	*			trans	-158.3	174.8	149.9	-3.1	0	0	0	0	113
507	T	36.2	Very low	43	Very low	130 Å²	130	140.2 Å²	140.2	80%	0.798	77%	0.769	S	S	*	*			trans	-125.8	153.5	-156	51.7	0	0	0	0	115.7
508	S	43.5	Very low	42.9	Very low	121 Å²	121	138.8 Å²	138.8	85%	0.846	77%	0.769	S	S	*	*			trans	-174.9	160	139.6	39.5	0	0	0	0	113.7
509	T	36.4	Very low	42.7	Very low	138 Å²	138	139.4 Å²	139.4	85%	0.847	78%	0.781	S	S	*	*			trans	-152	154.4	177.2	19.3	0	0	0	0	109.7
510	P	45.9	Very low	42.5	Very low	114 Å²	114	141.6 Å²	141.6	74%	0.74	79%	0.79	S	S	*	*				-151	147.7	122.6	33.6	-14.8	0	0	0	118
511	H	42	Very low	42.2	Very low	176 Å²	176	142.3 Å²	142.3	82%	0.815	80%	0.799	S	S	*	*			trans	25.3	131.4	143.4	-59	-81	0	0	0	123.8
512	H	45	Very low	41.9	Very low	191 Å²	191	141 Å²	141	88%	0.884	80%	0.801	S	S	*	*				-155.9	172.8	105.9	-116.2	-89.3	0	0	0	111
513	S	40.2	Very low	41.7	Very low	100 Å²	100	143 Å²	143	70%	0.699	81%	0.805	S	S	*	*			trans	-135	162.3	-160.1	56.9	0	0	0	0	115.1
514	I	46.1	Very low	41.5	Very low	155 Å²	155	143 Å²	143	80%	0.795	80%	0.802	S	S	*	*			trans	-171.5	125.5	144.9	-101.5	153	0	0	0	113.1
515	F	42.4	Very low	41.3	Very low	192 Å²	192	140.1 Å²	140.1	84%	0.842	80%	0.802	S	S	*	*			trans	53.3	129	156.4	-77	-103.7	0	0	0	125.3
516	M	44.8	Very low	41.6	Very low	164 Å²	164	142.2 Å²	142.2	81%	0.808	81%	0.813	S	S	*	*			trans	-135.5	167	148.3	-72.4	-160.2	79.9	0	0	108.8
517	P	48.7	Very low	41.4	Very low	120 Å²	120	141.6 Å²	141.6	78%	0.779	81%	0.805	S	S	*	*				-135.4	141.3	99.1	34.6	-22.6	0	0	0	112.1
518	S	40	Very low	41.6	Very low	97 Å²	97	143.5 Å²	143.5	68%	0.678	80%	0.804	S	S	*	*			cis	89.3	106.3	45.6	-171.7	0	0	0	0	113.7
519	C	38.6	Very low	41.2	Very low	133 Å²	133	148.1 Å²	148.1	90%	0.899	80%	0.803	S	S	*	*			trans	-160.4	142.4	141.3	-124.8	0	0	0	0	112.8
520	R	39	Very low	41.4	Very low	236 Å²	236	147.6 Å²	147.6	89%	0.891	80%	0.802	S	S	*	*			trans	-63.3	165.5	-174.8	-68.6	171.2	167.3	-176.1	-5.7	113.1
521	S	40	Very low	41.2	Very low	118 Å²	118	148.1 Å²	148.1	83%	0.825	80%	0.803	S	S	*	*			cis	-151.6	160	38	-60.8	0	0	0	0	115.7
522	S	36	Very low	41	Very low	114 Å²	114	146.6 Å²	146.6	80%	0.797	81%	0.806	S	S	*	*			trans	-95	160.6	-176.9	-18	0	0	0	0	113.6
523	I	38.1	Very low	40.7	Very low	169 Å²	169	146.6 Å²	146.6	87%	0.867	81%	0.806	S	S	*	*			trans	-156.7	151	135.7	-107.3	158.2	0	0	0	110.1
524	V	39.3	Very low	40.9	Very low	118 Å²	118	150.5 Å²	150.5	72%	0.715	81%	0.814	S	S	*	*			trans	-70	152.2	-172.8	179	0	0	0	0	112
525	S	39.4	Very low	40.4	Very low	121 Å²	121	150.8 Å²	150.8	85%	0.846	81%	0.809	S	S	*	*			trans	-138	148.3	154.4	-79	0	0	0	0	110.2
526	V	51.9	Low	40.5	Very low	136 Å²	136	145.9 Å²	145.9	82%	0.824	80%	0.804	S	S	*	*			trans	-99.2	142.1	-159.5	173.4	0	0	0	0	111.6
527	D	35	Very low	40.3	Very low	131 Å²	131	143.8 Å²	143.8	70%	0.701	80%	0.796	S	S	*	*			trans	-76.7	119.3	172.6	-146.3	-45.6	0	0	0	110.2
528	H	42.1	Very low	40.1	Very low	170 Å²	170	144.9 Å²	144.9	79%	0.787	79%	0.794	S	S	*	*				174.3	132.9	124.1	-90.1	-0.3	0	0	0	115.9
529	R	33.6	Very low	40.1	Very low	217 Å²	217	148.7 Å²	148.7	82%	0.819	80%	0.801	S	S	*	*			trans	63	90.1	139.9	-157.8	179.6	-157	173.9	6.7	119.4
530	P	42.2	Very low	40.2	Very low	128 Å²	128	152.5 Å²	152.5	83%	0.831	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-73.6	130.6	153.2	31.8	-31.8	0	0	0	110.5
531	T	40.5	Very low	40.8	Very low	125 Å²	125	146.2 Å²	146.2	77%	0.767	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-81.1	147.8	168.9	-57.8	0	0	0	0	109.9	E533	T531-E533 PolarHBondContact O-N 3.46Å
532	V	37.2	Very low	40.8	Very low	144 Å²	144	146.3 Å²	146.3	87%	0.873	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-68.6	117.6	176.2	179.3	0	0	0	0	109.7
533	E	38.8	Very low	40.7	Very low	190 Å²	190	152.5 Å²	152.5	89%	0.888	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-101.8	141.1	171.7	-165	167.4	-145.2	0	0	110.8	T531	T531-E533 PolarHBondContact O-N 3.46Å
534	Q	45.8	Very low	40.8	Very low	183 Å²	183	153.4 Å²	153.4	86%	0.855	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-91.5	142.5	-163.7	-149.4	168.1	-2.2	0	0	111.5	A536	Q534-A536 PolarHBondContact O-N 3.05Å
535	K	35.1	Very low	40.6	Very low	161 Å²	161	154.8 Å²	154.8	70%	0.7	79%	0.794	S	S	*	*			trans	-65.5	105.4	177.5	177.4	-179.9	173.7	-92.3	0	110.4	D537	K535-D537 WeakPolarHBondContact CE-OD1 3.26Å; K535-D537 IonicContact NZ-OD1 2.72Å; K535-D537 PolarHBondContact NZ-OD1 2.79Å; K535-D537 IonicContact NZ-OD2 2.68Å; K535-D537 PolarHBondContact NZ-OD2 2.96Å
536	A	43.8	Very low	40.3	Very low	88 Å²	88	156 Å²	156	73%	0.727	79%	0.786	S	S	*	*			trans	-89.2	117.2	170.2	0	0	0	0	0	110.5	Q534	Q534-A536 PolarHBondContact O-N 3.05Å
537	D	40.5	Very low	39.6	Very low	121 Å²	121	159.4 Å²	159.4	65%	0.647	79%	0.79	S	S	*	*			trans	-83.3	125.2	172.1	-72.6	-60.9	0	0	0	110.2	K535 H539	K535-D537 WeakPolarHBondContact CE-OD1 3.26Å; K535-D537 IonicContact NZ-OD1 2.72Å; K535-D537 PolarHBondContact NZ-OD1 2.79Å; K535-D537 IonicContact NZ-OD2 2.68Å; K535-D537 PolarHBondContact NZ-OD2 2.96Å; D537-H539 PolarHBondContact O-N 3.05Å
538	I	44.3	Very low	39.7	Very low	143 Å²	143	160.1 Å²	160.1	73%	0.733	79%	0.787	S	S	*	*			trans	-83.1	98	-173.9	-57.2	174.6	0	0	0	110	W540	I538-W540 HydrophobicContact CG2-CZ2 4.48Å
539	H	41.2	Very low	39.2	Very low	177 Å²	177	158 Å²	158	82%	0.819	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-91.1	117.1	170.7	-156.1	-58.9	0	0	0	110.5	D537	D537-H539 PolarHBondContact O-N 3.05Å
540	W	41	Very low	39.5	Very low	212 Å²	212	153.8 Å²	153.8	80%	0.803	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-81.4	134.5	173.1	-64.6	89.4	0	0	0	110.3	I538	I538-W540 HydrophobicContact CG2-CZ2 4.48Å
541	P	51.7	Low	39.3	Very low	104 Å²	104	153 Å²	153	68%	0.675	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-80.7	150.3	169	32.5	-33.2	0	0	0	111.1
542	P	39.5	Very low	39.5	Very low	121 Å²	121	152.6 Å²	152.6	79%	0.786	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-72.8	155.1	178	31.2	-35.3	0	0	0	112.3
543	W	34.6	Very low	39.6	Very low	243 Å²	243	156.5 Å²	156.5	92%	0.92	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-66.8	131.2	174.9	-81.1	41.4	0	0	0	111.9
544	Q	38.9	Very low	39.6	Very low	188 Å²	188	157.6 Å²	157.6	88%	0.879	79%	0.787	S	S	*	*			trans	-132	145.8	156.2	-75.5	-161.5	-21.5	0	0	110.5	E546	Q544-E546 PolarHBondContact O-N 2.58Å
545	N	34.7	Very low	39.2	Very low	148 Å²	148	153.6 Å²	153.6	79%	0.791	77%	0.774	S	S	*	*			trans	-90	100	-173.7	-67.1	-35.3	0	0	0	111.5
546	E	34.9	Very low	39.4	Very low	147 Å²	147	155 Å²	155	69%	0.687	79%	0.786	S	S	*	*			trans	-125.4	102.7	160.3	-85.8	-142.9	115.6	0	0	111	Q544 K548	Q544-E546 PolarHBondContact O-N 2.58Å; E546-K548 PolarHBondContact O-N 2.95Å; E546-K548 VanDerWaalsContact O-N 3.08Å; E546-K548 IonicContact OE1-NZ 3.14Å; E546-K548 PolarHBondContact OE1-NZ 3.29Å; E546-K548 IonicContact OE2-NZ 2.66Å; E546-K548 PolarHBondContact OE2-NZ 2.69Å
547	F	37.3	Very low	39.1	Very low	206 Å²	206	159.1 Å²	159.1	90%	0.904	79%	0.79	S	S	*	*			trans	-77.9	85.8	168.3	-96.7	-89.5	0	0	0	110.5
548	K	35.3	Very low	38.9	Very low	146 Å²	146	164.6 Å²	164.6	64%	0.635	80%	0.801	S	S	*	*			trans	-115.6	95.1	170.2	-99.6	169.8	-173.9	140.3	0	111.3	E546 T550	E546-K548 PolarHBondContact O-N 2.95Å; E546-K548 VanDerWaalsContact O-N 3.08Å; E546-K548 IonicContact OE1-NZ 3.14Å; E546-K548 PolarHBondContact OE1-NZ 3.29Å; E546-K548 IonicContact OE2-NZ 2.66Å; E546-K548 PolarHBondContact OE2-NZ 2.69Å; K548-T550 PolarHBondContact O-N 3.08Å
549	C	31.7	Very low	38.6	Very low	127 Å²	127	162.6 Å²	162.6	86%	0.858	80%	0.8	S	S	*	*			trans	-78	83.9	177.5	-67.3	0	0	0	0	112.1
550	T	39.9	Very low	38.3	Very low	127 Å²	127	166 Å²	166	78%	0.779	81%	0.805	S	S	*	*			trans	-99	108	168.9	50	0	0	0	0	111.4	K548	K548-T550 PolarHBondContact O-N 3.08Å
551	S	39.3	Very low	38.2	Very low	111 Å²	111	161.4 Å²	161.4	78%	0.776	81%	0.806	S	S	*	*			trans	-80.1	129.9	177.3	178.4	0	0	0	0	112.2	R553	S551-R553 PolarHBondContact O-N 3.06Å
552	P	45.2	Very low	37.5	Very low	117 Å²	117	162.3 Å²	162.3	76%	0.76	81%	0.809	S	S	*	*			trans	-78.6	111.2	171.4	31	-31.8	0	0	0	110.8	K554	P552-K554 PolarHBondContact O-N 3.25Å
553	R	38	Very low	37.5	Very low	227 Å²	227	161.9 Å²	161.9	86%	0.857	81%	0.806	S	S	*	*			trans	-57.5	124.6	168.2	-78.5	178.6	169.5	171.2	-3.8	110.5	S551 V555	S551-R553 PolarHBondContact O-N 3.06Å; R553-V555 HydrophobicContact CB-CG2 4.33Å
554	K	38.6	Very low	37.5	Very low	213 Å²	213	156.7 Å²	156.7	93%	0.926	80%	0.796	S	S	*	*			trans	-102	98.4	148.7	-83.9	-170.7	173.4	-178.3	0	108.9	P552	P552-K554 PolarHBondContact O-N 3.25Å
555	V	37.5	Very low	37.5	Very low	98 Å²	98	158.6 Å²	158.6	59%	0.594	80%	0.797	S	S	*	*			trans	-80.7	134.7	167.7	179.1	0	0	0	0	108	R553	R553-V555 HydrophobicContact CB-CG2 4.33Å
556	M	39.8	Very low	37.3	Very low	191 Å²	191	157.1 Å²	157.1	94%	0.941	80%	0.797	S	S	*	*			trans	-126.8	91.9	173.7	-153.7	165.2	-170.2	0	0	108.9
557	H	37.1	Very low	37.3	Very low	175 Å²	175	156.4 Å²	156.4	81%	0.81	81%	0.807	S	S	*	*			trans	-73.4	136.9	173.4	-84.3	-89.2	0	0	0	110.4
558	R	37.2	Very low	37.2	Very low	236 Å²	236	152.7 Å²	152.7	89%	0.891	80%	0.801	S	S	*	*			trans	-145.1	104.6	150.6	-159	154	-166.3	-178	3.9	112.8
559	S	37.7	Very low	37.4	Very low	100 Å²	100	151.9 Å²	151.9	70%	0.699	81%	0.808	S	S	*	*			trans	31.3	128.8	150.8	55.8	0	0	0	0	121.5
560	R	34	Very low	37.6	Very low	248 Å²	248	150.7 Å²	150.7	94%	0.936	80%	0.799	S	S	*	*			trans	-51.1	146.5	161.9	-58.6	166.9	171.3	170.6	-6.2	113.4
561	S	40.1	Very low	37.3	Very low	117 Å²	117	151.6 Å²	151.6	82%	0.818	80%	0.798	S	S	*	*				-155.8	148.4	128.3	52.7	0	0	0	0	110.4
562	V	35.9	Very low	37.2	Very low	122 Å²	122	153.1 Å²	153.1	74%	0.739	80%	0.798	S	S	*	*			trans	-140.7	143.6	172	176.8	0	0	0	0	105.9
563	P	39.9	Very low	36.7	Very low	112 Å²	112	152.2 Å²	152.2	73%	0.727	79%	0.794	S	S	*	*			trans	-135.1	138.2	133.5	34.4	-23	0	0	0	112.6
564	D	34	Very low	36.6	Very low	134 Å²	134	148.4 Å²	148.4	72%	0.717	79%	0.79	S	S	*	*			trans	-72.1	150.8	165.6	-51.5	-89	0	0	0	111.1
565	Y	39.4	Very low	36.3	Very low	228 Å²	228	145.1 Å²	145.1	89%	0.894	78%	0.781	S	S	*	*			trans	-146.2	119.3	151.2	-91.3	-70.2	0	0	0	110.8
566	C	31.4	Very low	36.4	Very low	118 Å²	118	148.2 Å²	148.2	80%	0.797	79%	0.793	S	S	*	*			trans	-99.8	141.1	174.6	-63.6	0	0	0	0	110.6
567	C	34.8	Very low	36.1	Very low	132 Å²	132	145 Å²	145	89%	0.892	78%	0.784	S	S	*	*			trans	-138	108.1	161	-77	0	0	0	0	110.9
568	T	34.9	Very low	36.2	Very low	128 Å²	128	141.2 Å²	141.2	79%	0.785	78%	0.777	S	S	*	*			trans	-74.4	176.2	147.6	41.6	0	0	0	0	108.1
569	V	38.3	Very low	36.3	Very low	129 Å²	129	137.8 Å²	137.8	78%	0.782	77%	0.771	S	S	*	*			cis	-152.8	-152.9	44.8	-148.3	0	0	0	0	110.5
570	P	37	Very low	36.3	Very low	101 Å²	101	138.1 Å²	138.1	66%	0.656	77%	0.769	S	S	*	*				-127	-177.4	-120.6	46.2	-28.6	0	0	0	119
571	L	32.9	Very low	37.2	Very low	147 Å²	147	135.9 Å²	135.9	77%	0.77	79%	0.786	S	S	*	*			trans	18.7	130.4	147.7	-81.1	79	0	0	0	121
572	N	37.6	Very low	37.1	Very low	142 Å²	142	136.8 Å²	136.8	76%	0.759	79%	0.785	S	S	*	*				177.4	150.2	98.2	-100.7	-29.4	0	0	0	115.5
573	S	34.4	Very low	37.1	Very low	99 Å²	99	137.6 Å²	137.6	69%	0.692	79%	0.787	S	S	*	*			trans	46.8	139.4	143.7	68.6	0	0	0	0	121.9
574	L	35.2	Very low	37	Very low	146 Å²	146	139 Å²	139	76%	0.764	79%	0.791	S	S	*	*			cis	-141.9	150.7	3.6	-80.4	111.5	0	0	0	108.4
575	I	33.5	Very low	37.1	Very low	144 Å²	144	139.3 Å²	139.3	74%	0.738	80%	0.795	S	S	*	*				47	116	82.8	-42.2	177.2	0	0	0	111.8
576	I	38.4	Very low	37	Very low	163 Å²	163	133.8 Å²	133.8	84%	0.836	79%	0.789	S	S	*	*				-150.3	160	78.7	-79	167.3	0	0	0	112.4
577	T	34.8	Very low	37.4	Very low	123 Å²	123	134.8 Å²	134.8	76%	0.755	79%	0.788	S	S	*	*			trans	-79.5	167.8	-179.1	51.7	0	0	0	0	113.3
578	S	38.5	Very low	37.6	Very low	96 Å²	96	135 Å²	135	67%	0.671	78%	0.781	S	S	*	*				175.4	164.8	59.9	52.2	0	0	0	0	114.9
579	H	39.7	Very low	37.8	Very low	164 Å²	164	135.5 Å²	135.5	76%	0.759	78%	0.78	S	S	*	*			trans	53.4	102.9	155.9	-66.1	-58.4	0	0	0	124.2
580	T	37.2	Very low	37.7	Very low	108 Å²	108	136.1 Å²	136.1	66%	0.663	78%	0.78	S	S	*	*				20.4	144.5	109.9	56.4	0	0	0	0	119.5
581	P	53.3	Low	37.8	Very low	200 Å²	200	139.3 Å²	139.3	100%	1.299	79%	0.792	S	S	*	*			cis	-78.5	0	39.1	-22.5	35.9	0	0	0	116.8

Retrieved 581 of 581 residues in 160.5 ms (Link to these results)

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