A0A087Y461_POEFO Loading...

Ubiquitin-like modifier-activating enzyme ATG7

AlphaFold DB , UniProt , Accession A0A087Y461, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 720 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.5	Very low	29.4	Very low	245 Å²	245	133.4 Å²	133.4	100%	1.207	84%	0.84	S	S	*	*				0	104.9	0	-69.7	-171.6	-160.4	0	0	107.5
2	A	27.5	Very low	29.9	Very low	102 Å²	102	131.3 Å²	131.3	84%	0.843	83%	0.833	S	S	*	*			trans	-86	109.4	179.2	0	0	0	0	0	108.5
3	S	26.5	Very low	30.6	Very low	100 Å²	100	134.6 Å²	134.6	70%	0.699	83%	0.832	S	S	*	*			trans	-90.8	110.2	169.8	53.4	0	0	0	0	108.9	I5	S3-I5 PolarHBondContact O-N 3.18Å
4	H	25.8	Very low	32.1	Very low	193 Å²	193	133.9 Å²	133.9	89%	0.894	82%	0.82	S	S	*	*			trans	-51.3	119.6	163.6	-83.2	-90.5	0	0	0	110
5	I	30	Very low	34.8	Very low	154 Å²	154	131.7 Å²	131.7	79%	0.79	80%	0.8	S	S	*	*			trans	-99.7	112.4	165.9	-63.6	176	0	0	0	106.6	S3	S3-I5 PolarHBondContact O-N 3.18Å
6	S	27.8	Very low	38	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	78%	0.783	S	S	*	*			trans	-54.9	131.7	173.2	49.8	0	0	0	0	111.4	A8	S6-A8 PolarHBondContact O-N 3.34Å
7	G	32.1	Very low	41	Very low	85 Å²	85	124.3 Å²	124.3	88%	0.876	74%	0.742	S	S	*	*			trans	-61.1	114.1	174.4	0	0	0	0	0	111.7
8	A	27.9	Very low	43.8	Very low	87 Å²	87	124.1 Å²	124.1	72%	0.719	73%	0.732	S	S	*	*			trans	-95.3	118.9	161.6	0	0	0	0	0	107.8	S6 L10	S6-A8 PolarHBondContact O-N 3.34Å; A8-L10 PolarHBondContact O-N 3.4Å
9	S	29.8	Very low	46.4	Very low	125 Å²	125	119.3 Å²	119.3	87%	0.874	70%	0.701	S	S	*	*			trans	-63.4	102.6	172.1	52.6	0	0	0	0	109.8	S11	S9-S11 PolarHBondContact O-N 3.2Å
10	L	31.5	Very low	48.7	Very low	165 Å²	165	113.8 Å²	113.8	86%	0.864	67%	0.67	S	S	*	*			trans	-68.7	119.7	170.9	-83.9	145.2	0	0	0	109.2	A8	A8-L10 PolarHBondContact O-N 3.4Å
11	S	32.8	Very low	50.8	Low	105 Å²	105	112.2 Å²	112.2	73%	0.734	66%	0.664	S	S	*	*			trans	-58.1	132	172.4	50.2	0	0	0	0	111.1	S9 E13	S9-S11 PolarHBondContact O-N 3.2Å; S11-E13 PolarHBondContact O-N 3.07Å
12	S	36.1	Very low	53.8	Low	108 Å²	108	101 Å²	101	76%	0.755	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	11.6	-169.3	58.8	0	0	0	0	116.5
13	E	38.2	Very low	57	Low	175 Å²	175	97.4 Å²	97.4	82%	0.818	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	3.7	-168.1	-76.2	-157.2	147.6	0	0	116.8	S11	S11-E13 PolarHBondContact O-N 3.07Å
14	D	51.3	Low	60.2	Low	124 Å²	124	93.1 Å²	93.1	66%	0.663	55%	0.546	S	S	*	.			trans	-158.6	42.8	179.2	-109.1	-21.3	0	0	0	116.4	K16	D14-K16 PolarHBondContact O-N 3.07Å
15	L	73.4	Confident	63.5	Low	101 Å²	101	85 Å²	85	53%	0.529	51%	0.513	S	S	.	.			trans	-72.6	101.3	176.4	-76.9	162.3	0	0	0	111.7	I165	L15-I165 HydrophobicContact CB-CB 4.42Å; L15-I165 HydrophobicContact CB-CD1 4.49Å; L15-I165 PolarHBondContact O-N 3.28Å
16	K	85.6	Confident	66.5	Low	120 Å²	120	79.2 Å²	79.2	52%	0.522	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-89.4	138.3	177.4	-65.8	174.3	-176.6	172	0	111.5	D14 Q18 A162	D14-K16 PolarHBondContact O-N 3.07Å; K16-Q18 PolarHBondContact O-N 2.81Å; K16-A162 HydrophobicContact CB-CB 4.14Å; K16-A162 HydrophobicContact CD-CB 3.74Å; K16-A162 HydrophobicContact CG-CB 3.78Å
17	L	89.5	Confident	69.6	Low	18 Å²	18	78.5 Å²	78.5	9%	0.094	47%	0.469	C	S	.	.			trans	-69.5	121.4	175.5	-170.5	65.3	0	0	0	112	F19 L163 I165 P244 L252 F288 V290	L17-F19 HydrophobicContact CD2-CE1 3.89Å; L17-F19 HydrophobicContact CD2-CE2 4.1Å; L17-F19 HydrophobicContact CD2-CZ 3.43Å; L17-F19 VanDerWaalsContact CD2-CZ 3.43Å; L17-F19 HydrophobicContact CG-CE1 4.34Å; L17-F19 HydrophobicContact CG-CE2 4.09Å; L17-F19 HydrophobicContact CG-CZ 3.88Å; L17-L163 HydrophobicContact CB-CB 4.2Å; L17-L163 HydrophobicContact CD2-CD1 4.15Å; L17-L163 PolarHBondContact N-O 3Å; L17-I165 HydrophobicContact CB-CD1 4.28Å; L17-I165 HydrophobicContact CB-CG1 4.06Å; L17-I165 HydrophobicContact CD1-CD1 4.04Å; L17-I165 HydrophobicContact CD1-CG1 4.27Å; L17-P244 HydrophobicContact CD1-CG 3.99Å; L17-P244 HydrophobicContact CG-CG 4.47Å; L17-L252 HydrophobicContact CD2-CD1 3.95Å; L17-F288 HydrophobicContact CD1-CD2 4.31Å; L17-F288 HydrophobicContact CD1-CE2 3.65Å; L17-F288 HydrophobicContact CD1-CZ 4.05Å; L17-F288 HydrophobicContact CD2-CE2 3.99Å; L17-F288 HydrophobicContact CD2-CZ 4.44Å; L17-V290 HydrophobicContact CD2-CG1 4.2Å
18	Q	91.2	Very high	72.3	Confident	120 Å²	120	76.8 Å²	76.8	56%	0.561	45%	0.446	S	S	*	.			trans	-110.2	154.8	173.1	-61.4	-172.7	6.9	0	0	110.3	K16 P244	K16-Q18 PolarHBondContact O-N 2.81Å; Q18-P244 VanDerWaalsContact O-CD 3.29Å; Q18-P244 WeakPolarHBondContact O-CD 3.46Å
19	F	93.1	Very high	75.3	Confident	33 Å²	33	73.9 Å²	73.9	15%	0.145	43%	0.425	C	S	.	.			trans	-128.2	139.3	-176	-58	-95.7	0	0	0	110.2	L17 P21 P244 W246 L248 R249 L252	L17-F19 HydrophobicContact CD2-CE1 3.89Å; L17-F19 HydrophobicContact CD2-CE2 4.1Å; L17-F19 HydrophobicContact CD2-CZ 3.43Å; L17-F19 VanDerWaalsContact CD2-CZ 3.43Å; L17-F19 HydrophobicContact CG-CE1 4.34Å; L17-F19 HydrophobicContact CG-CE2 4.09Å; L17-F19 HydrophobicContact CG-CZ 3.88Å; F19-P21 WeakPolarHBondContact O-CD 3.46Å; F19-P244 CarbonylContact C-O 3.52Å; F19-P244 WeakPolarHBondContact CA-O 3.47Å; F19-P244 HydrophobicContact CD1-CB 4.4Å; F19-P244 HydrophobicContact CD1-CG 3.71Å; F19-P244 HydrophobicContact CE1-CG 4.02Å; F19-P244 HydrophobicContact CG-CG 4.45Å; F19-W246 HydrophobicContact CB-CE3 4.23Å; F19-L248 HydrophobicContact CD1-CB 4.33Å; F19-L248 HydrophobicContact CE1-CB 4.01Å; F19-L248 HydrophobicContact CE1-CD2 3.91Å; F19-L248 HydrophobicContact CE1-CG 3.97Å; F19-R249 HydrophobicContact CB-CG 4.31Å; F19-R249 HydrophobicContact CD1-CG 3.58Å; F19-R249 HydrophobicContact CD2-CG 3.77Å; F19-R249 VanDerWaalsContact CD2-NE 3.27Å; F19-R249 HydrophobicContact CE1-CG 3.67Å; F19-R249 HydrophobicContact CE2-CG 3.86Å; F19-R249 HydrophobicContact CG-CG 3.62Å; F19-R249 HydrophobicContact CZ-CG 3.81Å; F19-L252 HydrophobicContact CE1-CD1 4.22Å; F19-L252 HydrophobicContact CZ-CD1 4Å
20	A	93.4	Very high	78.5	Confident	9 Å²	9	68 Å²	68	7%	0.074	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-75.9	119.6	171.3	0	0	0	0	0	110.1	C238 L240 P244 W246	A20-C238 HydrophobicContact CB-CB 4.24Å; A20-C238 WeakPolarHBondContact CB-SG 2.85Å; A20-L240 HydrophobicContact CB-CD1 4.33Å; A20-P244 PolarHBondContact N-O 3.17Å; A20-W246 WeakPolarHBondContact O-CB 3.36Å; A20-W246 PolarHBondContact O-N 3.17Å
21	P	92.6	Very high	81.5	Confident	82 Å²	82	60.4 Å²	60.4	53%	0.532	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-68.5	151.1	179.7	29.6	-34.5	0	0	0	112	F19 W246	F19-P21 WeakPolarHBondContact O-CD 3.46Å; P21-W246 VanDerWaalsContact CA-CE3 3.44Å; P21-W246 HydrophobicContact CB-CE3 3.95Å; P21-W246 HydrophobicContact CB-CZ3 4.01Å
22	F	94.1	Very high	84.3	Confident	10 Å²	10	59 Å²	59	4%	0.044	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-61.9	142.4	166.5	-85	-60.6	0	0	0	110.6	Y55 T65 L67 F154 P237 W246 P247	F22-Y55 HydrophobicContact CE1-CD2 4.43Å; F22-Y55 HydrophobicContact CE1-CG 4.05Å; F22-Y55 HydrophobicContact CZ-CD1 4.12Å; F22-Y55 HydrophobicContact CZ-CD2 4.3Å; F22-Y55 AromaticContact CZ-CG 3.99Å; F22-Y55 HydrophobicContact CZ-CG 3.99Å; F22-T65 CarbonylContact C-O 3.54Å; F22-T65 VanDerWaalsContact CA-O 3.29Å; F22-T65 WeakPolarHBondContact CA-O 3.35Å; F22-T65 HydrophobicContact CD1-CG2 3.7Å; F22-T65 HydrophobicContact CE1-CG2 3.87Å; F22-T65 HydrophobicContact CG-CG2 4.48Å; F22-L67 HydrophobicContact CD1-CB 4.01Å; F22-L67 HydrophobicContact CE1-CB 4.33Å; F22-L67 HydrophobicContact CG-CB 4.42Å; F22-F154 HydrophobicContact CB-CD1 3.89Å; F22-F154 HydrophobicContact CB-CD2 3.49Å; F22-F154 VanDerWaalsContact CB-CD2 3.49Å; F22-F154 HydrophobicContact CB-CE1 3.88Å; F22-F154 HydrophobicContact CB-CE2 3.46Å; F22-F154 VanDerWaalsContact CB-CE2 3.46Å; F22-F154 HydrophobicContact CB-CG 3.7Å; F22-F154 HydrophobicContact CB-CZ 3.66Å; F22-F154 HydrophobicContact CD2-CB 4.28Å; F22-F154 AromaticContact CD2-CD1 4Å; F22-F154 HydrophobicContact CD2-CD1 4Å; F22-F154 HydrophobicContact CD2-CG 4.08Å; F22-F154 HydrophobicContact CG-CD1 4.23Å; F22-F154 HydrophobicContact CG-CE1 4.38Å; F22-F154 HydrophobicContact CG-CG 4.32Å; F22-F154 WeakPolarHBondContact O-CE2 3.47Å; F22-P237 HydrophobicContact CE1-CB 4.26Å; F22-P237 HydrophobicContact CE1-CG 3.56Å; F22-P237 HydrophobicContact CZ-CG 3.9Å; F22-W246 HydrophobicContact CD2-CB 3.58Å; F22-W246 AromaticContact CD2-CD1 3.58Å; F22-W246 AromaticContact CD2-CG 3.85Å; F22-W246 HydrophobicContact CD2-CG 3.85Å; F22-W246 HydrophobicContact CE2-CB 3.91Å; F22-W246 HydrophobicContact CE2-CG 4.41Å; F22-W246 HydrophobicContact CG-CB 4.11Å; F22-P247 HydrophobicContact CE2-CG 3.79Å; F22-P247 HydrophobicContact CZ-CG 3.48Å; F22-P247 VanDerWaalsContact CZ-CG 3.48Å
23	S	93.8	Very high	87.1	Confident	26 Å²	26	56.5 Å²	56.5	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.3	167.1	-178.4	0	0	0	0	108.6	T65 R66 L67 E308	S23-T65 PolarHBondContact N-O 3.21Å; S23-R66 WeakPolarHBondContact O-CA 3.41Å; S23-L67 PolarHBondContact O-N 3.33Å; S23-E308 WeakPolarHBondContact CA-OE1 3.26Å
24	S	94.6	Very high	89.8	Confident	9 Å²	9	48.1 Å²	48.1	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	141.1	175.9	59	0	0	0	0	111.6	F152 E308 R318	S24-F152 VanDerWaalsContact CB-CE2 3.49Å; S24-E308 WeakPolarHBondContact CB-OE2 3.42Å; S24-E308 PolarHBondContact N-OE1 3.41Å; S24-E308 VanDerWaalsContact OG-CD 3.3Å; S24-E308 PolarHBondContact OG-OE1 3.13Å; S24-E308 PolarHBondContact OG-OE2 3.49Å; S24-R318 PolarHBondContact OG-NH1 3.1Å
25	A	94	Very high	91.8	Very high	24 Å²	24	43 Å²	43	20%	0.198	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	104.2	171.7	0	0	0	0	0	109.1	R66 L67 T68 L69	A25-R66 HydrophobicContact CB-CB 4.47Å; A25-L67 PolarHBondContact N-O 2.81Å; A25-T68 CarbonylContact O-C 3.46Å; A25-T68 VanDerWaalsContact O-CA 3.23Å; A25-T68 WeakPolarHBondContact O-CA 3.46Å; A25-L69 PolarHBondContact O-N 3.27Å
26	L	93.9	Very high	92.7	Very high	32 Å²	32	43.2 Å²	43.2	17%	0.168	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.5	177.9	-54.3	97.8	0	0	0	110.2	F30 W31 L69 L137 Y150 F152	L26-F30 HydrophobicContact CB-CD1 4.4Å; L26-F30 HydrophobicContact CD2-CD1 3.52Å; L26-F30 HydrophobicContact CD2-CE1 3.5Å; L26-F30 VanDerWaalsContact CD2-CE1 3.5Å; L26-F30 HydrophobicContact CD2-CG 4.25Å; L26-F30 HydrophobicContact CD2-CZ 4.21Å; L26-W31 HydrophobicContact CB-CZ2 4.15Å; L26-W31 HydrophobicContact CD1-CZ2 4.24Å; L26-W31 HydrophobicContact CD2-CH2 4.04Å; L26-W31 HydrophobicContact CD2-CZ2 3.67Å; L26-W31 HydrophobicContact CG-CZ2 4.24Å; L26-L69 HydrophobicContact CD2-CB 4.45Å; L26-L69 HydrophobicContact CD2-CD1 4.04Å; L26-L137 HydrophobicContact CD2-CD2 4.03Å; L26-Y150 HydrophobicContact CD1-CD2 3.93Å; L26-Y150 HydrophobicContact CD1-CE1 4.4Å; L26-Y150 HydrophobicContact CD1-CE2 3.42Å; L26-Y150 VanDerWaalsContact CD1-CE2 3.42Å; L26-F152 HydrophobicContact CD1-CD2 4.42Å; L26-F152 HydrophobicContact CD1-CE2 3.53Å; L26-F152 HydrophobicContact CD1-CZ 4.19Å; L26-F152 HydrophobicContact CD2-CE2 3.81Å; L26-F152 HydrophobicContact CD2-CZ 3.98Å; L26-F152 HydrophobicContact CG-CE2 3.9Å; L26-F152 HydrophobicContact CG-CZ 4.1Å
27	E	91.6	Very high	93	Very high	91 Å²	91	40.3 Å²	40.3	43%	0.425	22%	0.221	S	C	.	.			trans	-81.6	157.8	175.2	-60.7	-164.1	154.7	0	0	112.2	G29 F30 W31 L69 E70	E27-G29 PolarHBondContact O-N 3.2Å; E27-F30 WeakPolarHBondContact O-CB 3.31Å; E27-F30 PolarHBondContact O-N 2.98Å; E27-F30 VanDerWaalsContact O-N 3.08Å; E27-W31 VanDerWaalsContact O-CD1 3.29Å; E27-L69 PolarHBondContact N-O 3.3Å; E27-E70 HydrophobicContact CG-CG 4.27Å
28	A	89.4	Confident	93.2	Very high	49 Å²	49	40.1 Å²	40.1	41%	0.405	22%	0.219	S	C	.	.	H	α-helix	trans	-55.5	-36.7	174.4	0	0	0	0	0	112	F30 W31 H32	A28-F30 VanDerWaalsContact C-N 3.27Å; A28-F30 PolarHBondContact O-N 3.47Å; A28-W31 PolarHBondContact O-N 2.81Å; A28-W31 VanDerWaalsContact O-N 3.09Å; A28-H32 PolarHBondContact O-CD2 3.03Å; A28-H32 VanDerWaalsContact O-CD2 3.31Å; A28-H32 PolarHBondContact O-N 3.09Å; A28-H32 VanDerWaalsContact O-N 3.09Å
29	G	91.9	Very high	93.1	Very high	26 Å²	26	39.3 Å²	39.3	27%	0.268	22%	0.218	S	C	.	.	H	α-helix	trans	-58	-35.2	177.3	0	0	0	0	0	113.8	E27 H32 Q33	E27-G29 PolarHBondContact O-N 3.2Å; G29-H32 PolarHBondContact O-N 2.97Å; G29-Q33 WeakPolarHBondContact O-CB 3.09Å; G29-Q33 PolarHBondContact O-N 3.08Å
30	F	95.7	Very high	93.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-45.3	174.4	171.4	-94.9	0	0	0	111.5	L26 E27 A28 Q33 L34 L69 A73 F74 L137	L26-F30 HydrophobicContact CB-CD1 4.4Å; L26-F30 HydrophobicContact CD2-CD1 3.52Å; L26-F30 HydrophobicContact CD2-CE1 3.5Å; L26-F30 VanDerWaalsContact CD2-CE1 3.5Å; L26-F30 HydrophobicContact CD2-CG 4.25Å; L26-F30 HydrophobicContact CD2-CZ 4.21Å; E27-F30 WeakPolarHBondContact O-CB 3.31Å; E27-F30 PolarHBondContact O-N 2.98Å; E27-F30 VanDerWaalsContact O-N 3.08Å; A28-F30 VanDerWaalsContact C-N 3.27Å; A28-F30 PolarHBondContact O-N 3.47Å; F30-Q33 PolarHBondContact O-N 3.5Å; F30-L34 HydrophobicContact CE1-CD2 4.14Å; F30-L34 HydrophobicContact CZ-CD2 4.43Å; F30-L34 WeakPolarHBondContact O-CB 3.28Å; F30-L34 PolarHBondContact O-N 2.95Å; F30-L69 HydrophobicContact CD2-CB 3.91Å; F30-L69 HydrophobicContact CD2-CD1 4.17Å; F30-L69 HydrophobicContact CE2-CB 4.37Å; F30-L69 HydrophobicContact CE2-CD1 3.78Å; F30-L69 HydrophobicContact CG-CB 4.25Å; F30-L69 HydrophobicContact CZ-CD1 4.08Å; F30-A73 HydrophobicContact CD2-CB 3.97Å; F30-A73 HydrophobicContact CE2-CB 4.27Å; F30-F74 AromaticContact CD2-CE2 3.62Å; F30-F74 HydrophobicContact CD2-CE2 3.62Å; F30-F74 HydrophobicContact CD2-CZ 4.08Å; F30-F74 AromaticContact CE2-CE2 3.55Å; F30-F74 HydrophobicContact CE2-CE2 3.55Å; F30-F74 AromaticContact CE2-CZ 3.52Å; F30-F74 HydrophobicContact CE2-CZ 3.52Å; F30-F74 HydrophobicContact CG-CE2 4.49Å; F30-F74 HydrophobicContact CZ-CE2 4.36Å; F30-F74 AromaticContact CZ-CZ 3.98Å; F30-F74 HydrophobicContact CZ-CZ 3.98Å; F30-L137 HydrophobicContact CE1-CD2 4Å; F30-L137 HydrophobicContact CE2-CD2 4.32Å; F30-L137 HydrophobicContact CZ-CD2 3.5Å
31	W	95.6	Very high	93.1	Very high	6 Å²	6	46.2 Å²	46.2	2%	0.023	26%	0.255	C	S	.	.	H	α-helix	trans	-70	-36	-178.3	-60.2	107.2	0	0	0	112.9	L26 E27 A28 L34 T35 T139 F148 Y150 V320 L322	L26-W31 HydrophobicContact CB-CZ2 4.15Å; L26-W31 HydrophobicContact CD1-CZ2 4.24Å; L26-W31 HydrophobicContact CD2-CH2 4.04Å; L26-W31 HydrophobicContact CD2-CZ2 3.67Å; L26-W31 HydrophobicContact CG-CZ2 4.24Å; E27-W31 VanDerWaalsContact O-CD1 3.29Å; A28-W31 PolarHBondContact O-N 2.81Å; A28-W31 VanDerWaalsContact O-N 3.09Å; W31-L34 HydrophobicContact CE3-CD2 3.94Å; W31-L34 HydrophobicContact CZ3-CD2 3.89Å; W31-T35 WeakPolarHBondContact O-CB 3.48Å; W31-T35 PolarHBondContact O-N 2.85Å; W31-T35 PolarHBondContact O-OG1 3.38Å; W31-T139 HydrophobicContact CZ3-CG2 4.49Å; W31-F148 HydrophobicContact CB-CE1 4.45Å; W31-F148 HydrophobicContact CB-CE2 4.36Å; W31-F148 HydrophobicContact CB-CZ 4.28Å; W31-F148 HydrophobicContact CD2-CB 4.12Å; W31-F148 HydrophobicContact CD2-CD1 4.17Å; W31-F148 HydrophobicContact CD2-CD2 4.39Å; W31-F148 AromaticContact CD2-CG 3.97Å; W31-F148 HydrophobicContact CD2-CG 3.97Å; W31-F148 HydrophobicContact CE3-CB 3.63Å; W31-F148 AromaticContact CE3-CD1 3.35Å; W31-F148 HydrophobicContact CE3-CD1 3.35Å; W31-F148 HydrophobicContact CE3-CD2 4.32Å; W31-F148 HydrophobicContact CE3-CE1 4.05Å; W31-F148 AromaticContact CE3-CG 3.51Å; W31-F148 HydrophobicContact CE3-CG 3.51Å; W31-F148 HydrophobicContact CH2-CB 3.94Å; W31-F148 HydrophobicContact CZ2-CB 4.36Å; W31-F148 HydrophobicContact CZ3-CB 3.55Å; W31-F148 AromaticContact CZ3-CD1 3.84Å; W31-F148 HydrophobicContact CZ3-CD1 3.84Å; W31-F148 AromaticContact CZ3-CG 3.93Å; W31-F148 HydrophobicContact CZ3-CG 3.93Å; W31-Y150 AromaticContact CH2-CD1 3.59Å; W31-Y150 HydrophobicContact CH2-CD1 3.59Å; W31-Y150 HydrophobicContact CH2-CE1 4.35Å; W31-Y150 AromaticContact CH2-CG 3.81Å; W31-Y150 HydrophobicContact CH2-CG 3.81Å; W31-Y150 AromaticContact CZ2-CD1 3.63Å; W31-Y150 HydrophobicContact CZ2-CD1 3.63Å; W31-Y150 AromaticContact CZ2-CE1 3.92Å; W31-Y150 HydrophobicContact CZ2-CE1 3.92Å; W31-Y150 HydrophobicContact CZ2-CG 4.12Å; W31-V320 HydrophobicContact CD2-CG1 4.46Å; W31-V320 HydrophobicContact CZ2-CG1 3.91Å; W31-L322 HydrophobicContact CB-CD1 3.49Å; W31-L322 VanDerWaalsContact CB-CD1 3.49Å; W31-L322 HydrophobicContact CD2-CD1 4.41Å; W31-L322 HydrophobicContact CG-CD1 3.46Å; W31-L322 VanDerWaalsContact CG-CD1 3.46Å
32	H	92	Very high	93.1	Very high	76 Å²	76	43.9 Å²	43.9	35%	0.352	24%	0.236	S	C	.	.	H	α-helix	trans	-58.4	-50	169.7	-83.2	-76.3	0	0	0	111	A28 G29 T35 Q36 M326	A28-H32 PolarHBondContact O-CD2 3.03Å; A28-H32 VanDerWaalsContact O-CD2 3.31Å; A28-H32 PolarHBondContact O-N 3.09Å; A28-H32 VanDerWaalsContact O-N 3.09Å; G29-H32 PolarHBondContact O-N 2.97Å; H32-T35 WeakPolarHBondContact O-CB 3.49Å; H32-T35 PolarHBondContact O-N 2.88Å; H32-Q36 PolarHBondContact O-N 3.3Å; H32-M326 HydrophobicContact CB-CE 4.17Å; H32-M326 VanDerWaalsContact ND1-CE 3.32Å; H32-M326 WeakPolarHBondContact ND1-CE 3.13Å
33	Q	93.8	Very high	92.9	Very high	55 Å²	55	52 Å²	52	26%	0.257	27%	0.267	S	S	.	.	H	α-helix	trans	-65.7	-41.6	-179.4	-167.2	64.7	3.3	0	0	111.9	G29 F30 T35 Q36 K37 F74	G29-Q33 WeakPolarHBondContact O-CB 3.09Å; G29-Q33 PolarHBondContact O-N 3.08Å; F30-Q33 PolarHBondContact O-N 3.5Å; Q33-T35 VanDerWaalsContact C-N 3.28Å; Q33-T35 PolarHBondContact O-N 3.21Å; Q33-Q36 PolarHBondContact O-N 2.95Å; Q33-K37 HydrophobicContact CG-CG 4.42Å; Q33-K37 WeakPolarHBondContact O-CB 3.36Å; Q33-K37 VanDerWaalsContact O-CG 3.3Å; Q33-K37 WeakPolarHBondContact O-CG 3.43Å; Q33-K37 PolarHBondContact O-N 3.2Å; Q33-F74 HydrophobicContact CB-CD2 3.88Å; Q33-F74 HydrophobicContact CB-CE2 3.84Å; Q33-F74 HydrophobicContact CG-CB 4.48Å; Q33-F74 HydrophobicContact CG-CD2 3.4Å; Q33-F74 VanDerWaalsContact CG-CD2 3.4Å; Q33-F74 HydrophobicContact CG-CE2 3.86Å; Q33-F74 HydrophobicContact CG-CG 4.11Å
34	L	94.9	Very high	92.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-41.1	174.5	-178.4	58.2	0	0	0	111.7	F30 W31 K38 F74 L91	F30-L34 HydrophobicContact CE1-CD2 4.14Å; F30-L34 HydrophobicContact CZ-CD2 4.43Å; F30-L34 WeakPolarHBondContact O-CB 3.28Å; F30-L34 PolarHBondContact O-N 2.95Å; W31-L34 HydrophobicContact CE3-CD2 3.94Å; W31-L34 HydrophobicContact CZ3-CD2 3.89Å; L34-K38 WeakPolarHBondContact O-CB 3.41Å; L34-K38 PolarHBondContact O-N 3.31Å; L34-F74 HydrophobicContact CB-CE2 4.41Å; L34-F74 HydrophobicContact CB-CZ 3.83Å; L34-F74 HydrophobicContact CD1-CE1 4.16Å; L34-F74 HydrophobicContact CD1-CZ 3.93Å; L34-F74 HydrophobicContact CG-CZ 4.46Å; L34-L91 HydrophobicContact CD1-CD2 3.73Å
35	T	93.4	Very high	92.7	Very high	15 Å²	15	60.6 Å²	60.6	9%	0.092	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-47.1	178	-61.2	0	0	0	0	111.2	W31 H32 Q33 K38 L39 L143	W31-T35 WeakPolarHBondContact O-CB 3.48Å; W31-T35 PolarHBondContact O-N 2.85Å; W31-T35 PolarHBondContact O-OG1 3.38Å; H32-T35 WeakPolarHBondContact O-CB 3.49Å; H32-T35 PolarHBondContact O-N 2.88Å; Q33-T35 VanDerWaalsContact C-N 3.28Å; Q33-T35 PolarHBondContact O-N 3.21Å; T35-K38 PolarHBondContact O-N 3.48Å; T35-L39 HydrophobicContact CG2-CD1 3.98Å; T35-L39 WeakPolarHBondContact O-CG 3.12Å; T35-L39 PolarHBondContact O-N 3.1Å; T35-L143 HydrophobicContact CG2-CD1 4.32Å; T35-L143 HydrophobicContact CG2-CD2 3.74Å
36	Q	92.2	Very high	92.7	Very high	106 Å²	106	63.4 Å²	63.4	50%	0.495	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-47.5	177.2	-70.7	-175.5	-3.7	0	0	111.7	H32 Q33 K38 L39 N40	H32-Q36 PolarHBondContact O-N 3.3Å; Q33-Q36 PolarHBondContact O-N 2.95Å; Q36-K38 PolarHBondContact O-N 3.21Å; Q36-L39 PolarHBondContact O-N 3.2Å; Q36-N40 VanDerWaalsContact O-CB 3.32Å; Q36-N40 WeakPolarHBondContact O-CB 3.41Å; Q36-N40 PolarHBondContact O-N 2.81Å; Q36-N40 PolarHBondContact O-ND2 3.22Å
37	K	93.1	Very high	92.7	Very high	59 Å²	59	64.1 Å²	64.1	26%	0.257	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-43	176.3	-71.7	-61.3	-167.1	-174.4	0	111.8	Q33 L39 D41 Y42 F74	Q33-K37 HydrophobicContact CG-CG 4.42Å; Q33-K37 WeakPolarHBondContact O-CB 3.36Å; Q33-K37 VanDerWaalsContact O-CG 3.3Å; Q33-K37 WeakPolarHBondContact O-CG 3.43Å; Q33-K37 PolarHBondContact O-N 3.2Å; K37-L39 PolarHBondContact O-N 2.9Å; K37-D41 HydrophobicContact CD-CB 4.33Å; K37-D41 WeakPolarHBondContact CD-OD2 3.37Å; K37-D41 WeakPolarHBondContact CE-OD2 3.42Å; K37-D41 IonicContact NZ-OD2 2.91Å; K37-D41 PolarHBondContact NZ-OD2 2.88Å; K37-D41 CarbonylContact O-C 3.57Å; K37-D41 WeakPolarHBondContact O-CA 3.42Å; K37-D41 WeakPolarHBondContact O-CB 3.43Å; K37-D41 PolarHBondContact O-N 3.27Å; K37-Y42 HydrophobicContact CB-CD2 4.16Å; K37-Y42 HydrophobicContact CB-CE1 4.33Å; K37-Y42 HydrophobicContact CB-CE2 3.66Å; K37-Y42 PolarHBondContact O-N 2.84Å; K37-F74 HydrophobicContact CG-CD1 4.39Å
38	K	92.5	Very high	92.9	Very high	14 Å²	14	62.5 Å²	62.5	6%	0.061	32%	0.323	C	S	.	.	I	π-helix	trans	-64	-41.3	178.5	-170.5	169.9	-173.5	164.2	0	112.1	L34 T35 Q36 R43 N93 T94 A141 L143	L34-K38 WeakPolarHBondContact O-CB 3.41Å; L34-K38 PolarHBondContact O-N 3.31Å; T35-K38 PolarHBondContact O-N 3.48Å; Q36-K38 PolarHBondContact O-N 3.21Å; K38-R43 VanDerWaalsContact O-CA 3.28Å; K38-R43 WeakPolarHBondContact O-CA 3.47Å; K38-R43 PolarHBondContact O-N 2.97Å; K38-N93 WeakPolarHBondContact CD-ND2 3.11Å; K38-N93 VanDerWaalsContact CE-ND2 3.33Å; K38-N93 WeakPolarHBondContact CE-ND2 3.41Å; K38-N93 PolarHBondContact NZ-ND2 3.39Å; K38-N93 PolarHBondContact NZ-OD1 3.22Å; K38-T94 PolarHBondContact NZ-O 2.86Å; K38-A141 HydrophobicContact CD-CB 4.33Å; K38-L143 HydrophobicContact CD-CD1 4.21Å; K38-L143 HydrophobicContact CG-CD1 4.41Å
39	L	90.4	Very high	93.2	Very high	104 Å²	104	62.4 Å²	62.4	55%	0.545	31%	0.314	S	S	.	.	I	π-helix	trans	-74.4	-43.7	-179.5	-71.5	171.5	0	0	0	113	T35 Q36 K37 L143	T35-L39 HydrophobicContact CG2-CD1 3.98Å; T35-L39 WeakPolarHBondContact O-CG 3.12Å; T35-L39 PolarHBondContact O-N 3.1Å; Q36-L39 PolarHBondContact O-N 3.2Å; K37-L39 PolarHBondContact O-N 2.9Å; L39-L143 HydrophobicContact CD1-CD1 4.31Å; L39-L143 HydrophobicContact CD2-CD1 3.71Å; L39-L143 HydrophobicContact CG-CD1 3.77Å
40	N	92.9	Very high	93.4	Very high	99 Å²	99	63.9 Å²	63.9	53%	0.529	32%	0.319	S	S	.	.	I	π-helix	trans	-93.8	-42.6	-168.4	-59.5	-28	0	0	0	112.4	Q36 R43	Q36-N40 VanDerWaalsContact O-CB 3.32Å; Q36-N40 WeakPolarHBondContact O-CB 3.41Å; Q36-N40 PolarHBondContact O-N 2.81Å; Q36-N40 PolarHBondContact O-ND2 3.22Å; N40-R43 PolarHBondContact O-NE 3.07Å
41	D	92.4	Very high	93.5	Very high	87 Å²	87	63.9 Å²	63.9	47%	0.465	32%	0.319	S	S	.	.	I	π-helix	trans	-103.7	-57.2	-167.3	-59.1	1.4	0	0	0	111.4	K37	K37-D41 HydrophobicContact CD-CB 4.33Å; K37-D41 WeakPolarHBondContact CD-OD2 3.37Å; K37-D41 WeakPolarHBondContact CE-OD2 3.42Å; K37-D41 IonicContact NZ-OD2 2.91Å; K37-D41 PolarHBondContact NZ-OD2 2.88Å; K37-D41 CarbonylContact O-C 3.57Å; K37-D41 WeakPolarHBondContact O-CA 3.42Å; K37-D41 WeakPolarHBondContact O-CB 3.43Å; K37-D41 PolarHBondContact O-N 3.27Å
42	Y	92	Very high	93.5	Very high	33 Å²	33	64.7 Å²	64.7	13%	0.129	32%	0.323	C	S	.	.	I	π-helix	trans	-78.9	-40.3	-172	-50.9	-24.4	0	0	0	112.1	K37 L44 D45 K49	K37-Y42 HydrophobicContact CB-CD2 4.16Å; K37-Y42 HydrophobicContact CB-CE1 4.33Å; K37-Y42 HydrophobicContact CB-CE2 3.66Å; K37-Y42 PolarHBondContact O-N 2.84Å; Y42-L44 PolarHBondContact O-N 2.81Å; Y42-D45 WeakPolarHBondContact O-CB 3.41Å; Y42-D45 PolarHBondContact O-N 2.86Å; Y42-K49 HydrophobicContact CD1-CD 4.47Å; Y42-K49 HydrophobicContact CE1-CD 4.07Å; Y42-K49 HydrophobicContact CE1-CG 4.06Å; Y42-K49 HydrophobicContact CE2-CG 4.12Å
43	R	90.4	Very high	93.7	Very high	181 Å²	181	61.1 Å²	61.1	68%	0.683	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	-105.9	-178.7	-52.9	173.4	-173.9	178.5	-0.1	111.3	K38 N40	K38-R43 VanDerWaalsContact O-CA 3.28Å; K38-R43 WeakPolarHBondContact O-CA 3.47Å; K38-R43 PolarHBondContact O-N 2.97Å; N40-R43 PolarHBondContact O-NE 3.07Å
44	L	91.8	Very high	93.7	Very high	146 Å²	146	60 Å²	60	76%	0.764	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-4.6	177.8	-63.2	177	0	0	0	113.2	Y42 E46 N95	Y42-L44 PolarHBondContact O-N 2.81Å; L44-E46 PolarHBondContact O-N 2.62Å; L44-N95 PolarHBondContact O-ND2 3.25Å
45	D	93.3	Very high	93.7	Very high	70 Å²	70	60 Å²	60	37%	0.374	30%	0.301	S	S	.	.			trans	-68.8	116.8	-179.9	-178.4	19.2	0	0	0	111.1	Y42 S47 K49	Y42-D45 WeakPolarHBondContact O-CB 3.41Å; Y42-D45 PolarHBondContact O-N 2.86Å; D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 2.87Å; D45-S47 PolarHBondContact OD1-OG 3.48Å; D45-S47 PolarHBondContact OD2-OG 2.96Å; D45-K49 IonicContact OD2-NZ 3Å; D45-K49 PolarHBondContact OD2-NZ 3.14Å
46	E	92.8	Very high	93.7	Very high	82 Å²	82	62.5 Å²	62.5	38%	0.383	31%	0.309	S	S	.	.			trans	-98.8	8.6	175.3	-58.3	-169.5	166.4	0	0	112.3	L44 N95	L44-E46 PolarHBondContact O-N 2.62Å; E46-N95 VanDerWaalsContact CG-ND2 3.25Å; E46-N95 WeakPolarHBondContact CG-ND2 3.41Å; E46-N95 WeakPolarHBondContact OE1-CB 3.22Å; E46-N95 VanDerWaalsContact OE1-CG 3.31Å; E46-N95 PolarHBondContact OE1-N 2.97Å; E46-N95 PolarHBondContact OE1-ND2 3.41Å
47	S	94.8	Very high	93.7	Very high	48 Å²	48	57.6 Å²	57.6	34%	0.336	29%	0.286	S	S	.	.			trans	-61.5	143.8	178.8	64.2	0	0	0	0	111.5	D45 K49	D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 2.87Å; D45-S47 PolarHBondContact OD1-OG 3.48Å; D45-S47 PolarHBondContact OD2-OG 2.96Å; S47-K49 WeakPolarHBondContact O-CE 3.25Å; S47-K49 PolarHBondContact O-N 3.49Å; S47-K49 PolarHBondContact OG-NZ 3.09Å
48	P	95.4	Very high	93.3	Very high	57 Å²	57	55.3 Å²	55.3	37%	0.37	28%	0.279	S	S	.	.			trans	-61.7	136.7	-175.7	-20.2	32.7	0	0	0	111.2	L91 Y92	P48-L91 WeakPolarHBondContact CA-O 3.28Å; P48-Y92 HydrophobicContact CB-CD1 4.16Å; P48-Y92 HydrophobicContact CB-CE1 3.78Å; P48-Y92 HydrophobicContact CB-CE2 4.48Å; P48-Y92 HydrophobicContact CG-CD1 3.86Å; P48-Y92 HydrophobicContact CG-CE1 3.35Å
49	K	96.3	Very high	93	Very high	46 Å²	46	55.2 Å²	55.2	20%	0.2	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.8	178.6	-52.7	-57.1	-179.8	-167.5	0	110.3	Y42 D45 S47 L91	Y42-K49 HydrophobicContact CD1-CD 4.47Å; Y42-K49 HydrophobicContact CE1-CD 4.07Å; Y42-K49 HydrophobicContact CE1-CG 4.06Å; Y42-K49 HydrophobicContact CE2-CG 4.12Å; D45-K49 IonicContact OD2-NZ 3Å; D45-K49 PolarHBondContact OD2-NZ 3.14Å; S47-K49 WeakPolarHBondContact O-CE 3.25Å; S47-K49 PolarHBondContact O-N 3.49Å; S47-K49 PolarHBondContact OG-NZ 3.09Å; K49-L91 HydrophobicContact CB-CB 4.37Å; K49-L91 PolarHBondContact N-O 3.15Å; K49-L91 WeakPolarHBondContact O-CB 3.34Å; K49-L91 PolarHBondContact O-N 3.37Å
50	C	96.3	Very high	92.8	Very high	58 Å²	58	53.7 Å²	53.7	39%	0.392	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	133.9	173.8	-166.7	0	0	0	0	109.5	V76 M90	C50-V76 HydrophobicContact CB-CG2 4.1Å; C50-V76 WeakPolarHBondContact O-CG2 3.49Å; C50-M90 HydrophobicContact CB-SD 4.36Å
51	I	96.9	Very high	92.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.3	174.7	53.2	165.8	0	0	0	109.4	L69 A73 F74 G89 L91 F135 L137	I51-L69 HydrophobicContact CD1-CD1 3.92Å; I51-A73 CarbonylContact C-O 3.59Å; I51-A73 VanDerWaalsContact CA-O 3.24Å; I51-A73 WeakPolarHBondContact CA-O 3.17Å; I51-A73 WeakPolarHBondContact CB-O 3.39Å; I51-F74 HydrophobicContact CG2-CD1 3.95Å; I51-F74 HydrophobicContact CG2-CE1 4.06Å; I51-G89 WeakPolarHBondContact CG1-O 3.47Å; I51-G89 PolarHBondContact N-O 3.35Å; I51-G89 PolarHBondContact O-N 2.9Å; I51-G89 VanDerWaalsContact O-O 3.09Å; I51-L91 HydrophobicContact CD1-CB 3.93Å; I51-L91 HydrophobicContact CG1-CB 4.13Å; I51-L91 HydrophobicContact CG2-CB 4.06Å; I51-L91 HydrophobicContact CG2-CD2 4.37Å; I51-F135 HydrophobicContact CD1-CE2 3.53Å; I51-F135 HydrophobicContact CD1-CZ 3.71Å; I51-F135 HydrophobicContact CG1-CE2 4.02Å; I51-F135 HydrophobicContact CG1-CZ 3.8Å; I51-L137 HydrophobicContact CD1-CB 4.12Å; I51-L137 HydrophobicContact CD1-CD2 4.01Å
52	K	96	Very high	92	Very high	22 Å²	22	53.3 Å²	53.3	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.3	179.3	-178.6	179.3	67.3	-147.4	0	109.9	A73 D75 V76 G78 P86 L88	K52-A73 PolarHBondContact N-O 2.92Å; K52-A73 WeakPolarHBondContact O-CA 3.39Å; K52-A73 WeakPolarHBondContact O-CB 3.23Å; K52-D75 PolarHBondContact NZ-O 2.99Å; K52-V76 WeakPolarHBondContact CD-O 3.49Å; K52-V76 PolarHBondContact NZ-O 3.08Å; K52-G78 PolarHBondContact NZ-O 3.44Å; K52-P86 HydrophobicContact CD-CB 4.37Å; K52-L88 HydrophobicContact CB-CD2 4.13Å; K52-L88 HydrophobicContact CD-CD2 4.45Å; K52-L88 HydrophobicContact CG-CD2 4.13Å
53	G	95.6	Very high	91.7	Very high	2 Å²	2	54.7 Å²	54.7	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-175.9	167	0	0	0	0	0	111.1	T68 A87	G53-T68 WeakPolarHBondContact CA-O 3.11Å; G53-A87 PolarHBondContact N-O 2.82Å; G53-A87 PolarHBondContact O-N 3.32Å
54	Y	95.3	Very high	91.6	Very high	31 Å²	31	49.2 Å²	49.2	12%	0.122	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	161.4	172.4	66.5	-96.2	0	0	0	110.8	T68 E70 P81 C84 C85	Y54-T68 HydrophobicContact CE1-CG2 4.31Å; Y54-T68 HydrophobicContact CE2-CG2 4.46Å; Y54-T68 PolarHBondContact N-O 3.38Å; Y54-T68 PolarHBondContact O-N 2.83Å; Y54-E70 HydrophobicContact CE1-CG 3.89Å; Y54-E70 PolarHBondContact OH-OE1 2.93Å; Y54-P81 HydrophobicContact CD1-CG 4.1Å; Y54-P81 HydrophobicContact CE1-CG 3.89Å; Y54-C84 HydrophobicContact CD2-CB 3.7Å; Y54-C84 HydrophobicContact CE2-CB 4.48Å; Y54-C84 HydrophobicContact CG-CB 4.15Å; Y54-C85 WeakPolarHBondContact CA-O 3.44Å; Y54-C85 WeakPolarHBondContact CB-O 3.28Å
55	Y	95	Very high	91.6	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	155.8	171.4	59.9	-83.8	0	0	0	110.6	F22 R66 C84 C85 A87 C133 P201 Y235 P237 P247	F22-Y55 HydrophobicContact CE1-CD2 4.43Å; F22-Y55 HydrophobicContact CE1-CG 4.05Å; F22-Y55 HydrophobicContact CZ-CD1 4.12Å; F22-Y55 HydrophobicContact CZ-CD2 4.3Å; F22-Y55 AromaticContact CZ-CG 3.99Å; F22-Y55 HydrophobicContact CZ-CG 3.99Å; Y55-R66 VanDerWaalsContact CB-O 3.27Å; Y55-R66 WeakPolarHBondContact CB-O 3.32Å; Y55-C84 WeakPolarHBondContact O-CA 3.01Å; Y55-C85 HydrophobicContact CD1-CB 4.13Å; Y55-C85 WeakPolarHBondContact CD1-O 3.4Å; Y55-C85 HydrophobicContact CD2-CB 4.18Å; Y55-C85 HydrophobicContact CE1-CB 3.56Å; Y55-C85 HydrophobicContact CE2-CB 3.66Å; Y55-C85 HydrophobicContact CG-CB 4.41Å; Y55-C85 PolarHBondContact N-O 2.83Å; Y55-C85 PolarHBondContact O-N 2.6Å; Y55-A87 HydrophobicContact CD1-CB 4.28Å; Y55-A87 HydrophobicContact CE1-CB 4.44Å; Y55-C133 HydrophobicContact CE1-CB 4.17Å; Y55-P201 WeakPolarHBondContact OH-CB 3.41Å; Y55-Y235 HydrophobicContact CD2-CD1 4.13Å; Y55-Y235 HydrophobicContact CD2-CE1 4.39Å; Y55-Y235 AromaticContact CE2-CD1 3.79Å; Y55-Y235 HydrophobicContact CE2-CD1 3.79Å; Y55-Y235 HydrophobicContact CE2-CE1 4.46Å; Y55-P237 HydrophobicContact CD2-CB 4Å; Y55-P237 HydrophobicContact CD2-CG 3.63Å; Y55-P237 HydrophobicContact CE2-CG 4.18Å; Y55-P237 HydrophobicContact CG-CG 4.38Å; Y55-P247 HydrophobicContact CE2-CG 4.15Å
56	Y	92.3	Very high	91.6	Very high	66 Å²	66	43.3 Å²	43.3	26%	0.259	25%	0.253	S	S	.	.			trans	-131.4	146.1	-172.5	178.7	-123.5	0	0	0	109.9	G58 R83 P237	Y56-G58 VanDerWaalsContact CE1-N 3.3Å; Y56-G58 WeakPolarHBondContact OH-CA 3.33Å; Y56-R83 VanDerWaalsContact CD2-O 3.29Å; Y56-R83 WeakPolarHBondContact CD2-O 3.45Å; Y56-R83 HydrophobicContact CE2-CB 4.39Å; Y56-P237 WeakPolarHBondContact O-CB 3.48Å
57	N	91.4	Very high	91.8	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	24%	0.235	C	C	.	.	S	Bend	trans	-112.5	5.5	-179.8	76.3	-8.6	0	0	0	115.2	D59 Y235 D236 F271 D273	N57-D59 VanDerWaalsContact C-N 3.33Å; N57-Y235 HydrophobicContact CB-CD1 4.01Å; N57-Y235 HydrophobicContact CB-CE1 3.54Å; N57-Y235 HydrophobicContact CB-CE2 4.4Å; N57-Y235 VanDerWaalsContact CG-CE1 3.48Å; N57-Y235 VanDerWaalsContact CG-CE2 3.44Å; N57-Y235 VanDerWaalsContact CG-OH 3.29Å; N57-Y235 PolarHBondContact N-OH 3.18Å; N57-Y235 VanDerWaalsContact ND2-CE2 3.31Å; N57-Y235 WeakPolarHBondContact ND2-CE2 3.22Å; N57-Y235 WeakPolarHBondContact OD1-CE2 3.17Å; N57-Y235 PolarHBondContact OD1-OH 3.34Å; N57-D236 WeakPolarHBondContact CB-O 3.47Å; N57-F271 PolarHBondContact ND2-O 3.02Å; N57-D273 PolarHBondContact ND2-N 3.09Å; N57-D273 PolarHBondContact OD1-O 3.19Å
58	G	86.2	Confident	91.8	Very high	10 Å²	10	38 Å²	38	10%	0.103	22%	0.224	C	C	.	.			trans	-93.9	14.6	177.9	0	0	0	0	0	114.3	Y56 D273	Y56-G58 VanDerWaalsContact CE1-N 3.3Å; Y56-G58 WeakPolarHBondContact OH-CA 3.33Å; G58-D273 WeakPolarHBondContact CA-O 3.22Å
59	D	86.7	Confident	91.8	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.064	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-64.2	139.1	176.7	-85.9	-12	0	0	0	111.3	N57 L63 R66 T239 R274	N57-D59 VanDerWaalsContact C-N 3.33Å; D59-L63 HydrophobicContact CB-CB 4.2Å; D59-L63 HydrophobicContact CB-CD1 4.12Å; D59-R66 IonicContact OD1-CZ 3.89Å; D59-R66 IonicContact OD1-NH2 2.69Å; D59-R66 PolarHBondContact OD1-NH2 3.17Å; D59-R66 IonicContact OD2-CZ 3.93Å; D59-R66 IonicContact OD2-NE 2.93Å; D59-R66 PolarHBondContact OD2-NE 3.06Å; D59-R66 IonicContact OD2-NH2 3Å; D59-R66 PolarHBondContact OD2-NH2 3.34Å; D59-T239 HydrophobicContact CB-CG2 4.1Å; D59-R274 PolarHBondContact O-NE 3.23Å
60	P	84.7	Confident	91.7	Very high	72 Å²	72	34.9 Å²	34.9	47%	0.468	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-62.9	158.1	175.6	25.2	-35.5	0	0	0	112.6	G62 L63 T239	P60-G62 PolarHBondContact O-N 3.36Å; P60-L63 HydrophobicContact CG-CD1 3.7Å; P60-L63 HydrophobicContact CG-CG 4.1Å; P60-L63 PolarHBondContact O-N 2.95Å; P60-T239 WeakPolarHBondContact O-CG2 3.41Å
61	V	85	Confident	91.4	Very high	112 Å²	112	38.5 Å²	38.5	68%	0.679	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	134.8	178.5	-177.5	0	0	0	0	110.7
62	G	83.2	Confident	91.1	Very high	66 Å²	66	40.2 Å²	40.2	68%	0.68	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.1	-12.8	178.3	0	0	0	0	0	114.3	P60	P60-G62 PolarHBondContact O-N 3.36Å
63	L	87.4	Confident	91.1	Very high	63 Å²	63	39.2 Å²	39.2	33%	0.33	22%	0.222	S	C	.	.			trans	-77.9	145.4	169.1	-68.6	-172.3	0	0	0	111.6	D59 P60 T239	D59-L63 HydrophobicContact CB-CB 4.2Å; D59-L63 HydrophobicContact CB-CD1 4.12Å; P60-L63 HydrophobicContact CG-CD1 3.7Å; P60-L63 HydrophobicContact CG-CG 4.1Å; P60-L63 PolarHBondContact O-N 2.95Å; L63-T239 WeakPolarHBondContact O-CG2 3.37Å; L63-T239 PolarHBondContact O-OG1 2.93Å
64	P	88.3	Confident	91	Very high	66 Å²	66	40.6 Å²	40.6	43%	0.429	23%	0.228	S	C	.	.			trans	-68.9	161	176.7	29.9	-34.3	0	0	0	111.2	R66	P64-R66 HydrophobicContact CG-CG 4.01Å; P64-R66 WeakPolarHBondContact O-CG 3.36Å; P64-R66 PolarHBondContact O-N 2.9Å
65	T	91.3	Very high	90.9	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.037	24%	0.244	C	C	.	.			trans	-66.6	95	172.3	-50.2	0	0	0	0	109.8	F22 S23 P237	F22-T65 CarbonylContact C-O 3.54Å; F22-T65 VanDerWaalsContact CA-O 3.29Å; F22-T65 WeakPolarHBondContact CA-O 3.35Å; F22-T65 HydrophobicContact CD1-CG2 3.7Å; F22-T65 HydrophobicContact CE1-CG2 3.87Å; F22-T65 HydrophobicContact CG-CG2 4.48Å; S23-T65 PolarHBondContact N-O 3.21Å; T65-P237 HydrophobicContact CG2-CB 3.57Å; T65-P237 HydrophobicContact CG2-CG 3.39Å
66	R	93.5	Very high	90.6	Very high	85 Å²	85	45.1 Å²	45.1	32%	0.321	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	141.7	-170.5	-67.7	-179.3	-62.6	162.3	4.7	113.9	S23 A25 Y55 D59 P64	S23-R66 WeakPolarHBondContact O-CA 3.41Å; A25-R66 HydrophobicContact CB-CB 4.47Å; Y55-R66 VanDerWaalsContact CB-O 3.27Å; Y55-R66 WeakPolarHBondContact CB-O 3.32Å; D59-R66 IonicContact OD1-CZ 3.89Å; D59-R66 IonicContact OD1-NH2 2.69Å; D59-R66 PolarHBondContact OD1-NH2 3.17Å; D59-R66 IonicContact OD2-CZ 3.93Å; D59-R66 IonicContact OD2-NE 2.93Å; D59-R66 PolarHBondContact OD2-NE 3.06Å; D59-R66 IonicContact OD2-NH2 3Å; D59-R66 PolarHBondContact OD2-NH2 3.34Å; P64-R66 HydrophobicContact CG-CG 4.01Å; P64-R66 WeakPolarHBondContact O-CG 3.36Å; P64-R66 PolarHBondContact O-N 2.9Å
67	L	95.3	Very high	90.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.5	159.6	-175	150.3	0	0	0	108.3	F22 S23 A25 L69 A87 F135 F152 F154	F22-L67 HydrophobicContact CD1-CB 4.01Å; F22-L67 HydrophobicContact CE1-CB 4.33Å; F22-L67 HydrophobicContact CG-CB 4.42Å; S23-L67 PolarHBondContact O-N 3.33Å; A25-L67 PolarHBondContact N-O 2.81Å; L67-L69 HydrophobicContact CD2-CD2 4.35Å; L67-A87 HydrophobicContact CD1-CB 3.65Å; L67-F135 HydrophobicContact CD1-CD1 4.08Å; L67-F135 HydrophobicContact CD1-CG 4.48Å; L67-F135 HydrophobicContact CD2-CD1 4.22Å; L67-F135 HydrophobicContact CD2-CE1 4.27Å; L67-F135 HydrophobicContact CD2-CG 4.44Å; L67-F152 HydrophobicContact CD2-CE1 4.16Å; L67-F154 HydrophobicContact CB-CE1 3.98Å; L67-F154 HydrophobicContact CB-CZ 4.38Å; L67-F154 HydrophobicContact CD1-CD1 4.22Å; L67-F154 HydrophobicContact CD1-CE1 3.85Å; L67-F154 HydrophobicContact CD2-CE1 4.28Å; L67-F154 HydrophobicContact CG-CE1 4.25Å
68	T	95.8	Very high	90.3	Very high	17 Å²	17	49.9 Å²	49.9	10%	0.104	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.9	-169.7	-55.3	0	0	0	0	111.8	A25 G53 Y54 E70	A25-T68 CarbonylContact O-C 3.46Å; A25-T68 VanDerWaalsContact O-CA 3.23Å; A25-T68 WeakPolarHBondContact O-CA 3.46Å; G53-T68 WeakPolarHBondContact CA-O 3.11Å; Y54-T68 HydrophobicContact CE1-CG2 4.31Å; Y54-T68 HydrophobicContact CE2-CG2 4.46Å; Y54-T68 PolarHBondContact N-O 3.38Å; Y54-T68 PolarHBondContact O-N 2.83Å; T68-E70 HydrophobicContact CG2-CG 4.07Å
69	L	95.9	Very high	90.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.4	166.4	-62	-172.1	0	0	0	110.8	A25 L26 E27 F30 I51 L67 A73 F135 L137 F152	A25-L69 PolarHBondContact O-N 3.27Å; L26-L69 HydrophobicContact CD2-CB 4.45Å; L26-L69 HydrophobicContact CD2-CD1 4.04Å; E27-L69 PolarHBondContact N-O 3.3Å; F30-L69 HydrophobicContact CD2-CB 3.91Å; F30-L69 HydrophobicContact CD2-CD1 4.17Å; F30-L69 HydrophobicContact CE2-CB 4.37Å; F30-L69 HydrophobicContact CE2-CD1 3.78Å; F30-L69 HydrophobicContact CG-CB 4.25Å; F30-L69 HydrophobicContact CZ-CD1 4.08Å; I51-L69 HydrophobicContact CD1-CD1 3.92Å; L67-L69 HydrophobicContact CD2-CD2 4.35Å; L69-A73 HydrophobicContact CB-CB 4.25Å; L69-A73 HydrophobicContact CD2-CB 4.08Å; L69-F135 HydrophobicContact CD1-CE2 4.2Å; L69-F135 HydrophobicContact CD1-CZ 4.43Å; L69-F135 HydrophobicContact CD2-CE1 4.47Å; L69-F135 HydrophobicContact CD2-CE2 4.24Å; L69-F135 HydrophobicContact CD2-CZ 3.71Å; L69-L137 HydrophobicContact CD1-CD2 3.5Å; L69-L137 VanDerWaalsContact CD1-CD2 3.5Å; L69-F152 HydrophobicContact CD1-CE1 4.12Å; L69-F152 HydrophobicContact CD1-CZ 3.58Å; L69-F152 HydrophobicContact CG-CE1 4.47Å; L69-F152 HydrophobicContact CG-CZ 4.08Å
70	E	92.8	Very high	90.6	Very high	37 Å²	37	56.7 Å²	56.7	17%	0.173	33%	0.331	C	S	.	.			trans	-113	-170.7	178.2	-57	-175.5	170.3	0	0	111.4	E27 Y54 T68 S72 A73	E27-E70 HydrophobicContact CG-CG 4.27Å; Y54-E70 HydrophobicContact CE1-CG 3.89Å; Y54-E70 PolarHBondContact OH-OE1 2.93Å; T68-E70 HydrophobicContact CG2-CG 4.07Å; E70-S72 PolarHBondContact O-N 3.49Å; E70-A73 VanDerWaalsContact O-CB 3.25Å; E70-A73 WeakPolarHBondContact O-CB 3.33Å; E70-A73 PolarHBondContact O-N 2.74Å
71	F	90.3	Very high	90.9	Very high	135 Å²	135	55.5 Å²	55.5	59%	0.592	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-58.7	-33.2	174.3	84.4	-86	0	0	0	112.8	A73	F71-A73 PolarHBondContact O-N 2.86Å
72	S	91.8	Very high	91.1	Very high	35 Å²	35	53.7 Å²	53.7	25%	0.245	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-75.3	-4	-179	59.5	0	0	0	0	113.5	E70 F74 D75	E70-S72 PolarHBondContact O-N 3.49Å; S72-F74 PolarHBondContact O-N 3.41Å; S72-D75 PolarHBondContact O-N 3.31Å
73	A	94.6	Very high	91.4	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.008	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-61.7	-21.7	-175.6	0	0	0	0	0	114.2	F30 I51 K52 L69 E70 F71	F30-A73 HydrophobicContact CD2-CB 3.97Å; F30-A73 HydrophobicContact CE2-CB 4.27Å; I51-A73 CarbonylContact C-O 3.59Å; I51-A73 VanDerWaalsContact CA-O 3.24Å; I51-A73 WeakPolarHBondContact CA-O 3.17Å; I51-A73 WeakPolarHBondContact CB-O 3.39Å; K52-A73 PolarHBondContact N-O 2.92Å; K52-A73 WeakPolarHBondContact O-CA 3.39Å; K52-A73 WeakPolarHBondContact O-CB 3.23Å; L69-A73 HydrophobicContact CB-CB 4.25Å; L69-A73 HydrophobicContact CD2-CB 4.08Å; E70-A73 VanDerWaalsContact O-CB 3.25Å; E70-A73 WeakPolarHBondContact O-CB 3.33Å; E70-A73 PolarHBondContact O-N 2.74Å; F71-A73 PolarHBondContact O-N 2.86Å
74	F	94.3	Very high	91.7	Very high	31 Å²	31	53.4 Å²	53.4	14%	0.136	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-87.8	-7.3	176.8	-61.6	-88.1	0	0	0	113.4	F30 Q33 L34 K37 I51 S72 L91	F30-F74 AromaticContact CD2-CE2 3.62Å; F30-F74 HydrophobicContact CD2-CE2 3.62Å; F30-F74 HydrophobicContact CD2-CZ 4.08Å; F30-F74 AromaticContact CE2-CE2 3.55Å; F30-F74 HydrophobicContact CE2-CE2 3.55Å; F30-F74 AromaticContact CE2-CZ 3.52Å; F30-F74 HydrophobicContact CE2-CZ 3.52Å; F30-F74 HydrophobicContact CG-CE2 4.49Å; F30-F74 HydrophobicContact CZ-CE2 4.36Å; F30-F74 AromaticContact CZ-CZ 3.98Å; F30-F74 HydrophobicContact CZ-CZ 3.98Å; Q33-F74 HydrophobicContact CB-CD2 3.88Å; Q33-F74 HydrophobicContact CB-CE2 3.84Å; Q33-F74 HydrophobicContact CG-CB 4.48Å; Q33-F74 HydrophobicContact CG-CD2 3.4Å; Q33-F74 VanDerWaalsContact CG-CD2 3.4Å; Q33-F74 HydrophobicContact CG-CE2 3.86Å; Q33-F74 HydrophobicContact CG-CG 4.11Å; L34-F74 HydrophobicContact CB-CE2 4.41Å; L34-F74 HydrophobicContact CB-CZ 3.83Å; L34-F74 HydrophobicContact CD1-CE1 4.16Å; L34-F74 HydrophobicContact CD1-CZ 3.93Å; L34-F74 HydrophobicContact CG-CZ 4.46Å; K37-F74 HydrophobicContact CG-CD1 4.39Å; I51-F74 HydrophobicContact CG2-CD1 3.95Å; I51-F74 HydrophobicContact CG2-CE1 4.06Å; S72-F74 PolarHBondContact O-N 3.41Å; F74-L91 HydrophobicContact CE1-CD2 3.71Å; F74-L91 HydrophobicContact CZ-CD2 4.26Å
75	D	92.6	Very high	91.9	Very high	86 Å²	86	50.2 Å²	50.2	46%	0.46	28%	0.275	S	S	.	.			trans	-98.8	83.6	172.4	-177.5	9.6	0	0	0	109.6	K52 S72 D77 G78	K52-D75 PolarHBondContact NZ-O 2.99Å; S72-D75 PolarHBondContact O-N 3.31Å; D75-D77 PolarHBondContact O-N 3.25Å; D75-G78 PolarHBondContact O-N 2.86Å; D75-G78 PolarHBondContact OD1-N 2.79Å; D75-G78 WeakPolarHBondContact OD2-CA 3.31Å
76	V	90	Very high	92.1	Very high	41 Å²	41	51.7 Å²	51.7	25%	0.248	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-28.3	-173.9	-176.8	0	0	0	0	112.1	C50 K52 L88	C50-V76 HydrophobicContact CB-CG2 4.1Å; C50-V76 WeakPolarHBondContact O-CG2 3.49Å; K52-V76 WeakPolarHBondContact CD-O 3.49Å; K52-V76 PolarHBondContact NZ-O 3.08Å; V76-L88 HydrophobicContact CG1-CD2 3.84Å
77	D	90.1	Very high	92.1	Very high	157 Å²	157	47.6 Å²	47.6	84%	0.84	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-10.7	-179.7	-60.3	-45.2	0	0	0	113.1	D75	D75-D77 PolarHBondContact O-N 3.25Å
78	G	86.6	Confident	92.1	Very high	14 Å²	14	50.1 Å²	50.1	14%	0.144	28%	0.282	C	S	.	.	S	Bend	trans	-59.7	165.4	177.5	0	0	0	0	0	115.1	K52 D75	K52-G78 PolarHBondContact NZ-O 3.44Å; D75-G78 PolarHBondContact O-N 2.86Å; D75-G78 PolarHBondContact OD1-N 2.79Å; D75-G78 WeakPolarHBondContact OD2-CA 3.31Å
79	P	88.6	Confident	92.1	Very high	122 Å²	122	49.4 Å²	49.4	79%	0.792	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-66.7	144.9	176.7	28.2	-33.9	0	0	0	111.6
80	T	89.9	Confident	92.1	Very high	43 Å²	43	51.4 Å²	51.4	26%	0.264	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-86.6	142.5	169.3	-56.4	0	0	0	0	108.9	C84 P86	T80-C84 HydrophobicContact CG2-CB 4.04Å; T80-P86 HydrophobicContact CG2-CB 4.31Å
81	P	91.1	Very high	92.3	Very high	47 Å²	47	49.7 Å²	49.7	31%	0.305	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-51.1	147.6	175.1	-28.4	36	0	0	0	112.7	Y54 R83 C84	Y54-P81 HydrophobicContact CD1-CG 4.1Å; Y54-P81 HydrophobicContact CE1-CG 3.89Å; P81-R83 PolarHBondContact O-N 2.93Å; P81-C84 HydrophobicContact CB-CB 4.36Å; P81-C84 WeakPolarHBondContact O-CB 3.43Å; P81-C84 PolarHBondContact O-N 3.05Å
82	A	89.6	Confident	92.7	Very high	73 Å²	73	44.4 Å²	44.4	60%	0.603	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	140.9	-179.1	0	0	0	0	0	111.1	C84 T198	A82-C84 PolarHBondContact O-N 2.78Å; A82-T198 WeakPolarHBondContact CA-OG1 3.37Å; A82-T198 HydrophobicContact CB-CG2 4.33Å
83	R	90.1	Very high	92.9	Very high	111 Å²	111	43.2 Å²	43.2	42%	0.419	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	27.9	-177.1	-63.1	-172.6	-93.7	-171.5	-7.1	113.4	Y56 P81 T198 Y235 T275	Y56-R83 VanDerWaalsContact CD2-O 3.29Å; Y56-R83 WeakPolarHBondContact CD2-O 3.45Å; Y56-R83 HydrophobicContact CE2-CB 4.39Å; P81-R83 PolarHBondContact O-N 2.93Å; R83-T198 PolarHBondContact N-OG1 2.95Å; R83-Y235 PolarHBondContact O-OH 3.18Å; R83-T275 PolarHBondContact NH1-OG1 2.92Å
84	C	93.4	Very high	93	Very high	12 Å²	12	43.7 Å²	43.7	8%	0.081	25%	0.251	C	S	.	.			trans	-119.8	144.7	173.1	-63.8	0	0	0	0	110.5	Y54 Y55 T80 P81 A82	Y54-C84 HydrophobicContact CD2-CB 3.7Å; Y54-C84 HydrophobicContact CE2-CB 4.48Å; Y54-C84 HydrophobicContact CG-CB 4.15Å; Y55-C84 WeakPolarHBondContact O-CA 3.01Å; T80-C84 HydrophobicContact CG2-CB 4.04Å; P81-C84 HydrophobicContact CB-CB 4.36Å; P81-C84 WeakPolarHBondContact O-CB 3.43Å; P81-C84 PolarHBondContact O-N 3.05Å; A82-C84 PolarHBondContact O-N 2.78Å
85	C	93.4	Very high	93	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.5	174.9	-72.1	0	0	0	0	110.1	Y54 Y55 P201 Y235	Y54-C85 WeakPolarHBondContact CA-O 3.44Å; Y54-C85 WeakPolarHBondContact CB-O 3.28Å; Y55-C85 HydrophobicContact CD1-CB 4.13Å; Y55-C85 WeakPolarHBondContact CD1-O 3.4Å; Y55-C85 HydrophobicContact CD2-CB 4.18Å; Y55-C85 HydrophobicContact CE1-CB 3.56Å; Y55-C85 HydrophobicContact CE2-CB 3.66Å; Y55-C85 HydrophobicContact CG-CB 4.41Å; Y55-C85 PolarHBondContact N-O 2.83Å; Y55-C85 PolarHBondContact O-N 2.6Å; C85-P201 HydrophobicContact CB-CB 4.42Å; C85-Y235 HydrophobicContact CB-CD1 4.39Å; C85-Y235 VanDerWaalsContact SG-CD1 3.53Å
86	P	93.6	Very high	93	Very high	36 Å²	36	43.9 Å²	43.9	23%	0.234	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	143.8	176.1	28.3	-33.1	0	0	0	110.9	K52 T80	K52-P86 HydrophobicContact CD-CB 4.37Å; T80-P86 HydrophobicContact CG2-CB 4.31Å
87	A	94.4	Very high	93.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.6	170.9	0	0	0	0	0	108.1	G53 Y55 L67 C133 F135	G53-A87 PolarHBondContact N-O 2.82Å; G53-A87 PolarHBondContact O-N 3.32Å; Y55-A87 HydrophobicContact CD1-CB 4.28Å; Y55-A87 HydrophobicContact CE1-CB 4.44Å; L67-A87 HydrophobicContact CD1-CB 3.65Å; A87-C133 WeakPolarHBondContact CB-O 3.36Å; A87-F135 HydrophobicContact CB-CD1 4.17Å; A87-F135 HydrophobicContact CB-CE1 4.36Å; A87-F135 WeakPolarHBondContact O-CE1 3.15Å
88	L	95.1	Very high	93.5	Very high	54 Å²	54	42.3 Å²	42.3	28%	0.283	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	141.6	177.1	-66.6	176.1	0	0	0	110	K52 V76 R134 F135	K52-L88 HydrophobicContact CB-CD2 4.13Å; K52-L88 HydrophobicContact CD-CD2 4.45Å; K52-L88 HydrophobicContact CG-CD2 4.13Å; V76-L88 HydrophobicContact CG1-CD2 3.84Å; L88-R134 WeakPolarHBondContact O-CA 3.37Å; L88-F135 PolarHBondContact O-N 2.98Å; L88-F135 VanDerWaalsContact O-N 3.14Å
89	G	95.4	Very high	93.9	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	167.9	179.7	0	0	0	0	0	114.2	I51 F135	I51-G89 WeakPolarHBondContact CG1-O 3.47Å; I51-G89 PolarHBondContact N-O 3.35Å; I51-G89 PolarHBondContact O-N 2.9Å; I51-G89 VanDerWaalsContact O-O 3.09Å; G89-F135 CarbonylContact C-O 3.6Å; G89-F135 WeakPolarHBondContact CA-O 3.44Å
90	M	96.9	Very high	94.2	Very high	42 Å²	42	37.5 Å²	37.5	21%	0.207	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.5	180	-68.2	-64.4	-178.6	0	0	110.4	C50 Y92 E112 F135 I136 L137	C50-M90 HydrophobicContact CB-SD 4.36Å; M90-Y92 HydrophobicContact CB-CD2 4.28Å; M90-Y92 HydrophobicContact CB-CE2 3.57Å; M90-E112 WeakPolarHBondContact CG-OE1 3.15Å; M90-F135 PolarHBondContact N-O 3.2Å; M90-I136 WeakPolarHBondContact O-CA 3.38Å; M90-L137 PolarHBondContact O-N 3.24Å
91	L	97.4	Very high	94.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.2	173.2	174.5	66	0	0	0	109.9	L34 P48 K49 I51 F74 N93 L137 T139	L34-L91 HydrophobicContact CD1-CD2 3.73Å; P48-L91 WeakPolarHBondContact CA-O 3.28Å; K49-L91 HydrophobicContact CB-CB 4.37Å; K49-L91 PolarHBondContact N-O 3.15Å; K49-L91 WeakPolarHBondContact O-CB 3.34Å; K49-L91 PolarHBondContact O-N 3.37Å; I51-L91 HydrophobicContact CD1-CB 3.93Å; I51-L91 HydrophobicContact CG1-CB 4.13Å; I51-L91 HydrophobicContact CG2-CB 4.06Å; I51-L91 HydrophobicContact CG2-CD2 4.37Å; F74-L91 HydrophobicContact CE1-CD2 3.71Å; F74-L91 HydrophobicContact CZ-CD2 4.26Å; L91-N93 HydrophobicContact CG-CB 4.45Å; L91-L137 CarbonylContact C-O 3.54Å; L91-L137 WeakPolarHBondContact CA-O 3.45Å; L91-L137 HydrophobicContact CD1-CB 4.23Å; L91-L137 HydrophobicContact CD1-CD2 4Å; L91-L137 HydrophobicContact CD1-CG 3.8Å; L91-T139 HydrophobicContact CD1-CG2 3.81Å
92	Y	97.2	Very high	94.6	Very high	25 Å²	25	43.3 Å²	43.3	10%	0.098	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	97.7	171.4	-65	-99	0	0	0	107.9	P48 M90 L108 I136 L137 L138 T139	P48-Y92 HydrophobicContact CB-CD1 4.16Å; P48-Y92 HydrophobicContact CB-CE1 3.78Å; P48-Y92 HydrophobicContact CB-CE2 4.48Å; P48-Y92 HydrophobicContact CG-CD1 3.86Å; P48-Y92 HydrophobicContact CG-CE1 3.35Å; M90-Y92 HydrophobicContact CB-CD2 4.28Å; M90-Y92 HydrophobicContact CB-CE2 3.57Å; Y92-L108 HydrophobicContact CD1-CD2 3.84Å; Y92-L108 HydrophobicContact CD2-CD2 4.47Å; Y92-L108 HydrophobicContact CE1-CD2 3.43Å; Y92-L108 VanDerWaalsContact CE1-CD2 3.43Å; Y92-L108 HydrophobicContact CE2-CD2 4.15Å; Y92-L108 HydrophobicContact CG-CD2 4.35Å; Y92-I136 HydrophobicContact CD2-CG2 3.61Å; Y92-I136 HydrophobicContact CE2-CG2 3.75Å; Y92-L137 PolarHBondContact N-O 3.07Å; Y92-L138 CarbonylContact O-C 3.5Å; Y92-L138 WeakPolarHBondContact O-CA 3.47Å; Y92-T139 PolarHBondContact O-N 3.45Å
93	N	96.4	Very high	94.8	Very high	9 Å²	9	41 Å²	41	5%	0.048	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.4	178.9	165.8	72.9	0	0	0	110.2	K38 L91 T139	K38-N93 WeakPolarHBondContact CD-ND2 3.11Å; K38-N93 VanDerWaalsContact CE-ND2 3.33Å; K38-N93 WeakPolarHBondContact CE-ND2 3.41Å; K38-N93 PolarHBondContact NZ-ND2 3.39Å; K38-N93 PolarHBondContact NZ-OD1 3.22Å; L91-N93 HydrophobicContact CG-CB 4.45Å; N93-T139 WeakPolarHBondContact CA-OG1 3.48Å; N93-T139 WeakPolarHBondContact CB-OG1 3.31Å; N93-T139 PolarHBondContact OD1-OG1 3.23Å
94	T	96.4	Very high	95	Very high	12 Å²	12	40.5 Å²	40.5	7%	0.074	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	153	178.5	56.9	0	0	0	0	111.4	K38 T96 A99 F100 L138 T139	K38-T94 PolarHBondContact NZ-O 2.86Å; T94-T96 PolarHBondContact OG1-O 3.24Å; T94-A99 HydrophobicContact CG2-CB 4.18Å; T94-F100 WeakPolarHBondContact OG1-CB 3.5Å; T94-L138 HydrophobicContact CG2-CD1 4.47Å; T94-T139 PolarHBondContact N-O 3.41Å; T94-T139 PolarHBondContact OG1-O 3Å
95	N	94.1	Very high	95	Very high	46 Å²	46	42.1 Å²	42.1	25%	0.246	24%	0.239	C	C	.	.	S	Bend	trans	-87.1	-23.6	178.7	-67.3	-43.8	0	0	0	113.1	L44 E46 F140	L44-N95 PolarHBondContact O-ND2 3.25Å; E46-N95 VanDerWaalsContact CG-ND2 3.25Å; E46-N95 WeakPolarHBondContact CG-ND2 3.41Å; E46-N95 WeakPolarHBondContact OE1-CB 3.22Å; E46-N95 VanDerWaalsContact OE1-CG 3.31Å; E46-N95 PolarHBondContact OE1-N 2.97Å; E46-N95 PolarHBondContact OE1-ND2 3.41Å; N95-F140 WeakPolarHBondContact O-CE2 3.41Å
96	T	94.3	Very high	95	Very high	75 Å²	75	48.8 Å²	48.8	46%	0.46	27%	0.268	S	S	.	.	S	Bend	trans	-125.2	149.6	180	72.4	0	0	0	0	111.7	T94 D98 A99 F100 F140	T94-T96 PolarHBondContact OG1-O 3.24Å; T96-D98 PolarHBondContact O-N 2.87Å; T96-A99 PolarHBondContact O-N 2.78Å; T96-A99 VanDerWaalsContact OG1-CB 3.28Å; T96-A99 WeakPolarHBondContact OG1-CB 3.37Å; T96-A99 PolarHBondContact OG1-N 2.96Å; T96-A99 VanDerWaalsContact OG1-N 3.14Å; T96-F100 PolarHBondContact O-N 2.91Å; T96-F140 VanDerWaalsContact C-CD2 3.46Å
97	L	94.4	Very high	95.1	Very high	52 Å²	52	49 Å²	49	27%	0.272	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-31	176.5	-178.2	61.7	0	0	0	111.9	F100 K101 F140 Y149	L97-F100 HydrophobicContact CD1-CD1 4.34Å; L97-F100 WeakPolarHBondContact O-CB 3.5Å; L97-F100 PolarHBondContact O-N 3.15Å; L97-K101 HydrophobicContact CG-CD 4.47Å; L97-K101 WeakPolarHBondContact O-CG 3.47Å; L97-K101 PolarHBondContact O-N 2.84Å; L97-K101 VanDerWaalsContact O-N 3.08Å; L97-F140 HydrophobicContact CB-CD1 4.02Å; L97-F140 HydrophobicContact CB-CE1 3.74Å; L97-F140 HydrophobicContact CB-CE2 4.49Å; L97-F140 HydrophobicContact CB-CZ 4Å; L97-F140 HydrophobicContact CD1-CD1 3.69Å; L97-F140 HydrophobicContact CD1-CE1 4.04Å; L97-F140 HydrophobicContact CD1-CG 4.43Å; L97-F140 HydrophobicContact CG-CD1 4.43Å; L97-F140 HydrophobicContact CG-CE1 4.38Å; L97-Y149 HydrophobicContact CD1-CG 4.43Å
98	D	95.3	Very high	95.1	Very high	112 Å²	112	50.3 Å²	50.3	60%	0.599	28%	0.28	S	S	*	.	H	α-helix	trans	-72.7	-39	179.4	-64.1	-31.6	0	0	0	111.5	T96 F100 K101 A102	T96-D98 PolarHBondContact O-N 2.87Å; D98-F100 VanDerWaalsContact C-N 3.32Å; D98-F100 PolarHBondContact O-N 2.88Å; D98-K101 PolarHBondContact O-N 2.79Å; D98-A102 VanDerWaalsContact O-CB 3.27Å; D98-A102 WeakPolarHBondContact O-CB 3.23Å; D98-A102 PolarHBondContact O-N 2.83Å
99	A	94.6	Very high	95.1	Very high	32 Å²	32	48.3 Å²	48.3	26%	0.264	27%	0.27	S	S	.	.	H	α-helix	trans	-60.3	-41.8	171	0	0	0	0	0	111.5	T94 T96 K101 A102 A103	T94-A99 HydrophobicContact CG2-CB 4.18Å; T96-A99 PolarHBondContact O-N 2.78Å; T96-A99 VanDerWaalsContact OG1-CB 3.28Å; T96-A99 WeakPolarHBondContact OG1-CB 3.37Å; T96-A99 PolarHBondContact OG1-N 2.96Å; T96-A99 VanDerWaalsContact OG1-N 3.14Å; A99-K101 VanDerWaalsContact C-N 3.33Å; A99-K101 PolarHBondContact O-N 3.1Å; A99-A102 PolarHBondContact O-N 2.88Å; A99-A103 WeakPolarHBondContact O-CB 3.23Å; A99-A103 PolarHBondContact O-N 2.91Å
100	F	96	Very high	95.1	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-39.7	174.6	178.8	-97.6	0	0	0	113.7	T94 T96 L97 D98 K105 L138 F140 P317	T94-F100 WeakPolarHBondContact OG1-CB 3.5Å; T96-F100 PolarHBondContact O-N 2.91Å; L97-F100 HydrophobicContact CD1-CD1 4.34Å; L97-F100 WeakPolarHBondContact O-CB 3.5Å; L97-F100 PolarHBondContact O-N 3.15Å; D98-F100 VanDerWaalsContact C-N 3.32Å; D98-F100 PolarHBondContact O-N 2.88Å; F100-K105 PolarHBondContact O-NZ 2.78Å; F100-L138 HydrophobicContact CD2-CD1 4.42Å; F100-L138 HydrophobicContact CD2-CD2 4.08Å; F100-L138 HydrophobicContact CD2-CG 3.79Å; F100-L138 HydrophobicContact CE2-CB 4.41Å; F100-L138 HydrophobicContact CE2-CD2 3.95Å; F100-L138 HydrophobicContact CE2-CG 3.67Å; F100-F140 HydrophobicContact CB-CB 3.83Å; F100-F140 HydrophobicContact CD2-CB 3.86Å; F100-F140 HydrophobicContact CG-CB 3.88Å; F100-P317 HydrophobicContact CE1-CB 3.78Å; F100-P317 HydrophobicContact CE1-CG 3.95Å; F100-P317 HydrophobicContact CZ-CB 3.66Å; F100-P317 HydrophobicContact CZ-CG 4.34Å
101	K	94.3	Very high	94.9	Very high	126 Å²	126	55.7 Å²	55.7	55%	0.548	30%	0.302	S	S	.	.	H	α-helix	trans	-71.9	-43.5	177.7	-72.8	171	-178.1	168.9	0	111.6	L97 D98 A99 A103	L97-K101 HydrophobicContact CG-CD 4.47Å; L97-K101 WeakPolarHBondContact O-CG 3.47Å; L97-K101 PolarHBondContact O-N 2.84Å; L97-K101 VanDerWaalsContact O-N 3.08Å; D98-K101 PolarHBondContact O-N 2.79Å; A99-K101 VanDerWaalsContact C-N 3.33Å; A99-K101 PolarHBondContact O-N 3.1Å; K101-A103 VanDerWaalsContact C-N 3.34Å
102	A	94.6	Very high	94.8	Very high	86 Å²	86	55.7 Å²	55.7	71%	0.711	30%	0.301	S	S	*	.	H	α-helix	trans	-77.6	-15.9	-177.1	0	0	0	0	0	113.9	D98 A99 D104	D98-A102 VanDerWaalsContact O-CB 3.27Å; D98-A102 WeakPolarHBondContact O-CB 3.23Å; D98-A102 PolarHBondContact O-N 2.83Å; A99-A102 PolarHBondContact O-N 2.88Å; A102-D104 PolarHBondContact O-N 3.42Å
103	A	93.4	Very high	94.7	Very high	25 Å²	25	54.5 Å²	54.5	21%	0.207	30%	0.297	C	S	.	.	S	Bend	trans	-52	128.3	178	0	0	0	0	0	111.6	A99 K101 K105 L138	A99-A103 WeakPolarHBondContact O-CB 3.23Å; A99-A103 PolarHBondContact O-N 2.91Å; K101-A103 VanDerWaalsContact C-N 3.34Å; A103-K105 VanDerWaalsContact C-N 3.34Å; A103-K105 WeakPolarHBondContact O-CE 3.32Å; A103-K105 WeakPolarHBondContact O-CG 3.29Å; A103-K105 PolarHBondContact O-N 2.7Å; A103-L138 HydrophobicContact CB-CD1 4.29Å; A103-L138 HydrophobicContact CB-CD2 4.14Å
104	D	94.6	Very high	94.5	Very high	100 Å²	100	59.5 Å²	59.5	54%	0.535	32%	0.318	S	S	.	.			trans	-73	88.2	178.8	-170.7	-16.9	0	0	0	110.7	A102 K106 A107 L108	A102-D104 PolarHBondContact O-N 3.42Å; D104-K106 PolarHBondContact O-N 3Å; D104-K106 WeakPolarHBondContact OD1-CB 3.34Å; D104-K106 PolarHBondContact OD1-N 2.69Å; D104-A107 HydrophobicContact CB-CB 3.93Å; D104-A107 VanDerWaalsContact CG-CB 3.44Å; D104-A107 PolarHBondContact O-N 3.34Å; D104-A107 PolarHBondContact OD1-N 3.49Å; D104-A107 WeakPolarHBondContact OD2-CB 3.37Å; D104-L108 WeakPolarHBondContact O-CG 3.19Å; D104-L108 PolarHBondContact O-N 3.15Å; D104-L108 VanDerWaalsContact O-N 3.07Å
105	K	93.7	Very high	94.4	Very high	46 Å²	46	61.6 Å²	61.6	20%	0.2	33%	0.327	C	S	.	.	H	α-helix	trans	-61.4	-26.5	-179.6	-61.3	128.4	-163	-51.3	0	112.4	F100 A103 L109 L138 W151 W307	F100-K105 PolarHBondContact O-NZ 2.78Å; A103-K105 VanDerWaalsContact C-N 3.34Å; A103-K105 WeakPolarHBondContact O-CE 3.32Å; A103-K105 WeakPolarHBondContact O-CG 3.29Å; A103-K105 PolarHBondContact O-N 2.7Å; K105-L109 PolarHBondContact O-N 3.41Å; K105-L138 HydrophobicContact CG-CD2 4.47Å; K105-W151 HydrophobicContact CD-CE3 4.34Å; K105-W151 HydrophobicContact CD-CH2 4.46Å; K105-W151 HydrophobicContact CD-CZ3 3.68Å; K105-W151 HydrophobicContact CG-CE3 4.4Å; K105-W151 HydrophobicContact CG-CZ3 4.13Å; K105-W307 HydrophobicContact CB-CH2 4.36Å; K105-W307 HydrophobicContact CB-CZ2 3.6Å; K105-W307 HydrophobicContact CG-CH2 4.37Å; K105-W307 HydrophobicContact CG-CZ2 4.09Å; K105-W307 VanDerWaalsContact O-CZ2 3.31Å; K105-W307 WeakPolarHBondContact O-CZ2 3.49Å; K105-W307 PolarHBondContact O-NE1 3.35Å
106	K	93.8	Very high	94.4	Very high	139 Å²	139	59.4 Å²	59.4	60%	0.604	32%	0.316	S	S	*	.	H	α-helix	trans	-76.4	-48.6	179.1	-176.7	179.2	168.7	-174	0	109.8	D104 L108 L109 E110	D104-K106 PolarHBondContact O-N 3Å; D104-K106 WeakPolarHBondContact OD1-CB 3.34Å; D104-K106 PolarHBondContact OD1-N 2.69Å; K106-L108 VanDerWaalsContact C-N 3.31Å; K106-L108 PolarHBondContact O-N 2.93Å; K106-L109 PolarHBondContact O-N 2.96Å; K106-E110 WeakPolarHBondContact CE-OE1 3.4Å; K106-E110 HydrophobicContact CG-CG 4.46Å; K106-E110 IonicContact NZ-OE1 3.9Å; K106-E110 WeakPolarHBondContact O-CG 3.07Å; K106-E110 PolarHBondContact O-N 3.49Å
107	A	94.5	Very high	94.4	Very high	42 Å²	42	56.2 Å²	56.2	35%	0.347	30%	0.295	S	S	.	.	H	α-helix	trans	-59.4	-40.2	176.5	0	0	0	0	0	112.5	D104 E110 K111	D104-A107 HydrophobicContact CB-CB 3.93Å; D104-A107 VanDerWaalsContact CG-CB 3.44Å; D104-A107 PolarHBondContact O-N 3.34Å; D104-A107 PolarHBondContact OD1-N 3.49Å; D104-A107 WeakPolarHBondContact OD2-CB 3.37Å; A107-E110 PolarHBondContact O-N 2.88Å; A107-K111 WeakPolarHBondContact O-CB 3.26Å; A107-K111 PolarHBondContact O-N 3.07Å
108	L	94.8	Very high	94.3	Very high	26 Å²	26	58 Å²	58	14%	0.136	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-45.5	175.9	-70.9	176.3	0	0	0	112.5	Y92 D104 K106 E112 I136 L138	Y92-L108 HydrophobicContact CD1-CD2 3.84Å; Y92-L108 HydrophobicContact CD2-CD2 4.47Å; Y92-L108 HydrophobicContact CE1-CD2 3.43Å; Y92-L108 VanDerWaalsContact CE1-CD2 3.43Å; Y92-L108 HydrophobicContact CE2-CD2 4.15Å; Y92-L108 HydrophobicContact CG-CD2 4.35Å; D104-L108 WeakPolarHBondContact O-CG 3.19Å; D104-L108 PolarHBondContact O-N 3.15Å; D104-L108 VanDerWaalsContact O-N 3.07Å; K106-L108 VanDerWaalsContact C-N 3.31Å; K106-L108 PolarHBondContact O-N 2.93Å; L108-E112 PolarHBondContact O-N 3.01Å; L108-I136 HydrophobicContact CB-CD1 4.34Å; L108-I136 WeakPolarHBondContact O-CD1 3.26Å; L108-L138 HydrophobicContact CD1-CD1 4.44Å
109	L	95.5	Very high	94.3	Very high	13 Å²	13	53.2 Å²	53.2	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-65.4	-45	176.7	167.3	57.3	0	0	0	111.5	K105 K106 K111 E112 A113 P155 S304	K105-L109 PolarHBondContact O-N 3.41Å; K106-L109 PolarHBondContact O-N 2.96Å; L109-K111 VanDerWaalsContact C-N 3.31Å; L109-K111 PolarHBondContact O-N 3.39Å; L109-E112 PolarHBondContact O-N 2.99Å; L109-A113 WeakPolarHBondContact O-CB 3.31Å; L109-A113 PolarHBondContact O-N 2.76Å; L109-P155 HydrophobicContact CD1-CB 3.74Å; L109-P155 HydrophobicContact CD1-CG 3.97Å; L109-S304 WeakPolarHBondContact CG-OG 3.44Å
110	E	94.5	Very high	94.2	Very high	95 Å²	95	51.7 Å²	51.7	44%	0.444	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-38.4	179.4	-73.5	175.5	172.5	0	0	111.9	K106 A107 K114	K106-E110 WeakPolarHBondContact CE-OE1 3.4Å; K106-E110 HydrophobicContact CG-CG 4.46Å; K106-E110 IonicContact NZ-OE1 3.9Å; K106-E110 WeakPolarHBondContact O-CG 3.07Å; K106-E110 PolarHBondContact O-N 3.49Å; A107-E110 PolarHBondContact O-N 2.88Å; E110-K114 WeakPolarHBondContact O-CB 3.46Å; E110-K114 PolarHBondContact O-N 3.47Å
111	K	94.1	Very high	93.9	Very high	103 Å²	103	55.9 Å²	55.9	45%	0.448	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-55.6	175.5	-177.3	-171.9	170.6	-166.1	0	111.9	A107 L109 A113 K114 E115	A107-K111 WeakPolarHBondContact O-CB 3.26Å; A107-K111 PolarHBondContact O-N 3.07Å; L109-K111 VanDerWaalsContact C-N 3.31Å; L109-K111 PolarHBondContact O-N 3.39Å; K111-A113 PolarHBondContact O-N 2.92Å; K111-K114 WeakPolarHBondContact O-CB 3.38Å; K111-K114 PolarHBondContact O-N 3.42Å; K111-E115 PolarHBondContact O-N 3.43Å
112	E	94.1	Very high	93.7	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-68.5	-35	-179.4	-66.5	-65.3	145.2	0	0	112.3	M90 L108 L109 K114 E115 I116 R134 I136 P155	M90-E112 WeakPolarHBondContact CG-OE1 3.15Å; L108-E112 PolarHBondContact O-N 3.01Å; L109-E112 PolarHBondContact O-N 2.99Å; E112-K114 PolarHBondContact O-N 2.92Å; E112-E115 PolarHBondContact O-N 2.8Å; E112-I116 WeakPolarHBondContact O-CG1 3.43Å; E112-I116 PolarHBondContact O-N 2.87Å; E112-I116 VanDerWaalsContact O-N 3.08Å; E112-R134 IonicContact OE2-CZ 3.9Å; E112-R134 IonicContact OE2-NE 3.79Å; E112-R134 PolarHBondContact OE2-NE 2.91Å; E112-R134 IonicContact OE2-NH2 3.87Å; E112-R134 PolarHBondContact OE2-NH2 3.47Å; E112-I136 HydrophobicContact CB-CD1 4.05Å; E112-I136 HydrophobicContact CB-CG1 4.33Å; E112-I136 HydrophobicContact CG-CD1 3.51Å; E112-I136 HydrophobicContact CG-CG1 3.55Å; E112-P155 HydrophobicContact CB-CB 4.47Å; E112-P155 HydrophobicContact CB-CG 3.88Å
113	A	94.4	Very high	93.4	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-36.4	174.4	0	0	0	0	0	111.7	L109 K111 I116 W117 L157 S304	L109-A113 WeakPolarHBondContact O-CB 3.31Å; L109-A113 PolarHBondContact O-N 2.76Å; K111-A113 PolarHBondContact O-N 2.92Å; A113-I116 PolarHBondContact O-N 3.47Å; A113-W117 WeakPolarHBondContact O-CB 3.28Å; A113-W117 PolarHBondContact O-N 3.3Å; A113-L157 HydrophobicContact CB-CD2 4.07Å; A113-S304 VanDerWaalsContact CB-CB 3.47Å
114	K	93.8	Very high	93.4	Very high	113 Å²	113	51.7 Å²	51.7	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-65	-41.3	174.3	-167.5	-174.6	-177.5	-155.3	0	111.8	E110 K111 E112 I116 W117 E118	E110-K114 WeakPolarHBondContact O-CB 3.46Å; E110-K114 PolarHBondContact O-N 3.47Å; K111-K114 WeakPolarHBondContact O-CB 3.38Å; K111-K114 PolarHBondContact O-N 3.42Å; E112-K114 PolarHBondContact O-N 2.92Å; K114-I116 VanDerWaalsContact C-N 3.33Å; K114-I116 PolarHBondContact O-N 3.46Å; K114-W117 WeakPolarHBondContact O-CB 3.48Å; K114-W117 PolarHBondContact O-N 3.42Å; K114-W117 VanDerWaalsContact O-N 3.17Å; K114-E118 WeakPolarHBondContact CE-OE1 3.45Å; K114-E118 HydrophobicContact CG-CG 4.41Å; K114-E118 IonicContact NZ-OE1 2.75Å; K114-E118 PolarHBondContact NZ-OE1 3.34Å; K114-E118 WeakPolarHBondContact O-CB 3.27Å; K114-E118 WeakPolarHBondContact O-CG 3.19Å; K114-E118 PolarHBondContact O-N 3.05Å
115	E	93.3	Very high	93.2	Very high	57 Å²	57	47 Å²	47	27%	0.266	25%	0.245	S	C	.	.	H	α-helix	trans	-61.2	-41.7	174.9	-68	-173.3	-158.1	0	0	112	K111 E112 W117 E118 A119 R134	K111-E115 PolarHBondContact O-N 3.43Å; E112-E115 PolarHBondContact O-N 2.8Å; E115-W117 VanDerWaalsContact C-N 3.33Å; E115-W117 PolarHBondContact O-N 3.06Å; E115-E118 PolarHBondContact O-N 2.83Å; E115-A119 WeakPolarHBondContact O-CB 3.25Å; E115-A119 PolarHBondContact O-N 2.89Å; E115-R134 IonicContact OE2-CZ 3.18Å; E115-R134 IonicContact OE2-NH1 3.49Å; E115-R134 PolarHBondContact OE2-NH1 3.01Å; E115-R134 IonicContact OE2-NH2 3.96Å; E115-R134 PolarHBondContact OE2-NH2 3.43Å
116	I	94.6	Very high	93.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-45.1	174	-63.9	169.6	0	0	0	110.2	E112 A113 K114 A119 I120 L132 R134 P155 L157	E112-I116 WeakPolarHBondContact O-CG1 3.43Å; E112-I116 PolarHBondContact O-N 2.87Å; E112-I116 VanDerWaalsContact O-N 3.08Å; A113-I116 PolarHBondContact O-N 3.47Å; K114-I116 VanDerWaalsContact C-N 3.33Å; K114-I116 PolarHBondContact O-N 3.46Å; I116-A119 PolarHBondContact O-N 3.39Å; I116-I120 HydrophobicContact CG2-CD1 4.04Å; I116-I120 VanDerWaalsContact O-CG1 3.31Å; I116-I120 WeakPolarHBondContact O-CG1 3.41Å; I116-I120 PolarHBondContact O-N 2.75Å; I116-L132 HydrophobicContact CG2-CD2 4.29Å; I116-R134 HydrophobicContact CD1-CB 4.4Å; I116-P155 HydrophobicContact CD1-CB 3.91Å; I116-L157 HydrophobicContact CG2-CD1 4.04Å
117	W	94	Very high	92.8	Very high	8 Å²	8	47 Å²	47	3%	0.03	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-44	179.5	-177.5	-107.7	0	0	0	112.9	A113 K114 E115 A119 I120 Q121 L157 V253 K257 C301 L302	A113-W117 WeakPolarHBondContact O-CB 3.28Å; A113-W117 PolarHBondContact O-N 3.3Å; K114-W117 WeakPolarHBondContact O-CB 3.48Å; K114-W117 PolarHBondContact O-N 3.42Å; K114-W117 VanDerWaalsContact O-N 3.17Å; E115-W117 VanDerWaalsContact C-N 3.33Å; E115-W117 PolarHBondContact O-N 3.06Å; W117-A119 VanDerWaalsContact C-N 3.33Å; W117-A119 PolarHBondContact O-N 3.13Å; W117-I120 WeakPolarHBondContact O-CB 3.44Å; W117-I120 PolarHBondContact O-N 2.96Å; W117-Q121 VanDerWaalsContact NE1-CD 3.3Å; W117-Q121 WeakPolarHBondContact O-CG 3.46Å; W117-Q121 PolarHBondContact O-N 2.84Å; W117-L157 HydrophobicContact CB-CD1 4.39Å; W117-L157 HydrophobicContact CE3-CD1 3.82Å; W117-V253 HydrophobicContact CE3-CG1 4.22Å; W117-V253 HydrophobicContact CZ3-CG1 3.72Å; W117-K257 HydrophobicContact CH2-CD 4.15Å; W117-K257 HydrophobicContact CH2-CG 4.42Å; W117-C301 HydrophobicContact CG-CB 4.13Å; W117-L302 HydrophobicContact CH2-CD1 4.36Å; W117-L302 HydrophobicContact CH2-CG 4.27Å; W117-L302 HydrophobicContact CZ3-CD1 3.89Å; W117-L302 HydrophobicContact CZ3-CG 4.09Å
118	E	93.5	Very high	92.5	Very high	89 Å²	89	48.5 Å²	48.5	42%	0.416	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-38.6	176.1	-73.3	172.3	-177.4	0	0	111.4	K114 E115 I120 Q121 S122	K114-E118 WeakPolarHBondContact CE-OE1 3.45Å; K114-E118 HydrophobicContact CG-CG 4.41Å; K114-E118 IonicContact NZ-OE1 2.75Å; K114-E118 PolarHBondContact NZ-OE1 3.34Å; K114-E118 WeakPolarHBondContact O-CB 3.27Å; K114-E118 WeakPolarHBondContact O-CG 3.19Å; K114-E118 PolarHBondContact O-N 3.05Å; E115-E118 PolarHBondContact O-N 2.83Å; E118-I120 VanDerWaalsContact C-N 3.33Å; E118-I120 PolarHBondContact O-N 3.03Å; E118-Q121 PolarHBondContact O-N 3.44Å; E118-S122 WeakPolarHBondContact O-CB 3.27Å; E118-S122 PolarHBondContact O-N 3.34Å; E118-S122 PolarHBondContact O-OG 3.3Å
119	A	93.4	Very high	92.3	Very high	12 Å²	12	47.9 Å²	47.9	10%	0.099	25%	0.247	C	C	.	.	H	α-helix	trans	-65.6	-35.1	174	0	0	0	0	0	112.7	E115 I116 W117 S122 G123 A124 A125 V131	E115-A119 WeakPolarHBondContact O-CB 3.25Å; E115-A119 PolarHBondContact O-N 2.89Å; I116-A119 PolarHBondContact O-N 3.39Å; W117-A119 VanDerWaalsContact C-N 3.33Å; W117-A119 PolarHBondContact O-N 3.13Å; A119-S122 PolarHBondContact O-OG 3.04Å; A119-G123 PolarHBondContact O-N 2.76Å; A119-A124 HydrophobicContact CB-CB 4.44Å; A119-A124 PolarHBondContact O-N 3.32Å; A119-A124 VanDerWaalsContact O-N 3.11Å; A119-A125 HydrophobicContact CB-CB 4.26Å; A119-A125 WeakPolarHBondContact O-CB 3.44Å; A119-A125 PolarHBondContact O-N 2.86Å; A119-V131 HydrophobicContact CB-CG1 3.7Å
120	I	92.8	Very high	91.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-67.6	-46.3	173.3	-70.5	168.7	0	0	0	110.4	I116 W117 E118 G123 A125 L132 L157 V253 L254 K257 Q258	I116-I120 HydrophobicContact CG2-CD1 4.04Å; I116-I120 VanDerWaalsContact O-CG1 3.31Å; I116-I120 WeakPolarHBondContact O-CG1 3.41Å; I116-I120 PolarHBondContact O-N 2.75Å; W117-I120 WeakPolarHBondContact O-CB 3.44Å; W117-I120 PolarHBondContact O-N 2.96Å; E118-I120 VanDerWaalsContact C-N 3.33Å; E118-I120 PolarHBondContact O-N 3.03Å; I120-G123 PolarHBondContact O-N 3.37Å; I120-A125 HydrophobicContact CG1-CB 4.3Å; I120-L132 HydrophobicContact CD1-CD2 3.99Å; I120-L132 HydrophobicContact CG1-CD2 3.85Å; I120-L157 HydrophobicContact CD1-CD1 3.88Å; I120-V253 HydrophobicContact CD1-CG1 4.18Å; I120-L254 HydrophobicContact CB-CD1 4.31Å; I120-L254 HydrophobicContact CD1-CB 4.32Å; I120-L254 HydrophobicContact CG1-CB 4.15Å; I120-L254 HydrophobicContact CG1-CD1 3.89Å; I120-L254 HydrophobicContact CG2-CB 4.35Å; I120-L254 HydrophobicContact CG2-CD1 4.19Å; I120-K257 HydrophobicContact CG2-CB 4.09Å; I120-K257 HydrophobicContact CG2-CG 4.07Å; I120-Q258 PolarHBondContact O-NE2 3.39Å
121	Q	89.9	Confident	91.7	Very high	91 Å²	91	44.9 Å²	44.9	43%	0.425	24%	0.236	S	C	.	.	H	α-helix	trans	-65.7	-42.3	-178.2	-73.8	-175.3	-32.9	0	0	112.8	W117 E118 G123	W117-Q121 VanDerWaalsContact NE1-CD 3.3Å; W117-Q121 WeakPolarHBondContact O-CG 3.46Å; W117-Q121 PolarHBondContact O-N 2.84Å; E118-Q121 PolarHBondContact O-N 3.44Å; Q121-G123 VanDerWaalsContact C-N 3.26Å; Q121-G123 PolarHBondContact O-N 2.94Å
122	S	90.6	Very high	91.7	Very high	87 Å²	87	40 Å²	40	61%	0.608	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-10.5	-179.5	58	0	0	0	0	114.1	E118 A119 A124	E118-S122 WeakPolarHBondContact O-CB 3.27Å; E118-S122 PolarHBondContact O-N 3.34Å; E118-S122 PolarHBondContact O-OG 3.3Å; A119-S122 PolarHBondContact O-OG 3.04Å; S122-A124 PolarHBondContact O-N 3.24Å; S122-A124 WeakPolarHBondContact OG-CB 3.26Å; S122-A124 PolarHBondContact OG-N 3.48Å
123	G	89.3	Confident	91.7	Very high	17 Å²	17	40.4 Å²	40.4	18%	0.175	22%	0.218	C	C	.	.	S	Bend	trans	76.2	2.2	-172.4	0	0	0	0	0	114.2	A119 I120 Q121 A125 L126	A119-G123 PolarHBondContact O-N 2.76Å; I120-G123 PolarHBondContact O-N 3.37Å; Q121-G123 VanDerWaalsContact C-N 3.26Å; Q121-G123 PolarHBondContact O-N 2.94Å; G123-A125 PolarHBondContact O-N 3.09Å; G123-L126 WeakPolarHBondContact O-CB 3.26Å; G123-L126 PolarHBondContact O-N 3.23Å
124	A	91.4	Very high	91.7	Very high	46 Å²	46	42.2 Å²	42.2	38%	0.38	22%	0.224	S	C	.	.	H	α-helix	trans	-59.9	-33.5	175.9	0	0	0	0	0	112.3	A119 S122 L126 K127 N128	A119-A124 HydrophobicContact CB-CB 4.44Å; A119-A124 PolarHBondContact O-N 3.32Å; A119-A124 VanDerWaalsContact O-N 3.11Å; S122-A124 PolarHBondContact O-N 3.24Å; S122-A124 WeakPolarHBondContact OG-CB 3.26Å; S122-A124 PolarHBondContact OG-N 3.48Å; A124-L126 PolarHBondContact O-N 3.5Å; A124-K127 PolarHBondContact O-N 3.15Å; A124-N128 PolarHBondContact O-N 3.29Å
125	A	92	Very high	91.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66	-19	176	0	0	0	0	0	113.8	A119 I120 G123 N128 P129 L132 L254	A119-A125 HydrophobicContact CB-CB 4.26Å; A119-A125 WeakPolarHBondContact O-CB 3.44Å; A119-A125 PolarHBondContact O-N 2.86Å; I120-A125 HydrophobicContact CG1-CB 4.3Å; G123-A125 PolarHBondContact O-N 3.09Å; A125-N128 CarbonylContact O-C 3.58Å; A125-P129 WeakPolarHBondContact O-CA 3.49Å; A125-L132 HydrophobicContact CB-CD2 4.02Å; A125-L132 HydrophobicContact CB-CG 4.39Å; A125-L254 HydrophobicContact CB-CD1 3.65Å
126	L	90.3	Very high	92.1	Very high	32 Å²	32	34.1 Å²	34.1	17%	0.168	19%	0.188	C	C	.	.	H	α-helix	trans	-75.9	-40.5	174	-63.1	175.4	0	0	0	111.5	G123 A124 L217 L254 W259	G123-L126 WeakPolarHBondContact O-CB 3.26Å; G123-L126 PolarHBondContact O-N 3.23Å; A124-L126 PolarHBondContact O-N 3.5Å; L126-L217 HydrophobicContact CD2-CB 4.36Å; L126-L254 HydrophobicContact CD2-CD1 4.11Å; L126-L254 HydrophobicContact CD2-CD2 3.85Å; L126-L254 HydrophobicContact CD2-CG 4.33Å; L126-W259 HydrophobicContact CD1-CH2 4Å; L126-W259 HydrophobicContact CD1-CZ2 4.39Å; L126-W259 HydrophobicContact CD2-CH2 3.63Å; L126-W259 HydrophobicContact CD2-CZ3 4.17Å; L126-W259 HydrophobicContact CG-CH2 4.49Å
127	K	88.6	Confident	92.2	Very high	153 Å²	153	34.1 Å²	34.1	67%	0.665	19%	0.188	S	C	*	.	H	α-helix	trans	-73	-41.7	177.6	-62.7	-175.9	-176.3	-176.9	0	111.9	A124 R195	A124-K127 PolarHBondContact O-N 3.15Å; K127-R195 PolarHBondContact O-NH2 3.05Å
128	N	88.3	Confident	92.4	Very high	75 Å²	75	33.8 Å²	33.8	40%	0.401	19%	0.187	S	C	.	.			trans	-125.9	85.8	176.5	-172.4	2.9	0	0	0	111.6	A124 A125 S130 V131	A124-N128 PolarHBondContact O-N 3.29Å; A125-N128 CarbonylContact O-C 3.58Å; N128-S130 PolarHBondContact O-N 3Å; N128-S130 WeakPolarHBondContact OD1-CB 3.49Å; N128-S130 PolarHBondContact OD1-N 3.21Å; N128-V131 HydrophobicContact CB-CG2 4.41Å; N128-V131 WeakPolarHBondContact O-CG2 3.48Å; N128-V131 PolarHBondContact O-N 3.29Å
129	P	89.6	Confident	92.6	Very high	13 Å²	13	29.6 Å²	29.6	8%	0.084	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-65.7	-18.3	-177.9	-23.8	35.8	0	0	0	114.9	A125 V131 L132 F202 L217	A125-P129 WeakPolarHBondContact O-CA 3.49Å; P129-V131 PolarHBondContact O-N 3.47Å; P129-V131 VanDerWaalsContact O-N 3.11Å; P129-L132 WeakPolarHBondContact O-CB 3.49Å; P129-L132 WeakPolarHBondContact O-CG 3.24Å; P129-L132 PolarHBondContact O-N 3.23Å; P129-F202 HydrophobicContact CB-CB 4.46Å; P129-F202 HydrophobicContact CB-CD2 3.56Å; P129-F202 HydrophobicContact CB-CE2 4.33Å; P129-F202 HydrophobicContact CB-CG 4.48Å; P129-F202 WeakPolarHBondContact O-CE2 3.48Å; P129-L217 HydrophobicContact CB-CD1 4.06Å; P129-L217 HydrophobicContact CG-CB 4.49Å; P129-L217 HydrophobicContact CG-CD1 3.95Å; P129-L217 HydrophobicContact CG-CG 4.43Å
130	S	86.9	Confident	92.7	Very high	20 Å²	20	30 Å²	30	14%	0.14	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-61.1	-21.7	178.7	-54.7	0	0	0	0	113.1	N128 L132 C133	N128-S130 PolarHBondContact O-N 3Å; N128-S130 WeakPolarHBondContact OD1-CB 3.49Å; N128-S130 PolarHBondContact OD1-N 3.21Å; S130-L132 PolarHBondContact O-N 3.28Å; S130-C133 PolarHBondContact O-N 3.49Å; S130-C133 VanDerWaalsContact O-N 3.07Å
131	V	91.7	Very high	92.8	Very high	24 Å²	24	30.3 Å²	30.3	15%	0.145	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-61.8	-23.1	174.3	-179.9	0	0	0	0	112.2	A119 N128 P129 C133 R134	A119-V131 HydrophobicContact CB-CG1 3.7Å; N128-V131 HydrophobicContact CB-CG2 4.41Å; N128-V131 WeakPolarHBondContact O-CG2 3.48Å; N128-V131 PolarHBondContact O-N 3.29Å; P129-V131 PolarHBondContact O-N 3.47Å; P129-V131 VanDerWaalsContact O-N 3.11Å; V131-C133 VanDerWaalsContact C-N 3.26Å; V131-C133 PolarHBondContact O-N 3.42Å; V131-R134 WeakPolarHBondContact O-CD 3.47Å; V131-R134 VanDerWaalsContact O-CG 3.3Å; V131-R134 WeakPolarHBondContact O-CG 3.42Å
132	L	93.8	Very high	93	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-72.1	-20.5	176.4	-59.3	175.2	0	0	0	112.7	I116 I120 A125 P129 S130 F202 N250 L251	I116-L132 HydrophobicContact CG2-CD2 4.29Å; I120-L132 HydrophobicContact CD1-CD2 3.99Å; I120-L132 HydrophobicContact CG1-CD2 3.85Å; A125-L132 HydrophobicContact CB-CD2 4.02Å; A125-L132 HydrophobicContact CB-CG 4.39Å; P129-L132 WeakPolarHBondContact O-CB 3.49Å; P129-L132 WeakPolarHBondContact O-CG 3.24Å; P129-L132 PolarHBondContact O-N 3.23Å; S130-L132 PolarHBondContact O-N 3.28Å; L132-F202 HydrophobicContact CB-CE2 3.91Å; L132-F202 HydrophobicContact CB-CZ 4.19Å; L132-F202 HydrophobicContact CD1-CD2 4.17Å; L132-F202 HydrophobicContact CD1-CE2 3.85Å; L132-F202 HydrophobicContact CD1-CZ 4.31Å; L132-F202 HydrophobicContact CG-CE2 4.42Å; L132-N250 HydrophobicContact CB-CB 4.04Å; L132-N250 HydrophobicContact CD2-CB 4.18Å; L132-N250 PolarHBondContact O-ND2 3.36Å; L132-L251 HydrophobicContact CD1-CD1 4.35Å
133	C	93.3	Very high	93.1	Very high	8 Å²	8	25.5 Å²	25.5	5%	0.054	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-110	52.3	-177.7	-68.3	0	0	0	0	111.6	Y55 A87 S130 V131	Y55-C133 HydrophobicContact CE1-CB 4.17Å; A87-C133 WeakPolarHBondContact CB-O 3.36Å; S130-C133 PolarHBondContact O-N 3.49Å; S130-C133 VanDerWaalsContact O-N 3.07Å; V131-C133 VanDerWaalsContact C-N 3.26Å; V131-C133 PolarHBondContact O-N 3.42Å
134	R	94.9	Very high	93	Very high	39 Å²	39	33.9 Å²	33.9	15%	0.147	17%	0.171	C	C	.	.			trans	-83.6	158.8	177	-71.7	177	73.1	151.6	-4.9	112.7	L88 E112 E115 I116 V131 P155	L88-R134 WeakPolarHBondContact O-CA 3.37Å; E112-R134 IonicContact OE2-CZ 3.9Å; E112-R134 IonicContact OE2-NE 3.79Å; E112-R134 PolarHBondContact OE2-NE 2.91Å; E112-R134 IonicContact OE2-NH2 3.87Å; E112-R134 PolarHBondContact OE2-NH2 3.47Å; E115-R134 IonicContact OE2-CZ 3.18Å; E115-R134 IonicContact OE2-NH1 3.49Å; E115-R134 PolarHBondContact OE2-NH1 3.01Å; E115-R134 IonicContact OE2-NH2 3.96Å; E115-R134 PolarHBondContact OE2-NH2 3.43Å; I116-R134 HydrophobicContact CD1-CB 4.4Å; V131-R134 WeakPolarHBondContact O-CD 3.47Å; V131-R134 VanDerWaalsContact O-CG 3.3Å; V131-R134 WeakPolarHBondContact O-CG 3.42Å; R134-P155 WeakPolarHBondContact O-CD 3.29Å
135	F	96.8	Very high	92.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	162.1	174.8	73.3	-86.8	0	0	0	113	I51 L67 L69 A87 L88 G89 M90 L137 F152 C153 F154	I51-F135 HydrophobicContact CD1-CE2 3.53Å; I51-F135 HydrophobicContact CD1-CZ 3.71Å; I51-F135 HydrophobicContact CG1-CE2 4.02Å; I51-F135 HydrophobicContact CG1-CZ 3.8Å; L67-F135 HydrophobicContact CD1-CD1 4.08Å; L67-F135 HydrophobicContact CD1-CG 4.48Å; L67-F135 HydrophobicContact CD2-CD1 4.22Å; L67-F135 HydrophobicContact CD2-CE1 4.27Å; L67-F135 HydrophobicContact CD2-CG 4.44Å; L69-F135 HydrophobicContact CD1-CE2 4.2Å; L69-F135 HydrophobicContact CD1-CZ 4.43Å; L69-F135 HydrophobicContact CD2-CE1 4.47Å; L69-F135 HydrophobicContact CD2-CE2 4.24Å; L69-F135 HydrophobicContact CD2-CZ 3.71Å; A87-F135 HydrophobicContact CB-CD1 4.17Å; A87-F135 HydrophobicContact CB-CE1 4.36Å; A87-F135 WeakPolarHBondContact O-CE1 3.15Å; L88-F135 PolarHBondContact O-N 2.98Å; L88-F135 VanDerWaalsContact O-N 3.14Å; G89-F135 CarbonylContact C-O 3.6Å; G89-F135 WeakPolarHBondContact CA-O 3.44Å; M90-F135 PolarHBondContact N-O 3.2Å; F135-L137 HydrophobicContact CE2-CB 4.28Å; F135-F152 AromaticContact CD2-CD1 3.9Å; F135-F152 HydrophobicContact CD2-CD1 3.9Å; F135-F152 AromaticContact CD2-CE1 3.65Å; F135-F152 HydrophobicContact CD2-CE1 3.65Å; F135-F152 AromaticContact CE2-CE1 3.84Å; F135-F152 HydrophobicContact CE2-CE1 3.84Å; F135-C153 CarbonylContact C-O 3.48Å; F135-C153 VanDerWaalsContact CA-O 3.27Å; F135-C153 WeakPolarHBondContact CA-O 3.3Å; F135-C153 WeakPolarHBondContact CB-O 3.32Å; F135-F154 HydrophobicContact CB-CD1 3.72Å; F135-F154 HydrophobicContact CB-CE1 4.02Å
136	I	97.6	Very high	92.9	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.6	172.5	-54.2	169.6	0	0	0	107.7	M90 Y92 L108 E112 F152 C153 P155	M90-I136 WeakPolarHBondContact O-CA 3.38Å; Y92-I136 HydrophobicContact CD2-CG2 3.61Å; Y92-I136 HydrophobicContact CE2-CG2 3.75Å; L108-I136 HydrophobicContact CB-CD1 4.34Å; L108-I136 WeakPolarHBondContact O-CD1 3.26Å; E112-I136 HydrophobicContact CB-CD1 4.05Å; E112-I136 HydrophobicContact CB-CG1 4.33Å; E112-I136 HydrophobicContact CG-CD1 3.51Å; E112-I136 HydrophobicContact CG-CG1 3.55Å; I136-F152 WeakPolarHBondContact O-CA 3.31Å; I136-C153 HydrophobicContact CB-CB 3.92Å; I136-C153 HydrophobicContact CD1-CB 4.18Å; I136-C153 HydrophobicContact CG1-CB 4.35Å; I136-C153 PolarHBondContact N-O 2.72Å; I136-C153 PolarHBondContact O-N 3.41Å; I136-P155 HydrophobicContact CD1-CG 4.17Å; I136-P155 HydrophobicContact CG1-CG 4.31Å
137	L	97.7	Very high	93.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	105	170.3	176.6	49.7	0	0	0	109.2	L26 F30 I51 L69 M90 L91 Y92 F135 T139 Y150 F152	L26-L137 HydrophobicContact CD2-CD2 4.03Å; F30-L137 HydrophobicContact CE1-CD2 4Å; F30-L137 HydrophobicContact CE2-CD2 4.32Å; F30-L137 HydrophobicContact CZ-CD2 3.5Å; I51-L137 HydrophobicContact CD1-CB 4.12Å; I51-L137 HydrophobicContact CD1-CD2 4.01Å; L69-L137 HydrophobicContact CD1-CD2 3.5Å; L69-L137 VanDerWaalsContact CD1-CD2 3.5Å; M90-L137 PolarHBondContact O-N 3.24Å; L91-L137 CarbonylContact C-O 3.54Å; L91-L137 WeakPolarHBondContact CA-O 3.45Å; L91-L137 HydrophobicContact CD1-CB 4.23Å; L91-L137 HydrophobicContact CD1-CD2 4Å; L91-L137 HydrophobicContact CD1-CG 3.8Å; Y92-L137 PolarHBondContact N-O 3.07Å; F135-L137 HydrophobicContact CE2-CB 4.28Å; L137-T139 HydrophobicContact CD1-CG2 3.6Å; L137-T139 HydrophobicContact CD2-CG2 4.19Å; L137-T139 HydrophobicContact CG-CG2 3.59Å; L137-Y150 HydrophobicContact CD1-CD2 4.37Å; L137-F152 HydrophobicContact CB-CE1 4.48Å; L137-F152 HydrophobicContact CB-CZ 4.44Å; L137-F152 HydrophobicContact CD1-CD2 3.7Å; L137-F152 HydrophobicContact CD1-CE2 3.38Å; L137-F152 HydrophobicContact CD1-CG 4.39Å; L137-F152 HydrophobicContact CD1-CZ 3.9Å; L137-F152 HydrophobicContact CD2-CE2 4.11Å; L137-F152 HydrophobicContact CD2-CZ 3.87Å; L137-F152 HydrophobicContact CG-CE2 4.24Å; L137-F152 HydrophobicContact CG-CZ 4.27Å
138	L	97.7	Very high	93.4	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.3	171.8	-179.9	68.7	0	0	0	108.7	Y92 T94 F100 A103 K105 L108 Y150 W151 W307	Y92-L138 CarbonylContact O-C 3.5Å; Y92-L138 WeakPolarHBondContact O-CA 3.47Å; T94-L138 HydrophobicContact CG2-CD1 4.47Å; F100-L138 HydrophobicContact CD2-CD1 4.42Å; F100-L138 HydrophobicContact CD2-CD2 4.08Å; F100-L138 HydrophobicContact CD2-CG 3.79Å; F100-L138 HydrophobicContact CE2-CB 4.41Å; F100-L138 HydrophobicContact CE2-CD2 3.95Å; F100-L138 HydrophobicContact CE2-CG 3.67Å; A103-L138 HydrophobicContact CB-CD1 4.29Å; A103-L138 HydrophobicContact CB-CD2 4.14Å; K105-L138 HydrophobicContact CG-CD2 4.47Å; L108-L138 HydrophobicContact CD1-CD1 4.44Å; L138-Y150 CarbonylContact O-C 3.58Å; L138-Y150 WeakPolarHBondContact O-CA 3.36Å; L138-W151 PolarHBondContact N-O 3.4Å; L138-W151 PolarHBondContact O-N 3.25Å; L138-W307 HydrophobicContact CB-CH2 4.28Å; L138-W307 HydrophobicContact CB-CZ3 4.49Å
139	T	97.4	Very high	93.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	155	-177.3	65.5	0	0	0	0	113.8	W31 L91 Y92 N93 T94 L137 Y149	W31-T139 HydrophobicContact CZ3-CG2 4.49Å; L91-T139 HydrophobicContact CD1-CG2 3.81Å; Y92-T139 PolarHBondContact O-N 3.45Å; N93-T139 WeakPolarHBondContact CA-OG1 3.48Å; N93-T139 WeakPolarHBondContact CB-OG1 3.31Å; N93-T139 PolarHBondContact OD1-OG1 3.23Å; T94-T139 PolarHBondContact N-O 3.41Å; T94-T139 PolarHBondContact OG1-O 3Å; L137-T139 HydrophobicContact CD1-CG2 3.6Å; L137-T139 HydrophobicContact CD2-CG2 4.19Å; L137-T139 HydrophobicContact CG-CG2 3.59Å; T139-Y149 CarbonylContact C-O 3.51Å; T139-Y149 VanDerWaalsContact CA-O 3.26Å; T139-Y149 WeakPolarHBondContact CA-O 3.29Å
140	F	96.9	Very high	94.2	Very high	22 Å²	22	33.4 Å²	33.4	10%	0.096	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	123.4	162	165.8	-107.2	0	0	0	108.2	N95 T96 L97 F100 D142 Y149	N95-F140 WeakPolarHBondContact O-CE2 3.41Å; T96-F140 VanDerWaalsContact C-CD2 3.46Å; L97-F140 HydrophobicContact CB-CD1 4.02Å; L97-F140 HydrophobicContact CB-CE1 3.74Å; L97-F140 HydrophobicContact CB-CE2 4.49Å; L97-F140 HydrophobicContact CB-CZ 4Å; L97-F140 HydrophobicContact CD1-CD1 3.69Å; L97-F140 HydrophobicContact CD1-CE1 4.04Å; L97-F140 HydrophobicContact CD1-CG 4.43Å; L97-F140 HydrophobicContact CG-CD1 4.43Å; L97-F140 HydrophobicContact CG-CE1 4.38Å; F100-F140 HydrophobicContact CB-CB 3.83Å; F100-F140 HydrophobicContact CD2-CB 3.86Å; F100-F140 HydrophobicContact CG-CB 3.88Å; F140-D142 HydrophobicContact CE1-CB 4.13Å; F140-D142 HydrophobicContact CZ-CB 4.24Å; F140-Y149 AromaticContact CD1-CD2 3.6Å; F140-Y149 HydrophobicContact CD1-CD2 3.6Å; F140-Y149 HydrophobicContact CD1-CE2 4.24Å; F140-Y149 HydrophobicContact CD1-CG 4.28Å; F140-Y149 HydrophobicContact CE1-CD2 4.09Å; F140-Y149 HydrophobicContact CE1-CE2 4.3Å; F140-Y149 PolarHBondContact N-O 2.94Å; F140-Y149 PolarHBondContact O-N 2.74Å
141	A	95	Very high	94.7	Very high	6 Å²	6	33.5 Å²	33.5	5%	0.05	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	111.9	-179.4	0	0	0	0	0	110.4	K38 L143 F148	K38-A141 HydrophobicContact CD-CB 4.33Å; A141-L143 HydrophobicContact CB-CD2 3.84Å; A141-L143 PolarHBondContact O-N 3.36Å; A141-F148 HydrophobicContact CB-CD1 3.57Å; A141-F148 HydrophobicContact CB-CE1 3.73Å
142	D	93.9	Very high	94.9	Very high	37 Å²	37	32.3 Å²	32.3	20%	0.198	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	91.7	167.7	-176.1	-18.8	0	0	0	108.6	F140 K144 K145 Y146 H147	F140-D142 HydrophobicContact CE1-CB 4.13Å; F140-D142 HydrophobicContact CZ-CB 4.24Å; D142-K144 PolarHBondContact O-N 3.33Å; D142-K144 WeakPolarHBondContact OD1-CB 3.29Å; D142-K144 PolarHBondContact OD1-N 2.94Å; D142-K145 PolarHBondContact O-N 3.14Å; D142-K145 PolarHBondContact OD1-N 3.03Å; D142-K145 VanDerWaalsContact OD1-N 3.09Å; D142-K145 WeakPolarHBondContact OD2-CD 3.5Å; D142-Y146 VanDerWaalsContact O-CA 3.28Å; D142-Y146 WeakPolarHBondContact O-CA 3.49Å; D142-Y146 PolarHBondContact O-N 2.97Å; D142-H147 HydrophobicContact CB-CB 4.28Å; D142-H147 WeakPolarHBondContact CB-O 3.38Å; D142-H147 PolarHBondContact N-O 3Å; D142-H147 PolarHBondContact O-N 3.32Å
143	L	90.9	Very high	95.1	Very high	39 Å²	39	32.2 Å²	32.2	20%	0.204	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-9.8	-176.9	-56.6	-174.4	0	0	0	113.7	T35 K38 L39 A141 F148	T35-L143 HydrophobicContact CG2-CD1 4.32Å; T35-L143 HydrophobicContact CG2-CD2 3.74Å; K38-L143 HydrophobicContact CD-CD1 4.21Å; K38-L143 HydrophobicContact CG-CD1 4.41Å; L39-L143 HydrophobicContact CD1-CD1 4.31Å; L39-L143 HydrophobicContact CD2-CD1 3.71Å; L39-L143 HydrophobicContact CG-CD1 3.77Å; A141-L143 HydrophobicContact CB-CD2 3.84Å; A141-L143 PolarHBondContact O-N 3.36Å; L143-F148 HydrophobicContact CD2-CE1 4.12Å; L143-F148 HydrophobicContact CD2-CZ 4.49Å
144	K	89.1	Confident	95.2	Very high	193 Å²	193	32.1 Å²	32.1	84%	0.839	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-38	175.1	-66.5	-177.8	178.3	-179.9	0	111.3	D142	D142-K144 PolarHBondContact O-N 3.33Å; D142-K144 WeakPolarHBondContact OD1-CB 3.29Å; D142-K144 PolarHBondContact OD1-N 2.94Å
145	K	88.7	Confident	95.3	Very high	128 Å²	128	30.3 Å²	30.3	56%	0.557	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-8.4	179.7	-62	-175.7	-177	175	0	113.5	D142 H147	D142-K145 PolarHBondContact O-N 3.14Å; D142-K145 PolarHBondContact OD1-N 3.03Å; D142-K145 VanDerWaalsContact OD1-N 3.09Å; D142-K145 WeakPolarHBondContact OD2-CD 3.5Å; K145-H147 HydrophobicContact CB-CB 4.42Å; K145-H147 PolarHBondContact O-CD2 3.32Å; K145-H147 PolarHBondContact O-N 3.42Å
146	Y	91.6	Very high	95.2	Very high	47 Å²	47	30.3 Å²	30.3	18%	0.184	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	39.1	-170.1	-57.6	-88.6	0	0	0	112	D142 F148 L322 M326 D327	D142-Y146 VanDerWaalsContact O-CA 3.28Å; D142-Y146 WeakPolarHBondContact O-CA 3.49Å; D142-Y146 PolarHBondContact O-N 2.97Å; Y146-F148 WeakPolarHBondContact O-CE2 3.46Å; Y146-L322 PolarHBondContact O-N 2.91Å; Y146-M326 HydrophobicContact CD1-CB 3.39Å; Y146-M326 HydrophobicContact CD1-CG 4.31Å; Y146-M326 HydrophobicContact CD1-SD 4.04Å; Y146-M326 HydrophobicContact CE1-CB 3.7Å; Y146-M326 HydrophobicContact CG-CB 3.92Å; Y146-D327 HydrophobicContact CD2-CB 3.95Å; Y146-D327 HydrophobicContact CE2-CB 3.82Å
147	H	94.8	Very high	95	Very high	43 Å²	43	30.5 Å²	30.5	20%	0.199	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.8	173.6	-67.6	169.6	0	0	0	109.2	D142 K145 Y149 N321	D142-H147 HydrophobicContact CB-CB 4.28Å; D142-H147 WeakPolarHBondContact CB-O 3.38Å; D142-H147 PolarHBondContact N-O 3Å; D142-H147 PolarHBondContact O-N 3.32Å; K145-H147 HydrophobicContact CB-CB 4.42Å; K145-H147 PolarHBondContact O-CD2 3.32Å; K145-H147 PolarHBondContact O-N 3.42Å; H147-Y149 HydrophobicContact CB-CE2 4.04Å; H147-N321 PolarHBondContact CD2-OD1 3.01Å; H147-N321 VanDerWaalsContact CD2-OD1 3.32Å; H147-N321 PolarHBondContact NE2-OD1 2.93Å
148	F	95.8	Very high	94.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.3	-177.7	-57.5	-91.9	0	0	0	109.6	W31 A141 L143 Y146 M319 V320 L322 M326	W31-F148 HydrophobicContact CB-CE1 4.45Å; W31-F148 HydrophobicContact CB-CE2 4.36Å; W31-F148 HydrophobicContact CB-CZ 4.28Å; W31-F148 HydrophobicContact CD2-CB 4.12Å; W31-F148 HydrophobicContact CD2-CD1 4.17Å; W31-F148 HydrophobicContact CD2-CD2 4.39Å; W31-F148 AromaticContact CD2-CG 3.97Å; W31-F148 HydrophobicContact CD2-CG 3.97Å; W31-F148 HydrophobicContact CE3-CB 3.63Å; W31-F148 AromaticContact CE3-CD1 3.35Å; W31-F148 HydrophobicContact CE3-CD1 3.35Å; W31-F148 HydrophobicContact CE3-CD2 4.32Å; W31-F148 HydrophobicContact CE3-CE1 4.05Å; W31-F148 AromaticContact CE3-CG 3.51Å; W31-F148 HydrophobicContact CE3-CG 3.51Å; W31-F148 HydrophobicContact CH2-CB 3.94Å; W31-F148 HydrophobicContact CZ2-CB 4.36Å; W31-F148 HydrophobicContact CZ3-CB 3.55Å; W31-F148 AromaticContact CZ3-CD1 3.84Å; W31-F148 HydrophobicContact CZ3-CD1 3.84Å; W31-F148 AromaticContact CZ3-CG 3.93Å; W31-F148 HydrophobicContact CZ3-CG 3.93Å; A141-F148 HydrophobicContact CB-CD1 3.57Å; A141-F148 HydrophobicContact CB-CE1 3.73Å; L143-F148 HydrophobicContact CD2-CE1 4.12Å; L143-F148 HydrophobicContact CD2-CZ 4.49Å; Y146-F148 WeakPolarHBondContact O-CE2 3.46Å; F148-M319 CarbonylContact O-C 3.56Å; F148-M319 VanDerWaalsContact O-CA 3.28Å; F148-M319 WeakPolarHBondContact O-CA 3.33Å; F148-V320 HydrophobicContact CB-CG1 3.8Å; F148-V320 HydrophobicContact CD2-CG1 4.34Å; F148-V320 PolarHBondContact N-O 3.33Å; F148-V320 PolarHBondContact O-N 2.91Å; F148-L322 HydrophobicContact CD2-CB 4.45Å; F148-L322 HydrophobicContact CD2-CD1 3.99Å; F148-L322 HydrophobicContact CD2-CG 4.28Å; F148-L322 HydrophobicContact CE2-CB 4.11Å; F148-L322 HydrophobicContact CE2-CD1 3.94Å; F148-L322 HydrophobicContact CE2-CG 4.33Å; F148-M326 HydrophobicContact CE2-SD 3.75Å; F148-M326 HydrophobicContact CZ-CE 4.31Å; F148-M326 HydrophobicContact CZ-SD 3.91Å
149	Y	96.5	Very high	94.1	Very high	64 Å²	64	33.2 Å²	33.2	25%	0.251	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.1	174.8	-62.2	-99.2	0	0	0	108.2	L97 T139 F140 H147 R318 M319	L97-Y149 HydrophobicContact CD1-CG 4.43Å; T139-Y149 CarbonylContact C-O 3.51Å; T139-Y149 VanDerWaalsContact CA-O 3.26Å; T139-Y149 WeakPolarHBondContact CA-O 3.29Å; F140-Y149 AromaticContact CD1-CD2 3.6Å; F140-Y149 HydrophobicContact CD1-CD2 3.6Å; F140-Y149 HydrophobicContact CD1-CE2 4.24Å; F140-Y149 HydrophobicContact CD1-CG 4.28Å; F140-Y149 HydrophobicContact CE1-CD2 4.09Å; F140-Y149 HydrophobicContact CE1-CE2 4.3Å; F140-Y149 PolarHBondContact N-O 2.94Å; F140-Y149 PolarHBondContact O-N 2.74Å; H147-Y149 HydrophobicContact CB-CE2 4.04Å; Y149-R318 WeakPolarHBondContact CA-O 3.34Å; Y149-M319 HydrophobicContact CD1-CB 3.86Å; Y149-M319 HydrophobicContact CD1-CG 3.86Å; Y149-M319 HydrophobicContact CD2-CG 4.37Å; Y149-M319 HydrophobicContact CE1-CB 3.91Å; Y149-M319 HydrophobicContact CE1-CG 3.61Å; Y149-M319 HydrophobicContact CE2-CG 4.16Å; Y149-M319 HydrophobicContact CG-CB 4.48Å; Y149-M319 HydrophobicContact CG-CG 4.24Å
150	Y	96.8	Very high	93.3	Very high	27 Å²	27	38.5 Å²	38.5	11%	0.106	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	157.5	-177.7	69.7	-86	0	0	0	113	L26 W31 L137 L138 F152 P317 R318 V320	L26-Y150 HydrophobicContact CD1-CD2 3.93Å; L26-Y150 HydrophobicContact CD1-CE1 4.4Å; L26-Y150 HydrophobicContact CD1-CE2 3.42Å; L26-Y150 VanDerWaalsContact CD1-CE2 3.42Å; W31-Y150 AromaticContact CH2-CD1 3.59Å; W31-Y150 HydrophobicContact CH2-CD1 3.59Å; W31-Y150 HydrophobicContact CH2-CE1 4.35Å; W31-Y150 AromaticContact CH2-CG 3.81Å; W31-Y150 HydrophobicContact CH2-CG 3.81Å; W31-Y150 AromaticContact CZ2-CD1 3.63Å; W31-Y150 HydrophobicContact CZ2-CD1 3.63Å; W31-Y150 AromaticContact CZ2-CE1 3.92Å; W31-Y150 HydrophobicContact CZ2-CE1 3.92Å; W31-Y150 HydrophobicContact CZ2-CG 4.12Å; L137-Y150 HydrophobicContact CD1-CD2 4.37Å; L138-Y150 CarbonylContact O-C 3.58Å; L138-Y150 WeakPolarHBondContact O-CA 3.36Å; Y150-F152 AromaticContact CD2-CD2 3.89Å; Y150-F152 HydrophobicContact CD2-CD2 3.89Å; Y150-F152 HydrophobicContact CD2-CE2 4.01Å; Y150-F152 HydrophobicContact CE2-CD2 4.15Å; Y150-F152 HydrophobicContact CE2-CE2 4.27Å; Y150-P317 CarbonylContact O-C 3.58Å; Y150-P317 WeakPolarHBondContact O-CA 3.29Å; Y150-P317 WeakPolarHBondContact O-CB 3.43Å; Y150-R318 HydrophobicContact CD1-CB 4.22Å; Y150-R318 HydrophobicContact CD2-CB 4.39Å; Y150-R318 HydrophobicContact CE1-CB 3.69Å; Y150-R318 HydrophobicContact CE2-CB 3.87Å; Y150-R318 HydrophobicContact CE2-CG 4.32Å; Y150-R318 VanDerWaalsContact CZ-CB 3.49Å; Y150-R318 PolarHBondContact N-O 2.98Å; Y150-R318 PolarHBondContact O-N 3.41Å; Y150-R318 WeakPolarHBondContact OH-CD 3.27Å; Y150-V320 HydrophobicContact CE1-CG1 4.29Å
151	W	97.2	Very high	92.6	Very high	22 Å²	22	44.9 Å²	44.9	8%	0.083	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	120.4	174.7	-159.6	-1.8	0	0	0	110	K105 L138 W307 E308 M315 G316 P317	K105-W151 HydrophobicContact CD-CE3 4.34Å; K105-W151 HydrophobicContact CD-CH2 4.46Å; K105-W151 HydrophobicContact CD-CZ3 3.68Å; K105-W151 HydrophobicContact CG-CE3 4.4Å; K105-W151 HydrophobicContact CG-CZ3 4.13Å; L138-W151 PolarHBondContact N-O 3.4Å; L138-W151 PolarHBondContact O-N 3.25Å; W151-W307 HydrophobicContact CB-CE3 4.22Å; W151-W307 HydrophobicContact CB-CZ3 3.82Å; W151-W307 AromaticContact CD1-CE3 3.59Å; W151-W307 HydrophobicContact CD2-CD2 4.35Å; W151-W307 AromaticContact CD2-CE3 3.53Å; W151-W307 HydrophobicContact CD2-CE3 3.53Å; W151-W307 AromaticContact CD2-CZ3 3.85Å; W151-W307 HydrophobicContact CD2-CZ3 3.85Å; W151-W307 AromaticContact CE2-CE3 3.62Å; W151-W307 HydrophobicContact CE3-CE3 4.22Å; W151-W307 HydrophobicContact CE3-CZ3 4.31Å; W151-W307 AromaticContact CG-CE3 3.51Å; W151-W307 HydrophobicContact CG-CE3 3.51Å; W151-W307 AromaticContact CG-CZ3 3.63Å; W151-W307 HydrophobicContact CG-CZ3 3.63Å; W151-W307 HydrophobicContact CZ2-CB 4.06Å; W151-W307 HydrophobicContact CZ2-CD2 4.44Å; W151-W307 HydrophobicContact CZ2-CE3 4.33Å; W151-W307 HydrophobicContact CZ2-CG 4.36Å; W151-W307 AromaticContact NE1-CE3 3.64Å; W151-E308 PolarHBondContact NE1-O 3.09Å; W151-M315 HydrophobicContact CZ2-CB 4.41Å; W151-G316 PolarHBondContact NE1-O 3.37Å; W151-P317 HydrophobicContact CB-CB 4.15Å; W151-P317 HydrophobicContact CE3-CB 4.42Å; W151-P317 HydrophobicContact CG-CB 4.42Å
152	F	97.1	Very high	91.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	144.8	173	-86.4	-102.3	0	0	0	111.6	S24 L26 L67 L69 F135 I136 L137 Y150 F154 E308	S24-F152 VanDerWaalsContact CB-CE2 3.49Å; L26-F152 HydrophobicContact CD1-CD2 4.42Å; L26-F152 HydrophobicContact CD1-CE2 3.53Å; L26-F152 HydrophobicContact CD1-CZ 4.19Å; L26-F152 HydrophobicContact CD2-CE2 3.81Å; L26-F152 HydrophobicContact CD2-CZ 3.98Å; L26-F152 HydrophobicContact CG-CE2 3.9Å; L26-F152 HydrophobicContact CG-CZ 4.1Å; L67-F152 HydrophobicContact CD2-CE1 4.16Å; L69-F152 HydrophobicContact CD1-CE1 4.12Å; L69-F152 HydrophobicContact CD1-CZ 3.58Å; L69-F152 HydrophobicContact CG-CE1 4.47Å; L69-F152 HydrophobicContact CG-CZ 4.08Å; F135-F152 AromaticContact CD2-CD1 3.9Å; F135-F152 HydrophobicContact CD2-CD1 3.9Å; F135-F152 AromaticContact CD2-CE1 3.65Å; F135-F152 HydrophobicContact CD2-CE1 3.65Å; F135-F152 AromaticContact CE2-CE1 3.84Å; F135-F152 HydrophobicContact CE2-CE1 3.84Å; I136-F152 WeakPolarHBondContact O-CA 3.31Å; L137-F152 HydrophobicContact CB-CE1 4.48Å; L137-F152 HydrophobicContact CB-CZ 4.44Å; L137-F152 HydrophobicContact CD1-CD2 3.7Å; L137-F152 HydrophobicContact CD1-CE2 3.38Å; L137-F152 HydrophobicContact CD1-CG 4.39Å; L137-F152 HydrophobicContact CD1-CZ 3.9Å; L137-F152 HydrophobicContact CD2-CE2 4.11Å; L137-F152 HydrophobicContact CD2-CZ 3.87Å; L137-F152 HydrophobicContact CG-CE2 4.24Å; L137-F152 HydrophobicContact CG-CZ 4.27Å; Y150-F152 AromaticContact CD2-CD2 3.89Å; Y150-F152 HydrophobicContact CD2-CD2 3.89Å; Y150-F152 HydrophobicContact CD2-CE2 4.01Å; Y150-F152 HydrophobicContact CE2-CD2 4.15Å; Y150-F152 HydrophobicContact CE2-CE2 4.27Å; F152-F154 HydrophobicContact CB-CE1 4.46Å; F152-F154 HydrophobicContact CB-CE2 3.88Å; F152-F154 HydrophobicContact CB-CZ 3.78Å; F152-F154 AromaticContact CD1-CE1 3.71Å; F152-F154 HydrophobicContact CD1-CE1 3.71Å; F152-F154 AromaticContact CD1-CZ 3.61Å; F152-F154 HydrophobicContact CD1-CZ 3.61Å; F152-F154 HydrophobicContact CE1-CE1 4.46Å; F152-F154 HydrophobicContact CG-CE1 4.46Å; F152-F154 AromaticContact CG-CZ 3.95Å; F152-F154 HydrophobicContact CG-CZ 3.95Å; F152-E308 HydrophobicContact CB-CB 4.17Å; F152-E308 WeakPolarHBondContact O-CB 3.35Å; F152-E308 PolarHBondContact O-N 2.8Å
153	C	96.8	Very high	91.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.3	162.6	-165.7	0	0	0	0	108.9	F135 I136 P155 G306 W307	F135-C153 CarbonylContact C-O 3.48Å; F135-C153 VanDerWaalsContact CA-O 3.27Å; F135-C153 WeakPolarHBondContact CA-O 3.3Å; F135-C153 WeakPolarHBondContact CB-O 3.32Å; I136-C153 HydrophobicContact CB-CB 3.92Å; I136-C153 HydrophobicContact CD1-CB 4.18Å; I136-C153 HydrophobicContact CG1-CB 4.35Å; I136-C153 PolarHBondContact N-O 2.72Å; I136-C153 PolarHBondContact O-N 3.41Å; C153-P155 WeakPolarHBondContact O-CD 3.41Å; C153-G306 CarbonylContact C-O 3.25Å; C153-G306 WeakPolarHBondContact CA-O 3.31Å; C153-W307 HydrophobicContact CB-CD2 3.71Å; C153-W307 HydrophobicContact CB-CE3 3.68Å; C153-W307 HydrophobicContact CB-CG 4.3Å; C153-W307 HydrophobicContact CB-CH2 4.1Å; C153-W307 HydrophobicContact CB-CZ2 4.12Å; C153-W307 HydrophobicContact CB-CZ3 3.88Å; C153-W307 PolarHBondContact SG-N 3.01Å; C153-W307 VanDerWaalsContact SG-N 3.41Å
154	F	96.6	Very high	91.3	Very high	5 Å²	5	51.3 Å²	51.3	2%	0.022	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	83.4	173.3	-53.3	-74.2	0	0	0	108.4	F22 L67 F135 F152 A156 W246 G306 E308	F22-F154 HydrophobicContact CB-CD1 3.89Å; F22-F154 HydrophobicContact CB-CD2 3.49Å; F22-F154 VanDerWaalsContact CB-CD2 3.49Å; F22-F154 HydrophobicContact CB-CE1 3.88Å; F22-F154 HydrophobicContact CB-CE2 3.46Å; F22-F154 VanDerWaalsContact CB-CE2 3.46Å; F22-F154 HydrophobicContact CB-CG 3.7Å; F22-F154 HydrophobicContact CB-CZ 3.66Å; F22-F154 HydrophobicContact CD2-CB 4.28Å; F22-F154 AromaticContact CD2-CD1 4Å; F22-F154 HydrophobicContact CD2-CD1 4Å; F22-F154 HydrophobicContact CD2-CG 4.08Å; F22-F154 HydrophobicContact CG-CD1 4.23Å; F22-F154 HydrophobicContact CG-CE1 4.38Å; F22-F154 HydrophobicContact CG-CG 4.32Å; F22-F154 WeakPolarHBondContact O-CE2 3.47Å; L67-F154 HydrophobicContact CB-CE1 3.98Å; L67-F154 HydrophobicContact CB-CZ 4.38Å; L67-F154 HydrophobicContact CD1-CD1 4.22Å; L67-F154 HydrophobicContact CD1-CE1 3.85Å; L67-F154 HydrophobicContact CD2-CE1 4.28Å; L67-F154 HydrophobicContact CG-CE1 4.25Å; F135-F154 HydrophobicContact CB-CD1 3.72Å; F135-F154 HydrophobicContact CB-CE1 4.02Å; F152-F154 HydrophobicContact CB-CE1 4.46Å; F152-F154 HydrophobicContact CB-CE2 3.88Å; F152-F154 HydrophobicContact CB-CZ 3.78Å; F152-F154 AromaticContact CD1-CE1 3.71Å; F152-F154 HydrophobicContact CD1-CE1 3.71Å; F152-F154 AromaticContact CD1-CZ 3.61Å; F152-F154 HydrophobicContact CD1-CZ 3.61Å; F152-F154 HydrophobicContact CE1-CE1 4.46Å; F152-F154 HydrophobicContact CG-CE1 4.46Å; F152-F154 AromaticContact CG-CZ 3.95Å; F152-F154 HydrophobicContact CG-CZ 3.95Å; F154-A156 PolarHBondContact O-N 3.3Å; F154-A156 VanDerWaalsContact O-N 3.15Å; F154-W246 PolarHBondContact O-NE1 2.84Å; F154-G306 PolarHBondContact N-O 3.31Å; F154-G306 WeakPolarHBondContact O-CA 3.33Å; F154-E308 HydrophobicContact CE2-CB 4.37Å; F154-E308 HydrophobicContact CE2-CG 4.45Å
155	P	96.2	Very high	91.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.013	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	120.2	-172.6	-27.4	36	0	0	0	112.5	L109 E112 I116 R134 I136 C153 N250	L109-P155 HydrophobicContact CD1-CB 3.74Å; L109-P155 HydrophobicContact CD1-CG 3.97Å; E112-P155 HydrophobicContact CB-CB 4.47Å; E112-P155 HydrophobicContact CB-CG 3.88Å; I116-P155 HydrophobicContact CD1-CB 3.91Å; R134-P155 WeakPolarHBondContact O-CD 3.29Å; I136-P155 HydrophobicContact CD1-CG 4.17Å; I136-P155 HydrophobicContact CG1-CG 4.31Å; C153-P155 WeakPolarHBondContact O-CD 3.41Å; P155-N250 PolarHBondContact O-ND2 3.19Å
156	A	94.6	Very high	91.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.7	176.6	0	0	0	0	0	110.8	F154 W246 R249 N250 S304 V305	F154-A156 PolarHBondContact O-N 3.3Å; F154-A156 VanDerWaalsContact O-N 3.15Å; A156-W246 HydrophobicContact CB-CZ2 3.57Å; A156-R249 HydrophobicContact CB-CB 4.11Å; A156-N250 VanDerWaalsContact CA-OD1 3.31Å; A156-N250 WeakPolarHBondContact CA-OD1 3.31Å; A156-S304 VanDerWaalsContact O-CA 3.3Å; A156-S304 WeakPolarHBondContact O-CA 3.45Å; A156-V305 HydrophobicContact CB-CG2 4.49Å; A156-V305 PolarHBondContact N-O 2.94Å; A156-V305 PolarHBondContact O-N 3.03Å
157	L	93.9	Very high	91.3	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	136.2	176.2	-61.1	174.1	0	0	0	109.6	A113 I116 W117 I120 N250 V253 L302	A113-L157 HydrophobicContact CB-CD2 4.07Å; I116-L157 HydrophobicContact CG2-CD1 4.04Å; W117-L157 HydrophobicContact CB-CD1 4.39Å; W117-L157 HydrophobicContact CE3-CD1 3.82Å; I120-L157 HydrophobicContact CD1-CD1 3.88Å; L157-N250 PolarHBondContact N-OD1 2.85Å; L157-V253 HydrophobicContact CB-CB 4.44Å; L157-V253 HydrophobicContact CB-CG1 4.24Å; L157-V253 HydrophobicContact CB-CG2 3.96Å; L157-V253 HydrophobicContact CD1-CG1 3.88Å; L157-L302 HydrophobicContact CB-CB 4.37Å; L157-L302 HydrophobicContact CB-CD1 4.5Å; L157-L302 HydrophobicContact CD2-CB 4.41Å
158	C	89.7	Confident	91.2	Very high	27 Å²	27	43.9 Å²	43.9	18%	0.182	23%	0.229	C	C	.	.			trans	-110.4	134	-177.9	-62.2	0	0	0	0	110.8	K303 V305	C158-K303 VanDerWaalsContact CB-O 3.29Å; C158-K303 WeakPolarHBondContact CB-O 3.33Å; C158-K303 PolarHBondContact N-O 3.49Å; C158-V305 VanDerWaalsContact SG-CG2 3.54Å
159	F	87	Confident	91.1	Very high	32 Å²	32	45.4 Å²	45.4	14%	0.14	24%	0.239	C	C	.	.			trans	-64.7	148.3	166.5	-68.2	-79.8	0	0	0	110.8	E161 L163 L252 V253 A256 P293 L295	F159-E161 VanDerWaalsContact C-N 3.27Å; F159-E161 WeakPolarHBondContact CB-O 3.33Å; F159-E161 PolarHBondContact O-N 2.89Å; F159-L163 HydrophobicContact CD1-CD2 4.42Å; F159-L163 HydrophobicContact CD2-CD1 3.85Å; F159-L163 HydrophobicContact CD2-CD2 3.76Å; F159-L163 HydrophobicContact CD2-CG 3.75Å; F159-L163 HydrophobicContact CE1-CD2 4.48Å; F159-L163 HydrophobicContact CE2-CD1 3.67Å; F159-L163 HydrophobicContact CE2-CD2 3.86Å; F159-L163 HydrophobicContact CE2-CG 4.01Å; F159-L163 HydrophobicContact CG-CD2 4.04Å; F159-L163 HydrophobicContact CG-CG 4.38Å; F159-L163 HydrophobicContact CZ-CD2 4.21Å; F159-L252 HydrophobicContact CE2-CB 4.04Å; F159-L252 HydrophobicContact CZ-CB 4.26Å; F159-V253 HydrophobicContact CD2-CG2 4.26Å; F159-V253 HydrophobicContact CE1-CG2 4.22Å; F159-V253 HydrophobicContact CE2-CG2 3.65Å; F159-V253 HydrophobicContact CZ-CB 4.31Å; F159-V253 HydrophobicContact CZ-CG2 3.66Å; F159-A256 HydrophobicContact CE1-CB 3.69Å; F159-A256 HydrophobicContact CZ-CB 3.9Å; F159-P293 HydrophobicContact CD1-CG 3.39Å; F159-P293 HydrophobicContact CE1-CG 3.62Å; F159-P293 HydrophobicContact CG-CG 4.2Å; F159-L295 HydrophobicContact CD1-CD2 4.42Å; F159-L295 HydrophobicContact CE1-CD1 4.02Å; F159-L295 HydrophobicContact CE1-CG 4.42Å
160	P	80.8	Confident	91	Very high	111 Å²	111	43.8 Å²	43.8	72%	0.721	24%	0.235	S	C	*	.	S	Bend	trans	-60.3	-37.8	174.7	-23.6	34.2	0	0	0	112.7	L302	P160-L302 HydrophobicContact CG-CD2 4.32Å
161	E	81.9	Confident	90.8	Very high	156 Å²	156	45.1 Å²	45.1	73%	0.729	24%	0.244	S	C	*	.	S	Bend	trans	-113.3	152.9	174.9	-65.8	-175.7	-179.8	0	0	110.7	F159	F159-E161 VanDerWaalsContact C-N 3.27Å; F159-E161 WeakPolarHBondContact CB-O 3.33Å; F159-E161 PolarHBondContact O-N 2.89Å
162	A	80.3	Confident	90.6	Very high	55 Å²	55	44 Å²	44	46%	0.455	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-67	136.9	177.5	0	0	0	0	0	110.8	K16 K164	K16-A162 HydrophobicContact CB-CB 4.14Å; K16-A162 HydrophobicContact CD-CB 3.74Å; K16-A162 HydrophobicContact CG-CB 3.78Å; A162-K164 PolarHBondContact O-N 3.49Å
163	L	86	Confident	90.4	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.063	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-65.5	128.7	176.4	-66.4	177.7	0	0	0	110.6	L17 F159 L252 L292 P293	L17-L163 HydrophobicContact CB-CB 4.2Å; L17-L163 HydrophobicContact CD2-CD1 4.15Å; L17-L163 PolarHBondContact N-O 3Å; F159-L163 HydrophobicContact CD1-CD2 4.42Å; F159-L163 HydrophobicContact CD2-CD1 3.85Å; F159-L163 HydrophobicContact CD2-CD2 3.76Å; F159-L163 HydrophobicContact CD2-CG 3.75Å; F159-L163 HydrophobicContact CE1-CD2 4.48Å; F159-L163 HydrophobicContact CE2-CD1 3.67Å; F159-L163 HydrophobicContact CE2-CD2 3.86Å; F159-L163 HydrophobicContact CE2-CG 4.01Å; F159-L163 HydrophobicContact CG-CD2 4.04Å; F159-L163 HydrophobicContact CG-CG 4.38Å; F159-L163 HydrophobicContact CZ-CD2 4.21Å; L163-L252 HydrophobicContact CD1-CB 4.4Å; L163-L252 HydrophobicContact CD1-CD1 3.54Å; L163-L292 HydrophobicContact CD2-CD2 4.33Å; L163-P293 HydrophobicContact CD2-CG 4.1Å
164	K	85.3	Confident	90.2	Very high	149 Å²	149	56.4 Å²	56.4	65%	0.648	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.8	176.6	-64.7	-173.7	-179.9	-175.3	0	109.8	A162 K291	A162-K164 PolarHBondContact O-N 3.49Å; K164-K291 PolarHBondContact O-N 3.13Å
165	I	89.9	Confident	90	Very high	33 Å²	33	59.1 Å²	59.1	17%	0.169	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.6	172.9	-60.4	179.3	0	0	0	108	L15 L17 Q167	L15-I165 HydrophobicContact CB-CB 4.42Å; L15-I165 HydrophobicContact CB-CD1 4.49Å; L15-I165 PolarHBondContact O-N 3.28Å; L17-I165 HydrophobicContact CB-CD1 4.28Å; L17-I165 HydrophobicContact CB-CG1 4.06Å; L17-I165 HydrophobicContact CD1-CD1 4.04Å; L17-I165 HydrophobicContact CD1-CG1 4.27Å; I165-Q167 WeakPolarHBondContact CG2-O 3.41Å
166	I	90.4	Very high	89.8	Confident	85 Å²	85	59.3 Å²	59.3	44%	0.436	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-48.6	173.5	-58	176.4	0	0	0	109.3	V265 Q289 K291	I166-V265 HydrophobicContact CD1-CB 4.33Å; I166-V265 HydrophobicContact CD1-CG1 4.05Å; I166-V265 HydrophobicContact CD1-CG2 3.77Å; I166-Q289 HydrophobicContact CB-CB 4.11Å; I166-Q289 PolarHBondContact N-O 3.29Å; I166-K291 HydrophobicContact CD1-CB 3.99Å; I166-K291 HydrophobicContact CG1-CB 4.23Å
167	Q	90.9	Very high	89.7	Confident	70 Å²	70	61.5 Å²	61.5	33%	0.327	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.7	176.6	-172.9	178.8	4.5	0	0	108.5	I165 F288 Q289	I165-Q167 WeakPolarHBondContact CG2-O 3.41Å; Q167-F288 WeakPolarHBondContact O-CB 3.2Å; Q167-Q289 HydrophobicContact CB-CB 3.86Å; Q167-Q289 HydrophobicContact CB-CG 4.16Å; Q167-Q289 PolarHBondContact N-O 2.96Å; Q167-Q289 PolarHBondContact O-N 3.39Å; Q167-Q289 VanDerWaalsContact OE1-CD 3.3Å
168	P	91.5	Very high	89.6	Confident	68 Å²	68	66.6 Å²	66.6	44%	0.442	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	159.6	-179.6	27.5	-34.8	0	0	0	112	V170	P168-V170 WeakPolarHBondContact O-CG2 3.47Å; P168-V170 PolarHBondContact O-N 3.06Å
169	P	93.3	Very high	89.7	Confident	31 Å²	31	73.1 Å²	73.1	20%	0.201	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48	117.2	167.9	-33.2	41.4	0	0	0	113.3	Q242 V286 F288	P169-Q242 WeakPolarHBondContact CG-O 3.32Å; P169-V286 HydrophobicContact CB-CG1 3.59Å; P169-F288 HydrophobicContact CG-CB 4.24Å; P169-F288 HydrophobicContact CG-CD1 4.48Å; P169-F288 HydrophobicContact CG-CG 4.38Å
170	V	94.4	Very high	90	Very high	30 Å²	30	72.3 Å²	72.3	18%	0.182	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.1	173.7	-177.5	0	0	0	0	109.1	P168 E174 V175 V286 L287	P168-V170 WeakPolarHBondContact O-CG2 3.47Å; P168-V170 PolarHBondContact O-N 3.06Å; V170-E174 HydrophobicContact CG1-CB 3.81Å; V170-E174 WeakPolarHBondContact CG1-OE2 3.21Å; V170-V175 HydrophobicContact CB-CG2 4.14Å; V170-V175 HydrophobicContact CG1-CG2 3.58Å; V170-V286 WeakPolarHBondContact O-CA 3.39Å; V170-L287 PolarHBondContact N-O 3.07Å; V170-L287 PolarHBondContact O-N 3.22Å
171	I	93.6	Very high	90.6	Very high	55 Å²	55	67.7 Å²	67.7	28%	0.282	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.2	177.8	-63	173.7	0	0	0	109.4	E173 E174 Q283	I171-E173 VanDerWaalsContact C-N 3.26Å; I171-E173 HydrophobicContact CG2-CB 4.36Å; I171-E173 PolarHBondContact O-N 3.24Å; I171-E174 HydrophobicContact CB-CG 4.47Å; I171-E174 WeakPolarHBondContact O-CB 3.46Å; I171-E174 PolarHBondContact O-N 3.37Å; I171-Q283 WeakPolarHBondContact CG2-O 3.27Å
172	L	93.4	Very high	91.1	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-57.4	-37.5	-173.6	-171.4	68.5	0	0	0	112.6	E174 V175 F176 I181 L184 L269 I282 Q283 S285	L172-E174 PolarHBondContact O-N 3.27Å; L172-V175 PolarHBondContact O-N 3.19Å; L172-V175 VanDerWaalsContact O-N 3.09Å; L172-F176 HydrophobicContact CD1-CB 4.19Å; L172-F176 HydrophobicContact CD1-CD1 3.72Å; L172-F176 HydrophobicContact CD1-CD2 3.91Å; L172-F176 HydrophobicContact CD1-CE1 4.07Å; L172-F176 HydrophobicContact CD1-CE2 4.25Å; L172-F176 HydrophobicContact CD1-CG 3.66Å; L172-F176 HydrophobicContact CD1-CZ 4.32Å; L172-F176 HydrophobicContact CG-CB 4.19Å; L172-F176 HydrophobicContact CG-CD2 4.48Å; L172-F176 HydrophobicContact CG-CG 4.19Å; L172-F176 PolarHBondContact O-N 2.87Å; L172-I181 HydrophobicContact CD2-CG1 4.37Å; L172-I181 HydrophobicContact CG-CG1 4.48Å; L172-L184 HydrophobicContact CD2-CD1 4.3Å; L172-L269 HydrophobicContact CD1-CD1 3.98Å; L172-I282 HydrophobicContact CD2-CD1 4.42Å; L172-Q283 WeakPolarHBondContact CB-O 3.41Å; L172-Q283 PolarHBondContact N-O 3.29Å; L172-S285 WeakPolarHBondContact CB-O 3.48Å; L172-S285 PolarHBondContact N-O 3.09Å
173	E	93	Very high	91.8	Very high	117 Å²	117	61.5 Å²	61.5	55%	0.547	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-25.6	176.9	-172.9	171.2	-162.5	0	0	114.4	I171 V175 Q283	I171-E173 VanDerWaalsContact C-N 3.26Å; I171-E173 HydrophobicContact CG2-CB 4.36Å; I171-E173 PolarHBondContact O-N 3.24Å; E173-V175 VanDerWaalsContact C-N 3.31Å; E173-Q283 HydrophobicContact CB-CB 4.2Å; E173-Q283 PolarHBondContact N-O 2.79Å
174	E	92	Very high	92.2	Very high	143 Å²	143	61 Å²	61	67%	0.668	32%	0.323	S	S	*	.	H	α-helix	trans	-80.4	-16.5	177.5	-62	177.3	-169.7	0	0	112.3	V170 I171 L172	V170-E174 HydrophobicContact CG1-CB 3.81Å; V170-E174 WeakPolarHBondContact CG1-OE2 3.21Å; I171-E174 HydrophobicContact CB-CG 4.47Å; I171-E174 WeakPolarHBondContact O-CB 3.46Å; I171-E174 PolarHBondContact O-N 3.37Å; L172-E174 PolarHBondContact O-N 3.27Å
175	V	91.1	Very high	92.6	Very high	61 Å²	61	56.1 Å²	56.1	37%	0.37	30%	0.303	S	S	.	.	H	α-helix	trans	-111.5	-40.2	-175.1	-171.2	0	0	0	0	111.9	V170 L172 E173 L287	V170-V175 HydrophobicContact CB-CG2 4.14Å; V170-V175 HydrophobicContact CG1-CG2 3.58Å; L172-V175 PolarHBondContact O-N 3.19Å; L172-V175 VanDerWaalsContact O-N 3.09Å; E173-V175 VanDerWaalsContact C-N 3.31Å; V175-L287 HydrophobicContact CG1-CD2 4.09Å
176	F	93.6	Very high	92.8	Very high	6 Å²	6	60.1 Å²	60.1	3%	0.026	32%	0.321	C	S	.	.	S	Bend	trans	-103.8	135.8	-172.9	-81.4	39.1	0	0	0	110.4	L172 Q180 I181 L184 M205 Y207 L287	L172-F176 HydrophobicContact CD1-CB 4.19Å; L172-F176 HydrophobicContact CD1-CD1 3.72Å; L172-F176 HydrophobicContact CD1-CD2 3.91Å; L172-F176 HydrophobicContact CD1-CE1 4.07Å; L172-F176 HydrophobicContact CD1-CE2 4.25Å; L172-F176 HydrophobicContact CD1-CG 3.66Å; L172-F176 HydrophobicContact CD1-CZ 4.32Å; L172-F176 HydrophobicContact CG-CB 4.19Å; L172-F176 HydrophobicContact CG-CD2 4.48Å; L172-F176 HydrophobicContact CG-CG 4.19Å; L172-F176 PolarHBondContact O-N 2.87Å; F176-Q180 HydrophobicContact CB-CB 4.05Å; F176-Q180 HydrophobicContact CD2-CB 3.67Å; F176-Q180 HydrophobicContact CE2-CB 4.45Å; F176-Q180 HydrophobicContact CG-CB 4.15Å; F176-I181 HydrophobicContact CB-CD1 4.39Å; F176-I181 HydrophobicContact CB-CG1 3.78Å; F176-L184 HydrophobicContact CD2-CD1 4.21Å; F176-L184 HydrophobicContact CE2-CD1 3.8Å; F176-M205 HydrophobicContact CE2-CE 4.24Å; F176-M205 HydrophobicContact CZ-CE 3.86Å; F176-Y207 HydrophobicContact CE1-CD2 4.09Å; F176-Y207 HydrophobicContact CE1-CE1 4.44Å; F176-Y207 AromaticContact CE1-CE2 3.69Å; F176-Y207 HydrophobicContact CE1-CE2 3.69Å; F176-Y207 AromaticContact CE1-CZ 3.87Å; F176-Y207 HydrophobicContact CE2-CD2 4.19Å; F176-Y207 HydrophobicContact CE2-CG 4.21Å; F176-Y207 AromaticContact CZ-CD1 3.9Å; F176-Y207 HydrophobicContact CZ-CD1 3.9Å; F176-Y207 AromaticContact CZ-CD2 3.57Å; F176-Y207 HydrophobicContact CZ-CD2 3.57Å; F176-Y207 AromaticContact CZ-CE1 3.91Å; F176-Y207 HydrophobicContact CZ-CE1 3.91Å; F176-Y207 AromaticContact CZ-CE2 3.58Å; F176-Y207 HydrophobicContact CZ-CE2 3.58Å; F176-Y207 AromaticContact CZ-CG 3.72Å; F176-Y207 HydrophobicContact CZ-CG 3.72Å; F176-Y207 AromaticContact CZ-CZ 3.75Å; F176-L287 HydrophobicContact CE1-CD2 4.14Å
177	S	92.8	Very high	93.1	Very high	46 Å²	46	56.8 Å²	56.8	32%	0.322	31%	0.306	S	S	.	.			trans	-65.5	157.7	170.9	70.9	0	0	0	0	111.5	K179 Q180 I181	S177-K179 PolarHBondContact O-N 2.65Å; S177-K179 VanDerWaalsContact O-N 3.08Å; S177-Q180 PolarHBondContact O-N 3.4Å; S177-Q180 WeakPolarHBondContact OG-CG 3.44Å; S177-Q180 PolarHBondContact OG-N 3.17Å; S177-Q180 PolarHBondContact OG-OE1 2.91Å; S177-I181 WeakPolarHBondContact O-CG1 3.21Å; S177-I181 PolarHBondContact O-N 3.32Å
178	P	91.6	Very high	93.3	Very high	111 Å²	111	53.7 Å²	53.7	72%	0.721	29%	0.292	S	S	*	.	H	α-helix	trans	-54.2	-32.6	176.3	-27.9	35.2	0	0	0	113.8	I181 S182	P178-I181 PolarHBondContact O-N 2.88Å; P178-S182 PolarHBondContact O-N 3.38Å; P178-S182 VanDerWaalsContact O-N 3.1Å
179	K	91.6	Very high	93.4	Very high	165 Å²	165	52.8 Å²	52.8	72%	0.717	28%	0.283	S	S	*	.	H	α-helix	trans	-65.9	-46.1	174.9	-70.9	-178.4	177.3	-178.2	0	111.8	S177 I181 S182 A183	S177-K179 PolarHBondContact O-N 2.65Å; S177-K179 VanDerWaalsContact O-N 3.08Å; K179-I181 VanDerWaalsContact C-N 3.31Å; K179-I181 PolarHBondContact O-N 2.87Å; K179-S182 PolarHBondContact O-N 2.75Å; K179-A183 WeakPolarHBondContact O-CB 3.5Å; K179-A183 PolarHBondContact O-N 2.79Å
180	Q	92.9	Very high	93.5	Very high	15 Å²	15	54 Å²	54	7%	0.07	29%	0.293	C	S	.	.	H	α-helix	trans	-64.7	-37	177.3	-71.9	169.6	-53.9	0	0	111.7	F176 S177 A183 L184 T208 D209	F176-Q180 HydrophobicContact CB-CB 4.05Å; F176-Q180 HydrophobicContact CD2-CB 3.67Å; F176-Q180 HydrophobicContact CE2-CB 4.45Å; F176-Q180 HydrophobicContact CG-CB 4.15Å; S177-Q180 PolarHBondContact O-N 3.4Å; S177-Q180 WeakPolarHBondContact OG-CG 3.44Å; S177-Q180 PolarHBondContact OG-N 3.17Å; S177-Q180 PolarHBondContact OG-OE1 2.91Å; Q180-A183 PolarHBondContact O-N 2.99Å; Q180-L184 VanDerWaalsContact O-CB 3.31Å; Q180-L184 WeakPolarHBondContact O-CB 3.46Å; Q180-L184 PolarHBondContact O-N 3.15Å; Q180-T208 PolarHBondContact NE2-O 3.32Å; Q180-D209 WeakPolarHBondContact CG-O 3.41Å
181	I	93.3	Very high	93.5	Very high	14 Å²	14	53.3 Å²	53.3	7%	0.072	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-44.5	175.7	-64.4	177.8	0	0	0	110.7	L172 F176 S177 P178 K179 L184 Q185 I282 Q283	L172-I181 HydrophobicContact CD2-CG1 4.37Å; L172-I181 HydrophobicContact CG-CG1 4.48Å; F176-I181 HydrophobicContact CB-CD1 4.39Å; F176-I181 HydrophobicContact CB-CG1 3.78Å; S177-I181 WeakPolarHBondContact O-CG1 3.21Å; S177-I181 PolarHBondContact O-N 3.32Å; P178-I181 PolarHBondContact O-N 2.88Å; K179-I181 VanDerWaalsContact C-N 3.31Å; K179-I181 PolarHBondContact O-N 2.87Å; I181-L184 PolarHBondContact O-N 2.91Å; I181-Q185 PolarHBondContact O-N 3.07Å; I181-Q185 VanDerWaalsContact O-N 3.09Å; I181-I282 HydrophobicContact CG2-CD1 3.95Å; I181-I282 HydrophobicContact CG2-CG1 3.61Å; I181-Q283 HydrophobicContact CD1-CG 3.96Å; I181-Q283 HydrophobicContact CG2-CG 4.3Å
182	S	92.9	Very high	93.5	Very high	60 Å²	60	51 Å²	51	42%	0.42	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-47.3	174.6	-162.7	0	0	0	0	111.7	P178 K179 L184 Q185 E186	P178-S182 PolarHBondContact O-N 3.38Å; P178-S182 VanDerWaalsContact O-N 3.1Å; K179-S182 PolarHBondContact O-N 2.75Å; S182-L184 VanDerWaalsContact C-N 3.28Å; S182-L184 PolarHBondContact O-N 3.35Å; S182-Q185 PolarHBondContact O-N 3.22Å; S182-E186 WeakPolarHBondContact O-CG 3.44Å; S182-E186 PolarHBondContact O-N 2.89Å; S182-E186 PolarHBondContact OG-OE1 2.96Å
183	A	94.1	Very high	93.4	Very high	21 Å²	21	57.5 Å²	57.5	17%	0.174	31%	0.31	C	S	.	.	H	α-helix	trans	-61	-36.6	178.3	0	0	0	0	0	112.3	K179 Q180 A187 V212	K179-A183 WeakPolarHBondContact O-CB 3.5Å; K179-A183 PolarHBondContact O-N 2.79Å; Q180-A183 PolarHBondContact O-N 2.99Å; A183-A187 WeakPolarHBondContact O-CB 3.39Å; A183-A187 PolarHBondContact O-N 2.79Å; A183-V212 HydrophobicContact CB-CB 4.28Å; A183-V212 HydrophobicContact CB-CG2 3.96Å
184	L	94.9	Very high	93.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.5	-45.6	175.6	-167.2	152.2	0	0	0	111.3	L172 F176 Q180 I181 S182 A187 Y188 M205 V212 M214 L269 F271 I282	L172-L184 HydrophobicContact CD2-CD1 4.3Å; F176-L184 HydrophobicContact CD2-CD1 4.21Å; F176-L184 HydrophobicContact CE2-CD1 3.8Å; Q180-L184 VanDerWaalsContact O-CB 3.31Å; Q180-L184 WeakPolarHBondContact O-CB 3.46Å; Q180-L184 PolarHBondContact O-N 3.15Å; I181-L184 PolarHBondContact O-N 2.91Å; S182-L184 VanDerWaalsContact C-N 3.28Å; S182-L184 PolarHBondContact O-N 3.35Å; L184-A187 PolarHBondContact O-N 2.97Å; L184-Y188 WeakPolarHBondContact O-CB 3.33Å; L184-Y188 PolarHBondContact O-N 3.43Å; L184-M205 HydrophobicContact CD1-CE 4.35Å; L184-M205 HydrophobicContact CD1-SD 3.74Å; L184-M205 HydrophobicContact CG-SD 4.29Å; L184-V212 HydrophobicContact CB-CG1 4.31Å; L184-V212 HydrophobicContact CB-CG2 4.21Å; L184-V212 HydrophobicContact CG-CG1 4.31Å; L184-M214 HydrophobicContact CD2-CE 3.66Å; L184-M214 HydrophobicContact CG-CE 3.58Å; L184-M214 WeakPolarHBondContact O-CE 3.44Å; L184-L269 HydrophobicContact CD1-CD2 3.83Å; L184-L269 HydrophobicContact CD2-CD2 4.22Å; L184-F271 HydrophobicContact CD2-CD2 3.79Å; L184-F271 HydrophobicContact CD2-CE2 3.62Å; L184-I282 HydrophobicContact CB-CD1 4.26Å; L184-I282 HydrophobicContact CD2-CD1 3.56Å; L184-I282 HydrophobicContact CG-CD1 4.42Å
185	Q	93.6	Very high	93	Very high	48 Å²	48	58.3 Å²	58.3	22%	0.224	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-47	177.8	-166.9	179.7	-57.7	0	0	111.2	I181 S182 A187 Y188 D189 I282	I181-Q185 PolarHBondContact O-N 3.07Å; I181-Q185 VanDerWaalsContact O-N 3.09Å; S182-Q185 PolarHBondContact O-N 3.22Å; Q185-A187 PolarHBondContact O-N 3Å; Q185-Y188 PolarHBondContact O-N 2.86Å; Q185-D189 WeakPolarHBondContact O-CB 3.41Å; Q185-D189 PolarHBondContact O-N 2.99Å; Q185-I282 HydrophobicContact CB-CD1 3.98Å
186	E	94.3	Very high	92.9	Very high	117 Å²	117	58.7 Å²	58.7	55%	0.547	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-40.2	177.3	-72.7	170	-149.3	0	0	112.6	S182 D189 S190	S182-E186 WeakPolarHBondContact O-CG 3.44Å; S182-E186 PolarHBondContact O-N 2.89Å; S182-E186 PolarHBondContact OG-OE1 2.96Å; E186-D189 PolarHBondContact O-N 3.03Å; E186-S190 VanDerWaalsContact O-CB 3.23Å; E186-S190 WeakPolarHBondContact O-CB 3.21Å; E186-S190 PolarHBondContact O-N 2.84Å; E186-S190 PolarHBondContact O-OG 3.39Å
187	A	95.7	Very high	92.6	Very high	15 Å²	15	61.6 Å²	61.6	12%	0.124	34%	0.338	C	S	.	.	H	α-helix	trans	-64.6	-41.7	177.1	0	0	0	0	0	111.8	A183 L184 Q185 L191 V212 M214	A183-A187 WeakPolarHBondContact O-CB 3.39Å; A183-A187 PolarHBondContact O-N 2.79Å; L184-A187 PolarHBondContact O-N 2.97Å; Q185-A187 PolarHBondContact O-N 3Å; A187-L191 WeakPolarHBondContact O-CB 3.42Å; A187-L191 PolarHBondContact O-N 3.4Å; A187-V212 HydrophobicContact CB-CB 4.36Å; A187-V212 HydrophobicContact CB-CG1 4.21Å; A187-M214 HydrophobicContact CB-CE 4.39Å; A187-M214 HydrophobicContact CB-CG 4.02Å; A187-M214 HydrophobicContact CB-SD 4.33Å
188	Y	95.2	Very high	92.4	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.016	34%	0.343	C	S	.	.	H	α-helix	trans	-66.9	-44.3	176.8	-176.7	-95.2	0	0	0	111.9	L184 Q185 S190 L191 C192 A199 V200 F203 M214 Y235 F271	L184-Y188 WeakPolarHBondContact O-CB 3.33Å; L184-Y188 PolarHBondContact O-N 3.43Å; Q185-Y188 PolarHBondContact O-N 2.86Å; Y188-S190 VanDerWaalsContact C-N 3.33Å; Y188-S190 PolarHBondContact O-N 3.38Å; Y188-L191 WeakPolarHBondContact O-CB 3.44Å; Y188-L191 PolarHBondContact O-N 3.4Å; Y188-C192 VanDerWaalsContact CE1-SG 3.51Å; Y188-C192 PolarHBondContact O-N 3.49Å; Y188-C192 PolarHBondContact O-SG 3.27Å; Y188-A199 WeakPolarHBondContact OH-CA 3.4Å; Y188-V200 HydrophobicContact CE2-CB 4.22Å; Y188-V200 PolarHBondContact OH-N 3.37Å; Y188-V200 PolarHBondContact OH-O 3.11Å; Y188-F203 HydrophobicContact CD2-CD1 4.23Å; Y188-F203 AromaticContact CD2-CE1 3.89Å; Y188-F203 HydrophobicContact CD2-CE1 3.89Å; Y188-F203 HydrophobicContact CD2-CE2 4.47Å; Y188-F203 AromaticContact CD2-CZ 4Å; Y188-F203 HydrophobicContact CD2-CZ 4Å; Y188-F203 AromaticContact CE2-CD1 3.88Å; Y188-F203 HydrophobicContact CE2-CD1 3.88Å; Y188-F203 AromaticContact CE2-CE1 3.58Å; Y188-F203 HydrophobicContact CE2-CE1 3.58Å; Y188-F203 HydrophobicContact CE2-CZ 4.15Å; Y188-M214 VanDerWaalsContact CA-SD 3.57Å; Y188-M214 HydrophobicContact CD2-SD 4.03Å; Y188-M214 HydrophobicContact CG-SD 4.39Å; Y188-Y235 VanDerWaalsContact OH-CD2 3.28Å; Y188-Y235 WeakPolarHBondContact OH-CD2 3.16Å; Y188-F271 AromaticContact CD1-CE1 3.72Å; Y188-F271 HydrophobicContact CD1-CE1 3.72Å; Y188-F271 AromaticContact CD1-CZ 3.76Å; Y188-F271 HydrophobicContact CD1-CZ 3.76Å; Y188-F271 HydrophobicContact CD2-CD1 4.44Å; Y188-F271 HydrophobicContact CD2-CE1 4.19Å; Y188-F271 HydrophobicContact CD2-CZ 4.4Å; Y188-F271 HydrophobicContact CE1-CD1 4.44Å; Y188-F271 AromaticContact CE1-CE1 3.62Å; Y188-F271 HydrophobicContact CE1-CE1 3.62Å; Y188-F271 HydrophobicContact CE1-CZ 4.15Å; Y188-F271 HydrophobicContact CE2-CD1 4.2Å; Y188-F271 HydrophobicContact CE2-CE1 4.11Å; Y188-F271 HydrophobicContact CG-CE1 4Å; Y188-F271 HydrophobicContact CG-CE2 4.48Å; Y188-F271 AromaticContact CG-CZ 3.89Å; Y188-F271 HydrophobicContact CG-CZ 3.89Å; Y188-F271 AromaticContact CZ-CE1 3.83Å
189	D	94.3	Very high	92.4	Very high	50 Å²	50	57.7 Å²	57.7	27%	0.267	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-42.2	177.1	-68.4	-14.8	0	0	0	111	Q185 E186 L191 C192 I193 R280	Q185-D189 WeakPolarHBondContact O-CB 3.41Å; Q185-D189 PolarHBondContact O-N 2.99Å; E186-D189 PolarHBondContact O-N 3.03Å; D189-L191 VanDerWaalsContact C-N 3.31Å; D189-L191 PolarHBondContact O-N 3.2Å; D189-C192 WeakPolarHBondContact O-CB 3.36Å; D189-C192 PolarHBondContact O-N 2.98Å; D189-I193 VanDerWaalsContact O-CG1 3.27Å; D189-I193 WeakPolarHBondContact O-CG1 3.27Å; D189-I193 PolarHBondContact O-N 2.99Å; D189-R280 IonicContact OD1-CZ 3.93Å; D189-R280 IonicContact OD1-NH1 2.7Å; D189-R280 PolarHBondContact OD1-NH1 3.33Å; D189-R280 IonicContact OD1-NH2 3.34Å; D189-R280 PolarHBondContact OD1-NH2 2.86Å; D189-R280 IonicContact OD2-CZ 2.79Å; D189-R280 IonicContact OD2-NH1 2.78Å; D189-R280 PolarHBondContact OD2-NH1 3.27Å; D189-R280 IonicContact OD2-NH2 3.74Å
190	S	95.3	Very high	92.5	Very high	57 Å²	57	50 Å²	50	40%	0.399	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-39	175.2	-64.1	0	0	0	0	112.2	E186 Y188 K194	E186-S190 VanDerWaalsContact O-CB 3.23Å; E186-S190 WeakPolarHBondContact O-CB 3.21Å; E186-S190 PolarHBondContact O-N 2.84Å; E186-S190 PolarHBondContact O-OG 3.39Å; Y188-S190 VanDerWaalsContact C-N 3.33Å; Y188-S190 PolarHBondContact O-N 3.38Å; S190-K194 WeakPolarHBondContact O-CB 3.5Å; S190-K194 VanDerWaalsContact O-CG 3.26Å; S190-K194 WeakPolarHBondContact O-CG 3.19Å; S190-K194 PolarHBondContact O-N 3.29Å
191	L	94.6	Very high	92.5	Very high	14 Å²	14	49.9 Å²	49.9	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-44.7	175.3	-175.5	68.7	0	0	0	111.3	A187 Y188 D189 K194 R195 V200 F203 M214 L216	A187-L191 WeakPolarHBondContact O-CB 3.42Å; A187-L191 PolarHBondContact O-N 3.4Å; Y188-L191 WeakPolarHBondContact O-CB 3.44Å; Y188-L191 PolarHBondContact O-N 3.4Å; D189-L191 VanDerWaalsContact C-N 3.31Å; D189-L191 PolarHBondContact O-N 3.2Å; L191-K194 PolarHBondContact O-N 3.11Å; L191-R195 PolarHBondContact O-N 3.37Å; L191-V200 HydrophobicContact CD2-CB 4.38Å; L191-V200 HydrophobicContact CD2-CG1 4.19Å; L191-V200 HydrophobicContact CD2-CG2 4.11Å; L191-V200 HydrophobicContact CG-CG2 4.2Å; L191-F203 HydrophobicContact CD2-CB 3.87Å; L191-M214 HydrophobicContact CD2-CB 4.21Å; L191-L216 HydrophobicContact CD1-CD2 3.97Å; L191-L216 HydrophobicContact CD1-CG 4.04Å; L191-L216 HydrophobicContact CD2-CD2 4.42Å; L191-L216 HydrophobicContact CG-CD2 4.34Å
192	C	92.8	Very high	92.6	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.054	28%	0.276	C	S	.	.	H	α-helix	trans	-60.1	-49.6	176.6	-70.2	0	0	0	0	111.3	Y188 D189 K194 R195 G196 I197	Y188-C192 VanDerWaalsContact CE1-SG 3.51Å; Y188-C192 PolarHBondContact O-N 3.49Å; Y188-C192 PolarHBondContact O-SG 3.27Å; D189-C192 WeakPolarHBondContact O-CB 3.36Å; D189-C192 PolarHBondContact O-N 2.98Å; C192-K194 PolarHBondContact O-N 3.04Å; C192-R195 PolarHBondContact O-N 3.29Å; C192-G196 PolarHBondContact O-N 3.01Å; C192-I197 CarbonylContact C-O 3.59Å; C192-I197 VanDerWaalsContact C-O 3.25Å; C192-I197 WeakPolarHBondContact CA-O 3.4Å; C192-I197 VanDerWaalsContact CB-O 3.25Å; C192-I197 WeakPolarHBondContact CB-O 3.45Å; C192-I197 PolarHBondContact O-N 2.88Å; C192-I197 VanDerWaalsContact O-N 3.13Å
193	I	92.8	Very high	92.8	Very high	136 Å²	136	46.5 Å²	46.5	70%	0.697	26%	0.256	S	S	*	.	H	α-helix	trans	-59.3	-48	179	-68.4	164.6	0	0	0	111.2	D189 R195 G196	D189-I193 VanDerWaalsContact O-CG1 3.27Å; D189-I193 WeakPolarHBondContact O-CG1 3.27Å; D189-I193 PolarHBondContact O-N 2.99Å; I193-R195 PolarHBondContact O-N 2.49Å; I193-G196 PolarHBondContact O-N 3.29Å
194	K	90.6	Very high	92.9	Very high	184 Å²	184	45.5 Å²	45.5	80%	0.8	25%	0.247	S	C	*	.	H	α-helix	trans	-57.6	-35	179.9	-78.4	175.1	-177.1	179.9	0	112.9	S190 L191 C192	S190-K194 WeakPolarHBondContact O-CB 3.5Å; S190-K194 VanDerWaalsContact O-CG 3.26Å; S190-K194 WeakPolarHBondContact O-CG 3.19Å; S190-K194 PolarHBondContact O-N 3.29Å; L191-K194 PolarHBondContact O-N 3.11Å; C192-K194 PolarHBondContact O-N 3.04Å
195	R	86	Confident	92.9	Very high	92 Å²	92	45.5 Å²	45.5	35%	0.347	25%	0.247	S	C	.	.	H	α-helix	trans	-92.2	-3.2	-178.9	-168.9	158.2	178.4	140.8	1.8	113.2	K127 L191 C192 I193 I197 L216 E218	K127-R195 PolarHBondContact O-NH2 3.05Å; L191-R195 PolarHBondContact O-N 3.37Å; C192-R195 PolarHBondContact O-N 3.29Å; I193-R195 PolarHBondContact O-N 2.49Å; R195-I197 VanDerWaalsContact C-N 3.25Å; R195-I197 HydrophobicContact CB-CD1 4.23Å; R195-I197 HydrophobicContact CB-CG1 3.89Å; R195-I197 HydrophobicContact CG-CD1 3.85Å; R195-I197 HydrophobicContact CG-CG1 3.93Å; R195-I197 PolarHBondContact O-N 3.09Å; R195-L216 VanDerWaalsContact NH1-CD2 3.27Å; R195-E218 IonicContact CZ-OE1 3.17Å; R195-E218 IonicContact NH1-OE1 2.93Å; R195-E218 PolarHBondContact NH1-OE1 3.4Å
196	G	87.3	Confident	92.9	Very high	69 Å²	69	46.7 Å²	46.7	71%	0.711	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	25.8	-179	0	0	0	0	0	113.7	C192 I193	C192-G196 PolarHBondContact O-N 3.01Å; I193-G196 PolarHBondContact O-N 3.29Å
197	I	88.9	Confident	92.8	Very high	67 Å²	67	44.3 Å²	44.3	34%	0.344	24%	0.238	S	C	.	.			trans	-124.4	163.6	179.3	55.3	173.5	0	0	0	110.2	C192 R195 V200	C192-I197 CarbonylContact C-O 3.59Å; C192-I197 VanDerWaalsContact C-O 3.25Å; C192-I197 WeakPolarHBondContact CA-O 3.4Å; C192-I197 VanDerWaalsContact CB-O 3.25Å; C192-I197 WeakPolarHBondContact CB-O 3.45Å; C192-I197 PolarHBondContact O-N 2.88Å; C192-I197 VanDerWaalsContact O-N 3.13Å; R195-I197 VanDerWaalsContact C-N 3.25Å; R195-I197 HydrophobicContact CB-CD1 4.23Å; R195-I197 HydrophobicContact CB-CG1 3.89Å; R195-I197 HydrophobicContact CG-CD1 3.85Å; R195-I197 HydrophobicContact CG-CG1 3.93Å; R195-I197 PolarHBondContact O-N 3.09Å; I197-V200 HydrophobicContact CD1-CG2 3.72Å; I197-V200 HydrophobicContact CG1-CG2 4.24Å
198	T	87.8	Confident	92.4	Very high	70 Å²	70	47.7 Å²	47.7	43%	0.429	26%	0.258	S	S	.	.	S	Bend	trans	-104.8	-10.9	-174.6	60.3	0	0	0	0	114	A82 R83	A82-T198 WeakPolarHBondContact CA-OG1 3.37Å; A82-T198 HydrophobicContact CB-CG2 4.33Å; R83-T198 PolarHBondContact N-OG1 2.95Å
199	A	92.2	Very high	91.6	Very high	6 Å²	6	53.7 Å²	53.7	5%	0.05	29%	0.29	C	S	.	.			trans	-152.3	128.7	173.6	0	0	0	0	0	110.6	Y188 Y235	Y188-A199 WeakPolarHBondContact OH-CA 3.4Å; A199-Y235 HydrophobicContact CB-CD2 4.32Å; A199-Y235 HydrophobicContact CB-CE2 3.96Å
200	V	93.3	Very high	91	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.024	31%	0.314	C	S	.	.			trans	-102.1	116.9	176.8	179.3	0	0	0	0	108	Y188 L191 I197 F202 F203 L216	Y188-V200 HydrophobicContact CE2-CB 4.22Å; Y188-V200 PolarHBondContact OH-N 3.37Å; Y188-V200 PolarHBondContact OH-O 3.11Å; L191-V200 HydrophobicContact CD2-CB 4.38Å; L191-V200 HydrophobicContact CD2-CG1 4.19Å; L191-V200 HydrophobicContact CD2-CG2 4.11Å; L191-V200 HydrophobicContact CG-CG2 4.2Å; I197-V200 HydrophobicContact CD1-CG2 3.72Å; I197-V200 HydrophobicContact CG1-CG2 4.24Å; V200-F202 VanDerWaalsContact CG1-O 3.31Å; V200-F202 WeakPolarHBondContact CG1-O 3.46Å; V200-F202 PolarHBondContact O-N 3.41Å; V200-F203 HydrophobicContact CG1-CB 4.25Å; V200-L216 HydrophobicContact CG1-CD2 4.31Å
201	P	93.4	Very high	90.6	Very high	12 Å²	12	56.9 Å²	56.9	8%	0.078	31%	0.307	C	S	.	.	S	Bend	trans	-67.8	-34.3	-172.2	25.4	-34.3	0	0	0	113.4	Y55 C85 Y235	Y55-P201 WeakPolarHBondContact OH-CB 3.41Å; C85-P201 HydrophobicContact CB-CB 4.42Å; P201-Y235 PolarHBondContact O-N 3.47Å
202	F	95.7	Very high	90.6	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	138	-178.1	-52.2	-71.4	0	0	0	110.2	P129 L132 V200 L217 G233 V234 P247 L251	P129-F202 HydrophobicContact CB-CB 4.46Å; P129-F202 HydrophobicContact CB-CD2 3.56Å; P129-F202 HydrophobicContact CB-CE2 4.33Å; P129-F202 HydrophobicContact CB-CG 4.48Å; P129-F202 WeakPolarHBondContact O-CE2 3.48Å; L132-F202 HydrophobicContact CB-CE2 3.91Å; L132-F202 HydrophobicContact CB-CZ 4.19Å; L132-F202 HydrophobicContact CD1-CD2 4.17Å; L132-F202 HydrophobicContact CD1-CE2 3.85Å; L132-F202 HydrophobicContact CD1-CZ 4.31Å; L132-F202 HydrophobicContact CG-CE2 4.42Å; V200-F202 VanDerWaalsContact CG1-O 3.31Å; V200-F202 WeakPolarHBondContact CG1-O 3.46Å; V200-F202 PolarHBondContact O-N 3.41Å; F202-L217 HydrophobicContact CB-CD1 3.69Å; F202-L217 HydrophobicContact CB-CD2 4.41Å; F202-L217 HydrophobicContact CB-CG 4.1Å; F202-L217 HydrophobicContact CG-CD1 4.46Å; F202-G233 WeakPolarHBondContact CA-O 3.2Å; F202-V234 HydrophobicContact CD1-CB 4.1Å; F202-V234 HydrophobicContact CD1-CG2 3.79Å; F202-V234 HydrophobicContact CE1-CB 4.33Å; F202-V234 HydrophobicContact CE1-CG2 3.58Å; F202-P247 HydrophobicContact CE1-CB 4.1Å; F202-P247 HydrophobicContact CZ-CB 4.11Å; F202-L251 HydrophobicContact CB-CD1 4.19Å; F202-L251 HydrophobicContact CD1-CB 4.12Å; F202-L251 HydrophobicContact CD1-CD1 4.05Å; F202-L251 HydrophobicContact CD1-CD2 3.68Å; F202-L251 HydrophobicContact CD1-CG 4.16Å; F202-L251 HydrophobicContact CE1-CB 3.91Å; F202-L251 HydrophobicContact CE1-CD2 4.21Å; F202-L251 HydrophobicContact CE1-CG 4.46Å; F202-L251 HydrophobicContact CG-CD1 4.09Å; F202-L251 HydrophobicContact CG-CD2 4.44Å; F202-L251 HydrophobicContact CZ-CB 4.5Å
203	F	95.8	Very high	90.7	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	163.4	-174.2	52.8	-88.7	0	0	0	111.8	Y188 L191 V200 M214 G233 L269 F271	Y188-F203 HydrophobicContact CD2-CD1 4.23Å; Y188-F203 AromaticContact CD2-CE1 3.89Å; Y188-F203 HydrophobicContact CD2-CE1 3.89Å; Y188-F203 HydrophobicContact CD2-CE2 4.47Å; Y188-F203 AromaticContact CD2-CZ 4Å; Y188-F203 HydrophobicContact CD2-CZ 4Å; Y188-F203 AromaticContact CE2-CD1 3.88Å; Y188-F203 HydrophobicContact CE2-CD1 3.88Å; Y188-F203 AromaticContact CE2-CE1 3.58Å; Y188-F203 HydrophobicContact CE2-CE1 3.58Å; Y188-F203 HydrophobicContact CE2-CZ 4.15Å; L191-F203 HydrophobicContact CD2-CB 3.87Å; V200-F203 HydrophobicContact CG1-CB 4.25Å; F203-M214 HydrophobicContact CD2-CE 4.41Å; F203-M214 HydrophobicContact CD2-CG 4.35Å; F203-M214 HydrophobicContact CD2-SD 3.75Å; F203-M214 HydrophobicContact CE2-CE 3.86Å; F203-M214 HydrophobicContact CE2-SD 3.75Å; F203-G233 PolarHBondContact N-O 3.49Å; F203-G233 PolarHBondContact O-N 2.83Å; F203-L269 HydrophobicContact CE2-CD2 4.25Å; F203-L269 HydrophobicContact CZ-CD2 4.38Å; F203-F271 HydrophobicContact CE1-CB 4.25Å; F203-F271 HydrophobicContact CZ-CB 3.81Å; F203-F271 HydrophobicContact CZ-CG 4.12Å
204	L	96.1	Very high	90.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	147.8	175.4	-51.3	-176.9	0	0	0	109.4	M214 A215 L216 L217 W220 F223 F224 V232	L204-M214 WeakPolarHBondContact O-CA 3.35Å; L204-A215 HydrophobicContact CB-CB 4.4Å; L204-A215 PolarHBondContact N-O 2.91Å; L204-A215 PolarHBondContact O-N 3.5Å; L204-A215 VanDerWaalsContact O-N 3.1Å; L204-L216 VanDerWaalsContact CD1-O 3.27Å; L204-L216 WeakPolarHBondContact CD1-O 3.47Å; L204-L217 HydrophobicContact CD2-CD2 3.41Å; L204-L217 VanDerWaalsContact CD2-CD2 3.41Å; L204-L217 HydrophobicContact CG-CD2 4.15Å; L204-W220 HydrophobicContact CD1-CB 4.22Å; L204-W220 HydrophobicContact CD1-CE3 3.96Å; L204-W220 HydrophobicContact CD2-CE3 3.54Å; L204-W220 HydrophobicContact CD2-CZ3 3.66Å; L204-W220 HydrophobicContact CG-CE3 4.41Å; L204-F223 HydrophobicContact CB-CD1 3.68Å; L204-F223 HydrophobicContact CB-CE1 3.74Å; L204-F223 HydrophobicContact CB-CG 4.45Å; L204-F223 HydrophobicContact CD1-CB 4.17Å; L204-F223 HydrophobicContact CD1-CD1 4.07Å; L204-F223 HydrophobicContact CD1-CG 4.38Å; L204-F224 HydrophobicContact CB-CE2 4.03Å; L204-F224 HydrophobicContact CB-CZ 4.34Å; L204-F224 HydrophobicContact CD1-CD2 4.31Å; L204-F224 HydrophobicContact CD1-CE2 3.99Å; L204-F224 HydrophobicContact CD2-CE2 4.06Å; L204-F224 HydrophobicContact CG-CE2 4.24Å; L204-V232 HydrophobicContact CD2-CG1 4.07Å
205	M	95.3	Very high	91	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	141.8	-180	-167.4	176.4	90.4	0	0	111.7	F176 L184 Y207 V212 H213 M214 T231 L269	F176-M205 HydrophobicContact CE2-CE 4.24Å; F176-M205 HydrophobicContact CZ-CE 3.86Å; L184-M205 HydrophobicContact CD1-CE 4.35Å; L184-M205 HydrophobicContact CD1-SD 3.74Å; L184-M205 HydrophobicContact CG-SD 4.29Å; M205-Y207 HydrophobicContact CE-CD1 3.36Å; M205-Y207 HydrophobicContact CE-CE1 3.73Å; M205-Y207 HydrophobicContact CE-CG 4.2Å; M205-V212 HydrophobicContact CG-CG1 3.92Å; M205-V212 HydrophobicContact SD-CG1 4.12Å; M205-H213 WeakPolarHBondContact CA-O 3.18Å; M205-M214 HydrophobicContact CG-CG 4.42Å; M205-M214 HydrophobicContact SD-CE 4.19Å; M205-T231 HydrophobicContact CB-CG2 4.24Å; M205-T231 HydrophobicContact CE-CG2 3.74Å; M205-T231 PolarHBondContact N-O 3.39Å; M205-T231 WeakPolarHBondContact O-CB 3.36Å; M205-L269 HydrophobicContact CE-CD2 4.38Å; M205-L269 HydrophobicContact SD-CD2 3.75Å
206	K	93.6	Very high	91.4	Very high	73 Å²	73	45.5 Å²	45.5	32%	0.317	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.1	162.1	-78.3	179.8	-177.3	-171	0	108	V212 H213 F223 F224	K206-V212 WeakPolarHBondContact O-CA 3.35Å; K206-H213 PolarHBondContact N-O 3.45Å; K206-H213 PolarHBondContact O-N 2.77Å; K206-F223 HydrophobicContact CB-CE1 4.18Å; K206-F223 HydrophobicContact CB-CZ 3.86Å; K206-F223 HydrophobicContact CD-CD1 4.48Å; K206-F223 HydrophobicContact CD-CE1 4Å; K206-F223 HydrophobicContact CD-CZ 4.02Å; K206-F223 WeakPolarHBondContact CE-O 3.47Å; K206-F223 HydrophobicContact CG-CD1 4.42Å; K206-F223 HydrophobicContact CG-CE1 3.58Å; K206-F223 HydrophobicContact CG-CZ 3.73Å; K206-F223 PolarHBondContact NZ-O 2.87Å; K206-F224 HydrophobicContact CD-CE1 4.48Å; K206-F224 VanDerWaalsContact CE-CD1 3.47Å; K206-F224 HydrophobicContact CG-CD1 4.48Å; K206-F224 HydrophobicContact CG-CE1 3.91Å
207	Y	91.9	Very high	91.6	Very high	68 Å²	68	42.4 Å²	42.4	27%	0.267	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	147.8	178	62.7	-81	0	0	0	110.8	F176 M205 A211 T231 E267	F176-Y207 HydrophobicContact CE1-CD2 4.09Å; F176-Y207 HydrophobicContact CE1-CE1 4.44Å; F176-Y207 AromaticContact CE1-CE2 3.69Å; F176-Y207 HydrophobicContact CE1-CE2 3.69Å; F176-Y207 AromaticContact CE1-CZ 3.87Å; F176-Y207 HydrophobicContact CE2-CD2 4.19Å; F176-Y207 HydrophobicContact CE2-CG 4.21Å; F176-Y207 AromaticContact CZ-CD1 3.9Å; F176-Y207 HydrophobicContact CZ-CD1 3.9Å; F176-Y207 AromaticContact CZ-CD2 3.57Å; F176-Y207 HydrophobicContact CZ-CD2 3.57Å; F176-Y207 AromaticContact CZ-CE1 3.91Å; F176-Y207 HydrophobicContact CZ-CE1 3.91Å; F176-Y207 AromaticContact CZ-CE2 3.58Å; F176-Y207 HydrophobicContact CZ-CE2 3.58Å; F176-Y207 AromaticContact CZ-CG 3.72Å; F176-Y207 HydrophobicContact CZ-CG 3.72Å; F176-Y207 AromaticContact CZ-CZ 3.75Å; M205-Y207 HydrophobicContact CE-CD1 3.36Å; M205-Y207 HydrophobicContact CE-CE1 3.73Å; M205-Y207 HydrophobicContact CE-CG 4.2Å; Y207-A211 CarbonylContact C-O 3.57Å; Y207-A211 VanDerWaalsContact CA-O 3.28Å; Y207-A211 WeakPolarHBondContact CA-O 3.39Å; Y207-T231 HydrophobicContact CE1-CG2 4.37Å; Y207-E267 VanDerWaalsContact CE1-OE2 3.25Å; Y207-E267 WeakPolarHBondContact CE1-OE2 3.48Å; Y207-E267 PolarHBondContact OH-OE2 2.91Å
208	T	88.1	Confident	91.8	Very high	86 Å²	86	43.5 Å²	43.5	53%	0.528	23%	0.231	S	C	.	.			trans	-120.6	-174.7	166	62	0	0	0	0	108.1	Q180 D210 A211	Q180-T208 PolarHBondContact NE2-O 3.32Å; T208-D210 PolarHBondContact O-N 3.41Å; T208-D210 PolarHBondContact OG1-N 2.87Å; T208-A211 PolarHBondContact N-O 3.18Å; T208-A211 PolarHBondContact OG1-N 2.75Å
209	D	79.3	Confident	92	Very high	130 Å²	130	43.5 Å²	43.5	70%	0.695	23%	0.228	S	C	*	.	S	Bend	trans	-63.5	-27.2	175.7	-64	-30	0	0	0	112.6	Q180	Q180-D209 WeakPolarHBondContact CG-O 3.41Å
210	D	80.2	Confident	92	Very high	145 Å²	145	43.5 Å²	43.5	78%	0.775	23%	0.227	S	C	*	.	S	Bend	trans	-111.2	-16.5	-172.8	-65.8	-44.8	0	0	0	115.1	T208	T208-D210 PolarHBondContact O-N 3.41Å; T208-D210 PolarHBondContact OG1-N 2.87Å
211	A	88.4	Confident	91.8	Very high	29 Å²	29	51.1 Å²	51.1	24%	0.24	26%	0.262	C	S	.	.			trans	-145.3	147.7	-173.2	0	0	0	0	0	113.7	Y207 T208	Y207-A211 CarbonylContact C-O 3.57Å; Y207-A211 VanDerWaalsContact CA-O 3.28Å; Y207-A211 WeakPolarHBondContact CA-O 3.39Å; T208-A211 PolarHBondContact N-O 3.18Å; T208-A211 PolarHBondContact OG1-N 2.75Å
212	V	94.1	Very high	91.7	Very high	12 Å²	12	54.9 Å²	54.9	7%	0.073	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.6	170.2	-176.8	0	0	0	0	108.8	A183 L184 A187 M205 K206 M214	A183-V212 HydrophobicContact CB-CB 4.28Å; A183-V212 HydrophobicContact CB-CG2 3.96Å; L184-V212 HydrophobicContact CB-CG1 4.31Å; L184-V212 HydrophobicContact CB-CG2 4.21Å; L184-V212 HydrophobicContact CG-CG1 4.31Å; A187-V212 HydrophobicContact CB-CB 4.36Å; A187-V212 HydrophobicContact CB-CG1 4.21Å; M205-V212 HydrophobicContact CG-CG1 3.92Å; M205-V212 HydrophobicContact SD-CG1 4.12Å; K206-V212 WeakPolarHBondContact O-CA 3.35Å; V212-M214 HydrophobicContact CG1-CE 4.27Å
213	H	94.1	Very high	91.5	Very high	117 Å²	117	56.3 Å²	56.3	54%	0.542	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.2	175.6	-61	-59.4	0	0	0	109.4	M205 K206 F223	M205-H213 WeakPolarHBondContact CA-O 3.18Å; K206-H213 PolarHBondContact N-O 3.45Å; K206-H213 PolarHBondContact O-N 2.77Å; H213-F223 HydrophobicContact CB-CE2 4.22Å; H213-F223 HydrophobicContact CB-CZ 4.36Å
214	M	95.6	Very high	91.3	Very high	27 Å²	27	57 Å²	57	13%	0.133	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.2	175.5	-65.2	-171.3	-174.4	0	0	111.4	L184 A187 Y188 L191 F203 L204 M205 V212	L184-M214 HydrophobicContact CD2-CE 3.66Å; L184-M214 HydrophobicContact CG-CE 3.58Å; L184-M214 WeakPolarHBondContact O-CE 3.44Å; A187-M214 HydrophobicContact CB-CE 4.39Å; A187-M214 HydrophobicContact CB-CG 4.02Å; A187-M214 HydrophobicContact CB-SD 4.33Å; Y188-M214 VanDerWaalsContact CA-SD 3.57Å; Y188-M214 HydrophobicContact CD2-SD 4.03Å; Y188-M214 HydrophobicContact CG-SD 4.39Å; L191-M214 HydrophobicContact CD2-CB 4.21Å; F203-M214 HydrophobicContact CD2-CE 4.41Å; F203-M214 HydrophobicContact CD2-CG 4.35Å; F203-M214 HydrophobicContact CD2-SD 3.75Å; F203-M214 HydrophobicContact CE2-CE 3.86Å; F203-M214 HydrophobicContact CE2-SD 3.75Å; L204-M214 WeakPolarHBondContact O-CA 3.35Å; M205-M214 HydrophobicContact CG-CG 4.42Å; M205-M214 HydrophobicContact SD-CE 4.19Å; V212-M214 HydrophobicContact CG1-CE 4.27Å
215	A	94.8	Very high	90.6	Very high	12 Å²	12	63.1 Å²	63.1	10%	0.099	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	170.1	177.2	0	0	0	0	0	110.9	L204 D219 F223	L204-A215 HydrophobicContact CB-CB 4.4Å; L204-A215 PolarHBondContact N-O 2.91Å; L204-A215 PolarHBondContact O-N 3.5Å; L204-A215 VanDerWaalsContact O-N 3.1Å; A215-D219 HydrophobicContact CB-CB 4.24Å; A215-F223 HydrophobicContact CB-CB 4.27Å; A215-F223 HydrophobicContact CB-CD1 4.44Å; A215-F223 HydrophobicContact CB-CD2 3.41Å; A215-F223 VanDerWaalsContact CB-CD2 3.41Å; A215-F223 HydrophobicContact CB-CE2 3.74Å; A215-F223 HydrophobicContact CB-CG 3.8Å; A215-F223 HydrophobicContact CB-CZ 4.37Å
216	L	94.1	Very high	90	Very high	27 Å²	27	67.8 Å²	67.8	14%	0.141	37%	0.366	C	S	.	.			trans	-83.1	159.2	179.2	-60.8	159.5	0	0	0	109.8	L191 R195 V200 L204 E218 D219	L191-L216 HydrophobicContact CD1-CD2 3.97Å; L191-L216 HydrophobicContact CD1-CG 4.04Å; L191-L216 HydrophobicContact CD2-CD2 4.42Å; L191-L216 HydrophobicContact CG-CD2 4.34Å; R195-L216 VanDerWaalsContact NH1-CD2 3.27Å; V200-L216 HydrophobicContact CG1-CD2 4.31Å; L204-L216 VanDerWaalsContact CD1-O 3.27Å; L204-L216 WeakPolarHBondContact CD1-O 3.47Å; L216-E218 HydrophobicContact CB-CG 3.98Å; L216-E218 WeakPolarHBondContact CD1-OE1 3.3Å; L216-E218 PolarHBondContact O-N 3.21Å; L216-D219 PolarHBondContact N-OD2 2.63Å; L216-D219 PolarHBondContact O-N 2.83Å; L216-D219 VanDerWaalsContact O-N 3.09Å
217	L	92.3	Very high	89.5	Confident	4 Å²	4	66 Å²	66	2%	0.021	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-60.5	-29.2	177.6	-67.2	-171.8	0	0	0	112.9	L126 P129 F202 L204 D219 W220 L251 L254	L126-L217 HydrophobicContact CD2-CB 4.36Å; P129-L217 HydrophobicContact CB-CD1 4.06Å; P129-L217 HydrophobicContact CG-CB 4.49Å; P129-L217 HydrophobicContact CG-CD1 3.95Å; P129-L217 HydrophobicContact CG-CG 4.43Å; F202-L217 HydrophobicContact CB-CD1 3.69Å; F202-L217 HydrophobicContact CB-CD2 4.41Å; F202-L217 HydrophobicContact CB-CG 4.1Å; F202-L217 HydrophobicContact CG-CD1 4.46Å; L204-L217 HydrophobicContact CD2-CD2 3.41Å; L204-L217 VanDerWaalsContact CD2-CD2 3.41Å; L204-L217 HydrophobicContact CG-CD2 4.15Å; L217-D219 PolarHBondContact O-N 2.8Å; L217-W220 PolarHBondContact O-N 3.48Å; L217-L251 HydrophobicContact CD1-CD1 3.83Å; L217-L251 HydrophobicContact CD2-CD1 4.47Å; L217-L254 HydrophobicContact CD1-CD2 4.26Å
218	E	92.4	Very high	89	Confident	90 Å²	90	69 Å²	69	42%	0.421	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-68.3	-23.2	177.9	66.9	-163.8	141.6	0	0	113.4	R195 L216 W220	R195-E218 IonicContact CZ-OE1 3.17Å; R195-E218 IonicContact NH1-OE1 2.93Å; R195-E218 PolarHBondContact NH1-OE1 3.4Å; L216-E218 HydrophobicContact CB-CG 3.98Å; L216-E218 WeakPolarHBondContact CD1-OE1 3.3Å; L216-E218 PolarHBondContact O-N 3.21Å; E218-W220 PolarHBondContact O-N 3.21Å
219	D	92.5	Very high	89	Confident	70 Å²	70	69.6 Å²	69.6	37%	0.374	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-87.8	13.9	-179.2	-59.1	-45.6	0	0	0	112.7	A215 L216 L217 E221 A222 F223	A215-D219 HydrophobicContact CB-CB 4.24Å; L216-D219 PolarHBondContact N-OD2 2.63Å; L216-D219 PolarHBondContact O-N 2.83Å; L216-D219 VanDerWaalsContact O-N 3.09Å; L217-D219 PolarHBondContact O-N 2.8Å; D219-E221 PolarHBondContact O-N 3.17Å; D219-A222 PolarHBondContact O-N 2.9Å; D219-A222 VanDerWaalsContact O-N 3.15Å; D219-F223 VanDerWaalsContact O-CB 3.23Å; D219-F223 WeakPolarHBondContact O-CB 3.4Å; D219-F223 PolarHBondContact O-N 2.97Å
220	W	91.7	Very high	89.7	Confident	6 Å²	6	63.4 Å²	63.4	2%	0.023	34%	0.338	C	S	.	.	H	α-helix	trans	-48.7	-51.9	-171.8	-178.9	-81.6	0	0	0	113.9	L204 L217 E218 F223 F224 V230 V232 L255 W259 L263	L204-W220 HydrophobicContact CD1-CB 4.22Å; L204-W220 HydrophobicContact CD1-CE3 3.96Å; L204-W220 HydrophobicContact CD2-CE3 3.54Å; L204-W220 HydrophobicContact CD2-CZ3 3.66Å; L204-W220 HydrophobicContact CG-CE3 4.41Å; L217-W220 PolarHBondContact O-N 3.48Å; E218-W220 PolarHBondContact O-N 3.21Å; W220-F223 PolarHBondContact O-N 3.08Å; W220-F224 HydrophobicContact CD2-CD2 4.03Å; W220-F224 HydrophobicContact CE3-CD2 4.13Å; W220-F224 HydrophobicContact CE3-CE2 4.17Å; W220-F224 HydrophobicContact CH2-CD2 4.32Å; W220-F224 HydrophobicContact CH2-CE2 4.29Å; W220-F224 HydrophobicContact CZ2-CD2 4.22Å; W220-F224 HydrophobicContact CZ3-CD2 4.26Å; W220-F224 HydrophobicContact CZ3-CE2 4.04Å; W220-F224 PolarHBondContact O-N 3.5Å; W220-V230 HydrophobicContact CH2-CB 4.23Å; W220-V230 HydrophobicContact CH2-CG1 4.32Å; W220-V230 HydrophobicContact CH2-CG2 3.91Å; W220-V230 HydrophobicContact CZ2-CG1 4.18Å; W220-V230 HydrophobicContact CZ2-CG2 4.43Å; W220-V232 HydrophobicContact CH2-CG1 4.46Å; W220-V232 HydrophobicContact CZ3-CG1 4Å; W220-L255 HydrophobicContact CE3-CD2 4.37Å; W220-L255 HydrophobicContact CH2-CD2 3.8Å; W220-L255 HydrophobicContact CZ3-CD2 3.54Å; W220-W259 HydrophobicContact CB-CH2 4.04Å; W220-W259 HydrophobicContact CB-CZ2 3.81Å; W220-W259 AromaticContact CD1-CE2 3.4Å; W220-W259 AromaticContact CD1-CZ2 3.54Å; W220-W259 AromaticContact CD1-NE1 3.44Å; W220-W259 HydrophobicContact CD2-CD2 4.01Å; W220-W259 AromaticContact CD2-CE2 3.9Å; W220-W259 HydrophobicContact CD2-CE3 4.02Å; W220-W259 AromaticContact CD2-CH2 3.83Å; W220-W259 HydrophobicContact CD2-CH2 3.83Å; W220-W259 AromaticContact CD2-CZ2 3.82Å; W220-W259 HydrophobicContact CD2-CZ2 3.82Å; W220-W259 AromaticContact CD2-CZ3 3.95Å; W220-W259 HydrophobicContact CD2-CZ3 3.95Å; W220-W259 AromaticContact CE2-CD2 3.57Å; W220-W259 AromaticContact CE2-CE2 3.73Å; W220-W259 AromaticContact CE2-CE3 3.87Å; W220-W259 AromaticContact CE2-CG 3.93Å; W220-W259 HydrophobicContact CE3-CE3 4.22Å; W220-W259 HydrophobicContact CE3-CH2 4.1Å; W220-W259 AromaticContact CE3-CZ3 3.95Å; W220-W259 HydrophobicContact CE3-CZ3 3.95Å; W220-W259 HydrophobicContact CG-CD2 4.32Å; W220-W259 AromaticContact CG-CE2 3.71Å; W220-W259 AromaticContact CG-CH2 3.79Å; W220-W259 HydrophobicContact CG-CH2 3.79Å; W220-W259 AromaticContact CG-CZ2 3.42Å; W220-W259 HydrophobicContact CG-CZ2 3.42Å; W220-W259 VanDerWaalsContact CG-CZ2 3.42Å; W220-W259 HydrophobicContact CG-CZ3 4.39Å; W220-W259 HydrophobicContact CH2-CE3 4.17Å; W220-W259 HydrophobicContact CZ2-CB 4.33Å; W220-W259 AromaticContact CZ2-CD2 3.87Å; W220-W259 HydrophobicContact CZ2-CD2 3.87Å; W220-W259 AromaticContact CZ2-CE3 3.95Å; W220-W259 HydrophobicContact CZ2-CE3 3.95Å; W220-W259 HydrophobicContact CZ2-CG 4.03Å; W220-W259 HydrophobicContact CZ3-CE3 4.31Å; W220-W259 HydrophobicContact CZ3-CZ3 4.3Å; W220-W259 AromaticContact NE1-CD1 3.58Å; W220-W259 AromaticContact NE1-CD2 3.63Å; W220-W259 AromaticContact NE1-CE2 3.4Å; W220-W259 AromaticContact NE1-CG 3.76Å; W220-W259 AromaticContact NE1-CZ2 3.97Å; W220-W259 AromaticContact NE1-NE1 3.35Å; W220-L263 HydrophobicContact CZ2-CD1 4.48Å; W220-L263 HydrophobicContact CZ2-CD2 4.08Å
221	E	88.8	Confident	90.5	Very high	164 Å²	164	57 Å²	57	77%	0.766	30%	0.304	S	S	*	.	H	α-helix	trans	-69.2	-34.8	-175.3	-61.6	-171.6	163	0	0	112.6	D219	D219-E221 PolarHBondContact O-N 3.17Å
222	A	90.6	Very high	90.9	Very high	90 Å²	90	55.7 Å²	55.7	74%	0.744	29%	0.292	S	S	*	.	H	α-helix	trans	-75.1	-32.1	175.9	0	0	0	0	0	111.5	D219	D219-A222 PolarHBondContact O-N 2.9Å; D219-A222 VanDerWaalsContact O-N 3.15Å
223	F	92.4	Very high	91	Very high	32 Å²	32	55.1 Å²	55.1	14%	0.14	29%	0.289	C	S	.	.	H	α-helix	trans	-82	-46.7	-175.3	-167.9	-106.6	0	0	0	112.1	L204 K206 H213 A215 D219 W220	L204-F223 HydrophobicContact CB-CD1 3.68Å; L204-F223 HydrophobicContact CB-CE1 3.74Å; L204-F223 HydrophobicContact CB-CG 4.45Å; L204-F223 HydrophobicContact CD1-CB 4.17Å; L204-F223 HydrophobicContact CD1-CD1 4.07Å; L204-F223 HydrophobicContact CD1-CG 4.38Å; K206-F223 HydrophobicContact CB-CE1 4.18Å; K206-F223 HydrophobicContact CB-CZ 3.86Å; K206-F223 HydrophobicContact CD-CD1 4.48Å; K206-F223 HydrophobicContact CD-CE1 4Å; K206-F223 HydrophobicContact CD-CZ 4.02Å; K206-F223 WeakPolarHBondContact CE-O 3.47Å; K206-F223 HydrophobicContact CG-CD1 4.42Å; K206-F223 HydrophobicContact CG-CE1 3.58Å; K206-F223 HydrophobicContact CG-CZ 3.73Å; K206-F223 PolarHBondContact NZ-O 2.87Å; H213-F223 HydrophobicContact CB-CE2 4.22Å; H213-F223 HydrophobicContact CB-CZ 4.36Å; A215-F223 HydrophobicContact CB-CB 4.27Å; A215-F223 HydrophobicContact CB-CD1 4.44Å; A215-F223 HydrophobicContact CB-CD2 3.41Å; A215-F223 VanDerWaalsContact CB-CD2 3.41Å; A215-F223 HydrophobicContact CB-CE2 3.74Å; A215-F223 HydrophobicContact CB-CG 3.8Å; A215-F223 HydrophobicContact CB-CZ 4.37Å; D219-F223 VanDerWaalsContact O-CB 3.23Å; D219-F223 WeakPolarHBondContact O-CB 3.4Å; D219-F223 PolarHBondContact O-N 2.97Å; W220-F223 PolarHBondContact O-N 3.08Å
224	F	90.6	Very high	91.1	Very high	14 Å²	14	49.6 Å²	49.6	6%	0.061	26%	0.263	C	S	.	.			trans	-100.8	112.3	-179.5	-68.8	-65.3	0	0	0	112.6	L204 K206 W220 T227 V230	L204-F224 HydrophobicContact CB-CE2 4.03Å; L204-F224 HydrophobicContact CB-CZ 4.34Å; L204-F224 HydrophobicContact CD1-CD2 4.31Å; L204-F224 HydrophobicContact CD1-CE2 3.99Å; L204-F224 HydrophobicContact CD2-CE2 4.06Å; L204-F224 HydrophobicContact CG-CE2 4.24Å; K206-F224 HydrophobicContact CD-CE1 4.48Å; K206-F224 VanDerWaalsContact CE-CD1 3.47Å; K206-F224 HydrophobicContact CG-CD1 4.48Å; K206-F224 HydrophobicContact CG-CE1 3.91Å; W220-F224 HydrophobicContact CD2-CD2 4.03Å; W220-F224 HydrophobicContact CE3-CD2 4.13Å; W220-F224 HydrophobicContact CE3-CE2 4.17Å; W220-F224 HydrophobicContact CH2-CD2 4.32Å; W220-F224 HydrophobicContact CH2-CE2 4.29Å; W220-F224 HydrophobicContact CZ2-CD2 4.22Å; W220-F224 HydrophobicContact CZ3-CD2 4.26Å; W220-F224 HydrophobicContact CZ3-CE2 4.04Å; W220-F224 PolarHBondContact O-N 3.5Å; F224-T227 HydrophobicContact CB-CG2 4.28Å; F224-V230 HydrophobicContact CD1-CB 4.36Å; F224-V230 HydrophobicContact CD1-CG1 3.95Å; F224-V230 HydrophobicContact CD2-CB 4.46Å; F224-V230 HydrophobicContact CD2-CG1 4.14Å; F224-V230 HydrophobicContact CE1-CB 4.07Å; F224-V230 HydrophobicContact CE1-CG1 4.18Å; F224-V230 HydrophobicContact CE2-CB 4.13Å; F224-V230 HydrophobicContact CE2-CG1 4.32Å; F224-V230 HydrophobicContact CG-CG1 3.96Å; F224-V230 HydrophobicContact CZ-CB 3.95Å; F224-V230 HydrophobicContact CZ-CG1 4.36Å
225	T	82.3	Confident	91.1	Very high	130 Å²	130	48.5 Å²	48.5	80%	0.798	26%	0.258	S	S	*	.	S	Bend	trans	-89.6	-35.9	172.9	49.8	0	0	0	0	112.5
226	D	83.1	Confident	91.1	Very high	97 Å²	97	48 Å²	48	52%	0.519	25%	0.253	S	S	.	.			trans	-105	128.5	165.9	-174.5	1.4	0	0	0	108.7	K228	D226-K228 WeakPolarHBondContact OD1-CB 3.49Å; D226-K228 WeakPolarHBondContact OD1-CG 3.35Å; D226-K228 PolarHBondContact OD1-N 3.36Å
227	T	81.7	Confident	91.2	Very high	35 Å²	35	46.7 Å²	46.7	22%	0.215	25%	0.247	C	C	.	.			trans	-108.5	0.9	-176.7	46.3	0	0	0	0	112.8	F224 K229 K262 L263	F224-T227 HydrophobicContact CB-CG2 4.28Å; T227-K229 PolarHBondContact O-N 3.01Å; T227-K262 CarbonylContact C-O 3.53Å; T227-K262 VanDerWaalsContact O-O 3.14Å; T227-L263 WeakPolarHBondContact O-CD2 3.11Å
228	K	82.2	Confident	91.3	Very high	132 Å²	132	46.6 Å²	46.6	57%	0.574	25%	0.247	S	C	*	.	S	Bend	trans	-61.6	-47.3	178.2	-69.8	-176.1	177.1	-177.1	0	112.4	D226 D264 V265	D226-K228 WeakPolarHBondContact OD1-CB 3.49Å; D226-K228 WeakPolarHBondContact OD1-CG 3.35Å; D226-K228 PolarHBondContact OD1-N 3.36Å; K228-D264 WeakPolarHBondContact O-CB 3.27Å; K228-D264 PolarHBondContact O-N 3.25Å; K228-D264 VanDerWaalsContact O-N 3.07Å; K228-V265 PolarHBondContact O-N 3.02Å
229	K	88.9	Confident	91.2	Very high	99 Å²	99	42.9 Å²	42.9	43%	0.43	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.3	172.7	-173.1	-177.5	178.4	-172.2	0	109.7	T227 V265 E267 Q289	T227-K229 PolarHBondContact O-N 3.01Å; K229-V265 WeakPolarHBondContact CA-O 3.36Å; K229-V265 HydrophobicContact CG-CB 4.37Å; K229-V265 HydrophobicContact CG-CG1 4.41Å; K229-E267 VanDerWaalsContact CE-OE1 3.26Å; K229-E267 WeakPolarHBondContact CE-OE1 3.23Å; K229-E267 IonicContact NZ-OE1 2.81Å; K229-E267 PolarHBondContact NZ-OE1 3.45Å; K229-Q289 VanDerWaalsContact NZ-NE2 3.18Å
230	V	93.9	Very high	91.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.9	177.7	-60.9	0	0	0	0	110.4	W220 F224 L263 V265 V266 E267	W220-V230 HydrophobicContact CH2-CB 4.23Å; W220-V230 HydrophobicContact CH2-CG1 4.32Å; W220-V230 HydrophobicContact CH2-CG2 3.91Å; W220-V230 HydrophobicContact CZ2-CG1 4.18Å; W220-V230 HydrophobicContact CZ2-CG2 4.43Å; F224-V230 HydrophobicContact CD1-CB 4.36Å; F224-V230 HydrophobicContact CD1-CG1 3.95Å; F224-V230 HydrophobicContact CD2-CB 4.46Å; F224-V230 HydrophobicContact CD2-CG1 4.14Å; F224-V230 HydrophobicContact CE1-CB 4.07Å; F224-V230 HydrophobicContact CE1-CG1 4.18Å; F224-V230 HydrophobicContact CE2-CB 4.13Å; F224-V230 HydrophobicContact CE2-CG1 4.32Å; F224-V230 HydrophobicContact CG-CG1 3.96Å; F224-V230 HydrophobicContact CZ-CB 3.95Å; F224-V230 HydrophobicContact CZ-CG1 4.36Å; V230-L263 HydrophobicContact CB-CD2 4.23Å; V230-L263 HydrophobicContact CG1-CD2 3.66Å; V230-L263 HydrophobicContact CG2-CD1 4.44Å; V230-L263 HydrophobicContact CG2-CD2 3.51Å; V230-V265 PolarHBondContact N-O 2.85Å; V230-V266 HydrophobicContact CG2-CB 4.47Å; V230-V266 HydrophobicContact CG2-CG1 4.34Å; V230-V266 HydrophobicContact CG2-CG2 4.01Å; V230-E267 PolarHBondContact O-N 2.7Å
231	T	95.5	Very high	90.9	Very high	11 Å²	11	46.3 Å²	46.3	7%	0.067	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.6	176.3	-44.4	0	0	0	0	110.6	M205 Y207 E267	M205-T231 HydrophobicContact CB-CG2 4.24Å; M205-T231 HydrophobicContact CE-CG2 3.74Å; M205-T231 PolarHBondContact N-O 3.39Å; M205-T231 WeakPolarHBondContact O-CB 3.36Å; Y207-T231 HydrophobicContact CE1-CG2 4.37Å; T231-E267 CarbonylContact C-O 3.59Å; T231-E267 WeakPolarHBondContact CA-O 2.97Å; T231-E267 HydrophobicContact CG2-CB 4.03Å; T231-E267 HydrophobicContact CG2-CG 4.07Å
232	V	96.8	Very high	90.9	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.2	-180	-61.7	0	0	0	0	110.2	L204 W220 L251 L255 V266 E267 V268 L269	L204-V232 HydrophobicContact CD2-CG1 4.07Å; W220-V232 HydrophobicContact CH2-CG1 4.46Å; W220-V232 HydrophobicContact CZ3-CG1 4Å; V232-L251 HydrophobicContact CG2-CD2 4.44Å; V232-L255 HydrophobicContact CB-CD1 4.42Å; V232-L255 HydrophobicContact CG1-CD1 3.97Å; V232-L255 HydrophobicContact CG1-CD2 4.44Å; V232-L255 HydrophobicContact CG2-CD1 3.91Å; V232-V266 HydrophobicContact CG2-CG1 3.81Å; V232-E267 PolarHBondContact N-O 2.82Å; V232-V268 HydrophobicContact CG2-CG2 4.08Å; V232-V268 WeakPolarHBondContact O-CA 3.21Å; V232-L269 PolarHBondContact O-N 3.31Å
233	G	96.4	Very high	90.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	142.5	177.1	0	0	0	0	0	112.2	F202 F203 L269	F202-G233 WeakPolarHBondContact CA-O 3.2Å; F203-G233 PolarHBondContact N-O 3.49Å; F203-G233 PolarHBondContact O-N 2.83Å; G233-L269 CarbonylContact C-O 3.58Å; G233-L269 WeakPolarHBondContact CA-O 3.25Å
234	V	96.4	Very high	91	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.8	169.9	58.1	0	0	0	0	109.3	F202 D236 P247 L248 V268 L269 C270 F271	F202-V234 HydrophobicContact CD1-CB 4.1Å; F202-V234 HydrophobicContact CD1-CG2 3.79Å; F202-V234 HydrophobicContact CE1-CB 4.33Å; F202-V234 HydrophobicContact CE1-CG2 3.58Å; V234-D236 HydrophobicContact CG1-CB 4.4Å; V234-D236 PolarHBondContact O-N 2.93Å; V234-P247 HydrophobicContact CG2-CB 3.96Å; V234-L248 HydrophobicContact CB-CD1 4.5Å; V234-L248 HydrophobicContact CG1-CB 4.44Å; V234-L248 HydrophobicContact CG1-CD1 4.17Å; V234-V268 HydrophobicContact CG1-CG1 4.39Å; V234-L269 PolarHBondContact N-O 3.27Å; V234-C270 HydrophobicContact CG1-CB 4.46Å; V234-F271 WeakPolarHBondContact O-CB 3.25Å; V234-F271 PolarHBondContact O-N 3.26Å
235	Y	95.6	Very high	91.2	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	99.5	167.3	-170.9	-86.6	0	0	0	108	Y55 N57 R83 C85 Y188 A199 P201 P237 F271	Y55-Y235 HydrophobicContact CD2-CD1 4.13Å; Y55-Y235 HydrophobicContact CD2-CE1 4.39Å; Y55-Y235 AromaticContact CE2-CD1 3.79Å; Y55-Y235 HydrophobicContact CE2-CD1 3.79Å; Y55-Y235 HydrophobicContact CE2-CE1 4.46Å; N57-Y235 HydrophobicContact CB-CD1 4.01Å; N57-Y235 HydrophobicContact CB-CE1 3.54Å; N57-Y235 HydrophobicContact CB-CE2 4.4Å; N57-Y235 VanDerWaalsContact CG-CE1 3.48Å; N57-Y235 VanDerWaalsContact CG-CE2 3.44Å; N57-Y235 VanDerWaalsContact CG-OH 3.29Å; N57-Y235 PolarHBondContact N-OH 3.18Å; N57-Y235 VanDerWaalsContact ND2-CE2 3.31Å; N57-Y235 WeakPolarHBondContact ND2-CE2 3.22Å; N57-Y235 WeakPolarHBondContact OD1-CE2 3.17Å; N57-Y235 PolarHBondContact OD1-OH 3.34Å; R83-Y235 PolarHBondContact O-OH 3.18Å; C85-Y235 HydrophobicContact CB-CD1 4.39Å; C85-Y235 VanDerWaalsContact SG-CD1 3.53Å; Y188-Y235 VanDerWaalsContact OH-CD2 3.28Å; Y188-Y235 WeakPolarHBondContact OH-CD2 3.16Å; A199-Y235 HydrophobicContact CB-CD2 4.32Å; A199-Y235 HydrophobicContact CB-CE2 3.96Å; P201-Y235 PolarHBondContact O-N 3.47Å; Y235-P237 WeakPolarHBondContact O-CD 3.34Å; Y235-F271 HydrophobicContact CD2-CD1 4.27Å
236	D	95.6	Very high	91.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.181	C	C	.	.			trans	-99.1	105.9	-164.7	-177.7	22.8	0	0	0	112.2	N57 V234 C238 G245 C270 F271 R272	N57-D236 WeakPolarHBondContact CB-O 3.47Å; V234-D236 HydrophobicContact CG1-CB 4.4Å; V234-D236 PolarHBondContact O-N 2.93Å; D236-C238 PolarHBondContact O-N 3.14Å; D236-C238 VanDerWaalsContact O-N 3.13Å; D236-C238 VanDerWaalsContact OD1-CB 3.26Å; D236-C238 WeakPolarHBondContact OD1-CB 3.23Å; D236-C238 PolarHBondContact OD1-N 3.01Å; D236-G245 WeakPolarHBondContact OD1-CA 3.43Å; D236-G245 PolarHBondContact OD1-N 2.85Å; D236-C270 HydrophobicContact CB-CB 3.77Å; D236-C270 WeakPolarHBondContact OD2-CB 3.37Å; D236-F271 PolarHBondContact N-O 3.08Å; D236-R272 HydrophobicContact CB-CG 4.16Å; D236-R272 IonicContact OD2-CZ 3.29Å; D236-R272 VanDerWaalsContact OD2-CZ 3.29Å; D236-R272 IonicContact OD2-NE 2.93Å; D236-R272 PolarHBondContact OD2-NE 3.21Å; D236-R272 IonicContact OD2-NH2 2.79Å; D236-R272 PolarHBondContact OD2-NH2 2.82Å
237	P	94.5	Very high	92.3	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.157	C	C	.	.			trans	-69	-4.3	176.4	23.7	-29.2	0	0	0	114.2	F22 Y55 Y56 T65 Y235 P247	F22-P237 HydrophobicContact CE1-CB 4.26Å; F22-P237 HydrophobicContact CE1-CG 3.56Å; F22-P237 HydrophobicContact CZ-CG 3.9Å; Y55-P237 HydrophobicContact CD2-CB 4Å; Y55-P237 HydrophobicContact CD2-CG 3.63Å; Y55-P237 HydrophobicContact CE2-CG 4.18Å; Y55-P237 HydrophobicContact CG-CG 4.38Å; Y56-P237 WeakPolarHBondContact O-CB 3.48Å; T65-P237 HydrophobicContact CG2-CB 3.57Å; T65-P237 HydrophobicContact CG2-CG 3.39Å; Y235-P237 WeakPolarHBondContact O-CD 3.34Å; P237-P247 HydrophobicContact CG-CG 3.99Å
238	C	94.5	Very high	93	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	15%	0.147	C	C	.	.			trans	-76.4	143	-179.4	-170.1	0	0	0	0	112.6	A20 D236 L240 H243 R272	A20-C238 HydrophobicContact CB-CB 4.24Å; A20-C238 WeakPolarHBondContact CB-SG 2.85Å; D236-C238 PolarHBondContact O-N 3.14Å; D236-C238 VanDerWaalsContact O-N 3.13Å; D236-C238 VanDerWaalsContact OD1-CB 3.26Å; D236-C238 WeakPolarHBondContact OD1-CB 3.23Å; D236-C238 PolarHBondContact OD1-N 3.01Å; C238-L240 PolarHBondContact SG-N 2.78Å; C238-L240 VanDerWaalsContact SG-N 3.39Å; C238-H243 PolarHBondContact SG-O 3.48Å; C238-R272 WeakPolarHBondContact O-CD 3.45Å; C238-R272 VanDerWaalsContact O-CZ 3.3Å; C238-R272 PolarHBondContact O-NE 2.85Å
239	T	90.8	Very high	93.6	Very high	11 Å²	11	26.2 Å²	26.2	7%	0.067	13%	0.129	C	C	.	.			trans	-102.2	-6.9	178.5	65.3	0	0	0	0	113.8	D59 P60 L63	D59-T239 HydrophobicContact CB-CG2 4.1Å; P60-T239 WeakPolarHBondContact O-CG2 3.41Å; L63-T239 WeakPolarHBondContact O-CG2 3.37Å; L63-T239 PolarHBondContact O-OG1 2.93Å
240	L	90.8	Very high	93.8	Very high	85 Å²	85	21.8 Å²	21.8	45%	0.445	11%	0.11	S	C	.	.			trans	-83.9	129.1	-175	-59	176.4	0	0	0	111.7	A20 C238 Q242 H243 R272	A20-L240 HydrophobicContact CB-CD1 4.33Å; C238-L240 PolarHBondContact SG-N 2.78Å; C238-L240 VanDerWaalsContact SG-N 3.39Å; L240-Q242 VanDerWaalsContact C-N 3.3Å; L240-Q242 PolarHBondContact O-N 3.45Å; L240-H243 HydrophobicContact CB-CB 4.43Å; L240-H243 HydrophobicContact CD1-CB 4.5Å; L240-R272 VanDerWaalsContact C-NH1 3.33Å; L240-R272 PolarHBondContact O-NH1 3.39Å; L240-R272 PolarHBondContact O-NH2 3.32Å
241	S	87.8	Confident	93.9	Very high	63 Å²	63	21.8 Å²	21.8	44%	0.441	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.8	-178	51.8	0	0	0	0	114.4	V286	S241-V286 WeakPolarHBondContact O-CG2 3.45Å
242	Q	88.1	Confident	93.9	Very high	137 Å²	137	21.2 Å²	21.2	64%	0.64	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-4.8	-174	-62.8	-172.1	-0.7	0	0	114.6	P169 L240	P169-Q242 WeakPolarHBondContact CG-O 3.32Å; L240-Q242 VanDerWaalsContact C-N 3.3Å; L240-Q242 PolarHBondContact O-N 3.45Å
243	H	91.6	Very high	93.7	Very high	56 Å²	56	21.2 Å²	21.2	26%	0.259	11%	0.107	S	C	.	.			trans	-135.6	133.4	-174.7	-60.2	-50.5	0	0	0	111.5	C238 L240 R272	C238-H243 PolarHBondContact SG-O 3.48Å; L240-H243 HydrophobicContact CB-CB 4.43Å; L240-H243 HydrophobicContact CD1-CB 4.5Å; H243-R272 PolarHBondContact O-NH2 2.9Å
244	P	94.3	Very high	93.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.			trans	-70.4	157.1	166.8	31.3	-38.7	0	0	0	111.6	L17 Q18 F19 A20 L248 C270 F288	L17-P244 HydrophobicContact CD1-CG 3.99Å; L17-P244 HydrophobicContact CG-CG 4.47Å; Q18-P244 VanDerWaalsContact O-CD 3.29Å; Q18-P244 WeakPolarHBondContact O-CD 3.46Å; F19-P244 CarbonylContact C-O 3.52Å; F19-P244 WeakPolarHBondContact CA-O 3.47Å; F19-P244 HydrophobicContact CD1-CB 4.4Å; F19-P244 HydrophobicContact CD1-CG 3.71Å; F19-P244 HydrophobicContact CE1-CG 4.02Å; F19-P244 HydrophobicContact CG-CG 4.45Å; A20-P244 PolarHBondContact N-O 3.17Å; P244-L248 HydrophobicContact CB-CB 4.44Å; P244-L248 HydrophobicContact CB-CD2 3.52Å; P244-L248 HydrophobicContact CG-CD2 3.82Å; P244-C270 VanDerWaalsContact CB-SG 3.54Å; P244-F288 HydrophobicContact CB-CE1 4.22Å; P244-F288 HydrophobicContact CB-CZ 4.15Å; P244-F288 HydrophobicContact CG-CE1 4.42Å; P244-F288 HydrophobicContact CG-CZ 4.01Å
245	G	93.8	Very high	93.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-73.9	170.3	171.4	0	0	0	0	0	114.5	D236 L248	D236-G245 WeakPolarHBondContact OD1-CA 3.43Å; D236-G245 PolarHBondContact OD1-N 2.85Å; G245-L248 PolarHBondContact O-N 2.83Å
246	W	94.9	Very high	93.2	Very high	26 Å²	26	21.1 Å²	21.1	10%	0.098	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-38	-177.9	-158.1	-105.5	0	0	0	115.8	F19 A20 P21 F22 F154 A156 L248 R249 V305	F19-W246 HydrophobicContact CB-CE3 4.23Å; A20-W246 WeakPolarHBondContact O-CB 3.36Å; A20-W246 PolarHBondContact O-N 3.17Å; P21-W246 VanDerWaalsContact CA-CE3 3.44Å; P21-W246 HydrophobicContact CB-CE3 3.95Å; P21-W246 HydrophobicContact CB-CZ3 4.01Å; F22-W246 HydrophobicContact CD2-CB 3.58Å; F22-W246 AromaticContact CD2-CD1 3.58Å; F22-W246 AromaticContact CD2-CG 3.85Å; F22-W246 HydrophobicContact CD2-CG 3.85Å; F22-W246 HydrophobicContact CE2-CB 3.91Å; F22-W246 HydrophobicContact CE2-CG 4.41Å; F22-W246 HydrophobicContact CG-CB 4.11Å; F154-W246 PolarHBondContact O-NE1 2.84Å; A156-W246 HydrophobicContact CB-CZ2 3.57Å; W246-L248 PolarHBondContact O-N 3.41Å; W246-L248 VanDerWaalsContact O-N 3.07Å; W246-R249 VanDerWaalsContact CZ3-NE 3.28Å; W246-R249 PolarHBondContact O-N 3.46Å; W246-V305 HydrophobicContact CH2-CG2 4.02Å; W246-V305 HydrophobicContact CZ2-CG2 4.16Å
247	P	94.8	Very high	92.9	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.019	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-31.1	-179	-33	40	0	0	0	115.1	F22 Y55 F202 V234 P237 R249	F22-P247 HydrophobicContact CE2-CG 3.79Å; F22-P247 HydrophobicContact CZ-CG 3.48Å; F22-P247 VanDerWaalsContact CZ-CG 3.48Å; Y55-P247 HydrophobicContact CE2-CG 4.15Å; F202-P247 HydrophobicContact CE1-CB 4.1Å; F202-P247 HydrophobicContact CZ-CB 4.11Å; V234-P247 HydrophobicContact CG2-CB 3.96Å; P237-P247 HydrophobicContact CG-CG 3.99Å; P247-R249 PolarHBondContact O-N 2.97Å
248	L	95.4	Very high	92.6	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-29.6	-175.7	-179.1	61	0	0	0	113	F19 V234 P244 G245 W246 N250 L251 L252 V268 F288	F19-L248 HydrophobicContact CD1-CB 4.33Å; F19-L248 HydrophobicContact CE1-CB 4.01Å; F19-L248 HydrophobicContact CE1-CD2 3.91Å; F19-L248 HydrophobicContact CE1-CG 3.97Å; V234-L248 HydrophobicContact CB-CD1 4.5Å; V234-L248 HydrophobicContact CG1-CB 4.44Å; V234-L248 HydrophobicContact CG1-CD1 4.17Å; P244-L248 HydrophobicContact CB-CB 4.44Å; P244-L248 HydrophobicContact CB-CD2 3.52Å; P244-L248 HydrophobicContact CG-CD2 3.82Å; G245-L248 PolarHBondContact O-N 2.83Å; W246-L248 PolarHBondContact O-N 3.41Å; W246-L248 VanDerWaalsContact O-N 3.07Å; L248-N250 PolarHBondContact O-N 3.16Å; L248-L251 HydrophobicContact CD1-CD2 4.01Å; L248-L251 WeakPolarHBondContact O-CB 3.31Å; L248-L251 PolarHBondContact O-N 3.2Å; L248-L252 HydrophobicContact CD1-CD1 4.26Å; L248-L252 HydrophobicContact CD1-CD2 3.95Å; L248-L252 HydrophobicContact CD1-CG 3.84Å; L248-L252 HydrophobicContact CD2-CD1 4.14Å; L248-L252 HydrophobicContact CG-CD1 3.82Å; L248-L252 HydrophobicContact CG-CD2 4.42Å; L248-L252 HydrophobicContact CG-CG 3.9Å; L248-L252 WeakPolarHBondContact O-CG 3.39Å; L248-L252 PolarHBondContact O-N 2.91Å; L248-V268 HydrophobicContact CD1-CG1 3.72Å; L248-V268 HydrophobicContact CD2-CG1 3.85Å; L248-V268 HydrophobicContact CG-CG1 4.47Å; L248-F288 HydrophobicContact CD2-CE1 4.35Å; L248-F288 HydrophobicContact CD2-CE2 4.48Å; L248-F288 HydrophobicContact CD2-CZ 3.57Å
249	R	94.2	Very high	92.4	Very high	50 Å²	50	26.3 Å²	26.3	19%	0.189	13%	0.129	C	C	.	.	H	α-helix	trans	-55.4	-51.9	-174.1	-72.2	-177.6	164.4	-129.3	-0.1	112.8	F19 A156 W246 P247 L251 L252 V253	F19-R249 HydrophobicContact CB-CG 4.31Å; F19-R249 HydrophobicContact CD1-CG 3.58Å; F19-R249 HydrophobicContact CD2-CG 3.77Å; F19-R249 VanDerWaalsContact CD2-NE 3.27Å; F19-R249 HydrophobicContact CE1-CG 3.67Å; F19-R249 HydrophobicContact CE2-CG 3.86Å; F19-R249 HydrophobicContact CG-CG 3.62Å; F19-R249 HydrophobicContact CZ-CG 3.81Å; A156-R249 HydrophobicContact CB-CB 4.11Å; W246-R249 VanDerWaalsContact CZ3-NE 3.28Å; W246-R249 PolarHBondContact O-N 3.46Å; P247-R249 PolarHBondContact O-N 2.97Å; R249-L251 VanDerWaalsContact C-N 3.35Å; R249-L252 PolarHBondContact O-N 3.04Å; R249-V253 PolarHBondContact O-N 2.93Å
250	N	94.9	Very high	92	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.027	13%	0.129	C	C	.	.	H	α-helix	trans	-73.8	-29.6	-176.5	-67.8	-22.5	0	0	0	111.7	L132 P155 A156 L157 L248 V253 L254	L132-N250 HydrophobicContact CB-CB 4.04Å; L132-N250 HydrophobicContact CD2-CB 4.18Å; L132-N250 PolarHBondContact O-ND2 3.36Å; P155-N250 PolarHBondContact O-ND2 3.19Å; A156-N250 VanDerWaalsContact CA-OD1 3.31Å; A156-N250 WeakPolarHBondContact CA-OD1 3.31Å; L157-N250 PolarHBondContact N-OD1 2.85Å; L248-N250 PolarHBondContact O-N 3.16Å; N250-V253 PolarHBondContact O-N 3.48Å; N250-L254 PolarHBondContact O-N 3.29Å
251	L	95.4	Very high	91.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-46.9	171.8	-179.2	70.8	0	0	0	111.5	L132 F202 L217 V232 L248 R249 V253 L254 L255	L132-L251 HydrophobicContact CD1-CD1 4.35Å; F202-L251 HydrophobicContact CB-CD1 4.19Å; F202-L251 HydrophobicContact CD1-CB 4.12Å; F202-L251 HydrophobicContact CD1-CD1 4.05Å; F202-L251 HydrophobicContact CD1-CD2 3.68Å; F202-L251 HydrophobicContact CD1-CG 4.16Å; F202-L251 HydrophobicContact CE1-CB 3.91Å; F202-L251 HydrophobicContact CE1-CD2 4.21Å; F202-L251 HydrophobicContact CE1-CG 4.46Å; F202-L251 HydrophobicContact CG-CD1 4.09Å; F202-L251 HydrophobicContact CG-CD2 4.44Å; F202-L251 HydrophobicContact CZ-CB 4.5Å; L217-L251 HydrophobicContact CD1-CD1 3.83Å; L217-L251 HydrophobicContact CD2-CD1 4.47Å; V232-L251 HydrophobicContact CG2-CD2 4.44Å; L248-L251 HydrophobicContact CD1-CD2 4.01Å; L248-L251 WeakPolarHBondContact O-CB 3.31Å; L248-L251 PolarHBondContact O-N 3.2Å; R249-L251 VanDerWaalsContact C-N 3.35Å; L251-V253 VanDerWaalsContact C-N 3.25Å; L251-V253 PolarHBondContact O-N 2.92Å; L251-L254 HydrophobicContact CD1-CD2 4.01Å; L251-L254 WeakPolarHBondContact O-CB 3.36Å; L251-L254 PolarHBondContact O-N 3.44Å; L251-L254 VanDerWaalsContact O-N 3.14Å; L251-L255 HydrophobicContact CG-CD1 4.26Å; L251-L255 HydrophobicContact CG-CG 4.46Å; L251-L255 WeakPolarHBondContact O-CG 3.34Å; L251-L255 PolarHBondContact O-N 2.92Å
252	L	94.6	Very high	91.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-36.1	180	-64.4	175.6	0	0	0	111.7	L17 F19 F159 L163 L248 R249 L255 A256 V268 V290 L292	L17-L252 HydrophobicContact CD2-CD1 3.95Å; F19-L252 HydrophobicContact CE1-CD1 4.22Å; F19-L252 HydrophobicContact CZ-CD1 4Å; F159-L252 HydrophobicContact CE2-CB 4.04Å; F159-L252 HydrophobicContact CZ-CB 4.26Å; L163-L252 HydrophobicContact CD1-CB 4.4Å; L163-L252 HydrophobicContact CD1-CD1 3.54Å; L248-L252 HydrophobicContact CD1-CD1 4.26Å; L248-L252 HydrophobicContact CD1-CD2 3.95Å; L248-L252 HydrophobicContact CD1-CG 3.84Å; L248-L252 HydrophobicContact CD2-CD1 4.14Å; L248-L252 HydrophobicContact CG-CD1 3.82Å; L248-L252 HydrophobicContact CG-CD2 4.42Å; L248-L252 HydrophobicContact CG-CG 3.9Å; L248-L252 WeakPolarHBondContact O-CG 3.39Å; L248-L252 PolarHBondContact O-N 2.91Å; R249-L252 PolarHBondContact O-N 3.04Å; L252-L255 PolarHBondContact O-N 3.23Å; L252-A256 VanDerWaalsContact O-CB 3.32Å; L252-A256 WeakPolarHBondContact O-CB 3.36Å; L252-A256 PolarHBondContact O-N 2.79Å; L252-V268 HydrophobicContact CD2-CG2 4.18Å; L252-V290 HydrophobicContact CD2-CG2 4.33Å; L252-L292 HydrophobicContact CB-CD2 4.21Å; L252-L292 HydrophobicContact CD2-CD2 4.16Å
253	V	93.4	Very high	91.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.7	-42.8	174.4	173.2	0	0	0	0	111.5	W117 I120 L157 F159 R249 N250 L251 A256 K257 L302	W117-V253 HydrophobicContact CE3-CG1 4.22Å; W117-V253 HydrophobicContact CZ3-CG1 3.72Å; I120-V253 HydrophobicContact CD1-CG1 4.18Å; L157-V253 HydrophobicContact CB-CB 4.44Å; L157-V253 HydrophobicContact CB-CG1 4.24Å; L157-V253 HydrophobicContact CB-CG2 3.96Å; L157-V253 HydrophobicContact CD1-CG1 3.88Å; F159-V253 HydrophobicContact CD2-CG2 4.26Å; F159-V253 HydrophobicContact CE1-CG2 4.22Å; F159-V253 HydrophobicContact CE2-CG2 3.65Å; F159-V253 HydrophobicContact CZ-CB 4.31Å; F159-V253 HydrophobicContact CZ-CG2 3.66Å; R249-V253 PolarHBondContact O-N 2.93Å; N250-V253 PolarHBondContact O-N 3.48Å; L251-V253 VanDerWaalsContact C-N 3.25Å; L251-V253 PolarHBondContact O-N 2.92Å; V253-A256 PolarHBondContact O-N 3.48Å; V253-K257 VanDerWaalsContact O-CB 3.24Å; V253-K257 WeakPolarHBondContact O-CB 3.07Å; V253-K257 PolarHBondContact O-N 3.35Å; V253-L302 HydrophobicContact CG1-CD1 3.7Å; V253-L302 HydrophobicContact CG2-CD1 4.15Å
254	L	93.5	Very high	91.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.8	-49.7	173.1	172.8	107	0	0	0	110.8	I120 A125 L126 L217 N250 L251 K257 Q258	I120-L254 HydrophobicContact CB-CD1 4.31Å; I120-L254 HydrophobicContact CD1-CB 4.32Å; I120-L254 HydrophobicContact CG1-CB 4.15Å; I120-L254 HydrophobicContact CG1-CD1 3.89Å; I120-L254 HydrophobicContact CG2-CB 4.35Å; I120-L254 HydrophobicContact CG2-CD1 4.19Å; A125-L254 HydrophobicContact CB-CD1 3.65Å; L126-L254 HydrophobicContact CD2-CD1 4.11Å; L126-L254 HydrophobicContact CD2-CD2 3.85Å; L126-L254 HydrophobicContact CD2-CG 4.33Å; L217-L254 HydrophobicContact CD1-CD2 4.26Å; N250-L254 PolarHBondContact O-N 3.29Å; L251-L254 HydrophobicContact CD1-CD2 4.01Å; L251-L254 WeakPolarHBondContact O-CB 3.36Å; L251-L254 PolarHBondContact O-N 3.44Å; L251-L254 VanDerWaalsContact O-N 3.14Å; L254-K257 PolarHBondContact O-N 2.92Å; L254-Q258 WeakPolarHBondContact O-CB 3.28Å; L254-Q258 WeakPolarHBondContact O-CG 3.37Å; L254-Q258 PolarHBondContact O-N 3.23Å
255	L	92.6	Very high	91.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-45.9	-179.5	-65.1	176.5	0	0	0	112.3	W220 V232 L251 L252 K257 Q258 W259 G260 V266 L292	W220-L255 HydrophobicContact CE3-CD2 4.37Å; W220-L255 HydrophobicContact CH2-CD2 3.8Å; W220-L255 HydrophobicContact CZ3-CD2 3.54Å; V232-L255 HydrophobicContact CB-CD1 4.42Å; V232-L255 HydrophobicContact CG1-CD1 3.97Å; V232-L255 HydrophobicContact CG1-CD2 4.44Å; V232-L255 HydrophobicContact CG2-CD1 3.91Å; L251-L255 HydrophobicContact CG-CD1 4.26Å; L251-L255 HydrophobicContact CG-CG 4.46Å; L251-L255 WeakPolarHBondContact O-CG 3.34Å; L251-L255 PolarHBondContact O-N 2.92Å; L252-L255 PolarHBondContact O-N 3.23Å; L255-K257 VanDerWaalsContact C-N 3.28Å; L255-K257 PolarHBondContact O-N 2.95Å; L255-Q258 PolarHBondContact O-N 3.39Å; L255-W259 HydrophobicContact CD2-CE3 3.88Å; L255-W259 HydrophobicContact CD2-CZ3 3.84Å; L255-W259 PolarHBondContact O-N 3.49Å; L255-G260 PolarHBondContact O-N 2.91Å; L255-V266 HydrophobicContact CD1-CG1 4.2Å; L255-L292 HydrophobicContact CB-CD1 3.65Å
256	A	91.3	Very high	91.3	Very high	2 Å²	2	26.4 Å²	26.4	2%	0.017	14%	0.135	C	C	.	.	H	α-helix	trans	-63	-37.6	179.1	0	0	0	0	0	111.6	F159 L252 V253 G260 L292 L295	F159-A256 HydrophobicContact CE1-CB 3.69Å; F159-A256 HydrophobicContact CZ-CB 3.9Å; L252-A256 VanDerWaalsContact O-CB 3.32Å; L252-A256 WeakPolarHBondContact O-CB 3.36Å; L252-A256 PolarHBondContact O-N 2.79Å; V253-A256 PolarHBondContact O-N 3.48Å; A256-G260 VanDerWaalsContact O-CA 3.26Å; A256-G260 WeakPolarHBondContact O-CA 3.49Å; A256-G260 PolarHBondContact O-N 2.9Å; A256-L292 HydrophobicContact CB-CB 4.17Å; A256-L292 HydrophobicContact CB-CD1 4.16Å; A256-L295 HydrophobicContact CB-CD1 3.85Å; A256-L295 HydrophobicContact CB-CG 4.28Å
257	K	90.2	Very high	91.4	Very high	23 Å²	23	25.3 Å²	25.3	10%	0.1	13%	0.131	C	C	.	.	H	α-helix	trans	-72.9	-41.2	-179.3	-178	54.7	177.6	161.4	0	112.9	W117 I120 V253 L254 L255 L295 P296 N297	W117-K257 HydrophobicContact CH2-CD 4.15Å; W117-K257 HydrophobicContact CH2-CG 4.42Å; I120-K257 HydrophobicContact CG2-CB 4.09Å; I120-K257 HydrophobicContact CG2-CG 4.07Å; V253-K257 VanDerWaalsContact O-CB 3.24Å; V253-K257 WeakPolarHBondContact O-CB 3.07Å; V253-K257 PolarHBondContact O-N 3.35Å; L254-K257 PolarHBondContact O-N 2.92Å; L255-K257 VanDerWaalsContact C-N 3.28Å; L255-K257 PolarHBondContact O-N 2.95Å; K257-L295 HydrophobicContact CB-CD1 4.24Å; K257-L295 HydrophobicContact CD-CB 4.36Å; K257-P296 PolarHBondContact NZ-O 3.32Å; K257-N297 VanDerWaalsContact NZ-CA 3.26Å; K257-N297 PolarHBondContact NZ-O 2.91Å
258	Q	88.1	Confident	91.5	Very high	70 Å²	70	25.2 Å²	25.2	33%	0.327	13%	0.13	S	C	.	.	H	α-helix	trans	-84.7	-36.4	-175.5	-67.9	-66.6	-5	0	0	112.6	I120 L254 L255	I120-Q258 PolarHBondContact O-NE2 3.39Å; L254-Q258 WeakPolarHBondContact O-CB 3.28Å; L254-Q258 WeakPolarHBondContact O-CG 3.37Å; L254-Q258 PolarHBondContact O-N 3.23Å; L255-Q258 PolarHBondContact O-N 3.39Å
259	W	89.3	Confident	91.6	Very high	21 Å²	21	25.1 Å²	25.1	8%	0.08	13%	0.13	C	C	.	.	H	α-helix	trans	-134.8	6.1	-170.4	-58.2	-71.9	0	0	0	114.8	L126 W220 L255 S261 K262 L263	L126-W259 HydrophobicContact CD1-CH2 4Å; L126-W259 HydrophobicContact CD1-CZ2 4.39Å; L126-W259 HydrophobicContact CD2-CH2 3.63Å; L126-W259 HydrophobicContact CD2-CZ3 4.17Å; L126-W259 HydrophobicContact CG-CH2 4.49Å; W220-W259 HydrophobicContact CB-CH2 4.04Å; W220-W259 HydrophobicContact CB-CZ2 3.81Å; W220-W259 AromaticContact CD1-CE2 3.4Å; W220-W259 AromaticContact CD1-CZ2 3.54Å; W220-W259 AromaticContact CD1-NE1 3.44Å; W220-W259 HydrophobicContact CD2-CD2 4.01Å; W220-W259 AromaticContact CD2-CE2 3.9Å; W220-W259 HydrophobicContact CD2-CE3 4.02Å; W220-W259 AromaticContact CD2-CH2 3.83Å; W220-W259 HydrophobicContact CD2-CH2 3.83Å; W220-W259 AromaticContact CD2-CZ2 3.82Å; W220-W259 HydrophobicContact CD2-CZ2 3.82Å; W220-W259 AromaticContact CD2-CZ3 3.95Å; W220-W259 HydrophobicContact CD2-CZ3 3.95Å; W220-W259 AromaticContact CE2-CD2 3.57Å; W220-W259 AromaticContact CE2-CE2 3.73Å; W220-W259 AromaticContact CE2-CE3 3.87Å; W220-W259 AromaticContact CE2-CG 3.93Å; W220-W259 HydrophobicContact CE3-CE3 4.22Å; W220-W259 HydrophobicContact CE3-CH2 4.1Å; W220-W259 AromaticContact CE3-CZ3 3.95Å; W220-W259 HydrophobicContact CE3-CZ3 3.95Å; W220-W259 HydrophobicContact CG-CD2 4.32Å; W220-W259 AromaticContact CG-CE2 3.71Å; W220-W259 AromaticContact CG-CH2 3.79Å; W220-W259 HydrophobicContact CG-CH2 3.79Å; W220-W259 AromaticContact CG-CZ2 3.42Å; W220-W259 HydrophobicContact CG-CZ2 3.42Å; W220-W259 VanDerWaalsContact CG-CZ2 3.42Å; W220-W259 HydrophobicContact CG-CZ3 4.39Å; W220-W259 HydrophobicContact CH2-CE3 4.17Å; W220-W259 HydrophobicContact CZ2-CB 4.33Å; W220-W259 AromaticContact CZ2-CD2 3.87Å; W220-W259 HydrophobicContact CZ2-CD2 3.87Å; W220-W259 AromaticContact CZ2-CE3 3.95Å; W220-W259 HydrophobicContact CZ2-CE3 3.95Å; W220-W259 HydrophobicContact CZ2-CG 4.03Å; W220-W259 HydrophobicContact CZ3-CE3 4.31Å; W220-W259 HydrophobicContact CZ3-CZ3 4.3Å; W220-W259 AromaticContact NE1-CD1 3.58Å; W220-W259 AromaticContact NE1-CD2 3.63Å; W220-W259 AromaticContact NE1-CE2 3.4Å; W220-W259 AromaticContact NE1-CG 3.76Å; W220-W259 AromaticContact NE1-CZ2 3.97Å; W220-W259 AromaticContact NE1-NE1 3.35Å; L255-W259 HydrophobicContact CD2-CE3 3.88Å; L255-W259 HydrophobicContact CD2-CZ3 3.84Å; L255-W259 PolarHBondContact O-N 3.49Å; W259-S261 VanDerWaalsContact C-N 3.27Å; W259-S261 PolarHBondContact O-N 2.89Å; W259-S261 VanDerWaalsContact O-N 3.07Å; W259-K262 PolarHBondContact O-N 3.19Å; W259-L263 HydrophobicContact CB-CD1 3.77Å; W259-L263 HydrophobicContact CB-CG 3.94Å; W259-L263 WeakPolarHBondContact O-CG 3.39Å; W259-L263 PolarHBondContact O-N 3.19Å
260	G	83.9	Confident	91.7	Very high	6 Å²	6	22.8 Å²	22.8	6%	0.062	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-51.3	-38.2	-172.2	0	0	0	0	0	115.5	L255 A256 K262 L263	L255-G260 PolarHBondContact O-N 2.91Å; A256-G260 VanDerWaalsContact O-CA 3.26Å; A256-G260 WeakPolarHBondContact O-CA 3.49Å; A256-G260 PolarHBondContact O-N 2.9Å; G260-K262 VanDerWaalsContact C-N 3.29Å; G260-K262 PolarHBondContact O-N 3.05Å; G260-L263 PolarHBondContact O-N 2.86Å
261	S	84.1	Confident	91.8	Very high	95 Å²	95	22.5 Å²	22.5	66%	0.664	12%	0.12	S	C	*	.	G	3₁₀ helix	trans	-75.2	-13.1	178.4	57.4	0	0	0	0	114.9	W259	W259-S261 VanDerWaalsContact C-N 3.27Å; W259-S261 PolarHBondContact O-N 2.89Å; W259-S261 VanDerWaalsContact O-N 3.07Å
262	K	85.4	Confident	91.7	Very high	124 Å²	124	22.7 Å²	22.7	54%	0.539	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-100.4	-13.9	178	-61.5	-178.3	-179	177.4	0	112.7	T227 W259 G260	T227-K262 CarbonylContact C-O 3.53Å; T227-K262 VanDerWaalsContact O-O 3.14Å; W259-K262 PolarHBondContact O-N 3.19Å; G260-K262 VanDerWaalsContact C-N 3.29Å; G260-K262 PolarHBondContact O-N 3.05Å
263	L	88.3	Confident	91.5	Very high	8 Å²	8	23 Å²	23	4%	0.042	12%	0.122	C	C	.	.			trans	-102.2	115.1	-172.3	-65.5	177.2	0	0	0	110.7	W220 T227 V230 W259 G260 V266 L292	W220-L263 HydrophobicContact CZ2-CD1 4.48Å; W220-L263 HydrophobicContact CZ2-CD2 4.08Å; T227-L263 WeakPolarHBondContact O-CD2 3.11Å; V230-L263 HydrophobicContact CB-CD2 4.23Å; V230-L263 HydrophobicContact CG1-CD2 3.66Å; V230-L263 HydrophobicContact CG2-CD1 4.44Å; V230-L263 HydrophobicContact CG2-CD2 3.51Å; W259-L263 HydrophobicContact CB-CD1 3.77Å; W259-L263 HydrophobicContact CB-CG 3.94Å; W259-L263 WeakPolarHBondContact O-CG 3.39Å; W259-L263 PolarHBondContact O-N 3.19Å; G260-L263 PolarHBondContact O-N 2.86Å; L263-V266 HydrophobicContact CB-CG2 4.28Å; L263-V266 HydrophobicContact CD1-CG2 3.84Å; L263-L292 HydrophobicContact CD1-CD1 4.14Å
264	D	86.3	Confident	91.3	Very high	89 Å²	89	24.7 Å²	24.7	48%	0.476	13%	0.129	S	C	.	.	S	Bend	trans	-81.9	-44.6	172.1	-67.6	-37.4	0	0	0	110.8	K228	K228-D264 WeakPolarHBondContact O-CB 3.27Å; K228-D264 PolarHBondContact O-N 3.25Å; K228-D264 VanDerWaalsContact O-N 3.07Å
265	V	92.4	Very high	91	Very high	32 Å²	32	27.3 Å²	27.3	19%	0.194	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	129.1	-176.2	179.7	0	0	0	0	110.6	I166 K228 K229 V230 Q289	I166-V265 HydrophobicContact CD1-CB 4.33Å; I166-V265 HydrophobicContact CD1-CG1 4.05Å; I166-V265 HydrophobicContact CD1-CG2 3.77Å; K228-V265 PolarHBondContact O-N 3.02Å; K229-V265 WeakPolarHBondContact CA-O 3.36Å; K229-V265 HydrophobicContact CG-CB 4.37Å; K229-V265 HydrophobicContact CG-CG1 4.41Å; V230-V265 PolarHBondContact N-O 2.85Å; V265-Q289 HydrophobicContact CG1-CB 3.98Å; V265-Q289 HydrophobicContact CG1-CG 4.11Å
266	V	95	Very high	90.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.3	170.3	-177.9	0	0	0	0	109	V230 V232 L255 L263 V268 Q289 V290 L292	V230-V266 HydrophobicContact CG2-CB 4.47Å; V230-V266 HydrophobicContact CG2-CG1 4.34Å; V230-V266 HydrophobicContact CG2-CG2 4.01Å; V232-V266 HydrophobicContact CG2-CG1 3.81Å; L255-V266 HydrophobicContact CD1-CG1 4.2Å; L263-V266 HydrophobicContact CB-CG2 4.28Å; L263-V266 HydrophobicContact CD1-CG2 3.84Å; V266-V268 HydrophobicContact CG1-CG2 4.1Å; V266-Q289 WeakPolarHBondContact O-CA 3.41Å; V266-V290 HydrophobicContact CB-CG2 4.11Å; V266-V290 PolarHBondContact N-O 3.46Å; V266-V290 PolarHBondContact O-N 3.07Å; V266-L292 HydrophobicContact CG2-CD1 3.64Å; V266-L292 HydrophobicContact CG2-CG 3.88Å
267	E	96.2	Very high	89.7	Confident	3 Å²	3	41.6 Å²	41.6	1%	0.014	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.5	170.2	-169.2	168.8	-83.6	0	0	109.2	Y207 K229 V230 T231 V232 L287 F288 Q289	Y207-E267 VanDerWaalsContact CE1-OE2 3.25Å; Y207-E267 WeakPolarHBondContact CE1-OE2 3.48Å; Y207-E267 PolarHBondContact OH-OE2 2.91Å; K229-E267 VanDerWaalsContact CE-OE1 3.26Å; K229-E267 WeakPolarHBondContact CE-OE1 3.23Å; K229-E267 IonicContact NZ-OE1 2.81Å; K229-E267 PolarHBondContact NZ-OE1 3.45Å; V230-E267 PolarHBondContact O-N 2.7Å; T231-E267 CarbonylContact C-O 3.59Å; T231-E267 WeakPolarHBondContact CA-O 2.97Å; T231-E267 HydrophobicContact CG2-CB 4.03Å; T231-E267 HydrophobicContact CG2-CG 4.07Å; V232-E267 PolarHBondContact N-O 2.82Å; E267-L287 HydrophobicContact CG-CD1 3.82Å; E267-L287 HydrophobicContact CG-CD2 4.28Å; E267-L287 HydrophobicContact CG-CG 3.97Å; E267-F288 CarbonylContact C-O 3.59Å; E267-F288 WeakPolarHBondContact CA-O 3.26Å; E267-Q289 HydrophobicContact CB-CG 4.05Å; E267-Q289 HydrophobicContact CG-CG 3.96Å; E267-Q289 PolarHBondContact OE1-NE2 3.31Å
268	V	97.2	Very high	89.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.6	-175.3	-179.4	0	0	0	0	109.3	V232 V234 L248 L252 V266 L287 F288 V290	V232-V268 HydrophobicContact CG2-CG2 4.08Å; V232-V268 WeakPolarHBondContact O-CA 3.21Å; V234-V268 HydrophobicContact CG1-CG1 4.39Å; L248-V268 HydrophobicContact CD1-CG1 3.72Å; L248-V268 HydrophobicContact CD2-CG1 3.85Å; L248-V268 HydrophobicContact CG-CG1 4.47Å; L252-V268 HydrophobicContact CD2-CG2 4.18Å; V266-V268 HydrophobicContact CG1-CG2 4.1Å; V268-L287 WeakPolarHBondContact O-CA 3.35Å; V268-F288 HydrophobicContact CB-CD1 4.3Å; V268-F288 HydrophobicContact CB-CE1 3.9Å; V268-F288 HydrophobicContact CB-CE2 4.15Å; V268-F288 HydrophobicContact CB-CZ 3.84Å; V268-F288 HydrophobicContact CG1-CE1 3.86Å; V268-F288 HydrophobicContact CG1-CZ 3.86Å; V268-F288 HydrophobicContact CG2-CE2 4.32Å; V268-F288 HydrophobicContact CG2-CZ 4.33Å; V268-F288 PolarHBondContact N-O 2.88Å; V268-F288 PolarHBondContact O-N 3.3Å; V268-F288 VanDerWaalsContact O-N 3.14Å; V268-V290 HydrophobicContact CG2-CG2 4.26Å
269	L	97.2	Very high	89.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	110.7	167.8	177.1	70	0	0	0	109.8	L172 L184 F203 M205 V232 G233 V234 F271 L287	L172-L269 HydrophobicContact CD1-CD1 3.98Å; L184-L269 HydrophobicContact CD1-CD2 3.83Å; L184-L269 HydrophobicContact CD2-CD2 4.22Å; F203-L269 HydrophobicContact CE2-CD2 4.25Å; F203-L269 HydrophobicContact CZ-CD2 4.38Å; M205-L269 HydrophobicContact CE-CD2 4.38Å; M205-L269 HydrophobicContact SD-CD2 3.75Å; V232-L269 PolarHBondContact O-N 3.31Å; G233-L269 CarbonylContact C-O 3.58Å; G233-L269 WeakPolarHBondContact CA-O 3.25Å; V234-L269 PolarHBondContact N-O 3.27Å; L269-F271 HydrophobicContact CD2-CB 4.47Å; L269-F271 HydrophobicContact CG-CB 4.45Å; L269-F271 PolarHBondContact O-N 3.34Å; L269-L287 HydrophobicContact CB-CD1 3.98Å; L269-L287 HydrophobicContact CD1-CD1 4.15Å
270	C	96.9	Very high	89.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	93.1	163.7	-73	0	0	0	0	109.2	V234 D236 P244 R272 S285 V286	V234-C270 HydrophobicContact CG1-CB 4.46Å; D236-C270 HydrophobicContact CB-CB 3.77Å; D236-C270 WeakPolarHBondContact OD2-CB 3.37Å; P244-C270 VanDerWaalsContact CB-SG 3.54Å; C270-R272 PolarHBondContact O-N 3.29Å; C270-S285 WeakPolarHBondContact O-CA 3.34Å; C270-S285 VanDerWaalsContact O-CB 3.28Å; C270-S285 WeakPolarHBondContact O-CB 3.48Å; C270-V286 HydrophobicContact CB-CB 4.1Å; C270-V286 PolarHBondContact N-O 2.74Å; C270-V286 PolarHBondContact O-N 3.34Å; C270-V286 VanDerWaalsContact O-N 3.08Å
271	F	95.9	Very high	89.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	117.7	-177.7	-178.1	-104.6	0	0	0	110.4	N57 L184 Y188 F203 V234 Y235 D236 L269 D273 I282	N57-F271 PolarHBondContact ND2-O 3.02Å; L184-F271 HydrophobicContact CD2-CD2 3.79Å; L184-F271 HydrophobicContact CD2-CE2 3.62Å; Y188-F271 AromaticContact CD1-CE1 3.72Å; Y188-F271 HydrophobicContact CD1-CE1 3.72Å; Y188-F271 AromaticContact CD1-CZ 3.76Å; Y188-F271 HydrophobicContact CD1-CZ 3.76Å; Y188-F271 HydrophobicContact CD2-CD1 4.44Å; Y188-F271 HydrophobicContact CD2-CE1 4.19Å; Y188-F271 HydrophobicContact CD2-CZ 4.4Å; Y188-F271 HydrophobicContact CE1-CD1 4.44Å; Y188-F271 AromaticContact CE1-CE1 3.62Å; Y188-F271 HydrophobicContact CE1-CE1 3.62Å; Y188-F271 HydrophobicContact CE1-CZ 4.15Å; Y188-F271 HydrophobicContact CE2-CD1 4.2Å; Y188-F271 HydrophobicContact CE2-CE1 4.11Å; Y188-F271 HydrophobicContact CG-CE1 4Å; Y188-F271 HydrophobicContact CG-CE2 4.48Å; Y188-F271 AromaticContact CG-CZ 3.89Å; Y188-F271 HydrophobicContact CG-CZ 3.89Å; Y188-F271 AromaticContact CZ-CE1 3.83Å; F203-F271 HydrophobicContact CE1-CB 4.25Å; F203-F271 HydrophobicContact CZ-CB 3.81Å; F203-F271 HydrophobicContact CZ-CG 4.12Å; V234-F271 WeakPolarHBondContact O-CB 3.25Å; V234-F271 PolarHBondContact O-N 3.26Å; Y235-F271 HydrophobicContact CD2-CD1 4.27Å; D236-F271 PolarHBondContact N-O 3.08Å; L269-F271 HydrophobicContact CD2-CB 4.47Å; L269-F271 HydrophobicContact CG-CB 4.45Å; L269-F271 PolarHBondContact O-N 3.34Å; F271-D273 HydrophobicContact CD1-CB 4.41Å; F271-D273 HydrophobicContact CE1-CB 3.68Å; F271-D273 HydrophobicContact CZ-CB 3.93Å; F271-I282 HydrophobicContact CE2-CB 4.2Å; F271-I282 HydrophobicContact CE2-CD1 4.02Å; F271-I282 HydrophobicContact CE2-CG2 3.77Å; F271-I282 HydrophobicContact CZ-CG2 3.91Å
272	R	93.6	Very high	90	Very high	3 Å²	3	45 Å²	45	1%	0.011	24%	0.242	C	C	.	.			trans	-126.1	117.2	-177.4	-62	172.5	-176.1	-177.4	-7.9	108.5	D236 C238 L240 H243 C270 I282 H284 S285	D236-R272 HydrophobicContact CB-CG 4.16Å; D236-R272 IonicContact OD2-CZ 3.29Å; D236-R272 VanDerWaalsContact OD2-CZ 3.29Å; D236-R272 IonicContact OD2-NE 2.93Å; D236-R272 PolarHBondContact OD2-NE 3.21Å; D236-R272 IonicContact OD2-NH2 2.79Å; D236-R272 PolarHBondContact OD2-NH2 2.82Å; C238-R272 WeakPolarHBondContact O-CD 3.45Å; C238-R272 VanDerWaalsContact O-CZ 3.3Å; C238-R272 PolarHBondContact O-NE 2.85Å; L240-R272 VanDerWaalsContact C-NH1 3.33Å; L240-R272 PolarHBondContact O-NH1 3.39Å; L240-R272 PolarHBondContact O-NH2 3.32Å; H243-R272 PolarHBondContact O-NH2 2.9Å; C270-R272 PolarHBondContact O-N 3.29Å; R272-I282 WeakPolarHBondContact O-CA 3.37Å; R272-H284 VanDerWaalsContact CB-NE2 3.31Å; R272-H284 WeakPolarHBondContact CB-NE2 3.43Å; R272-H284 PolarHBondContact O-CE1 2.9Å; R272-H284 PolarHBondContact O-NE2 2.73Å; R272-S285 PolarHBondContact N-OG 3.2Å; R272-S285 PolarHBondContact O-OG 3.06Å
273	D	91.7	Very high	90.4	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.037	23%	0.234	C	C	.	.			trans	-122.1	94.3	-167.7	-176.5	7.7	0	0	0	110.5	N57 G58 F271 R280 I282	N57-D273 PolarHBondContact ND2-N 3.09Å; N57-D273 PolarHBondContact OD1-O 3.19Å; G58-D273 WeakPolarHBondContact CA-O 3.22Å; F271-D273 HydrophobicContact CD1-CB 4.41Å; F271-D273 HydrophobicContact CE1-CB 3.68Å; F271-D273 HydrophobicContact CZ-CB 3.93Å; D273-R280 WeakPolarHBondContact OD1-CD 3.24Å; D273-R280 WeakPolarHBondContact OD1-CG 3.38Å; D273-R280 IonicContact OD1-CZ 2.81Å; D273-R280 IonicContact OD1-NE 3.97Å; D273-R280 PolarHBondContact OD1-NE 2.93Å; D273-R280 IonicContact OD1-NH2 2.66Å; D273-R280 IonicContact OD2-CZ 3.76Å; D273-R280 IonicContact OD2-NE 3.9Å; D273-R280 PolarHBondContact OD2-NE 3.28Å; D273-R280 IonicContact OD2-NH2 3.19Å; D273-R280 PolarHBondContact OD2-NH2 3.28Å; D273-I282 HydrophobicContact CB-CG2 4.11Å
274	R	88.4	Confident	90.5	Very high	36 Å²	36	44.3 Å²	44.3	14%	0.136	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	140.6	-176	-69.5	177.3	-178.2	148.9	3.3	110.4	D59 R280 S281 H284	D59-R274 PolarHBondContact O-NE 3.23Å; R274-R280 CarbonylContact O-C 3.51Å; R274-R280 VanDerWaalsContact O-CA 3.28Å; R274-R280 WeakPolarHBondContact O-CA 3.35Å; R274-S281 PolarHBondContact N-O 3.43Å; R274-S281 VanDerWaalsContact N-O 3.15Å; R274-S281 PolarHBondContact O-N 3.26Å; R274-H284 VanDerWaalsContact CD-CE1 3.43Å; R274-H284 WeakPolarHBondContact CD-CE1 3.42Å; R274-H284 WeakPolarHBondContact CD-NE2 3.4Å; R274-H284 VanDerWaalsContact CG-CE1 3.44Å; R274-H284 WeakPolarHBondContact CG-CE1 3.24Å; R274-H284 VanDerWaalsContact CG-NE2 3.33Å; R274-H284 WeakPolarHBondContact CG-NE2 3.41Å; R274-H284 VanDerWaalsContact CZ-CD2 3.44Å; R274-H284 PolarHBondContact NE-NE2 2.64Å; R274-H284 PolarHBondContact NH1-CD2 2.85Å
275	T	86.3	Confident	91	Very high	55 Å²	55	40.1 Å²	40.1	34%	0.337	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.2	168.2	-54.4	0	0	0	0	108.8	R83 N279	R83-T275 PolarHBondContact NH1-OG1 2.92Å; T275-N279 CarbonylContact C-O 3.58Å; T275-N279 WeakPolarHBondContact CA-O 3.13Å
276	L	77.8	Confident	91.1	Very high	116 Å²	116	38.6 Å²	38.6	61%	0.607	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.8	179.8	-167.5	138	0	0	0	109.5	G278 N279	L276-G278 PolarHBondContact O-N 3.18Å; L276-G278 VanDerWaalsContact O-N 3.15Å; L276-N279 PolarHBondContact N-O 3.11Å; L276-N279 PolarHBondContact O-N 3.06Å
277	Q	79.9	Confident	91.1	Very high	186 Å²	186	38.9 Å²	38.9	87%	0.869	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	35.1	-177.5	-62.8	176.5	-12.1	0	0	113.9	N279	Q277-N279 VanDerWaalsContact C-N 3.27Å; Q277-N279 PolarHBondContact O-N 3.03Å
278	G	81.6	Confident	91.1	Very high	66 Å²	66	38.7 Å²	38.7	68%	0.68	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.3	-9.6	-177.6	0	0	0	0	0	114.9	L276	L276-G278 PolarHBondContact O-N 3.18Å; L276-G278 VanDerWaalsContact O-N 3.15Å
279	N	84.9	Confident	91	Very high	124 Å²	124	40.1 Å²	40.1	66%	0.663	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	118	176.7	-69.1	-21.5	0	0	0	110.7	T275 L276 Q277	T275-N279 CarbonylContact C-O 3.58Å; T275-N279 WeakPolarHBondContact CA-O 3.13Å; L276-N279 PolarHBondContact N-O 3.11Å; L276-N279 PolarHBondContact O-N 3.06Å; Q277-N279 VanDerWaalsContact C-N 3.27Å; Q277-N279 PolarHBondContact O-N 3.03Å
280	R	90.5	Very high	90.9	Very high	60 Å²	60	40.1 Å²	40.1	23%	0.226	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	132.5	171.6	-173	-176.8	176.6	-156.9	3.9	109.6	D189 D273 R274	D189-R280 IonicContact OD1-CZ 3.93Å; D189-R280 IonicContact OD1-NH1 2.7Å; D189-R280 PolarHBondContact OD1-NH1 3.33Å; D189-R280 IonicContact OD1-NH2 3.34Å; D189-R280 PolarHBondContact OD1-NH2 2.86Å; D189-R280 IonicContact OD2-CZ 2.79Å; D189-R280 IonicContact OD2-NH1 2.78Å; D189-R280 PolarHBondContact OD2-NH1 3.27Å; D189-R280 IonicContact OD2-NH2 3.74Å; D273-R280 WeakPolarHBondContact OD1-CD 3.24Å; D273-R280 WeakPolarHBondContact OD1-CG 3.38Å; D273-R280 IonicContact OD1-CZ 2.81Å; D273-R280 IonicContact OD1-NE 3.97Å; D273-R280 PolarHBondContact OD1-NE 2.93Å; D273-R280 IonicContact OD1-NH2 2.66Å; D273-R280 IonicContact OD2-CZ 3.76Å; D273-R280 IonicContact OD2-NE 3.9Å; D273-R280 PolarHBondContact OD2-NE 3.28Å; D273-R280 IonicContact OD2-NH2 3.19Å; D273-R280 PolarHBondContact OD2-NH2 3.28Å; R274-R280 CarbonylContact O-C 3.51Å; R274-R280 VanDerWaalsContact O-CA 3.28Å; R274-R280 WeakPolarHBondContact O-CA 3.35Å
281	S	91.6	Very high	90.6	Very high	34 Å²	34	46 Å²	46	24%	0.238	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	139.2	175.3	173.8	0	0	0	0	110.7	R274 Q283 H284	R274-S281 PolarHBondContact N-O 3.43Å; R274-S281 VanDerWaalsContact N-O 3.15Å; R274-S281 PolarHBondContact O-N 3.26Å; S281-Q283 PolarHBondContact OG-N 3.18Å; S281-Q283 PolarHBondContact OG-OE1 3.25Å; S281-H284 PolarHBondContact O-CE1 3.05Å
282	I	94	Very high	90.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.244	C	C	.	.			trans	-115.8	3.6	175.3	65.1	166.9	0	0	0	112.5	L172 I181 L184 Q185 F271 R272 D273 H284 S285	L172-I282 HydrophobicContact CD2-CD1 4.42Å; I181-I282 HydrophobicContact CG2-CD1 3.95Å; I181-I282 HydrophobicContact CG2-CG1 3.61Å; L184-I282 HydrophobicContact CB-CD1 4.26Å; L184-I282 HydrophobicContact CD2-CD1 3.56Å; L184-I282 HydrophobicContact CG-CD1 4.42Å; Q185-I282 HydrophobicContact CB-CD1 3.98Å; F271-I282 HydrophobicContact CE2-CB 4.2Å; F271-I282 HydrophobicContact CE2-CD1 4.02Å; F271-I282 HydrophobicContact CE2-CG2 3.77Å; F271-I282 HydrophobicContact CZ-CG2 3.91Å; R272-I282 WeakPolarHBondContact O-CA 3.37Å; D273-I282 HydrophobicContact CB-CG2 4.11Å; I282-H284 PolarHBondContact O-N 3.31Å; I282-H284 VanDerWaalsContact O-N 3.09Å; I282-S285 WeakPolarHBondContact O-CB 3.5Å; I282-S285 PolarHBondContact O-N 3.31Å; I282-S285 PolarHBondContact O-OG 3.3Å
283	Q	92.4	Very high	89.9	Confident	80 Å²	80	48.6 Å²	48.6	37%	0.374	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.7	-174.4	-73.2	163.5	-30.5	0	0	113.4	I171 L172 E173 I181 S281 S285	I171-Q283 WeakPolarHBondContact CG2-O 3.27Å; L172-Q283 WeakPolarHBondContact CB-O 3.41Å; L172-Q283 PolarHBondContact N-O 3.29Å; E173-Q283 HydrophobicContact CB-CB 4.2Å; E173-Q283 PolarHBondContact N-O 2.79Å; I181-Q283 HydrophobicContact CD1-CG 3.96Å; I181-Q283 HydrophobicContact CG2-CG 4.3Å; S281-Q283 PolarHBondContact OG-N 3.18Å; S281-Q283 PolarHBondContact OG-OE1 3.25Å; Q283-S285 VanDerWaalsContact C-N 3.29Å; Q283-S285 PolarHBondContact O-N 3.04Å
284	H	91.6	Very high	89.4	Confident	39 Å²	39	55.1 Å²	55.1	18%	0.181	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	5.8	180	65.6	-83.3	0	0	0	113.6	R272 R274 S281 I282	R272-H284 VanDerWaalsContact CB-NE2 3.31Å; R272-H284 WeakPolarHBondContact CB-NE2 3.43Å; R272-H284 PolarHBondContact O-CE1 2.9Å; R272-H284 PolarHBondContact O-NE2 2.73Å; R274-H284 VanDerWaalsContact CD-CE1 3.43Å; R274-H284 WeakPolarHBondContact CD-CE1 3.42Å; R274-H284 WeakPolarHBondContact CD-NE2 3.4Å; R274-H284 VanDerWaalsContact CG-CE1 3.44Å; R274-H284 WeakPolarHBondContact CG-CE1 3.24Å; R274-H284 VanDerWaalsContact CG-NE2 3.33Å; R274-H284 WeakPolarHBondContact CG-NE2 3.41Å; R274-H284 VanDerWaalsContact CZ-CD2 3.44Å; R274-H284 PolarHBondContact NE-NE2 2.64Å; R274-H284 PolarHBondContact NH1-CD2 2.85Å; S281-H284 PolarHBondContact O-CE1 3.05Å; I282-H284 PolarHBondContact O-N 3.31Å; I282-H284 VanDerWaalsContact O-N 3.09Å
285	S	95.1	Very high	89.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.			trans	-58.2	157.5	167	-64.9	0	0	0	0	109.9	L172 C270 R272 I282 Q283	L172-S285 WeakPolarHBondContact CB-O 3.48Å; L172-S285 PolarHBondContact N-O 3.09Å; C270-S285 WeakPolarHBondContact O-CA 3.34Å; C270-S285 VanDerWaalsContact O-CB 3.28Å; C270-S285 WeakPolarHBondContact O-CB 3.48Å; R272-S285 PolarHBondContact N-OG 3.2Å; R272-S285 PolarHBondContact O-OG 3.06Å; I282-S285 WeakPolarHBondContact O-CB 3.5Å; I282-S285 PolarHBondContact O-N 3.31Å; I282-S285 PolarHBondContact O-OG 3.3Å; Q283-S285 VanDerWaalsContact C-N 3.29Å; Q283-S285 PolarHBondContact O-N 3.04Å
286	V	94.9	Very high	88.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.6	-172.8	173.7	0	0	0	0	110	P169 V170 S241 C270 F288	P169-V286 HydrophobicContact CB-CG1 3.59Å; V170-V286 WeakPolarHBondContact O-CA 3.39Å; S241-V286 WeakPolarHBondContact O-CG2 3.45Å; C270-V286 HydrophobicContact CB-CB 4.1Å; C270-V286 PolarHBondContact N-O 2.74Å; C270-V286 PolarHBondContact O-N 3.34Å; C270-V286 VanDerWaalsContact O-N 3.08Å; V286-F288 HydrophobicContact CG1-CD1 4.29Å
287	L	95.9	Very high	88	Confident	6 Å²	6	56.9 Å²	56.9	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.8	176.8	-163.9	75.7	0	0	0	109.7	V170 V175 F176 E267 V268 L269	V170-L287 PolarHBondContact N-O 3.07Å; V170-L287 PolarHBondContact O-N 3.22Å; V175-L287 HydrophobicContact CG1-CD2 4.09Å; F176-L287 HydrophobicContact CE1-CD2 4.14Å; E267-L287 HydrophobicContact CG-CD1 3.82Å; E267-L287 HydrophobicContact CG-CD2 4.28Å; E267-L287 HydrophobicContact CG-CG 3.97Å; V268-L287 WeakPolarHBondContact O-CA 3.35Å; L269-L287 HydrophobicContact CB-CD1 3.98Å; L269-L287 HydrophobicContact CD1-CD1 4.15Å
288	F	95.5	Very high	87.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	167.2	173.8	61.9	-80.5	0	0	0	111.4	L17 Q167 P169 P244 L248 E267 V268 V286 V290	L17-F288 HydrophobicContact CD1-CD2 4.31Å; L17-F288 HydrophobicContact CD1-CE2 3.65Å; L17-F288 HydrophobicContact CD1-CZ 4.05Å; L17-F288 HydrophobicContact CD2-CE2 3.99Å; L17-F288 HydrophobicContact CD2-CZ 4.44Å; Q167-F288 WeakPolarHBondContact O-CB 3.2Å; P169-F288 HydrophobicContact CG-CB 4.24Å; P169-F288 HydrophobicContact CG-CD1 4.48Å; P169-F288 HydrophobicContact CG-CG 4.38Å; P244-F288 HydrophobicContact CB-CE1 4.22Å; P244-F288 HydrophobicContact CB-CZ 4.15Å; P244-F288 HydrophobicContact CG-CE1 4.42Å; P244-F288 HydrophobicContact CG-CZ 4.01Å; L248-F288 HydrophobicContact CD2-CE1 4.35Å; L248-F288 HydrophobicContact CD2-CE2 4.48Å; L248-F288 HydrophobicContact CD2-CZ 3.57Å; E267-F288 CarbonylContact C-O 3.59Å; E267-F288 WeakPolarHBondContact CA-O 3.26Å; V268-F288 HydrophobicContact CB-CD1 4.3Å; V268-F288 HydrophobicContact CB-CE1 3.9Å; V268-F288 HydrophobicContact CB-CE2 4.15Å; V268-F288 HydrophobicContact CB-CZ 3.84Å; V268-F288 HydrophobicContact CG1-CE1 3.86Å; V268-F288 HydrophobicContact CG1-CZ 3.86Å; V268-F288 HydrophobicContact CG2-CE2 4.32Å; V268-F288 HydrophobicContact CG2-CZ 4.33Å; V268-F288 PolarHBondContact N-O 2.88Å; V268-F288 PolarHBondContact O-N 3.3Å; V268-F288 VanDerWaalsContact O-N 3.14Å; V286-F288 HydrophobicContact CG1-CD1 4.29Å; F288-V290 HydrophobicContact CD2-CG1 3.64Å; F288-V290 HydrophobicContact CE2-CG1 3.55Å
289	Q	95.4	Very high	86.4	Confident	30 Å²	30	53.6 Å²	53.6	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.5	-179.8	-65.7	175.1	6	0	0	111.1	I166 Q167 K229 V265 V266 E267	I166-Q289 HydrophobicContact CB-CB 4.11Å; I166-Q289 PolarHBondContact N-O 3.29Å; Q167-Q289 HydrophobicContact CB-CB 3.86Å; Q167-Q289 HydrophobicContact CB-CG 4.16Å; Q167-Q289 PolarHBondContact N-O 2.96Å; Q167-Q289 PolarHBondContact O-N 3.39Å; Q167-Q289 VanDerWaalsContact OE1-CD 3.3Å; K229-Q289 VanDerWaalsContact NZ-NE2 3.18Å; V265-Q289 HydrophobicContact CG1-CB 3.98Å; V265-Q289 HydrophobicContact CG1-CG 4.11Å; V266-Q289 WeakPolarHBondContact O-CA 3.41Å; E267-Q289 HydrophobicContact CB-CG 4.05Å; E267-Q289 HydrophobicContact CG-CG 3.96Å; E267-Q289 PolarHBondContact OE1-NE2 3.31Å
290	V	94.2	Very high	86	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.1	178.8	-63.5	0	0	0	0	111.3	L17 L252 V266 V268 F288 L292	L17-V290 HydrophobicContact CD2-CG1 4.2Å; L252-V290 HydrophobicContact CD2-CG2 4.33Å; V266-V290 HydrophobicContact CB-CG2 4.11Å; V266-V290 PolarHBondContact N-O 3.46Å; V266-V290 PolarHBondContact O-N 3.07Å; V268-V290 HydrophobicContact CG2-CG2 4.26Å; F288-V290 HydrophobicContact CD2-CG1 3.64Å; F288-V290 HydrophobicContact CE2-CG1 3.55Å; V290-L292 HydrophobicContact CG2-CD2 4.35Å
291	K	90.8	Very high	85.5	Confident	122 Å²	122	53.1 Å²	53.1	53%	0.53	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.5	166.3	-166.6	163.7	-177.1	169.3	0	109.5	K164 I166	K164-K291 PolarHBondContact O-N 3.13Å; I166-K291 HydrophobicContact CD1-CB 3.99Å; I166-K291 HydrophobicContact CG1-CB 4.23Å
292	L	90.3	Very high	85.2	Confident	9 Å²	9	52.5 Å²	52.5	5%	0.047	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-85.5	140	175.2	-64.4	-176.8	0	0	0	110.4	L163 L252 L255 A256 L263 V266 V290	L163-L292 HydrophobicContact CD2-CD2 4.33Å; L252-L292 HydrophobicContact CB-CD2 4.21Å; L252-L292 HydrophobicContact CD2-CD2 4.16Å; L255-L292 HydrophobicContact CB-CD1 3.65Å; A256-L292 HydrophobicContact CB-CB 4.17Å; A256-L292 HydrophobicContact CB-CD1 4.16Å; L263-L292 HydrophobicContact CD1-CD1 4.14Å; V266-L292 HydrophobicContact CG2-CD1 3.64Å; V266-L292 HydrophobicContact CG2-CG 3.88Å; V290-L292 HydrophobicContact CG2-CD2 4.35Å
293	P	86	Confident	85	Confident	49 Å²	49	60.4 Å²	60.4	32%	0.318	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-76.2	152.3	171.5	31.9	-34.3	0	0	0	110.4	F159 L163 L295	F159-P293 HydrophobicContact CD1-CG 3.39Å; F159-P293 HydrophobicContact CE1-CG 3.62Å; F159-P293 HydrophobicContact CG-CG 4.2Å; L163-P293 HydrophobicContact CD2-CG 4.1Å; P293-L295 PolarHBondContact O-N 3.37Å
294	E	81	Confident	85	Confident	144 Å²	144	57.5 Å²	57.5	67%	0.673	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-73.9	124.4	171.1	-67.4	-172.7	168.4	0	0	110.4
295	L	82.3	Confident	85.1	Confident	20 Å²	20	58 Å²	58	11%	0.105	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-101	121.9	175	-70.6	175.2	0	0	0	109.9	F159 A256 K257 P293 L302	F159-L295 HydrophobicContact CD1-CD2 4.42Å; F159-L295 HydrophobicContact CE1-CD1 4.02Å; F159-L295 HydrophobicContact CE1-CG 4.42Å; A256-L295 HydrophobicContact CB-CD1 3.85Å; A256-L295 HydrophobicContact CB-CG 4.28Å; K257-L295 HydrophobicContact CB-CD1 4.24Å; K257-L295 HydrophobicContact CD-CB 4.36Å; P293-L295 PolarHBondContact O-N 3.37Å; L295-L302 HydrophobicContact CD1-CD1 4.28Å; L295-L302 HydrophobicContact CD2-CD2 4.31Å
296	P	74.1	Confident	85.1	Confident	88 Å²	88	58.6 Å²	58.6	57%	0.571	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-54.6	147.8	179.2	-24.7	30.2	0	0	0	113.5	K257 N298 S299	K257-P296 PolarHBondContact NZ-O 3.32Å; P296-N298 VanDerWaalsContact C-N 3.3Å; P296-N298 PolarHBondContact O-N 2.85Å; P296-S299 WeakPolarHBondContact CB-OG 3.39Å; P296-S299 VanDerWaalsContact CD-OG 3.26Å; P296-S299 WeakPolarHBondContact CD-OG 3.43Å; P296-S299 WeakPolarHBondContact O-CB 3.38Å; P296-S299 PolarHBondContact O-N 2.81Å; P296-S299 PolarHBondContact O-OG 3.07Å
297	N	65.1	Low	85.1	Confident	136 Å²	136	60 Å²	60	73%	0.727	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-36.5	179.8	-83.5	-13.1	0	0	0	113.3	K257 S299	K257-N297 VanDerWaalsContact NZ-CA 3.26Å; K257-N297 PolarHBondContact NZ-O 2.91Å; N297-S299 VanDerWaalsContact C-N 3.34Å; N297-S299 PolarHBondContact O-N 2.83Å
298	N	61.3	Low	85.1	Confident	162 Å²	162	60.4 Å²	60.4	87%	0.866	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	26.5	177.3	-70.1	-5.5	0	0	0	114.3	P296 V300	P296-N298 VanDerWaalsContact C-N 3.3Å; P296-N298 PolarHBondContact O-N 2.85Å; N298-V300 PolarHBondContact O-N 2.85Å
299	S	67.4	Low	85	Confident	22 Å²	22	66.4 Å²	66.4	15%	0.154	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-64.3	129.9	-178.9	-63.1	0	0	0	0	112.1	P296 N297	P296-S299 WeakPolarHBondContact CB-OG 3.39Å; P296-S299 VanDerWaalsContact CD-OG 3.26Å; P296-S299 WeakPolarHBondContact CD-OG 3.43Å; P296-S299 WeakPolarHBondContact O-CB 3.38Å; P296-S299 PolarHBondContact O-N 2.81Å; P296-S299 PolarHBondContact O-OG 3.07Å; N297-S299 VanDerWaalsContact C-N 3.34Å; N297-S299 PolarHBondContact O-N 2.83Å
300	V	77.6	Confident	84.8	Confident	129 Å²	129	66.5 Å²	66.5	78%	0.782	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-62.2	155.1	164.3	-177.3	0	0	0	0	109	N298 L302	N298-V300 PolarHBondContact O-N 2.85Å; V300-L302 PolarHBondContact O-N 3.13Å
301	C	79.8	Confident	84.4	Confident	45 Å²	45	72 Å²	72	30%	0.304	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-49	129.6	175	-172.7	0	0	0	0	110.7	W117	W117-C301 HydrophobicContact CG-CB 4.13Å
302	L	83.9	Confident	84.3	Confident	20 Å²	20	75.6 Å²	75.6	11%	0.105	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-64.8	156.5	-179	-70.7	172.7	0	0	0	111.3	W117 L157 P160 V253 L295 V300 S304	W117-L302 HydrophobicContact CH2-CD1 4.36Å; W117-L302 HydrophobicContact CH2-CG 4.27Å; W117-L302 HydrophobicContact CZ3-CD1 3.89Å; W117-L302 HydrophobicContact CZ3-CG 4.09Å; L157-L302 HydrophobicContact CB-CB 4.37Å; L157-L302 HydrophobicContact CB-CD1 4.5Å; L157-L302 HydrophobicContact CD2-CB 4.41Å; P160-L302 HydrophobicContact CG-CD2 4.32Å; V253-L302 HydrophobicContact CG1-CD1 3.7Å; V253-L302 HydrophobicContact CG2-CD1 4.15Å; L295-L302 HydrophobicContact CD1-CD1 4.28Å; L295-L302 HydrophobicContact CD2-CD2 4.31Å; V300-L302 PolarHBondContact O-N 3.13Å; L302-S304 PolarHBondContact O-N 3.46Å
303	K	90.4	Very high	84.2	Confident	168 Å²	168	77.4 Å²	77.4	73%	0.73	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-57.5	136.6	172.8	-175.2	179.5	179.3	179.6	0	109.6	C158	C158-K303 VanDerWaalsContact CB-O 3.29Å; C158-K303 WeakPolarHBondContact CB-O 3.33Å; C158-K303 PolarHBondContact N-O 3.49Å
304	S	92.8	Very high	84.4	Confident	18 Å²	18	77.4 Å²	77.4	13%	0.126	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	152.3	-179.5	58.4	0	0	0	0	112.9	L109 A113 A156 L302	L109-S304 WeakPolarHBondContact CG-OG 3.44Å; A113-S304 VanDerWaalsContact CB-CB 3.47Å; A156-S304 VanDerWaalsContact O-CA 3.3Å; A156-S304 WeakPolarHBondContact O-CA 3.45Å; L302-S304 PolarHBondContact O-N 3.46Å
305	V	94.3	Very high	84.8	Confident	51 Å²	51	76 Å²	76	31%	0.309	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	166.1	171.6	-60.2	0	0	0	0	108.9	A156 C158 W246	A156-V305 HydrophobicContact CB-CG2 4.49Å; A156-V305 PolarHBondContact N-O 2.94Å; A156-V305 PolarHBondContact O-N 3.03Å; C158-V305 VanDerWaalsContact SG-CG2 3.54Å; W246-V305 HydrophobicContact CH2-CG2 4.02Å; W246-V305 HydrophobicContact CZ2-CG2 4.16Å
306	G	94.1	Very high	85.3	Confident	11 Å²	11	75.4 Å²	75.4	11%	0.113	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	-15.4	174.9	0	0	0	0	0	117.1	C153 F154 E308	C153-G306 CarbonylContact C-O 3.25Å; C153-G306 WeakPolarHBondContact CA-O 3.31Å; F154-G306 PolarHBondContact N-O 3.31Å; F154-G306 WeakPolarHBondContact O-CA 3.33Å; G306-E308 PolarHBondContact O-N 3.46Å
307	W	95.7	Very high	86.2	Confident	31 Å²	31	73.8 Å²	73.8	12%	0.117	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	127.6	-179.2	-75.3	106.7	0	0	0	111.5	K105 L138 W151 C153 M315	K105-W307 HydrophobicContact CB-CH2 4.36Å; K105-W307 HydrophobicContact CB-CZ2 3.6Å; K105-W307 HydrophobicContact CG-CH2 4.37Å; K105-W307 HydrophobicContact CG-CZ2 4.09Å; K105-W307 VanDerWaalsContact O-CZ2 3.31Å; K105-W307 WeakPolarHBondContact O-CZ2 3.49Å; K105-W307 PolarHBondContact O-NE1 3.35Å; L138-W307 HydrophobicContact CB-CH2 4.28Å; L138-W307 HydrophobicContact CB-CZ3 4.49Å; W151-W307 HydrophobicContact CB-CE3 4.22Å; W151-W307 HydrophobicContact CB-CZ3 3.82Å; W151-W307 AromaticContact CD1-CE3 3.59Å; W151-W307 HydrophobicContact CD2-CD2 4.35Å; W151-W307 AromaticContact CD2-CE3 3.53Å; W151-W307 HydrophobicContact CD2-CE3 3.53Å; W151-W307 AromaticContact CD2-CZ3 3.85Å; W151-W307 HydrophobicContact CD2-CZ3 3.85Å; W151-W307 AromaticContact CE2-CE3 3.62Å; W151-W307 HydrophobicContact CE3-CE3 4.22Å; W151-W307 HydrophobicContact CE3-CZ3 4.31Å; W151-W307 AromaticContact CG-CE3 3.51Å; W151-W307 HydrophobicContact CG-CE3 3.51Å; W151-W307 AromaticContact CG-CZ3 3.63Å; W151-W307 HydrophobicContact CG-CZ3 3.63Å; W151-W307 HydrophobicContact CZ2-CB 4.06Å; W151-W307 HydrophobicContact CZ2-CD2 4.44Å; W151-W307 HydrophobicContact CZ2-CE3 4.33Å; W151-W307 HydrophobicContact CZ2-CG 4.36Å; W151-W307 AromaticContact NE1-CE3 3.64Å; C153-W307 HydrophobicContact CB-CD2 3.71Å; C153-W307 HydrophobicContact CB-CE3 3.68Å; C153-W307 HydrophobicContact CB-CG 4.3Å; C153-W307 HydrophobicContact CB-CH2 4.1Å; C153-W307 HydrophobicContact CB-CZ2 4.12Å; C153-W307 HydrophobicContact CB-CZ3 3.88Å; C153-W307 PolarHBondContact SG-N 3.01Å; C153-W307 VanDerWaalsContact SG-N 3.41Å; W307-M315 HydrophobicContact CB-CE 3.47Å; W307-M315 VanDerWaalsContact CB-CE 3.47Å; W307-M315 WeakPolarHBondContact O-CE 3.33Å
308	E	95.4	Very high	87.6	Confident	13 Å²	13	69.6 Å²	69.6	6%	0.061	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-70.3	144.1	-177.3	-165.9	-172.3	-169.8	0	0	110.7	S23 S24 W151 F152 F154 G306 R318	S23-E308 WeakPolarHBondContact CA-OE1 3.26Å; S24-E308 WeakPolarHBondContact CB-OE2 3.42Å; S24-E308 PolarHBondContact N-OE1 3.41Å; S24-E308 VanDerWaalsContact OG-CD 3.3Å; S24-E308 PolarHBondContact OG-OE1 3.13Å; S24-E308 PolarHBondContact OG-OE2 3.49Å; W151-E308 PolarHBondContact NE1-O 3.09Å; F152-E308 HydrophobicContact CB-CB 4.17Å; F152-E308 WeakPolarHBondContact O-CB 3.35Å; F152-E308 PolarHBondContact O-N 2.8Å; F154-E308 HydrophobicContact CE2-CB 4.37Å; F154-E308 HydrophobicContact CE2-CG 4.45Å; G306-E308 PolarHBondContact O-N 3.46Å; E308-R318 VanDerWaalsContact CD-CZ 3.49Å; E308-R318 VanDerWaalsContact CD-NH2 3.27Å; E308-R318 IonicContact OE1-CZ 2.94Å; E308-R318 IonicContact OE1-NE 3.09Å; E308-R318 IonicContact OE1-NH1 3.82Å; E308-R318 PolarHBondContact OE1-NH1 3.36Å; E308-R318 IonicContact OE1-NH2 3.84Å; E308-R318 PolarHBondContact OE1-NH2 2.84Å; E308-R318 IonicContact OE2-CZ 2.74Å; E308-R318 IonicContact OE2-NE 3.71Å; E308-R318 IonicContact OE2-NH1 2.85Å; E308-R318 IonicContact OE2-NH2 3.35Å
309	K	92.9	Very high	89.2	Confident	127 Å²	127	66.5 Å²	66.5	55%	0.552	37%	0.366	S	S	*	.	B	Isolated β-bridge	trans	-78.4	146.4	171.4	-68.5	175.2	176.3	-174.4	0	110.6	G313 A314 M315 R318	K309-G313 WeakPolarHBondContact CD-O 3.25Å; K309-A314 WeakPolarHBondContact CA-O 3.49Å; K309-M315 HydrophobicContact CG-SD 3.72Å; K309-R318 PolarHBondContact O-NE 3.24Å; K309-R318 PolarHBondContact O-NH2 2.9Å
310	N	91.6	Very high	90.4	Very high	32 Å²	32	67.3 Å²	67.3	17%	0.171	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-71.6	170.6	171	71.4	16.3	0	0	0	111	K312 G313 A314 R318	N310-K312 PolarHBondContact O-N 2.63Å; N310-K312 WeakPolarHBondContact OD1-CA 3.49Å; N310-K312 WeakPolarHBondContact OD1-CB 3.43Å; N310-K312 PolarHBondContact OD1-N 3.05Å; N310-G313 PolarHBondContact O-N 3.44Å; N310-G313 PolarHBondContact OD1-N 2.94Å; N310-A314 PolarHBondContact N-O 3.2Å; N310-A314 PolarHBondContact OD1-N 2.78Å; N310-A314 PolarHBondContact OD1-O 3.23Å; N310-R318 HydrophobicContact CB-CG 4.49Å
311	P	85.5	Confident	91.1	Very high	116 Å²	116	64.7 Å²	64.7	75%	0.753	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.7	178.3	-27.7	36.3	0	0	0	114.9	G313	P311-G313 VanDerWaalsContact C-N 3.29Å
312	K	88.6	Confident	91.7	Very high	197 Å²	197	63.7 Å²	63.7	86%	0.857	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	3.6	174.6	-59.6	-176.6	177.9	-177.5	0	112.9	N310 A314	N310-K312 PolarHBondContact O-N 2.63Å; N310-K312 WeakPolarHBondContact OD1-CA 3.49Å; N310-K312 WeakPolarHBondContact OD1-CB 3.43Å; N310-K312 PolarHBondContact OD1-N 3.05Å; K312-A314 VanDerWaalsContact C-N 3.26Å; K312-A314 PolarHBondContact O-N 2.97Å
313	G	87.6	Confident	91.9	Very high	46 Å²	46	62.9 Å²	62.9	47%	0.474	34%	0.339	S	S	.	.	S	Bend	trans	77.2	4.3	-178.8	0	0	0	0	0	115.1	K309 N310 P311	K309-G313 WeakPolarHBondContact CD-O 3.25Å; N310-G313 PolarHBondContact O-N 3.44Å; N310-G313 PolarHBondContact OD1-N 2.94Å; P311-G313 VanDerWaalsContact C-N 3.29Å
314	A	90.9	Very high	91.6	Very high	50 Å²	50	61.5 Å²	61.5	41%	0.413	34%	0.335	S	S	.	.	S	Bend	trans	-91.2	155.8	179.2	0	0	0	0	0	111.9	K309 N310 K312 G316	K309-A314 WeakPolarHBondContact CA-O 3.49Å; N310-A314 PolarHBondContact N-O 3.2Å; N310-A314 PolarHBondContact OD1-N 2.78Å; N310-A314 PolarHBondContact OD1-O 3.23Å; K312-A314 VanDerWaalsContact C-N 3.26Å; K312-A314 PolarHBondContact O-N 2.97Å; A314-G316 PolarHBondContact O-N 3.05Å; A314-G316 VanDerWaalsContact O-N 3.09Å
315	M	90.6	Very high	91.1	Very high	113 Å²	113	64.3 Å²	64.3	56%	0.557	35%	0.354	S	S	*	.	B	Isolated β-bridge	trans	-75.2	96.2	173.8	-63.6	-59	-65.1	0	0	109.5	W151 W307 K309	W151-M315 HydrophobicContact CZ2-CB 4.41Å; W307-M315 HydrophobicContact CB-CE 3.47Å; W307-M315 VanDerWaalsContact CB-CE 3.47Å; W307-M315 WeakPolarHBondContact O-CE 3.33Å; K309-M315 HydrophobicContact CG-SD 3.72Å
316	G	91.1	Very high	90.6	Very high	9 Å²	9	62.7 Å²	62.7	9%	0.093	34%	0.343	C	S	.	.	S	Bend	trans	-170.6	168.3	-179.7	0	0	0	0	0	113.3	W151 A314	W151-G316 PolarHBondContact NE1-O 3.37Å; A314-G316 PolarHBondContact O-N 3.05Å; A314-G316 VanDerWaalsContact O-N 3.09Å
317	P	94.3	Very high	90.1	Very high	54 Å²	54	63.7 Å²	63.7	35%	0.351	35%	0.346	S	S	.	.			trans	-68.4	162.9	-179.8	31.8	-37.5	0	0	0	112	F100 Y150 W151	F100-P317 HydrophobicContact CE1-CB 3.78Å; F100-P317 HydrophobicContact CE1-CG 3.95Å; F100-P317 HydrophobicContact CZ-CB 3.66Å; F100-P317 HydrophobicContact CZ-CG 4.34Å; Y150-P317 CarbonylContact O-C 3.58Å; Y150-P317 WeakPolarHBondContact O-CA 3.29Å; Y150-P317 WeakPolarHBondContact O-CB 3.43Å; W151-P317 HydrophobicContact CB-CB 4.15Å; W151-P317 HydrophobicContact CE3-CB 4.42Å; W151-P317 HydrophobicContact CG-CB 4.42Å
318	R	94.8	Very high	89.6	Confident	47 Å²	47	66.3 Å²	66.3	18%	0.177	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	158.9	169.5	-61.1	-172.7	177.2	178.3	2	109.6	S24 Y149 Y150 E308 K309 N310	S24-R318 PolarHBondContact OG-NH1 3.1Å; Y149-R318 WeakPolarHBondContact CA-O 3.34Å; Y150-R318 HydrophobicContact CD1-CB 4.22Å; Y150-R318 HydrophobicContact CD2-CB 4.39Å; Y150-R318 HydrophobicContact CE1-CB 3.69Å; Y150-R318 HydrophobicContact CE2-CB 3.87Å; Y150-R318 HydrophobicContact CE2-CG 4.32Å; Y150-R318 VanDerWaalsContact CZ-CB 3.49Å; Y150-R318 PolarHBondContact N-O 2.98Å; Y150-R318 PolarHBondContact O-N 3.41Å; Y150-R318 WeakPolarHBondContact OH-CD 3.27Å; E308-R318 VanDerWaalsContact CD-CZ 3.49Å; E308-R318 VanDerWaalsContact CD-NH2 3.27Å; E308-R318 IonicContact OE1-CZ 2.94Å; E308-R318 IonicContact OE1-NE 3.09Å; E308-R318 IonicContact OE1-NH1 3.82Å; E308-R318 PolarHBondContact OE1-NH1 3.36Å; E308-R318 IonicContact OE1-NH2 3.84Å; E308-R318 PolarHBondContact OE1-NH2 2.84Å; E308-R318 IonicContact OE2-CZ 2.74Å; E308-R318 IonicContact OE2-NE 3.71Å; E308-R318 IonicContact OE2-NH1 2.85Å; E308-R318 IonicContact OE2-NH2 3.35Å; K309-R318 PolarHBondContact O-NE 3.24Å; K309-R318 PolarHBondContact O-NH2 2.9Å; N310-R318 HydrophobicContact CB-CG 4.49Å
319	M	93.6	Very high	89	Confident	97 Å²	97	71.6 Å²	71.6	48%	0.478	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.1	173.1	-177.3	-81.7	-69.5	0	0	108.8	F148 Y149 N321	F148-M319 CarbonylContact O-C 3.56Å; F148-M319 VanDerWaalsContact O-CA 3.28Å; F148-M319 WeakPolarHBondContact O-CA 3.33Å; Y149-M319 HydrophobicContact CD1-CB 3.86Å; Y149-M319 HydrophobicContact CD1-CG 3.86Å; Y149-M319 HydrophobicContact CD2-CG 4.37Å; Y149-M319 HydrophobicContact CE1-CB 3.91Å; Y149-M319 HydrophobicContact CE1-CG 3.61Å; Y149-M319 HydrophobicContact CE2-CG 4.16Å; Y149-M319 HydrophobicContact CG-CB 4.48Å; Y149-M319 HydrophobicContact CG-CG 4.24Å; M319-N321 HydrophobicContact SD-CB 4.3Å
320	V	93.3	Very high	88.5	Confident	39 Å²	39	70.3 Å²	70.3	24%	0.236	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.8	170.4	65	0	0	0	0	109.7	W31 F148 Y150 L322	W31-V320 HydrophobicContact CD2-CG1 4.46Å; W31-V320 HydrophobicContact CZ2-CG1 3.91Å; F148-V320 HydrophobicContact CB-CG1 3.8Å; F148-V320 HydrophobicContact CD2-CG1 4.34Å; F148-V320 PolarHBondContact N-O 3.33Å; F148-V320 PolarHBondContact O-N 2.91Å; Y150-V320 HydrophobicContact CE1-CG1 4.29Å; V320-L322 HydrophobicContact CG1-CD1 4.45Å; V320-L322 HydrophobicContact CG1-CG 4.37Å; V320-L322 HydrophobicContact CG2-CD2 3.76Å; V320-L322 HydrophobicContact CG2-CG 4Å
321	N	92.6	Very high	88.2	Confident	75 Å²	75	72.3 Å²	72.3	40%	0.401	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.9	174	176.7	9.7	0	0	0	108.5	H147 M319 S323	H147-N321 PolarHBondContact CD2-OD1 3.01Å; H147-N321 VanDerWaalsContact CD2-OD1 3.32Å; H147-N321 PolarHBondContact NE2-OD1 2.93Å; M319-N321 HydrophobicContact SD-CB 4.3Å; N321-S323 PolarHBondContact ND2-OG 2.82Å; N321-S323 VanDerWaalsContact OD1-CB 3.31Å; N321-S323 WeakPolarHBondContact OD1-CB 3.35Å; N321-S323 PolarHBondContact OD1-N 3.49Å; N321-S323 PolarHBondContact OD1-OG 3.31Å
322	L	91.8	Very high	88	Confident	24 Å²	24	68.6 Å²	68.6	13%	0.126	37%	0.371	C	S	.	.			trans	-111.9	15.5	179.5	-61.2	177.1	0	0	0	112.6	W31 Y146 F148 V320 E324 C325 M326	W31-L322 HydrophobicContact CB-CD1 3.49Å; W31-L322 VanDerWaalsContact CB-CD1 3.49Å; W31-L322 HydrophobicContact CD2-CD1 4.41Å; W31-L322 HydrophobicContact CG-CD1 3.46Å; W31-L322 VanDerWaalsContact CG-CD1 3.46Å; Y146-L322 PolarHBondContact O-N 2.91Å; F148-L322 HydrophobicContact CD2-CB 4.45Å; F148-L322 HydrophobicContact CD2-CD1 3.99Å; F148-L322 HydrophobicContact CD2-CG 4.28Å; F148-L322 HydrophobicContact CE2-CB 4.11Å; F148-L322 HydrophobicContact CE2-CD1 3.94Å; F148-L322 HydrophobicContact CE2-CG 4.33Å; V320-L322 HydrophobicContact CG1-CD1 4.45Å; V320-L322 HydrophobicContact CG1-CG 4.37Å; V320-L322 HydrophobicContact CG2-CD2 3.76Å; V320-L322 HydrophobicContact CG2-CG 4Å; L322-E324 PolarHBondContact O-N 3.09Å; L322-C325 PolarHBondContact O-N 3.09Å; L322-M326 HydrophobicContact CB-CG 3.89Å; L322-M326 HydrophobicContact CB-SD 3.58Å; L322-M326 VanDerWaalsContact CB-SD 3.58Å; L322-M326 HydrophobicContact CD1-SD 3.89Å; L322-M326 HydrophobicContact CG-SD 4.4Å; L322-M326 WeakPolarHBondContact O-CB 3.39Å; L322-M326 WeakPolarHBondContact O-CG 3.42Å; L322-M326 PolarHBondContact O-N 3.5Å
323	S	88.1	Confident	87.8	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.014	34%	0.344	C	S	.	.	H	α-helix	trans	-56	-36.2	179.2	54.5	0	0	0	0	113.2	N321 C325 M326 D327 R330	N321-S323 PolarHBondContact ND2-OG 2.82Å; N321-S323 VanDerWaalsContact OD1-CB 3.31Å; N321-S323 WeakPolarHBondContact OD1-CB 3.35Å; N321-S323 PolarHBondContact OD1-N 3.49Å; N321-S323 PolarHBondContact OD1-OG 3.31Å; S323-C325 VanDerWaalsContact C-N 3.26Å; S323-C325 PolarHBondContact O-N 2.84Å; S323-M326 PolarHBondContact O-N 2.81Å; S323-D327 WeakPolarHBondContact O-CB 3.26Å; S323-D327 PolarHBondContact O-N 3.07Å; S323-R330 PolarHBondContact OG-NH1 3.31Å
324	E	84.1	Confident	87.7	Confident	139 Å²	139	63.3 Å²	63.3	65%	0.65	34%	0.344	S	S	*	.	H	α-helix	trans	-64.3	-29.2	178.4	-66.6	178.6	-178.2	0	0	113.5	L322 L331	L322-E324 PolarHBondContact O-N 3.09Å; E324-L331 VanDerWaalsContact O-CD2 3.27Å; E324-L331 WeakPolarHBondContact O-CD2 3.4Å
325	C	82.4	Confident	87.3	Confident	78 Å²	78	64.7 Å²	64.7	53%	0.527	35%	0.351	S	S	.	.	H	α-helix	trans	-101.9	-17.8	-178.4	-58.6	0	0	0	0	113.3	L322 S323	L322-C325 PolarHBondContact O-N 3.09Å; S323-C325 VanDerWaalsContact C-N 3.26Å; S323-C325 PolarHBondContact O-N 2.84Å
326	M	83.2	Confident	87.2	Confident	16 Å²	16	61.6 Å²	61.6	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-119	-22.5	-171.1	-57.4	-174.2	87.9	0	0	114.3	H32 Y146 F148 L322 S323 P328	H32-M326 HydrophobicContact CB-CE 4.17Å; H32-M326 VanDerWaalsContact ND1-CE 3.32Å; H32-M326 WeakPolarHBondContact ND1-CE 3.13Å; Y146-M326 HydrophobicContact CD1-CB 3.39Å; Y146-M326 HydrophobicContact CD1-CG 4.31Å; Y146-M326 HydrophobicContact CD1-SD 4.04Å; Y146-M326 HydrophobicContact CE1-CB 3.7Å; Y146-M326 HydrophobicContact CG-CB 3.92Å; F148-M326 HydrophobicContact CE2-SD 3.75Å; F148-M326 HydrophobicContact CZ-CE 4.31Å; F148-M326 HydrophobicContact CZ-SD 3.91Å; L322-M326 HydrophobicContact CB-CG 3.89Å; L322-M326 HydrophobicContact CB-SD 3.58Å; L322-M326 VanDerWaalsContact CB-SD 3.58Å; L322-M326 HydrophobicContact CD1-SD 3.89Å; L322-M326 HydrophobicContact CG-SD 4.4Å; L322-M326 WeakPolarHBondContact O-CB 3.39Å; L322-M326 WeakPolarHBondContact O-CG 3.42Å; L322-M326 PolarHBondContact O-N 3.5Å; S323-M326 PolarHBondContact O-N 2.81Å; M326-P328 VanDerWaalsContact O-CD 3.28Å; M326-P328 WeakPolarHBondContact O-CD 3.5Å
327	D	84.8	Confident	87	Confident	33 Å²	33	63.3 Å²	63.3	18%	0.176	35%	0.345	C	S	.	.			trans	-80.9	113.7	178.5	-175.9	-14.1	0	0	0	109.9	Y146 S323 K329 R330 L331	Y146-D327 HydrophobicContact CD2-CB 3.95Å; Y146-D327 HydrophobicContact CE2-CB 3.82Å; S323-D327 WeakPolarHBondContact O-CB 3.26Å; S323-D327 PolarHBondContact O-N 3.07Å; D327-K329 PolarHBondContact O-N 2.96Å; D327-K329 VanDerWaalsContact O-N 3.14Å; D327-K329 WeakPolarHBondContact OD1-CB 3.36Å; D327-K329 PolarHBondContact OD1-N 3.29Å; D327-R330 HydrophobicContact CB-CB 4.12Å; D327-R330 HydrophobicContact CB-CG 4.1Å; D327-R330 PolarHBondContact O-N 3.05Å; D327-R330 IonicContact OD2-NE 3.08Å; D327-L331 WeakPolarHBondContact O-CG 3.16Å; D327-L331 PolarHBondContact O-N 3.13Å
328	P	84.8	Confident	86.8	Confident	86 Å²	86	64.7 Å²	64.7	56%	0.558	35%	0.349	S	S	*	.	H	α-helix	trans	-57.8	-30.6	-179.2	-24.1	35.1	0	0	0	113.5	M326 A332	M326-P328 VanDerWaalsContact O-CD 3.28Å; M326-P328 WeakPolarHBondContact O-CD 3.5Å; P328-A332 WeakPolarHBondContact O-CB 3.49Å; P328-A332 PolarHBondContact O-N 3.15Å
329	K	83.7	Confident	86.6	Confident	123 Å²	123	67.3 Å²	67.3	54%	0.535	37%	0.367	S	S	.	.	H	α-helix	trans	-69.7	-47.6	179.5	-65.4	-175.5	177.4	-174.5	0	111	D327 L331 A332 E333 P429	D327-K329 PolarHBondContact O-N 2.96Å; D327-K329 VanDerWaalsContact O-N 3.14Å; D327-K329 WeakPolarHBondContact OD1-CB 3.36Å; D327-K329 PolarHBondContact OD1-N 3.29Å; K329-L331 VanDerWaalsContact C-N 3.32Å; K329-L331 PolarHBondContact O-N 3.14Å; K329-A332 WeakPolarHBondContact O-CB 3.41Å; K329-A332 PolarHBondContact O-N 2.87Å; K329-E333 WeakPolarHBondContact O-CG 3.38Å; K329-E333 PolarHBondContact O-N 2.73Å; K329-P429 HydrophobicContact CD-CB 4.12Å; K329-P429 HydrophobicContact CG-CB 4.11Å; K329-P429 HydrophobicContact CG-CG 4.4Å
330	R	82.4	Confident	86.4	Confident	101 Å²	101	63 Å²	63	38%	0.381	35%	0.345	S	S	.	.	H	α-helix	trans	-65.7	-35.4	177.3	-67.2	-177.2	176.6	-143.3	-11.1	112.5	S323 D327 E333 S334	S323-R330 PolarHBondContact OG-NH1 3.31Å; D327-R330 HydrophobicContact CB-CB 4.12Å; D327-R330 HydrophobicContact CB-CG 4.1Å; D327-R330 PolarHBondContact O-N 3.05Å; D327-R330 IonicContact OD2-NE 3.08Å; R330-E333 PolarHBondContact O-N 3.07Å; R330-S334 WeakPolarHBondContact O-CB 3.43Å; R330-S334 PolarHBondContact O-N 2.65Å; R330-S334 PolarHBondContact O-OG 2.94Å
331	L	83.9	Confident	86.3	Confident	73 Å²	73	65.6 Å²	65.6	38%	0.382	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-42.8	173.7	-73.4	172.3	0	0	0	111.5	E324 D327 K329 S335	E324-L331 VanDerWaalsContact O-CD2 3.27Å; E324-L331 WeakPolarHBondContact O-CD2 3.4Å; D327-L331 WeakPolarHBondContact O-CG 3.16Å; D327-L331 PolarHBondContact O-N 3.13Å; K329-L331 VanDerWaalsContact C-N 3.32Å; K329-L331 PolarHBondContact O-N 3.14Å; L331-S335 WeakPolarHBondContact O-CB 3.5Å; L331-S335 PolarHBondContact O-N 3.11Å; L331-S335 PolarHBondContact O-OG 3.42Å
332	A	81.4	Confident	86.3	Confident	39 Å²	39	64.3 Å²	64.3	32%	0.322	35%	0.346	S	S	.	.	H	α-helix	trans	-63.6	-46.2	175	0	0	0	0	0	111.7	P328 K329 S334 S335 V336	P328-A332 WeakPolarHBondContact O-CB 3.49Å; P328-A332 PolarHBondContact O-N 3.15Å; K329-A332 WeakPolarHBondContact O-CB 3.41Å; K329-A332 PolarHBondContact O-N 2.87Å; A332-S334 PolarHBondContact O-N 3.05Å; A332-S335 PolarHBondContact O-N 3.45Å; A332-V336 WeakPolarHBondContact O-CG2 3.35Å; A332-V336 PolarHBondContact O-N 3.49Å
333	E	85.3	Confident	86.2	Confident	64 Å²	64	66.3 Å²	66.3	30%	0.299	36%	0.356	S	S	.	.	H	α-helix	trans	-55.4	-51.4	174.4	-72.7	169.3	-176.7	0	0	111.8	K329 R330 S335 V336 D337 F428 G430	K329-E333 WeakPolarHBondContact O-CG 3.38Å; K329-E333 PolarHBondContact O-N 2.73Å; R330-E333 PolarHBondContact O-N 3.07Å; E333-S335 VanDerWaalsContact C-N 3.28Å; E333-S335 PolarHBondContact O-N 3.3Å; E333-V336 PolarHBondContact O-N 2.87Å; E333-D337 PolarHBondContact O-N 2.98Å; E333-F428 HydrophobicContact CB-CE2 4.36Å; E333-F428 HydrophobicContact CB-CZ 4.21Å; E333-F428 HydrophobicContact CG-CE2 3.84Å; E333-F428 HydrophobicContact CG-CZ 3.58Å; E333-G430 WeakPolarHBondContact OE1-CA 3.33Å
334	S	84.1	Confident	86.4	Confident	68 Å²	68	70.5 Å²	70.5	48%	0.476	37%	0.372	S	S	.	.	H	α-helix	trans	-62.1	-35.9	-179.9	-58.7	0	0	0	0	112.5	R330 A332 L338	R330-S334 WeakPolarHBondContact O-CB 3.43Å; R330-S334 PolarHBondContact O-N 2.65Å; R330-S334 PolarHBondContact O-OG 2.94Å; A332-S334 PolarHBondContact O-N 3.05Å; S334-L338 WeakPolarHBondContact O-CB 3.27Å; S334-L338 PolarHBondContact O-N 3.31Å
335	S	84.1	Confident	86.7	Confident	78 Å²	78	71.6 Å²	71.6	55%	0.545	37%	0.37	S	S	.	.	H	α-helix	trans	-69.9	-40.6	179.2	-60.6	0	0	0	0	112.4	L331 A332 E333 L338 N339	L331-S335 WeakPolarHBondContact O-CB 3.5Å; L331-S335 PolarHBondContact O-N 3.11Å; L331-S335 PolarHBondContact O-OG 3.42Å; A332-S335 PolarHBondContact O-N 3.45Å; E333-S335 VanDerWaalsContact C-N 3.28Å; E333-S335 PolarHBondContact O-N 3.3Å; S335-L338 PolarHBondContact O-N 3.36Å; S335-N339 PolarHBondContact O-N 3.27Å
336	V	86.6	Confident	87.2	Confident	48 Å²	48	76.9 Å²	76.9	29%	0.291	38%	0.379	S	S	.	.	H	α-helix	trans	-63.5	-47.2	174.5	171.6	0	0	0	0	110.2	A332 E333 L338 N339 L340 F428	A332-V336 WeakPolarHBondContact O-CG2 3.35Å; A332-V336 PolarHBondContact O-N 3.49Å; E333-V336 PolarHBondContact O-N 2.87Å; V336-L338 VanDerWaalsContact C-N 3.29Å; V336-L338 PolarHBondContact O-N 3.49Å; V336-N339 WeakPolarHBondContact O-CB 3.05Å; V336-N339 PolarHBondContact O-N 2.99Å; V336-N339 VanDerWaalsContact O-N 3.13Å; V336-L340 PolarHBondContact O-N 2.88Å; V336-F428 HydrophobicContact CB-CE2 4.38Å; V336-F428 HydrophobicContact CG2-CD2 4.2Å; V336-F428 HydrophobicContact CG2-CE2 3.97Å
337	D	87.4	Confident	87.6	Confident	45 Å²	45	82.6 Å²	82.6	24%	0.241	41%	0.409	C	S	.	.	H	α-helix	trans	-65.7	-33.9	-178.9	-69.7	-8.3	0	0	0	112.4	E333 N339 L340 K341 R383	E333-D337 PolarHBondContact O-N 2.98Å; D337-N339 VanDerWaalsContact C-N 3.33Å; D337-N339 PolarHBondContact O-N 3.05Å; D337-L340 PolarHBondContact O-N 3.07Å; D337-K341 WeakPolarHBondContact O-CB 3.39Å; D337-K341 VanDerWaalsContact O-CG 3.25Å; D337-K341 WeakPolarHBondContact O-CG 3.16Å; D337-K341 PolarHBondContact O-N 3.03Å; D337-R383 VanDerWaalsContact CG-NH2 3.3Å; D337-R383 IonicContact OD1-CZ 3.39Å; D337-R383 IonicContact OD1-NH1 2.82Å; D337-R383 IonicContact OD1-NH2 2.7Å; D337-R383 PolarHBondContact OD1-NH2 2.9Å; D337-R383 IonicContact OD2-NH2 3.75Å; D337-R383 PolarHBondContact OD2-NH2 3.13Å
338	L	90.6	Very high	87.8	Confident	83 Å²	83	82.6 Å²	82.6	44%	0.435	41%	0.41	S	S	.	.	H	α-helix	trans	-62.2	-40.7	174.6	-178.6	61.2	0	0	0	111.4	S334 S335 V336 L340 K341 L342 W345	S334-L338 WeakPolarHBondContact O-CB 3.27Å; S334-L338 PolarHBondContact O-N 3.31Å; S335-L338 PolarHBondContact O-N 3.36Å; V336-L338 VanDerWaalsContact C-N 3.29Å; V336-L338 PolarHBondContact O-N 3.49Å; L338-L340 VanDerWaalsContact C-N 3.34Å; L338-L340 PolarHBondContact O-N 2.97Å; L338-K341 PolarHBondContact O-N 2.75Å; L338-L342 HydrophobicContact CD1-CG 4.32Å; L338-L342 HydrophobicContact CG-CD1 4.29Å; L338-L342 HydrophobicContact CG-CG 4.4Å; L338-L342 VanDerWaalsContact O-CG 3.24Å; L338-L342 WeakPolarHBondContact O-CG 3.42Å; L338-L342 PolarHBondContact O-N 3.2Å; L338-W345 HydrophobicContact CD1-CH2 4.48Å; L338-W345 HydrophobicContact CD1-CZ3 4.18Å
339	N	89.7	Confident	88	Confident	102 Å²	102	82.8 Å²	82.8	55%	0.545	41%	0.411	S	S	.	.	H	α-helix	trans	-60.2	-45.1	179.2	-169.1	-88.6	0	0	0	111.8	S335 V336 D337 L342 M343	S335-N339 PolarHBondContact O-N 3.27Å; V336-N339 WeakPolarHBondContact O-CB 3.05Å; V336-N339 PolarHBondContact O-N 2.99Å; V336-N339 VanDerWaalsContact O-N 3.13Å; D337-N339 VanDerWaalsContact C-N 3.33Å; D337-N339 PolarHBondContact O-N 3.05Å; N339-L342 WeakPolarHBondContact O-CB 3.25Å; N339-L342 PolarHBondContact O-N 2.85Å; N339-M343 PolarHBondContact O-N 3.2Å
340	L	90.8	Very high	88.3	Confident	6 Å²	6	81 Å²	81	3%	0.031	41%	0.414	C	S	.	.	H	α-helix	trans	-66.5	-42.8	176.3	-65.8	173.5	0	0	0	112.1	V336 D337 L338 L342 M343 R344 L353 G379 W380	V336-L340 PolarHBondContact O-N 2.88Å; D337-L340 PolarHBondContact O-N 3.07Å; L338-L340 VanDerWaalsContact C-N 3.34Å; L338-L340 PolarHBondContact O-N 2.97Å; L340-L342 PolarHBondContact O-N 3.37Å; L340-M343 HydrophobicContact CD2-SD 4.15Å; L340-M343 WeakPolarHBondContact O-CB 3.42Å; L340-M343 PolarHBondContact O-N 3.13Å; L340-M343 VanDerWaalsContact O-N 3.11Å; L340-R344 PolarHBondContact O-N 3.08Å; L340-R344 VanDerWaalsContact O-N 3.11Å; L340-L353 VanDerWaalsContact C-CD1 3.48Å; L340-L353 HydrophobicContact CB-CD1 3.91Å; L340-L353 HydrophobicContact CB-CD2 3.98Å; L340-L353 WeakPolarHBondContact O-CD1 3.14Å; L340-G379 WeakPolarHBondContact CD2-O 3.44Å; L340-W380 WeakPolarHBondContact CD1-O 3.42Å; L340-W380 HydrophobicContact CD2-CE3 4.24Å
341	K	91.3	Very high	88.8	Confident	94 Å²	94	76.3 Å²	76.3	41%	0.409	40%	0.397	S	S	.	.	H	α-helix	trans	-59.7	-36.2	174.2	-74.4	168	-176.2	168.4	0	111.8	D337 L338 R344 W345 L353	D337-K341 WeakPolarHBondContact O-CB 3.39Å; D337-K341 VanDerWaalsContact O-CG 3.25Å; D337-K341 WeakPolarHBondContact O-CG 3.16Å; D337-K341 PolarHBondContact O-N 3.03Å; L338-K341 PolarHBondContact O-N 2.75Å; K341-R344 WeakPolarHBondContact O-CB 3.45Å; K341-R344 PolarHBondContact O-N 3.4Å; K341-W345 HydrophobicContact CB-CD2 4.37Å; K341-W345 HydrophobicContact CB-CH2 4.14Å; K341-W345 HydrophobicContact CB-CZ2 3.93Å; K341-W345 HydrophobicContact CB-CZ3 4.44Å; K341-W345 HydrophobicContact CD-CH2 4.5Å; K341-W345 HydrophobicContact CD-CZ2 4.28Å; K341-W345 HydrophobicContact CG-CZ2 4.36Å; K341-W345 WeakPolarHBondContact O-CB 3.47Å; K341-W345 PolarHBondContact O-N 2.89Å; K341-L353 HydrophobicContact CG-CD1 4.15Å
342	L	92.1	Very high	89.2	Confident	48 Å²	48	75.2 Å²	75.2	25%	0.251	39%	0.391	S	S	.	.	H	α-helix	trans	-65.3	-38.3	175	-71.4	172	0	0	0	112.2	L338 N339 L340 R344 W345 R346	L338-L342 HydrophobicContact CD1-CG 4.32Å; L338-L342 HydrophobicContact CG-CD1 4.29Å; L338-L342 HydrophobicContact CG-CG 4.4Å; L338-L342 VanDerWaalsContact O-CG 3.24Å; L338-L342 WeakPolarHBondContact O-CG 3.42Å; L338-L342 PolarHBondContact O-N 3.2Å; N339-L342 WeakPolarHBondContact O-CB 3.25Å; N339-L342 PolarHBondContact O-N 2.85Å; L340-L342 PolarHBondContact O-N 3.37Å; L342-R344 VanDerWaalsContact C-N 3.35Å; L342-W345 HydrophobicContact CD2-CE3 4.14Å; L342-W345 HydrophobicContact CD2-CZ3 4.47Å; L342-W345 PolarHBondContact O-N 3.43Å; L342-R346 VanDerWaalsContact O-CB 3.23Å; L342-R346 WeakPolarHBondContact O-CB 3.43Å; L342-R346 WeakPolarHBondContact O-CG 3.11Å; L342-R346 PolarHBondContact O-N 3.17Å
343	M	90	Very high	89.8	Confident	67 Å²	67	73.8 Å²	73.8	33%	0.33	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-47.1	172	-67.5	173.4	57.2	0	0	110.9	N339 L340 L347 V348 W380	N339-M343 PolarHBondContact O-N 3.2Å; L340-M343 HydrophobicContact CD2-SD 4.15Å; L340-M343 WeakPolarHBondContact O-CB 3.42Å; L340-M343 PolarHBondContact O-N 3.13Å; L340-M343 VanDerWaalsContact O-N 3.11Å; M343-L347 WeakPolarHBondContact O-CB 3.23Å; M343-L347 PolarHBondContact O-N 3.45Å; M343-V348 PolarHBondContact O-N 3.42Å; M343-V348 VanDerWaalsContact O-N 3.09Å; M343-W380 HydrophobicContact CE-CH2 3.77Å; M343-W380 HydrophobicContact CE-CZ2 4.37Å; M343-W380 HydrophobicContact CE-CZ3 4.15Å
344	R	91.3	Very high	90.2	Very high	90 Å²	90	75.5 Å²	75.5	34%	0.34	39%	0.389	S	S	.	.	H	α-helix	trans	-59.6	-51.6	176.4	-178.8	-178	177.7	179.1	0.4	111.7	L340 K341 L342 V348 P349 L351 L353	L340-R344 PolarHBondContact O-N 3.08Å; L340-R344 VanDerWaalsContact O-N 3.11Å; K341-R344 WeakPolarHBondContact O-CB 3.45Å; K341-R344 PolarHBondContact O-N 3.4Å; L342-R344 VanDerWaalsContact C-N 3.35Å; R344-V348 WeakPolarHBondContact CA-O 3.23Å; R344-V348 CarbonylContact O-C 3.56Å; R344-V348 PolarHBondContact O-N 3.44Å; R344-P349 PolarHBondContact NE-O 2.88Å; R344-P349 WeakPolarHBondContact O-CA 3.38Å; R344-L351 HydrophobicContact CB-CB 4.42Å; R344-L351 HydrophobicContact CB-CD2 4.47Å; R344-L351 WeakPolarHBondContact CD-O 3.28Å; R344-L351 HydrophobicContact CG-CB 4.3Å; R344-L351 PolarHBondContact NE-O 2.98Å; R344-L353 HydrophobicContact CB-CD1 4.09Å
345	W	91.8	Very high	90.7	Very high	162 Å²	162	77 Å²	77	61%	0.614	39%	0.387	S	S	*	.	H	α-helix	trans	-69.9	-35.8	-174.4	-61.1	-22.1	0	0	0	113.6	L338 K341 L342	L338-W345 HydrophobicContact CD1-CH2 4.48Å; L338-W345 HydrophobicContact CD1-CZ3 4.18Å; K341-W345 HydrophobicContact CB-CD2 4.37Å; K341-W345 HydrophobicContact CB-CH2 4.14Å; K341-W345 HydrophobicContact CB-CZ2 3.93Å; K341-W345 HydrophobicContact CB-CZ3 4.44Å; K341-W345 HydrophobicContact CD-CH2 4.5Å; K341-W345 HydrophobicContact CD-CZ2 4.28Å; K341-W345 HydrophobicContact CG-CZ2 4.36Å; K341-W345 WeakPolarHBondContact O-CB 3.47Å; K341-W345 PolarHBondContact O-N 2.89Å; L342-W345 HydrophobicContact CD2-CE3 4.14Å; L342-W345 HydrophobicContact CD2-CZ3 4.47Å; L342-W345 PolarHBondContact O-N 3.43Å
346	R	92.8	Very high	91.2	Very high	189 Å²	189	73.3 Å²	73.3	71%	0.713	36%	0.361	S	S	*	.	H	α-helix	trans	-91.6	-34.3	-173.6	-65.1	-179.4	176.3	-179.8	0.5	113.6	L342	L342-R346 VanDerWaalsContact O-CB 3.23Å; L342-R346 WeakPolarHBondContact O-CB 3.43Å; L342-R346 WeakPolarHBondContact O-CG 3.11Å; L342-R346 PolarHBondContact O-N 3.17Å
347	L	90.8	Very high	91.6	Very high	135 Å²	135	72.2 Å²	72.2	71%	0.707	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	-48.9	-168.7	-58.8	176.1	0	0	0	112.2	M343	M343-L347 WeakPolarHBondContact O-CB 3.23Å; M343-L347 PolarHBondContact O-N 3.45Å
348	V	89.7	Confident	92	Very high	33 Å²	33	75 Å²	75	20%	0.2	37%	0.37	C	S	.	.			trans	-132.8	80.2	-170.2	-168.4	0	0	0	0	111.6	M343 R344 S350 L351 S635	M343-V348 PolarHBondContact O-N 3.42Å; M343-V348 VanDerWaalsContact O-N 3.09Å; R344-V348 WeakPolarHBondContact CA-O 3.23Å; R344-V348 CarbonylContact O-C 3.56Å; R344-V348 PolarHBondContact O-N 3.44Å; V348-S350 PolarHBondContact O-N 3.35Å; V348-L351 HydrophobicContact CB-CB 4.12Å; V348-L351 HydrophobicContact CG1-CB 3.91Å; V348-L351 WeakPolarHBondContact O-CB 3.47Å; V348-L351 PolarHBondContact O-N 3.31Å; V348-S635 WeakPolarHBondContact CG1-O 3.47Å
349	P	89.2	Confident	92.4	Very high	91 Å²	91	71.5 Å²	71.5	59%	0.591	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-28.8	-174.3	-27.6	36.8	0	0	0	115.2	R344 L351	R344-P349 PolarHBondContact NE-O 2.88Å; R344-P349 WeakPolarHBondContact O-CA 3.38Å; P349-L351 VanDerWaalsContact C-N 3.26Å; P349-L351 PolarHBondContact O-N 3.22Å
350	S	89.9	Confident	92.8	Very high	86 Å²	86	71 Å²	71	60%	0.601	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-4.9	178.1	60.4	0	0	0	0	114	V348 D352 S635	V348-S350 PolarHBondContact O-N 3.35Å; S350-D352 PolarHBondContact O-N 2.9Å; S350-S635 WeakPolarHBondContact OG-CB 3.4Å
351	L	91.8	Very high	93.2	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.005	34%	0.343	C	S	.	.			trans	-64.6	118.6	178.3	-179.8	64.6	0	0	0	110.6	R344 V348 P349 L353 W380 Q613 L636	R344-L351 HydrophobicContact CB-CB 4.42Å; R344-L351 HydrophobicContact CB-CD2 4.47Å; R344-L351 WeakPolarHBondContact CD-O 3.28Å; R344-L351 HydrophobicContact CG-CB 4.3Å; R344-L351 PolarHBondContact NE-O 2.98Å; V348-L351 HydrophobicContact CB-CB 4.12Å; V348-L351 HydrophobicContact CG1-CB 3.91Å; V348-L351 WeakPolarHBondContact O-CB 3.47Å; V348-L351 PolarHBondContact O-N 3.31Å; P349-L351 VanDerWaalsContact C-N 3.26Å; P349-L351 PolarHBondContact O-N 3.22Å; L351-L353 HydrophobicContact CD2-CD2 3.61Å; L351-L353 HydrophobicContact CD2-CG 4.29Å; L351-L353 HydrophobicContact CG-CD2 3.89Å; L351-L353 HydrophobicContact CG-CG 4.26Å; L351-L353 PolarHBondContact O-N 2.91Å; L351-W380 HydrophobicContact CD1-CZ3 4.38Å; L351-W380 HydrophobicContact CD2-CZ3 4.12Å; L351-Q613 HydrophobicContact CD1-CG 3.91Å; L351-L636 HydrophobicContact CD1-CD1 3.93Å; L351-L636 HydrophobicContact CD1-CD2 4.28Å; L351-L636 HydrophobicContact CD1-CG 4.27Å
352	D	93.1	Very high	93.6	Very high	51 Å²	51	66.2 Å²	66.2	27%	0.273	32%	0.324	S	S	.	.			trans	-90.9	88.9	176.7	-169.7	-19.7	0	0	0	110	S350 D354 K355 Q613	S350-D352 PolarHBondContact O-N 2.9Å; D352-D354 VanDerWaalsContact C-N 3.29Å; D352-D354 PolarHBondContact O-N 3.04Å; D352-D354 PolarHBondContact OD1-N 2.85Å; D352-K355 HydrophobicContact CB-CD 4.05Å; D352-K355 HydrophobicContact CB-CG 4.34Å; D352-K355 PolarHBondContact OD1-N 3.35Å; D352-K355 VanDerWaalsContact OD2-CD 3.27Å; D352-K355 WeakPolarHBondContact OD2-CD 3.46Å; D352-K355 WeakPolarHBondContact OD2-CE 3.35Å; D352-K355 WeakPolarHBondContact OD2-CG 3.33Å; D352-K355 IonicContact OD2-NZ 3.95Å; D352-Q613 PolarHBondContact O-NE2 3.24Å
353	L	93.2	Very high	93.9	Very high	9 Å²	9	63.9 Å²	63.9	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-66.3	-31.8	179	-66	173.6	0	0	0	112.4	L340 K341 R344 L351 K355 V356 V357	L340-L353 VanDerWaalsContact C-CD1 3.48Å; L340-L353 HydrophobicContact CB-CD1 3.91Å; L340-L353 HydrophobicContact CB-CD2 3.98Å; L340-L353 WeakPolarHBondContact O-CD1 3.14Å; K341-L353 HydrophobicContact CG-CD1 4.15Å; R344-L353 HydrophobicContact CB-CD1 4.09Å; L351-L353 HydrophobicContact CD2-CD2 3.61Å; L351-L353 HydrophobicContact CD2-CG 4.29Å; L351-L353 HydrophobicContact CG-CD2 3.89Å; L351-L353 HydrophobicContact CG-CG 4.26Å; L351-L353 PolarHBondContact O-N 2.91Å; L353-K355 VanDerWaalsContact C-N 3.31Å; L353-K355 PolarHBondContact O-N 3.4Å; L353-V356 PolarHBondContact O-N 3.29Å; L353-V356 VanDerWaalsContact O-N 3.09Å; L353-V357 VanDerWaalsContact O-CG2 3.29Å; L353-V357 WeakPolarHBondContact O-CG2 3.34Å; L353-V357 PolarHBondContact O-N 3.46Å
354	D	93.6	Very high	94.3	Very high	100 Å²	100	60.7 Å²	60.7	54%	0.535	30%	0.296	S	S	.	.	H	α-helix	trans	-67.2	-35.7	-175.5	-64.9	-39	0	0	0	110.8	D352 V356 N358	D352-D354 VanDerWaalsContact C-N 3.29Å; D352-D354 PolarHBondContact O-N 3.04Å; D352-D354 PolarHBondContact OD1-N 2.85Å; D354-V356 VanDerWaalsContact C-N 3.33Å; D354-V356 PolarHBondContact O-N 3.12Å; D354-N358 WeakPolarHBondContact O-CB 3.44Å; D354-N358 PolarHBondContact O-N 3.24Å; D354-N358 VanDerWaalsContact O-N 3.13Å; D354-N358 PolarHBondContact O-ND2 3.22Å
355	K	94.3	Very high	94.5	Very high	99 Å²	99	56.8 Å²	56.8	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-57.3	-45.5	170.2	-77.2	178.7	-177.2	174.2	0	112.2	D352 L353 T359	D352-K355 HydrophobicContact CB-CD 4.05Å; D352-K355 HydrophobicContact CB-CG 4.34Å; D352-K355 PolarHBondContact OD1-N 3.35Å; D352-K355 VanDerWaalsContact OD2-CD 3.27Å; D352-K355 WeakPolarHBondContact OD2-CD 3.46Å; D352-K355 WeakPolarHBondContact OD2-CE 3.35Å; D352-K355 WeakPolarHBondContact OD2-CG 3.33Å; D352-K355 IonicContact OD2-NZ 3.95Å; L353-K355 VanDerWaalsContact C-N 3.31Å; L353-K355 PolarHBondContact O-N 3.4Å; K355-T359 PolarHBondContact O-N 3.32Å; K355-T359 PolarHBondContact O-OG1 2.81Å
356	V	95.7	Very high	94.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.3	-49.5	-177.2	-175.5	0	0	0	0	110.7	L353 D354 N358 T359 W380 V382 V609	L353-V356 PolarHBondContact O-N 3.29Å; L353-V356 VanDerWaalsContact O-N 3.09Å; D354-V356 VanDerWaalsContact C-N 3.33Å; D354-V356 PolarHBondContact O-N 3.12Å; V356-N358 VanDerWaalsContact C-N 3.31Å; V356-N358 PolarHBondContact O-N 2.66Å; V356-T359 WeakPolarHBondContact O-CB 3.41Å; V356-T359 PolarHBondContact O-N 3.27Å; V356-W380 HydrophobicContact CG1-CB 3.94Å; V356-V382 HydrophobicContact CG1-CG2 3.96Å; V356-V609 HydrophobicContact CG1-CG2 4.22Å; V356-V609 HydrophobicContact CG2-CG1 3.98Å
357	V	95.4	Very high	94.8	Very high	26 Å²	26	40.7 Å²	40.7	16%	0.158	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-41.3	-177.7	170.8	0	0	0	0	112	L353 R383	L353-V357 VanDerWaalsContact O-CG2 3.29Å; L353-V357 WeakPolarHBondContact O-CG2 3.34Å; L353-V357 PolarHBondContact O-N 3.46Å; V357-R383 HydrophobicContact CG1-CG 3.86Å; V357-R383 PolarHBondContact O-N 3.24Å
358	N	95.8	Very high	95	Very high	104 Å²	104	35 Å²	35	56%	0.556	20%	0.198	S	C	*	.	H	α-helix	trans	-84.3	-9.4	-176.6	-67.5	-52.1	0	0	0	114.5	D354 V356 K360	D354-N358 WeakPolarHBondContact O-CB 3.44Å; D354-N358 PolarHBondContact O-N 3.24Å; D354-N358 VanDerWaalsContact O-N 3.13Å; D354-N358 PolarHBondContact O-ND2 3.22Å; V356-N358 VanDerWaalsContact C-N 3.31Å; V356-N358 PolarHBondContact O-N 2.66Å; N358-K360 PolarHBondContact O-N 3.32Å
359	T	98.2	Very high	95.3	Very high	9 Å²	9	33.6 Å²	33.6	6%	0.055	19%	0.189	C	C	.	.			trans	-65.5	131.3	-179.1	-67.5	0	0	0	0	110.7	K355 V356 D472 V473 L612	K355-T359 PolarHBondContact O-N 3.32Å; K355-T359 PolarHBondContact O-OG1 2.81Å; V356-T359 WeakPolarHBondContact O-CB 3.41Å; V356-T359 PolarHBondContact O-N 3.27Å; T359-D472 HydrophobicContact CG2-CB 4.09Å; T359-V473 HydrophobicContact CG2-CB 4.45Å; T359-V473 HydrophobicContact CG2-CG2 3.71Å; T359-L612 HydrophobicContact CG2-CD1 4.23Å; T359-L612 WeakPolarHBondContact OG1-CD1 3.38Å
360	K	98.7	Very high	95.7	Very high	90 Å²	90	29.3 Å²	29.3	39%	0.391	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	117.2	172.9	-61	-179.2	-174	178.6	0	110.8	N358 H384 E470 H471 D472 V473	N358-K360 PolarHBondContact O-N 3.32Å; K360-H384 HydrophobicContact CB-CB 4.21Å; K360-H384 HydrophobicContact CG-CB 3.81Å; K360-E470 WeakPolarHBondContact CD-O 3.4Å; K360-H471 HydrophobicContact CB-CB 4.36Å; K360-D472 PolarHBondContact N-OD2 2.85Å; K360-D472 PolarHBondContact O-N 3.04Å; K360-V473 PolarHBondContact O-N 2.72Å
361	C	98.8	Very high	96	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.8	-177.2	-66.2	0	0	0	0	111.6	L363 L377 H384 T386 F475	C361-L363 HydrophobicContact CB-CD1 3.78Å; C361-L377 HydrophobicContact CB-CD1 3.9Å; C361-H384 PolarHBondContact N-O 3.25Å; C361-T386 PolarHBondContact O-N 3.48Å; C361-F475 HydrophobicContact CB-CD2 4.49Å; C361-F475 HydrophobicContact CB-CE2 4.31Å
362	L	98.9	Very high	96.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.4	170.9	179.9	62.1	0	0	0	109.8	L364 T386 V388 L467 I468 H471 V473 V474 F475	L362-L364 HydrophobicContact CD1-CD2 4.07Å; L362-L364 HydrophobicContact CD2-CD2 3.89Å; L362-L364 HydrophobicContact CD2-CG 4.49Å; L362-L364 HydrophobicContact CG-CD2 3.75Å; L362-L364 HydrophobicContact CG-CG 4.31Å; L362-T386 HydrophobicContact CD1-CG2 3.85Å; L362-V388 HydrophobicContact CD1-CG2 4Å; L362-L467 HydrophobicContact CD1-CB 4.17Å; L362-L467 HydrophobicContact CD1-CD1 4.49Å; L362-L467 HydrophobicContact CD2-CB 3.88Å; L362-I468 HydrophobicContact CD2-CG1 3.75Å; L362-H471 HydrophobicContact CB-CB 3.83Å; L362-V473 PolarHBondContact N-O 2.89Å; L362-V474 HydrophobicContact CB-CG2 4.46Å; L362-V474 HydrophobicContact CD2-CG1 4.28Å; L362-V474 HydrophobicContact CD2-CG2 4.33Å; L362-F475 PolarHBondContact O-N 3.04Å
363	L	98.8	Very high	96.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	102.4	-178.6	-76	59.6	0	0	0	108.8	C361 G365 V373 A374 L377 I385 T386 F387 V388 F475 L477	C361-L363 HydrophobicContact CB-CD1 3.78Å; L363-G365 PolarHBondContact O-N 3.45Å; L363-V373 HydrophobicContact CD2-CG1 4.16Å; L363-V373 HydrophobicContact CG-CG1 4.32Å; L363-A374 HydrophobicContact CD2-CB 3.78Å; L363-L377 HydrophobicContact CD1-CD1 3.93Å; L363-L377 HydrophobicContact CD2-CD1 4.38Å; L363-I385 HydrophobicContact CD1-CG2 3.93Å; L363-I385 HydrophobicContact CD2-CG2 3.89Å; L363-T386 PolarHBondContact N-O 3.37Å; L363-F387 HydrophobicContact CB-CD1 3.91Å; L363-F387 HydrophobicContact CB-CE1 4.18Å; L363-F387 HydrophobicContact CD2-CD1 4.09Å; L363-F387 HydrophobicContact CD2-CE1 3.5Å; L363-F387 HydrophobicContact CD2-CZ 3.95Å; L363-V388 PolarHBondContact O-N 3.14Å; L363-F475 HydrophobicContact CD1-CD2 4.21Å; L363-F475 HydrophobicContact CG-CB 4.46Å; L363-L477 HydrophobicContact CB-CD1 4.33Å; L363-L477 HydrophobicContact CG-CD1 4.17Å
364	L	98.3	Very high	96.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	98.3	175.5	-55.4	-173	0	0	0	108.9	L362 V388 I440 L464 V474 F475 L476 L477 M478 P487	L362-L364 HydrophobicContact CD1-CD2 4.07Å; L362-L364 HydrophobicContact CD2-CD2 3.89Å; L362-L364 HydrophobicContact CD2-CG 4.49Å; L362-L364 HydrophobicContact CG-CD2 3.75Å; L362-L364 HydrophobicContact CG-CG 4.31Å; L364-V388 HydrophobicContact CD2-CB 3.7Å; L364-V388 HydrophobicContact CD2-CG1 4.25Å; L364-V388 HydrophobicContact CD2-CG2 3.76Å; L364-I440 HydrophobicContact CB-CD1 4.39Å; L364-I440 HydrophobicContact CD1-CD1 4.29Å; L364-I440 HydrophobicContact CD2-CD1 4.39Å; L364-L464 HydrophobicContact CD1-CD1 4.11Å; L364-L464 HydrophobicContact CD2-CD1 3.97Å; L364-V474 HydrophobicContact CD1-CG1 3.95Å; L364-V474 HydrophobicContact CG-CG1 4.17Å; L364-F475 WeakPolarHBondContact CB-O 3.5Å; L364-F475 PolarHBondContact N-O 3.21Å; L364-L476 HydrophobicContact CD1-CD2 3.71Å; L364-L476 HydrophobicContact CG-CD2 4.47Å; L364-L477 CarbonylContact O-C 3.59Å; L364-L477 VanDerWaalsContact O-C 3.29Å; L364-L477 WeakPolarHBondContact O-CA 3.39Å; L364-L477 WeakPolarHBondContact O-CB 3.08Å; L364-L477 PolarHBondContact O-N 3.26Å; L364-M478 HydrophobicContact CB-CG 4.26Å; L364-M478 HydrophobicContact CB-SD 4.33Å; L364-M478 VanDerWaalsContact O-CG 3.31Å; L364-M478 WeakPolarHBondContact O-CG 3.28Å; L364-M478 PolarHBondContact O-N 2.94Å; L364-P487 HydrophobicContact CD1-CB 3.46Å; L364-P487 VanDerWaalsContact CD1-CB 3.46Å; L364-P487 HydrophobicContact CD1-CG 3.54Å
365	G	96.6	Very high	97	Very high	8 Å²	8	23.4 Å²	23.4	8%	0.082	12%	0.115	C	C	.	.			trans	113	120.4	-171.6	0	0	0	0	0	111.8	L363 G370 V388	L363-G365 PolarHBondContact O-N 3.45Å; G365-G370 VanDerWaalsContact O-CA 3.31Å; G365-G370 WeakPolarHBondContact O-CA 3.32Å; G365-V388 WeakPolarHBondContact CA-O 3.4Å; G365-V388 PolarHBondContact N-O 3.08Å
366	A	96.9	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.			trans	-106.9	27.5	174.1	0	0	0	0	0	111.1	F387 D389 Y404 K416	A366-F387 HydrophobicContact CB-CD1 3.83Å; A366-F387 HydrophobicContact CB-CE1 4.43Å; A366-F387 HydrophobicContact CB-CG 4.45Å; A366-D389 WeakPolarHBondContact CA-OD2 3.25Å; A366-D389 HydrophobicContact CB-CB 3.68Å; A366-D389 PolarHBondContact N-OD2 3.37Å; A366-Y404 WeakPolarHBondContact CB-OH 3.47Å; A366-Y404 WeakPolarHBondContact O-CE2 3.11Å; A366-Y404 PolarHBondContact O-OH 2.93Å; A366-K416 HydrophobicContact CB-CB 4.06Å
367	G	94	Very high	97.3	Very high	13 Å²	13	20.5 Å²	20.5	13%	0.134	11%	0.106	C	C	.	.	S	Bend	trans	-80.4	-152.6	174	0	0	0	0	0	113.3	L369 G370 C371	G367-L369 VanDerWaalsContact C-N 3.35Å; G367-L369 PolarHBondContact O-N 2.96Å; G367-G370 PolarHBondContact O-N 3.08Å; G367-C371 PolarHBondContact O-N 3.2Å; G367-C371 PolarHBondContact O-SG 2.97Å
368	T	94.1	Very high	97.3	Very high	16 Å²	16	20.2 Å²	20.2	10%	0.098	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-44.8	-176.3	-46.2	0	0	0	0	111.7	N372 R400 A597	T368-N372 PolarHBondContact O-N 2.76Å; T368-N372 PolarHBondContact O-ND2 3.47Å; T368-R400 HydrophobicContact CG2-CB 4.33Å; T368-R400 VanDerWaalsContact CG2-O 3.25Å; T368-R400 WeakPolarHBondContact CG2-O 3.37Å; T368-A597 HydrophobicContact CG2-CB 3.23Å
369	L	95.4	Very high	97.3	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-67.6	-50.6	176.3	-76.5	171.7	0	0	0	112	G367 C371 N372 V373 L477 A501 L503 A597 A600	G367-L369 VanDerWaalsContact C-N 3.35Å; G367-L369 PolarHBondContact O-N 2.96Å; L369-C371 VanDerWaalsContact C-N 3.29Å; L369-C371 PolarHBondContact O-N 3.04Å; L369-N372 PolarHBondContact O-N 3.1Å; L369-N372 VanDerWaalsContact O-N 3.08Å; L369-V373 WeakPolarHBondContact O-CB 3.47Å; L369-V373 WeakPolarHBondContact O-CG2 3.39Å; L369-V373 PolarHBondContact O-N 2.9Å; L369-L477 HydrophobicContact CB-CB 3.91Å; L369-L477 HydrophobicContact CB-CD2 4.16Å; L369-L477 HydrophobicContact CB-CG 4.45Å; L369-A501 HydrophobicContact CD1-CB 4.03Å; L369-A501 WeakPolarHBondContact CD1-O 3.48Å; L369-A501 HydrophobicContact CD2-CB 4.2Å; L369-L503 HydrophobicContact CD1-CD1 4.31Å; L369-L503 HydrophobicContact CD1-CG 4.09Å; L369-L503 HydrophobicContact CD2-CD1 4.15Å; L369-L503 HydrophobicContact CD2-CD2 4.16Å; L369-L503 HydrophobicContact CD2-CG 4.22Å; L369-L503 HydrophobicContact CG-CD1 3.98Å; L369-L503 HydrophobicContact CG-CG 4.22Å; L369-A597 HydrophobicContact CD2-CB 4.41Å; L369-A600 HydrophobicContact CD2-CB 4Å
370	G	97.3	Very high	97.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-51.2	-46.2	179.6	0	0	0	0	0	113.6	G365 G367 N372 A374	G365-G370 VanDerWaalsContact O-CA 3.31Å; G365-G370 WeakPolarHBondContact O-CA 3.32Å; G367-G370 PolarHBondContact O-N 3.08Å; G370-N372 PolarHBondContact O-N 2.98Å; G370-A374 VanDerWaalsContact O-CB 3.28Å; G370-A374 WeakPolarHBondContact O-CB 3.44Å; G370-A374 PolarHBondContact O-N 3.3Å
371	C	97.6	Very high	97	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-41.3	178.8	-68.4	0	0	0	0	113.1	G367 L369 R375 P402 L403	G367-C371 PolarHBondContact O-N 3.2Å; G367-C371 PolarHBondContact O-SG 2.97Å; L369-C371 VanDerWaalsContact C-N 3.29Å; L369-C371 PolarHBondContact O-N 3.04Å; C371-R375 PolarHBondContact O-N 2.63Å; C371-P402 VanDerWaalsContact CB-CD 3.49Å; C371-P402 HydrophobicContact CB-CG 3.89Å; C371-L403 HydrophobicContact CB-CB 4.39Å; C371-L403 HydrophobicContact CB-CD1 4.12Å; C371-L403 HydrophobicContact CB-CG 3.86Å
372	N	97.8	Very high	96.9	Very high	21 Å²	21	13.9 Å²	13.9	11%	0.112	8%	0.083	C	C	.	.	H	α-helix	trans	-72.5	-45.5	179.9	-76.4	-68.5	0	0	0	111.4	T368 L369 G370 A374 R375 T376 M598	T368-N372 PolarHBondContact O-N 2.76Å; T368-N372 PolarHBondContact O-ND2 3.47Å; L369-N372 PolarHBondContact O-N 3.1Å; L369-N372 VanDerWaalsContact O-N 3.08Å; G370-N372 PolarHBondContact O-N 2.98Å; N372-A374 VanDerWaalsContact C-N 3.33Å; N372-A374 PolarHBondContact O-N 3.06Å; N372-R375 PolarHBondContact O-N 3.28Å; N372-T376 PolarHBondContact O-N 2.9Å; N372-T376 PolarHBondContact O-OG1 2.96Å; N372-T376 VanDerWaalsContact O-OG1 3.13Å; N372-M598 WeakPolarHBondContact OD1-CG 3.21Å
373	V	98.6	Very high	96.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.1	-48.4	175.1	168.7	0	0	0	0	110.4	L363 L369 R375 T376 L377 F475 L477 A604 V605	L363-V373 HydrophobicContact CD2-CG1 4.16Å; L363-V373 HydrophobicContact CG-CG1 4.32Å; L369-V373 WeakPolarHBondContact O-CB 3.47Å; L369-V373 WeakPolarHBondContact O-CG2 3.39Å; L369-V373 PolarHBondContact O-N 2.9Å; V373-R375 PolarHBondContact O-N 3.04Å; V373-T376 PolarHBondContact O-N 3.5Å; V373-L377 HydrophobicContact CG1-CD1 3.77Å; V373-L377 HydrophobicContact CG1-CG 4.16Å; V373-L377 WeakPolarHBondContact O-CB 2.94Å; V373-L377 VanDerWaalsContact O-CG 3.27Å; V373-L377 WeakPolarHBondContact O-CG 3.3Å; V373-L377 PolarHBondContact O-N 3.23Å; V373-F475 HydrophobicContact CG1-CD1 3.93Å; V373-F475 HydrophobicContact CG1-CE1 4.03Å; V373-F475 HydrophobicContact CG1-CG 4.17Å; V373-F475 HydrophobicContact CG1-CZ 4.37Å; V373-L477 HydrophobicContact CB-CD1 3.9Å; V373-L477 HydrophobicContact CG1-CD1 4.08Å; V373-L477 HydrophobicContact CG2-CD1 3.85Å; V373-L477 HydrophobicContact CG2-CD2 4.04Å; V373-A604 HydrophobicContact CG2-CB 4.44Å; V373-V605 HydrophobicContact CB-CG2 4.32Å; V373-V605 HydrophobicContact CG1-CG2 3.8Å
374	A	98.4	Very high	96.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61	-40.8	179.9	0	0	0	0	0	113.5	L363 G370 N372 L377 M378 F387 L403 L424	L363-A374 HydrophobicContact CD2-CB 3.78Å; G370-A374 VanDerWaalsContact O-CB 3.28Å; G370-A374 WeakPolarHBondContact O-CB 3.44Å; G370-A374 PolarHBondContact O-N 3.3Å; N372-A374 VanDerWaalsContact C-N 3.33Å; N372-A374 PolarHBondContact O-N 3.06Å; A374-L377 PolarHBondContact O-N 3.46Å; A374-M378 WeakPolarHBondContact O-CG 3.36Å; A374-M378 PolarHBondContact O-N 3.2Å; A374-F387 HydrophobicContact CB-CE1 4.06Å; A374-F387 HydrophobicContact CB-CE2 4.48Å; A374-F387 HydrophobicContact CB-CZ 3.47Å; A374-F387 VanDerWaalsContact CB-CZ 3.47Å; A374-L403 HydrophobicContact CB-CD1 4.38Å; A374-L424 HydrophobicContact CB-CD1 4.31Å; A374-L424 HydrophobicContact CB-CD2 4.15Å
375	R	97.6	Very high	96.7	Very high	102 Å²	102	18.5 Å²	18.5	39%	0.385	10%	0.104	S	C	.	.	H	α-helix	trans	-64.4	-42.2	175.7	-79.2	-174	170.1	-94	4.7	112	C371 N372 V373 M378 G379 P402 L403	C371-R375 PolarHBondContact O-N 2.63Å; N372-R375 PolarHBondContact O-N 3.28Å; V373-R375 PolarHBondContact O-N 3.04Å; R375-M378 HydrophobicContact CG-CE 4.27Å; R375-M378 PolarHBondContact O-N 3.14Å; R375-G379 PolarHBondContact O-N 3.02Å; R375-G379 VanDerWaalsContact O-N 3.08Å; R375-P402 PolarHBondContact NE-O 3.32Å; R375-P402 PolarHBondContact NH2-O 3.45Å; R375-L403 HydrophobicContact CG-CD2 4.05Å
376	T	97.9	Very high	96.8	Very high	39 Å²	39	18.5 Å²	18.5	24%	0.239	10%	0.102	C	C	.	.	H	α-helix	trans	-68.8	-38.4	177.8	-51.8	0	0	0	0	111.6	N372 V373 M378 G379 W380 V605	N372-T376 PolarHBondContact O-N 2.9Å; N372-T376 PolarHBondContact O-OG1 2.96Å; N372-T376 VanDerWaalsContact O-OG1 3.13Å; V373-T376 PolarHBondContact O-N 3.5Å; T376-M378 PolarHBondContact O-N 2.92Å; T376-G379 WeakPolarHBondContact O-CA 3.42Å; T376-G379 PolarHBondContact O-N 3.46Å; T376-G379 VanDerWaalsContact O-N 3.11Å; T376-W380 PolarHBondContact O-N 3.29Å; T376-W380 VanDerWaalsContact O-N 3.08Å; T376-V605 HydrophobicContact CG2-CB 3.72Å; T376-V605 HydrophobicContact CG2-CG1 3.75Å; T376-V605 HydrophobicContact CG2-CG2 4.13Å
377	L	98.3	Very high	96.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.9	-45.5	173.3	-72.4	172.4	0	0	0	111.8	C361 L363 V373 A374 G379 W380 G381 V382 I385 F475 V605 M608	C361-L377 HydrophobicContact CB-CD1 3.9Å; L363-L377 HydrophobicContact CD1-CD1 3.93Å; L363-L377 HydrophobicContact CD2-CD1 4.38Å; V373-L377 HydrophobicContact CG1-CD1 3.77Å; V373-L377 HydrophobicContact CG1-CG 4.16Å; V373-L377 WeakPolarHBondContact O-CB 2.94Å; V373-L377 VanDerWaalsContact O-CG 3.27Å; V373-L377 WeakPolarHBondContact O-CG 3.3Å; V373-L377 PolarHBondContact O-N 3.23Å; A374-L377 PolarHBondContact O-N 3.46Å; L377-G379 VanDerWaalsContact C-N 3.28Å; L377-G379 PolarHBondContact O-N 2.99Å; L377-W380 CarbonylContact O-C 3.51Å; L377-W380 PolarHBondContact O-N 3.23Å; L377-W380 VanDerWaalsContact O-N 3.14Å; L377-G381 PolarHBondContact O-N 3.33Å; L377-V382 HydrophobicContact CB-CB 4.03Å; L377-V382 HydrophobicContact CB-CG1 4.45Å; L377-V382 HydrophobicContact CB-CG2 4.14Å; L377-V382 HydrophobicContact CD2-CG2 3.91Å; L377-V382 WeakPolarHBondContact O-CB 3.28Å; L377-V382 WeakPolarHBondContact O-CG2 3.13Å; L377-V382 PolarHBondContact O-N 2.83Å; L377-I385 HydrophobicContact CB-CD1 3.95Å; L377-I385 HydrophobicContact CD1-CD1 4.38Å; L377-F475 HydrophobicContact CD1-CE2 4.33Å; L377-F475 HydrophobicContact CD2-CE2 4.36Å; L377-F475 HydrophobicContact CD2-CZ 4.28Å; L377-V605 HydrophobicContact CD2-CB 4.47Å; L377-V605 HydrophobicContact CD2-CG1 3.8Å; L377-V605 HydrophobicContact CD2-CG2 3.92Å; L377-V605 HydrophobicContact CG-CG1 4.31Å; L377-V605 HydrophobicContact CG-CG2 3.83Å; L377-M608 HydrophobicContact CD2-CE 3.54Å; L377-M608 HydrophobicContact CD2-SD 3.85Å
378	M	95.3	Very high	97.1	Very high	19 Å²	19	18 Å²	18	9%	0.094	10%	0.097	C	C	.	.	H	α-helix	trans	-61	-38	173.8	-73.3	-167.6	-56.3	0	0	112.2	A374 R375 T376 W380 G381 I385 L424 I427 F428	A374-M378 WeakPolarHBondContact O-CG 3.36Å; A374-M378 PolarHBondContact O-N 3.2Å; R375-M378 HydrophobicContact CG-CE 4.27Å; R375-M378 PolarHBondContact O-N 3.14Å; T376-M378 PolarHBondContact O-N 2.92Å; M378-W380 PolarHBondContact O-N 3.37Å; M378-G381 PolarHBondContact O-N 2.99Å; M378-I385 HydrophobicContact CG-CD1 4.16Å; M378-L424 HydrophobicContact CE-CD2 3.58Å; M378-L424 HydrophobicContact SD-CB 4.23Å; M378-L424 HydrophobicContact SD-CD2 3.71Å; M378-L424 HydrophobicContact SD-CG 4.41Å; M378-I427 HydrophobicContact CE-CB 4.16Å; M378-I427 HydrophobicContact CE-CD1 4.02Å; M378-I427 HydrophobicContact CE-CG2 3.67Å; M378-I427 HydrophobicContact SD-CG2 4.27Å; M378-F428 HydrophobicContact SD-CB 4.29Å
379	G	95.3	Very high	97.3	Very high	50 Å²	50	18.4 Å²	18.4	52%	0.515	10%	0.098	S	C	.	.	H	α-helix	trans	-59.4	-35.5	175.1	0	0	0	0	0	112.8	L340 R375 T376 L377 G381	L340-G379 WeakPolarHBondContact CD2-O 3.44Å; R375-G379 PolarHBondContact O-N 3.02Å; R375-G379 VanDerWaalsContact O-N 3.08Å; T376-G379 WeakPolarHBondContact O-CA 3.42Å; T376-G379 PolarHBondContact O-N 3.46Å; T376-G379 VanDerWaalsContact O-N 3.11Å; L377-G379 VanDerWaalsContact C-N 3.28Å; L377-G379 PolarHBondContact O-N 2.99Å; G379-G381 VanDerWaalsContact C-N 3.27Å; G379-G381 PolarHBondContact O-N 3.34Å
380	W	96.1	Very high	97.2	Very high	20 Å²	20	22.4 Å²	22.4	8%	0.076	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	2.9	173	-87.6	108.7	0	0	0	114.6	L340 M343 L351 V356 T376 L377 M378 E606 V609 L636	L340-W380 WeakPolarHBondContact CD1-O 3.42Å; L340-W380 HydrophobicContact CD2-CE3 4.24Å; M343-W380 HydrophobicContact CE-CH2 3.77Å; M343-W380 HydrophobicContact CE-CZ2 4.37Å; M343-W380 HydrophobicContact CE-CZ3 4.15Å; L351-W380 HydrophobicContact CD1-CZ3 4.38Å; L351-W380 HydrophobicContact CD2-CZ3 4.12Å; V356-W380 HydrophobicContact CG1-CB 3.94Å; T376-W380 PolarHBondContact O-N 3.29Å; T376-W380 VanDerWaalsContact O-N 3.08Å; L377-W380 CarbonylContact O-C 3.51Å; L377-W380 PolarHBondContact O-N 3.23Å; L377-W380 VanDerWaalsContact O-N 3.14Å; M378-W380 PolarHBondContact O-N 3.37Å; W380-E606 PolarHBondContact NE1-OE1 2.84Å; W380-V609 HydrophobicContact CD2-CG1 4.3Å; W380-V609 HydrophobicContact CD2-CG2 3.97Å; W380-V609 HydrophobicContact CE3-CG1 4.23Å; W380-V609 HydrophobicContact CG-CG2 3.94Å; W380-V609 HydrophobicContact CH2-CG1 4.13Å; W380-V609 HydrophobicContact CZ2-CG1 4.2Å; W380-V609 HydrophobicContact CZ3-CG1 4.15Å; W380-L636 HydrophobicContact CH2-CD1 4.23Å
381	G	95.1	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	7.7	176.3	0	0	0	0	0	114.9	L377 M378 G379 R383	L377-G381 PolarHBondContact O-N 3.33Å; M378-G381 PolarHBondContact O-N 2.99Å; G379-G381 VanDerWaalsContact C-N 3.27Å; G379-G381 PolarHBondContact O-N 3.34Å; G381-R383 WeakPolarHBondContact O-CD 3.35Å; G381-R383 PolarHBondContact O-N 3.18Å
382	V	97.2	Very high	97	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.			trans	-58.5	126.4	176.5	177.3	0	0	0	0	109.7	V356 L377 I385 M608	V356-V382 HydrophobicContact CG1-CG2 3.96Å; L377-V382 HydrophobicContact CB-CB 4.03Å; L377-V382 HydrophobicContact CB-CG1 4.45Å; L377-V382 HydrophobicContact CB-CG2 4.14Å; L377-V382 HydrophobicContact CD2-CG2 3.91Å; L377-V382 WeakPolarHBondContact O-CB 3.28Å; L377-V382 WeakPolarHBondContact O-CG2 3.13Å; L377-V382 PolarHBondContact O-N 2.83Å; V382-I385 HydrophobicContact CG1-CG1 4.08Å; V382-M608 HydrophobicContact CG2-CE 4.45Å
383	R	95.3	Very high	96.9	Very high	30 Å²	30	29.8 Å²	29.8	11%	0.113	16%	0.158	C	C	.	.			trans	-96.2	-29.9	-176.2	-58	-54.1	-164.2	-146.6	3.3	113.9	D337 V357 G381 F428 V431 S432	D337-R383 VanDerWaalsContact CG-NH2 3.3Å; D337-R383 IonicContact OD1-CZ 3.39Å; D337-R383 IonicContact OD1-NH1 2.82Å; D337-R383 IonicContact OD1-NH2 2.7Å; D337-R383 PolarHBondContact OD1-NH2 2.9Å; D337-R383 IonicContact OD2-NH2 3.75Å; D337-R383 PolarHBondContact OD2-NH2 3.13Å; V357-R383 HydrophobicContact CG1-CG 3.86Å; V357-R383 PolarHBondContact O-N 3.24Å; G381-R383 WeakPolarHBondContact O-CD 3.35Å; G381-R383 PolarHBondContact O-N 3.18Å; R383-F428 VanDerWaalsContact CZ-CE1 3.48Å; R383-V431 WeakPolarHBondContact O-CG2 3.3Å; R383-S432 CarbonylContact O-C 3.56Å; R383-S432 WeakPolarHBondContact O-CA 3.44Å; R383-S432 PolarHBondContact O-N 3.45Å; R383-S432 VanDerWaalsContact O-O 3.11Å
384	H	98.4	Very high	96.8	Very high	68 Å²	68	32.4 Å²	32.4	32%	0.315	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	106.5	-171.5	-63.6	-71.2	0	0	0	111.1	K360 C361 S432	K360-H384 HydrophobicContact CB-CB 4.21Å; K360-H384 HydrophobicContact CG-CB 3.81Å; C361-H384 PolarHBondContact N-O 3.25Å; H384-S432 WeakPolarHBondContact CA-O 3.47Å; H384-S432 WeakPolarHBondContact ND1-CB 3.4Å; H384-S432 PolarHBondContact ND1-OG 2.88Å
385	I	98.7	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.3	-176.4	-58.8	178.6	0	0	0	110	L363 L377 M378 V382 F387 L424 V431 S432 A433 E434	L363-I385 HydrophobicContact CD1-CG2 3.93Å; L363-I385 HydrophobicContact CD2-CG2 3.89Å; L377-I385 HydrophobicContact CB-CD1 3.95Å; L377-I385 HydrophobicContact CD1-CD1 4.38Å; M378-I385 HydrophobicContact CG-CD1 4.16Å; V382-I385 HydrophobicContact CG1-CG1 4.08Å; I385-F387 HydrophobicContact CG2-CD2 4.36Å; I385-F387 HydrophobicContact CG2-CE2 3.88Å; I385-F387 HydrophobicContact CG2-CZ 4.14Å; I385-L424 HydrophobicContact CB-CD1 4.2Å; I385-L424 HydrophobicContact CD1-CD1 4.07Å; I385-L424 HydrophobicContact CG2-CD1 4.01Å; I385-V431 HydrophobicContact CD1-CG2 4.44Å; I385-S432 PolarHBondContact N-O 3.27Å; I385-S432 VanDerWaalsContact N-O 3.08Å; I385-A433 WeakPolarHBondContact O-CA 3.45Å; I385-E434 PolarHBondContact O-N 3.36Å; I385-E434 VanDerWaalsContact O-N 3.11Å
386	T	98.8	Very high	96.3	Very high	8 Å²	8	37.5 Å²	37.5	5%	0.049	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.4	177.4	-59.4	0	0	0	0	111	C361 L362 L363 E434 Y436 L467 H471	C361-T386 PolarHBondContact O-N 3.48Å; L362-T386 HydrophobicContact CD1-CG2 3.85Å; L363-T386 PolarHBondContact N-O 3.37Å; T386-E434 CarbonylContact C-O 3.12Å; T386-E434 WeakPolarHBondContact CA-O 3.43Å; T386-E434 HydrophobicContact CG2-CB 4.15Å; T386-Y436 HydrophobicContact CG2-CD2 3.62Å; T386-Y436 HydrophobicContact CG2-CE2 3.57Å; T386-L467 HydrophobicContact CG2-CD2 4.17Å; T386-H471 WeakPolarHBondContact CB-NE2 3.27Å; T386-H471 PolarHBondContact OG1-CE1 3.37Å; T386-H471 PolarHBondContact OG1-NE2 3.41Å
387	F	98.6	Very high	96.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	143.7	175.2	-69.2	-84.1	0	0	0	112.4	L363 A366 A374 I385 L403 A417 A420 V421 L424 E434 G435 Y436	L363-F387 HydrophobicContact CB-CD1 3.91Å; L363-F387 HydrophobicContact CB-CE1 4.18Å; L363-F387 HydrophobicContact CD2-CD1 4.09Å; L363-F387 HydrophobicContact CD2-CE1 3.5Å; L363-F387 HydrophobicContact CD2-CZ 3.95Å; A366-F387 HydrophobicContact CB-CD1 3.83Å; A366-F387 HydrophobicContact CB-CE1 4.43Å; A366-F387 HydrophobicContact CB-CG 4.45Å; A374-F387 HydrophobicContact CB-CE1 4.06Å; A374-F387 HydrophobicContact CB-CE2 4.48Å; A374-F387 HydrophobicContact CB-CZ 3.47Å; A374-F387 VanDerWaalsContact CB-CZ 3.47Å; I385-F387 HydrophobicContact CG2-CD2 4.36Å; I385-F387 HydrophobicContact CG2-CE2 3.88Å; I385-F387 HydrophobicContact CG2-CZ 4.14Å; F387-L403 HydrophobicContact CZ-CD1 3.99Å; F387-A417 HydrophobicContact CB-CB 4.28Å; F387-A420 HydrophobicContact CD1-CB 4.38Å; F387-A420 HydrophobicContact CD2-CB 3.85Å; F387-A420 HydrophobicContact CE1-CB 4.26Å; F387-A420 HydrophobicContact CE2-CB 3.71Å; F387-A420 HydrophobicContact CG-CB 4.17Å; F387-A420 HydrophobicContact CZ-CB 3.9Å; F387-V421 HydrophobicContact CD2-CG2 4.38Å; F387-L424 HydrophobicContact CE2-CD1 3.56Å; F387-L424 HydrophobicContact CE2-CG 4.19Å; F387-L424 HydrophobicContact CZ-CD1 4.03Å; F387-E434 PolarHBondContact N-O 2.78Å; F387-G435 WeakPolarHBondContact O-CA 3.48Å; F387-Y436 PolarHBondContact O-N 2.89Å
388	V	98.4	Very high	96	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	119.1	166.5	173.6	0	0	0	0	108.7	L362 L363 L364 G365 M438 I440 L467	L362-V388 HydrophobicContact CD1-CG2 4Å; L363-V388 PolarHBondContact O-N 3.14Å; L364-V388 HydrophobicContact CD2-CB 3.7Å; L364-V388 HydrophobicContact CD2-CG1 4.25Å; L364-V388 HydrophobicContact CD2-CG2 3.76Å; G365-V388 WeakPolarHBondContact CA-O 3.4Å; G365-V388 PolarHBondContact N-O 3.08Å; V388-M438 HydrophobicContact CG1-CG 3.44Å; V388-M438 VanDerWaalsContact CG1-CG 3.44Å; V388-M438 HydrophobicContact CG1-SD 3.94Å; V388-M438 HydrophobicContact CG2-SD 4.26Å; V388-I440 HydrophobicContact CG1-CD1 4.18Å; V388-I440 HydrophobicContact CG1-CG1 4.45Å; V388-L467 HydrophobicContact CG2-CD1 3.64Å
389	D	96.9	Very high	96	Very high	24 Å²	24	42.8 Å²	42.8	13%	0.128	24%	0.238	C	C	.	.			trans	-160.2	137.7	175.9	-162	-58.8	0	0	0	109.5	A366 A391 K416 A417 Y436 N437	A366-D389 WeakPolarHBondContact CA-OD2 3.25Å; A366-D389 HydrophobicContact CB-CB 3.68Å; A366-D389 PolarHBondContact N-OD2 3.37Å; D389-A391 WeakPolarHBondContact OD1-CA 3.19Å; D389-A391 VanDerWaalsContact OD1-CB 3.26Å; D389-A391 WeakPolarHBondContact OD1-CB 3.33Å; D389-A391 PolarHBondContact OD1-N 3.47Å; D389-K416 HydrophobicContact CB-CB 4.27Å; D389-A417 HydrophobicContact CB-CB 4.23Å; D389-Y436 PolarHBondContact N-O 3.28Å; D389-N437 WeakPolarHBondContact O-CA 3.42Å; D389-N437 PolarHBondContact O-OD1 3.05Å
390	N	94.7	Very high	95.8	Very high	87 Å²	87	43.3 Å²	43.3	47%	0.465	22%	0.224	S	C	.	.			trans	-97.1	-9	179.9	-165.9	30	0	0	0	113.5	M438	N390-M438 WeakPolarHBondContact CB-O 3.34Å
391	A	93.9	Very high	95.8	Very high	39 Å²	39	42.9 Å²	42.9	32%	0.322	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-87.3	159.8	-171.2	0	0	0	0	0	112.5	D389 K416	D389-A391 WeakPolarHBondContact OD1-CA 3.19Å; D389-A391 VanDerWaalsContact OD1-CB 3.26Å; D389-A391 WeakPolarHBondContact OD1-CB 3.33Å; D389-A391 PolarHBondContact OD1-N 3.47Å; A391-K416 HydrophobicContact CB-CD 4.11Å; A391-K416 WeakPolarHBondContact O-CB 3.38Å; A391-K416 WeakPolarHBondContact O-CG 3.44Å; A391-K416 PolarHBondContact O-N 2.96Å
392	K	96.3	Very high	95.8	Very high	133 Å²	133	45.1 Å²	45.1	58%	0.578	24%	0.237	S	C	*	.	B	Isolated β-bridge	trans	-99.1	157.3	171	-66.3	-177.2	174.5	-170.2	0	111.2	G412 G413 K414 K416	K392-G412 WeakPolarHBondContact CD-O 3.49Å; K392-G413 WeakPolarHBondContact CD-O 3.35Å; K392-K414 CarbonylContact C-O 3.47Å; K392-K414 VanDerWaalsContact CA-O 3.29Å; K392-K414 WeakPolarHBondContact CA-O 3.27Å; K392-K416 WeakPolarHBondContact O-CE 3.38Å
393	I	96.3	Very high	95.8	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-76	127.2	178.2	-59.5	165.6	0	0	0	109.4	N397 Y404 D408 G413 K414 K416 A419	I393-N397 HydrophobicContact CG2-CB 4.09Å; I393-Y404 HydrophobicContact CD1-CD1 3.39Å; I393-Y404 HydrophobicContact CD1-CD2 4.24Å; I393-Y404 HydrophobicContact CD1-CE1 3.81Å; I393-Y404 HydrophobicContact CD1-CG 3.65Å; I393-Y404 HydrophobicContact CG1-CD1 4.11Å; I393-Y404 HydrophobicContact CG1-CD2 4.1Å; I393-Y404 HydrophobicContact CG1-CE1 4.33Å; I393-Y404 HydrophobicContact CG1-CE2 4.34Å; I393-Y404 HydrophobicContact CG1-CG 4.01Å; I393-Y404 HydrophobicContact CG2-CD2 4.39Å; I393-Y404 HydrophobicContact CG2-CG 4.28Å; I393-D408 HydrophobicContact CD1-CB 3.68Å; I393-D408 HydrophobicContact CG2-CB 4.46Å; I393-G413 WeakPolarHBondContact O-CA 3.43Å; I393-K414 HydrophobicContact CD1-CB 4.31Å; I393-K414 PolarHBondContact N-O 2.95Å; I393-K416 HydrophobicContact CG1-CG 3.65Å; I393-A419 HydrophobicContact CD1-CB 3.54Å
394	S	94.8	Very high	95.9	Very high	54 Å²	54	44.1 Å²	44.1	38%	0.378	23%	0.234	S	C	.	.			trans	-108	162.3	174.3	73.7	0	0	0	0	112	S396 N397 P398 C409	S394-S396 PolarHBondContact O-N 3.25Å; S394-N397 PolarHBondContact N-OD1 3.35Å; S394-N397 VanDerWaalsContact O-CB 3.23Å; S394-N397 WeakPolarHBondContact O-CB 3.37Å; S394-N397 PolarHBondContact O-N 3.06Å; S394-N397 PolarHBondContact OG-ND2 2.71Å; S394-N397 PolarHBondContact OG-OD1 3.34Å; S394-P398 WeakPolarHBondContact O-CD 3.36Å; S394-C409 PolarHBondContact O-SG 3.46Å; S394-C409 VanDerWaalsContact O-SG 3.4Å
395	Y	94.5	Very high	95.9	Very high	156 Å²	156	45.1 Å²	45.1	61%	0.612	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.2	-177	-71.5	-71	0	0	0	115.2	N397 F406 C409 L410	Y395-N397 VanDerWaalsContact C-N 3.33Å; Y395-F406 HydrophobicContact CD1-CD2 4.39Å; Y395-F406 AromaticContact CD1-CE2 3.97Å; Y395-F406 HydrophobicContact CD1-CE2 3.97Å; Y395-F406 AromaticContact CE1-CE2 3.81Å; Y395-F406 HydrophobicContact CE1-CE2 3.81Å; Y395-F406 HydrophobicContact CE1-CZ 4.33Å; Y395-C409 HydrophobicContact CD1-CB 3.71Å; Y395-C409 HydrophobicContact CE1-CB 3.82Å; Y395-C409 HydrophobicContact CG-CB 4.26Å; Y395-L410 HydrophobicContact CE1-CD2 4.35Å
396	S	92.3	Very high	95.8	Very high	54 Å²	54	51.7 Å²	51.7	38%	0.378	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-4.3	178.2	73.4	0	0	0	0	114	S394 R400	S394-S396 PolarHBondContact O-N 3.25Å; S396-R400 PolarHBondContact O-NE 2.75Å; S396-R400 PolarHBondContact O-NH2 2.77Å; S396-R400 PolarHBondContact OG-NH2 3.14Å; S396-R400 VanDerWaalsContact OG-NH2 3.11Å
397	N	94.7	Very high	95.7	Very high	12 Å²	12	55.5 Å²	55.5	6%	0.064	29%	0.285	C	S	.	.	S	Bend	trans	-79.6	-48.8	-175	-66.8	163.2	0	0	0	113.6	I393 S394 Y395 V399 R400 Q401 K416	I393-N397 HydrophobicContact CG2-CB 4.09Å; S394-N397 PolarHBondContact N-OD1 3.35Å; S394-N397 VanDerWaalsContact O-CB 3.23Å; S394-N397 WeakPolarHBondContact O-CB 3.37Å; S394-N397 PolarHBondContact O-N 3.06Å; S394-N397 PolarHBondContact OG-ND2 2.71Å; S394-N397 PolarHBondContact OG-OD1 3.34Å; Y395-N397 VanDerWaalsContact C-N 3.33Å; N397-V399 PolarHBondContact O-N 3.04Å; N397-R400 PolarHBondContact O-N 2.87Å; N397-Q401 HydrophobicContact CB-CG 4.49Å; N397-Q401 PolarHBondContact ND2-NE2 3.48Å; N397-Q401 WeakPolarHBondContact O-CB 3.44Å; N397-Q401 PolarHBondContact O-N 3.36Å; N397-K416 WeakPolarHBondContact OD1-CE 3.42Å
398	P	95.5	Very high	95.6	Very high	29 Å²	29	55.7 Å²	55.7	19%	0.188	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-36.8	-172.4	-32.5	38.4	0	0	0	115.2	S394 R400 Y404 C409	S394-P398 WeakPolarHBondContact O-CD 3.36Å; P398-R400 PolarHBondContact O-N 3.39Å; P398-Y404 WeakPolarHBondContact CB-O 3.12Å; P398-C409 VanDerWaalsContact CG-SG 3.54Å
399	V	93.7	Very high	95.4	Very high	128 Å²	128	55.8 Å²	55.8	78%	0.776	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.3	-179.5	-60.9	0	0	0	0	114.4	N397	N397-V399 PolarHBondContact O-N 3.04Å
400	R	91.9	Very high	95.3	Very high	61 Å²	61	58.6 Å²	58.6	23%	0.23	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-23.8	179.1	-67.4	179.2	-67	-174.1	1.5	113.1	T368 S396 N397 P398 P402 T590	T368-R400 HydrophobicContact CG2-CB 4.33Å; T368-R400 VanDerWaalsContact CG2-O 3.25Å; T368-R400 WeakPolarHBondContact CG2-O 3.37Å; S396-R400 PolarHBondContact O-NE 2.75Å; S396-R400 PolarHBondContact O-NH2 2.77Å; S396-R400 PolarHBondContact OG-NH2 3.14Å; S396-R400 VanDerWaalsContact OG-NH2 3.11Å; N397-R400 PolarHBondContact O-N 2.87Å; P398-R400 PolarHBondContact O-N 3.39Å; R400-P402 WeakPolarHBondContact O-CD 3.21Å; R400-T590 PolarHBondContact NH1-O 2.79Å; R400-T590 VanDerWaalsContact NH2-CG2 3.32Å
401	Q	95.2	Very high	95.1	Very high	10 Å²	10	58.8 Å²	58.8	5%	0.047	32%	0.323	C	S	.	.	S	Bend	trans	-113.4	90.7	-173.9	-68.4	170.3	20	0	0	108.2	N397 L403 Y404	N397-Q401 HydrophobicContact CB-CG 4.49Å; N397-Q401 PolarHBondContact ND2-NE2 3.48Å; N397-Q401 WeakPolarHBondContact O-CB 3.44Å; N397-Q401 PolarHBondContact O-N 3.36Å; Q401-L403 PolarHBondContact O-N 3.36Å; Q401-Y404 HydrophobicContact CB-CD2 3.44Å; Q401-Y404 VanDerWaalsContact CB-CD2 3.44Å; Q401-Y404 HydrophobicContact CB-CE2 3.71Å; Q401-Y404 HydrophobicContact CG-CD2 4.37Å; Q401-Y404 HydrophobicContact CG-CE2 4.32Å; Q401-Y404 PolarHBondContact O-N 2.87Å
402	P	95.2	Very high	95	Very high	47 Å²	47	59.9 Å²	59.9	31%	0.305	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	12.8	-164.4	28.9	-39.5	0	0	0	115.9	C371 R375 R400	C371-P402 VanDerWaalsContact CB-CD 3.49Å; C371-P402 HydrophobicContact CB-CG 3.89Å; R375-P402 PolarHBondContact NE-O 3.32Å; R375-P402 PolarHBondContact NH2-O 3.45Å; R400-P402 WeakPolarHBondContact O-CD 3.21Å
403	L	97.7	Very high	94.9	Very high	2 Å²	2	54 Å²	54	1%	0.01	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-11.1	170.5	-64	-177.7	0	0	0	112.9	C371 A374 R375 F387 Q401 A420 R423 L424 I427	C371-L403 HydrophobicContact CB-CB 4.39Å; C371-L403 HydrophobicContact CB-CD1 4.12Å; C371-L403 HydrophobicContact CB-CG 3.86Å; A374-L403 HydrophobicContact CB-CD1 4.38Å; R375-L403 HydrophobicContact CG-CD2 4.05Å; F387-L403 HydrophobicContact CZ-CD1 3.99Å; Q401-L403 PolarHBondContact O-N 3.36Å; L403-A420 HydrophobicContact CD1-CB 3.92Å; L403-R423 HydrophobicContact CB-CB 4.26Å; L403-R423 HydrophobicContact CB-CG 4.34Å; L403-R423 HydrophobicContact CD2-CB 4.45Å; L403-R423 HydrophobicContact CD2-CG 4.26Å; L403-R423 VanDerWaalsContact O-CB 3.31Å; L403-R423 WeakPolarHBondContact O-CB 3.47Å; L403-R423 WeakPolarHBondContact O-CG 3.45Å; L403-R423 PolarHBondContact O-NE 2.87Å; L403-L424 HydrophobicContact CD1-CD2 4.05Å; L403-L424 HydrophobicContact CD2-CD2 3.73Å; L403-I427 HydrophobicContact CD2-CD1 3.98Å
404	Y	97.8	Very high	94.9	Very high	8 Å²	8	58.1 Å²	58.1	3%	0.031	33%	0.333	C	S	.	.			trans	-110.4	143.2	-174.1	-48.9	-44.5	0	0	0	111.2	A366 I393 P398 Q401 K416 A419 A420	A366-Y404 WeakPolarHBondContact CB-OH 3.47Å; A366-Y404 WeakPolarHBondContact O-CE2 3.11Å; A366-Y404 PolarHBondContact O-OH 2.93Å; I393-Y404 HydrophobicContact CD1-CD1 3.39Å; I393-Y404 HydrophobicContact CD1-CD2 4.24Å; I393-Y404 HydrophobicContact CD1-CE1 3.81Å; I393-Y404 HydrophobicContact CD1-CG 3.65Å; I393-Y404 HydrophobicContact CG1-CD1 4.11Å; I393-Y404 HydrophobicContact CG1-CD2 4.1Å; I393-Y404 HydrophobicContact CG1-CE1 4.33Å; I393-Y404 HydrophobicContact CG1-CE2 4.34Å; I393-Y404 HydrophobicContact CG1-CG 4.01Å; I393-Y404 HydrophobicContact CG2-CD2 4.39Å; I393-Y404 HydrophobicContact CG2-CG 4.28Å; P398-Y404 WeakPolarHBondContact CB-O 3.12Å; Q401-Y404 HydrophobicContact CB-CD2 3.44Å; Q401-Y404 VanDerWaalsContact CB-CD2 3.44Å; Q401-Y404 HydrophobicContact CB-CE2 3.71Å; Q401-Y404 HydrophobicContact CG-CD2 4.37Å; Q401-Y404 HydrophobicContact CG-CE2 4.32Å; Q401-Y404 PolarHBondContact O-N 2.87Å; Y404-K416 HydrophobicContact CE2-CD 4.4Å; Y404-K416 HydrophobicContact CE2-CG 4.16Å; Y404-K416 WeakPolarHBondContact OH-CB 3.28Å; Y404-K416 PolarHBondContact OH-O 3.28Å; Y404-A419 HydrophobicContact CD1-CB 4.2Å; Y404-A419 HydrophobicContact CE1-CB 4.07Å; Y404-A420 HydrophobicContact CE1-CB 4.19Å
405	E	97.1	Very high	95	Very high	89 Å²	89	56.5 Å²	56.5	42%	0.416	32%	0.322	S	S	.	.			trans	-111.7	168.4	175.3	-73.8	170.6	-170	0	0	110.6	E407 D408 R423	E405-E407 HydrophobicContact CB-CG 3.91Å; E405-E407 PolarHBondContact O-N 3.32Å; E405-D408 PolarHBondContact N-OD2 2.76Å; E405-D408 WeakPolarHBondContact O-CB 3.24Å; E405-D408 PolarHBondContact O-N 3.05Å; E405-R423 IonicContact OE1-CZ 2.63Å; E405-R423 IonicContact OE1-NH1 3.94Å; E405-R423 PolarHBondContact OE1-NH1 3Å; E405-R423 IonicContact OE1-NH2 3.86Å; E405-R423 IonicContact OE2-CZ 3.97Å; E405-R423 IonicContact OE2-NH1 3.31Å; E405-R423 PolarHBondContact OE2-NH1 3.36Å; E405-R423 IonicContact OE2-NH2 3.51Å; E405-R423 PolarHBondContact OE2-NH2 2.86Å
406	F	96.9	Very high	95.2	Very high	137 Å²	137	50.2 Å²	50.2	60%	0.601	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-55.1	-38.2	178.5	172.6	-100.1	0	0	0	112.5	Y395 D408 C409 L410	Y395-F406 HydrophobicContact CD1-CD2 4.39Å; Y395-F406 AromaticContact CD1-CE2 3.97Å; Y395-F406 HydrophobicContact CD1-CE2 3.97Å; Y395-F406 AromaticContact CE1-CE2 3.81Å; Y395-F406 HydrophobicContact CE1-CE2 3.81Å; Y395-F406 HydrophobicContact CE1-CZ 4.33Å; F406-D408 PolarHBondContact O-N 2.92Å; F406-C409 WeakPolarHBondContact O-CB 3.45Å; F406-C409 PolarHBondContact O-N 2.77Å; F406-C409 VanDerWaalsContact O-N 3.15Å; F406-L410 HydrophobicContact CE1-CD2 3.97Å; F406-L410 HydrophobicContact CZ-CD2 4Å
407	E	96.6	Very high	95.4	Very high	89 Å²	89	47.6 Å²	47.6	42%	0.416	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-58.9	-29.3	177.6	57.1	171.1	-157.6	0	0	113.6	E405 C409 L410 R423	E405-E407 HydrophobicContact CB-CG 3.91Å; E405-E407 PolarHBondContact O-N 3.32Å; E407-C409 PolarHBondContact O-N 3.36Å; E407-L410 PolarHBondContact O-N 3.09Å; E407-R423 IonicContact OE1-NH2 2.79Å; E407-R423 PolarHBondContact OE1-NH2 2.92Å
408	D	96.4	Very high	95.5	Very high	4 Å²	4	50 Å²	50	2%	0.021	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-75.8	-13.6	-177.3	-61.8	-47.3	0	0	0	112.4	I393 E405 F406 G413 K414 R423	I393-D408 HydrophobicContact CD1-CB 3.68Å; I393-D408 HydrophobicContact CG2-CB 4.46Å; E405-D408 PolarHBondContact N-OD2 2.76Å; E405-D408 WeakPolarHBondContact O-CB 3.24Å; E405-D408 PolarHBondContact O-N 3.05Å; F406-D408 PolarHBondContact O-N 2.92Å; D408-G413 WeakPolarHBondContact O-CA 3.36Å; D408-K414 HydrophobicContact CB-CD 4.36Å; D408-K414 PolarHBondContact O-N 3.02Å; D408-K414 WeakPolarHBondContact OD1-CD 3.47Å; D408-K414 WeakPolarHBondContact OD1-CE 3.43Å; D408-K414 IonicContact OD1-NZ 3.78Å; D408-K414 PolarHBondContact OD1-NZ 2.74Å; D408-R423 IonicContact OD1-NH2 2.67Å; D408-R423 IonicContact OD2-NH2 2.71Å; D408-R423 PolarHBondContact OD2-NH2 3.5Å
409	C	95.7	Very high	95.6	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.027	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-84.4	-19.2	175.5	-55.1	0	0	0	0	113.4	S394 Y395 P398 F406 E407 G413	S394-C409 PolarHBondContact O-SG 3.46Å; S394-C409 VanDerWaalsContact O-SG 3.4Å; Y395-C409 HydrophobicContact CD1-CB 3.71Å; Y395-C409 HydrophobicContact CE1-CB 3.82Å; Y395-C409 HydrophobicContact CG-CB 4.26Å; P398-C409 VanDerWaalsContact CG-SG 3.54Å; F406-C409 WeakPolarHBondContact O-CB 3.45Å; F406-C409 PolarHBondContact O-N 2.77Å; F406-C409 VanDerWaalsContact O-N 3.15Å; E407-C409 PolarHBondContact O-N 3.36Å; C409-G413 PolarHBondContact O-N 2.88Å
410	L	93.9	Very high	95.8	Very high	84 Å²	84	42.6 Å²	42.6	44%	0.44	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-69.5	156.7	-172.9	-56.5	180	0	0	0	111.3	Y395 F406 E407 G412 G413	Y395-L410 HydrophobicContact CE1-CD2 4.35Å; F406-L410 HydrophobicContact CE1-CD2 3.97Å; F406-L410 HydrophobicContact CZ-CD2 4Å; E407-L410 PolarHBondContact O-N 3.09Å; L410-G412 VanDerWaalsContact C-N 3.29Å; L410-G412 PolarHBondContact O-N 3.5Å; L410-G413 PolarHBondContact O-N 3.21Å
411	G	91.3	Very high	96	Very high	90 Å²	90	40.7 Å²	40.7	93%	0.928	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	64.8	28.7	176.3	0	0	0	0	0	114.7
412	G	90.3	Very high	96.1	Very high	62 Å²	62	44.4 Å²	44.4	64%	0.639	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	85.9	10.3	-177.7	0	0	0	0	0	114.5	K392 L410	K392-G412 WeakPolarHBondContact CD-O 3.49Å; L410-G412 VanDerWaalsContact C-N 3.29Å; L410-G412 PolarHBondContact O-N 3.5Å
413	G	94.5	Very high	96.2	Very high	10 Å²	10	43.2 Å²	43.2	10%	0.103	25%	0.254	C	S	.	.			trans	83.1	136	174.4	0	0	0	0	0	113.7	K392 I393 D408 C409 L410	K392-G413 WeakPolarHBondContact CD-O 3.35Å; I393-G413 WeakPolarHBondContact O-CA 3.43Å; D408-G413 WeakPolarHBondContact O-CA 3.36Å; C409-G413 PolarHBondContact O-N 2.88Å; L410-G413 PolarHBondContact O-N 3.21Å
414	K	96.7	Very high	96.2	Very high	90 Å²	90	43.1 Å²	43.1	39%	0.391	25%	0.254	S	S	.	.			trans	-71.3	158	169.7	-62.7	180	-172.3	165	0	110.7	K392 I393 D408 K416 A419	K392-K414 CarbonylContact C-O 3.47Å; K392-K414 VanDerWaalsContact CA-O 3.29Å; K392-K414 WeakPolarHBondContact CA-O 3.27Å; I393-K414 HydrophobicContact CD1-CB 4.31Å; I393-K414 PolarHBondContact N-O 2.95Å; D408-K414 HydrophobicContact CB-CD 4.36Å; D408-K414 PolarHBondContact O-N 3.02Å; D408-K414 WeakPolarHBondContact OD1-CD 3.47Å; D408-K414 WeakPolarHBondContact OD1-CE 3.43Å; D408-K414 IonicContact OD1-NZ 3.78Å; D408-K414 PolarHBondContact OD1-NZ 2.74Å; K414-K416 PolarHBondContact O-N 3.29Å; K414-A419 HydrophobicContact CB-CB 4.27Å
415	S	97.6	Very high	96	Very high	21 Å²	21	45.7 Å²	45.7	15%	0.147	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-63.3	133.6	168.8	170.3	0	0	0	0	109.4	T418 A419 N437	S415-T418 PolarHBondContact O-OG1 2.7Å; S415-T418 VanDerWaalsContact O-OG1 3.13Å; S415-A419 VanDerWaalsContact O-CB 3.26Å; S415-A419 WeakPolarHBondContact O-CB 3.39Å; S415-A419 PolarHBondContact O-N 2.82Å; S415-N437 PolarHBondContact OG-OD1 3.43Å
416	K	97.6	Very high	95.9	Very high	23 Å²	23	47.8 Å²	47.8	10%	0.1	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-47.4	-177.9	-77.3	-175.4	-176.3	171.8	0	112	A366 D389 A391 K392 I393 N397 Y404 K414 T418 A419 A420	A366-K416 HydrophobicContact CB-CB 4.06Å; D389-K416 HydrophobicContact CB-CB 4.27Å; A391-K416 HydrophobicContact CB-CD 4.11Å; A391-K416 WeakPolarHBondContact O-CB 3.38Å; A391-K416 WeakPolarHBondContact O-CG 3.44Å; A391-K416 PolarHBondContact O-N 2.96Å; K392-K416 WeakPolarHBondContact O-CE 3.38Å; I393-K416 HydrophobicContact CG1-CG 3.65Å; N397-K416 WeakPolarHBondContact OD1-CE 3.42Å; Y404-K416 HydrophobicContact CE2-CD 4.4Å; Y404-K416 HydrophobicContact CE2-CG 4.16Å; Y404-K416 WeakPolarHBondContact OH-CB 3.28Å; Y404-K416 PolarHBondContact OH-O 3.28Å; K414-K416 PolarHBondContact O-N 3.29Å; K416-T418 PolarHBondContact O-N 2.83Å; K416-A419 PolarHBondContact O-N 2.88Å; K416-A420 WeakPolarHBondContact O-CB 3.38Å; K416-A420 PolarHBondContact O-N 3.39Å
417	A	97.1	Very high	95.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-46.2	-177.1	0	0	0	0	0	111.8	F387 D389 V421	F387-A417 HydrophobicContact CB-CB 4.28Å; D389-A417 HydrophobicContact CB-CB 4.23Å; A417-V421 WeakPolarHBondContact O-CG2 3.19Å; A417-V421 PolarHBondContact O-N 3.05Å
418	T	96.4	Very high	95.6	Very high	62 Å²	62	41.1 Å²	41.1	38%	0.38	25%	0.25	S	S	.	.	H	α-helix	trans	-72	-41.1	-180	59.2	0	0	0	0	112.2	S415 K416 A420 V421 D422	S415-T418 PolarHBondContact O-OG1 2.7Å; S415-T418 VanDerWaalsContact O-OG1 3.13Å; K416-T418 PolarHBondContact O-N 2.83Å; T418-A420 VanDerWaalsContact C-N 3.29Å; T418-A420 PolarHBondContact O-N 3.01Å; T418-V421 WeakPolarHBondContact O-CB 3.27Å; T418-V421 PolarHBondContact O-N 3.14Å; T418-D422 PolarHBondContact O-N 3.13Å; T418-D422 VanDerWaalsContact O-N 3.11Å
419	A	97.4	Very high	95.2	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-65.4	-33.6	178.3	0	0	0	0	0	112.3	I393 Y404 K414 S415 K416 D422 R423	I393-A419 HydrophobicContact CD1-CB 3.54Å; Y404-A419 HydrophobicContact CD1-CB 4.2Å; Y404-A419 HydrophobicContact CE1-CB 4.07Å; K414-A419 HydrophobicContact CB-CB 4.27Å; S415-A419 VanDerWaalsContact O-CB 3.26Å; S415-A419 WeakPolarHBondContact O-CB 3.39Å; S415-A419 PolarHBondContact O-N 2.82Å; K416-A419 PolarHBondContact O-N 2.88Å; A419-D422 PolarHBondContact O-N 3.08Å; A419-R423 PolarHBondContact O-N 2.67Å
420	A	98	Very high	94.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-43.9	174.4	0	0	0	0	0	111.3	F387 L403 Y404 K416 T418 R423 L424	F387-A420 HydrophobicContact CD1-CB 4.38Å; F387-A420 HydrophobicContact CD2-CB 3.85Å; F387-A420 HydrophobicContact CE1-CB 4.26Å; F387-A420 HydrophobicContact CE2-CB 3.71Å; F387-A420 HydrophobicContact CG-CB 4.17Å; F387-A420 HydrophobicContact CZ-CB 3.9Å; L403-A420 HydrophobicContact CD1-CB 3.92Å; Y404-A420 HydrophobicContact CE1-CB 4.19Å; K416-A420 WeakPolarHBondContact O-CB 3.38Å; K416-A420 PolarHBondContact O-N 3.39Å; T418-A420 VanDerWaalsContact C-N 3.29Å; T418-A420 PolarHBondContact O-N 3.01Å; A420-R423 PolarHBondContact O-N 3.35Å; A420-L424 WeakPolarHBondContact O-CG 3.32Å; A420-L424 PolarHBondContact O-N 3.44Å
421	V	97.6	Very high	94.9	Very high	21 Å²	21	40.8 Å²	40.8	13%	0.127	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-48.4	175.4	172.4	0	0	0	0	111.6	F387 A417 T418 R423 L424 T425 A433 E434	F387-V421 HydrophobicContact CD2-CG2 4.38Å; A417-V421 WeakPolarHBondContact O-CG2 3.19Å; A417-V421 PolarHBondContact O-N 3.05Å; T418-V421 WeakPolarHBondContact O-CB 3.27Å; T418-V421 PolarHBondContact O-N 3.14Å; V421-R423 PolarHBondContact O-N 3.05Å; V421-L424 PolarHBondContact O-N 2.99Å; V421-T425 WeakPolarHBondContact O-CB 3.15Å; V421-T425 PolarHBondContact O-N 2.84Å; V421-T425 PolarHBondContact O-OG1 3.35Å; V421-A433 HydrophobicContact CB-CB 4.4Å; V421-A433 HydrophobicContact CG1-CB 4.02Å; V421-A433 WeakPolarHBondContact CG1-O 3.33Å; V421-A433 HydrophobicContact CG2-CB 4.23Å; V421-E434 WeakPolarHBondContact CG2-O 3.34Å
422	D	96.6	Very high	95.2	Very high	87 Å²	87	39.2 Å²	39.2	47%	0.465	23%	0.231	S	C	.	.	H	α-helix	trans	-57.7	-42.1	177.7	-70.7	-18.8	0	0	0	110.7	T418 A419 K426	T418-D422 PolarHBondContact O-N 3.13Å; T418-D422 VanDerWaalsContact O-N 3.11Å; A419-D422 PolarHBondContact O-N 3.08Å; D422-K426 VanDerWaalsContact O-CG 3.3Å; D422-K426 WeakPolarHBondContact O-CG 3.18Å; D422-K426 PolarHBondContact O-N 2.94Å
423	R	97	Very high	95.5	Very high	22 Å²	22	37.1 Å²	37.1	8%	0.083	21%	0.208	C	C	.	.	H	α-helix	trans	-71.7	-41.4	-179.5	-161.6	68.1	54.5	-179	-3	112.7	L403 E405 E407 D408 A419 A420 V421 T425 K426 I427	L403-R423 HydrophobicContact CB-CB 4.26Å; L403-R423 HydrophobicContact CB-CG 4.34Å; L403-R423 HydrophobicContact CD2-CB 4.45Å; L403-R423 HydrophobicContact CD2-CG 4.26Å; L403-R423 VanDerWaalsContact O-CB 3.31Å; L403-R423 WeakPolarHBondContact O-CB 3.47Å; L403-R423 WeakPolarHBondContact O-CG 3.45Å; L403-R423 PolarHBondContact O-NE 2.87Å; E405-R423 IonicContact OE1-CZ 2.63Å; E405-R423 IonicContact OE1-NH1 3.94Å; E405-R423 PolarHBondContact OE1-NH1 3Å; E405-R423 IonicContact OE1-NH2 3.86Å; E405-R423 IonicContact OE2-CZ 3.97Å; E405-R423 IonicContact OE2-NH1 3.31Å; E405-R423 PolarHBondContact OE2-NH1 3.36Å; E405-R423 IonicContact OE2-NH2 3.51Å; E405-R423 PolarHBondContact OE2-NH2 2.86Å; E407-R423 IonicContact OE1-NH2 2.79Å; E407-R423 PolarHBondContact OE1-NH2 2.92Å; D408-R423 IonicContact OD1-NH2 2.67Å; D408-R423 IonicContact OD2-NH2 2.71Å; D408-R423 PolarHBondContact OD2-NH2 3.5Å; A419-R423 PolarHBondContact O-N 2.67Å; A420-R423 PolarHBondContact O-N 3.35Å; V421-R423 PolarHBondContact O-N 3.05Å; R423-T425 VanDerWaalsContact C-N 3.32Å; R423-T425 PolarHBondContact O-N 3.11Å; R423-K426 PolarHBondContact O-N 3.1Å; R423-I427 HydrophobicContact CG-CD1 4.05Å; R423-I427 VanDerWaalsContact O-CG1 3.26Å; R423-I427 WeakPolarHBondContact O-CG1 3.28Å; R423-I427 PolarHBondContact O-N 3.09Å
424	L	96.8	Very high	95.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.1	-44.9	175.4	-66.3	-167.1	0	0	0	110.9	A374 M378 I385 F387 L403 A420 V421 K426 I427 F428 V431 A433	A374-L424 HydrophobicContact CB-CD1 4.31Å; A374-L424 HydrophobicContact CB-CD2 4.15Å; M378-L424 HydrophobicContact CE-CD2 3.58Å; M378-L424 HydrophobicContact SD-CB 4.23Å; M378-L424 HydrophobicContact SD-CD2 3.71Å; M378-L424 HydrophobicContact SD-CG 4.41Å; I385-L424 HydrophobicContact CB-CD1 4.2Å; I385-L424 HydrophobicContact CD1-CD1 4.07Å; I385-L424 HydrophobicContact CG2-CD1 4.01Å; F387-L424 HydrophobicContact CE2-CD1 3.56Å; F387-L424 HydrophobicContact CE2-CG 4.19Å; F387-L424 HydrophobicContact CZ-CD1 4.03Å; L403-L424 HydrophobicContact CD1-CD2 4.05Å; L403-L424 HydrophobicContact CD2-CD2 3.73Å; A420-L424 WeakPolarHBondContact O-CG 3.32Å; A420-L424 PolarHBondContact O-N 3.44Å; V421-L424 PolarHBondContact O-N 2.99Å; L424-K426 VanDerWaalsContact C-N 3.29Å; L424-K426 PolarHBondContact O-N 3.34Å; L424-I427 PolarHBondContact O-N 3.46Å; L424-I427 VanDerWaalsContact O-N 3.09Å; L424-F428 PolarHBondContact O-N 2.93Å; L424-V431 HydrophobicContact CB-CG1 3.96Å; L424-A433 HydrophobicContact CB-CB 4.45Å; L424-A433 HydrophobicContact CD1-CB 4.2Å
425	T	94.6	Very high	95.7	Very high	62 Å²	62	37.8 Å²	37.8	38%	0.38	22%	0.217	S	C	.	.	H	α-helix	trans	-62.6	-36.7	178.7	-52.3	0	0	0	0	112	V421 R423 F428	V421-T425 WeakPolarHBondContact O-CB 3.15Å; V421-T425 PolarHBondContact O-N 2.84Å; V421-T425 PolarHBondContact O-OG1 3.35Å; R423-T425 VanDerWaalsContact C-N 3.32Å; R423-T425 PolarHBondContact O-N 3.11Å; T425-F428 CarbonylContact O-C 3.29Å
426	K	94.7	Very high	95.7	Very high	133 Å²	133	39.8 Å²	39.8	58%	0.578	22%	0.221	S	C	*	.	H	α-helix	trans	-67.8	-37.9	173	-75.9	176.3	-179	-178.2	0	112.7	D422 R423 L424	D422-K426 VanDerWaalsContact O-CG 3.3Å; D422-K426 WeakPolarHBondContact O-CG 3.18Å; D422-K426 PolarHBondContact O-N 2.94Å; R423-K426 PolarHBondContact O-N 3.1Å; L424-K426 VanDerWaalsContact C-N 3.29Å; L424-K426 PolarHBondContact O-N 3.34Å
427	I	94.8	Very high	95.7	Very high	70 Å²	70	42.8 Å²	42.8	36%	0.359	24%	0.238	S	C	.	.	H	α-helix	trans	-69.9	-47.6	179.1	-68.9	162.4	0	0	0	110.5	M378 L403 R423 L424	M378-I427 HydrophobicContact CE-CB 4.16Å; M378-I427 HydrophobicContact CE-CD1 4.02Å; M378-I427 HydrophobicContact CE-CG2 3.67Å; M378-I427 HydrophobicContact SD-CG2 4.27Å; L403-I427 HydrophobicContact CD2-CD1 3.98Å; R423-I427 HydrophobicContact CG-CD1 4.05Å; R423-I427 VanDerWaalsContact O-CG1 3.26Å; R423-I427 WeakPolarHBondContact O-CG1 3.28Å; R423-I427 PolarHBondContact O-N 3.09Å; L424-I427 PolarHBondContact O-N 3.46Å; L424-I427 VanDerWaalsContact O-N 3.09Å
428	F	93.3	Very high	95.5	Very high	16 Å²	16	43.5 Å²	43.5	7%	0.07	24%	0.242	C	C	.	.			trans	-142.8	105	-178.2	179	-114.9	0	0	0	110.8	E333 V336 M378 R383 L424 T425 G430 V431	E333-F428 HydrophobicContact CB-CE2 4.36Å; E333-F428 HydrophobicContact CB-CZ 4.21Å; E333-F428 HydrophobicContact CG-CE2 3.84Å; E333-F428 HydrophobicContact CG-CZ 3.58Å; V336-F428 HydrophobicContact CB-CE2 4.38Å; V336-F428 HydrophobicContact CG2-CD2 4.2Å; V336-F428 HydrophobicContact CG2-CE2 3.97Å; M378-F428 HydrophobicContact SD-CB 4.29Å; R383-F428 VanDerWaalsContact CZ-CE1 3.48Å; L424-F428 PolarHBondContact O-N 2.93Å; T425-F428 CarbonylContact O-C 3.29Å; F428-G430 VanDerWaalsContact CE1-CA 3.44Å; F428-G430 PolarHBondContact O-N 2.9Å; F428-G430 VanDerWaalsContact O-N 3.08Å; F428-V431 HydrophobicContact CD1-CB 4.11Å; F428-V431 WeakPolarHBondContact O-CG1 3.29Å; F428-V431 PolarHBondContact O-N 3.48Å; F428-V431 VanDerWaalsContact O-N 3.13Å
429	P	87.9	Confident	95.3	Very high	55 Å²	55	43.1 Å²	43.1	36%	0.357	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.4	-175.7	-26.6	35.5	0	0	0	115.7	K329 V431	K329-P429 HydrophobicContact CD-CB 4.12Å; K329-P429 HydrophobicContact CG-CB 4.11Å; K329-P429 HydrophobicContact CG-CG 4.4Å; P429-V431 VanDerWaalsContact C-N 3.28Å
430	G	88.3	Confident	95.1	Very high	18 Å²	18	43.6 Å²	43.6	19%	0.186	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	0.6	178.1	0	0	0	0	0	114.3	E333 F428	E333-G430 WeakPolarHBondContact OE1-CA 3.33Å; F428-G430 VanDerWaalsContact CE1-CA 3.44Å; F428-G430 PolarHBondContact O-N 2.9Å; F428-G430 VanDerWaalsContact O-N 3.08Å
431	V	94.6	Very high	94.8	Very high	13 Å²	13	44.2 Å²	44.2	8%	0.079	25%	0.248	C	C	.	.			trans	-78.1	136.6	173.8	75.9	0	0	0	0	110.6	R383 I385 L424 F428 P429 A433	R383-V431 WeakPolarHBondContact O-CG2 3.3Å; I385-V431 HydrophobicContact CD1-CG2 4.44Å; L424-V431 HydrophobicContact CB-CG1 3.96Å; F428-V431 HydrophobicContact CD1-CB 4.11Å; F428-V431 WeakPolarHBondContact O-CG1 3.29Å; F428-V431 PolarHBondContact O-N 3.48Å; F428-V431 VanDerWaalsContact O-N 3.13Å; P429-V431 VanDerWaalsContact C-N 3.28Å; V431-A433 HydrophobicContact CG1-CB 4.36Å; V431-A433 HydrophobicContact CG2-CB 4.38Å
432	S	96.4	Very high	94.4	Very high	56 Å²	56	45.6 Å²	45.6	39%	0.392	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	95.9	167.8	173.4	0	0	0	0	107.6	R383 H384 I385	R383-S432 CarbonylContact O-C 3.56Å; R383-S432 WeakPolarHBondContact O-CA 3.44Å; R383-S432 PolarHBondContact O-N 3.45Å; R383-S432 VanDerWaalsContact O-O 3.11Å; H384-S432 WeakPolarHBondContact CA-O 3.47Å; H384-S432 WeakPolarHBondContact ND1-CB 3.4Å; H384-S432 PolarHBondContact ND1-OG 2.88Å; I385-S432 PolarHBondContact N-O 3.27Å; I385-S432 VanDerWaalsContact N-O 3.08Å
433	A	97.3	Very high	94	Very high	18 Å²	18	41.5 Å²	41.5	15%	0.149	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.9	-177.3	0	0	0	0	0	112.5	I385 V421 L424 V431	I385-A433 WeakPolarHBondContact O-CA 3.45Å; V421-A433 HydrophobicContact CB-CB 4.4Å; V421-A433 HydrophobicContact CG1-CB 4.02Å; V421-A433 WeakPolarHBondContact CG1-O 3.33Å; V421-A433 HydrophobicContact CG2-CB 4.23Å; L424-A433 HydrophobicContact CB-CB 4.45Å; L424-A433 HydrophobicContact CD1-CB 4.2Å; V431-A433 HydrophobicContact CG1-CB 4.36Å; V431-A433 HydrophobicContact CG2-CB 4.38Å
434	E	98.3	Very high	93.3	Very high	90 Å²	90	41.7 Å²	41.7	42%	0.421	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.2	175.4	-64.8	-175.1	-170.1	0	0	110.9	I385 T386 F387 V421 Y436	I385-E434 PolarHBondContact O-N 3.36Å; I385-E434 VanDerWaalsContact O-N 3.11Å; T386-E434 CarbonylContact C-O 3.12Å; T386-E434 WeakPolarHBondContact CA-O 3.43Å; T386-E434 HydrophobicContact CG2-CB 4.15Å; F387-E434 PolarHBondContact N-O 2.78Å; V421-E434 WeakPolarHBondContact CG2-O 3.34Å; E434-Y436 HydrophobicContact CB-CE2 3.92Å; E434-Y436 WeakPolarHBondContact OE2-CE2 3.17Å; E434-Y436 PolarHBondContact OE2-OH 3.48Å
435	G	97.9	Very high	92.7	Very high	25 Å²	25	44.6 Å²	44.6	26%	0.258	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	122.1	-174.3	0	0	0	0	0	111.4	F387	F387-G435 WeakPolarHBondContact O-CA 3.48Å
436	Y	98	Very high	92.1	Very high	62 Å²	62	44 Å²	44	24%	0.243	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.5	-177.6	-66.1	-95	0	0	0	110.3	T386 F387 D389 E434 M438 L467	T386-Y436 HydrophobicContact CG2-CD2 3.62Å; T386-Y436 HydrophobicContact CG2-CE2 3.57Å; F387-Y436 PolarHBondContact O-N 2.89Å; D389-Y436 PolarHBondContact N-O 3.28Å; E434-Y436 HydrophobicContact CB-CE2 3.92Å; E434-Y436 WeakPolarHBondContact OE2-CE2 3.17Å; E434-Y436 PolarHBondContact OE2-OH 3.48Å; Y436-M438 PolarHBondContact O-N 3.09Å; Y436-M438 VanDerWaalsContact O-N 3.16Å; Y436-L467 HydrophobicContact CD2-CD1 4.1Å; Y436-L467 HydrophobicContact CD2-CD2 4.13Å; Y436-L467 HydrophobicContact CE2-CD2 3.73Å; Y436-L467 HydrophobicContact CG-CD1 4.15Å
437	N	96.4	Very high	91.7	Very high	86 Å²	86	38.6 Å²	38.6	46%	0.46	23%	0.23	S	C	.	.			trans	-83.3	84.3	173.4	-170.2	68.6	0	0	0	110	D389 S415	D389-N437 WeakPolarHBondContact O-CA 3.42Å; D389-N437 PolarHBondContact O-OD1 3.05Å; S415-N437 PolarHBondContact OG-OD1 3.43Å
438	M	94.1	Very high	91.1	Very high	15 Å²	15	39.7 Å²	39.7	7%	0.074	24%	0.236	C	C	.	.			trans	-141.6	147.5	-175.3	64.1	178.2	-70	0	0	111.5	V388 N390 Y436 D460 Q463 L464 L467	V388-M438 HydrophobicContact CG1-CG 3.44Å; V388-M438 VanDerWaalsContact CG1-CG 3.44Å; V388-M438 HydrophobicContact CG1-SD 3.94Å; V388-M438 HydrophobicContact CG2-SD 4.26Å; N390-M438 WeakPolarHBondContact CB-O 3.34Å; Y436-M438 PolarHBondContact O-N 3.09Å; Y436-M438 VanDerWaalsContact O-N 3.16Å; M438-D460 HydrophobicContact CE-CB 4.13Å; M438-D460 WeakPolarHBondContact CE-O 3.18Å; M438-Q463 HydrophobicContact CE-CB 4.06Å; M438-Q463 HydrophobicContact CE-CG 4.13Å; M438-Q463 HydrophobicContact SD-CB 4.34Å; M438-Q463 HydrophobicContact SD-CG 3.75Å; M438-L464 HydrophobicContact CE-CB 4Å; M438-L467 HydrophobicContact SD-CD1 4.04Å
439	S	91.3	Very high	90.6	Very high	55 Å²	55	46.4 Å²	46.4	39%	0.385	27%	0.266	S	S	.	.			trans	-85.5	153.2	174.6	-163.5	0	0	0	0	110.7
440	I	93.5	Very high	90.5	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.062	27%	0.265	C	S	.	.			trans	-108.2	113.5	171.7	-68.3	174.8	0	0	0	107	L364 V388 M442 L464 M478 S483 L486 P487	L364-I440 HydrophobicContact CB-CD1 4.39Å; L364-I440 HydrophobicContact CD1-CD1 4.29Å; L364-I440 HydrophobicContact CD2-CD1 4.39Å; V388-I440 HydrophobicContact CG1-CD1 4.18Å; V388-I440 HydrophobicContact CG1-CG1 4.45Å; I440-M442 WeakPolarHBondContact O-CG 3.34Å; I440-M442 PolarHBondContact O-N 3.41Å; I440-L464 HydrophobicContact CD1-CD1 4.4Å; I440-L464 HydrophobicContact CG1-CD2 4.34Å; I440-L464 HydrophobicContact CG2-CD2 4.27Å; I440-M478 HydrophobicContact CB-CE 3.9Å; I440-M478 HydrophobicContact CD1-CE 3.43Å; I440-M478 VanDerWaalsContact CD1-CE 3.43Å; I440-M478 HydrophobicContact CD1-SD 3.76Å; I440-M478 HydrophobicContact CG1-CE 4.11Å; I440-M478 HydrophobicContact CG2-CE 4.27Å; I440-S483 WeakPolarHBondContact CG2-O 3.32Å; I440-L486 HydrophobicContact CG2-CB 4.42Å; I440-L486 HydrophobicContact CG2-CD2 4.25Å; I440-P487 HydrophobicContact CD1-CG 4.22Å; I440-P487 HydrophobicContact CG2-CG 4.1Å
441	P	92.3	Very high	90.5	Very high	12 Å²	12	52.2 Å²	52.2	8%	0.078	29%	0.289	C	S	.	.			trans	-57.2	136	177.5	-27.5	36.4	0	0	0	112.3	A457 V461 L486 F686	P441-A457 HydrophobicContact CG-CB 4.19Å; P441-V461 HydrophobicContact CG-CG2 4.22Å; P441-L486 HydrophobicContact CB-CD2 4.43Å; P441-L486 HydrophobicContact CG-CD2 4.49Å; P441-F686 HydrophobicContact CB-CD1 4.18Å; P441-F686 HydrophobicContact CB-CD2 3.98Å; P441-F686 HydrophobicContact CB-CE1 3.87Å; P441-F686 HydrophobicContact CB-CE2 3.65Å; P441-F686 HydrophobicContact CB-CG 4.26Å; P441-F686 HydrophobicContact CB-CZ 3.6Å; P441-F686 HydrophobicContact CG-CE2 4.36Å; P441-F686 HydrophobicContact CG-CZ 4.48Å
442	M	89	Confident	90.2	Very high	50 Å²	50	55 Å²	55	25%	0.246	31%	0.313	C	S	.	.			trans	-111.9	143	-172.9	-59.6	-172	-68.8	0	0	110.8	I440 H445 E482	I440-M442 WeakPolarHBondContact O-CG 3.34Å; I440-M442 PolarHBondContact O-N 3.41Å; M442-H445 HydrophobicContact CB-CB 4.32Å; M442-H445 PolarHBondContact O-N 2.85Å; M442-E482 HydrophobicContact CB-CB 3.98Å; M442-E482 HydrophobicContact CG-CB 4.37Å; M442-E482 HydrophobicContact SD-CB 4.24Å
443	P	87.3	Confident	89.9	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.013	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	144.1	167.3	-26.3	35.8	0	0	0	112.2	H445 E482 W485 P576 V685	P443-H445 PolarHBondContact O-N 3.11Å; P443-H445 PolarHBondContact O-ND1 3.45Å; P443-E482 VanDerWaalsContact CD-O 3.29Å; P443-E482 WeakPolarHBondContact CD-O 3.29Å; P443-W485 HydrophobicContact CG-CB 3.78Å; P443-W485 HydrophobicContact CG-CD2 3.52Å; P443-W485 HydrophobicContact CG-CE3 3.49Å; P443-W485 VanDerWaalsContact CG-CE3 3.49Å; P443-W485 HydrophobicContact CG-CG 3.65Å; P443-W485 HydrophobicContact CG-CZ3 4.31Å; P443-P576 HydrophobicContact CB-CG 4.35Å; P443-P576 HydrophobicContact CG-CB 4.49Å; P443-P576 HydrophobicContact CG-CG 4.16Å; P443-V685 HydrophobicContact CB-CG1 4.01Å; P443-V685 HydrophobicContact CG-CG1 4.11Å
444	G	82.1	Confident	89.5	Confident	26 Å²	26	56.2 Å²	56.2	27%	0.268	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	3.4	178.7	0	0	0	0	0	115.7
445	H	83.8	Confident	89.2	Confident	60 Å²	60	53.9 Å²	53.9	28%	0.278	31%	0.308	S	S	.	.	S	Bend	trans	-113.3	101.1	176.5	-67.4	75.9	0	0	0	109.2	M442 P443 V447 F686	M442-H445 HydrophobicContact CB-CB 4.32Å; M442-H445 PolarHBondContact O-N 2.85Å; P443-H445 PolarHBondContact O-N 3.11Å; P443-H445 PolarHBondContact O-ND1 3.45Å; H445-V447 PolarHBondContact O-N 3.08Å; H445-F686 CarbonylContact C-O 3.54Å; H445-F686 PolarHBondContact N-O 3.35Å; H445-F686 VanDerWaalsContact O-O 3.13Å
446	P	83.2	Confident	89	Confident	50 Å²	50	57 Å²	57	33%	0.325	32%	0.316	S	S	.	.			trans	-61.2	143	-172.2	-18.9	28.1	0	0	0	112.2	F449 N687	P446-F449 HydrophobicContact CB-CD2 4.44Å; P446-F449 HydrophobicContact CB-CE1 3.96Å; P446-F449 HydrophobicContact CB-CE2 3.74Å; P446-F449 HydrophobicContact CB-CZ 3.47Å; P446-F449 VanDerWaalsContact CB-CZ 3.47Å; P446-F449 HydrophobicContact CG-CE1 4.25Å; P446-F449 HydrophobicContact CG-CE2 4.31Å; P446-F449 HydrophobicContact CG-CZ 3.67Å; P446-F449 VanDerWaalsContact O-CD2 3.3Å; P446-F449 WeakPolarHBondContact O-CD2 3.35Å; P446-F449 WeakPolarHBondContact O-CE2 3.48Å; P446-N687 VanDerWaalsContact CA-OD1 3.28Å; P446-N687 WeakPolarHBondContact CA-OD1 3.46Å; P446-N687 WeakPolarHBondContact CB-OD1 3.48Å
447	V	85.1	Confident	88.7	Confident	20 Å²	20	54.4 Å²	54.4	12%	0.121	31%	0.307	C	S	.	.			trans	-114.7	-6.6	178	-64.7	0	0	0	0	111.9	H445 F449 T453 L454 A457 F686 N687	H445-V447 PolarHBondContact O-N 3.08Å; V447-F449 VanDerWaalsContact C-N 3.35Å; V447-F449 PolarHBondContact O-N 2.93Å; V447-T453 CarbonylContact O-C 3.45Å; V447-T453 WeakPolarHBondContact O-CB 3.48Å; V447-T453 PolarHBondContact O-OG1 2.92Å; V447-L454 HydrophobicContact CG2-CD1 3.91Å; V447-L454 PolarHBondContact O-N 2.65Å; V447-L454 VanDerWaalsContact O-N 3.14Å; V447-A457 HydrophobicContact CB-CB 3.97Å; V447-A457 HydrophobicContact CG1-CB 3.99Å; V447-A457 HydrophobicContact CG2-CB 4.25Å; V447-F686 HydrophobicContact CG1-CB 4.31Å; V447-F686 HydrophobicContact CG1-CD2 4.49Å; V447-F686 HydrophobicContact CG2-CB 4.04Å; V447-F686 HydrophobicContact CG2-CD2 4.06Å; V447-N687 PolarHBondContact N-OD1 3.23Å
448	N	82.6	Confident	88.6	Confident	92 Å²	92	54.9 Å²	54.9	49%	0.492	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	11.1	-176.1	69.2	-9.1	0	0	0	114.8	S450 N687	N448-S450 PolarHBondContact O-N 2.86Å; N448-S450 VanDerWaalsContact O-N 3.15Å; N448-N687 WeakPolarHBondContact CB-OD1 3.38Å; N448-N687 PolarHBondContact N-OD1 3.31Å; N448-N687 VanDerWaalsContact N-OD1 3.14Å; N448-N687 PolarHBondContact OD1-OD1 3.45Å; N448-N687 VanDerWaalsContact OD1-OD1 3.13Å
449	F	82.9	Confident	88.7	Confident	158 Å²	158	60.7 Å²	60.7	69%	0.693	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.3	178.9	-58.1	-65.7	0	0	0	113.6	P446 V447	P446-F449 HydrophobicContact CB-CD2 4.44Å; P446-F449 HydrophobicContact CB-CE1 3.96Å; P446-F449 HydrophobicContact CB-CE2 3.74Å; P446-F449 HydrophobicContact CB-CZ 3.47Å; P446-F449 VanDerWaalsContact CB-CZ 3.47Å; P446-F449 HydrophobicContact CG-CE1 4.25Å; P446-F449 HydrophobicContact CG-CE2 4.31Å; P446-F449 HydrophobicContact CG-CZ 3.67Å; P446-F449 VanDerWaalsContact O-CD2 3.3Å; P446-F449 WeakPolarHBondContact O-CD2 3.35Å; P446-F449 WeakPolarHBondContact O-CE2 3.48Å; V447-F449 VanDerWaalsContact C-N 3.35Å; V447-F449 PolarHBondContact O-N 2.93Å
450	S	86.7	Confident	88.9	Confident	50 Å²	50	59 Å²	59	35%	0.35	32%	0.318	S	S	.	.	S	Bend	trans	-153.6	160.9	172.9	71.7	0	0	0	0	111.3	N448 A452 T453 L454	N448-S450 PolarHBondContact O-N 2.86Å; N448-S450 VanDerWaalsContact O-N 3.15Å; S450-A452 PolarHBondContact O-N 2.84Å; S450-A452 PolarHBondContact OG-N 3.33Å; S450-T453 PolarHBondContact N-OG1 3.31Å; S450-T453 VanDerWaalsContact N-OG1 3.08Å; S450-T453 PolarHBondContact O-N 3.38Å; S450-T453 PolarHBondContact O-OG1 2.88Å; S450-T453 WeakPolarHBondContact OG-CG2 2.84Å; S450-T453 PolarHBondContact OG-N 2.71Å; S450-T453 PolarHBondContact OG-OG1 2.74Å; S450-L454 PolarHBondContact O-N 3Å; S450-L454 VanDerWaalsContact O-N 3.15Å
451	Q	87.9	Confident	89.1	Confident	145 Å²	145	58.6 Å²	58.6	68%	0.678	32%	0.316	S	S	*	.	H	α-helix	trans	-61.4	-32.5	173.8	-168.7	63.3	21.2	0	0	112	S455	Q451-S455 VanDerWaalsContact O-CB 3.31Å; Q451-S455 WeakPolarHBondContact O-CB 3.49Å; Q451-S455 PolarHBondContact O-N 3.13Å; Q451-S455 PolarHBondContact O-OG 3.24Å
452	A	88.9	Confident	89.3	Confident	72 Å²	72	62.1 Å²	62.1	60%	0.595	34%	0.337	S	S	*	.	H	α-helix	trans	-68.3	-45.2	179	0	0	0	0	0	112	S450 S455 Q456	S450-A452 PolarHBondContact O-N 2.84Å; S450-A452 PolarHBondContact OG-N 3.33Å; A452-S455 PolarHBondContact O-N 2.99Å; A452-Q456 WeakPolarHBondContact O-CB 3.22Å; A452-Q456 PolarHBondContact O-N 3.11Å
453	T	88.4	Confident	89.8	Confident	59 Å²	59	62.2 Å²	62.2	36%	0.362	34%	0.337	S	S	.	.	H	α-helix	trans	-66.2	-40	178.6	50.2	0	0	0	0	112	V447 S450 Q456 A457	V447-T453 CarbonylContact O-C 3.45Å; V447-T453 WeakPolarHBondContact O-CB 3.48Å; V447-T453 PolarHBondContact O-OG1 2.92Å; S450-T453 PolarHBondContact N-OG1 3.31Å; S450-T453 VanDerWaalsContact N-OG1 3.08Å; S450-T453 PolarHBondContact O-N 3.38Å; S450-T453 PolarHBondContact O-OG1 2.88Å; S450-T453 WeakPolarHBondContact OG-CG2 2.84Å; S450-T453 PolarHBondContact OG-N 2.71Å; S450-T453 PolarHBondContact OG-OG1 2.74Å; T453-Q456 PolarHBondContact O-N 3.26Å; T453-A457 WeakPolarHBondContact O-CB 3.13Å; T453-A457 PolarHBondContact O-N 3.39Å
454	L	90.5	Very high	90.3	Very high	39 Å²	39	62.1 Å²	62.1	20%	0.204	34%	0.337	C	S	.	.	H	α-helix	trans	-64.7	-44.1	176.4	-173.5	69	0	0	0	111.3	V447 S450 Q456 A457 Q458 F679	V447-L454 HydrophobicContact CG2-CD1 3.91Å; V447-L454 PolarHBondContact O-N 2.65Å; V447-L454 VanDerWaalsContact O-N 3.14Å; S450-L454 PolarHBondContact O-N 3Å; S450-L454 VanDerWaalsContact O-N 3.15Å; L454-Q456 VanDerWaalsContact C-N 3.33Å; L454-Q456 PolarHBondContact O-N 3.23Å; L454-A457 PolarHBondContact O-N 2.99Å; L454-Q458 PolarHBondContact O-N 3.29Å; L454-F679 HydrophobicContact CD1-CE1 4.11Å; L454-F679 HydrophobicContact CD1-CZ 4.21Å; L454-F679 HydrophobicContact CG-CE1 4.49Å
455	S	92	Very high	91.1	Very high	41 Å²	41	62.9 Å²	62.9	29%	0.287	33%	0.333	S	S	.	.	H	α-helix	trans	-65.4	-36.5	177.4	-57.2	0	0	0	0	112.1	Q451 A452 K459	Q451-S455 VanDerWaalsContact O-CB 3.31Å; Q451-S455 WeakPolarHBondContact O-CB 3.49Å; Q451-S455 PolarHBondContact O-N 3.13Å; Q451-S455 PolarHBondContact O-OG 3.24Å; A452-S455 PolarHBondContact O-N 2.99Å; S455-K459 WeakPolarHBondContact O-CG 3.2Å; S455-K459 PolarHBondContact O-N 2.7Å; S455-K459 VanDerWaalsContact O-N 3.11Å
456	Q	92.5	Very high	91.8	Very high	92 Å²	92	64.8 Å²	64.8	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-67.9	-46.2	175.1	-173.7	59.3	45.7	0	0	111.3	A452 T453 L454 Q458 K459 D460	A452-Q456 WeakPolarHBondContact O-CB 3.22Å; A452-Q456 PolarHBondContact O-N 3.11Å; T453-Q456 PolarHBondContact O-N 3.26Å; L454-Q456 VanDerWaalsContact C-N 3.33Å; L454-Q456 PolarHBondContact O-N 3.23Å; Q456-Q458 PolarHBondContact O-N 2.96Å; Q456-K459 WeakPolarHBondContact O-CB 3.13Å; Q456-K459 PolarHBondContact O-N 3.27Å; Q456-K459 VanDerWaalsContact O-N 3.07Å; Q456-D460 PolarHBondContact NE2-OD1 2.93Å; Q456-D460 VanDerWaalsContact O-CG 3.31Å; Q456-D460 PolarHBondContact O-N 2.75Å
457	A	92.5	Very high	92.5	Very high	6 Å²	6	62.4 Å²	62.4	5%	0.05	33%	0.325	C	S	.	.	H	α-helix	trans	-57.8	-39.1	175.6	0	0	0	0	0	111.7	P441 V447 T453 L454 D460 V461 F679	P441-A457 HydrophobicContact CG-CB 4.19Å; V447-A457 HydrophobicContact CB-CB 3.97Å; V447-A457 HydrophobicContact CG1-CB 3.99Å; V447-A457 HydrophobicContact CG2-CB 4.25Å; T453-A457 WeakPolarHBondContact O-CB 3.13Å; T453-A457 PolarHBondContact O-N 3.39Å; L454-A457 PolarHBondContact O-N 2.99Å; A457-D460 PolarHBondContact O-N 3.47Å; A457-V461 VanDerWaalsContact O-CG2 3.25Å; A457-V461 WeakPolarHBondContact O-CG2 3.45Å; A457-V461 PolarHBondContact O-N 3.48Å; A457-F679 HydrophobicContact CB-CZ 4.35Å
458	Q	94.8	Very high	93.1	Very high	96 Å²	96	61.5 Å²	61.5	45%	0.449	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-44.1	174.6	-169.3	175.5	7.2	0	0	112.4	L454 Q456 V461 V462 F679	L454-Q458 PolarHBondContact O-N 3.29Å; Q456-Q458 PolarHBondContact O-N 2.96Å; Q458-V461 PolarHBondContact O-N 3.15Å; Q458-V462 VanDerWaalsContact O-CG2 3.32Å; Q458-V462 WeakPolarHBondContact O-CG2 3.29Å; Q458-V462 PolarHBondContact O-N 3.47Å; Q458-F679 HydrophobicContact CB-CD1 4.15Å; Q458-F679 HydrophobicContact CB-CD2 4.2Å; Q458-F679 HydrophobicContact CB-CE1 3.76Å; Q458-F679 HydrophobicContact CB-CE2 3.83Å; Q458-F679 HydrophobicContact CB-CG 4.36Å; Q458-F679 HydrophobicContact CB-CZ 3.59Å; Q458-F679 HydrophobicContact CG-CD1 3.88Å; Q458-F679 HydrophobicContact CG-CD2 4.09Å; Q458-F679 HydrophobicContact CG-CE1 4.02Å; Q458-F679 HydrophobicContact CG-CE2 4.24Å; Q458-F679 HydrophobicContact CG-CG 3.91Å; Q458-F679 HydrophobicContact CG-CZ 4.2Å
459	K	95.6	Very high	93.9	Very high	137 Å²	137	59.4 Å²	59.4	60%	0.596	31%	0.312	S	S	*	.	H	α-helix	trans	-62.5	-43.1	175.5	-72.1	173.8	-177.1	178	0	111.8	S455 Q456 V462 Q463	S455-K459 WeakPolarHBondContact O-CG 3.2Å; S455-K459 PolarHBondContact O-N 2.7Å; S455-K459 VanDerWaalsContact O-N 3.11Å; Q456-K459 WeakPolarHBondContact O-CB 3.13Å; Q456-K459 PolarHBondContact O-N 3.27Å; Q456-K459 VanDerWaalsContact O-N 3.07Å; K459-V462 PolarHBondContact O-N 3.37Å; K459-Q463 WeakPolarHBondContact O-CB 3.18Å; K459-Q463 PolarHBondContact O-N 3.29Å
460	D	96.1	Very high	94.6	Very high	21 Å²	21	56.2 Å²	56.2	11%	0.112	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-41.4	178.9	-67.1	-16.9	0	0	0	111	M438 Q456 A457 Q463 L464	M438-D460 HydrophobicContact CE-CB 4.13Å; M438-D460 WeakPolarHBondContact CE-O 3.18Å; Q456-D460 PolarHBondContact NE2-OD1 2.93Å; Q456-D460 VanDerWaalsContact O-CG 3.31Å; Q456-D460 PolarHBondContact O-N 2.75Å; A457-D460 PolarHBondContact O-N 3.47Å; D460-Q463 PolarHBondContact O-N 3.48Å; D460-L464 WeakPolarHBondContact O-CB 3.27Å; D460-L464 PolarHBondContact O-N 2.93Å
461	V	97	Very high	95.2	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-48.7	173.7	168.9	0	0	0	0	111.2	P441 A457 Q458 Q463 L464 E465 L486 F679 L682 F686	P441-V461 HydrophobicContact CG-CG2 4.22Å; A457-V461 VanDerWaalsContact O-CG2 3.25Å; A457-V461 WeakPolarHBondContact O-CG2 3.45Å; A457-V461 PolarHBondContact O-N 3.48Å; Q458-V461 PolarHBondContact O-N 3.15Å; V461-Q463 VanDerWaalsContact C-N 3.31Å; V461-Q463 PolarHBondContact O-N 3.43Å; V461-L464 PolarHBondContact O-N 3.27Å; V461-E465 HydrophobicContact CG1-CG 4.4Å; V461-E465 WeakPolarHBondContact O-CB 3.19Å; V461-E465 WeakPolarHBondContact O-CG 3.1Å; V461-E465 PolarHBondContact O-N 2.78Å; V461-L486 HydrophobicContact CG2-CD2 4.02Å; V461-F679 HydrophobicContact CB-CD2 4.13Å; V461-F679 HydrophobicContact CB-CE2 4.35Å; V461-F679 HydrophobicContact CG1-CD2 4.23Å; V461-F679 HydrophobicContact CG2-CD2 4.02Å; V461-F679 HydrophobicContact CG2-CE2 3.92Å; V461-L682 HydrophobicContact CG1-CD1 3.65Å; V461-L682 HydrophobicContact CG2-CD1 4.24Å; V461-F686 HydrophobicContact CG2-CE2 4.28Å; V461-F686 HydrophobicContact CG2-CZ 4.43Å
462	V	97.5	Very high	95.6	Very high	85 Å²	85	51.2 Å²	51.2	52%	0.515	27%	0.273	S	S	.	.	H	α-helix	trans	-61	-41.7	179	170	0	0	0	0	111.2	Q458 K459 E465 K466	Q458-V462 VanDerWaalsContact O-CG2 3.32Å; Q458-V462 WeakPolarHBondContact O-CG2 3.29Å; Q458-V462 PolarHBondContact O-N 3.47Å; K459-V462 PolarHBondContact O-N 3.37Å; V462-E465 PolarHBondContact O-N 2.93Å; V462-K466 WeakPolarHBondContact O-CB 3.3Å; V462-K466 PolarHBondContact O-N 3.11Å
463	Q	97.9	Very high	96.1	Very high	53 Å²	53	47.8 Å²	47.8	25%	0.248	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-44.9	176.7	-177.1	63	24.5	0	0	111.4	M438 K459 D460 V461 E465 K466 L467	M438-Q463 HydrophobicContact CE-CB 4.06Å; M438-Q463 HydrophobicContact CE-CG 4.13Å; M438-Q463 HydrophobicContact SD-CB 4.34Å; M438-Q463 HydrophobicContact SD-CG 3.75Å; K459-Q463 WeakPolarHBondContact O-CB 3.18Å; K459-Q463 PolarHBondContact O-N 3.29Å; D460-Q463 PolarHBondContact O-N 3.48Å; V461-Q463 VanDerWaalsContact C-N 3.31Å; V461-Q463 PolarHBondContact O-N 3.43Å; Q463-E465 VanDerWaalsContact C-N 3.34Å; Q463-E465 PolarHBondContact O-N 3.08Å; Q463-K466 WeakPolarHBondContact O-CB 3.31Å; Q463-K466 PolarHBondContact O-N 3Å; Q463-L467 HydrophobicContact CG-CD1 4.24Å; Q463-L467 VanDerWaalsContact O-CG 3.32Å; Q463-L467 WeakPolarHBondContact O-CG 3.43Å; Q463-L467 PolarHBondContact O-N 2.66Å
464	L	98.3	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-43.2	177.4	180	62.5	0	0	0	111.3	L364 M438 I440 D460 V461 K466 L467 I468 L486 P487 I490	L364-L464 HydrophobicContact CD1-CD1 4.11Å; L364-L464 HydrophobicContact CD2-CD1 3.97Å; M438-L464 HydrophobicContact CE-CB 4Å; I440-L464 HydrophobicContact CD1-CD1 4.4Å; I440-L464 HydrophobicContact CG1-CD2 4.34Å; I440-L464 HydrophobicContact CG2-CD2 4.27Å; D460-L464 WeakPolarHBondContact O-CB 3.27Å; D460-L464 PolarHBondContact O-N 2.93Å; V461-L464 PolarHBondContact O-N 3.27Å; L464-K466 VanDerWaalsContact C-N 3.33Å; L464-K466 PolarHBondContact O-N 2.86Å; L464-L467 PolarHBondContact O-N 3.1Å; L464-I468 HydrophobicContact CD1-CD1 3.92Å; L464-I468 HydrophobicContact CD1-CG1 4.24Å; L464-I468 HydrophobicContact CG-CD1 3.9Å; L464-I468 WeakPolarHBondContact O-CB 3.32Å; L464-I468 WeakPolarHBondContact O-CG1 3.4Å; L464-I468 PolarHBondContact O-N 2.93Å; L464-L486 HydrophobicContact CD2-CD2 3.81Å; L464-L486 HydrophobicContact CD2-CG 4.01Å; L464-P487 HydrophobicContact CD2-CG 4.19Å; L464-I490 HydrophobicContact CD2-CD1 3.74Å; L464-I490 HydrophobicContact CG-CD1 3.97Å
465	E	98.3	Very high	97	Very high	42 Å²	42	43.1 Å²	43.1	20%	0.196	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-43.3	175	-82.2	-178.8	-176.7	0	0	112.2	V461 V462 Q463 S469 I490 K494 Y674	V461-E465 HydrophobicContact CG1-CG 4.4Å; V461-E465 WeakPolarHBondContact O-CB 3.19Å; V461-E465 WeakPolarHBondContact O-CG 3.1Å; V461-E465 PolarHBondContact O-N 2.78Å; V462-E465 PolarHBondContact O-N 2.93Å; Q463-E465 VanDerWaalsContact C-N 3.34Å; Q463-E465 PolarHBondContact O-N 3.08Å; E465-S469 PolarHBondContact O-N 3.09Å; E465-S469 VanDerWaalsContact O-N 3.11Å; E465-S469 PolarHBondContact O-OG 2.78Å; E465-I490 HydrophobicContact CG-CD1 3.9Å; E465-I490 HydrophobicContact CG-CG1 4.23Å; E465-I490 HydrophobicContact CG-CG2 3.98Å; E465-K494 PolarHBondContact O-NZ 3.43Å; E465-Y674 VanDerWaalsContact CD-OH 3.23Å; E465-Y674 PolarHBondContact OE1-OH 3.24Å
466	K	98.4	Very high	97.3	Very high	100 Å²	100	41.2 Å²	41.2	44%	0.435	20%	0.204	S	C	.	.	H	α-helix	trans	-61.8	-52.7	175.7	-179.5	-173.6	171.4	-171.7	0	110.4	V462 Q463 L464 I468 S469 E470	V462-K466 WeakPolarHBondContact O-CB 3.3Å; V462-K466 PolarHBondContact O-N 3.11Å; Q463-K466 WeakPolarHBondContact O-CB 3.31Å; Q463-K466 PolarHBondContact O-N 3Å; L464-K466 VanDerWaalsContact C-N 3.33Å; L464-K466 PolarHBondContact O-N 2.86Å; K466-I468 PolarHBondContact O-N 3.28Å; K466-S469 WeakPolarHBondContact O-CA 3.5Å; K466-S469 WeakPolarHBondContact O-CB 3.49Å; K466-S469 PolarHBondContact O-N 3.06Å; K466-E470 VanDerWaalsContact CE-CD 3.45Å; K466-E470 WeakPolarHBondContact CE-OE1 3.4Å; K466-E470 WeakPolarHBondContact CE-OE2 3.4Å; K466-E470 HydrophobicContact CG-CG 4.41Å; K466-E470 IonicContact NZ-OE1 3.69Å; K466-E470 WeakPolarHBondContact O-CG 3.26Å; K466-E470 PolarHBondContact O-N 3Å
467	L	98.6	Very high	97.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-56.8	-48.5	179.8	-70.1	174.1	0	0	0	111.4	L362 T386 V388 Y436 M438 Q463 L464 S469 E470 H471	L362-L467 HydrophobicContact CD1-CB 4.17Å; L362-L467 HydrophobicContact CD1-CD1 4.49Å; L362-L467 HydrophobicContact CD2-CB 3.88Å; T386-L467 HydrophobicContact CG2-CD2 4.17Å; V388-L467 HydrophobicContact CG2-CD1 3.64Å; Y436-L467 HydrophobicContact CD2-CD1 4.1Å; Y436-L467 HydrophobicContact CD2-CD2 4.13Å; Y436-L467 HydrophobicContact CE2-CD2 3.73Å; Y436-L467 HydrophobicContact CG-CD1 4.15Å; M438-L467 HydrophobicContact SD-CD1 4.04Å; Q463-L467 HydrophobicContact CG-CD1 4.24Å; Q463-L467 VanDerWaalsContact O-CG 3.32Å; Q463-L467 WeakPolarHBondContact O-CG 3.43Å; Q463-L467 PolarHBondContact O-N 2.66Å; L464-L467 PolarHBondContact O-N 3.1Å; L467-S469 PolarHBondContact O-N 3.24Å; L467-E470 PolarHBondContact O-N 3.46Å; L467-H471 PolarHBondContact O-N 2.88Å; L467-H471 PolarHBondContact O-ND1 3.09Å
468	I	98.5	Very high	97.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-34.6	177.4	-71	171.9	0	0	0	111.4	L362 L464 K466 V474 P487 I490 A491 K494 K496	L362-I468 HydrophobicContact CD2-CG1 3.75Å; L464-I468 HydrophobicContact CD1-CD1 3.92Å; L464-I468 HydrophobicContact CD1-CG1 4.24Å; L464-I468 HydrophobicContact CG-CD1 3.9Å; L464-I468 WeakPolarHBondContact O-CB 3.32Å; L464-I468 WeakPolarHBondContact O-CG1 3.4Å; L464-I468 PolarHBondContact O-N 2.93Å; K466-I468 PolarHBondContact O-N 3.28Å; I468-V474 HydrophobicContact CG1-CG2 4.25Å; I468-V474 HydrophobicContact CG2-CG2 4.2Å; I468-P487 HydrophobicContact CD1-CB 4.4Å; I468-I490 HydrophobicContact CB-CG2 4.19Å; I468-I490 HydrophobicContact CD1-CB 3.87Å; I468-I490 HydrophobicContact CD1-CD1 4.29Å; I468-I490 HydrophobicContact CD1-CG2 3.72Å; I468-I490 HydrophobicContact CG2-CG2 4.01Å; I468-A491 HydrophobicContact CG2-CB 4.29Å; I468-K494 HydrophobicContact CG2-CD 4.38Å; I468-K496 HydrophobicContact CG2-CB 4.28Å; I468-K496 HydrophobicContact CG2-CG 3.8Å; I468-K496 WeakPolarHBondContact O-CE 3.48Å
469	S	98.1	Very high	97	Very high	48 Å²	48	37.5 Å²	37.5	34%	0.336	19%	0.189	S	C	.	.	H	α-helix	trans	-70.9	-38.9	178.9	-51.7	0	0	0	0	113.1	E465 K466 L467 H471 K494 K496	E465-S469 PolarHBondContact O-N 3.09Å; E465-S469 VanDerWaalsContact O-N 3.11Å; E465-S469 PolarHBondContact O-OG 2.78Å; K466-S469 WeakPolarHBondContact O-CA 3.5Å; K466-S469 WeakPolarHBondContact O-CB 3.49Å; K466-S469 PolarHBondContact O-N 3.06Å; L467-S469 PolarHBondContact O-N 3.24Å; S469-H471 VanDerWaalsContact C-N 3.33Å; S469-K494 VanDerWaalsContact OG-CD 3.29Å; S469-K494 WeakPolarHBondContact OG-CD 3.32Å; S469-K494 PolarHBondContact OG-NZ 2.95Å; S469-K496 WeakPolarHBondContact O-CE 3.28Å; S469-K496 PolarHBondContact O-NZ 2.99Å
470	E	98.1	Very high	96.4	Very high	92 Å²	92	32.4 Å²	32.4	43%	0.43	17%	0.17	S	C	.	.	H	α-helix	trans	-79.2	-15.7	-174.4	-71.2	175.9	162.8	0	0	113.7	K360 K466 L467	K360-E470 WeakPolarHBondContact CD-O 3.4Å; K466-E470 VanDerWaalsContact CE-CD 3.45Å; K466-E470 WeakPolarHBondContact CE-OE1 3.4Å; K466-E470 WeakPolarHBondContact CE-OE2 3.4Å; K466-E470 HydrophobicContact CG-CG 4.41Å; K466-E470 IonicContact NZ-OE1 3.69Å; K466-E470 WeakPolarHBondContact O-CG 3.26Å; K466-E470 PolarHBondContact O-N 3Å; L467-E470 PolarHBondContact O-N 3.46Å
471	H	98.7	Very high	95.9	Very high	11 Å²	11	32.8 Å²	32.8	5%	0.051	17%	0.17	C	C	.	.			trans	-104.8	153.9	-178.8	-64.5	76.5	0	0	0	112	K360 L362 T386 L467 S469 K496	K360-H471 HydrophobicContact CB-CB 4.36Å; L362-H471 HydrophobicContact CB-CB 3.83Å; T386-H471 WeakPolarHBondContact CB-NE2 3.27Å; T386-H471 PolarHBondContact OG1-CE1 3.37Å; T386-H471 PolarHBondContact OG1-NE2 3.41Å; L467-H471 PolarHBondContact O-N 2.88Å; L467-H471 PolarHBondContact O-ND1 3.09Å; S469-H471 VanDerWaalsContact C-N 3.33Å; H471-K496 WeakPolarHBondContact O-CE 3.34Å; H471-K496 PolarHBondContact O-NZ 3.25Å
472	D	98.2	Very high	95.5	Very high	78 Å²	78	33 Å²	33	42%	0.417	17%	0.17	S	C	.	.	S	Bend	trans	-88.3	-40.6	-176.5	-57.1	-50.3	0	0	0	111.2	T359 K360	T359-D472 HydrophobicContact CG2-CB 4.09Å; K360-D472 PolarHBondContact N-OD2 2.85Å; K360-D472 PolarHBondContact O-N 3.04Å
473	V	98.6	Very high	95.2	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.6	-179.6	-172.5	0	0	0	0	110.2	T359 K360 L362 F475 L497 V499 M608	T359-V473 HydrophobicContact CG2-CB 4.45Å; T359-V473 HydrophobicContact CG2-CG2 3.71Å; K360-V473 PolarHBondContact O-N 2.72Å; L362-V473 PolarHBondContact N-O 2.89Å; V473-F475 HydrophobicContact CB-CE2 4.39Å; V473-F475 HydrophobicContact CG1-CD2 4.16Å; V473-F475 HydrophobicContact CG1-CE2 3.75Å; V473-F475 HydrophobicContact CG1-CZ 4.29Å; V473-L497 WeakPolarHBondContact CA-O 3.26Å; V473-L497 HydrophobicContact CG1-CD2 4.39Å; V473-L497 HydrophobicContact CG1-CG 4.41Å; V473-L497 HydrophobicContact CG2-CB 4.47Å; V473-L497 HydrophobicContact CG2-CD2 3.99Å; V473-V499 HydrophobicContact CG1-CG2 4.3Å; V473-M608 HydrophobicContact CB-SD 4.34Å; V473-M608 HydrophobicContact CG1-CG 4.03Å; V473-M608 HydrophobicContact CG1-SD 4.21Å; V473-M608 HydrophobicContact CG2-CG 4.13Å; V473-M608 HydrophobicContact CG2-SD 4.23Å
474	V	98.8	Very high	95	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.3	177.3	-174.8	0	0	0	0	109.7	L362 L364 I468 L476 K496 L497 V498 V499	L362-V474 HydrophobicContact CB-CG2 4.46Å; L362-V474 HydrophobicContact CD2-CG1 4.28Å; L362-V474 HydrophobicContact CD2-CG2 4.33Å; L364-V474 HydrophobicContact CD1-CG1 3.95Å; L364-V474 HydrophobicContact CG-CG1 4.17Å; I468-V474 HydrophobicContact CG1-CG2 4.25Å; I468-V474 HydrophobicContact CG2-CG2 4.2Å; V474-L476 HydrophobicContact CG1-CD2 3.98Å; V474-K496 HydrophobicContact CG2-CB 4.37Å; V474-L497 PolarHBondContact N-O 3.31Å; V474-V498 HydrophobicContact CB-CG2 4.41Å; V474-V498 VanDerWaalsContact O-CA 3.29Å; V474-V498 WeakPolarHBondContact O-CA 3.42Å; V474-V499 PolarHBondContact O-N 2.87Å
475	F	98.8	Very high	94.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.3	173.6	-73.4	-94.4	0	0	0	110.4	C361 L362 L363 L364 V373 L377 V473 L477 V499 A604 M608	C361-F475 HydrophobicContact CB-CD2 4.49Å; C361-F475 HydrophobicContact CB-CE2 4.31Å; L362-F475 PolarHBondContact O-N 3.04Å; L363-F475 HydrophobicContact CD1-CD2 4.21Å; L363-F475 HydrophobicContact CG-CB 4.46Å; L364-F475 WeakPolarHBondContact CB-O 3.5Å; L364-F475 PolarHBondContact N-O 3.21Å; V373-F475 HydrophobicContact CG1-CD1 3.93Å; V373-F475 HydrophobicContact CG1-CE1 4.03Å; V373-F475 HydrophobicContact CG1-CG 4.17Å; V373-F475 HydrophobicContact CG1-CZ 4.37Å; L377-F475 HydrophobicContact CD1-CE2 4.33Å; L377-F475 HydrophobicContact CD2-CE2 4.36Å; L377-F475 HydrophobicContact CD2-CZ 4.28Å; V473-F475 HydrophobicContact CB-CE2 4.39Å; V473-F475 HydrophobicContact CG1-CD2 4.16Å; V473-F475 HydrophobicContact CG1-CE2 3.75Å; V473-F475 HydrophobicContact CG1-CZ 4.29Å; F475-L477 HydrophobicContact CB-CD1 3.83Å; F475-L477 HydrophobicContact CB-CD2 4.08Å; F475-L477 HydrophobicContact CB-CG 3.79Å; F475-L477 HydrophobicContact CD1-CD2 4.42Å; F475-V499 CarbonylContact C-O 3.51Å; F475-V499 VanDerWaalsContact CA-O 3.27Å; F475-V499 WeakPolarHBondContact CA-O 3.32Å; F475-V499 HydrophobicContact CD1-CB 3.86Å; F475-V499 HydrophobicContact CD1-CG1 4.08Å; F475-V499 HydrophobicContact CE1-CB 3.83Å; F475-V499 HydrophobicContact CE1-CG1 3.92Å; F475-V499 HydrophobicContact CE1-CG2 4.34Å; F475-A604 HydrophobicContact CD1-CB 4.42Å; F475-A604 HydrophobicContact CE1-CB 4.11Å; F475-M608 HydrophobicContact CE2-SD 3.72Å; F475-M608 HydrophobicContact CZ-CB 3.89Å; F475-M608 HydrophobicContact CZ-CG 4.11Å; F475-M608 HydrophobicContact CZ-SD 3.61Å
476	L	98.3	Very high	94.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	101.2	173.2	-51.9	-174.1	0	0	0	109	L364 V474 R484 P487 T488 V498 V499 N500 A501	L364-L476 HydrophobicContact CD1-CD2 3.71Å; L364-L476 HydrophobicContact CG-CD2 4.47Å; V474-L476 HydrophobicContact CG1-CD2 3.98Å; L476-R484 HydrophobicContact CD1-CB 4.47Å; L476-R484 PolarHBondContact O-NH1 3.03Å; L476-P487 HydrophobicContact CD2-CB 3.57Å; L476-P487 HydrophobicContact CD2-CG 4.4Å; L476-T488 WeakPolarHBondContact CD1-OG1 3.46Å; L476-V498 HydrophobicContact CD1-CG1 3.69Å; L476-V498 HydrophobicContact CD2-CG1 4.38Å; L476-V498 HydrophobicContact CG-CG1 3.63Å; L476-V499 PolarHBondContact N-O 3.27Å; L476-N500 HydrophobicContact CB-CB 4.23Å; L476-N500 WeakPolarHBondContact CB-OD1 3.34Å; L476-N500 HydrophobicContact CD1-CB 4.43Å; L476-A501 PolarHBondContact O-N 3.38Å
477	L	96.8	Very high	94.8	Very high	6 Å²	6	19.9 Å²	19.9	3%	0.031	11%	0.105	C	C	.	.			trans	-124.3	26.8	-170.5	-50.3	177.6	0	0	0	111.4	L363 L364 L369 V373 F475 A501	L363-L477 HydrophobicContact CB-CD1 4.33Å; L363-L477 HydrophobicContact CG-CD1 4.17Å; L364-L477 CarbonylContact O-C 3.59Å; L364-L477 VanDerWaalsContact O-C 3.29Å; L364-L477 WeakPolarHBondContact O-CA 3.39Å; L364-L477 WeakPolarHBondContact O-CB 3.08Å; L364-L477 PolarHBondContact O-N 3.26Å; L369-L477 HydrophobicContact CB-CB 3.91Å; L369-L477 HydrophobicContact CB-CD2 4.16Å; L369-L477 HydrophobicContact CB-CG 4.45Å; V373-L477 HydrophobicContact CB-CD1 3.9Å; V373-L477 HydrophobicContact CG1-CD1 4.08Å; V373-L477 HydrophobicContact CG2-CD1 3.85Å; V373-L477 HydrophobicContact CG2-CD2 4.04Å; F475-L477 HydrophobicContact CB-CD1 3.83Å; F475-L477 HydrophobicContact CB-CD2 4.08Å; F475-L477 HydrophobicContact CB-CG 3.79Å; F475-L477 HydrophobicContact CD1-CD2 4.42Å; L477-A501 HydrophobicContact CD2-CB 3.87Å
478	M	91.5	Very high	94.8	Very high	22 Å²	22	19.9 Å²	19.9	11%	0.108	11%	0.105	C	C	.	.			trans	-79.2	165.7	-174.6	-51.8	-174.5	74.2	0	0	111	L364 I440 S483 R484 P487	L364-M478 HydrophobicContact CB-CG 4.26Å; L364-M478 HydrophobicContact CB-SD 4.33Å; L364-M478 VanDerWaalsContact O-CG 3.31Å; L364-M478 WeakPolarHBondContact O-CG 3.28Å; L364-M478 PolarHBondContact O-N 2.94Å; I440-M478 HydrophobicContact CB-CE 3.9Å; I440-M478 HydrophobicContact CD1-CE 3.43Å; I440-M478 VanDerWaalsContact CD1-CE 3.43Å; I440-M478 HydrophobicContact CD1-SD 3.76Å; I440-M478 HydrophobicContact CG1-CE 4.11Å; I440-M478 HydrophobicContact CG2-CE 4.27Å; M478-S483 WeakPolarHBondContact CB-OG 3.45Å; M478-S483 WeakPolarHBondContact CE-OG 3.22Å; M478-S483 VanDerWaalsContact SD-C 3.57Å; M478-R484 HydrophobicContact CB-CG 4.35Å; M478-R484 PolarHBondContact O-NH2 3.05Å; M478-P487 HydrophobicContact SD-CG 4.36Å
479	D	84.5	Confident	94.7	Very high	89 Å²	89	19.9 Å²	19.9	48%	0.476	11%	0.105	S	C	.	.	S	Bend	trans	-90.4	-22.5	-174	58.6	-23.5	0	0	0	114.2
480	T	84.6	Confident	94.7	Very high	30 Å²	30	17.6 Å²	17.6	18%	0.184	9%	0.089	C	C	.	.	S	Bend	trans	-121.1	158.1	-179.7	75.4	0	0	0	0	112.4	E482 S483 R484	T480-E482 WeakPolarHBondContact CB-OE2 3.33Å; T480-E482 PolarHBondContact OG1-OE2 2.82Å; T480-S483 PolarHBondContact O-OG 3.26Å; T480-S483 WeakPolarHBondContact OG1-CB 3.44Å; T480-S483 PolarHBondContact OG1-N 3.46Å; T480-S483 PolarHBondContact OG1-OG 2.97Å; T480-R484 WeakPolarHBondContact O-CG 3.24Å
481	R	85.3	Confident	94.7	Very high	29 Å²	29	13.2 Å²	13.2	11%	0.109	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-40.3	177.1	175	174.2	177	-168.9	-2.1	112.1	S483 R484 Y568 F569 D572 V574 D586	R481-S483 VanDerWaalsContact C-N 3.29Å; R481-S483 PolarHBondContact O-N 3.42Å; R481-R484 WeakPolarHBondContact O-CB 3.3Å; R481-R484 PolarHBondContact O-N 2.96Å; R481-Y568 HydrophobicContact CG-CE1 4.14Å; R481-F569 HydrophobicContact CG-CE1 3.82Å; R481-F569 HydrophobicContact CG-CZ 4.34Å; R481-F569 WeakPolarHBondContact O-CZ 3.47Å; R481-D572 IonicContact CZ-OD2 3.33Å; R481-D572 VanDerWaalsContact CZ-OD2 3.31Å; R481-D572 IonicContact NH1-OD2 3.86Å; R481-D572 PolarHBondContact NH1-OD2 3.32Å; R481-D572 IonicContact NH2-OD2 3.91Å; R481-D572 PolarHBondContact NH2-OD2 2.95Å; R481-V574 PolarHBondContact NH2-O 2.97Å; R481-D586 HydrophobicContact CB-CB 4.47Å
482	E	88.3	Confident	94.6	Very high	7 Å²	7	13.3 Å²	13.3	3%	0.033	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-65.2	-38.6	-173.3	-54.8	68.6	-138.8	0	0	110.5	M442 P443 T480 R484 W485 P576 G577 S579	M442-E482 HydrophobicContact CB-CB 3.98Å; M442-E482 HydrophobicContact CG-CB 4.37Å; M442-E482 HydrophobicContact SD-CB 4.24Å; P443-E482 VanDerWaalsContact CD-O 3.29Å; P443-E482 WeakPolarHBondContact CD-O 3.29Å; T480-E482 WeakPolarHBondContact CB-OE2 3.33Å; T480-E482 PolarHBondContact OG1-OE2 2.82Å; E482-R484 PolarHBondContact O-N 2.89Å; E482-W485 VanDerWaalsContact O-CB 3.29Å; E482-W485 WeakPolarHBondContact O-CB 3.37Å; E482-W485 PolarHBondContact O-N 2.89Å; E482-W485 VanDerWaalsContact O-N 3.1Å; E482-P576 HydrophobicContact CG-CB 4.41Å; E482-G577 VanDerWaalsContact CD-O 3.27Å; E482-G577 WeakPolarHBondContact CG-O 3.39Å; E482-S579 VanDerWaalsContact CD-OG 3.29Å; E482-S579 WeakPolarHBondContact OE1-CB 3.19Å; E482-S579 PolarHBondContact OE1-OG 3.04Å; E482-S579 PolarHBondContact OE2-OG 3.34Å
483	S	91.1	Very high	94.5	Very high	4 Å²	4	10.6 Å²	10.6	3%	0.028	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-67.7	-23.2	-180	70.3	0	0	0	0	113.5	I440 M478 T480 R481 W485 P487	I440-S483 WeakPolarHBondContact CG2-O 3.32Å; M478-S483 WeakPolarHBondContact CB-OG 3.45Å; M478-S483 WeakPolarHBondContact CE-OG 3.22Å; M478-S483 VanDerWaalsContact SD-C 3.57Å; T480-S483 PolarHBondContact O-OG 3.26Å; T480-S483 WeakPolarHBondContact OG1-CB 3.44Å; T480-S483 PolarHBondContact OG1-N 3.46Å; T480-S483 PolarHBondContact OG1-OG 2.97Å; R481-S483 VanDerWaalsContact C-N 3.29Å; R481-S483 PolarHBondContact O-N 3.42Å; S483-W485 VanDerWaalsContact C-N 3.33Å; S483-P487 WeakPolarHBondContact O-CD 3.48Å
484	R	94.6	Very high	94.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-74.7	-18.8	173.3	-59.1	170.6	-172.5	-76.5	-2.9	113.4	L476 M478 T480 R481 E482 T488 N500 A501 F569 D586	L476-R484 HydrophobicContact CD1-CB 4.47Å; L476-R484 PolarHBondContact O-NH1 3.03Å; M478-R484 HydrophobicContact CB-CG 4.35Å; M478-R484 PolarHBondContact O-NH2 3.05Å; T480-R484 WeakPolarHBondContact O-CG 3.24Å; R481-R484 WeakPolarHBondContact O-CB 3.3Å; R481-R484 PolarHBondContact O-N 2.96Å; E482-R484 PolarHBondContact O-N 2.89Å; R484-T488 WeakPolarHBondContact O-CB 3.38Å; R484-T488 PolarHBondContact O-N 3.19Å; R484-T488 VanDerWaalsContact O-N 3.15Å; R484-T488 PolarHBondContact O-OG1 2.86Å; R484-N500 PolarHBondContact NH1-OD1 3.29Å; R484-A501 PolarHBondContact NH1-O 2.9Å; R484-A501 PolarHBondContact NH2-O 2.58Å; R484-F569 HydrophobicContact CB-CE2 4.31Å; R484-F569 HydrophobicContact CB-CZ 4.15Å; R484-D586 IonicContact CZ-OD1 2.85Å; R484-D586 IonicContact CZ-OD2 3.17Å; R484-D586 IonicContact NE-OD1 2.75Å; R484-D586 IonicContact NE-OD2 2.79Å; R484-D586 PolarHBondContact NE-OD2 3.03Å; R484-D586 VanDerWaalsContact NE-OD2 3.17Å; R484-D586 IonicContact NH2-OD1 2.76Å; R484-D586 PolarHBondContact NH2-OD1 3.39Å; R484-D586 IonicContact NH2-OD2 3.19Å
485	W	95.6	Very high	94.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.2	-55.6	-171.6	177.4	84.5	0	0	0	112.1	P443 E482 S483 T488 V489 F569 P576 T664 F681 L682 V685 F686 L693	P443-W485 HydrophobicContact CG-CB 3.78Å; P443-W485 HydrophobicContact CG-CD2 3.52Å; P443-W485 HydrophobicContact CG-CE3 3.49Å; P443-W485 VanDerWaalsContact CG-CE3 3.49Å; P443-W485 HydrophobicContact CG-CG 3.65Å; P443-W485 HydrophobicContact CG-CZ3 4.31Å; E482-W485 VanDerWaalsContact O-CB 3.29Å; E482-W485 WeakPolarHBondContact O-CB 3.37Å; E482-W485 PolarHBondContact O-N 2.89Å; E482-W485 VanDerWaalsContact O-N 3.1Å; S483-W485 VanDerWaalsContact C-N 3.33Å; W485-T488 WeakPolarHBondContact O-CA 3.37Å; W485-T488 VanDerWaalsContact O-CB 3.32Å; W485-T488 WeakPolarHBondContact O-CB 3.47Å; W485-T488 PolarHBondContact O-N 3.28Å; W485-V489 HydrophobicContact CD2-CG2 4.03Å; W485-V489 HydrophobicContact CE3-CG2 4.48Å; W485-V489 HydrophobicContact CH2-CG2 4.15Å; W485-V489 HydrophobicContact CZ2-CG2 3.69Å; W485-V489 WeakPolarHBondContact O-CG2 3.46Å; W485-V489 PolarHBondContact O-N 2.89Å; W485-F569 HydrophobicContact CB-CE1 4.31Å; W485-F569 HydrophobicContact CB-CE2 4.29Å; W485-F569 HydrophobicContact CB-CZ 3.77Å; W485-P576 HydrophobicContact CB-CG 4.24Å; W485-P576 HydrophobicContact CG-CG 4.04Å; W485-T664 PolarHBondContact NE1-O 2.86Å; W485-F681 HydrophobicContact CH2-CE1 4.26Å; W485-L682 HydrophobicContact CH2-CD2 3.79Å; W485-L682 HydrophobicContact CZ3-CD2 3.83Å; W485-V685 HydrophobicContact CE3-CG1 4.37Å; W485-V685 HydrophobicContact CH2-CB 3.98Å; W485-V685 HydrophobicContact CH2-CG1 3.59Å; W485-V685 HydrophobicContact CH2-CG2 3.88Å; W485-V685 HydrophobicContact CZ2-CG1 3.93Å; W485-V685 HydrophobicContact CZ2-CG2 4.28Å; W485-V685 HydrophobicContact CZ3-CB 4.36Å; W485-V685 HydrophobicContact CZ3-CG1 3.81Å; W485-F686 HydrophobicContact CE3-CE1 4.47Å; W485-F686 AromaticContact CZ3-CE1 4Å; W485-F686 HydrophobicContact CZ3-CE1 4Å; W485-L693 HydrophobicContact CZ2-CD1 3.99Å; W485-L693 HydrophobicContact CZ2-CD2 3.87Å
486	L	97	Very high	94.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.2	-49.6	-176.2	173	67.8	0	0	0	112.1	I440 P441 V461 L464 T488 V489 I490 L682 F686	I440-L486 HydrophobicContact CG2-CB 4.42Å; I440-L486 HydrophobicContact CG2-CD2 4.25Å; P441-L486 HydrophobicContact CB-CD2 4.43Å; P441-L486 HydrophobicContact CG-CD2 4.49Å; V461-L486 HydrophobicContact CG2-CD2 4.02Å; L464-L486 HydrophobicContact CD2-CD2 3.81Å; L464-L486 HydrophobicContact CD2-CG 4.01Å; L486-T488 PolarHBondContact O-N 3.06Å; L486-V489 PolarHBondContact O-N 3.32Å; L486-I490 HydrophobicContact CD1-CD1 3.74Å; L486-I490 HydrophobicContact CD1-CG1 4.03Å; L486-I490 HydrophobicContact CD2-CD1 4.47Å; L486-I490 HydrophobicContact CG-CD1 3.77Å; L486-I490 HydrophobicContact CG-CG1 4.44Å; L486-I490 WeakPolarHBondContact O-CG1 2.99Å; L486-I490 PolarHBondContact O-N 3.08Å; L486-L682 HydrophobicContact CD1-CD1 3.73Å; L486-L682 HydrophobicContact CD1-CD2 3.71Å; L486-L682 HydrophobicContact CD1-CG 4.34Å; L486-F686 HydrophobicContact CD1-CZ 4.19Å; L486-F686 HydrophobicContact CD2-CZ 4.04Å
487	P	97.9	Very high	94	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-56.4	-36	173	-26.8	34.3	0	0	0	114	L364 I440 L464 I468 L476 M478 S483 A491	L364-P487 HydrophobicContact CD1-CB 3.46Å; L364-P487 VanDerWaalsContact CD1-CB 3.46Å; L364-P487 HydrophobicContact CD1-CG 3.54Å; I440-P487 HydrophobicContact CD1-CG 4.22Å; I440-P487 HydrophobicContact CG2-CG 4.1Å; L464-P487 HydrophobicContact CD2-CG 4.19Å; I468-P487 HydrophobicContact CD1-CB 4.4Å; L476-P487 HydrophobicContact CD2-CB 3.57Å; L476-P487 HydrophobicContact CD2-CG 4.4Å; M478-P487 HydrophobicContact SD-CG 4.36Å; S483-P487 WeakPolarHBondContact O-CD 3.48Å; P487-A491 WeakPolarHBondContact O-CB 3.06Å; P487-A491 PolarHBondContact O-N 3.36Å
488	T	97.5	Very high	94.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65	-45.7	177.9	-62.7	0	0	0	0	111.5	L476 R484 W485 L486 A492 H513 C567 F569 A665	L476-T488 WeakPolarHBondContact CD1-OG1 3.46Å; R484-T488 WeakPolarHBondContact O-CB 3.38Å; R484-T488 PolarHBondContact O-N 3.19Å; R484-T488 VanDerWaalsContact O-N 3.15Å; R484-T488 PolarHBondContact O-OG1 2.86Å; W485-T488 WeakPolarHBondContact O-CA 3.37Å; W485-T488 VanDerWaalsContact O-CB 3.32Å; W485-T488 WeakPolarHBondContact O-CB 3.47Å; W485-T488 PolarHBondContact O-N 3.28Å; L486-T488 PolarHBondContact O-N 3.06Å; T488-A492 VanDerWaalsContact O-CB 3.22Å; T488-A492 WeakPolarHBondContact O-CB 3.48Å; T488-A492 PolarHBondContact O-N 3.47Å; T488-H513 PolarHBondContact OG1-CE1 3.47Å; T488-C567 HydrophobicContact CG2-CB 3.9Å; T488-F569 HydrophobicContact CG2-CD2 4.16Å; T488-F569 HydrophobicContact CG2-CE2 4.37Å; T488-A665 HydrophobicContact CG2-CB 3.93Å
489	V	97.6	Very high	94.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.1	-51.4	177.7	175.8	0	0	0	0	110.4	W485 L486 A491 A492 S493 A665 V670 L671 Y674	W485-V489 HydrophobicContact CD2-CG2 4.03Å; W485-V489 HydrophobicContact CE3-CG2 4.48Å; W485-V489 HydrophobicContact CH2-CG2 4.15Å; W485-V489 HydrophobicContact CZ2-CG2 3.69Å; W485-V489 WeakPolarHBondContact O-CG2 3.46Å; W485-V489 PolarHBondContact O-N 2.89Å; L486-V489 PolarHBondContact O-N 3.32Å; V489-A491 PolarHBondContact O-N 3.05Å; V489-A492 PolarHBondContact O-N 3.44Å; V489-S493 PolarHBondContact O-N 2.86Å; V489-A665 HydrophobicContact CG2-CB 4.26Å; V489-V670 HydrophobicContact CG1-CG1 4.48Å; V489-V670 HydrophobicContact CG2-CG1 4.25Å; V489-L671 HydrophobicContact CG1-CD2 4.47Å; V489-Y674 HydrophobicContact CG1-CD1 3.88Å; V489-Y674 HydrophobicContact CG1-CD2 4.26Å; V489-Y674 HydrophobicContact CG1-CG 3.73Å
490	I	98	Very high	95.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60	-48.3	-179	-61.7	168.1	0	0	0	110.3	L464 E465 I468 L486 A492 S493 K494 Y674	L464-I490 HydrophobicContact CD2-CD1 3.74Å; L464-I490 HydrophobicContact CG-CD1 3.97Å; E465-I490 HydrophobicContact CG-CD1 3.9Å; E465-I490 HydrophobicContact CG-CG1 4.23Å; E465-I490 HydrophobicContact CG-CG2 3.98Å; I468-I490 HydrophobicContact CB-CG2 4.19Å; I468-I490 HydrophobicContact CD1-CB 3.87Å; I468-I490 HydrophobicContact CD1-CD1 4.29Å; I468-I490 HydrophobicContact CD1-CG2 3.72Å; I468-I490 HydrophobicContact CG2-CG2 4.01Å; L486-I490 HydrophobicContact CD1-CD1 3.74Å; L486-I490 HydrophobicContact CD1-CG1 4.03Å; L486-I490 HydrophobicContact CD2-CD1 4.47Å; L486-I490 HydrophobicContact CG-CD1 3.77Å; L486-I490 HydrophobicContact CG-CG1 4.44Å; L486-I490 WeakPolarHBondContact O-CG1 2.99Å; L486-I490 PolarHBondContact O-N 3.08Å; I490-A492 VanDerWaalsContact C-N 3.35Å; I490-A492 PolarHBondContact O-N 3.49Å; I490-S493 PolarHBondContact O-N 3.27Å; I490-K494 HydrophobicContact CG2-CD 3.91Å; I490-K494 HydrophobicContact CG2-CG 4.31Å; I490-K494 WeakPolarHBondContact O-CB 3.27Å; I490-K494 WeakPolarHBondContact O-CG 3.35Å; I490-K494 PolarHBondContact O-N 3.46Å; I490-Y674 HydrophobicContact CG1-CE2 4.47Å
491	A	97.4	Very high	95.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.4	-36.1	-178.5	0	0	0	0	0	112.6	I468 P487 V489 K494 R495 K496 V498	I468-A491 HydrophobicContact CG2-CB 4.29Å; P487-A491 WeakPolarHBondContact O-CB 3.06Å; P487-A491 PolarHBondContact O-N 3.36Å; V489-A491 PolarHBondContact O-N 3.05Å; A491-K494 CarbonylContact O-C 3.57Å; A491-R495 WeakPolarHBondContact O-CA 3.36Å; A491-R495 PolarHBondContact O-N 3.44Å; A491-K496 HydrophobicContact CB-CB 4.15Å; A491-K496 PolarHBondContact O-N 3.39Å; A491-V498 HydrophobicContact CB-CG2 3.34Å
492	A	96.5	Very high	96	Very high	14 Å²	14	12.8 Å²	12.8	12%	0.116	6%	0.06	C	C	.	.	H	α-helix	trans	-65.1	-45.8	175.2	0	0	0	0	0	111.8	T488 V489 I490 R495 C666 L671	T488-A492 VanDerWaalsContact O-CB 3.22Å; T488-A492 WeakPolarHBondContact O-CB 3.48Å; T488-A492 PolarHBondContact O-N 3.47Å; V489-A492 PolarHBondContact O-N 3.44Å; I490-A492 VanDerWaalsContact C-N 3.35Å; I490-A492 PolarHBondContact O-N 3.49Å; A492-R495 PolarHBondContact O-N 2.87Å; A492-C666 HydrophobicContact CB-CB 4.39Å; A492-L671 HydrophobicContact CB-CD1 4.43Å; A492-L671 HydrophobicContact CB-CD2 3.87Å
493	S	96.1	Very high	96.1	Very high	20 Å²	20	12.7 Å²	12.7	14%	0.14	6%	0.059	C	C	.	.	H	α-helix	trans	-62.7	-45.5	175.3	174	0	0	0	0	111.6	V489 I490 R495 E675	V489-S493 PolarHBondContact O-N 2.86Å; I490-S493 PolarHBondContact O-N 3.27Å; S493-R495 PolarHBondContact O-N 3.48Å; S493-E675 WeakPolarHBondContact CB-OE1 3.11Å; S493-E675 VanDerWaalsContact OG-CG 3.24Å; S493-E675 WeakPolarHBondContact OG-CG 3.32Å; S493-E675 PolarHBondContact OG-OE1 2.98Å
494	K	95.5	Very high	95.9	Very high	68 Å²	68	12.7 Å²	12.7	30%	0.296	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	0.1	179.3	-63.6	-168.1	178.9	-164.3	0	114.5	E465 I468 S469 I490 A491 K496	E465-K494 PolarHBondContact O-NZ 3.43Å; I468-K494 HydrophobicContact CG2-CD 4.38Å; S469-K494 VanDerWaalsContact OG-CD 3.29Å; S469-K494 WeakPolarHBondContact OG-CD 3.32Å; S469-K494 PolarHBondContact OG-NZ 2.95Å; I490-K494 HydrophobicContact CG2-CD 3.91Å; I490-K494 HydrophobicContact CG2-CG 4.31Å; I490-K494 WeakPolarHBondContact O-CB 3.27Å; I490-K494 WeakPolarHBondContact O-CG 3.35Å; I490-K494 PolarHBondContact O-N 3.46Å; A491-K494 CarbonylContact O-C 3.57Å; K494-K496 VanDerWaalsContact C-N 3.32Å; K494-K496 HydrophobicContact CB-CG 4.05Å; K494-K496 PolarHBondContact O-N 3.09Å
495	R	95.1	Very high	95.5	Very high	92 Å²	92	18.6 Å²	18.6	35%	0.347	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	49	-179.3	-52.8	177.3	-170.2	125.8	23.4	112.3	A491 A492 S493 L515 K516 K517 P519	A491-R495 WeakPolarHBondContact O-CA 3.36Å; A491-R495 PolarHBondContact O-N 3.44Å; A492-R495 PolarHBondContact O-N 2.87Å; S493-R495 PolarHBondContact O-N 3.48Å; R495-L515 HydrophobicContact CB-CD1 4.26Å; R495-L515 VanDerWaalsContact O-CD1 3.3Å; R495-L515 WeakPolarHBondContact O-CD1 3.45Å; R495-K516 WeakPolarHBondContact CD-O 3.46Å; R495-K516 HydrophobicContact CG-CB 4.36Å; R495-K517 PolarHBondContact NE-O 3.22Å; R495-P519 VanDerWaalsContact NH2-CG 3.35Å
496	K	96.6	Very high	95.1	Very high	45 Å²	45	20.8 Å²	20.8	20%	0.196	10%	0.098	C	C	.	.			trans	-94.2	144.4	176.8	-66.3	-65.1	-174	162.3	0	110.6	I468 S469 H471 V474 A491 K494 V498	I468-K496 HydrophobicContact CG2-CB 4.28Å; I468-K496 HydrophobicContact CG2-CG 3.8Å; I468-K496 WeakPolarHBondContact O-CE 3.48Å; S469-K496 WeakPolarHBondContact O-CE 3.28Å; S469-K496 PolarHBondContact O-NZ 2.99Å; H471-K496 WeakPolarHBondContact O-CE 3.34Å; H471-K496 PolarHBondContact O-NZ 3.25Å; V474-K496 HydrophobicContact CG2-CB 4.37Å; A491-K496 HydrophobicContact CB-CB 4.15Å; A491-K496 PolarHBondContact O-N 3.39Å; K494-K496 VanDerWaalsContact C-N 3.32Å; K494-K496 HydrophobicContact CB-CG 4.05Å; K494-K496 PolarHBondContact O-N 3.09Å; K496-V498 PolarHBondContact O-N 3.12Å
497	L	97.6	Very high	94.7	Very high	17 Å²	17	22.2 Å²	22.2	9%	0.089	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	124	173.8	-177.3	62.6	0	0	0	108.5	V473 V474 I611	V473-L497 WeakPolarHBondContact CA-O 3.26Å; V473-L497 HydrophobicContact CG1-CD2 4.39Å; V473-L497 HydrophobicContact CG1-CG 4.41Å; V473-L497 HydrophobicContact CG2-CB 4.47Å; V473-L497 HydrophobicContact CG2-CD2 3.99Å; V474-L497 PolarHBondContact N-O 3.31Å; L497-I611 HydrophobicContact CD1-CD1 4.3Å; L497-I611 HydrophobicContact CD1-CG2 4.22Å; L497-I611 HydrophobicContact CD2-CB 4.34Å; L497-I611 HydrophobicContact CD2-CD1 4.32Å; L497-I611 HydrophobicContact CD2-CG2 3.62Å
498	V	98.6	Very high	94.5	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.3	179	-179.8	0	0	0	0	109.8	V474 L476 A491 K496 R512 H513	V474-V498 HydrophobicContact CB-CG2 4.41Å; V474-V498 VanDerWaalsContact O-CA 3.29Å; V474-V498 WeakPolarHBondContact O-CA 3.42Å; L476-V498 HydrophobicContact CD1-CG1 3.69Å; L476-V498 HydrophobicContact CD2-CG1 4.38Å; L476-V498 HydrophobicContact CG-CG1 3.63Å; A491-V498 HydrophobicContact CB-CG2 3.34Å; K496-V498 PolarHBondContact O-N 3.12Å; V498-R512 VanDerWaalsContact O-CA 3.24Å; V498-R512 WeakPolarHBondContact O-CA 3.31Å; V498-H513 HydrophobicContact CB-CB 4.02Å; V498-H513 WeakPolarHBondContact CG1-ND1 3.33Å; V498-H513 PolarHBondContact O-N 3.36Å
499	V	98.5	Very high	94.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	113.3	166.4	-178	0	0	0	0	108.2	V473 V474 F475 L476 V510 M511 A604 M608	V473-V499 HydrophobicContact CG1-CG2 4.3Å; V474-V499 PolarHBondContact O-N 2.87Å; F475-V499 CarbonylContact C-O 3.51Å; F475-V499 VanDerWaalsContact CA-O 3.27Å; F475-V499 WeakPolarHBondContact CA-O 3.32Å; F475-V499 HydrophobicContact CD1-CB 3.86Å; F475-V499 HydrophobicContact CD1-CG1 4.08Å; F475-V499 HydrophobicContact CE1-CB 3.83Å; F475-V499 HydrophobicContact CE1-CG1 3.92Å; F475-V499 HydrophobicContact CE1-CG2 4.34Å; L476-V499 PolarHBondContact N-O 3.27Å; V499-V510 HydrophobicContact CG1-CG1 4.33Å; V499-M511 CarbonylContact C-O 3.47Å; V499-M511 WeakPolarHBondContact CA-O 3.43Å; V499-A604 HydrophobicContact CG1-CB 3.87Å; V499-M608 HydrophobicContact CG2-CB 4.38Å
500	N	97.6	Very high	94.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.1	178.1	178.3	85	0	0	0	110.1	L476 R484 V510 M511 Y568	L476-N500 HydrophobicContact CB-CB 4.23Å; L476-N500 WeakPolarHBondContact CB-OD1 3.34Å; L476-N500 HydrophobicContact CD1-CB 4.43Å; R484-N500 PolarHBondContact NH1-OD1 3.29Å; N500-V510 CarbonylContact O-C 3.59Å; N500-V510 VanDerWaalsContact O-CA 3.3Å; N500-V510 WeakPolarHBondContact O-CA 3.31Å; N500-M511 HydrophobicContact CB-CG 4.01Å; N500-M511 PolarHBondContact N-O 3.25Å; N500-M511 PolarHBondContact O-N 3.39Å; N500-Y568 WeakPolarHBondContact ND2-CD2 3.31Å; N500-Y568 WeakPolarHBondContact ND2-CE2 3.32Å
501	A	96.4	Very high	94.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.1	168.6	0	0	0	0	0	110.5	L369 L476 L477 R484 V509 V510 A604	L369-A501 HydrophobicContact CD1-CB 4.03Å; L369-A501 WeakPolarHBondContact CD1-O 3.48Å; L369-A501 HydrophobicContact CD2-CB 4.2Å; L476-A501 PolarHBondContact O-N 3.38Å; L477-A501 HydrophobicContact CD2-CB 3.87Å; R484-A501 PolarHBondContact NH1-O 2.9Å; R484-A501 PolarHBondContact NH2-O 2.58Å; A501-V509 CarbonylContact C-O 3.54Å; A501-V509 VanDerWaalsContact CA-O 3.31Å; A501-V509 WeakPolarHBondContact CA-O 3.39Å; A501-V510 HydrophobicContact CB-CG2 4.19Å; A501-A604 HydrophobicContact CB-CB 4.46Å
502	A	92.4	Very high	94.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.2	-180	0	0	0	0	0	110.7	F508 V509 Y568 D586	A502-F508 WeakPolarHBondContact O-CA 3.44Å; A502-V509 HydrophobicContact CB-CG1 3.64Å; A502-V509 PolarHBondContact N-O 2.92Å; A502-V509 PolarHBondContact O-N 3.47Å; A502-Y568 HydrophobicContact CB-CE2 4.22Å; A502-D586 WeakPolarHBondContact CB-OD1 3.48Å
503	L	90.4	Very high	94.2	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.4	-174.4	-59.2	-179.5	0	0	0	110.6	L369 F508 D586 L596 A597 A600	L369-L503 HydrophobicContact CD1-CD1 4.31Å; L369-L503 HydrophobicContact CD1-CG 4.09Å; L369-L503 HydrophobicContact CD2-CD1 4.15Å; L369-L503 HydrophobicContact CD2-CD2 4.16Å; L369-L503 HydrophobicContact CD2-CG 4.22Å; L369-L503 HydrophobicContact CG-CD1 3.98Å; L369-L503 HydrophobicContact CG-CG 4.22Å; L503-F508 HydrophobicContact CD2-CB 3.75Å; L503-D586 PolarHBondContact O-N 3.43Å; L503-D586 VanDerWaalsContact O-N 3.14Å; L503-L596 HydrophobicContact CD2-CB 4.12Å; L503-A597 HydrophobicContact CD1-CB 3.82Å; L503-A600 HydrophobicContact CD2-CB 3.84Å
504	G	87.7	Confident	94.1	Very high	5 Å²	5	22.3 Å²	22.3	5%	0.052	11%	0.106	C	C	.	.			trans	-107.7	-164.9	161.9	0	0	0	0	0	110.4	T507 S592	G504-T507 PolarHBondContact N-O 2.83Å; G504-S592 VanDerWaalsContact O-CB 3.26Å; G504-S592 WeakPolarHBondContact O-CB 3.34Å
505	F	84.5	Confident	94	Very high	123 Å²	123	20 Å²	20	54%	0.539	10%	0.097	S	C	.	.	S	Bend	trans	-64.8	-52.8	176.8	174.2	-106.4	0	0	0	112.7	V591 R593 L596	F505-V591 WeakPolarHBondContact CD2-O 3.46Å; F505-R593 HydrophobicContact CZ-CG 4.41Å; F505-R593 WeakPolarHBondContact O-CG 3.36Å; F505-R593 PolarHBondContact O-N 2.85Å; F505-L596 WeakPolarHBondContact O-CD1 3.32Å
506	D	87.4	Confident	93.8	Very high	46 Å²	46	17.9 Å²	17.9	25%	0.246	9%	0.09	C	C	.	.	S	Bend	trans	-123.6	5.5	-178.1	73.8	-35	0	0	0	113.6	L647 S648	D506-L647 WeakPolarHBondContact O-CB 3.14Å; D506-L647 PolarHBondContact O-N 2.84Å; D506-S648 WeakPolarHBondContact OD2-CB 3.37Å; D506-S648 PolarHBondContact OD2-OG 2.83Å
507	T	89.6	Confident	93.3	Very high	31 Å²	31	21.6 Å²	21.6	19%	0.19	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	159.3	-177	53.6	0	0	0	0	112.1	G504 G645 F646	G504-T507 PolarHBondContact N-O 2.83Å; T507-G645 WeakPolarHBondContact CA-O 3.15Å; T507-F646 HydrophobicContact CG2-CD1 3.35Å; T507-F646 HydrophobicContact CG2-CE1 3.73Å; T507-F646 HydrophobicContact CG2-CG 4.16Å
508	F	92.5	Very high	92.2	Very high	9 Å²	9	24.5 Å²	24.5	4%	0.039	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159.4	169.2	69.1	-96.9	0	0	0	111	A502 L503 V510 L596 I599 A600 L603 I643 R644 G645	A502-F508 WeakPolarHBondContact O-CA 3.44Å; L503-F508 HydrophobicContact CD2-CB 3.75Å; F508-V510 HydrophobicContact CD2-CG2 4.03Å; F508-V510 HydrophobicContact CE2-CG2 4.26Å; F508-L596 HydrophobicContact CD1-CD2 3.82Å; F508-I599 HydrophobicContact CD1-CG2 4.46Å; F508-I599 HydrophobicContact CE1-CB 4.36Å; F508-I599 HydrophobicContact CE1-CG2 3.57Å; F508-I599 HydrophobicContact CZ-CG2 3.72Å; F508-A600 HydrophobicContact CB-CB 3.97Å; F508-A600 HydrophobicContact CD2-CB 3.92Å; F508-A600 HydrophobicContact CG-CB 3.91Å; F508-L603 HydrophobicContact CE1-CD1 4.49Å; F508-L603 HydrophobicContact CE2-CD1 3.5Å; F508-L603 HydrophobicContact CZ-CD1 3.37Å; F508-I643 HydrophobicContact CE2-CG2 4.24Å; F508-R644 WeakPolarHBondContact O-CA 3.38Å; F508-G645 PolarHBondContact N-O 3.19Å; F508-G645 PolarHBondContact O-N 3.48Å
509	V	93.8	Very high	90.8	Very high	3 Å²	3	29 Å²	29	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.7	166.1	60.7	0	0	0	0	109.7	A501 A502 Y568 I643 R644	A501-V509 CarbonylContact C-O 3.54Å; A501-V509 VanDerWaalsContact CA-O 3.31Å; A501-V509 WeakPolarHBondContact CA-O 3.39Å; A502-V509 HydrophobicContact CB-CG1 3.64Å; A502-V509 PolarHBondContact N-O 2.92Å; A502-V509 PolarHBondContact O-N 3.47Å; V509-Y568 HydrophobicContact CG1-CE2 4.03Å; V509-I643 WeakPolarHBondContact CA-O 3.27Å; V509-R644 HydrophobicContact CB-CG 4.36Å; V509-R644 HydrophobicContact CG2-CG 4.02Å
510	V	97.1	Very high	88.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.1	168.3	173.7	0	0	0	0	107	V499 N500 A501 F508 A600 L603 A604 L607 Q642 I643	V499-V510 HydrophobicContact CG1-CG1 4.33Å; N500-V510 CarbonylContact O-C 3.59Å; N500-V510 VanDerWaalsContact O-CA 3.3Å; N500-V510 WeakPolarHBondContact O-CA 3.31Å; A501-V510 HydrophobicContact CB-CG2 4.19Å; F508-V510 HydrophobicContact CD2-CG2 4.03Å; F508-V510 HydrophobicContact CE2-CG2 4.26Å; V510-A600 HydrophobicContact CG2-CB 3.99Å; V510-A600 WeakPolarHBondContact CG2-O 3.31Å; V510-L603 HydrophobicContact CG2-CB 4.25Å; V510-A604 HydrophobicContact CG1-CB 3.91Å; V510-A604 HydrophobicContact CG2-CB 4.44Å; V510-L607 HydrophobicContact CG1-CD2 4.06Å; V510-Q642 CarbonylContact O-C 3.52Å; V510-Q642 WeakPolarHBondContact O-CA 3.44Å; V510-I643 HydrophobicContact CB-CB 4.35Å; V510-I643 PolarHBondContact N-O 3.17Å; V510-I643 PolarHBondContact O-N 3.35Å
511	M	96.3	Very high	86.2	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	152.3	179.8	66.3	179.9	-67	0	0	112.9	V499 N500 Y568 H641 Q642	V499-M511 CarbonylContact C-O 3.47Å; V499-M511 WeakPolarHBondContact CA-O 3.43Å; N500-M511 HydrophobicContact CB-CG 4.01Å; N500-M511 PolarHBondContact N-O 3.25Å; N500-M511 PolarHBondContact O-N 3.39Å; M511-Y568 HydrophobicContact SD-CD2 3.91Å; M511-H641 CarbonylContact C-O 3.53Å; M511-H641 WeakPolarHBondContact CA-O 3.4Å; M511-H641 VanDerWaalsContact CB-O 3.27Å; M511-H641 WeakPolarHBondContact CB-O 3.26Å; M511-H641 WeakPolarHBondContact CE-NE2 3.44Å; M511-Q642 HydrophobicContact CB-CB 4.07Å; M511-Q642 HydrophobicContact CB-CG 3.75Å; M511-Q642 HydrophobicContact CE-CG 4.1Å; M511-Q642 HydrophobicContact SD-CG 4.33Å
512	R	96.7	Very high	83.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	141.9	167.2	66.6	-175.9	176	109	-10.2	110.3	V498 L565 L607 I611 G618 A620 V621 V639 P640 H641	V498-R512 VanDerWaalsContact O-CA 3.24Å; V498-R512 WeakPolarHBondContact O-CA 3.31Å; R512-L565 HydrophobicContact CG-CD1 4.48Å; R512-L565 VanDerWaalsContact NH1-CD1 3.28Å; R512-L607 HydrophobicContact CB-CD2 4.35Å; R512-I611 HydrophobicContact CB-CD1 3.96Å; R512-I611 HydrophobicContact CG-CD1 4.4Å; R512-G618 PolarHBondContact NH1-O 3.05Å; R512-A620 PolarHBondContact NH1-O 2.96Å; R512-A620 PolarHBondContact NH2-O 2.8Å; R512-V621 PolarHBondContact NH2-O 2.83Å; R512-V639 PolarHBondContact NH2-O 2.67Å; R512-V639 VanDerWaalsContact NH2-O 3.1Å; R512-P640 PolarHBondContact NE-O 3.46Å; R512-P640 VanDerWaalsContact NE-O 3.08Å; R512-H641 PolarHBondContact N-O 2.98Å; R512-H641 PolarHBondContact O-CD2 2.64Å; R512-H641 PolarHBondContact O-NE2 3.39Å
513	H	97.2	Very high	80.4	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.056	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-79.1	156.9	172.3	-65.2	176.3	0	0	0	111.5	T488 V498 L515 C567 Y568	T488-H513 PolarHBondContact OG1-CE1 3.47Å; V498-H513 HydrophobicContact CB-CB 4.02Å; V498-H513 WeakPolarHBondContact CG1-ND1 3.33Å; V498-H513 PolarHBondContact O-N 3.36Å; H513-L515 PolarHBondContact O-N 2.91Å; H513-C567 HydrophobicContact CB-CB 4.37Å; H513-Y568 PolarHBondContact NE2-N 3.44Å
514	G	94.1	Very high	77.9	Confident	11 Å²	11	59.6 Å²	59.6	11%	0.113	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-68.3	129.7	171.5	0	0	0	0	0	113.4	K516 G562 L565	G514-K516 PolarHBondContact O-N 3.02Å; G514-G562 WeakPolarHBondContact CA-O 3.48Å; G514-L565 WeakPolarHBondContact CA-O 3.11Å; G514-L565 PolarHBondContact N-O 2.89Å
515	L	93.6	Very high	75.4	Confident	20 Å²	20	65.2 Å²	65.2	11%	0.105	37%	0.372	C	S	.	.			trans	-86.1	107.7	-177.8	-170.2	63.4	0	0	0	110.5	R495 H513 G562 H563 Y619	R495-L515 HydrophobicContact CB-CD1 4.26Å; R495-L515 VanDerWaalsContact O-CD1 3.3Å; R495-L515 WeakPolarHBondContact O-CD1 3.45Å; H513-L515 PolarHBondContact O-N 2.91Å; L515-G562 PolarHBondContact N-O 3.38Å; L515-H563 WeakPolarHBondContact O-CA 3.4Å; L515-H563 WeakPolarHBondContact O-CB 3.21Å; L515-Y619 HydrophobicContact CB-CD1 4.15Å; L515-Y619 HydrophobicContact CB-CE1 3.97Å; L515-Y619 HydrophobicContact CD2-CD1 4.18Å; L515-Y619 HydrophobicContact CD2-CD2 3.93Å; L515-Y619 HydrophobicContact CD2-CE1 3.83Å; L515-Y619 HydrophobicContact CD2-CE2 3.53Å; L515-Y619 HydrophobicContact CD2-CG 4.24Å; L515-Y619 VanDerWaalsContact CD2-CZ 3.48Å; L515-Y619 HydrophobicContact CG-CD1 4.36Å; L515-Y619 HydrophobicContact CG-CE1 3.79Å; L515-Y619 HydrophobicContact CG-CE2 4.35Å; L515-Y619 VanDerWaalsContact O-CE1 3.25Å; L515-Y619 WeakPolarHBondContact O-CE1 3.37Å
516	K	90.1	Very high	72.9	Confident	47 Å²	47	65.8 Å²	65.8	20%	0.204	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-63.2	139.7	-175.9	-58.3	-63.1	-172	174.4	0	111.5	R495 G514 C666 L671	R495-K516 WeakPolarHBondContact CD-O 3.46Å; R495-K516 HydrophobicContact CG-CB 4.36Å; G514-K516 PolarHBondContact O-N 3.02Å; K516-C666 WeakPolarHBondContact CE-O 3.34Å; K516-C666 PolarHBondContact NZ-O 3.06Å; K516-L671 HydrophobicContact CG-CD1 4.5Å
517	K	86.3	Confident	70.3	Confident	123 Å²	123	67.9 Å²	67.9	54%	0.535	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-68.9	155.4	174.9	-77.1	-176.6	174.3	177.3	0	111.2	R495 H563 Y619	R495-K517 PolarHBondContact NE-O 3.22Å; K517-H563 HydrophobicContact CG-CB 3.96Å; K517-Y619 HydrophobicContact CG-CE1 4.49Å
518	P	76.1	Confident	67.8	Low	77 Å²	77	72.4 Å²	72.4	50%	0.5	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-56.6	150.9	167.6	-19.4	31.1	0	0	0	111.9	V520	P518-V520 PolarHBondContact O-N 3Å
519	P	67.7	Low	64.7	Low	98 Å²	98	79.9 Å²	79.9	64%	0.636	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-67.2	122	172.3	-1.4	23.2	0	0	0	105	R495 S521	R495-P519 VanDerWaalsContact NH2-CG 3.35Å; P519-S521 PolarHBondContact O-N 2.89Å
520	V	59.6	Low	61.7	Low	132 Å²	132	84.6 Å²	84.6	80%	0.8	51%	0.511	S	S	*	.			trans	-65.8	110.7	175	-176.5	0	0	0	0	106.3	P518 Q522	P518-V520 PolarHBondContact O-N 3Å; V520-Q522 PolarHBondContact O-N 2.71Å; V520-Q522 VanDerWaalsContact O-N 3.13Å
521	S	40.4	Very low	58.5	Low	103 Å²	103	89.8 Å²	89.8	72%	0.72	55%	0.547	S	S	*	.			trans	-58.8	118.6	163.3	44	0	0	0	0	106.1	P519 S523	P519-S521 PolarHBondContact O-N 2.89Å; S521-S523 PolarHBondContact O-N 3.02Å
522	Q	34.8	Very low	55.3	Low	190 Å²	190	96.1 Å²	96.1	89%	0.888	59%	0.586	S	S	*	*			trans	-63.7	86.9	173	-72.2	-179.6	-12.1	0	0	108.2	V520 V524	V520-Q522 PolarHBondContact O-N 2.71Å; V520-Q522 VanDerWaalsContact O-N 3.13Å; Q522-V524 PolarHBondContact O-N 3.44Å
523	S	33.1	Very low	52.1	Low	101 Å²	101	100.8 Å²	100.8	71%	0.706	62%	0.619	S	S	*	*			trans	-71.8	111.4	155	43.9	0	0	0	0	106.4	S521 P525	S521-S523 PolarHBondContact O-N 3.02Å; S523-P525 WeakPolarHBondContact O-CD 3.49Å
524	V	36.9	Very low	48.7	Very low	120 Å²	120	106.4 Å²	106.4	73%	0.727	66%	0.658	S	S	*	*			trans	-49.2	119.8	170.5	179.2	0	0	0	0	108.4	Q522 T526	Q522-V524 PolarHBondContact O-N 3.44Å; V524-T526 PolarHBondContact O-N 3.39Å; V524-T526 VanDerWaalsContact O-N 3.16Å
525	P	35.1	Very low	45.5	Very low	122 Å²	122	111.1 Å²	111.1	79%	0.792	69%	0.69	S	S	*	*			trans	-76.8	107.3	173.7	-0.9	17.4	0	0	0	108.1	S523	S523-P525 WeakPolarHBondContact O-CD 3.49Å
526	T	33.3	Very low	42.7	Very low	136 Å²	136	116 Å²	116	83%	0.834	73%	0.726	S	S	*	*			trans	-92.9	91.7	158.1	32.2	0	0	0	0	107.6	V524	V524-T526 PolarHBondContact O-N 3.39Å; V524-T526 VanDerWaalsContact O-N 3.16Å
527	A	32.1	Very low	39.7	Very low	89 Å²	89	118.8 Å²	118.8	74%	0.736	76%	0.757	S	S	*	*			trans	174.9	128.9	144.7	0	0	0	0	0	109.1
528	T	36.2	Very low	36.9	Very low	127 Å²	127	118.3 Å²	118.3	78%	0.779	77%	0.769	S	S	*	*			trans	-48.9	128.9	169.3	42.9	0	0	0	0	112.9
529	D	28.3	Very low	35	Very low	165 Å²	165	120 Å²	120	88%	0.882	78%	0.783	S	S	*	*				-159	147.8	129.7	-96.4	-19.9	0	0	0	111.1
530	S	31.6	Very low	33	Very low	102 Å²	102	121.3 Å²	121.3	71%	0.713	79%	0.794	S	S	*	*			trans	-90	156.4	-148.2	44.3	0	0	0	0	115.9
531	S	30	Very low	31.7	Very low	109 Å²	109	120.2 Å²	120.2	76%	0.762	79%	0.793	S	S	*	*			trans	71.3	116	163.4	68.7	0	0	0	0	115.8
532	T	28.7	Very low	31.1	Very low	134 Å²	134	121 Å²	121	82%	0.822	80%	0.798	S	S	*	*				-161.6	138	66.5	-51	0	0	0	0	110.3
533	S	28.6	Very low	31	Very low	98 Å²	98	118.5 Å²	118.5	69%	0.685	80%	0.796	S	S	*	*			trans	-60.9	135.5	-175.6	44.3	0	0	0	0	115
534	C	26.6	Very low	31.5	Very low	130 Å²	130	119.2 Å²	119.2	88%	0.878	80%	0.798	S	S	*	*			trans	-63.8	136.2	159.9	23.4	0	0	0	0	111
535	S	27.5	Very low	31.1	Very low	111 Å²	111	118.6 Å²	118.6	78%	0.776	81%	0.806	S	S	*	*			trans	-137.2	113.2	166.7	-58.4	0	0	0	0	108.7
536	S	33.1	Very low	30.7	Very low	123 Å²	123	116.7 Å²	116.7	86%	0.86	81%	0.808	S	S	*	*			trans	-63.9	131.3	162.8	46.3	0	0	0	0	110.6
537	A	27.7	Very low	30.5	Very low	104 Å²	104	115.4 Å²	115.4	86%	0.86	81%	0.811	S	S	*	*			trans	-154.8	127.9	157.4	0	0	0	0	0	111.9
538	S	27.5	Very low	30.3	Very low	114 Å²	114	115.8 Å²	115.8	80%	0.797	81%	0.814	S	S	*	*			trans	-70.9	160.2	173.3	43.1	0	0	0	0	113.8
539	S	35.3	Very low	30.2	Very low	112 Å²	112	115.6 Å²	115.6	78%	0.783	82%	0.816	S	S	*	*			trans	-29.2	139.7	168.6	53.2	0	0	0	0	119.5
540	S	26.1	Very low	30.2	Very low	126 Å²	126	111.5 Å²	111.5	88%	0.881	81%	0.812	S	S	*	*				-177.3	153.4	129.2	54.6	0	0	0	0	112.5
541	S	31.9	Very low	30.2	Very low	109 Å²	109	113.1 Å²	113.1	76%	0.762	82%	0.817	S	S	*	*			trans	-84	166.6	-169.1	44.6	0	0	0	0	116.7
542	S	29.6	Very low	30.4	Very low	120 Å²	120	113.7 Å²	113.7	84%	0.839	82%	0.818	S	S	*	*			trans	95.7	131.9	158.1	72.1	0	0	0	0	120.5
543	T	31.5	Very low	30.6	Very low	136 Å²	136	111 Å²	111	83%	0.834	82%	0.818	S	S	*	*			trans	-73.6	177.9	-169.7	34.3	0	0	0	0	114.8
544	P	44	Very low	31	Very low	117 Å²	117	111.1 Å²	111.1	76%	0.76	82%	0.819	S	S	*	*			cis	-144.6	173.4	19.5	39.3	-17	0	0	0	119.7
545	A	28.7	Very low	31.8	Very low	107 Å²	107	108.3 Å²	108.3	88%	0.884	80%	0.8	S	S	*	*			trans	66.8	118.1	147.5	0	0	0	0	0	122
546	G	25.6	Very low	32.7	Very low	82 Å²	82	110.9 Å²	110.9	85%	0.845	80%	0.804	S	S	*	*			trans	163.6	106.4	161.2	0	0	0	0	0	112.7
547	A	30.5	Very low	33.7	Very low	108 Å²	108	111.3 Å²	111.3	89%	0.893	79%	0.791	S	S	*	*			trans	-86.9	137.9	-172.3	0	0	0	0	0	114.1
548	A	26.9	Very low	35.5	Very low	97 Å²	97	107.4 Å²	107.4	80%	0.802	76%	0.757	S	S	*	*			trans	-175.5	164.8	143.4	0	0	0	0	0	110.8
549	P	34.2	Very low	38.2	Very low	124 Å²	124	106.2 Å²	106.2	81%	0.805	74%	0.742	S	S	*	*	P	Polyproline II helix		-89.3	151.6	-99.6	30.2	-13	0	0	0	114.6
550	G	29.4	Very low	40.8	Very low	79 Å²	79	101.1 Å²	101.1	81%	0.814	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-65.3	128.8	-171.2	0	0	0	0	0	115.9
551	V	30.2	Very low	43.9	Very low	135 Å²	135	97.4 Å²	97.4	82%	0.818	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-88.6	125	148.5	-179.8	0	0	0	0	106.1	G553	V551-G553 PolarHBondContact O-N 3.42Å
552	P	34.5	Very low	46.7	Very low	121 Å²	121	92.2 Å²	92.2	79%	0.786	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-63.6	122.2	173.8	-11.1	25.4	0	0	0	107.9	S554	P552-S554 PolarHBondContact O-N 3.11Å
553	G	33.3	Very low	49.7	Very low	79 Å²	79	88.7 Å²	88.7	81%	0.814	61%	0.613	S	S	*	*			trans	-59.2	103	-178.2	0	0	0	0	0	111.5	V551 S555	V551-G553 PolarHBondContact O-N 3.42Å; G553-S555 PolarHBondContact O-N 3.42Å; G553-S555 VanDerWaalsContact O-N 3.15Å
554	S	37.3	Very low	52.7	Low	100 Å²	100	87.5 Å²	87.5	70%	0.699	60%	0.596	S	S	*	*			trans	-69.5	107.9	159.4	65.8	0	0	0	0	106.9	P552 L556	P552-S554 PolarHBondContact O-N 3.11Å; S554-L556 PolarHBondContact O-N 2.77Å; S554-L556 VanDerWaalsContact O-N 3.14Å
555	S	43	Very low	55.1	Low	70 Å²	70	82 Å²	82	49%	0.49	56%	0.56	S	S	.	*			trans	-40.4	120.8	168	162.2	0	0	0	0	110.1	G553 F557 S558	G553-S555 PolarHBondContact O-N 3.42Å; G553-S555 VanDerWaalsContact O-N 3.15Å; S555-F557 PolarHBondContact O-N 2.72Å; S555-F557 PolarHBondContact OG-N 2.82Å; S555-S558 PolarHBondContact O-N 3.05Å; S555-S558 PolarHBondContact O-OG 3.15Å; S555-S558 VanDerWaalsContact O-OG 3.13Å
556	L	47.1	Very low	58.2	Low	165 Å²	165	76.9 Å²	76.9	86%	0.864	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-5.1	177.1	-77.8	160	0	0	0	113.7	S554	S554-L556 PolarHBondContact O-N 2.77Å; S554-L556 VanDerWaalsContact O-N 3.14Å
557	F	53.8	Low	61.6	Low	132 Å²	132	73.2 Å²	73.2	58%	0.579	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	5.3	-178.7	-60.4	-80.4	0	0	0	113.9	S555 S624 L658	S555-F557 PolarHBondContact O-N 2.72Å; S555-F557 PolarHBondContact OG-N 2.82Å; F557-S624 PolarHBondContact O-OG 3.31Å; F557-L658 HydrophobicContact CD1-CD1 3.78Å; F557-L658 HydrophobicContact CE1-CD1 3.65Å
558	S	66.2	Low	64.6	Low	22 Å²	22	69.6 Å²	69.6	15%	0.154	44%	0.443	C	S	.	.	S	Bend	trans	-73.5	-37.2	-177.1	62.8	0	0	0	0	113.2	S555 S623 S624	S555-S558 PolarHBondContact O-N 3.05Å; S555-S558 PolarHBondContact O-OG 3.15Å; S555-S558 VanDerWaalsContact O-OG 3.13Å; S558-S623 CarbonylContact O-C 3.47Å; S558-S623 WeakPolarHBondContact O-CA 3.45Å; S558-S623 PolarHBondContact O-OG 2.89Å; S558-S623 VanDerWaalsContact O-OG 3.07Å; S558-S624 WeakPolarHBondContact CA-OG 3.3Å; S558-S624 PolarHBondContact O-N 3.39Å; S558-S624 PolarHBondContact O-OG 3Å
559	N	84.1	Confident	67.7	Low	89 Å²	89	65 Å²	65	48%	0.476	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	109.7	-175.9	-70	-25	0	0	0	110.9	V621 S623	N559-V621 HydrophobicContact CB-CG1 3.92Å; N559-S623 WeakPolarHBondContact OD1-CB 3.45Å; N559-S623 PolarHBondContact OD1-OG 3.4Å
560	I	88.8	Confident	70.4	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.031	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.3	-177	-56.2	175.3	0	0	0	109.8	K564 L565 V621 A622 A656 L658	I560-K564 HydrophobicContact CG2-CB 4.04Å; I560-L565 HydrophobicContact CB-CD2 3.75Å; I560-L565 HydrophobicContact CG2-CD2 3.53Å; I560-L565 HydrophobicContact CG2-CG 4.25Å; I560-V621 WeakPolarHBondContact O-CA 3.33Å; I560-A622 PolarHBondContact N-O 2.81Å; I560-A622 PolarHBondContact O-N 2.91Å; I560-A656 HydrophobicContact CD1-CB 3.91Å; I560-L658 HydrophobicContact CB-CD2 4.48Å; I560-L658 HydrophobicContact CD1-CD2 4.15Å; I560-L658 HydrophobicContact CD1-CG 3.99Å; I560-L658 HydrophobicContact CG1-CD2 4.15Å; I560-L658 HydrophobicContact CG1-CG 4.45Å; I560-L658 HydrophobicContact CG2-CD2 3.57Å; I560-L658 HydrophobicContact CG2-CG 4.49Å
561	P	90.9	Very high	72.6	Confident	48 Å²	48	59.5 Å²	59.5	31%	0.312	35%	0.351	S	S	.	.			trans	-60	143.3	174.3	-24.3	34.4	0	0	0	112.3	H563 K564 L565	P561-H563 WeakPolarHBondContact CB-CE1 3.13Å; P561-H563 PolarHBondContact O-N 3.03Å; P561-K564 PolarHBondContact O-N 3.39Å; P561-L565 PolarHBondContact O-N 2.92Å
562	G	91.5	Very high	74.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-54.5	-33.3	-175.2	0	0	0	0	0	114.8	G514 L515 K564 L565 Y619 A620	G514-G562 WeakPolarHBondContact CA-O 3.48Å; L515-G562 PolarHBondContact N-O 3.38Å; G562-K564 VanDerWaalsContact C-N 3.27Å; G562-K564 PolarHBondContact O-N 3.24Å; G562-L565 PolarHBondContact O-N 3.3Å; G562-Y619 WeakPolarHBondContact CA-O 3.43Å; G562-Y619 PolarHBondContact N-O 3.36Å; G562-Y619 VanDerWaalsContact N-O 3.13Å; G562-A620 VanDerWaalsContact CA-O 3.23Å; G562-A620 WeakPolarHBondContact CA-O 3.5Å; G562-A620 PolarHBondContact N-O 2.96Å
563	H	93.4	Very high	75.2	Confident	46 Å²	46	53 Å²	53	21%	0.213	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-73.4	-13.4	177.4	67.6	-80	0	0	0	115.4	L515 K517 P561 Y619	L515-H563 WeakPolarHBondContact O-CA 3.4Å; L515-H563 WeakPolarHBondContact O-CB 3.21Å; K517-H563 HydrophobicContact CG-CB 3.96Å; P561-H563 WeakPolarHBondContact CB-CE1 3.13Å; P561-H563 PolarHBondContact O-N 3.03Å; H563-Y619 HydrophobicContact CB-CD1 4.07Å; H563-Y619 HydrophobicContact CB-CE1 4.31Å
564	K	93.6	Very high	76.1	Confident	110 Å²	110	51.6 Å²	51.6	48%	0.478	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-105.3	2.7	177.6	-65.1	-169.4	176.8	-176.6	0	112.8	I560 P561 G562 L658 A659	I560-K564 HydrophobicContact CG2-CB 4.04Å; P561-K564 PolarHBondContact O-N 3.39Å; G562-K564 VanDerWaalsContact C-N 3.27Å; G562-K564 PolarHBondContact O-N 3.24Å; K564-L658 HydrophobicContact CB-CD2 4.11Å; K564-L658 CarbonylContact O-C 3.03Å; K564-L658 WeakPolarHBondContact O-CA 3.37Å; K564-A659 PolarHBondContact O-N 3.04Å
565	L	94.6	Very high	76.7	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-69.2	145.1	177.7	-64.3	174.4	0	0	0	111.4	R512 G514 I560 P561 G562 A622 H641	R512-L565 HydrophobicContact CG-CD1 4.48Å; R512-L565 VanDerWaalsContact NH1-CD1 3.28Å; G514-L565 WeakPolarHBondContact CA-O 3.11Å; G514-L565 PolarHBondContact N-O 2.89Å; I560-L565 HydrophobicContact CB-CD2 3.75Å; I560-L565 HydrophobicContact CG2-CD2 3.53Å; I560-L565 HydrophobicContact CG2-CG 4.25Å; P561-L565 PolarHBondContact O-N 2.92Å; G562-L565 PolarHBondContact O-N 3.3Å; L565-A622 HydrophobicContact CD1-CB 4.35Å; L565-A622 HydrophobicContact CD2-CB 4.01Å; L565-H641 HydrophobicContact CD1-CB 4.31Å; L565-H641 HydrophobicContact CD2-CB 3.93Å
566	G	94.1	Very high	77.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.			trans	-67.3	158.7	175	0	0	0	0	0	113.5	C570 H641 S657	G566-C570 VanDerWaalsContact CA-SG 3.6Å; G566-H641 PolarHBondContact O-NE2 3.27Å; G566-S657 PolarHBondContact N-O 2.76Å
567	C	95.6	Very high	77.5	Confident	4 Å²	4	36.8 Å²	36.8	3%	0.027	20%	0.195	C	C	.	.			trans	-91.6	-179.9	162.7	75.9	0	0	0	0	110.1	T488 H513 F569 C570 C663 C666	T488-C567 HydrophobicContact CG2-CB 3.9Å; H513-C567 HydrophobicContact CB-CB 4.37Å; C567-F569 PolarHBondContact O-N 3.24Å; C567-F569 VanDerWaalsContact O-N 3.09Å; C567-F569 PolarHBondContact SG-N 3.06Å; C567-F569 VanDerWaalsContact SG-N 3.42Å; C567-C570 PolarHBondContact N-SG 3.11Å; C567-C570 PolarHBondContact O-N 2.87Å; C567-C663 VanDerWaalsContact SG-SG 3.65Å; C567-C666 HydrophobicContact CB-CB 4.23Å
568	Y	93.9	Very high	77.5	Confident	33 Å²	33	35 Å²	35	13%	0.129	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-32.8	176.2	-169.7	-115.2	0	0	0	114.1	R481 N500 A502 V509 M511 H513 D586	R481-Y568 HydrophobicContact CG-CE1 4.14Å; N500-Y568 WeakPolarHBondContact ND2-CD2 3.31Å; N500-Y568 WeakPolarHBondContact ND2-CE2 3.32Å; A502-Y568 HydrophobicContact CB-CE2 4.22Å; V509-Y568 HydrophobicContact CG1-CE2 4.03Å; M511-Y568 HydrophobicContact SD-CD2 3.91Å; H513-Y568 PolarHBondContact NE2-N 3.44Å; Y568-D586 WeakPolarHBondContact CE1-OD2 3.36Å; Y568-D586 VanDerWaalsContact CZ-OD2 3.3Å; Y568-D586 PolarHBondContact OH-OD2 3.44Å
569	F	92.8	Very high	76.8	Confident	1 Å²	1	35.5 Å²	35.5	0%	0.004	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	2.7	-177.1	-59.9	-91.2	0	0	0	114.5	R481 R484 W485 T488 C567 P576 A665	R481-F569 HydrophobicContact CG-CE1 3.82Å; R481-F569 HydrophobicContact CG-CZ 4.34Å; R481-F569 WeakPolarHBondContact O-CZ 3.47Å; R484-F569 HydrophobicContact CB-CE2 4.31Å; R484-F569 HydrophobicContact CB-CZ 4.15Å; W485-F569 HydrophobicContact CB-CE1 4.31Å; W485-F569 HydrophobicContact CB-CE2 4.29Å; W485-F569 HydrophobicContact CB-CZ 3.77Å; T488-F569 HydrophobicContact CG2-CD2 4.16Å; T488-F569 HydrophobicContact CG2-CE2 4.37Å; C567-F569 PolarHBondContact O-N 3.24Å; C567-F569 VanDerWaalsContact O-N 3.09Å; C567-F569 PolarHBondContact SG-N 3.06Å; C567-F569 VanDerWaalsContact SG-N 3.42Å; F569-P576 HydrophobicContact CD1-CG 4.35Å; F569-P576 HydrophobicContact CE1-CB 4.02Å; F569-P576 HydrophobicContact CE1-CG 3.97Å; F569-A665 HydrophobicContact CB-CB 3.93Å; F569-A665 HydrophobicContact CD2-CB 3.62Å; F569-A665 HydrophobicContact CE2-CB 4.38Å; F569-A665 HydrophobicContact CG-CB 3.9Å
570	C	90.3	Very high	75.3	Confident	9 Å²	9	36 Å²	36	6%	0.061	20%	0.202	C	C	.	.	S	Bend	trans	-80.1	-23.6	-178	-76.4	0	0	0	0	114.2	G566 C567 F660 C666	G566-C570 VanDerWaalsContact CA-SG 3.6Å; C567-C570 PolarHBondContact N-SG 3.11Å; C567-C570 PolarHBondContact O-N 2.87Å; C570-F660 HydrophobicContact CB-CB 4.08Å; C570-F660 PolarHBondContact SG-N 3.31Å; C570-C666 PolarHBondContact SG-SG 2.81Å
571	N	75.9	Confident	73.3	Confident	78 Å²	78	45.6 Å²	45.6	42%	0.417	24%	0.238	S	C	.	.	S	Bend	trans	-101	9.7	-172.6	-55.4	-52.4	0	0	0	113.1	Q642 S657	N571-Q642 PolarHBondContact ND2-NE2 2.99Å; N571-S657 VanDerWaalsContact CG-OG 3.29Å; N571-S657 PolarHBondContact ND2-OG 2.8Å; N571-S657 VanDerWaalsContact ND2-OG 3.1Å; N571-S657 WeakPolarHBondContact OD1-CB 3.23Å; N571-S657 PolarHBondContact OD1-OG 3.36Å
572	D	63	Low	71	Confident	46 Å²	46	50.2 Å²	50.2	25%	0.246	26%	0.259	C	S	.	.			trans	-129.9	128	178.9	-166	-15.4	0	0	0	108.2	R481 V574 R583	R481-D572 IonicContact CZ-OD2 3.33Å; R481-D572 VanDerWaalsContact CZ-OD2 3.31Å; R481-D572 IonicContact NH1-OD2 3.86Å; R481-D572 PolarHBondContact NH1-OD2 3.32Å; R481-D572 IonicContact NH2-OD2 3.91Å; R481-D572 PolarHBondContact NH2-OD2 2.95Å; D572-V574 PolarHBondContact O-N 3.27Å; D572-V574 PolarHBondContact OD1-N 2.88Å; D572-R583 IonicContact OD1-NH1 2.99Å; D572-R583 IonicContact OD2-CZ 3.98Å; D572-R583 IonicContact OD2-NH1 3.58Å; D572-R583 PolarHBondContact OD2-NH1 2.84Å
573	V	55.6	Low	69.1	Low	74 Å²	74	55.8 Å²	55.8	45%	0.448	28%	0.28	S	S	.	.	S	Bend	trans	-80.8	-0.7	-175.3	-69	0	0	0	0	113	L699 H703	V573-L699 HydrophobicContact CB-CD2 4.26Å; V573-L699 VanDerWaalsContact O-CD2 3.28Å; V573-L699 WeakPolarHBondContact O-CD2 3.41Å; V573-H703 PolarHBondContact O-CE1 3.32Å; V573-H703 PolarHBondContact O-NE2 3.04Å
574	V	52.5	Low	67	Low	49 Å²	49	59.5 Å²	59.5	30%	0.297	31%	0.307	S	S	.	.	S	Bend	trans	-107.9	137.1	-179.6	-171.5	0	0	0	0	111.7	R481 D572	R481-V574 PolarHBondContact NH2-O 2.97Å; D572-V574 PolarHBondContact O-N 3.27Å; D572-V574 PolarHBondContact OD1-N 2.88Å
575	A	50.5	Low	65	Low	5 Å²	5	57.3 Å²	57.3	4%	0.041	30%	0.3	C	S	.	.			trans	-65.4	151.4	174.4	0	0	0	0	0	112.9	G577 T664 H690 L693 E694	A575-G577 PolarHBondContact O-N 3.33Å; A575-T664 HydrophobicContact CB-CG2 4Å; A575-H690 WeakPolarHBondContact CB-O 3.44Å; A575-L693 HydrophobicContact CB-CB 4.3Å; A575-E694 HydrophobicContact CB-CG 3.33Å; A575-E694 WeakPolarHBondContact CB-OE1 3.19Å; A575-E694 PolarHBondContact N-OE1 2.91Å
576	P	51.8	Low	63.3	Low	3 Å²	3	57.6 Å²	57.6	2%	0.019	30%	0.301	C	S	.	.			trans	-63.8	120.9	169.6	24.7	-29.6	0	0	0	110.8	P443 E482 W485 F569 L693	P443-P576 HydrophobicContact CB-CG 4.35Å; P443-P576 HydrophobicContact CG-CB 4.49Å; P443-P576 HydrophobicContact CG-CG 4.16Å; E482-P576 HydrophobicContact CG-CB 4.41Å; W485-P576 HydrophobicContact CB-CG 4.24Å; W485-P576 HydrophobicContact CG-CG 4.04Å; F569-P576 HydrophobicContact CD1-CG 4.35Å; F569-P576 HydrophobicContact CE1-CB 4.02Å; F569-P576 HydrophobicContact CE1-CG 3.97Å; P576-L693 HydrophobicContact CG-CD1 4.25Å
577	G	54.6	Low	61.5	Low	15 Å²	15	61.3 Å²	61.3	16%	0.155	32%	0.319	C	S	.	.			trans	-138.1	-175.1	173.4	0	0	0	0	0	110.4	E482 A575 S579	E482-G577 VanDerWaalsContact CD-O 3.27Å; E482-G577 WeakPolarHBondContact CG-O 3.39Å; A575-G577 PolarHBondContact O-N 3.33Å; G577-S579 PolarHBondContact O-N 3.08Å
578	D	53.3	Low	59.5	Low	95 Å²	95	67.1 Å²	67.1	51%	0.508	35%	0.346	S	S	.	.			trans	-62.5	97.7	-179.2	-176.2	1.2	0	0	0	111.9	T580	D578-T580 WeakPolarHBondContact OD1-CB 3.46Å; D578-T580 WeakPolarHBondContact OD1-CG2 3.37Å; D578-T580 PolarHBondContact OD1-N 3.26Å; D578-T580 PolarHBondContact OD1-OG1 3.03Å
579	S	51.9	Low	57.6	Low	33 Å²	33	66.6 Å²	66.6	23%	0.231	35%	0.347	C	S	.	.			trans	-92.2	8.4	-175.6	66.5	0	0	0	0	114.2	E482 G577 R581 Q587	E482-S579 VanDerWaalsContact CD-OG 3.29Å; E482-S579 WeakPolarHBondContact OE1-CB 3.19Å; E482-S579 PolarHBondContact OE1-OG 3.04Å; E482-S579 PolarHBondContact OE2-OG 3.34Å; G577-S579 PolarHBondContact O-N 3.08Å; S579-R581 PolarHBondContact O-N 2.95Å; S579-Q587 PolarHBondContact O-NE2 3.49Å; S579-Q587 VanDerWaalsContact O-NE2 3.07Å
580	T	52.9	Low	55.8	Low	99 Å²	99	70.2 Å²	70.2	61%	0.607	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-3.6	179	59.1	0	0	0	0	113.8	D578	D578-T580 WeakPolarHBondContact OD1-CB 3.46Å; D578-T580 WeakPolarHBondContact OD1-CG2 3.37Å; D578-T580 PolarHBondContact OD1-N 3.26Å; D578-T580 PolarHBondContact OD1-OG1 3.03Å
581	R	47	Very low	54.8	Low	208 Å²	208	74.6 Å²	74.6	79%	0.785	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-24.4	-175.6	-62.7	179.9	76.6	175.2	0.6	117.1	S579	S579-R581 PolarHBondContact O-N 2.95Å
582	D	41.4	Very low	55.1	Low	144 Å²	144	71.7 Å²	71.7	77%	0.77	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.7	20.8	-161.8	-75.3	-50.8	0	0	0	121.9
583	R	53	Low	56.4	Low	117 Å²	117	74 Å²	74	44%	0.442	39%	0.386	S	S	.	.			trans	-148	150.6	177.3	-66.3	-169.8	-172.8	-167.2	4.9	116.6	D572 Q587	D572-R583 IonicContact OD1-NH1 2.99Å; D572-R583 IonicContact OD2-CZ 3.98Å; D572-R583 IonicContact OD2-NH1 3.58Å; D572-R583 PolarHBondContact OD2-NH1 2.84Å; R583-Q587 VanDerWaalsContact N-NE2 3.19Å; R583-Q587 WeakPolarHBondContact O-CB 3.41Å; R583-Q587 WeakPolarHBondContact O-CG 3.31Å; R583-Q587 PolarHBondContact O-NE2 2.76Å; R583-Q587 PolarHBondContact O-OE1 3.46Å
584	T	48.3	Very low	58	Low	125 Å²	125	75.1 Å²	75.1	77%	0.767	40%	0.395	S	S	*	.	S	Bend	trans	-91	-21.6	-173.8	54.7	0	0	0	0	116.9
585	L	52.7	Low	59.9	Low	63 Å²	63	74 Å²	74	33%	0.33	39%	0.393	S	S	.	.	S	Bend	trans	-95.7	131.5	176	-170.8	71.4	0	0	0	108.7	Q587	L585-Q587 VanDerWaalsContact C-N 3.25Å; L585-Q587 PolarHBondContact O-N 2.86Å
586	D	58.1	Low	61.8	Low	8 Å²	8	73.7 Å²	73.7	4%	0.043	39%	0.391	C	S	.	.	S	Bend	trans	65.2	13.5	-170.1	-85.2	-16.6	0	0	0	115.6	R481 R484 A502 L503 Y568	R481-D586 HydrophobicContact CB-CB 4.47Å; R484-D586 IonicContact CZ-OD1 2.85Å; R484-D586 IonicContact CZ-OD2 3.17Å; R484-D586 IonicContact NE-OD1 2.75Å; R484-D586 IonicContact NE-OD2 2.79Å; R484-D586 PolarHBondContact NE-OD2 3.03Å; R484-D586 VanDerWaalsContact NE-OD2 3.17Å; R484-D586 IonicContact NH2-OD1 2.76Å; R484-D586 PolarHBondContact NH2-OD1 3.39Å; R484-D586 IonicContact NH2-OD2 3.19Å; A502-D586 WeakPolarHBondContact CB-OD1 3.48Å; L503-D586 PolarHBondContact O-N 3.43Å; L503-D586 VanDerWaalsContact O-N 3.14Å; Y568-D586 WeakPolarHBondContact CE1-OD2 3.36Å; Y568-D586 VanDerWaalsContact CZ-OD2 3.3Å; Y568-D586 PolarHBondContact OH-OD2 3.44Å
587	Q	56.5	Low	63.8	Low	78 Å²	78	73.7 Å²	73.7	36%	0.364	39%	0.391	S	S	.	.	S	Bend	trans	-86.3	111.9	162.7	-95.2	-171.6	8.2	0	0	110.1	S579 R583 L585	S579-Q587 PolarHBondContact O-NE2 3.49Å; S579-Q587 VanDerWaalsContact O-NE2 3.07Å; R583-Q587 VanDerWaalsContact N-NE2 3.19Å; R583-Q587 WeakPolarHBondContact O-CB 3.41Å; R583-Q587 WeakPolarHBondContact O-CG 3.31Å; R583-Q587 PolarHBondContact O-NE2 2.76Å; R583-Q587 PolarHBondContact O-OE1 3.46Å; L585-Q587 VanDerWaalsContact C-N 3.25Å; L585-Q587 PolarHBondContact O-N 2.86Å
588	Q	54	Low	65.7	Low	127 Å²	127	78.2 Å²	78.2	59%	0.593	41%	0.409	S	S	*	.			trans	37.2	97.5	170.5	-61.4	-177.1	8.6	0	0	114.1	T590 V591	Q588-T590 PolarHBondContact O-N 3.35Å; Q588-V591 PolarHBondContact O-N 3.39Å
589	C	53.3	Low	67.8	Low	22 Å²	22	76.8 Å²	76.8	15%	0.149	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-52.7	0.9	174.9	-53.6	0	0	0	0	115.7	V591 S592	C589-V591 VanDerWaalsContact C-N 3.35Å; C589-S592 PolarHBondContact O-OG 3.02Å
590	T	56.1	Low	69.9	Low	77 Å²	77	75.2 Å²	75.2	47%	0.472	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-70	-24.6	170	-25.8	0	0	0	0	113.1	R400 Q588	R400-T590 PolarHBondContact NH1-O 2.79Å; R400-T590 VanDerWaalsContact NH2-CG2 3.32Å; Q588-T590 PolarHBondContact O-N 3.35Å
591	V	68.3	Low	72	Confident	100 Å²	100	70.5 Å²	70.5	61%	0.606	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-118	47.5	-176.2	-159.9	0	0	0	0	110.9	F505 Q588 C589	F505-V591 WeakPolarHBondContact CD2-O 3.46Å; Q588-V591 PolarHBondContact O-N 3.39Å; C589-V591 VanDerWaalsContact C-N 3.35Å
592	S	83.1	Confident	74.4	Confident	17 Å²	17	62.2 Å²	62.2	12%	0.119	34%	0.337	C	S	.	.	S	Bend	trans	-113	148.5	172.5	65	0	0	0	0	111	G504 C589	G504-S592 VanDerWaalsContact O-CB 3.26Å; G504-S592 WeakPolarHBondContact O-CB 3.34Å; C589-S592 PolarHBondContact O-OG 3.02Å
593	R	89.3	Confident	77.1	Confident	94 Å²	94	57.5 Å²	57.5	36%	0.355	31%	0.312	S	S	.	.			trans	-55.9	128	170.9	-71.6	179	69.9	-169.7	-1.5	110	F505 G595 L596 L647	F505-R593 HydrophobicContact CZ-CG 4.41Å; F505-R593 WeakPolarHBondContact O-CG 3.36Å; F505-R593 PolarHBondContact O-N 2.85Å; R593-G595 PolarHBondContact O-N 2.79Å; R593-L596 HydrophobicContact CB-CD1 4.1Å; R593-L596 HydrophobicContact CB-CG 4.27Å; R593-L596 WeakPolarHBondContact O-CB 3.23Å; R593-L596 PolarHBondContact O-N 3.19Å; R593-L647 HydrophobicContact CB-CD2 4.14Å; R593-L647 PolarHBondContact NH1-O 3.41Å
594	P	90	Very high	79.2	Confident	98 Å²	98	51.9 Å²	51.9	64%	0.636	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.5	-168.9	-30.3	35.3	0	0	0	116	L596	P594-L596 VanDerWaalsContact C-N 3.3Å; P594-L596 PolarHBondContact O-N 3.24Å
595	G	91.1	Very high	81.6	Confident	25 Å²	25	46 Å²	46	26%	0.258	25%	0.254	S	S	.	.	H	α-helix	trans	-67.5	-24.5	179.5	0	0	0	0	0	114.8	R593 A597 M598 I599	R593-G595 PolarHBondContact O-N 2.79Å; G595-A597 PolarHBondContact O-N 2.89Å; G595-M598 PolarHBondContact O-N 2.67Å; G595-I599 WeakPolarHBondContact O-CG1 3.32Å; G595-I599 PolarHBondContact O-N 3.14Å
596	L	91.4	Very high	83.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-42.9	-172.2	-71.4	170.5	0	0	0	112.7	L503 F505 F508 R593 P594 M598 I599 A600 L647	L503-L596 HydrophobicContact CD2-CB 4.12Å; F505-L596 WeakPolarHBondContact O-CD1 3.32Å; F508-L596 HydrophobicContact CD1-CD2 3.82Å; R593-L596 HydrophobicContact CB-CD1 4.1Å; R593-L596 HydrophobicContact CB-CG 4.27Å; R593-L596 WeakPolarHBondContact O-CB 3.23Å; R593-L596 PolarHBondContact O-N 3.19Å; P594-L596 VanDerWaalsContact C-N 3.3Å; P594-L596 PolarHBondContact O-N 3.24Å; L596-M598 VanDerWaalsContact C-N 3.3Å; L596-M598 PolarHBondContact O-N 3.15Å; L596-I599 PolarHBondContact O-N 3.4Å; L596-A600 VanDerWaalsContact O-CB 3.27Å; L596-A600 WeakPolarHBondContact O-CB 3.4Å; L596-A600 PolarHBondContact O-N 3.32Å; L596-L647 HydrophobicContact CD2-CB 3.85Å; L596-L647 HydrophobicContact CD2-CD2 4.04Å; L596-L647 HydrophobicContact CG-CD2 4.12Å
597	A	92.5	Very high	85.6	Confident	2 Å²	2	46.3 Å²	46.3	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-32.3	-177.2	0	0	0	0	0	112.8	T368 L369 L503 G595 G601	T368-A597 HydrophobicContact CG2-CB 3.23Å; L369-A597 HydrophobicContact CD2-CB 4.41Å; L503-A597 HydrophobicContact CD1-CB 3.82Å; G595-A597 PolarHBondContact O-N 2.89Å; A597-G601 WeakPolarHBondContact O-CA 3.33Å; A597-G601 PolarHBondContact O-N 3.24Å
598	M	95.2	Very high	87.6	Confident	110 Å²	110	42.6 Å²	42.6	54%	0.542	24%	0.237	S	C	.	.	H	α-helix	trans	-68.3	-46.5	174.2	-69.1	-176.6	-73.7	0	0	110.8	N372 G595 L596 A602	N372-M598 WeakPolarHBondContact OD1-CG 3.21Å; G595-M598 PolarHBondContact O-N 2.67Å; L596-M598 VanDerWaalsContact C-N 3.3Å; L596-M598 PolarHBondContact O-N 3.15Å; M598-A602 WeakPolarHBondContact O-CB 3.36Å; M598-A602 PolarHBondContact O-N 3.4Å
599	I	96.8	Very high	89.6	Confident	65 Å²	65	36.5 Å²	36.5	33%	0.333	21%	0.208	S	C	.	.	H	α-helix	trans	-63.5	-52.7	178.8	-63.2	165.9	0	0	0	110.4	F508 G595 L596 G601 A602 L603 L647	F508-I599 HydrophobicContact CD1-CG2 4.46Å; F508-I599 HydrophobicContact CE1-CB 4.36Å; F508-I599 HydrophobicContact CE1-CG2 3.57Å; F508-I599 HydrophobicContact CZ-CG2 3.72Å; G595-I599 WeakPolarHBondContact O-CG1 3.32Å; G595-I599 PolarHBondContact O-N 3.14Å; L596-I599 PolarHBondContact O-N 3.4Å; I599-G601 PolarHBondContact O-N 2.9Å; I599-A602 PolarHBondContact O-N 3.02Å; I599-L603 HydrophobicContact CG2-CD1 3.75Å; I599-L603 HydrophobicContact CG2-CG 4.44Å; I599-L603 WeakPolarHBondContact O-CB 3.45Å; I599-L603 VanDerWaalsContact O-CG 3.29Å; I599-L603 WeakPolarHBondContact O-CG 3.3Å; I599-L603 PolarHBondContact O-N 2.86Å; I599-L647 HydrophobicContact CD1-CD1 4.22Å
600	A	96	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-41.1	-179.7	0	0	0	0	0	112	L369 L503 F508 V510 L596 L603 A604	L369-A600 HydrophobicContact CD2-CB 4Å; L503-A600 HydrophobicContact CD2-CB 3.84Å; F508-A600 HydrophobicContact CB-CB 3.97Å; F508-A600 HydrophobicContact CD2-CB 3.92Å; F508-A600 HydrophobicContact CG-CB 3.91Å; V510-A600 HydrophobicContact CG2-CB 3.99Å; V510-A600 WeakPolarHBondContact CG2-O 3.31Å; L596-A600 VanDerWaalsContact O-CB 3.27Å; L596-A600 WeakPolarHBondContact O-CB 3.4Å; L596-A600 PolarHBondContact O-N 3.32Å; A600-L603 PolarHBondContact O-N 2.9Å; A600-A604 VanDerWaalsContact O-CB 3.32Å; A600-A604 WeakPolarHBondContact O-CB 3.28Å; A600-A604 PolarHBondContact O-N 3.37Å
601	G	97.1	Very high	93.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-43.1	176.7	0	0	0	0	0	112.6	A597 I599 A604 V605	A597-G601 WeakPolarHBondContact O-CA 3.33Å; A597-G601 PolarHBondContact O-N 3.24Å; I599-G601 PolarHBondContact O-N 2.9Å; G601-A604 PolarHBondContact O-N 3.25Å; G601-V605 PolarHBondContact O-N 3.38Å
602	A	97.9	Very high	94.8	Very high	35 Å²	35	29.2 Å²	29.2	29%	0.289	16%	0.162	S	C	.	.	H	α-helix	trans	-62.7	-51.1	174.4	0	0	0	0	0	111.3	M598 I599 A604 V605 E606	M598-A602 WeakPolarHBondContact O-CB 3.36Å; M598-A602 PolarHBondContact O-N 3.4Å; I599-A602 PolarHBondContact O-N 3.02Å; A602-A604 VanDerWaalsContact C-N 3.27Å; A602-A604 PolarHBondContact O-N 3.06Å; A602-V605 PolarHBondContact O-N 3.15Å; A602-V605 VanDerWaalsContact O-N 3.09Å; A602-E606 WeakPolarHBondContact O-CG 3.47Å; A602-E606 PolarHBondContact O-N 3.34Å
603	L	98.1	Very high	95.3	Very high	44 Å²	44	29.4 Å²	29.4	23%	0.23	16%	0.161	C	C	.	.	H	α-helix	trans	-60.5	-34.3	179.6	-70.7	170.6	0	0	0	112.9	F508 V510 I599 A600 L607 I643	F508-L603 HydrophobicContact CE1-CD1 4.49Å; F508-L603 HydrophobicContact CE2-CD1 3.5Å; F508-L603 HydrophobicContact CZ-CD1 3.37Å; V510-L603 HydrophobicContact CG2-CB 4.25Å; I599-L603 HydrophobicContact CG2-CD1 3.75Å; I599-L603 HydrophobicContact CG2-CG 4.44Å; I599-L603 WeakPolarHBondContact O-CB 3.45Å; I599-L603 VanDerWaalsContact O-CG 3.29Å; I599-L603 WeakPolarHBondContact O-CG 3.3Å; I599-L603 PolarHBondContact O-N 2.86Å; A600-L603 PolarHBondContact O-N 2.9Å; L603-L607 WeakPolarHBondContact O-CB 3.33Å; L603-L607 PolarHBondContact O-N 3.3Å; L603-I643 HydrophobicContact CB-CD1 4.35Å; L603-I643 HydrophobicContact CD1-CG2 4.11Å; L603-I643 HydrophobicContact CD2-CD1 4.44Å
604	A	98.3	Very high	95.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-42	175.2	0	0	0	0	0	112.1	V373 F475 V499 A501 V510 A600 G601 A602 M608	V373-A604 HydrophobicContact CG2-CB 4.44Å; F475-A604 HydrophobicContact CD1-CB 4.42Å; F475-A604 HydrophobicContact CE1-CB 4.11Å; V499-A604 HydrophobicContact CG1-CB 3.87Å; A501-A604 HydrophobicContact CB-CB 4.46Å; V510-A604 HydrophobicContact CG1-CB 3.91Å; V510-A604 HydrophobicContact CG2-CB 4.44Å; A600-A604 VanDerWaalsContact O-CB 3.32Å; A600-A604 WeakPolarHBondContact O-CB 3.28Å; A600-A604 PolarHBondContact O-N 3.37Å; G601-A604 PolarHBondContact O-N 3.25Å; A602-A604 VanDerWaalsContact C-N 3.27Å; A602-A604 PolarHBondContact O-N 3.06Å; A604-M608 PolarHBondContact O-N 2.71Å; A604-M608 VanDerWaalsContact O-N 3.1Å
605	V	98.6	Very high	95.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-72.2	-44.4	177.1	177.1	0	0	0	0	111.2	V373 T376 L377 G601 A602 L607 M608 V609	V373-V605 HydrophobicContact CB-CG2 4.32Å; V373-V605 HydrophobicContact CG1-CG2 3.8Å; T376-V605 HydrophobicContact CG2-CB 3.72Å; T376-V605 HydrophobicContact CG2-CG1 3.75Å; T376-V605 HydrophobicContact CG2-CG2 4.13Å; L377-V605 HydrophobicContact CD2-CB 4.47Å; L377-V605 HydrophobicContact CD2-CG1 3.8Å; L377-V605 HydrophobicContact CD2-CG2 3.92Å; L377-V605 HydrophobicContact CG-CG1 4.31Å; L377-V605 HydrophobicContact CG-CG2 3.83Å; G601-V605 PolarHBondContact O-N 3.38Å; A602-V605 PolarHBondContact O-N 3.15Å; A602-V605 VanDerWaalsContact O-N 3.09Å; V605-L607 VanDerWaalsContact C-N 3.28Å; V605-L607 PolarHBondContact O-N 2.86Å; V605-M608 HydrophobicContact CG1-CE 4.48Å; V605-M608 WeakPolarHBondContact O-CB 3.15Å; V605-M608 PolarHBondContact O-N 2.84Å; V605-M608 VanDerWaalsContact O-N 3.09Å; V605-V609 HydrophobicContact CG1-CG2 4.31Å; V605-V609 WeakPolarHBondContact O-CG2 3.48Å; V605-V609 PolarHBondContact O-N 3.08Å
606	E	97.6	Very high	95.4	Very high	72 Å²	72	30.8 Å²	30.8	34%	0.336	17%	0.168	S	C	.	.	H	α-helix	trans	-59.5	-40.9	176	-66.4	-53.2	137	0	0	111.4	W380 A602 M608 V609 S610	W380-E606 PolarHBondContact NE1-OE1 2.84Å; A602-E606 WeakPolarHBondContact O-CG 3.47Å; A602-E606 PolarHBondContact O-N 3.34Å; E606-M608 PolarHBondContact O-N 3.25Å; E606-V609 PolarHBondContact O-N 3.28Å; E606-S610 WeakPolarHBondContact O-CB 3.4Å; E606-S610 PolarHBondContact O-N 3.45Å; E606-S610 PolarHBondContact O-OG 2.9Å
607	L	97.1	Very high	95.5	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-44.8	174.2	-179.2	59.2	0	0	0	111.4	V510 R512 L603 V605 S610 I611 V639 P640	V510-L607 HydrophobicContact CG1-CD2 4.06Å; R512-L607 HydrophobicContact CB-CD2 4.35Å; L603-L607 WeakPolarHBondContact O-CB 3.33Å; L603-L607 PolarHBondContact O-N 3.3Å; V605-L607 VanDerWaalsContact C-N 3.28Å; V605-L607 PolarHBondContact O-N 2.86Å; L607-S610 PolarHBondContact O-N 3.39Å; L607-I611 HydrophobicContact CD1-CD1 4.24Å; L607-I611 HydrophobicContact CD1-CG1 4.38Å; L607-I611 HydrophobicContact CG-CD1 3.97Å; L607-I611 WeakPolarHBondContact O-CD1 3.21Å; L607-I611 WeakPolarHBondContact O-CG1 3.29Å; L607-I611 PolarHBondContact O-N 3.1Å; L607-V639 HydrophobicContact CD1-CG1 4.41Å; L607-P640 HydrophobicContact CD1-CG 3.96Å
608	M	97.6	Very high	95.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.7	-49.8	174.6	179.5	-157.3	74.5	0	0	111.4	L377 V382 V473 F475 V499 A604 V605 E606 S610 I611 L612	L377-M608 HydrophobicContact CD2-CE 3.54Å; L377-M608 HydrophobicContact CD2-SD 3.85Å; V382-M608 HydrophobicContact CG2-CE 4.45Å; V473-M608 HydrophobicContact CB-SD 4.34Å; V473-M608 HydrophobicContact CG1-CG 4.03Å; V473-M608 HydrophobicContact CG1-SD 4.21Å; V473-M608 HydrophobicContact CG2-CG 4.13Å; V473-M608 HydrophobicContact CG2-SD 4.23Å; F475-M608 HydrophobicContact CE2-SD 3.72Å; F475-M608 HydrophobicContact CZ-CB 3.89Å; F475-M608 HydrophobicContact CZ-CG 4.11Å; F475-M608 HydrophobicContact CZ-SD 3.61Å; V499-M608 HydrophobicContact CG2-CB 4.38Å; A604-M608 PolarHBondContact O-N 2.71Å; A604-M608 VanDerWaalsContact O-N 3.1Å; V605-M608 HydrophobicContact CG1-CE 4.48Å; V605-M608 WeakPolarHBondContact O-CB 3.15Å; V605-M608 PolarHBondContact O-N 2.84Å; V605-M608 VanDerWaalsContact O-N 3.09Å; E606-M608 PolarHBondContact O-N 3.25Å; M608-S610 PolarHBondContact O-N 3.27Å; M608-I611 WeakPolarHBondContact O-CB 3.28Å; M608-I611 PolarHBondContact O-N 3.18Å; M608-L612 HydrophobicContact CE-CD1 4.12Å; M608-L612 HydrophobicContact CG-CD1 4.16Å; M608-L612 HydrophobicContact CG-CG 4.49Å; M608-L612 WeakPolarHBondContact O-CG 3.49Å; M608-L612 PolarHBondContact O-N 3.16Å; M608-L612 HydrophobicContact SD-CD1 4.44Å
609	V	96.9	Very high	95.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62	-45.6	-177.9	-179.7	0	0	0	0	110	V356 W380 V605 E606 I611 L612 Q613 L636	V356-V609 HydrophobicContact CG1-CG2 4.22Å; V356-V609 HydrophobicContact CG2-CG1 3.98Å; W380-V609 HydrophobicContact CD2-CG1 4.3Å; W380-V609 HydrophobicContact CD2-CG2 3.97Å; W380-V609 HydrophobicContact CE3-CG1 4.23Å; W380-V609 HydrophobicContact CG-CG2 3.94Å; W380-V609 HydrophobicContact CH2-CG1 4.13Å; W380-V609 HydrophobicContact CZ2-CG1 4.2Å; W380-V609 HydrophobicContact CZ3-CG1 4.15Å; V605-V609 HydrophobicContact CG1-CG2 4.31Å; V605-V609 WeakPolarHBondContact O-CG2 3.48Å; V605-V609 PolarHBondContact O-N 3.08Å; E606-V609 PolarHBondContact O-N 3.28Å; V609-I611 VanDerWaalsContact C-N 3.31Å; V609-I611 PolarHBondContact O-N 3.25Å; V609-L612 PolarHBondContact O-N 2.89Å; V609-L612 VanDerWaalsContact O-N 3.1Å; V609-Q613 HydrophobicContact CG1-CG 4.33Å; V609-Q613 WeakPolarHBondContact O-CG 3.32Å; V609-Q613 PolarHBondContact O-N 2.85Å; V609-L636 HydrophobicContact CB-CD1 4.41Å; V609-L636 HydrophobicContact CG1-CD1 3.47Å; V609-L636 VanDerWaalsContact CG1-CD1 3.47Å
610	S	95.1	Very high	95.2	Very high	10 Å²	10	27.6 Å²	27.6	7%	0.07	16%	0.155	C	C	.	.	H	α-helix	trans	-59.8	-38.7	175.7	-65.9	0	0	0	0	112.8	E606 L607 M608 Q613 H614	E606-S610 WeakPolarHBondContact O-CB 3.4Å; E606-S610 PolarHBondContact O-N 3.45Å; E606-S610 PolarHBondContact O-OG 2.9Å; L607-S610 PolarHBondContact O-N 3.39Å; M608-S610 PolarHBondContact O-N 3.27Å; S610-Q613 PolarHBondContact O-N 2.98Å; S610-H614 PolarHBondContact O-N 3.46Å
611	I	95	Very high	94.9	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-47.6	173.1	-66.3	159.9	0	0	0	110.4	L497 R512 L607 M608 V609 Q613 H614 G617 V639	L497-I611 HydrophobicContact CD1-CD1 4.3Å; L497-I611 HydrophobicContact CD1-CG2 4.22Å; L497-I611 HydrophobicContact CD2-CB 4.34Å; L497-I611 HydrophobicContact CD2-CD1 4.32Å; L497-I611 HydrophobicContact CD2-CG2 3.62Å; R512-I611 HydrophobicContact CB-CD1 3.96Å; R512-I611 HydrophobicContact CG-CD1 4.4Å; L607-I611 HydrophobicContact CD1-CD1 4.24Å; L607-I611 HydrophobicContact CD1-CG1 4.38Å; L607-I611 HydrophobicContact CG-CD1 3.97Å; L607-I611 WeakPolarHBondContact O-CD1 3.21Å; L607-I611 WeakPolarHBondContact O-CG1 3.29Å; L607-I611 PolarHBondContact O-N 3.1Å; M608-I611 WeakPolarHBondContact O-CB 3.28Å; M608-I611 PolarHBondContact O-N 3.18Å; V609-I611 VanDerWaalsContact C-N 3.31Å; V609-I611 PolarHBondContact O-N 3.25Å; I611-Q613 VanDerWaalsContact C-N 3.28Å; I611-Q613 PolarHBondContact O-N 2.99Å; I611-H614 WeakPolarHBondContact O-CB 3.49Å; I611-H614 PolarHBondContact O-N 2.71Å; I611-G617 VanDerWaalsContact CG2-C 3.47Å; I611-G617 WeakPolarHBondContact O-CA 3.44Å; I611-V639 HydrophobicContact CB-CG1 4.38Å; I611-V639 HydrophobicContact CG1-CG1 3.43Å; I611-V639 VanDerWaalsContact CG1-CG1 3.43Å
612	L	95.4	Very high	94.5	Very high	35 Å²	35	30.4 Å²	30.4	18%	0.183	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-29.9	-178.5	-66.4	174.2	0	0	0	113.3	T359 M608 V609	T359-L612 HydrophobicContact CG2-CD1 4.23Å; T359-L612 WeakPolarHBondContact OG1-CD1 3.38Å; M608-L612 HydrophobicContact CE-CD1 4.12Å; M608-L612 HydrophobicContact CG-CD1 4.16Å; M608-L612 HydrophobicContact CG-CG 4.49Å; M608-L612 WeakPolarHBondContact O-CG 3.49Å; M608-L612 PolarHBondContact O-N 3.16Å; M608-L612 HydrophobicContact SD-CD1 4.44Å; V609-L612 PolarHBondContact O-N 2.89Å; V609-L612 VanDerWaalsContact O-N 3.1Å
613	Q	93.7	Very high	93.6	Very high	21 Å²	21	29.4 Å²	29.4	10%	0.098	16%	0.163	C	C	.	.	H	α-helix	trans	-80.7	-23.6	176.5	-63.2	-50.5	-49.8	0	0	113.1	L351 D352 V609 S610 I611 L636	L351-Q613 HydrophobicContact CD1-CG 3.91Å; D352-Q613 PolarHBondContact O-NE2 3.24Å; V609-Q613 HydrophobicContact CG1-CG 4.33Å; V609-Q613 WeakPolarHBondContact O-CG 3.32Å; V609-Q613 PolarHBondContact O-N 2.85Å; S610-Q613 PolarHBondContact O-N 2.98Å; I611-Q613 VanDerWaalsContact C-N 3.28Å; I611-Q613 PolarHBondContact O-N 2.99Å; Q613-L636 HydrophobicContact CG-CD1 3.79Å; Q613-L636 HydrophobicContact CG-CG 4.4Å
614	H	92.2	Very high	92.3	Very high	27 Å²	27	29.7 Å²	29.7	13%	0.125	17%	0.169	C	C	.	.	S	Bend	trans	-66.6	139.9	176.3	-164.5	-68.4	0	0	0	111	S610 I611 E616 G617 A620 T634 V639	S610-H614 PolarHBondContact O-N 3.46Å; I611-H614 WeakPolarHBondContact O-CB 3.49Å; I611-H614 PolarHBondContact O-N 2.71Å; H614-E616 VanDerWaalsContact C-N 3.33Å; H614-E616 PolarHBondContact ND1-N 3.37Å; H614-E616 PolarHBondContact O-N 2.95Å; H614-G617 PolarHBondContact O-N 3.41Å; H614-A620 HydrophobicContact CB-CB 4.35Å; H614-T634 HydrophobicContact CB-CG2 3.57Å; H614-T634 WeakPolarHBondContact CD2-CG2 3.44Å; H614-V639 HydrophobicContact CB-CG2 4.13Å
615	S	90.4	Very high	90.5	Very high	106 Å²	106	31.1 Å²	31.1	74%	0.741	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-45.7	178.9	55	0	0	0	0	112.8	G617	S615-G617 VanDerWaalsContact C-N 3.31Å; S615-G617 PolarHBondContact O-N 3.34Å
616	E	91	Very high	88.5	Confident	113 Å²	113	38.2 Å²	38.2	53%	0.528	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.1	176.5	-59	-58	124	0	0	115.4	H614 G618 Y619 A620	H614-E616 VanDerWaalsContact C-N 3.33Å; H614-E616 PolarHBondContact ND1-N 3.37Å; H614-E616 PolarHBondContact O-N 2.95Å; E616-G618 PolarHBondContact O-N 3.46Å; E616-Y619 WeakPolarHBondContact O-CB 3.46Å; E616-Y619 PolarHBondContact O-N 3.04Å; E616-A620 HydrophobicContact CB-CB 4.49Å
617	G	92.6	Very high	86.3	Confident	20 Å²	20	40.5 Å²	40.5	21%	0.206	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	52.7	-131.1	179.8	0	0	0	0	0	113.2	I611 H614 S615 Y619 A620	I611-G617 VanDerWaalsContact CG2-C 3.47Å; I611-G617 WeakPolarHBondContact O-CA 3.44Å; H614-G617 PolarHBondContact O-N 3.41Å; S615-G617 VanDerWaalsContact C-N 3.31Å; S615-G617 PolarHBondContact O-N 3.34Å; G617-Y619 PolarHBondContact O-N 2.83Å; G617-Y619 VanDerWaalsContact O-N 3.12Å; G617-A620 VanDerWaalsContact O-CB 3.23Å; G617-A620 WeakPolarHBondContact O-CB 3.44Å; G617-A620 PolarHBondContact O-N 3.4Å; G617-A620 VanDerWaalsContact O-N 3.07Å
618	G	92	Very high	84.5	Confident	9 Å²	9	44 Å²	44	9%	0.093	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-63.2	-14	176.9	0	0	0	0	0	115.3	R512 E616 A620	R512-G618 PolarHBondContact NH1-O 3.05Å; E616-G618 PolarHBondContact O-N 3.46Å; G618-A620 VanDerWaalsContact C-N 3.35Å
619	Y	94	Very high	82.3	Confident	80 Å²	80	52.6 Å²	52.6	31%	0.314	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-87.7	-3.1	175.5	-60.3	-72.2	0	0	0	113.7	L515 K517 G562 H563 E616 G617 V621	L515-Y619 HydrophobicContact CB-CD1 4.15Å; L515-Y619 HydrophobicContact CB-CE1 3.97Å; L515-Y619 HydrophobicContact CD2-CD1 4.18Å; L515-Y619 HydrophobicContact CD2-CD2 3.93Å; L515-Y619 HydrophobicContact CD2-CE1 3.83Å; L515-Y619 HydrophobicContact CD2-CE2 3.53Å; L515-Y619 HydrophobicContact CD2-CG 4.24Å; L515-Y619 VanDerWaalsContact CD2-CZ 3.48Å; L515-Y619 HydrophobicContact CG-CD1 4.36Å; L515-Y619 HydrophobicContact CG-CE1 3.79Å; L515-Y619 HydrophobicContact CG-CE2 4.35Å; L515-Y619 VanDerWaalsContact O-CE1 3.25Å; L515-Y619 WeakPolarHBondContact O-CE1 3.37Å; K517-Y619 HydrophobicContact CG-CE1 4.49Å; G562-Y619 WeakPolarHBondContact CA-O 3.43Å; G562-Y619 PolarHBondContact N-O 3.36Å; G562-Y619 VanDerWaalsContact N-O 3.13Å; H563-Y619 HydrophobicContact CB-CD1 4.07Å; H563-Y619 HydrophobicContact CB-CE1 4.31Å; E616-Y619 WeakPolarHBondContact O-CB 3.46Å; E616-Y619 PolarHBondContact O-N 3.04Å; G617-Y619 PolarHBondContact O-N 2.83Å; G617-Y619 VanDerWaalsContact O-N 3.12Å; Y619-V621 PolarHBondContact O-N 3.2Å
620	A	91.7	Very high	80.1	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.321	C	S	.	.			trans	-47.7	140.4	176	0	0	0	0	0	111.6	R512 G562 H614 E616 G617 G618 V639	R512-A620 PolarHBondContact NH1-O 2.96Å; R512-A620 PolarHBondContact NH2-O 2.8Å; G562-A620 VanDerWaalsContact CA-O 3.23Å; G562-A620 WeakPolarHBondContact CA-O 3.5Å; G562-A620 PolarHBondContact N-O 2.96Å; H614-A620 HydrophobicContact CB-CB 4.35Å; E616-A620 HydrophobicContact CB-CB 4.49Å; G617-A620 VanDerWaalsContact O-CB 3.23Å; G617-A620 WeakPolarHBondContact O-CB 3.44Å; G617-A620 PolarHBondContact O-N 3.4Å; G617-A620 VanDerWaalsContact O-N 3.07Å; G618-A620 VanDerWaalsContact C-N 3.35Å; A620-V639 HydrophobicContact CB-CB 4.28Å; A620-V639 HydrophobicContact CB-CG1 4.11Å
621	V	90.8	Very high	78.2	Confident	59 Å²	59	60.4 Å²	60.4	36%	0.358	33%	0.326	S	S	.	.			trans	-67	152	176.1	175.6	0	0	0	0	109.3	R512 N559 I560 Y619	R512-V621 PolarHBondContact NH2-O 2.83Å; N559-V621 HydrophobicContact CB-CG1 3.92Å; I560-V621 WeakPolarHBondContact O-CA 3.33Å; Y619-V621 PolarHBondContact O-N 3.2Å
622	A	88.7	Confident	76.3	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.5	166	0	0	0	0	0	109.8	I560 L565 H641 A656	I560-A622 PolarHBondContact N-O 2.81Å; I560-A622 PolarHBondContact O-N 2.91Å; L565-A622 HydrophobicContact CD1-CB 4.35Å; L565-A622 HydrophobicContact CD2-CB 4.01Å; A622-H641 HydrophobicContact CB-CB 3.69Å; A622-A656 HydrophobicContact CB-CB 4.26Å
623	S	79.2	Confident	74.5	Confident	14 Å²	14	68.7 Å²	68.7	10%	0.098	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	138.3	171.5	-161.3	0	0	0	0	113	S558 N559 S625 E631	S558-S623 CarbonylContact O-C 3.47Å; S558-S623 WeakPolarHBondContact O-CA 3.45Å; S558-S623 PolarHBondContact O-OG 2.89Å; S558-S623 VanDerWaalsContact O-OG 3.07Å; N559-S623 WeakPolarHBondContact OD1-CB 3.45Å; N559-S623 PolarHBondContact OD1-OG 3.4Å; S623-S625 PolarHBondContact OG-N 3.35Å; S623-S625 PolarHBondContact OG-OG 3.03Å; S623-E631 VanDerWaalsContact CB-OE1 3.26Å; S623-E631 WeakPolarHBondContact CB-OE1 3.4Å; S623-E631 PolarHBondContact N-OE1 3.47Å
624	S	69.8	Low	73.4	Confident	51 Å²	51	68.4 Å²	68.4	36%	0.357	38%	0.382	S	S	.	.			trans	-95.7	-7.6	168.1	60.6	0	0	0	0	113	F557 S558	F557-S624 PolarHBondContact O-OG 3.31Å; S558-S624 WeakPolarHBondContact CA-OG 3.3Å; S558-S624 PolarHBondContact O-N 3.39Å; S558-S624 PolarHBondContact O-OG 3Å
625	S	61.2	Low	72.6	Confident	30 Å²	30	68.8 Å²	68.8	21%	0.21	39%	0.388	C	S	.	.	S	Bend	trans	-87	166	-173.6	69	0	0	0	0	113.4	S623 D627 R628	S623-S625 PolarHBondContact OG-N 3.35Å; S623-S625 PolarHBondContact OG-OG 3.03Å; S625-D627 VanDerWaalsContact C-N 3.26Å; S625-R628 WeakPolarHBondContact O-CG 3.32Å; S625-R628 PolarHBondContact O-NE 3.49Å; S625-R628 VanDerWaalsContact O-NE 3.07Å
626	D	56.1	Low	72.5	Confident	148 Å²	148	66.3 Å²	66.3	79%	0.791	37%	0.365	S	S	*	.	S	Bend	trans	-76.8	-10.6	170.2	-79.5	-26.9	0	0	0	112.8	R628	D626-R628 PolarHBondContact O-N 3.42Å
627	D	52.6	Low	72.2	Confident	121 Å²	121	62.4 Å²	62.4	65%	0.647	36%	0.356	S	S	*	.			trans	-76.1	36.7	175.3	-82.6	-27.5	0	0	0	113	S625 M629 N630	S625-D627 VanDerWaalsContact C-N 3.26Å; D627-M629 PolarHBondContact O-N 3Å; D627-N630 PolarHBondContact O-N 2.96Å
628	R	58.2	Low	71.9	Confident	79 Å²	79	64.6 Å²	64.6	30%	0.298	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-65	-11	-176.1	-54.6	-177.8	-175.1	172.3	4.7	113.7	S625 D626 N630 L638	S625-R628 WeakPolarHBondContact O-CG 3.32Å; S625-R628 PolarHBondContact O-NE 3.49Å; S625-R628 VanDerWaalsContact O-NE 3.07Å; D626-R628 PolarHBondContact O-N 3.42Å; R628-N630 VanDerWaalsContact C-N 3.31Å; R628-L638 HydrophobicContact CB-CD1 4.28Å; R628-L638 HydrophobicContact CB-CD2 4.44Å
629	M	52.1	Low	71.9	Confident	180 Å²	180	64.3 Å²	64.3	89%	0.887	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-79.7	-9.5	-179.1	-67.8	-67.2	167	0	0	113.7	D627	D627-M629 PolarHBondContact O-N 3Å
630	N	51.1	Low	71.9	Confident	136 Å²	136	61.4 Å²	61.4	73%	0.727	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-103.5	-3.1	-177.2	-72.1	-28.1	0	0	0	114.5	D627 R628	D627-N630 PolarHBondContact O-N 2.96Å; R628-N630 VanDerWaalsContact C-N 3.31Å
631	E	55.6	Low	72	Confident	38 Å²	38	61.5 Å²	61.5	18%	0.178	35%	0.35	C	S	.	.	S	Bend	trans	-71.6	137.3	168.2	-75.9	-174.2	167.5	0	0	109.1	S623 P633	S623-E631 VanDerWaalsContact CB-OE1 3.26Å; S623-E631 WeakPolarHBondContact CB-OE1 3.4Å; S623-E631 PolarHBondContact N-OE1 3.47Å; E631-P633 WeakPolarHBondContact O-CD 3.26Å
632	P	54.7	Low	72.1	Confident	99 Å²	99	58.9 Å²	58.9	64%	0.643	33%	0.334	S	S	*	.			trans	-58.6	113.7	174.9	23.1	-31	0	0	0	108	T634	P632-T634 PolarHBondContact O-N 3.24Å
633	P	57.7	Low	72.4	Confident	112 Å²	112	59.5 Å²	59.5	73%	0.727	34%	0.337	S	S	*	.			trans	-64.7	129.8	-171.5	24.3	-32.1	0	0	0	108.6	E631	E631-P633 WeakPolarHBondContact O-CD 3.26Å
634	T	69.2	Low	73.1	Confident	15 Å²	15	62.7 Å²	62.7	9%	0.092	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-64.1	163	161.2	74.7	0	0	0	0	108.2	H614 P632 L636 G637 V639	H614-T634 HydrophobicContact CB-CG2 3.57Å; H614-T634 WeakPolarHBondContact CD2-CG2 3.44Å; P632-T634 PolarHBondContact O-N 3.24Å; T634-L636 PolarHBondContact O-N 2.55Å; T634-L636 PolarHBondContact OG1-N 3.17Å; T634-G637 WeakPolarHBondContact CB-O 3.25Å; T634-G637 PolarHBondContact N-O 2.81Å; T634-G637 PolarHBondContact O-N 2.66Å; T634-G637 PolarHBondContact OG1-N 3Å; T634-G637 PolarHBondContact OG1-O 2.85Å; T634-V639 HydrophobicContact CG2-CG2 3.69Å
635	S	76.5	Confident	74.1	Confident	35 Å²	35	60.2 Å²	60.2	25%	0.245	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-12.6	173.7	61.9	0	0	0	0	113.9	V348 S350	V348-S635 WeakPolarHBondContact CG1-O 3.47Å; S350-S635 WeakPolarHBondContact OG-CB 3.4Å
636	L	87.2	Confident	75.4	Confident	53 Å²	53	62 Å²	62	28%	0.277	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	11.5	179.9	-60.5	177.1	0	0	0	113.4	L351 W380 V609 Q613 T634	L351-L636 HydrophobicContact CD1-CD1 3.93Å; L351-L636 HydrophobicContact CD1-CD2 4.28Å; L351-L636 HydrophobicContact CD1-CG 4.27Å; W380-L636 HydrophobicContact CH2-CD1 4.23Å; V609-L636 HydrophobicContact CB-CD1 4.41Å; V609-L636 HydrophobicContact CG1-CD1 3.47Å; V609-L636 VanDerWaalsContact CG1-CD1 3.47Å; Q613-L636 HydrophobicContact CG-CD1 3.79Å; Q613-L636 HydrophobicContact CG-CG 4.4Å; T634-L636 PolarHBondContact O-N 2.55Å; T634-L636 PolarHBondContact OG1-N 3.17Å
637	G	85.3	Confident	76.9	Confident	31 Å²	31	56.2 Å²	56.2	32%	0.32	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	99.2	-139.8	177.9	0	0	0	0	0	114.7	T634	T634-G637 WeakPolarHBondContact CB-O 3.25Å; T634-G637 PolarHBondContact N-O 2.81Å; T634-G637 PolarHBondContact O-N 2.66Å; T634-G637 PolarHBondContact OG1-N 3Å; T634-G637 PolarHBondContact OG1-O 2.85Å
638	L	87.3	Confident	78.6	Confident	67 Å²	67	53.6 Å²	53.6	35%	0.351	29%	0.294	S	S	.	.			trans	-81.9	156.9	-170.7	-60.4	173	0	0	0	113	R628 P640	R628-L638 HydrophobicContact CB-CD1 4.28Å; R628-L638 HydrophobicContact CB-CD2 4.44Å; L638-P640 VanDerWaalsContact C-CD 3.49Å; L638-P640 WeakPolarHBondContact O-CD 3.38Å
639	V	91.5	Very high	80.1	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.018	32%	0.315	C	S	.	.			trans	-119.8	73.1	173.3	-170.5	0	0	0	0	110.6	R512 L607 I611 H614 A620 T634	R512-V639 PolarHBondContact NH2-O 2.67Å; R512-V639 VanDerWaalsContact NH2-O 3.1Å; L607-V639 HydrophobicContact CD1-CG1 4.41Å; I611-V639 HydrophobicContact CB-CG1 4.38Å; I611-V639 HydrophobicContact CG1-CG1 3.43Å; I611-V639 VanDerWaalsContact CG1-CG1 3.43Å; H614-V639 HydrophobicContact CB-CG2 4.13Å; A620-V639 HydrophobicContact CB-CB 4.28Å; A620-V639 HydrophobicContact CB-CG1 4.11Å; T634-V639 HydrophobicContact CG2-CG2 3.69Å
640	P	92.8	Very high	82	Confident	19 Å²	19	58.6 Å²	58.6	12%	0.123	31%	0.308	C	S	.	.			trans	-63.9	160	-175.3	27.2	-35.1	0	0	0	112.5	R512 L607 L638 I643 L654	R512-P640 PolarHBondContact NE-O 3.46Å; R512-P640 VanDerWaalsContact NE-O 3.08Å; L607-P640 HydrophobicContact CD1-CG 3.96Å; L638-P640 VanDerWaalsContact C-CD 3.49Å; L638-P640 WeakPolarHBondContact O-CD 3.38Å; P640-I643 HydrophobicContact CB-CG1 4.39Å; P640-I643 HydrophobicContact CG-CD1 3.98Å; P640-I643 HydrophobicContact CG-CG1 3.79Å; P640-L654 HydrophobicContact CB-CB 4.46Å; P640-L654 HydrophobicContact CB-CD1 4.31Å; P640-L654 HydrophobicContact CB-CD2 4.19Å; P640-L654 HydrophobicContact CG-CD2 4.42Å
641	H	94.1	Very high	84	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.009	30%	0.295	C	S	.	.	S	Bend	trans	-75.9	-55	170.1	175.6	-147.7	0	0	0	110.8	M511 R512 L565 G566 A622 A656 S657	M511-H641 CarbonylContact C-O 3.53Å; M511-H641 WeakPolarHBondContact CA-O 3.4Å; M511-H641 VanDerWaalsContact CB-O 3.27Å; M511-H641 WeakPolarHBondContact CB-O 3.26Å; M511-H641 WeakPolarHBondContact CE-NE2 3.44Å; R512-H641 PolarHBondContact N-O 2.98Å; R512-H641 PolarHBondContact O-CD2 2.64Å; R512-H641 PolarHBondContact O-NE2 3.39Å; L565-H641 HydrophobicContact CD1-CB 4.31Å; L565-H641 HydrophobicContact CD2-CB 3.93Å; G566-H641 PolarHBondContact O-NE2 3.27Å; A622-H641 HydrophobicContact CB-CB 3.69Å; H641-A656 HydrophobicContact CB-CB 4.03Å; H641-S657 PolarHBondContact CE1-O 3.25Å; H641-S657 PolarHBondContact CE1-OG 3.25Å; H641-S657 PolarHBondContact ND1-N 2.94Å; H641-S657 VanDerWaalsContact ND1-N 3.11Å
642	Q	93.7	Very high	85.6	Confident	4 Å²	4	58 Å²	58	2%	0.019	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.5	179.3	-49.5	179.2	23.5	0	0	109.9	V510 M511 N571 L654 P655 S657	V510-Q642 CarbonylContact O-C 3.52Å; V510-Q642 WeakPolarHBondContact O-CA 3.44Å; M511-Q642 HydrophobicContact CB-CB 4.07Å; M511-Q642 HydrophobicContact CB-CG 3.75Å; M511-Q642 HydrophobicContact CE-CG 4.1Å; M511-Q642 HydrophobicContact SD-CG 4.33Å; N571-Q642 PolarHBondContact ND2-NE2 2.99Å; Q642-L654 VanDerWaalsContact O-CA 3.28Å; Q642-L654 WeakPolarHBondContact O-CA 3.25Å; Q642-P655 HydrophobicContact CB-CG 4.02Å; Q642-P655 WeakPolarHBondContact CB-O 3.46Å; Q642-P655 PolarHBondContact N-O 3.26Å; Q642-S657 PolarHBondContact NE2-OG 3.11Å
643	I	94.5	Very high	87.3	Confident	13 Å²	13	56.6 Å²	56.6	7%	0.067	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	111.9	169.9	-49.7	172.7	0	0	0	105.7	F508 V509 V510 L603 P640 N652 L654	F508-I643 HydrophobicContact CE2-CG2 4.24Å; V509-I643 WeakPolarHBondContact CA-O 3.27Å; V510-I643 HydrophobicContact CB-CB 4.35Å; V510-I643 PolarHBondContact N-O 3.17Å; V510-I643 PolarHBondContact O-N 3.35Å; L603-I643 HydrophobicContact CB-CD1 4.35Å; L603-I643 HydrophobicContact CD1-CG2 4.11Å; L603-I643 HydrophobicContact CD2-CD1 4.44Å; P640-I643 HydrophobicContact CB-CG1 4.39Å; P640-I643 HydrophobicContact CG-CD1 3.98Å; P640-I643 HydrophobicContact CG-CG1 3.79Å; I643-N652 HydrophobicContact CG2-CB 4.5Å; I643-L654 HydrophobicContact CB-CD2 4.04Å; I643-L654 HydrophobicContact CG1-CD2 3.75Å; I643-L654 HydrophobicContact CG2-CD2 3.9Å
644	R	93.2	Very high	88.8	Confident	80 Å²	80	52.7 Å²	52.7	30%	0.302	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.4	177.8	-67.5	-176	179.1	-107.9	-2	108.9	F508 V509 F646 N652 V653 P655	F508-R644 WeakPolarHBondContact O-CA 3.38Å; V509-R644 HydrophobicContact CB-CG 4.36Å; V509-R644 HydrophobicContact CG2-CG 4.02Å; R644-F646 HydrophobicContact CB-CE2 4.21Å; R644-N652 CarbonylContact O-C 3.58Å; R644-N652 WeakPolarHBondContact O-CA 3.49Å; R644-V653 PolarHBondContact N-O 2.85Å; R644-V653 PolarHBondContact O-N 2.79Å; R644-P655 HydrophobicContact CG-CG 4.26Å
645	G	90.9	Very high	89.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.2	-179.2	0	0	0	0	0	112.7	T507 F508 D651 N652	T507-G645 WeakPolarHBondContact CA-O 3.15Å; F508-G645 PolarHBondContact N-O 3.19Å; F508-G645 PolarHBondContact O-N 3.48Å; G645-D651 WeakPolarHBondContact CA-O 3.49Å; G645-N652 WeakPolarHBondContact CA-OD1 3.38Å
646	F	89.1	Confident	90.4	Very high	68 Å²	68	53.1 Å²	53.1	30%	0.298	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	101.6	179.3	-59.9	-94.2	0	0	0	109.1	T507 R644 S648 R649 F650 D651 V653	T507-F646 HydrophobicContact CG2-CD1 3.35Å; T507-F646 HydrophobicContact CG2-CE1 3.73Å; T507-F646 HydrophobicContact CG2-CG 4.16Å; R644-F646 HydrophobicContact CB-CE2 4.21Å; F646-S648 PolarHBondContact O-N 3.41Å; F646-R649 HydrophobicContact CB-CB 4.37Å; F646-R649 CarbonylContact O-C 3.55Å; F646-R649 PolarHBondContact O-N 3.14Å; F646-R649 VanDerWaalsContact O-N 3.08Å; F646-F650 PolarHBondContact O-N 2.9Å; F646-D651 PolarHBondContact N-O 2.99Å; F646-D651 PolarHBondContact O-N 3.06Å; F646-V653 HydrophobicContact CE2-CG2 4.19Å
647	L	88.4	Confident	90.5	Very high	25 Å²	25	51.6 Å²	51.6	13%	0.131	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-17.3	-175.2	-169	62.3	0	0	0	112.9	D506 R593 L596 I599 R649 F650	D506-L647 WeakPolarHBondContact O-CB 3.14Å; D506-L647 PolarHBondContact O-N 2.84Å; R593-L647 HydrophobicContact CB-CD2 4.14Å; R593-L647 PolarHBondContact NH1-O 3.41Å; L596-L647 HydrophobicContact CD2-CB 3.85Å; L596-L647 HydrophobicContact CD2-CD2 4.04Å; L596-L647 HydrophobicContact CG-CD2 4.12Å; I599-L647 HydrophobicContact CD1-CD1 4.22Å; L647-R649 VanDerWaalsContact C-N 3.26Å; L647-F650 HydrophobicContact CD1-CD1 4.08Å; L647-F650 HydrophobicContact CD1-CE1 3.88Å
648	S	88.7	Confident	90.8	Very high	67 Å²	67	53.6 Å²	53.6	47%	0.469	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.7	169.6	42.8	0	0	0	0	112.5	D506 F646	D506-S648 WeakPolarHBondContact OD2-CB 3.37Å; D506-S648 PolarHBondContact OD2-OG 2.83Å; F646-S648 PolarHBondContact O-N 3.41Å
649	R	89.4	Confident	91.1	Very high	195 Å²	195	52 Å²	52	74%	0.736	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-8.7	-178.8	-58.4	-178.5	-171.8	177.1	1.9	113.9	F646 L647 D651	F646-R649 HydrophobicContact CB-CB 4.37Å; F646-R649 CarbonylContact O-C 3.55Å; F646-R649 PolarHBondContact O-N 3.14Å; F646-R649 VanDerWaalsContact O-N 3.08Å; L647-R649 VanDerWaalsContact C-N 3.26Å; R649-D651 HydrophobicContact CB-CB 4.17Å; R649-D651 PolarHBondContact O-N 3.05Å
650	F	92.3	Very high	91.1	Very high	169 Å²	169	54.4 Å²	54.4	74%	0.741	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	39.8	-171.6	-62.4	-88.5	0	0	0	112.7	F646 L647	F646-F650 PolarHBondContact O-N 2.9Å; L647-F650 HydrophobicContact CD1-CD1 4.08Å; L647-F650 HydrophobicContact CD1-CE1 3.88Å
651	D	91.2	Very high	91	Very high	83 Å²	83	58.6 Å²	58.6	44%	0.444	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.9	-173.8	-174.6	32.8	0	0	0	112.1	G645 F646 R649	G645-D651 WeakPolarHBondContact CA-O 3.49Å; F646-D651 PolarHBondContact N-O 2.99Å; F646-D651 PolarHBondContact O-N 3.06Å; R649-D651 HydrophobicContact CB-CB 4.17Å; R649-D651 PolarHBondContact O-N 3.05Å
652	N	89.9	Confident	90.9	Very high	79 Å²	79	60.9 Å²	60.9	42%	0.422	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.3	178.5	-71.4	-32.3	0	0	0	110.9	I643 R644 G645	I643-N652 HydrophobicContact CG2-CB 4.5Å; R644-N652 CarbonylContact O-C 3.58Å; R644-N652 WeakPolarHBondContact O-CA 3.49Å; G645-N652 WeakPolarHBondContact CA-OD1 3.38Å
653	V	89.7	Confident	90.9	Very high	68 Å²	68	60.8 Å²	60.8	41%	0.412	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.3	175.4	-171.1	0	0	0	0	109.8	R644 F646 P655	R644-V653 PolarHBondContact N-O 2.85Å; R644-V653 PolarHBondContact O-N 2.79Å; F646-V653 HydrophobicContact CE2-CG2 4.19Å; V653-P655 WeakPolarHBondContact O-CD 3.39Å
654	L	91	Very high	90.8	Very high	31 Å²	31	60.2 Å²	60.2	16%	0.162	30%	0.304	C	S	.	.			trans	-113.5	64.7	-176.5	-56	-174.7	0	0	0	112.9	P640 Q642 I643	P640-L654 HydrophobicContact CB-CB 4.46Å; P640-L654 HydrophobicContact CB-CD1 4.31Å; P640-L654 HydrophobicContact CB-CD2 4.19Å; P640-L654 HydrophobicContact CG-CD2 4.42Å; Q642-L654 VanDerWaalsContact O-CA 3.28Å; Q642-L654 WeakPolarHBondContact O-CA 3.25Å; I643-L654 HydrophobicContact CB-CD2 4.04Å; I643-L654 HydrophobicContact CG1-CD2 3.75Å; I643-L654 HydrophobicContact CG2-CD2 3.9Å
655	P	89.1	Confident	90.9	Very high	40 Å²	40	56.4 Å²	56.4	26%	0.26	29%	0.29	S	S	.	.			trans	-71.8	146.2	-178.8	29.6	-31.4	0	0	0	111.5	Q642 R644 V653	Q642-P655 HydrophobicContact CB-CG 4.02Å; Q642-P655 WeakPolarHBondContact CB-O 3.46Å; Q642-P655 PolarHBondContact N-O 3.26Å; R644-P655 HydrophobicContact CG-CG 4.26Å; V653-P655 WeakPolarHBondContact O-CD 3.39Å
656	A	89.3	Confident	91	Very high	19 Å²	19	56.6 Å²	56.6	16%	0.157	29%	0.291	C	S	.	.			trans	-115.2	144.3	167.9	0	0	0	0	0	109.5	I560 A622 H641	I560-A656 HydrophobicContact CD1-CB 3.91Å; A622-A656 HydrophobicContact CB-CB 4.26Å; H641-A656 HydrophobicContact CB-CB 4.03Å
657	S	89.4	Confident	91.3	Very high	20 Å²	20	53.4 Å²	53.4	14%	0.14	28%	0.277	C	S	.	.			trans	-144.3	145.9	-179.5	68.9	0	0	0	0	111.2	G566 N571 H641 Q642	G566-S657 PolarHBondContact N-O 2.76Å; N571-S657 VanDerWaalsContact CG-OG 3.29Å; N571-S657 PolarHBondContact ND2-OG 2.8Å; N571-S657 VanDerWaalsContact ND2-OG 3.1Å; N571-S657 WeakPolarHBondContact OD1-CB 3.23Å; N571-S657 PolarHBondContact OD1-OG 3.36Å; H641-S657 PolarHBondContact CE1-O 3.25Å; H641-S657 PolarHBondContact CE1-OG 3.25Å; H641-S657 PolarHBondContact ND1-N 2.94Å; H641-S657 VanDerWaalsContact ND1-N 3.11Å; Q642-S657 PolarHBondContact NE2-OG 3.11Å
658	L	91.6	Very high	91.6	Very high	73 Å²	73	56 Å²	56	38%	0.382	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-74.7	152.5	179.2	-72.2	167.6	0	0	0	110.7	F557 I560 K564 F660	F557-L658 HydrophobicContact CD1-CD1 3.78Å; F557-L658 HydrophobicContact CE1-CD1 3.65Å; I560-L658 HydrophobicContact CB-CD2 4.48Å; I560-L658 HydrophobicContact CD1-CD2 4.15Å; I560-L658 HydrophobicContact CD1-CG 3.99Å; I560-L658 HydrophobicContact CG1-CD2 4.15Å; I560-L658 HydrophobicContact CG1-CG 4.45Å; I560-L658 HydrophobicContact CG2-CD2 3.57Å; I560-L658 HydrophobicContact CG2-CG 4.49Å; K564-L658 HydrophobicContact CB-CD2 4.11Å; K564-L658 CarbonylContact O-C 3.03Å; K564-L658 WeakPolarHBondContact O-CA 3.37Å; L658-F660 PolarHBondContact O-N 3.42Å
659	A	92.8	Very high	91.9	Very high	34 Å²	34	55.6 Å²	55.6	28%	0.281	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-61.3	122.3	167.7	0	0	0	0	0	109.6	K564	K564-A659 PolarHBondContact O-N 3.04Å
660	F	92.6	Very high	92.2	Very high	53 Å²	53	46.3 Å²	46.3	23%	0.232	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-77.9	129.1	177.4	-176.9	-139.5	0	0	0	109.7	C570 L658 K662 C663 L699 L702	C570-F660 HydrophobicContact CB-CB 4.08Å; C570-F660 PolarHBondContact SG-N 3.31Å; L658-F660 PolarHBondContact O-N 3.42Å; F660-K662 VanDerWaalsContact C-N 3.28Å; F660-K662 HydrophobicContact CD1-CB 4.25Å; F660-K662 HydrophobicContact CE1-CB 3.64Å; F660-K662 HydrophobicContact CE2-CB 4.2Å; F660-K662 HydrophobicContact CE2-CG 4.42Å; F660-K662 HydrophobicContact CZ-CB 3.62Å; F660-K662 HydrophobicContact CZ-CD 4.25Å; F660-K662 HydrophobicContact CZ-CG 4.13Å; F660-K662 PolarHBondContact O-N 2.91Å; F660-C663 HydrophobicContact CB-CB 4.17Å; F660-C663 HydrophobicContact CD1-CB 4.45Å; F660-C663 WeakPolarHBondContact O-CB 3.45Å; F660-C663 PolarHBondContact O-N 3.04Å; F660-C663 VanDerWaalsContact O-N 3.15Å; F660-L699 HydrophobicContact CE1-CD2 4.03Å; F660-L699 HydrophobicContact CE1-CG 4.4Å; F660-L699 HydrophobicContact CZ-CD2 4.48Å; F660-L702 HydrophobicContact CZ-CD2 4.02Å
661	D	90.1	Very high	92.3	Very high	108 Å²	108	39 Å²	39	58%	0.578	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-30.7	-177.8	62.3	-29.3	0	0	0	112.5	S667	D661-S667 WeakPolarHBondContact O-CB 3.33Å
662	K	92.3	Very high	92.5	Very high	50 Å²	50	38.6 Å²	38.6	22%	0.217	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	18.9	172.9	-50.6	-176.6	173.8	-171	0	113.9	F660 T664 T697 G698 L699	F660-K662 VanDerWaalsContact C-N 3.28Å; F660-K662 HydrophobicContact CD1-CB 4.25Å; F660-K662 HydrophobicContact CE1-CB 3.64Å; F660-K662 HydrophobicContact CE2-CB 4.2Å; F660-K662 HydrophobicContact CE2-CG 4.42Å; F660-K662 HydrophobicContact CZ-CB 3.62Å; F660-K662 HydrophobicContact CZ-CD 4.25Å; F660-K662 HydrophobicContact CZ-CG 4.13Å; F660-K662 PolarHBondContact O-N 2.91Å; K662-T664 PolarHBondContact O-N 3.42Å; K662-T697 WeakPolarHBondContact CB-O 3.31Å; K662-T697 VanDerWaalsContact CG-O 3.31Å; K662-T697 WeakPolarHBondContact CG-O 3.41Å; K662-T697 VanDerWaalsContact O-CB 3.3Å; K662-T697 WeakPolarHBondContact O-CB 3.36Å; K662-T697 PolarHBondContact O-OG1 2.93Å; K662-G698 PolarHBondContact NZ-O 3.4Å; K662-L699 HydrophobicContact CB-CG 4.2Å; K662-L699 VanDerWaalsContact O-CD1 3.26Å; K662-L699 WeakPolarHBondContact O-CD1 3.48Å
663	C	93.3	Very high	92.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	21%	0.214	C	C	.	.			trans	-60.3	132.4	178	179.2	0	0	0	0	112.4	C567 F660 A665 C666 S667	C567-C663 VanDerWaalsContact SG-SG 3.65Å; F660-C663 HydrophobicContact CB-CB 4.17Å; F660-C663 HydrophobicContact CD1-CB 4.45Å; F660-C663 WeakPolarHBondContact O-CB 3.45Å; F660-C663 PolarHBondContact O-N 3.04Å; F660-C663 VanDerWaalsContact O-N 3.15Å; C663-A665 PolarHBondContact O-N 3.07Å; C663-A665 VanDerWaalsContact O-N 3.11Å; C663-A665 PolarHBondContact SG-N 3.11Å; C663-A665 VanDerWaalsContact SG-N 3.42Å; C663-C666 PolarHBondContact SG-N 2.59Å; C663-S667 WeakPolarHBondContact O-CB 3.4Å; C663-S667 PolarHBondContact O-N 3.15Å; C663-S667 PolarHBondContact O-OG 3.01Å
664	T	92.9	Very high	93.1	Very high	2 Å²	2	35 Å²	35	1%	0.012	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-4.8	179	55.2	0	0	0	0	115.2	W485 A575 K662 L693 L699	W485-T664 PolarHBondContact NE1-O 2.86Å; A575-T664 HydrophobicContact CB-CG2 4Å; K662-T664 PolarHBondContact O-N 3.42Å; T664-L693 HydrophobicContact CG2-CB 4.13Å; T664-L699 HydrophobicContact CG2-CD1 3.5Å
665	A	94.3	Very high	93.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-42.5	-179.8	0	0	0	0	0	114.2	T488 V489 F569 C663	T488-A665 HydrophobicContact CG2-CB 3.93Å; V489-A665 HydrophobicContact CG2-CB 4.26Å; F569-A665 HydrophobicContact CB-CB 3.93Å; F569-A665 HydrophobicContact CD2-CB 3.62Å; F569-A665 HydrophobicContact CE2-CB 4.38Å; F569-A665 HydrophobicContact CG-CB 3.9Å; C663-A665 PolarHBondContact O-N 3.07Å; C663-A665 VanDerWaalsContact O-N 3.11Å; C663-A665 PolarHBondContact SG-N 3.11Å; C663-A665 VanDerWaalsContact SG-N 3.42Å
666	C	94.5	Very high	93.7	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.027	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	12.2	-172.4	82.4	0	0	0	0	115.1	A492 K516 C567 C570 C663	A492-C666 HydrophobicContact CB-CB 4.39Å; K516-C666 WeakPolarHBondContact CE-O 3.34Å; K516-C666 PolarHBondContact NZ-O 3.06Å; C567-C666 HydrophobicContact CB-CB 4.23Å; C570-C666 PolarHBondContact SG-SG 2.81Å; C663-C666 PolarHBondContact SG-N 2.59Å
667	S	94.8	Very high	94	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	24%	0.242	C	C	.	.	S	Bend	trans	-63.4	152.6	170.2	57.6	0	0	0	0	110.9	D661 C663 V669 V670 L671	D661-S667 WeakPolarHBondContact O-CB 3.33Å; C663-S667 WeakPolarHBondContact O-CB 3.4Å; C663-S667 PolarHBondContact O-N 3.15Å; C663-S667 PolarHBondContact O-OG 3.01Å; S667-V669 PolarHBondContact O-N 3.25Å; S667-V670 PolarHBondContact O-N 3.05Å; S667-V670 WeakPolarHBondContact OG-CB 3.45Å; S667-V670 VanDerWaalsContact OG-CG2 3.27Å; S667-V670 WeakPolarHBondContact OG-CG2 3.29Å; S667-V670 PolarHBondContact OG-N 3.31Å; S667-L671 WeakPolarHBondContact O-CG 3.44Å; S667-L671 PolarHBondContact O-N 3.27Å; S667-L671 VanDerWaalsContact O-N 3.12Å
668	P	93.8	Very high	94.3	Very high	79 Å²	79	48.3 Å²	48.3	51%	0.513	25%	0.247	S	C	.	.	H	α-helix	trans	-53.8	-39.7	172.7	-25.2	35	0	0	0	112.4	L671 D672	P668-L671 PolarHBondContact O-N 2.88Å; P668-D672 VanDerWaalsContact O-CB 3.32Å; P668-D672 WeakPolarHBondContact O-CB 3.34Å; P668-D672 VanDerWaalsContact O-CG 3.27Å; P668-D672 PolarHBondContact O-N 3.48Å
669	V	95	Very high	94.5	Very high	59 Å²	59	46.6 Å²	46.6	36%	0.358	24%	0.236	S	C	.	.	H	α-helix	trans	-61.1	-49.8	-179.5	-177.9	0	0	0	0	111.6	S667 L671 D672 H673 L696	S667-V669 PolarHBondContact O-N 3.25Å; V669-L671 PolarHBondContact O-N 2.91Å; V669-D672 PolarHBondContact O-N 2.93Å; V669-H673 PolarHBondContact O-CD2 3.35Å; V669-H673 VanDerWaalsContact O-CD2 3.27Å; V669-H673 PolarHBondContact O-N 3.25Å; V669-H673 VanDerWaalsContact O-N 3.09Å; V669-L696 HydrophobicContact CG1-CD1 4.01Å; V669-L696 HydrophobicContact CG1-CG 3.96Å
670	V	95.5	Very high	94.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-41.7	-179.6	171.4	0	0	0	0	111.4	V489 S667 H673 Y674 F681 L696 T697	V489-V670 HydrophobicContact CG1-CG1 4.48Å; V489-V670 HydrophobicContact CG2-CG1 4.25Å; S667-V670 PolarHBondContact O-N 3.05Å; S667-V670 WeakPolarHBondContact OG-CB 3.45Å; S667-V670 VanDerWaalsContact OG-CG2 3.27Å; S667-V670 WeakPolarHBondContact OG-CG2 3.29Å; S667-V670 PolarHBondContact OG-N 3.31Å; V670-H673 PolarHBondContact O-N 2.55Å; V670-Y674 WeakPolarHBondContact O-CB 3.46Å; V670-Y674 PolarHBondContact O-N 3.47Å; V670-F681 HydrophobicContact CG1-CE1 4.46Å; V670-F681 HydrophobicContact CG1-CZ 4.36Å; V670-L696 HydrophobicContact CG2-CD2 4.38Å; V670-T697 HydrophobicContact CG2-CG2 3.6Å
671	L	95.4	Very high	94.7	Very high	16 Å²	16	45.5 Å²	45.5	8%	0.084	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-43.5	179.1	-64.1	179	0	0	0	111.6	V489 A492 K516 S667 P668 V669 H673 Y674 E675	V489-L671 HydrophobicContact CG1-CD2 4.47Å; A492-L671 HydrophobicContact CB-CD1 4.43Å; A492-L671 HydrophobicContact CB-CD2 3.87Å; K516-L671 HydrophobicContact CG-CD1 4.5Å; S667-L671 WeakPolarHBondContact O-CG 3.44Å; S667-L671 PolarHBondContact O-N 3.27Å; S667-L671 VanDerWaalsContact O-N 3.12Å; P668-L671 PolarHBondContact O-N 2.88Å; V669-L671 PolarHBondContact O-N 2.91Å; L671-H673 VanDerWaalsContact C-N 3.35Å; L671-H673 PolarHBondContact O-N 3.38Å; L671-Y674 PolarHBondContact O-N 3.46Å; L671-E675 WeakPolarHBondContact O-CB 3.44Å; L671-E675 VanDerWaalsContact O-CG 3.3Å; L671-E675 WeakPolarHBondContact O-CG 3.11Å; L671-E675 PolarHBondContact O-N 3.45Å
672	D	95.4	Very high	94.9	Very high	73 Å²	73	40.4 Å²	40.4	39%	0.39	21%	0.206	S	C	.	.	H	α-helix	trans	-61.1	-42	177.3	-78.9	-1.9	0	0	0	111.8	P668 V669 R676	P668-D672 VanDerWaalsContact O-CB 3.32Å; P668-D672 WeakPolarHBondContact O-CB 3.34Å; P668-D672 VanDerWaalsContact O-CG 3.27Å; P668-D672 PolarHBondContact O-N 3.48Å; V669-D672 PolarHBondContact O-N 2.93Å; D672-R676 WeakPolarHBondContact O-CB 3.2Å; D672-R676 WeakPolarHBondContact O-CG 3.33Å; D672-R676 PolarHBondContact O-N 2.82Å
673	H	96.3	Very high	94.9	Very high	60 Å²	60	39.1 Å²	39.1	28%	0.278	20%	0.203	S	C	.	.	H	α-helix	trans	-66.2	-45.2	175.9	-86.4	-80.3	0	0	0	112	V669 V670 L671 E675 R676 E677 F681	V669-H673 PolarHBondContact O-CD2 3.35Å; V669-H673 VanDerWaalsContact O-CD2 3.27Å; V669-H673 PolarHBondContact O-N 3.25Å; V669-H673 VanDerWaalsContact O-N 3.09Å; V670-H673 PolarHBondContact O-N 2.55Å; L671-H673 VanDerWaalsContact C-N 3.35Å; L671-H673 PolarHBondContact O-N 3.38Å; H673-E675 PolarHBondContact O-N 2.98Å; H673-R676 PolarHBondContact O-N 2.77Å; H673-E677 IonicContact CE1-OE1 3.31Å; H673-E677 IonicContact CG-OE1 3.33Å; H673-E677 IonicContact ND1-OE1 3.41Å; H673-E677 PolarHBondContact ND1-OE1 3.32Å; H673-E677 VanDerWaalsContact O-CB 3.31Å; H673-E677 WeakPolarHBondContact O-CB 3.49Å; H673-E677 PolarHBondContact O-N 3.49Å; H673-F681 HydrophobicContact CB-CD1 4.47Å; H673-F681 HydrophobicContact CB-CD2 3.83Å; H673-F681 HydrophobicContact CB-CE1 4.49Å; H673-F681 HydrophobicContact CB-CE2 3.86Å; H673-F681 HydrophobicContact CB-CG 4.14Å; H673-F681 HydrophobicContact CB-CZ 4.19Å
674	Y	96.6	Very high	94.8	Very high	13 Å²	13	43.8 Å²	43.8	5%	0.051	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-44.6	176.5	170.5	-110.3	0	0	0	112	E465 V489 I490 V670 L671 R676 G678 L682	E465-Y674 VanDerWaalsContact CD-OH 3.23Å; E465-Y674 PolarHBondContact OE1-OH 3.24Å; V489-Y674 HydrophobicContact CG1-CD1 3.88Å; V489-Y674 HydrophobicContact CG1-CD2 4.26Å; V489-Y674 HydrophobicContact CG1-CG 3.73Å; I490-Y674 HydrophobicContact CG1-CE2 4.47Å; V670-Y674 WeakPolarHBondContact O-CB 3.46Å; V670-Y674 PolarHBondContact O-N 3.47Å; L671-Y674 PolarHBondContact O-N 3.46Å; Y674-R676 PolarHBondContact O-N 3.13Å; Y674-G678 VanDerWaalsContact O-CA 3.23Å; Y674-G678 WeakPolarHBondContact O-CA 3.29Å; Y674-G678 PolarHBondContact O-N 3.08Å; Y674-L682 HydrophobicContact CD2-CD1 4.18Å; Y674-L682 HydrophobicContact CD2-CD2 3.87Å; Y674-L682 HydrophobicContact CD2-CG 4Å; Y674-L682 HydrophobicContact CE2-CD1 3.82Å; Y674-L682 HydrophobicContact CE2-CD2 4.27Å; Y674-L682 HydrophobicContact CE2-CG 4.18Å
675	E	95.5	Very high	94.7	Very high	102 Å²	102	43.9 Å²	43.9	48%	0.477	22%	0.224	S	C	.	.	H	α-helix	trans	-68.2	-32.7	-178.9	-72.7	177.8	-177.4	0	0	113.1	S493 L671 H673	S493-E675 WeakPolarHBondContact CB-OE1 3.11Å; S493-E675 VanDerWaalsContact OG-CG 3.24Å; S493-E675 WeakPolarHBondContact OG-CG 3.32Å; S493-E675 PolarHBondContact OG-OE1 2.98Å; L671-E675 WeakPolarHBondContact O-CB 3.44Å; L671-E675 VanDerWaalsContact O-CG 3.3Å; L671-E675 WeakPolarHBondContact O-CG 3.11Å; L671-E675 PolarHBondContact O-N 3.45Å; H673-E675 PolarHBondContact O-N 2.98Å
676	R	96.4	Very high	94.6	Very high	203 Å²	203	43.9 Å²	43.9	77%	0.766	22%	0.224	S	C	*	.	H	α-helix	trans	-84.7	-42.9	179.4	-69	175.5	-171.1	-162.8	7.2	113.7	D672 H673 Y674	D672-R676 WeakPolarHBondContact O-CB 3.2Å; D672-R676 WeakPolarHBondContact O-CG 3.33Å; D672-R676 PolarHBondContact O-N 2.82Å; H673-R676 PolarHBondContact O-N 2.77Å; Y674-R676 PolarHBondContact O-N 3.13Å
677	E	95.8	Very high	94.2	Very high	60 Å²	60	45.5 Å²	45.5	28%	0.28	23%	0.232	S	C	.	.	H	α-helix	trans	-103	-16.2	-170	-70.4	-179.9	-127.6	0	0	113.2	H673 F679 S680 F681 K684	H673-E677 IonicContact CE1-OE1 3.31Å; H673-E677 IonicContact CG-OE1 3.33Å; H673-E677 IonicContact ND1-OE1 3.41Å; H673-E677 PolarHBondContact ND1-OE1 3.32Å; H673-E677 VanDerWaalsContact O-CB 3.31Å; H673-E677 WeakPolarHBondContact O-CB 3.49Å; H673-E677 PolarHBondContact O-N 3.49Å; E677-F679 PolarHBondContact O-N 2.93Å; E677-S680 WeakPolarHBondContact CB-OG 3.49Å; E677-S680 PolarHBondContact O-N 2.74Å; E677-S680 VanDerWaalsContact O-N 3.14Å; E677-S680 PolarHBondContact O-OG 3.04Å; E677-F681 HydrophobicContact CB-CB 3.63Å; E677-K684 IonicContact OE2-NZ 3.36Å; E677-K684 PolarHBondContact OE2-NZ 3.04Å
678	G	95.2	Very high	93.6	Very high	23 Å²	23	47.3 Å²	47.3	24%	0.237	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	-130.3	178.1	0	0	0	0	0	113.1	Y674 S680 F681 L682	Y674-G678 VanDerWaalsContact O-CA 3.23Å; Y674-G678 WeakPolarHBondContact O-CA 3.29Å; Y674-G678 PolarHBondContact O-N 3.08Å; G678-S680 PolarHBondContact O-N 3.31Å; G678-S680 VanDerWaalsContact O-N 3.15Å; G678-F681 PolarHBondContact O-N 3.47Å; G678-L682 PolarHBondContact O-N 3.03Å
679	F	95.1	Very high	92.3	Very high	38 Å²	38	47.2 Å²	47.2	17%	0.167	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-25.6	-178.9	-173	-102.8	0	0	0	113.7	L454 A457 Q458 V461 E677 L682 S683 F686	L454-F679 HydrophobicContact CD1-CE1 4.11Å; L454-F679 HydrophobicContact CD1-CZ 4.21Å; L454-F679 HydrophobicContact CG-CE1 4.49Å; A457-F679 HydrophobicContact CB-CZ 4.35Å; Q458-F679 HydrophobicContact CB-CD1 4.15Å; Q458-F679 HydrophobicContact CB-CD2 4.2Å; Q458-F679 HydrophobicContact CB-CE1 3.76Å; Q458-F679 HydrophobicContact CB-CE2 3.83Å; Q458-F679 HydrophobicContact CB-CG 4.36Å; Q458-F679 HydrophobicContact CB-CZ 3.59Å; Q458-F679 HydrophobicContact CG-CD1 3.88Å; Q458-F679 HydrophobicContact CG-CD2 4.09Å; Q458-F679 HydrophobicContact CG-CE1 4.02Å; Q458-F679 HydrophobicContact CG-CE2 4.24Å; Q458-F679 HydrophobicContact CG-CG 3.91Å; Q458-F679 HydrophobicContact CG-CZ 4.2Å; V461-F679 HydrophobicContact CB-CD2 4.13Å; V461-F679 HydrophobicContact CB-CE2 4.35Å; V461-F679 HydrophobicContact CG1-CD2 4.23Å; V461-F679 HydrophobicContact CG2-CD2 4.02Å; V461-F679 HydrophobicContact CG2-CE2 3.92Å; E677-F679 PolarHBondContact O-N 2.93Å; F679-L682 PolarHBondContact O-N 2.75Å; F679-S683 VanDerWaalsContact O-CB 3.27Å; F679-S683 WeakPolarHBondContact O-CB 3.47Å; F679-S683 PolarHBondContact O-N 2.96Å; F679-F686 HydrophobicContact CE2-CE2 4.4Å
680	S	94.6	Very high	90.9	Very high	63 Å²	63	49.9 Å²	49.9	44%	0.441	25%	0.254	S	S	.	.	H	α-helix	trans	-67.3	-38.4	178.7	70.7	0	0	0	0	112.1	E677 G678 K684	E677-S680 WeakPolarHBondContact CB-OG 3.49Å; E677-S680 PolarHBondContact O-N 2.74Å; E677-S680 VanDerWaalsContact O-N 3.14Å; E677-S680 PolarHBondContact O-OG 3.04Å; G678-S680 PolarHBondContact O-N 3.31Å; G678-S680 VanDerWaalsContact O-N 3.15Å; S680-K684 WeakPolarHBondContact O-CG 3.26Å; S680-K684 PolarHBondContact O-N 3.33Å
681	F	95.4	Very high	89.9	Confident	1 Å²	1	51.6 Å²	51.6	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-66.1	-48.2	170.8	166.6	-108	0	0	0	111.3	W485 V670 H673 E677 G678 S683 K684 V685 F692 L693 L696	W485-F681 HydrophobicContact CH2-CE1 4.26Å; V670-F681 HydrophobicContact CG1-CE1 4.46Å; V670-F681 HydrophobicContact CG1-CZ 4.36Å; H673-F681 HydrophobicContact CB-CD1 4.47Å; H673-F681 HydrophobicContact CB-CD2 3.83Å; H673-F681 HydrophobicContact CB-CE1 4.49Å; H673-F681 HydrophobicContact CB-CE2 3.86Å; H673-F681 HydrophobicContact CB-CG 4.14Å; H673-F681 HydrophobicContact CB-CZ 4.19Å; E677-F681 HydrophobicContact CB-CB 3.63Å; G678-F681 PolarHBondContact O-N 3.47Å; F681-S683 VanDerWaalsContact C-N 3.28Å; F681-S683 PolarHBondContact O-N 3.3Å; F681-K684 WeakPolarHBondContact O-CB 3.47Å; F681-K684 PolarHBondContact O-N 3.33Å; F681-V685 HydrophobicContact CD1-CG2 4.5Å; F681-V685 HydrophobicContact CD2-CG2 4.32Å; F681-V685 HydrophobicContact CE1-CG2 4.06Å; F681-V685 HydrophobicContact CE2-CG2 3.85Å; F681-V685 HydrophobicContact CZ-CG2 3.71Å; F681-V685 WeakPolarHBondContact O-CG2 3.29Å; F681-V685 PolarHBondContact O-N 3.36Å; F681-F692 HydrophobicContact CD2-CE1 4.32Å; F681-F692 HydrophobicContact CD2-CZ 4.46Å; F681-F692 AromaticContact CE2-CE1 3.81Å; F681-F692 HydrophobicContact CE2-CE1 3.81Å; F681-F692 HydrophobicContact CE2-CZ 4.23Å; F681-L693 HydrophobicContact CZ-CD2 4.26Å; F681-L696 HydrophobicContact CE2-CD2 3.61Å; F681-L696 HydrophobicContact CZ-CD2 3.97Å
682	L	94.5	Very high	89.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58	-41.6	178.4	-64.8	-177.9	0	0	0	112.2	V461 W485 L486 Y674 G678 F679 K684 V685 F686	V461-L682 HydrophobicContact CG1-CD1 3.65Å; V461-L682 HydrophobicContact CG2-CD1 4.24Å; W485-L682 HydrophobicContact CH2-CD2 3.79Å; W485-L682 HydrophobicContact CZ3-CD2 3.83Å; L486-L682 HydrophobicContact CD1-CD1 3.73Å; L486-L682 HydrophobicContact CD1-CD2 3.71Å; L486-L682 HydrophobicContact CD1-CG 4.34Å; Y674-L682 HydrophobicContact CD2-CD1 4.18Å; Y674-L682 HydrophobicContact CD2-CD2 3.87Å; Y674-L682 HydrophobicContact CD2-CG 4Å; Y674-L682 HydrophobicContact CE2-CD1 3.82Å; Y674-L682 HydrophobicContact CE2-CD2 4.27Å; Y674-L682 HydrophobicContact CE2-CG 4.18Å; G678-L682 PolarHBondContact O-N 3.03Å; F679-L682 PolarHBondContact O-N 2.75Å; L682-K684 VanDerWaalsContact C-N 3.32Å; L682-K684 PolarHBondContact O-N 3.1Å; L682-V685 WeakPolarHBondContact O-CB 3.19Å; L682-V685 PolarHBondContact O-N 3.27Å; L682-V685 VanDerWaalsContact O-N 3.11Å; L682-F686 HydrophobicContact CB-CD2 4.47Å; L682-F686 HydrophobicContact CB-CE2 3.69Å; L682-F686 HydrophobicContact CB-CZ 3.74Å; L682-F686 HydrophobicContact CD1-CZ 4.46Å; L682-F686 HydrophobicContact CD2-CZ 4.43Å; L682-F686 HydrophobicContact CG-CZ 4.45Å; L682-F686 WeakPolarHBondContact O-CD2 3.42Å; L682-F686 WeakPolarHBondContact O-CG 3.37Å; L682-F686 PolarHBondContact O-N 3.04Å
683	S	92.4	Very high	89.1	Confident	23 Å²	23	50.3 Å²	50.3	16%	0.161	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-41	175.8	-168.6	0	0	0	0	111.7	F679 F681 N687	F679-S683 VanDerWaalsContact O-CB 3.27Å; F679-S683 WeakPolarHBondContact O-CB 3.47Å; F679-S683 PolarHBondContact O-N 2.96Å; F681-S683 VanDerWaalsContact C-N 3.28Å; F681-S683 PolarHBondContact O-N 3.3Å; S683-N687 WeakPolarHBondContact O-CB 3.47Å; S683-N687 PolarHBondContact O-N 2.64Å; S683-N687 VanDerWaalsContact O-N 3.16Å; S683-N687 PolarHBondContact O-ND2 3.01Å; S683-N687 PolarHBondContact OG-ND2 3.15Å
684	K	91.2	Very high	88.7	Confident	99 Å²	99	48.3 Å²	48.3	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-60.7	-45.7	172.7	-65.3	167.8	-171.8	167.3	0	110.8	E677 S680 F681 L682 F686 N687 S688 F692	E677-K684 IonicContact OE2-NZ 3.36Å; E677-K684 PolarHBondContact OE2-NZ 3.04Å; S680-K684 WeakPolarHBondContact O-CG 3.26Å; S680-K684 PolarHBondContact O-N 3.33Å; F681-K684 WeakPolarHBondContact O-CB 3.47Å; F681-K684 PolarHBondContact O-N 3.33Å; L682-K684 VanDerWaalsContact C-N 3.32Å; L682-K684 PolarHBondContact O-N 3.1Å; K684-F686 PolarHBondContact O-N 2.87Å; K684-N687 PolarHBondContact O-N 2.89Å; K684-S688 VanDerWaalsContact O-CB 3.22Å; K684-S688 WeakPolarHBondContact O-CB 3.46Å; K684-S688 PolarHBondContact O-N 3.03Å; K684-S688 PolarHBondContact O-OG 3.23Å; K684-F692 HydrophobicContact CB-CE1 4.33Å; K684-F692 HydrophobicContact CB-CZ 4.15Å; K684-F692 HydrophobicContact CD-CZ 4.44Å
685	V	91.5	Very high	88.4	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.03	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-44.5	-179.6	177.1	0	0	0	0	112.4	P443 W485 F681 L682 N687 F692 L693	P443-V685 HydrophobicContact CB-CG1 4.01Å; P443-V685 HydrophobicContact CG-CG1 4.11Å; W485-V685 HydrophobicContact CE3-CG1 4.37Å; W485-V685 HydrophobicContact CH2-CB 3.98Å; W485-V685 HydrophobicContact CH2-CG1 3.59Å; W485-V685 HydrophobicContact CH2-CG2 3.88Å; W485-V685 HydrophobicContact CZ2-CG1 3.93Å; W485-V685 HydrophobicContact CZ2-CG2 4.28Å; W485-V685 HydrophobicContact CZ3-CB 4.36Å; W485-V685 HydrophobicContact CZ3-CG1 3.81Å; F681-V685 HydrophobicContact CD1-CG2 4.5Å; F681-V685 HydrophobicContact CD2-CG2 4.32Å; F681-V685 HydrophobicContact CE1-CG2 4.06Å; F681-V685 HydrophobicContact CE2-CG2 3.85Å; F681-V685 HydrophobicContact CZ-CG2 3.71Å; F681-V685 WeakPolarHBondContact O-CG2 3.29Å; F681-V685 PolarHBondContact O-N 3.36Å; L682-V685 WeakPolarHBondContact O-CB 3.19Å; L682-V685 PolarHBondContact O-N 3.27Å; L682-V685 VanDerWaalsContact O-N 3.11Å; V685-N687 VanDerWaalsContact C-N 3.33Å; V685-N687 PolarHBondContact O-N 3.4Å; V685-F692 HydrophobicContact CG2-CD1 3.89Å; V685-F692 HydrophobicContact CG2-CE1 3.64Å; V685-L693 HydrophobicContact CG1-CD1 3.81Å; V685-L693 HydrophobicContact CG1-CD2 4.2Å; V685-L693 HydrophobicContact CG1-CG 4.07Å; V685-L693 HydrophobicContact CG2-CD2 3.82Å; V685-L693 HydrophobicContact CG2-CG 4.41Å
686	F	90.7	Very high	88.1	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.4	-36.4	-179.7	-54.2	-34.2	0	0	0	112.2	P441 H445 V447 V461 W485 L486 F679 L682 K684	P441-F686 HydrophobicContact CB-CD1 4.18Å; P441-F686 HydrophobicContact CB-CD2 3.98Å; P441-F686 HydrophobicContact CB-CE1 3.87Å; P441-F686 HydrophobicContact CB-CE2 3.65Å; P441-F686 HydrophobicContact CB-CG 4.26Å; P441-F686 HydrophobicContact CB-CZ 3.6Å; P441-F686 HydrophobicContact CG-CE2 4.36Å; P441-F686 HydrophobicContact CG-CZ 4.48Å; H445-F686 CarbonylContact C-O 3.54Å; H445-F686 PolarHBondContact N-O 3.35Å; H445-F686 VanDerWaalsContact O-O 3.13Å; V447-F686 HydrophobicContact CG1-CB 4.31Å; V447-F686 HydrophobicContact CG1-CD2 4.49Å; V447-F686 HydrophobicContact CG2-CB 4.04Å; V447-F686 HydrophobicContact CG2-CD2 4.06Å; V461-F686 HydrophobicContact CG2-CE2 4.28Å; V461-F686 HydrophobicContact CG2-CZ 4.43Å; W485-F686 HydrophobicContact CE3-CE1 4.47Å; W485-F686 AromaticContact CZ3-CE1 4Å; W485-F686 HydrophobicContact CZ3-CE1 4Å; L486-F686 HydrophobicContact CD1-CZ 4.19Å; L486-F686 HydrophobicContact CD2-CZ 4.04Å; F679-F686 HydrophobicContact CE2-CE2 4.4Å; L682-F686 HydrophobicContact CB-CD2 4.47Å; L682-F686 HydrophobicContact CB-CE2 3.69Å; L682-F686 HydrophobicContact CB-CZ 3.74Å; L682-F686 HydrophobicContact CD1-CZ 4.46Å; L682-F686 HydrophobicContact CD2-CZ 4.43Å; L682-F686 HydrophobicContact CG-CZ 4.45Å; L682-F686 WeakPolarHBondContact O-CD2 3.42Å; L682-F686 WeakPolarHBondContact O-CG 3.37Å; L682-F686 PolarHBondContact O-N 3.04Å; K684-F686 PolarHBondContact O-N 2.87Å
687	N	86.9	Confident	87.8	Confident	38 Å²	38	39.8 Å²	39.8	20%	0.203	22%	0.222	C	C	.	.	H	α-helix	trans	-91.9	-7.9	-174.8	-62.7	-55.8	0	0	0	114.3	P446 V447 N448 S683 K684 V685	P446-N687 VanDerWaalsContact CA-OD1 3.28Å; P446-N687 WeakPolarHBondContact CA-OD1 3.46Å; P446-N687 WeakPolarHBondContact CB-OD1 3.48Å; V447-N687 PolarHBondContact N-OD1 3.23Å; N448-N687 WeakPolarHBondContact CB-OD1 3.38Å; N448-N687 PolarHBondContact N-OD1 3.31Å; N448-N687 VanDerWaalsContact N-OD1 3.14Å; N448-N687 PolarHBondContact OD1-OD1 3.45Å; N448-N687 VanDerWaalsContact OD1-OD1 3.13Å; S683-N687 WeakPolarHBondContact O-CB 3.47Å; S683-N687 PolarHBondContact O-N 2.64Å; S683-N687 VanDerWaalsContact O-N 3.16Å; S683-N687 PolarHBondContact O-ND2 3.01Å; S683-N687 PolarHBondContact OG-ND2 3.15Å; K684-N687 PolarHBondContact O-N 2.89Å; V685-N687 VanDerWaalsContact C-N 3.33Å; V685-N687 PolarHBondContact O-N 3.4Å
688	S	82.4	Confident	87.4	Confident	38 Å²	38	37.8 Å²	37.8	27%	0.266	22%	0.217	S	C	.	.	S	Bend	trans	-93.5	160.3	-178.5	-59.9	0	0	0	0	112.7	K684	K684-S688 VanDerWaalsContact O-CB 3.22Å; K684-S688 WeakPolarHBondContact O-CB 3.46Å; K684-S688 PolarHBondContact O-N 3.03Å; K684-S688 PolarHBondContact O-OG 3.23Å
689	S	66.3	Low	86.9	Confident	78 Å²	78	36.7 Å²	36.7	55%	0.545	21%	0.206	S	C	.	.			trans	-63.2	161.3	166.2	49.4	0	0	0	0	111.5	S691 F692	S689-S691 PolarHBondContact O-N 2.71Å; S689-S691 PolarHBondContact OG-OG 3.26Å; S689-F692 PolarHBondContact O-N 2.73Å; S689-F692 VanDerWaalsContact O-N 3.13Å
690	H	65.5	Low	86.4	Confident	115 Å²	115	36.3 Å²	36.3	53%	0.532	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-28.6	-179.7	56.4	-88	0	0	0	114.4	A575 F692	A575-H690 WeakPolarHBondContact CB-O 3.44Å; H690-F692 PolarHBondContact O-N 3.28Å
691	S	74.6	Confident	85.9	Confident	35 Å²	35	38.2 Å²	38.2	25%	0.245	21%	0.211	C	C	.	.	H	α-helix	trans	-67.3	-25.2	-178.3	63.1	0	0	0	0	115	S689 L693 E694 D695	S689-S691 PolarHBondContact O-N 2.71Å; S689-S691 PolarHBondContact OG-OG 3.26Å; S691-L693 VanDerWaalsContact C-N 3.34Å; S691-L693 PolarHBondContact O-N 3.11Å; S691-E694 PolarHBondContact O-N 3.32Å; S691-D695 WeakPolarHBondContact O-CB 2.89Å; S691-D695 PolarHBondContact O-N 3.4Å
692	F	86.6	Confident	85.3	Confident	57 Å²	57	40.3 Å²	40.3	25%	0.25	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-43.7	-173.1	172.9	-100.6	0	0	0	113.1	F681 K684 V685 S689 H690 L696	F681-F692 HydrophobicContact CD2-CE1 4.32Å; F681-F692 HydrophobicContact CD2-CZ 4.46Å; F681-F692 AromaticContact CE2-CE1 3.81Å; F681-F692 HydrophobicContact CE2-CE1 3.81Å; F681-F692 HydrophobicContact CE2-CZ 4.23Å; K684-F692 HydrophobicContact CB-CE1 4.33Å; K684-F692 HydrophobicContact CB-CZ 4.15Å; K684-F692 HydrophobicContact CD-CZ 4.44Å; V685-F692 HydrophobicContact CG2-CD1 3.89Å; V685-F692 HydrophobicContact CG2-CE1 3.64Å; S689-F692 PolarHBondContact O-N 2.73Å; S689-F692 VanDerWaalsContact O-N 3.13Å; H690-F692 PolarHBondContact O-N 3.28Å; F692-L696 VanDerWaalsContact O-CB 3.28Å; F692-L696 WeakPolarHBondContact O-CB 3.38Å; F692-L696 PolarHBondContact O-N 2.81Å
693	L	88.4	Confident	84.7	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-71.8	-32.2	177.6	-72.2	173.9	0	0	0	112	W485 A575 P576 T664 F681 V685 S691 T697	W485-L693 HydrophobicContact CZ2-CD1 3.99Å; W485-L693 HydrophobicContact CZ2-CD2 3.87Å; A575-L693 HydrophobicContact CB-CB 4.3Å; P576-L693 HydrophobicContact CG-CD1 4.25Å; T664-L693 HydrophobicContact CG2-CB 4.13Å; F681-L693 HydrophobicContact CZ-CD2 4.26Å; V685-L693 HydrophobicContact CG1-CD1 3.81Å; V685-L693 HydrophobicContact CG1-CD2 4.2Å; V685-L693 HydrophobicContact CG1-CG 4.07Å; V685-L693 HydrophobicContact CG2-CD2 3.82Å; V685-L693 HydrophobicContact CG2-CG 4.41Å; S691-L693 VanDerWaalsContact C-N 3.34Å; S691-L693 PolarHBondContact O-N 3.11Å; L693-T697 WeakPolarHBondContact O-CB 3.4Å; L693-T697 WeakPolarHBondContact O-CG2 3.44Å; L693-T697 PolarHBondContact O-N 2.9Å; L693-T697 VanDerWaalsContact O-N 3.15Å; L693-T697 PolarHBondContact O-OG1 3.16Å
694	E	88	Confident	84.2	Confident	17 Å²	17	46.9 Å²	46.9	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-69.4	-43.6	177	-57.9	-173.4	160.5	0	0	111.1	A575 S691 T697 G698 L699 T700	A575-E694 HydrophobicContact CB-CG 3.33Å; A575-E694 WeakPolarHBondContact CB-OE1 3.19Å; A575-E694 PolarHBondContact N-OE1 2.91Å; S691-E694 PolarHBondContact O-N 3.32Å; E694-T697 PolarHBondContact O-N 3.13Å; E694-T697 PolarHBondContact O-OG1 3Å; E694-G698 PolarHBondContact O-N 2.63Å; E694-L699 HydrophobicContact CB-CB 3.96Å; E694-L699 HydrophobicContact CG-CB 4.43Å; E694-L699 PolarHBondContact O-N 3.3Å; E694-T700 VanDerWaalsContact C-OG1 3.25Å; E694-T700 WeakPolarHBondContact CB-OG1 3.22Å; E694-T700 PolarHBondContact O-N 3.38Å
695	D	88.4	Confident	83.7	Confident	88 Å²	88	47.5 Å²	47.5	47%	0.471	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-47.1	176.7	-65.5	-29.9	0	0	0	110.1	S691 T697 G698 T700	S691-D695 WeakPolarHBondContact O-CB 2.89Å; S691-D695 PolarHBondContact O-N 3.4Å; D695-T697 VanDerWaalsContact C-N 3.29Å; D695-T697 PolarHBondContact O-N 3.4Å; D695-G698 PolarHBondContact O-N 2.99Å; D695-T700 WeakPolarHBondContact CA-OG1 3.33Å; D695-T700 PolarHBondContact N-OG1 3.48Å; D695-T700 VanDerWaalsContact N-OG1 3.15Å; D695-T700 VanDerWaalsContact OD1-CB 3.23Å; D695-T700 WeakPolarHBondContact OD1-CB 3.19Å; D695-T700 WeakPolarHBondContact OD1-CG2 3.23Å; D695-T700 PolarHBondContact OD1-OG1 3.36Å
696	L	89.7	Confident	83	Confident	41 Å²	41	50.5 Å²	50.5	22%	0.215	27%	0.273	C	S	.	.	H	α-helix	trans	-59.8	-39.4	179.6	-179.2	64.6	0	0	0	112.8	V669 V670 F681 F692	V669-L696 HydrophobicContact CG1-CD1 4.01Å; V669-L696 HydrophobicContact CG1-CG 3.96Å; V670-L696 HydrophobicContact CG2-CD2 4.38Å; F681-L696 HydrophobicContact CE2-CD2 3.61Å; F681-L696 HydrophobicContact CZ-CD2 3.97Å; F692-L696 VanDerWaalsContact O-CB 3.28Å; F692-L696 WeakPolarHBondContact O-CB 3.38Å; F692-L696 PolarHBondContact O-N 2.81Å
697	T	90.4	Very high	82.2	Confident	11 Å²	11	56 Å²	56	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-88.9	-5.6	-176.6	52.5	0	0	0	0	113.5	K662 V670 L693 E694 D695 L699	K662-T697 WeakPolarHBondContact CB-O 3.31Å; K662-T697 VanDerWaalsContact CG-O 3.31Å; K662-T697 WeakPolarHBondContact CG-O 3.41Å; K662-T697 VanDerWaalsContact O-CB 3.3Å; K662-T697 WeakPolarHBondContact O-CB 3.36Å; K662-T697 PolarHBondContact O-OG1 2.93Å; V670-T697 HydrophobicContact CG2-CG2 3.6Å; L693-T697 WeakPolarHBondContact O-CB 3.4Å; L693-T697 WeakPolarHBondContact O-CG2 3.44Å; L693-T697 PolarHBondContact O-N 2.9Å; L693-T697 VanDerWaalsContact O-N 3.15Å; L693-T697 PolarHBondContact O-OG1 3.16Å; E694-T697 PolarHBondContact O-N 3.13Å; E694-T697 PolarHBondContact O-OG1 3Å; D695-T697 VanDerWaalsContact C-N 3.29Å; D695-T697 PolarHBondContact O-N 3.4Å; T697-L699 VanDerWaalsContact C-N 3.25Å
698	G	87.3	Confident	81.4	Confident	17 Å²	17	56.6 Å²	56.6	18%	0.175	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	20.3	-174.2	0	0	0	0	0	113.5	K662 E694 D695 L702	K662-G698 PolarHBondContact NZ-O 3.4Å; E694-G698 PolarHBondContact O-N 2.63Å; D695-G698 PolarHBondContact O-N 2.99Å; G698-L702 PolarHBondContact O-N 3.21Å
699	L	85	Confident	80.8	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-71.9	-36.8	172.1	-99.9	166.5	0	0	0	111.2	V573 F660 K662 T664 E694 T697 L701 L702 H703	V573-L699 HydrophobicContact CB-CD2 4.26Å; V573-L699 VanDerWaalsContact O-CD2 3.28Å; V573-L699 WeakPolarHBondContact O-CD2 3.41Å; F660-L699 HydrophobicContact CE1-CD2 4.03Å; F660-L699 HydrophobicContact CE1-CG 4.4Å; F660-L699 HydrophobicContact CZ-CD2 4.48Å; K662-L699 HydrophobicContact CB-CG 4.2Å; K662-L699 VanDerWaalsContact O-CD1 3.26Å; K662-L699 WeakPolarHBondContact O-CD1 3.48Å; T664-L699 HydrophobicContact CG2-CD1 3.5Å; E694-L699 HydrophobicContact CB-CB 3.96Å; E694-L699 HydrophobicContact CG-CB 4.43Å; E694-L699 PolarHBondContact O-N 3.3Å; T697-L699 VanDerWaalsContact C-N 3.25Å; L699-L701 VanDerWaalsContact C-N 3.31Å; L699-L701 PolarHBondContact O-N 3.46Å; L699-L702 HydrophobicContact CD2-CD2 4.17Å; L699-L702 WeakPolarHBondContact O-CB 3.39Å; L699-L702 PolarHBondContact O-N 3.38Å; L699-L702 VanDerWaalsContact O-N 3.08Å; L699-H703 PolarHBondContact O-N 3.35Å
700	T	84.2	Confident	80.8	Confident	30 Å²	30	59.5 Å²	59.5	18%	0.184	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-44.9	174.9	-51.4	0	0	0	0	111.6	E694 D695 H703 Q704	E694-T700 VanDerWaalsContact C-OG1 3.25Å; E694-T700 WeakPolarHBondContact CB-OG1 3.22Å; E694-T700 PolarHBondContact O-N 3.38Å; D695-T700 WeakPolarHBondContact CA-OG1 3.33Å; D695-T700 PolarHBondContact N-OG1 3.48Å; D695-T700 VanDerWaalsContact N-OG1 3.15Å; D695-T700 VanDerWaalsContact OD1-CB 3.23Å; D695-T700 WeakPolarHBondContact OD1-CB 3.19Å; D695-T700 WeakPolarHBondContact OD1-CG2 3.23Å; D695-T700 PolarHBondContact OD1-OG1 3.36Å; T700-H703 PolarHBondContact O-N 3.2Å; T700-Q704 WeakPolarHBondContact O-CG 3.48Å; T700-Q704 PolarHBondContact O-N 3.49Å
701	L	84.9	Confident	80.7	Confident	102 Å²	102	59.5 Å²	59.5	53%	0.534	32%	0.321	S	S	.	.	H	α-helix	trans	-61.6	-42.3	174	-93.4	148.8	0	0	0	111.7	L699 H703 Q704 E705	L699-L701 VanDerWaalsContact C-N 3.31Å; L699-L701 PolarHBondContact O-N 3.46Å; L701-H703 PolarHBondContact O-N 3.49Å; L701-Q704 PolarHBondContact O-N 3.21Å; L701-E705 WeakPolarHBondContact O-CB 3.5Å; L701-E705 WeakPolarHBondContact O-CG 3.48Å; L701-E705 PolarHBondContact O-N 2.95Å
702	L	83.4	Confident	79.8	Confident	46 Å²	46	67.3 Å²	67.3	24%	0.241	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-41.5	177.5	-173	70.5	0	0	0	112	F660 G698 L699 E705 T706	F660-L702 HydrophobicContact CZ-CD2 4.02Å; G698-L702 PolarHBondContact O-N 3.21Å; L699-L702 HydrophobicContact CD2-CD2 4.17Å; L699-L702 WeakPolarHBondContact O-CB 3.39Å; L699-L702 PolarHBondContact O-N 3.38Å; L699-L702 VanDerWaalsContact O-N 3.08Å; L702-E705 PolarHBondContact O-N 2.65Å; L702-T706 WeakPolarHBondContact O-CB 3.38Å; L702-T706 PolarHBondContact O-N 2.9Å; L702-T706 PolarHBondContact O-OG1 3.28Å
703	H	81.1	Confident	78.3	Confident	48 Å²	48	70.7 Å²	70.7	22%	0.222	37%	0.366	C	S	.	.	H	α-helix	trans	-63.5	-42.6	175.5	-71	159.8	0	0	0	111.8	V573 L699 T700 L701 T706 Q707	V573-H703 PolarHBondContact O-CE1 3.32Å; V573-H703 PolarHBondContact O-NE2 3.04Å; L699-H703 PolarHBondContact O-N 3.35Å; T700-H703 PolarHBondContact O-N 3.2Å; L701-H703 PolarHBondContact O-N 3.49Å; H703-T706 PolarHBondContact O-N 3.07Å; H703-Q707 WeakPolarHBondContact O-CB 3.47Å; H703-Q707 VanDerWaalsContact O-CG 3.32Å; H703-Q707 WeakPolarHBondContact O-CG 3.41Å; H703-Q707 PolarHBondContact O-N 3.19Å
704	Q	81.1	Confident	76.6	Confident	112 Å²	112	77.6 Å²	77.6	52%	0.523	40%	0.4	S	S	.	.	H	α-helix	trans	-63.8	-43.3	176.7	-71.2	171.7	0.7	0	0	112.1	T700 L701 T706 Q707 A708	T700-Q704 WeakPolarHBondContact O-CG 3.48Å; T700-Q704 PolarHBondContact O-N 3.49Å; L701-Q704 PolarHBondContact O-N 3.21Å; Q704-T706 VanDerWaalsContact C-N 3.35Å; Q704-Q707 PolarHBondContact O-N 3.24Å; Q704-A708 VanDerWaalsContact O-CB 3.29Å; Q704-A708 WeakPolarHBondContact O-CB 2.9Å; Q704-A708 PolarHBondContact O-N 3.31Å
705	E	81.2	Confident	74.9	Confident	113 Å²	113	80.3 Å²	80.3	53%	0.528	42%	0.421	S	S	.	.	H	α-helix	trans	-62.7	-41.3	175.7	-73.7	171	171.5	0	0	111.7	L701 L702 A708 A709	L701-E705 WeakPolarHBondContact O-CB 3.5Å; L701-E705 WeakPolarHBondContact O-CG 3.48Å; L701-E705 PolarHBondContact O-N 2.95Å; L702-E705 PolarHBondContact O-N 2.65Å; E705-A708 PolarHBondContact O-N 2.86Å; E705-A709 WeakPolarHBondContact O-CB 3.32Å; E705-A709 PolarHBondContact O-N 3.05Å
706	T	76.8	Confident	73.2	Confident	67 Å²	67	82.1 Å²	82.1	41%	0.411	43%	0.431	S	S	.	.	H	α-helix	trans	-67.2	-45.4	178.4	-50.1	0	0	0	0	111.4	L702 H703 Q704 A708 A709 E710	L702-T706 WeakPolarHBondContact O-CB 3.38Å; L702-T706 PolarHBondContact O-N 2.9Å; L702-T706 PolarHBondContact O-OG1 3.28Å; H703-T706 PolarHBondContact O-N 3.07Å; Q704-T706 VanDerWaalsContact C-N 3.35Å; T706-A708 VanDerWaalsContact C-N 3.34Å; T706-A708 PolarHBondContact O-N 2.71Å; T706-A709 PolarHBondContact O-N 3.46Å; T706-E710 PolarHBondContact O-N 3.15Å
707	Q	73.6	Confident	71.5	Confident	117 Å²	117	87.3 Å²	87.3	55%	0.547	46%	0.459	S	S	.	.	H	α-helix	trans	-63.1	-39.7	176	-74.7	176	-0.4	0	0	112	H703 Q704 A709 E710 I711	H703-Q707 WeakPolarHBondContact O-CB 3.47Å; H703-Q707 VanDerWaalsContact O-CG 3.32Å; H703-Q707 WeakPolarHBondContact O-CG 3.41Å; H703-Q707 PolarHBondContact O-N 3.19Å; Q704-Q707 PolarHBondContact O-N 3.24Å; Q707-A709 VanDerWaalsContact C-N 3.34Å; Q707-E710 PolarHBondContact O-N 3.14Å; Q707-I711 WeakPolarHBondContact O-CD1 3.28Å; Q707-I711 WeakPolarHBondContact O-CG1 3.3Å; Q707-I711 PolarHBondContact O-N 2.89Å
708	A	71.1	Confident	69.5	Low	49 Å²	49	95.6 Å²	95.6	41%	0.405	50%	0.497	S	S	.	.	H	α-helix	trans	-64.7	-38.3	175.9	0	0	0	0	0	112.1	Q704 E705 T706 I711 W712	Q704-A708 VanDerWaalsContact O-CB 3.29Å; Q704-A708 WeakPolarHBondContact O-CB 2.9Å; Q704-A708 PolarHBondContact O-N 3.31Å; E705-A708 PolarHBondContact O-N 2.86Å; T706-A708 VanDerWaalsContact C-N 3.34Å; T706-A708 PolarHBondContact O-N 2.71Å; A708-I711 PolarHBondContact O-N 2.82Å; A708-W712 PolarHBondContact O-N 3.08Å; A708-W712 VanDerWaalsContact O-N 3.08Å
709	A	68.4	Low	67.7	Low	55 Å²	55	99.6 Å²	99.6	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-67.1	-41.8	175.2	0	0	0	0	0	112.5	E705 T706 Q707 I711 W712 D713	E705-A709 WeakPolarHBondContact O-CB 3.32Å; E705-A709 PolarHBondContact O-N 3.05Å; T706-A709 PolarHBondContact O-N 3.46Å; Q707-A709 VanDerWaalsContact C-N 3.34Å; A709-I711 VanDerWaalsContact C-N 3.33Å; A709-I711 PolarHBondContact O-N 3.13Å; A709-W712 PolarHBondContact O-N 3.14Å; A709-D713 PolarHBondContact O-N 3.29Å
710	E	67.3	Low	65.4	Low	122 Å²	122	111.2 Å²	111.2	57%	0.57	58%	0.582	S	S	*	*	H	α-helix	trans	-62.3	-39.4	174.3	-74.5	178.5	173.1	0	0	112.1	T706 Q707 W712 D713 M714	T706-E710 PolarHBondContact O-N 3.15Å; Q707-E710 PolarHBondContact O-N 3.14Å; E710-W712 VanDerWaalsContact C-N 3.34Å; E710-D713 PolarHBondContact O-N 3.5Å; E710-M714 WeakPolarHBondContact O-CG 3.37Å; E710-M714 PolarHBondContact O-N 2.82Å; E710-M714 VanDerWaalsContact O-N 3.1Å
711	I	62.1	Low	64.5	Low	115 Å²	115	115.3 Å²	115.3	59%	0.59	60%	0.602	S	S	*	*	H	α-helix	trans	-66.7	-35.9	176.6	-68	163.7	0	0	0	111.4	Q707 A708 A709 S715	Q707-I711 WeakPolarHBondContact O-CD1 3.28Å; Q707-I711 WeakPolarHBondContact O-CG1 3.3Å; Q707-I711 PolarHBondContact O-N 2.89Å; A708-I711 PolarHBondContact O-N 2.82Å; A709-I711 VanDerWaalsContact C-N 3.33Å; A709-I711 PolarHBondContact O-N 3.13Å; I711-S715 PolarHBondContact O-N 2.93Å
712	W	56.1	Low	63.4	Low	200 Å²	200	116 Å²	116	76%	0.758	61%	0.605	S	S	*	*	H	α-helix	trans	-68.7	-45.5	175.6	-88.7	47.7	0	0	0	112.1	A708 A709 E710 M714 S715	A708-W712 PolarHBondContact O-N 3.08Å; A708-W712 VanDerWaalsContact O-N 3.08Å; A709-W712 PolarHBondContact O-N 3.14Å; E710-W712 VanDerWaalsContact C-N 3.34Å; W712-M714 VanDerWaalsContact C-N 3.26Å; W712-M714 PolarHBondContact O-N 3.35Å; W712-S715 PolarHBondContact O-N 3.07Å; W712-S715 PolarHBondContact O-OG 3.15Å
713	D	56	Low	62.3	Low	127 Å²	127	119.9 Å²	119.9	68%	0.679	63%	0.625	S	S	*	*	H	α-helix	trans	-61.8	-32.9	176.5	-95	-4.2	0	0	0	112.3	A709 E710 S715	A709-D713 PolarHBondContact O-N 3.29Å; E710-D713 PolarHBondContact O-N 3.5Å; D713-S715 VanDerWaalsContact C-N 3.32Å
714	M	52.8	Low	61.2	Low	151 Å²	151	124.1 Å²	124.1	74%	0.744	65%	0.649	S	S	*	*	H	α-helix	trans	-75.9	-16.8	175.4	-71.4	-174.1	69	0	0	114.1	E710 W712	E710-M714 WeakPolarHBondContact O-CG 3.37Å; E710-M714 PolarHBondContact O-N 2.82Å; E710-M714 VanDerWaalsContact O-N 3.1Å; W712-M714 VanDerWaalsContact C-N 3.26Å; W712-M714 PolarHBondContact O-N 3.35Å
715	S	52.2	Low	59.9	Low	74 Å²	74	124.9 Å²	124.9	52%	0.517	66%	0.657	S	S	.	*	H	α-helix	trans	-86.4	-13.6	-178.5	67.3	0	0	0	0	114.2	I711 W712 D713	I711-S715 PolarHBondContact O-N 2.93Å; W712-S715 PolarHBondContact O-N 3.07Å; W712-S715 PolarHBondContact O-OG 3.15Å; D713-S715 VanDerWaalsContact C-N 3.32Å
716	D	53.5	Low	58.5	Low	127 Å²	127	125.7 Å²	125.7	68%	0.679	67%	0.665	S	S	*	*	S	Bend	trans	-87	-10.9	178.3	-77.9	-16.1	0	0	0	113.5
717	D	52	Low	57.2	Low	150 Å²	150	129.9 Å²	129.9	80%	0.802	68%	0.684	S	S	*	*	S	Bend	trans	-94	-0.7	-179.6	-93.1	-17.6	0	0	0	114.7
718	E	49	Very low	55.9	Low	185 Å²	185	130.8 Å²	130.8	86%	0.864	69%	0.694	S	S	*	*	S	Bend	trans	-103.5	49.3	172.4	-74.2	-155	161.4	0	0	113.2
719	S	48.9	Very low	54.7	Low	100 Å²	100	137.7 Å²	137.7	70%	0.699	72%	0.718	S	S	*	*			trans	-146.4	78.1	161.5	60	0	0	0	0	114.1
720	I	37.8	Very low	53.4	Low	246 Å²	246	145.2 Å²	145.2	100%	1.262	74%	0.742	S	S	*	*			trans	-136.6	0	148.4	-59.2	-176	0	0	0	109.6

Retrieved 720 of 720 residues in 1407 ms (Link to these results)

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