A0A087XUV7_POEFO Loading...

Matrix metallopeptidase 14a (membrane-inserted)

AlphaFold DB , UniProt , Accession A0A087XUV7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 557 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	51	Low	48.6	Very low	181 Å²	181	106 Å²	106	89%	0.892	60%	0.597	S	S	*	*				0	-33.1	0	-65.1	-163	78.1	0	0	113.8	Q4 L5	M1-Q4 PolarHBondContact O-N 2.9Å; M1-L5 PolarHBondContact O-N 3.36Å
2	L	45.1	Very low	48.1	Very low	134 Å²	134	104.5 Å²	104.5	70%	0.702	59%	0.586	S	S	*	*	H	α-helix	trans	-53.8	-45.2	172.8	-112.4	78.8	0	0	0	116.2	Q4 L5 L6	L2-Q4 VanDerWaalsContact C-N 3.34Å; L2-Q4 PolarHBondContact O-N 2.61Å; L2-L5 PolarHBondContact O-N 2.79Å; L2-L6 PolarHBondContact O-N 3.04Å; L2-L6 VanDerWaalsContact O-N 3.07Å
3	P	52	Low	47.9	Very low	98 Å²	98	109 Å²	109	64%	0.636	60%	0.596	S	S	*	*	H	α-helix	trans	-71.3	-26.8	-175	23.7	-31.9	0	0	0	113.7	S7	P3-S7 PolarHBondContact O-N 3.06Å; P3-S7 VanDerWaalsContact O-N 3.15Å
4	Q	47.4	Very low	47.7	Very low	141 Å²	141	106.2 Å²	106.2	66%	0.659	59%	0.587	S	S	*	*	H	α-helix	trans	-75.6	-35.6	175.1	-77.2	174	-27.2	0	0	111.9	M1 L2 S7 L8	M1-Q4 PolarHBondContact O-N 2.9Å; L2-Q4 VanDerWaalsContact C-N 3.34Å; L2-Q4 PolarHBondContact O-N 2.61Å; Q4-S7 PolarHBondContact O-N 2.83Å; Q4-L8 WeakPolarHBondContact O-CB 3.35Å; Q4-L8 PolarHBondContact O-N 3.39Å
5	L	46.4	Very low	47.3	Very low	115 Å²	115	107.1 Å²	107.1	60%	0.602	59%	0.59	S	S	*	*	H	α-helix	trans	-68.3	-37.6	173.8	-78.2	159.9	0	0	0	112.1	M1 L2 A9	M1-L5 PolarHBondContact O-N 3.36Å; L2-L5 PolarHBondContact O-N 2.79Å; L5-A9 VanDerWaalsContact O-CB 3.23Å; L5-A9 WeakPolarHBondContact O-CB 3.43Å; L5-A9 PolarHBondContact O-N 3.34Å
6	L	48.6	Very low	47.2	Very low	117 Å²	117	108.5 Å²	108.5	61%	0.613	59%	0.59	S	S	*	*	H	α-helix	trans	-65.8	-39.9	173.8	-96.9	132.2	0	0	0	112.6	L2 C10	L2-L6 PolarHBondContact O-N 3.04Å; L2-L6 VanDerWaalsContact O-N 3.07Å; L6-C10 VanDerWaalsContact O-CB 3.26Å; L6-C10 WeakPolarHBondContact O-CB 3.46Å; L6-C10 PolarHBondContact O-N 3.34Å
7	S	48.4	Very low	47.6	Very low	72 Å²	72	105.5 Å²	105.5	50%	0.503	58%	0.579	S	S	.	*	H	α-helix	trans	-68.8	-41.9	176.1	-170.3	0	0	0	0	112.1	P3 Q4 C10 C11	P3-S7 PolarHBondContact O-N 3.06Å; P3-S7 VanDerWaalsContact O-N 3.15Å; Q4-S7 PolarHBondContact O-N 2.83Å; S7-C10 PolarHBondContact O-N 2.89Å; S7-C11 WeakPolarHBondContact O-CB 3.47Å; S7-C11 PolarHBondContact O-N 3.02Å; S7-C11 PolarHBondContact O-SG 3.03Å
8	L	49	Very low	48.1	Very low	117 Å²	117	104.6 Å²	104.6	61%	0.613	58%	0.577	S	S	*	*	H	α-helix	trans	-64.1	-43.3	174.8	-127.4	88.2	0	0	0	111.8	Q4 C11 L12	Q4-L8 WeakPolarHBondContact O-CB 3.35Å; Q4-L8 PolarHBondContact O-N 3.39Å; L8-C11 PolarHBondContact O-N 2.97Å; L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 WeakPolarHBondContact O-CD1 3.42Å; L8-L12 WeakPolarHBondContact O-CG 3.25Å; L8-L12 PolarHBondContact O-N 2.82Å
9	A	52.9	Low	48.6	Very low	41 Å²	41	104.8 Å²	104.8	34%	0.339	58%	0.578	S	S	.	*	H	α-helix	trans	-62.7	-44.1	176	0	0	0	0	0	111.1	L5 C11 L12 F13	L5-A9 VanDerWaalsContact O-CB 3.23Å; L5-A9 WeakPolarHBondContact O-CB 3.43Å; L5-A9 PolarHBondContact O-N 3.34Å; A9-C11 PolarHBondContact O-N 2.73Å; A9-L12 PolarHBondContact O-N 2.87Å; A9-F13 WeakPolarHBondContact O-CB 3.36Å; A9-F13 VanDerWaalsContact O-CD2 3.24Å; A9-F13 WeakPolarHBondContact O-CD2 3.4Å; A9-F13 PolarHBondContact O-N 2.94Å
10	C	48.4	Very low	49.3	Very low	78 Å²	78	102.3 Å²	102.3	53%	0.527	57%	0.571	S	S	.	*	H	α-helix	trans	-62.9	-42	177.6	-159.4	0	0	0	0	111.9	L6 S7 F13 C14	L6-C10 VanDerWaalsContact O-CB 3.26Å; L6-C10 WeakPolarHBondContact O-CB 3.46Å; L6-C10 PolarHBondContact O-N 3.34Å; S7-C10 PolarHBondContact O-N 2.89Å; C10-F13 PolarHBondContact O-N 2.66Å; C10-C14 WeakPolarHBondContact O-CB 3.35Å; C10-C14 PolarHBondContact O-N 2.96Å; C10-C14 PolarHBondContact O-SG 2.81Å
11	C	45.8	Very low	50.1	Low	72 Å²	72	101 Å²	101	49%	0.486	56%	0.563	S	S	.	*	H	α-helix	trans	-64.1	-41.7	173	-74.1	0	0	0	0	112.8	S7 L8 A9 C14 L15	S7-C11 WeakPolarHBondContact O-CB 3.47Å; S7-C11 PolarHBondContact O-N 3.02Å; S7-C11 PolarHBondContact O-SG 3.03Å; L8-C11 PolarHBondContact O-N 2.97Å; A9-C11 PolarHBondContact O-N 2.73Å; C11-C14 PolarHBondContact O-N 2.75Å; C11-L15 WeakPolarHBondContact O-CB 3.49Å; C11-L15 WeakPolarHBondContact O-CD1 3.48Å; C11-L15 VanDerWaalsContact O-CG 3.31Å; C11-L15 WeakPolarHBondContact O-CG 3.45Å; C11-L15 PolarHBondContact O-N 3.49Å
12	L	41.7	Very low	50.9	Low	88 Å²	88	94.7 Å²	94.7	46%	0.461	53%	0.534	S	S	.	.	H	α-helix	trans	-64.6	-42.1	175.6	-82.5	154.5	0	0	0	111.6	L8 A9 L15 H16	L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 WeakPolarHBondContact O-CD1 3.42Å; L8-L12 WeakPolarHBondContact O-CG 3.25Å; L8-L12 PolarHBondContact O-N 2.82Å; A9-L12 PolarHBondContact O-N 2.87Å; L12-L15 PolarHBondContact O-N 3.31Å; L12-H16 WeakPolarHBondContact O-CB 3.36Å; L12-H16 PolarHBondContact O-N 3.25Å; L12-H16 PolarHBondContact O-ND1 2.87Å
13	F	46	Very low	51.9	Low	163 Å²	163	92.9 Å²	92.9	72%	0.715	53%	0.525	S	S	*	.	H	α-helix	trans	-65.2	-42.9	174.6	-90.8	-77.6	0	0	0	112	A9 C10 H16 S17	A9-F13 WeakPolarHBondContact O-CB 3.36Å; A9-F13 VanDerWaalsContact O-CD2 3.24Å; A9-F13 WeakPolarHBondContact O-CD2 3.4Å; A9-F13 PolarHBondContact O-N 2.94Å; C10-F13 PolarHBondContact O-N 2.66Å; F13-H16 PolarHBondContact O-N 3.09Å; F13-S17 WeakPolarHBondContact O-CB 3.42Å; F13-S17 PolarHBondContact O-N 3.27Å; F13-S17 PolarHBondContact O-OG 3.23Å
14	C	45.5	Very low	53.1	Low	70 Å²	70	96 Å²	96	47%	0.473	53%	0.529	S	S	.	.	H	α-helix	trans	-60.8	-47.6	174.2	-76.5	0	0	0	0	111.4	C10 C11 H16 S17 V18	C10-C14 WeakPolarHBondContact O-CB 3.35Å; C10-C14 PolarHBondContact O-N 2.96Å; C10-C14 PolarHBondContact O-SG 2.81Å; C11-C14 PolarHBondContact O-N 2.75Å; C14-H16 PolarHBondContact O-N 3.24Å; C14-S17 PolarHBondContact O-N 2.73Å; C14-S17 PolarHBondContact O-OG 2.82Å; C14-V18 VanDerWaalsContact O-CG2 3.29Å; C14-V18 WeakPolarHBondContact O-CG2 3.24Å; C14-V18 PolarHBondContact O-N 3.44Å
15	L	40.7	Very low	54.6	Low	120 Å²	120	89.5 Å²	89.5	63%	0.628	50%	0.499	S	S	*	.	H	α-helix	trans	-62	-42.1	177.5	-77.2	160.6	0	0	0	112.3	C11 L12 N19	C11-L15 WeakPolarHBondContact O-CB 3.49Å; C11-L15 WeakPolarHBondContact O-CD1 3.48Å; C11-L15 VanDerWaalsContact O-CG 3.31Å; C11-L15 WeakPolarHBondContact O-CG 3.45Å; C11-L15 PolarHBondContact O-N 3.49Å; L12-L15 PolarHBondContact O-N 3.31Å; L15-N19 WeakPolarHBondContact O-CB 3.34Å; L15-N19 PolarHBondContact O-N 2.89Å
16	H	46.7	Very low	56.2	Low	129 Å²	129	85.3 Å²	85.3	60%	0.597	48%	0.476	S	S	*	.	H	α-helix	trans	-65	-40.1	175.2	-79.4	78.8	0	0	0	112.2	L12 F13 C14 N19 A20	L12-H16 WeakPolarHBondContact O-CB 3.36Å; L12-H16 PolarHBondContact O-N 3.25Å; L12-H16 PolarHBondContact O-ND1 2.87Å; F13-H16 PolarHBondContact O-N 3.09Å; C14-H16 PolarHBondContact O-N 3.24Å; H16-N19 PolarHBondContact O-N 3.21Å; H16-A20 WeakPolarHBondContact O-CB 3.3Å; H16-A20 PolarHBondContact O-N 2.82Å
17	S	53.1	Low	57.6	Low	58 Å²	58	82.3 Å²	82.3	41%	0.406	47%	0.468	S	S	.	.	H	α-helix	trans	-67	-40.1	178.6	75.1	0	0	0	0	112.8	F13 C14 A20 N21	F13-S17 WeakPolarHBondContact O-CB 3.42Å; F13-S17 PolarHBondContact O-N 3.27Å; F13-S17 PolarHBondContact O-OG 3.23Å; C14-S17 PolarHBondContact O-N 2.73Å; C14-S17 PolarHBondContact O-OG 2.82Å; S17-A20 PolarHBondContact O-N 3.05Å; S17-N21 VanDerWaalsContact O-CG 3.28Å; S17-N21 PolarHBondContact O-N 3.5Å; S17-N21 VanDerWaalsContact O-N 3.09Å; S17-N21 PolarHBondContact O-ND2 2.87Å
18	V	57	Low	59.4	Low	89 Å²	89	80.3 Å²	80.3	54%	0.539	45%	0.45	S	S	.	.	H	α-helix	trans	-65.9	-43.6	176.5	172.7	0	0	0	0	110.1	C14 A20 N21 V22	C14-V18 VanDerWaalsContact O-CG2 3.29Å; C14-V18 WeakPolarHBondContact O-CG2 3.24Å; C14-V18 PolarHBondContact O-N 3.44Å; V18-A20 PolarHBondContact O-N 3Å; V18-N21 PolarHBondContact O-N 3.43Å; V18-V22 WeakPolarHBondContact O-CG2 3.23Å; V18-V22 PolarHBondContact O-N 3.28Å; V18-V22 VanDerWaalsContact O-N 3.12Å
19	N	58	Low	61.2	Low	109 Å²	109	74.7 Å²	74.7	58%	0.583	42%	0.42	S	S	*	.	H	α-helix	trans	-67.2	-37.2	-179.8	-137.9	8	0	0	0	112.3	L15 H16 L23	L15-N19 WeakPolarHBondContact O-CB 3.34Å; L15-N19 PolarHBondContact O-N 2.89Å; H16-N19 PolarHBondContact O-N 3.21Å; N19-L23 WeakPolarHBondContact O-CD1 3.19Å; N19-L23 WeakPolarHBondContact O-CG 3.5Å; N19-L23 PolarHBondContact O-N 2.81Å; N19-L23 VanDerWaalsContact O-N 3.13Å
20	A	61.5	Low	62.6	Low	54 Å²	54	74.8 Å²	74.8	45%	0.446	41%	0.414	S	S	.	.	H	α-helix	trans	-66.3	-39.9	175.2	0	0	0	0	0	112.7	H16 S17 V18 L23 K24	H16-A20 WeakPolarHBondContact O-CB 3.3Å; H16-A20 PolarHBondContact O-N 2.82Å; S17-A20 PolarHBondContact O-N 3.05Å; V18-A20 PolarHBondContact O-N 3Å; A20-L23 PolarHBondContact O-N 3.41Å; A20-K24 WeakPolarHBondContact O-CB 3.35Å; A20-K24 PolarHBondContact O-N 2.89Å
21	N	67.2	Low	64.1	Low	74 Å²	74	75 Å²	75	40%	0.396	41%	0.406	S	S	.	.	H	α-helix	trans	-67.4	-37.5	177.9	-73.5	-24.1	0	0	0	112.4	S17 V18 K24 A25	S17-N21 VanDerWaalsContact O-CG 3.28Å; S17-N21 PolarHBondContact O-N 3.5Å; S17-N21 VanDerWaalsContact O-N 3.09Å; S17-N21 PolarHBondContact O-ND2 2.87Å; V18-N21 PolarHBondContact O-N 3.43Å; N21-K24 PolarHBondContact O-N 3.36Å; N21-A25 WeakPolarHBondContact O-CB 3.5Å; N21-A25 PolarHBondContact O-N 3.36Å
22	V	67.8	Low	66	Low	49 Å²	49	71.8 Å²	71.8	30%	0.297	38%	0.383	S	S	.	.	H	α-helix	trans	-65.8	-46.6	175.8	173.8	0	0	0	0	111	V18 K24 A25 E26	V18-V22 WeakPolarHBondContact O-CG2 3.23Å; V18-V22 PolarHBondContact O-N 3.28Å; V18-V22 VanDerWaalsContact O-N 3.12Å; V22-K24 VanDerWaalsContact C-N 3.32Å; V22-K24 PolarHBondContact O-N 2.88Å; V22-A25 PolarHBondContact O-N 2.81Å; V22-E26 PolarHBondContact O-N 3.36Å
23	L	65.9	Low	67.9	Low	96 Å²	96	68 Å²	68	50%	0.503	37%	0.366	S	S	.	.	H	α-helix	trans	-59.4	-41.3	176	-78.2	161.2	0	0	0	112.3	N19 A20 A27	N19-L23 WeakPolarHBondContact O-CD1 3.19Å; N19-L23 WeakPolarHBondContact O-CG 3.5Å; N19-L23 PolarHBondContact O-N 2.81Å; N19-L23 VanDerWaalsContact O-N 3.13Å; A20-L23 PolarHBondContact O-N 3.41Å; L23-A27 PolarHBondContact O-N 2.82Å; L23-A27 VanDerWaalsContact O-N 3.14Å
24	K	76.4	Confident	69.7	Low	165 Å²	165	61 Å²	61	72%	0.717	34%	0.335	S	S	*	.	H	α-helix	trans	-65.4	-40.2	176.6	-168.7	175.8	-178.5	179.9	0	112	A20 N21 V22 W28	A20-K24 WeakPolarHBondContact O-CB 3.35Å; A20-K24 PolarHBondContact O-N 2.89Å; N21-K24 PolarHBondContact O-N 3.36Å; V22-K24 VanDerWaalsContact C-N 3.32Å; V22-K24 PolarHBondContact O-N 2.88Å; K24-W28 WeakPolarHBondContact O-CB 3.19Å; K24-W28 PolarHBondContact O-N 2.95Å
25	A	80	Confident	71.2	Confident	3 Å²	3	58 Å²	58	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-69.2	-38.7	178.2	0	0	0	0	0	112.6	N21 V22 W28 L29 I70 M78	N21-A25 WeakPolarHBondContact O-CB 3.5Å; N21-A25 PolarHBondContact O-N 3.36Å; V22-A25 PolarHBondContact O-N 2.81Å; A25-W28 WeakPolarHBondContact O-CB 3.49Å; A25-W28 PolarHBondContact O-N 3.45Å; A25-L29 VanDerWaalsContact O-CG 3.3Å; A25-L29 WeakPolarHBondContact O-CG 3.4Å; A25-L29 PolarHBondContact O-N 2.9Å; A25-I70 HydrophobicContact CB-CD1 3.38Å; A25-I70 HydrophobicContact CB-CG1 4Å; A25-I70 HydrophobicContact CB-CG2 4.24Å; A25-M78 HydrophobicContact CB-CE 3.8Å; A25-M78 HydrophobicContact CB-SD 4.1Å; A25-M78 WeakPolarHBondContact O-CE 3.26Å
26	E	79.7	Confident	72.4	Confident	27 Å²	27	55.6 Å²	55.6	13%	0.126	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-42.8	175.2	-74.8	-175.5	-165.5	0	0	112.5	V22 W28 L29 Q30 I51	V22-E26 PolarHBondContact O-N 3.36Å; E26-W28 VanDerWaalsContact C-N 3.3Å; E26-W28 PolarHBondContact O-N 2.92Å; E26-L29 PolarHBondContact O-N 3.26Å; E26-Q30 WeakPolarHBondContact O-CG 3.41Å; E26-Q30 PolarHBondContact O-N 3.48Å; E26-I51 WeakPolarHBondContact OE1-CD1 3.41Å
27	A	78.8	Confident	72.9	Confident	55 Å²	55	55.4 Å²	55.4	46%	0.455	32%	0.316	S	S	.	.	H	α-helix	trans	-61	-41.6	174.9	0	0	0	0	0	111.3	L23 Q30 K31	L23-A27 PolarHBondContact O-N 2.82Å; L23-A27 VanDerWaalsContact O-N 3.14Å; A27-Q30 PolarHBondContact O-N 3.36Å; A27-K31 WeakPolarHBondContact O-CB 3.35Å; A27-K31 PolarHBondContact O-N 3.27Å
28	W	86.1	Confident	72.9	Confident	29 Å²	29	54 Å²	54	11%	0.11	31%	0.31	C	S	.	.	H	α-helix	trans	-61.4	-45.8	174.6	-171	110.8	0	0	0	111.6	K24 A25 E26 Q30 K31 Y32 Y34 M58 Y62 M78	K24-W28 WeakPolarHBondContact O-CB 3.19Å; K24-W28 PolarHBondContact O-N 2.95Å; A25-W28 WeakPolarHBondContact O-CB 3.49Å; A25-W28 PolarHBondContact O-N 3.45Å; E26-W28 VanDerWaalsContact C-N 3.3Å; E26-W28 PolarHBondContact O-N 2.92Å; W28-Q30 VanDerWaalsContact C-N 3.27Å; W28-Q30 PolarHBondContact O-N 3.41Å; W28-K31 PolarHBondContact O-N 3.04Å; W28-Y32 AromaticContact CD1-CE2 3.75Å; W28-Y32 AromaticContact CD2-CD2 3.43Å; W28-Y32 HydrophobicContact CD2-CD2 3.43Å; W28-Y32 VanDerWaalsContact CD2-CD2 3.43Å; W28-Y32 AromaticContact CD2-CE2 3.67Å; W28-Y32 HydrophobicContact CD2-CE2 3.67Å; W28-Y32 AromaticContact CE2-CD2 3.45Å; W28-Y32 VanDerWaalsContact CE2-CD2 3.45Å; W28-Y32 AromaticContact CE2-CE2 3.37Å; W28-Y32 AromaticContact CE3-CD2 3.64Å; W28-Y32 HydrophobicContact CE3-CD2 3.64Å; W28-Y32 HydrophobicContact CE3-CE2 4.35Å; W28-Y32 AromaticContact CG-CD2 3.98Å; W28-Y32 HydrophobicContact CG-CD2 3.98Å; W28-Y32 AromaticContact CG-CE2 3.88Å; W28-Y32 HydrophobicContact CG-CE2 3.88Å; W28-Y32 AromaticContact CH2-CD2 3.83Å; W28-Y32 HydrophobicContact CH2-CD2 3.83Å; W28-Y32 HydrophobicContact CH2-CE2 4.41Å; W28-Y32 HydrophobicContact CH2-CG 4.46Å; W28-Y32 AromaticContact CZ2-CD2 3.68Å; W28-Y32 HydrophobicContact CZ2-CD2 3.68Å; W28-Y32 AromaticContact CZ2-CE2 3.8Å; W28-Y32 HydrophobicContact CZ2-CE2 3.8Å; W28-Y32 AromaticContact CZ3-CD2 3.81Å; W28-Y32 HydrophobicContact CZ3-CD2 3.81Å; W28-Y32 HydrophobicContact CZ3-CG 4.47Å; W28-Y32 AromaticContact NE1-CE2 3.47Å; W28-Y32 WeakPolarHBondContact O-CD2 3.36Å; W28-Y32 PolarHBondContact O-N 3.48Å; W28-Y32 VanDerWaalsContact O-N 3.14Å; W28-Y34 HydrophobicContact CH2-CE2 4.44Å; W28-Y34 HydrophobicContact CZ3-CD2 4.09Å; W28-Y34 AromaticContact CZ3-CE2 3.9Å; W28-Y34 HydrophobicContact CZ3-CE2 3.9Å; W28-M58 HydrophobicContact CH2-CG 4.11Å; W28-M58 HydrophobicContact CZ3-CE 4.31Å; W28-M58 HydrophobicContact CZ3-CG 3.69Å; W28-M58 HydrophobicContact CZ3-SD 4.47Å; W28-Y62 AromaticContact CH2-CE2 3.7Å; W28-Y62 HydrophobicContact CH2-CE2 3.7Å; W28-Y62 AromaticContact CH2-CZ 3.98Å; W28-Y62 HydrophobicContact CZ3-CE2 4.43Å; W28-M78 HydrophobicContact CB-CE 3.59Å; W28-M78 HydrophobicContact CD2-CB 4.41Å; W28-M78 HydrophobicContact CD2-CE 3.4Å; W28-M78 HydrophobicContact CD2-CG 4.05Å; W28-M78 HydrophobicContact CE3-CE 3.37Å; W28-M78 HydrophobicContact CE3-CG 4.35Å; W28-M78 HydrophobicContact CG-CE 3.52Å; W28-M78 HydrophobicContact CG-CG 4.5Å; W28-M78 HydrophobicContact CZ2-CG 4.29Å; W28-M78 HydrophobicContact CZ3-CE 4.27Å; W28-M78 PolarHBondContact NE1-O 2.86Å; W28-M78 VanDerWaalsContact NE1-O 3.1Å
29	L	86.9	Confident	72.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-32.6	178.1	-72.3	168.9	0	0	0	112.4	A25 E26 G33 Y34 L35 A54 I55 M58 M78	A25-L29 VanDerWaalsContact O-CG 3.3Å; A25-L29 WeakPolarHBondContact O-CG 3.4Å; A25-L29 PolarHBondContact O-N 2.9Å; E26-L29 PolarHBondContact O-N 3.26Å; L29-G33 PolarHBondContact O-N 2.94Å; L29-Y34 HydrophobicContact CD2-CD2 4.01Å; L29-Y34 HydrophobicContact CD2-CG 3.99Å; L29-Y34 WeakPolarHBondContact O-CA 3.26Å; L29-Y34 WeakPolarHBondContact O-CB 3.38Å; L29-Y34 PolarHBondContact O-N 2.94Å; L29-L35 HydrophobicContact CB-CB 4.46Å; L29-L35 HydrophobicContact CB-CD1 3.65Å; L29-L35 HydrophobicContact CB-CG 3.95Å; L29-L35 HydrophobicContact CD1-CD1 4.08Å; L29-L35 PolarHBondContact O-N 2.97Å; L29-A54 HydrophobicContact CD1-CB 4.42Å; L29-I55 HydrophobicContact CD1-CG1 3.77Å; L29-M58 HydrophobicContact CD2-CB 3.87Å; L29-M58 HydrophobicContact CD2-CE 4.35Å; L29-M58 HydrophobicContact CD2-CG 4.09Å; L29-M78 HydrophobicContact CG-CE 4.23Å
30	Q	80.6	Confident	71.5	Confident	42 Å²	42	55.8 Å²	55.8	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-69.3	-48.1	172.3	-69.1	173.1	27.3	0	0	111.5	E26 A27 W28 Y32 G33 L35	E26-Q30 WeakPolarHBondContact O-CG 3.41Å; E26-Q30 PolarHBondContact O-N 3.48Å; A27-Q30 PolarHBondContact O-N 3.36Å; W28-Q30 VanDerWaalsContact C-N 3.27Å; W28-Q30 PolarHBondContact O-N 3.41Å; Q30-Y32 PolarHBondContact O-N 2.94Å; Q30-G33 PolarHBondContact O-N 3.25Å; Q30-G33 VanDerWaalsContact O-N 3.17Å; Q30-L35 HydrophobicContact CG-CB 3.7Å; Q30-L35 HydrophobicContact CG-CD1 4.41Å
31	K	81.3	Confident	70.5	Confident	83 Å²	83	63.9 Å²	63.9	36%	0.361	34%	0.34	S	S	.	.	H	α-helix	trans	-53.5	-40.4	-179.2	-176.6	173.1	177.2	174	0	112	A27 W28 D183	A27-K31 WeakPolarHBondContact O-CB 3.35Å; A27-K31 PolarHBondContact O-N 3.27Å; W28-K31 PolarHBondContact O-N 3.04Å; K31-D183 IonicContact NZ-OD2 3Å; K31-D183 PolarHBondContact NZ-OD2 3.11Å; K31-D183 VanDerWaalsContact NZ-OD2 3.11Å
32	Y	86.2	Confident	69.3	Low	4 Å²	4	62.2 Å²	62.2	2%	0.016	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	14.1	-175.7	-56.6	-65.9	0	0	0	115.1	W28 Q30 R82 D87	W28-Y32 AromaticContact CD1-CE2 3.75Å; W28-Y32 AromaticContact CD2-CD2 3.43Å; W28-Y32 HydrophobicContact CD2-CD2 3.43Å; W28-Y32 VanDerWaalsContact CD2-CD2 3.43Å; W28-Y32 AromaticContact CD2-CE2 3.67Å; W28-Y32 HydrophobicContact CD2-CE2 3.67Å; W28-Y32 AromaticContact CE2-CD2 3.45Å; W28-Y32 VanDerWaalsContact CE2-CD2 3.45Å; W28-Y32 AromaticContact CE2-CE2 3.37Å; W28-Y32 AromaticContact CE3-CD2 3.64Å; W28-Y32 HydrophobicContact CE3-CD2 3.64Å; W28-Y32 HydrophobicContact CE3-CE2 4.35Å; W28-Y32 AromaticContact CG-CD2 3.98Å; W28-Y32 HydrophobicContact CG-CD2 3.98Å; W28-Y32 AromaticContact CG-CE2 3.88Å; W28-Y32 HydrophobicContact CG-CE2 3.88Å; W28-Y32 AromaticContact CH2-CD2 3.83Å; W28-Y32 HydrophobicContact CH2-CD2 3.83Å; W28-Y32 HydrophobicContact CH2-CE2 4.41Å; W28-Y32 HydrophobicContact CH2-CG 4.46Å; W28-Y32 AromaticContact CZ2-CD2 3.68Å; W28-Y32 HydrophobicContact CZ2-CD2 3.68Å; W28-Y32 AromaticContact CZ2-CE2 3.8Å; W28-Y32 HydrophobicContact CZ2-CE2 3.8Å; W28-Y32 AromaticContact CZ3-CD2 3.81Å; W28-Y32 HydrophobicContact CZ3-CD2 3.81Å; W28-Y32 HydrophobicContact CZ3-CG 4.47Å; W28-Y32 AromaticContact NE1-CE2 3.47Å; W28-Y32 WeakPolarHBondContact O-CD2 3.36Å; W28-Y32 PolarHBondContact O-N 3.48Å; W28-Y32 VanDerWaalsContact O-N 3.14Å; Q30-Y32 PolarHBondContact O-N 2.94Å; Y32-R82 VanDerWaalsContact CD1-NH2 3.31Å; Y32-R82 VanDerWaalsContact CG-CZ 3.47Å; Y32-R82 VanDerWaalsContact CZ-CD 3.47Å; Y32-R82 WeakPolarHBondContact OH-CD 3.19Å; Y32-D87 PolarHBondContact O-N 3.07Å
33	G	80.6	Confident	68.4	Low	10 Å²	10	63.2 Å²	63.2	10%	0.103	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	12.1	167.3	0	0	0	0	0	116	L29 Q30	L29-G33 PolarHBondContact O-N 2.94Å; Q30-G33 PolarHBondContact O-N 3.25Å; Q30-G33 VanDerWaalsContact O-N 3.17Å
34	Y	83	Confident	67.3	Low	14 Å²	14	63.2 Å²	63.2	6%	0.055	35%	0.352	C	S	.	.	S	Bend	trans	-82.1	-25.3	173.6	-62.7	-81.6	0	0	0	112.9	W28 L29 A54 A57 M58 F61 Y62 D87 K88	W28-Y34 HydrophobicContact CH2-CE2 4.44Å; W28-Y34 HydrophobicContact CZ3-CD2 4.09Å; W28-Y34 AromaticContact CZ3-CE2 3.9Å; W28-Y34 HydrophobicContact CZ3-CE2 3.9Å; L29-Y34 HydrophobicContact CD2-CD2 4.01Å; L29-Y34 HydrophobicContact CD2-CG 3.99Å; L29-Y34 WeakPolarHBondContact O-CA 3.26Å; L29-Y34 WeakPolarHBondContact O-CB 3.38Å; L29-Y34 PolarHBondContact O-N 2.94Å; Y34-A54 WeakPolarHBondContact O-CB 3.22Å; Y34-A57 HydrophobicContact CD1-CB 4.12Å; Y34-M58 HydrophobicContact CD1-CB 3.79Å; Y34-M58 HydrophobicContact CD2-CB 4.16Å; Y34-M58 HydrophobicContact CD2-CG 4.24Å; Y34-M58 HydrophobicContact CE1-CB 3.69Å; Y34-M58 HydrophobicContact CE1-CG 4.3Å; Y34-M58 HydrophobicContact CE2-CB 4.05Å; Y34-M58 HydrophobicContact CE2-CG 3.87Å; Y34-M58 HydrophobicContact CG-CB 4.03Å; Y34-F61 HydrophobicContact CE1-CB 4.44Å; Y34-F61 VanDerWaalsContact OH-CD1 3.27Å; Y34-F61 WeakPolarHBondContact OH-CD1 3.48Å; Y34-Y62 HydrophobicContact CE2-CE2 4.35Å; Y34-Y62 WeakPolarHBondContact OH-CE2 3.35Å; Y34-D87 HydrophobicContact CE2-CB 4.18Å; Y34-D87 WeakPolarHBondContact CE2-OD2 3.39Å; Y34-D87 VanDerWaalsContact CZ-OD2 3.28Å; Y34-D87 WeakPolarHBondContact OH-CB 3.38Å; Y34-D87 PolarHBondContact OH-OD2 3.29Å; Y34-K88 HydrophobicContact CD1-CD 4.12Å; Y34-K88 HydrophobicContact CE1-CD 4.21Å
35	L	78.4	Confident	66.1	Low	7 Å²	7	62.2 Å²	62.2	4%	0.037	35%	0.353	C	S	.	.	S	Bend	trans	-121.7	144.7	173.1	-71.4	172	0	0	0	109.9	L29 Q30 A54	L29-L35 HydrophobicContact CB-CB 4.46Å; L29-L35 HydrophobicContact CB-CD1 3.65Å; L29-L35 HydrophobicContact CB-CG 3.95Å; L29-L35 HydrophobicContact CD1-CD1 4.08Å; L29-L35 PolarHBondContact O-N 2.97Å; Q30-L35 HydrophobicContact CG-CB 3.7Å; Q30-L35 HydrophobicContact CG-CD1 4.41Å; L35-A54 HydrophobicContact CD1-CB 4.47Å; L35-A54 HydrophobicContact CD2-CB 3.52Å; L35-A54 HydrophobicContact CG-CB 3.72Å
36	P	65.7	Low	65.2	Low	71 Å²	71	64 Å²	64	46%	0.461	36%	0.359	S	S	.	.			trans	-63	146	174.7	26.4	-33.1	0	0	0	110.5	G38 R46 L93	P36-G38 PolarHBondContact O-N 3.4Å; P36-R46 PolarHBondContact O-NH2 2.88Å; P36-L93 HydrophobicContact CB-CD2 4.46Å
37	P	57.1	Low	64.4	Low	124 Å²	124	65.4 Å²	65.4	81%	0.805	37%	0.372	S	S	*	.			trans	-60	130	170.2	24.7	-31.2	0	0	0	108.4
38	G	51.9	Low	63.8	Low	28 Å²	28	67.9 Å²	67.9	29%	0.289	38%	0.383	S	S	.	.			trans	-140	138.3	-174.6	0	0	0	0	0	112.3	P36	P36-G38 PolarHBondContact O-N 3.4Å
39	D	44.3	Very low	63.1	Low	127 Å²	127	73.3 Å²	73.3	68%	0.679	41%	0.41	S	S	*	.			trans	-57.7	146.4	172.9	-145.8	-13.4	0	0	0	110.5	R41 A42	D39-R41 PolarHBondContact O-N 3.5Å; D39-A42 WeakPolarHBondContact O-CB 3.35Å; D39-A42 PolarHBondContact O-N 3.34Å
40	V	41.6	Very low	62.5	Low	110 Å²	110	75.3 Å²	75.3	67%	0.667	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.5	-174.2	-174	0	0	0	0	111.8
41	R	40.1	Very low	62.5	Low	223 Å²	223	74.7 Å²	74.7	84%	0.842	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-21.5	175.3	-66.9	179.2	174.7	175.8	-1.2	114.5	D39	D39-R41 PolarHBondContact O-N 3.5Å
42	A	44	Very low	62.7	Low	40 Å²	40	75.6 Å²	75.6	33%	0.331	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-11.6	178.9	0	0	0	0	0	113.4	D39 A44 I45	D39-A42 WeakPolarHBondContact O-CB 3.35Å; D39-A42 PolarHBondContact O-N 3.34Å; A42-A44 PolarHBondContact O-N 3.28Å; A42-I45 PolarHBondContact O-N 3.47Å
43	Q	48.3	Very low	62.5	Low	70 Å²	70	79.9 Å²	79.9	33%	0.327	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-61.6	-34.2	174.8	-68.4	176.9	-11.9	0	0	111.6	I45	Q43-I45 PolarHBondContact O-N 2.96Å
44	A	43.4	Very low	62.7	Low	96 Å²	96	79.6 Å²	79.6	79%	0.793	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-72.6	-6.6	177.3	0	0	0	0	0	115.1	A42	A42-A44 PolarHBondContact O-N 3.28Å
45	I	49.3	Very low	63	Low	143 Å²	143	79.2 Å²	79.2	73%	0.733	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-114	3.2	-174.5	-51.7	175.2	0	0	0	111.6	A42 Q43 S47	A42-I45 PolarHBondContact O-N 3.47Å; Q43-I45 PolarHBondContact O-N 2.96Å; I45-S47 PolarHBondContact O-N 3.49Å
46	R	61.9	Low	63.4	Low	42 Å²	42	80 Å²	80	16%	0.158	46%	0.455	C	S	.	.			trans	-74.4	126.3	-179.5	-65.5	-176.2	178.8	-155	-5.6	110.3	P36 I51	P36-R46 PolarHBondContact O-NH2 2.88Å; R46-I51 HydrophobicContact CB-CD1 4.42Å
47	S	62.4	Low	64.3	Low	55 Å²	55	77.6 Å²	77.6	39%	0.385	44%	0.441	S	S	.	.			trans	-66.6	139.5	175.6	68.5	0	0	0	0	109.3	I45 Q49 S50	I45-S47 PolarHBondContact O-N 3.49Å; S47-Q49 PolarHBondContact O-N 2.96Å; S47-Q49 VanDerWaalsContact O-N 3.09Å; S47-S50 WeakPolarHBondContact O-CB 3.29Å; S47-S50 PolarHBondContact O-N 3.48Å; S47-S50 PolarHBondContact O-OG 3.38Å; S47-S50 PolarHBondContact OG-N 3.37Å
48	P	67.6	Low	65.8	Low	107 Å²	107	71.7 Å²	71.7	70%	0.695	40%	0.403	S	S	*	.	H	α-helix	trans	-51.8	-34.4	174.6	-29	35.4	0	0	0	112.8	S50 I51 E52	P48-S50 VanDerWaalsContact C-N 3.32Å; P48-S50 PolarHBondContact O-N 3.37Å; P48-I51 PolarHBondContact O-N 2.69Å; P48-E52 PolarHBondContact O-N 3.14Å
49	Q	70.3	Confident	67.6	Low	144 Å²	144	70.3 Å²	70.3	67%	0.673	39%	0.389	S	S	*	.	H	α-helix	trans	-61.3	-35.3	175.8	-67.5	168.6	-15.1	0	0	113.2	S47 T53	S47-Q49 PolarHBondContact O-N 2.96Å; S47-Q49 VanDerWaalsContact O-N 3.09Å; Q49-T53 WeakPolarHBondContact O-CB 3.38Å; Q49-T53 PolarHBondContact O-N 2.92Å; Q49-T53 PolarHBondContact O-OG1 3.41Å
50	S	74.2	Confident	69.5	Low	41 Å²	41	70.2 Å²	70.2	29%	0.287	38%	0.379	S	S	.	.	H	α-helix	trans	-68.8	-37.4	178.1	70.3	0	0	0	0	112.1	S47 P48 A54	S47-S50 WeakPolarHBondContact O-CB 3.29Å; S47-S50 PolarHBondContact O-N 3.48Å; S47-S50 PolarHBondContact O-OG 3.38Å; S47-S50 PolarHBondContact OG-N 3.37Å; P48-S50 VanDerWaalsContact C-N 3.32Å; P48-S50 PolarHBondContact O-N 3.37Å; S50-A54 WeakPolarHBondContact O-CB 3.32Å; S50-A54 PolarHBondContact O-N 3.05Å
51	I	81.1	Confident	71.5	Confident	30 Å²	30	65.8 Å²	65.8	15%	0.154	35%	0.351	C	S	.	.	H	α-helix	trans	-71.4	-46.5	178.3	-63.4	169.5	0	0	0	109.8	E26 R46 P48 T53 A54 I55	E26-I51 WeakPolarHBondContact OE1-CD1 3.41Å; R46-I51 HydrophobicContact CB-CD1 4.42Å; P48-I51 PolarHBondContact O-N 2.69Å; I51-T53 VanDerWaalsContact C-N 3.28Å; I51-T53 PolarHBondContact O-N 2.67Å; I51-A54 WeakPolarHBondContact O-CB 3.34Å; I51-A54 PolarHBondContact O-N 3.06Å; I51-A54 VanDerWaalsContact O-N 3.13Å; I51-I55 HydrophobicContact CG2-CD1 3.69Å; I51-I55 HydrophobicContact CG2-CG1 4.37Å; I51-I55 VanDerWaalsContact O-CG1 3.3Å; I51-I55 WeakPolarHBondContact O-CG1 3.46Å; I51-I55 PolarHBondContact O-N 2.91Å
52	E	84.6	Confident	73.5	Confident	101 Å²	101	55.8 Å²	55.8	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-57.8	-41.5	175.8	-175.5	-174.9	168.9	0	0	112	P48 I55 S56 G68	P48-E52 PolarHBondContact O-N 3.14Å; E52-I55 PolarHBondContact O-N 3.45Å; E52-S56 VanDerWaalsContact O-CB 3.28Å; E52-S56 WeakPolarHBondContact O-CB 3.48Å; E52-S56 PolarHBondContact O-N 3.47Å; E52-S56 PolarHBondContact O-OG 2.61Å; E52-G68 WeakPolarHBondContact CA-O 3.46Å
53	T	83.6	Confident	75.3	Confident	95 Å²	95	55.5 Å²	55.5	58%	0.583	31%	0.314	S	S	*	.	H	α-helix	trans	-65.1	-42.4	176.6	-58.7	0	0	0	0	111.4	Q49 I51 S56 A57	Q49-T53 WeakPolarHBondContact O-CB 3.38Å; Q49-T53 PolarHBondContact O-N 2.92Å; Q49-T53 PolarHBondContact O-OG1 3.41Å; I51-T53 VanDerWaalsContact C-N 3.28Å; I51-T53 PolarHBondContact O-N 2.67Å; T53-S56 PolarHBondContact O-N 3.15Å; T53-A57 VanDerWaalsContact O-CB 3.29Å; T53-A57 WeakPolarHBondContact O-CB 3.26Å; T53-A57 PolarHBondContact O-N 3.26Å
54	A	85.1	Confident	76.9	Confident	4 Å²	4	53.3 Å²	53.3	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-45.4	177.4	0	0	0	0	0	111.9	L29 Y34 L35 S50 I51 A57 M58	L29-A54 HydrophobicContact CD1-CB 4.42Å; Y34-A54 WeakPolarHBondContact O-CB 3.22Å; L35-A54 HydrophobicContact CD1-CB 4.47Å; L35-A54 HydrophobicContact CD2-CB 3.52Å; L35-A54 HydrophobicContact CG-CB 3.72Å; S50-A54 WeakPolarHBondContact O-CB 3.32Å; S50-A54 PolarHBondContact O-N 3.05Å; I51-A54 WeakPolarHBondContact O-CB 3.34Å; I51-A54 PolarHBondContact O-N 3.06Å; I51-A54 VanDerWaalsContact O-N 3.13Å; A54-A57 PolarHBondContact O-N 3.07Å; A54-M58 WeakPolarHBondContact O-CB 3.25Å; A54-M58 PolarHBondContact O-N 3.43Å
55	I	88.1	Confident	79	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-47.6	175.6	-65.2	159.8	0	0	0	110.2	L29 I51 E52 A57 M58 Q59 G68 I70	L29-I55 HydrophobicContact CD1-CG1 3.77Å; I51-I55 HydrophobicContact CG2-CD1 3.69Å; I51-I55 HydrophobicContact CG2-CG1 4.37Å; I51-I55 VanDerWaalsContact O-CG1 3.3Å; I51-I55 WeakPolarHBondContact O-CG1 3.46Å; I51-I55 PolarHBondContact O-N 2.91Å; E52-I55 PolarHBondContact O-N 3.45Å; I55-A57 VanDerWaalsContact C-N 3.26Å; I55-A57 PolarHBondContact O-N 3.4Å; I55-M58 WeakPolarHBondContact O-CB 3.35Å; I55-M58 PolarHBondContact O-N 3.13Å; I55-M58 VanDerWaalsContact O-N 3.16Å; I55-Q59 HydrophobicContact CG2-CG 4.13Å; I55-Q59 WeakPolarHBondContact O-CB 3.33Å; I55-Q59 WeakPolarHBondContact O-CG 3.47Å; I55-Q59 PolarHBondContact O-N 3.14Å; I55-G68 WeakPolarHBondContact CD1-O 3.24Å; I55-I70 HydrophobicContact CD1-CD1 4.08Å; I55-I70 HydrophobicContact CD1-CG1 3.72Å; I55-I70 HydrophobicContact CG1-CG1 4.18Å
56	S	87	Confident	80.9	Confident	22 Å²	22	48.8 Å²	48.8	15%	0.154	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-36.7	178.7	-63.2	0	0	0	0	112.4	E52 T53 R60 G68	E52-S56 VanDerWaalsContact O-CB 3.28Å; E52-S56 WeakPolarHBondContact O-CB 3.48Å; E52-S56 PolarHBondContact O-N 3.47Å; E52-S56 PolarHBondContact O-OG 2.61Å; T53-S56 PolarHBondContact O-N 3.15Å; S56-R60 VanDerWaalsContact O-CB 3.26Å; S56-R60 WeakPolarHBondContact O-CB 3.41Å; S56-R60 PolarHBondContact O-N 2.97Å; S56-R60 VanDerWaalsContact O-N 3.08Å; S56-R60 PolarHBondContact O-NH1 3.34Å; S56-G68 WeakPolarHBondContact OG-CA 3.4Å
57	A	85.2	Confident	82.2	Confident	21 Å²	21	49.5 Å²	49.5	17%	0.174	28%	0.283	C	S	.	.	H	α-helix	trans	-68.9	-41.3	176.6	0	0	0	0	0	111.7	Y34 T53 A54 I55 F61	Y34-A57 HydrophobicContact CD1-CB 4.12Å; T53-A57 VanDerWaalsContact O-CB 3.29Å; T53-A57 WeakPolarHBondContact O-CB 3.26Å; T53-A57 PolarHBondContact O-N 3.26Å; A54-A57 PolarHBondContact O-N 3.07Å; I55-A57 VanDerWaalsContact C-N 3.26Å; I55-A57 PolarHBondContact O-N 3.4Å; A57-F61 WeakPolarHBondContact O-CB 3.19Å; A57-F61 PolarHBondContact O-N 2.93Å
58	M	89.1	Confident	83.3	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-55.3	174.1	-177.8	-86.7	-90.7	0	0	111.2	W28 L29 Y34 A54 I55 R60 F61 Y62 L64 T74 M78	W28-M58 HydrophobicContact CH2-CG 4.11Å; W28-M58 HydrophobicContact CZ3-CE 4.31Å; W28-M58 HydrophobicContact CZ3-CG 3.69Å; W28-M58 HydrophobicContact CZ3-SD 4.47Å; L29-M58 HydrophobicContact CD2-CB 3.87Å; L29-M58 HydrophobicContact CD2-CE 4.35Å; L29-M58 HydrophobicContact CD2-CG 4.09Å; Y34-M58 HydrophobicContact CD1-CB 3.79Å; Y34-M58 HydrophobicContact CD2-CB 4.16Å; Y34-M58 HydrophobicContact CD2-CG 4.24Å; Y34-M58 HydrophobicContact CE1-CB 3.69Å; Y34-M58 HydrophobicContact CE1-CG 4.3Å; Y34-M58 HydrophobicContact CE2-CB 4.05Å; Y34-M58 HydrophobicContact CE2-CG 3.87Å; Y34-M58 HydrophobicContact CG-CB 4.03Å; A54-M58 WeakPolarHBondContact O-CB 3.25Å; A54-M58 PolarHBondContact O-N 3.43Å; I55-M58 WeakPolarHBondContact O-CB 3.35Å; I55-M58 PolarHBondContact O-N 3.13Å; I55-M58 VanDerWaalsContact O-N 3.16Å; M58-R60 PolarHBondContact O-N 3.47Å; M58-F61 WeakPolarHBondContact O-CB 2.96Å; M58-F61 PolarHBondContact O-N 3.32Å; M58-Y62 HydrophobicContact CG-CD2 3.65Å; M58-Y62 HydrophobicContact CG-CE2 3.65Å; M58-Y62 WeakPolarHBondContact O-CD2 3.11Å; M58-Y62 PolarHBondContact O-N 3.37Å; M58-Y62 HydrophobicContact SD-CD2 3.58Å; M58-Y62 VanDerWaalsContact SD-CD2 3.58Å; M58-Y62 HydrophobicContact SD-CE2 4.04Å; M58-L64 HydrophobicContact SD-CD1 4.21Å; M58-T74 HydrophobicContact CE-CG2 3.43Å; M58-T74 VanDerWaalsContact CE-CG2 3.43Å; M58-M78 HydrophobicContact CE-CE 3.98Å; M58-M78 HydrophobicContact CE-CG 3.67Å; M58-M78 HydrophobicContact CE-SD 3.66Å
59	Q	88.2	Confident	84.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-53.2	-43.2	178.4	-72.7	170.9	-24.6	0	0	111.8	I55 Y62 G63 L64 V66 T67 T69 T74	I55-Q59 HydrophobicContact CG2-CG 4.13Å; I55-Q59 WeakPolarHBondContact O-CB 3.33Å; I55-Q59 WeakPolarHBondContact O-CG 3.47Å; I55-Q59 PolarHBondContact O-N 3.14Å; Q59-Y62 PolarHBondContact O-N 3.06Å; Q59-G63 PolarHBondContact O-N 3Å; Q59-G63 VanDerWaalsContact O-N 3.16Å; Q59-L64 HydrophobicContact CB-CB 4.01Å; Q59-L64 HydrophobicContact CG-CB 4.21Å; Q59-L64 HydrophobicContact CG-CD1 4.34Å; Q59-L64 PolarHBondContact O-N 3.31Å; Q59-V66 HydrophobicContact CB-CG2 4.31Å; Q59-T67 PolarHBondContact NE2-OG1 3.28Å; Q59-T69 PolarHBondContact NE2-O 3.05Å; Q59-T74 HydrophobicContact CG-CG2 4.48Å; Q59-T74 PolarHBondContact NE2-OG1 2.71Å
60	R	85.5	Confident	85.1	Confident	124 Å²	124	40.9 Å²	40.9	47%	0.468	23%	0.234	S	C	.	.	H	α-helix	trans	-64.1	-43.4	176.3	-176.5	179.3	-71	98.8	-3.8	112.6	S56 M58 Y62 G63 V66	S56-R60 VanDerWaalsContact O-CB 3.26Å; S56-R60 WeakPolarHBondContact O-CB 3.41Å; S56-R60 PolarHBondContact O-N 2.97Å; S56-R60 VanDerWaalsContact O-N 3.08Å; S56-R60 PolarHBondContact O-NH1 3.34Å; M58-R60 PolarHBondContact O-N 3.47Å; R60-Y62 PolarHBondContact O-N 2.89Å; R60-G63 PolarHBondContact O-N 2.99Å; R60-V66 HydrophobicContact CB-CG2 4.09Å
61	F	82.1	Confident	85.7	Confident	18 Å²	18	40.9 Å²	40.9	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-35.8	179.2	-170.6	-100.2	0	0	0	112	Y34 A57 M58 D87 H239 D241 P249	Y34-F61 HydrophobicContact CE1-CB 4.44Å; Y34-F61 VanDerWaalsContact OH-CD1 3.27Å; Y34-F61 WeakPolarHBondContact OH-CD1 3.48Å; A57-F61 WeakPolarHBondContact O-CB 3.19Å; A57-F61 PolarHBondContact O-N 2.93Å; M58-F61 WeakPolarHBondContact O-CB 2.96Å; M58-F61 PolarHBondContact O-N 3.32Å; F61-D87 HydrophobicContact CD1-CB 4.13Å; F61-D87 HydrophobicContact CE1-CB 3.72Å; F61-D87 HydrophobicContact CZ-CB 4.04Å; F61-H239 HydrophobicContact CE1-CB 4.17Å; F61-H239 HydrophobicContact CZ-CB 3.85Å; F61-D241 HydrophobicContact CD2-CB 3.81Å; F61-D241 HydrophobicContact CE2-CB 3.85Å; F61-D241 HydrophobicContact CG-CB 4.36Å; F61-D241 HydrophobicContact CZ-CB 4.43Å; F61-P249 HydrophobicContact CD1-CG 4.36Å; F61-P249 HydrophobicContact CE1-CG 3.59Å
62	Y	82.3	Confident	86	Confident	13 Å²	13	45 Å²	45	5%	0.051	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3.9	-179.1	-71	-67.6	0	0	0	115.2	W28 Y34 M58 Q59 R60 L64 R82 D87 P249 F250	W28-Y62 AromaticContact CH2-CE2 3.7Å; W28-Y62 HydrophobicContact CH2-CE2 3.7Å; W28-Y62 AromaticContact CH2-CZ 3.98Å; W28-Y62 HydrophobicContact CZ3-CE2 4.43Å; Y34-Y62 HydrophobicContact CE2-CE2 4.35Å; Y34-Y62 WeakPolarHBondContact OH-CE2 3.35Å; M58-Y62 HydrophobicContact CG-CD2 3.65Å; M58-Y62 HydrophobicContact CG-CE2 3.65Å; M58-Y62 WeakPolarHBondContact O-CD2 3.11Å; M58-Y62 PolarHBondContact O-N 3.37Å; M58-Y62 HydrophobicContact SD-CD2 3.58Å; M58-Y62 VanDerWaalsContact SD-CD2 3.58Å; M58-Y62 HydrophobicContact SD-CE2 4.04Å; Q59-Y62 PolarHBondContact O-N 3.06Å; R60-Y62 PolarHBondContact O-N 2.89Å; Y62-L64 PolarHBondContact O-N 2.89Å; Y62-R82 VanDerWaalsContact OH-CZ 3.31Å; Y62-R82 PolarHBondContact OH-NH1 3.05Å; Y62-D87 PolarHBondContact OH-OD1 3.05Å; Y62-D87 PolarHBondContact OH-OD2 3.27Å; Y62-P249 HydrophobicContact CD1-CG 4.46Å; Y62-P249 HydrophobicContact CE1-CB 3.79Å; Y62-P249 HydrophobicContact CE1-CG 3.53Å; Y62-F250 AromaticContact CD1-CD2 3.49Å; Y62-F250 HydrophobicContact CD1-CD2 3.49Å; Y62-F250 VanDerWaalsContact CD1-CD2 3.49Å; Y62-F250 AromaticContact CD1-CE2 3.06Å; Y62-F250 HydrophobicContact CD1-CE2 3.06Å; Y62-F250 HydrophobicContact CD1-CG 4.38Å; Y62-F250 AromaticContact CD1-CZ 3.64Å; Y62-F250 HydrophobicContact CD1-CZ 3.64Å; Y62-F250 HydrophobicContact CD2-CE2 4.34Å; Y62-F250 HydrophobicContact CD2-CZ 4.35Å; Y62-F250 HydrophobicContact CE1-CD1 4.4Å; Y62-F250 AromaticContact CE1-CD2 3.76Å; Y62-F250 HydrophobicContact CE1-CD2 3.76Å; Y62-F250 HydrophobicContact CE1-CE1 4.07Å; Y62-F250 AromaticContact CE1-CE2 3.43Å; Y62-F250 HydrophobicContact CE1-CE2 3.43Å; Y62-F250 VanDerWaalsContact CE1-CE2 3.43Å; Y62-F250 HydrophobicContact CE1-CG 4.22Å; Y62-F250 AromaticContact CE1-CZ 3.57Å; Y62-F250 HydrophobicContact CE1-CZ 3.57Å; Y62-F250 HydrophobicContact CE2-CZ 4.36Å; Y62-F250 HydrophobicContact CG-CD2 4.37Å; Y62-F250 AromaticContact CG-CE2 3.56Å; Y62-F250 HydrophobicContact CG-CE2 3.56Å; Y62-F250 HydrophobicContact CG-CZ 4.01Å; Y62-F250 AromaticContact CZ-CZ 3.95Å
63	G	81.7	Confident	86	Confident	33 Å²	33	44.7 Å²	44.7	34%	0.34	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	25	-175.3	0	0	0	0	0	113.9	Q59 R60	Q59-G63 PolarHBondContact O-N 3Å; Q59-G63 VanDerWaalsContact O-N 3.16Å; R60-G63 PolarHBondContact O-N 2.99Å
64	L	83.1	Confident	86.2	Confident	25 Å²	25	40.2 Å²	40.2	13%	0.131	23%	0.232	C	C	.	.			trans	-78.8	162.7	171.9	-54.5	179	0	0	0	110.2	M58 Q59 Y62 V66 A77	M58-L64 HydrophobicContact SD-CD1 4.21Å; Q59-L64 HydrophobicContact CB-CB 4.01Å; Q59-L64 HydrophobicContact CG-CB 4.21Å; Q59-L64 HydrophobicContact CG-CD1 4.34Å; Q59-L64 PolarHBondContact O-N 3.31Å; Y62-L64 PolarHBondContact O-N 2.89Å; L64-V66 PolarHBondContact O-N 3.34Å; L64-A77 HydrophobicContact CD1-CB 3.6Å; L64-A77 HydrophobicContact CD2-CB 4.05Å; L64-A77 HydrophobicContact CG-CB 4.45Å
65	T	86.4	Confident	86.3	Confident	78 Å²	78	42.8 Å²	42.8	48%	0.479	25%	0.245	S	C	.	.			trans	-63.4	122	170.5	-56.1	0	0	0	0	108.8	T67	T65-T67 HydrophobicContact CG2-CG2 4.06Å; T65-T67 PolarHBondContact O-N 3.48Å; T65-T67 VanDerWaalsContact O-N 3.12Å
66	V	89.9	Confident	86.2	Confident	65 Å²	65	48.6 Å²	48.6	39%	0.394	27%	0.272	S	S	.	.			trans	-78.4	99.8	-178.4	-175.5	0	0	0	0	109	Q59 R60 L64	Q59-V66 HydrophobicContact CB-CG2 4.31Å; R60-V66 HydrophobicContact CB-CG2 4.09Å; L64-V66 PolarHBondContact O-N 3.34Å
67	T	89.1	Confident	86.2	Confident	58 Å²	58	47.7 Å²	47.7	36%	0.356	27%	0.266	S	S	.	.			trans	-107.7	-18.6	177.5	58.8	0	0	0	0	112.4	Q59 T65 T69 D71	Q59-T67 PolarHBondContact NE2-OG1 3.28Å; T65-T67 HydrophobicContact CG2-CG2 4.06Å; T65-T67 PolarHBondContact O-N 3.48Å; T65-T67 VanDerWaalsContact O-N 3.12Å; T67-T69 PolarHBondContact O-N 3.48Å; T67-T69 PolarHBondContact OG1-N 2.92Å; T67-T69 PolarHBondContact OG1-O 3.47Å; T67-T69 PolarHBondContact OG1-OG1 3.41Å; T67-D71 VanDerWaalsContact CG2-OD2 3.3Å; T67-D71 WeakPolarHBondContact CG2-OD2 3.4Å; T67-D71 PolarHBondContact OG1-OD2 3.08Å; T67-D71 VanDerWaalsContact OG1-OD2 3.07Å
68	G	85.9	Confident	86.3	Confident	3 Å²	3	47.7 Å²	47.7	3%	0.031	26%	0.263	C	S	.	.	S	Bend	trans	70.1	2.9	-174.1	0	0	0	0	0	113.8	E52 I55 S56	E52-G68 WeakPolarHBondContact CA-O 3.46Å; I55-G68 WeakPolarHBondContact CD1-O 3.24Å; S56-G68 WeakPolarHBondContact OG-CA 3.4Å
69	T	89.2	Confident	86.2	Confident	80 Å²	80	51.9 Å²	51.9	49%	0.491	29%	0.291	S	S	.	.	S	Bend	trans	-123.7	154.6	-178.5	61.7	0	0	0	0	110.9	Q59 T67 D71	Q59-T69 PolarHBondContact NE2-O 3.05Å; T67-T69 PolarHBondContact O-N 3.48Å; T67-T69 PolarHBondContact OG1-N 2.92Å; T67-T69 PolarHBondContact OG1-O 3.47Å; T67-T69 PolarHBondContact OG1-OG1 3.41Å; T69-D71 PolarHBondContact O-N 3.31Å
70	I	86.4	Confident	86.2	Confident	41 Å²	41	55.1 Å²	55.1	21%	0.21	30%	0.304	C	S	.	.			trans	-79.2	78.4	175.4	-62.8	154.9	0	0	0	107.9	A25 I55 L75	A25-I70 HydrophobicContact CB-CD1 3.38Å; A25-I70 HydrophobicContact CB-CG1 4Å; A25-I70 HydrophobicContact CB-CG2 4.24Å; I55-I70 HydrophobicContact CD1-CD1 4.08Å; I55-I70 HydrophobicContact CD1-CG1 3.72Å; I55-I70 HydrophobicContact CG1-CG1 4.18Å; I70-L75 HydrophobicContact CG2-CD1 4.1Å; I70-L75 HydrophobicContact CG2-CD2 3.37Å; I70-L75 HydrophobicContact CG2-CG 3.48Å; I70-L75 VanDerWaalsContact CG2-CG 3.48Å
71	D	85.8	Confident	86.4	Confident	41 Å²	41	51.4 Å²	51.4	22%	0.219	30%	0.296	C	S	.	.			trans	-80.6	172.6	173.3	63.9	24.7	0	0	0	111.8	T67 T69 N73 T74 L75	T67-D71 VanDerWaalsContact CG2-OD2 3.3Å; T67-D71 WeakPolarHBondContact CG2-OD2 3.4Å; T67-D71 PolarHBondContact OG1-OD2 3.08Å; T67-D71 VanDerWaalsContact OG1-OD2 3.07Å; T69-D71 PolarHBondContact O-N 3.31Å; D71-N73 VanDerWaalsContact C-N 3.26Å; D71-N73 PolarHBondContact O-N 3.32Å; D71-N73 PolarHBondContact OD1-N 2.76Å; D71-T74 WeakPolarHBondContact O-CB 3.48Å; D71-T74 PolarHBondContact O-N 3.4Å; D71-T74 VanDerWaalsContact O-N 3.08Å; D71-T74 VanDerWaalsContact OD1-CB 3.25Å; D71-T74 WeakPolarHBondContact OD1-CB 3.28Å; D71-T74 PolarHBondContact OD1-N 2.91Å; D71-T74 PolarHBondContact OD1-OG1 2.98Å; D71-L75 PolarHBondContact O-N 2.85Å
72	T	86.9	Confident	86.9	Confident	116 Å²	116	50.6 Å²	50.6	71%	0.712	29%	0.292	S	S	*	.	H	α-helix	trans	-57.2	-39.7	-177.9	-49.4	0	0	0	0	112.4	T74 L75 E76	T72-T74 VanDerWaalsContact C-N 3.33Å; T72-T74 PolarHBondContact O-N 3.01Å; T72-L75 PolarHBondContact O-N 2.82Å; T72-E76 WeakPolarHBondContact O-CB 3.5Å; T72-E76 PolarHBondContact O-N 2.94Å
73	N	85.5	Confident	87.5	Confident	95 Å²	95	50.2 Å²	50.2	51%	0.508	29%	0.291	S	S	.	.	H	α-helix	trans	-66.9	-36.9	178.4	-64.5	-23.7	0	0	0	111.6	D71 A77	D71-N73 VanDerWaalsContact C-N 3.26Å; D71-N73 PolarHBondContact O-N 3.32Å; D71-N73 PolarHBondContact OD1-N 2.76Å; N73-A77 WeakPolarHBondContact O-CB 3.37Å; N73-A77 PolarHBondContact O-N 3.41Å
74	T	86.9	Confident	87.9	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-44.6	176.5	-57	0	0	0	0	110.5	M58 Q59 D71 T72 A77 M78	M58-T74 HydrophobicContact CE-CG2 3.43Å; M58-T74 VanDerWaalsContact CE-CG2 3.43Å; Q59-T74 HydrophobicContact CG-CG2 4.48Å; Q59-T74 PolarHBondContact NE2-OG1 2.71Å; D71-T74 WeakPolarHBondContact O-CB 3.48Å; D71-T74 PolarHBondContact O-N 3.4Å; D71-T74 VanDerWaalsContact O-N 3.08Å; D71-T74 VanDerWaalsContact OD1-CB 3.25Å; D71-T74 WeakPolarHBondContact OD1-CB 3.28Å; D71-T74 PolarHBondContact OD1-N 2.91Å; D71-T74 PolarHBondContact OD1-OG1 2.98Å; T72-T74 VanDerWaalsContact C-N 3.33Å; T72-T74 PolarHBondContact O-N 3.01Å; T74-A77 PolarHBondContact O-N 3.49Å; T74-M78 HydrophobicContact CG2-SD 4Å; T74-M78 WeakPolarHBondContact O-CB 3.29Å; T74-M78 WeakPolarHBondContact O-CG 3.44Å; T74-M78 PolarHBondContact O-N 3.02Å
75	L	88	Confident	88.1	Confident	58 Å²	58	48.3 Å²	48.3	30%	0.304	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-44	175.6	-73.8	173.5	0	0	0	112.4	I70 D71 T72 A77 M78 S79	I70-L75 HydrophobicContact CG2-CD1 4.1Å; I70-L75 HydrophobicContact CG2-CD2 3.37Å; I70-L75 HydrophobicContact CG2-CG 3.48Å; I70-L75 VanDerWaalsContact CG2-CG 3.48Å; D71-L75 PolarHBondContact O-N 2.85Å; T72-L75 PolarHBondContact O-N 2.82Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-A77 PolarHBondContact O-N 3.01Å; L75-M78 PolarHBondContact O-N 2.67Å; L75-S79 PolarHBondContact O-N 3.22Å
76	E	86.3	Confident	88.1	Confident	128 Å²	128	46.7 Å²	46.7	60%	0.598	27%	0.267	S	S	*	.	H	α-helix	trans	-59.4	-46.1	175.3	-173.3	179.8	-177.9	0	0	110.4	T72 M78 S79 R80	T72-E76 WeakPolarHBondContact O-CB 3.5Å; T72-E76 PolarHBondContact O-N 2.94Å; E76-M78 PolarHBondContact O-N 3.07Å; E76-S79 PolarHBondContact O-N 2.97Å; E76-S79 PolarHBondContact O-OG 3.02Å; E76-R80 PolarHBondContact O-N 2.87Å
77	A	86.1	Confident	87.9	Confident	4 Å²	4	44 Å²	44	3%	0.033	25%	0.25	C	S	.	.	H	α-helix	trans	-60.1	-43.8	175.3	0	0	0	0	0	112.7	L64 N73 T74 L75 S79 R80 F250	L64-A77 HydrophobicContact CD1-CB 3.6Å; L64-A77 HydrophobicContact CD2-CB 4.05Å; L64-A77 HydrophobicContact CG-CB 4.45Å; N73-A77 WeakPolarHBondContact O-CB 3.37Å; N73-A77 PolarHBondContact O-N 3.41Å; T74-A77 PolarHBondContact O-N 3.49Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-A77 PolarHBondContact O-N 3.01Å; A77-S79 PolarHBondContact O-N 2.97Å; A77-R80 WeakPolarHBondContact O-CB 3.32Å; A77-R80 PolarHBondContact O-N 3.16Å; A77-R80 VanDerWaalsContact O-N 3.07Å; A77-F250 HydrophobicContact CB-CE2 4.27Å; A77-F250 HydrophobicContact CB-CZ 4.11Å; A77-F250 WeakPolarHBondContact O-CE1 3.27Å; A77-F250 VanDerWaalsContact O-CZ 3.22Å; A77-F250 WeakPolarHBondContact O-CZ 3.27Å
78	M	88.1	Confident	87.1	Confident	21 Å²	21	43.8 Å²	43.8	10%	0.103	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-20.9	178.9	-69.2	170.9	100.4	0	0	113.5	A25 W28 L29 M58 T74 L75 E76	A25-M78 HydrophobicContact CB-CE 3.8Å; A25-M78 HydrophobicContact CB-SD 4.1Å; A25-M78 WeakPolarHBondContact O-CE 3.26Å; W28-M78 HydrophobicContact CB-CE 3.59Å; W28-M78 HydrophobicContact CD2-CB 4.41Å; W28-M78 HydrophobicContact CD2-CE 3.4Å; W28-M78 HydrophobicContact CD2-CG 4.05Å; W28-M78 HydrophobicContact CE3-CE 3.37Å; W28-M78 HydrophobicContact CE3-CG 4.35Å; W28-M78 HydrophobicContact CG-CE 3.52Å; W28-M78 HydrophobicContact CG-CG 4.5Å; W28-M78 HydrophobicContact CZ2-CG 4.29Å; W28-M78 HydrophobicContact CZ3-CE 4.27Å; W28-M78 PolarHBondContact NE1-O 2.86Å; W28-M78 VanDerWaalsContact NE1-O 3.1Å; L29-M78 HydrophobicContact CG-CE 4.23Å; M58-M78 HydrophobicContact CE-CE 3.98Å; M58-M78 HydrophobicContact CE-CG 3.67Å; M58-M78 HydrophobicContact CE-SD 3.66Å; T74-M78 HydrophobicContact CG2-SD 4Å; T74-M78 WeakPolarHBondContact O-CB 3.29Å; T74-M78 WeakPolarHBondContact O-CG 3.44Å; T74-M78 PolarHBondContact O-N 3.02Å; L75-M78 PolarHBondContact O-N 2.67Å; E76-M78 PolarHBondContact O-N 3.07Å
79	S	87.5	Confident	86.1	Confident	87 Å²	87	45.9 Å²	45.9	61%	0.608	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.9	173.9	68	0	0	0	0	114.6	L75 E76 A77	L75-S79 PolarHBondContact O-N 3.22Å; E76-S79 PolarHBondContact O-N 2.97Å; E76-S79 PolarHBondContact O-OG 3.02Å; A77-S79 PolarHBondContact O-N 2.97Å
80	R	87	Confident	84.4	Confident	69 Å²	69	44.5 Å²	44.5	26%	0.26	25%	0.254	S	S	.	.	S	Bend	trans	-70.9	141.8	179.2	-69.9	171.1	62.4	-171	-2.9	110.6	E76 A77 F250	E76-R80 PolarHBondContact O-N 2.87Å; A77-R80 WeakPolarHBondContact O-CB 3.32Å; A77-R80 PolarHBondContact O-N 3.16Å; A77-R80 VanDerWaalsContact O-N 3.07Å; R80-F250 HydrophobicContact CB-CD1 3.81Å; R80-F250 HydrophobicContact CB-CE1 4.13Å; R80-F250 HydrophobicContact CB-CG 4.36Å
81	P	90.5	Very high	82.2	Confident	45 Å²	45	46.9 Å²	46.9	29%	0.292	27%	0.272	S	S	.	.			trans	-59	139.5	172.8	-17.4	28	0	0	0	111.2	G187 L189 Y251	P81-G187 WeakPolarHBondContact CA-O 3.21Å; P81-L189 HydrophobicContact CB-CD1 4.13Å; P81-L189 HydrophobicContact CB-CD2 3.7Å; P81-L189 HydrophobicContact CB-CG 4.02Å; P81-Y251 WeakPolarHBondContact O-CB 3.36Å; P81-Y251 PolarHBondContact O-N 2.97Å
82	R	92.8	Very high	80.5	Confident	2 Å²	2	49 Å²	49	1%	0.008	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-149	172.7	-175.1	58.6	165.3	-70.6	169.5	12	113.6	Y32 Y62 V85 D87 G187 F188 L189 H239 P249 F250	Y32-R82 VanDerWaalsContact CD1-NH2 3.31Å; Y32-R82 VanDerWaalsContact CG-CZ 3.47Å; Y32-R82 VanDerWaalsContact CZ-CD 3.47Å; Y32-R82 WeakPolarHBondContact OH-CD 3.19Å; Y62-R82 VanDerWaalsContact OH-CZ 3.31Å; Y62-R82 PolarHBondContact OH-NH1 3.05Å; R82-V85 PolarHBondContact NH2-O 3.45Å; R82-V85 VanDerWaalsContact NH2-O 3.11Å; R82-D87 IonicContact CZ-OD1 3.81Å; R82-D87 IonicContact CZ-OD2 2.74Å; R82-D87 IonicContact NH1-OD1 3.53Å; R82-D87 IonicContact NH1-OD2 3.18Å; R82-D87 PolarHBondContact NH1-OD2 3.47Å; R82-D87 IonicContact NH2-OD1 3.26Å; R82-D87 PolarHBondContact NH2-OD1 2.94Å; R82-D87 IonicContact NH2-OD2 2.96Å; R82-G187 PolarHBondContact N-O 3.35Å; R82-G187 VanDerWaalsContact N-O 3.08Å; R82-F188 HydrophobicContact CG-CB 4.49Å; R82-F188 CarbonylContact O-C 3.53Å; R82-F188 WeakPolarHBondContact O-CA 3.48Å; R82-L189 PolarHBondContact O-N 3.33Å; R82-H239 PolarHBondContact NH2-CE1 2.84Å; R82-P249 CarbonylContact C-O 2.94Å; R82-P249 WeakPolarHBondContact CA-O 3.44Å; R82-P249 WeakPolarHBondContact CB-O 3.39Å; R82-F250 HydrophobicContact CB-CD1 3.9Å; R82-F250 HydrophobicContact CB-CE1 4.45Å
83	C	93.9	Very high	78.6	Confident	4 Å²	4	47 Å²	47	3%	0.027	27%	0.265	C	S	.	.			trans	-71.9	144.9	164.7	175.5	0	0	0	0	111.2	V85 H229 E230 H239 P249	C83-V85 VanDerWaalsContact C-N 3.32Å; C83-V85 VanDerWaalsContact SG-CG2 3.56Å; C83-V85 PolarHBondContact SG-N 3.36Å; C83-V85 VanDerWaalsContact SG-N 3.36Å; C83-H229 WeakPolarHBondContact CB-NE2 3.5Å; C83-E230 WeakPolarHBondContact CB-OE1 3.2Å; C83-E230 PolarHBondContact SG-OE1 2.63Å; C83-E230 PolarHBondContact SG-OE2 3.42Å; C83-H239 WeakPolarHBondContact CB-NE2 3.27Å; C83-P249 PolarHBondContact N-O 3.05Å
84	G	89.8	Confident	76.3	Confident	11 Å²	11	51.4 Å²	51.4	11%	0.113	28%	0.28	C	S	.	.	S	Bend	trans	-76.6	-15.2	-179.6	0	0	0	0	0	114.7	A190	G84-A190 PolarHBondContact N-O 3.25Å
85	V	88.8	Confident	73.9	Confident	8 Å²	8	54.9 Å²	54.9	5%	0.048	30%	0.302	C	S	.	.	S	Bend	trans	-65	135.8	180	175.9	0	0	0	0	110.1	R82 C83 F89 H191 A192 F194 H239	R82-V85 PolarHBondContact NH2-O 3.45Å; R82-V85 VanDerWaalsContact NH2-O 3.11Å; C83-V85 VanDerWaalsContact C-N 3.32Å; C83-V85 VanDerWaalsContact SG-CG2 3.56Å; C83-V85 PolarHBondContact SG-N 3.36Å; C83-V85 VanDerWaalsContact SG-N 3.36Å; V85-F89 HydrophobicContact CG1-CE1 4.27Å; V85-F89 HydrophobicContact CG1-CZ 3.57Å; V85-H191 HydrophobicContact CG2-CB 4.07Å; V85-A192 WeakPolarHBondContact CG2-O 3.09Å; V85-F194 HydrophobicContact CG1-CE2 4.4Å; V85-F194 HydrophobicContact CG1-CZ 4.39Å; V85-H239 PolarHBondContact O-CE1 3Å
86	P	85.1	Confident	71.4	Confident	43 Å²	43	60.8 Å²	60.8	28%	0.279	33%	0.333	S	S	.	.			trans	-60.9	145.8	175.9	-25.6	35.1	0	0	0	112.9	K88 F89	P86-K88 VanDerWaalsContact C-N 3.32Å; P86-F89 HydrophobicContact CB-CE1 4.25Å; P86-F89 HydrophobicContact CG-CE1 4.4Å; P86-F89 WeakPolarHBondContact O-CE2 3.38Å; P86-F89 WeakPolarHBondContact O-CZ 3.45Å
87	D	85.8	Confident	69.1	Low	8 Å²	8	60.7 Å²	60.7	4%	0.043	34%	0.336	C	S	.	.	S	Bend	trans	-78.4	-23.3	178.9	-53.2	-39	0	0	0	112.3	Y32 Y34 F61 Y62 R82 H239 P249	Y32-D87 PolarHBondContact O-N 3.07Å; Y34-D87 HydrophobicContact CE2-CB 4.18Å; Y34-D87 WeakPolarHBondContact CE2-OD2 3.39Å; Y34-D87 VanDerWaalsContact CZ-OD2 3.28Å; Y34-D87 WeakPolarHBondContact OH-CB 3.38Å; Y34-D87 PolarHBondContact OH-OD2 3.29Å; F61-D87 HydrophobicContact CD1-CB 4.13Å; F61-D87 HydrophobicContact CE1-CB 3.72Å; F61-D87 HydrophobicContact CZ-CB 4.04Å; Y62-D87 PolarHBondContact OH-OD1 3.05Å; Y62-D87 PolarHBondContact OH-OD2 3.27Å; R82-D87 IonicContact CZ-OD1 3.81Å; R82-D87 IonicContact CZ-OD2 2.74Å; R82-D87 IonicContact NH1-OD1 3.53Å; R82-D87 IonicContact NH1-OD2 3.18Å; R82-D87 PolarHBondContact NH1-OD2 3.47Å; R82-D87 IonicContact NH2-OD1 3.26Å; R82-D87 PolarHBondContact NH2-OD1 2.94Å; R82-D87 IonicContact NH2-OD2 2.96Å; D87-H239 IonicContact OD1-CE1 2.7Å; D87-H239 IonicContact OD1-CG 2.88Å; D87-H239 IonicContact OD1-ND1 2.59Å; D87-H239 PolarHBondContact OD1-ND1 2.78Å; D87-P249 WeakPolarHBondContact OD1-CG 3.31Å
88	K	73.3	Confident	66.8	Low	54 Å²	54	71.5 Å²	71.5	24%	0.235	38%	0.376	C	S	.	.	S	Bend	trans	-129.4	131.7	-178.2	-64.7	-172.8	175.2	-168.1	0	110.6	Y34 P86	Y34-K88 HydrophobicContact CD1-CD 4.12Å; Y34-K88 HydrophobicContact CE1-CD 4.21Å; P86-K88 VanDerWaalsContact C-N 3.32Å
89	F	65.4	Low	64.9	Low	48 Å²	48	76.8 Å²	76.8	21%	0.211	40%	0.395	C	S	.	.			trans	-109	131.5	179.7	-60.4	-81.4	0	0	0	111.7	V85 P86 P91 E92 F194 E238	V85-F89 HydrophobicContact CG1-CE1 4.27Å; V85-F89 HydrophobicContact CG1-CZ 3.57Å; P86-F89 HydrophobicContact CB-CE1 4.25Å; P86-F89 HydrophobicContact CG-CE1 4.4Å; P86-F89 WeakPolarHBondContact O-CE2 3.38Å; P86-F89 WeakPolarHBondContact O-CZ 3.45Å; F89-P91 WeakPolarHBondContact O-CD 3.49Å; F89-E92 PolarHBondContact O-N 3.31Å; F89-F194 HydrophobicContact CD1-CE2 4.45Å; F89-F194 AromaticContact CE1-CE2 3.62Å; F89-F194 HydrophobicContact CE1-CE2 3.62Å; F89-F194 HydrophobicContact CE1-CZ 4.22Å; F89-F194 HydrophobicContact CE2-CE2 4.06Å; F89-F194 AromaticContact CE2-CZ 3.81Å; F89-F194 HydrophobicContact CE2-CZ 3.81Å; F89-F194 AromaticContact CZ-CE2 3.39Å; F89-F194 HydrophobicContact CZ-CE2 3.39Å; F89-F194 AromaticContact CZ-CZ 3.52Å; F89-F194 HydrophobicContact CZ-CZ 3.52Å; F89-E238 HydrophobicContact CD2-CG 4.22Å; F89-E238 HydrophobicContact CE2-CB 4.33Å; F89-E238 HydrophobicContact CE2-CG 3.91Å
90	G	52.2	Low	63.1	Low	50 Å²	50	77.6 Å²	77.6	52%	0.515	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	30	-92.8	166.1	0	0	0	0	0	117.7	E92 L93	G90-E92 PolarHBondContact O-N 2.64Å; G90-E92 VanDerWaalsContact O-N 3.1Å; G90-L93 WeakPolarHBondContact O-CB 3.17Å; G90-L93 PolarHBondContact O-N 2.96Å
91	P	41.5	Very low	60.9	Low	92 Å²	92	82.1 Å²	82.1	60%	0.597	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-58.5	-24.2	-171.3	-21.1	31.6	0	0	0	115.1	F89 L93 K94 T95	F89-P91 WeakPolarHBondContact O-CD 3.49Å; P91-L93 VanDerWaalsContact C-N 3.25Å; P91-L93 PolarHBondContact O-N 3.41Å; P91-K94 PolarHBondContact O-N 2.85Å; P91-K94 VanDerWaalsContact O-N 3.15Å; P91-T95 PolarHBondContact O-N 3.08Å; P91-T95 PolarHBondContact O-OG1 2.67Å; P91-T95 VanDerWaalsContact O-OG1 3.13Å
92	E	49.9	Very low	58.9	Low	86 Å²	86	82.3 Å²	82.3	40%	0.402	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-71.1	-18.5	178.2	-62	-167	160.9	0	0	113.3	F89 G90 K94	F89-E92 PolarHBondContact O-N 3.31Å; G90-E92 PolarHBondContact O-N 2.64Å; G90-E92 VanDerWaalsContact O-N 3.1Å; E92-K94 VanDerWaalsContact C-N 3.28Å
93	L	46.6	Very low	57.1	Low	73 Å²	73	83 Å²	83	38%	0.382	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-75.3	-15.2	171.2	-80.9	119.4	0	0	0	113	P36 G90 P91	P36-L93 HydrophobicContact CB-CD2 4.46Å; G90-L93 WeakPolarHBondContact O-CB 3.17Å; G90-L93 PolarHBondContact O-N 2.96Å; P91-L93 VanDerWaalsContact C-N 3.25Å; P91-L93 PolarHBondContact O-N 3.41Å
94	K	37.3	Very low	55.3	Low	187 Å²	187	86.8 Å²	86.8	81%	0.813	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-13.1	-171.4	-70	-168.9	177.7	-178.3	0	115.3	P91 E92	P91-K94 PolarHBondContact O-N 2.85Å; P91-K94 VanDerWaalsContact O-N 3.15Å; E92-K94 VanDerWaalsContact C-N 3.28Å
95	T	35.7	Very low	53.8	Low	75 Å²	75	89.1 Å²	89.1	46%	0.46	43%	0.428	S	S	.	.			trans	-150	139.9	-171.9	49.9	0	0	0	0	113.5	P91 L97	P91-T95 PolarHBondContact O-N 3.08Å; P91-T95 PolarHBondContact O-OG1 2.67Å; P91-T95 VanDerWaalsContact O-OG1 3.13Å; T95-L97 PolarHBondContact O-N 3.05Å; T95-L97 WeakPolarHBondContact OG1-CD1 3.23Å; T95-L97 VanDerWaalsContact OG1-CG 3.28Å; T95-L97 WeakPolarHBondContact OG1-CG 3.37Å
96	N	35.3	Very low	52.7	Low	182 Å²	182	92 Å²	92	97%	0.973	46%	0.458	S	S	*	.			trans	-66.4	57.1	165.3	-72.5	-43.8	0	0	0	110.8
97	L	39	Very low	52.3	Low	125 Å²	125	93.9 Å²	93.9	65%	0.654	47%	0.466	S	S	*	.			trans	-78.6	143.5	174.3	-74.3	170.2	0	0	0	109.8	T95 R99	T95-L97 PolarHBondContact O-N 3.05Å; T95-L97 WeakPolarHBondContact OG1-CD1 3.23Å; T95-L97 VanDerWaalsContact OG1-CG 3.28Å; T95-L97 WeakPolarHBondContact OG1-CG 3.37Å; L97-R99 PolarHBondContact O-N 3Å; L97-R99 VanDerWaalsContact O-N 3.09Å
98	R	37.3	Very low	52.4	Low	231 Å²	231	98.4 Å²	98.4	87%	0.872	49%	0.485	S	S	*	.			trans	-50.4	113.7	178.3	-178	-178.4	-177.6	-176	1.6	110.2	K100	R98-K100 PolarHBondContact O-N 3.32Å
99	R	48.1	Very low	53.2	Low	132 Å²	132	96.8 Å²	96.8	50%	0.498	48%	0.478	S	S	.	.			trans	-47.8	124.7	173.9	-115.6	176.1	172.6	-148.9	-11.5	109.6	L97 D241	L97-R99 PolarHBondContact O-N 3Å; L97-R99 VanDerWaalsContact O-N 3.09Å; R99-D241 IonicContact CZ-OD2 3.11Å; R99-D241 IonicContact NH1-OD2 3.46Å; R99-D241 PolarHBondContact NH1-OD2 2.89Å; R99-D241 IonicContact NH2-OD2 2.69Å; R99-D241 PolarHBondContact NH2-OD2 2.71Å
100	K	49.8	Very low	54.3	Low	105 Å²	105	101.2 Å²	101.2	46%	0.457	50%	0.504	S	S	.	.			trans	-65.4	138.9	173.5	-66.8	175.7	-176.4	163.3	0	107.8	R98 Y102 R104	R98-K100 PolarHBondContact O-N 3.32Å; K100-Y102 WeakPolarHBondContact CB-O 3.27Å; K100-Y102 PolarHBondContact O-N 3.05Å; K100-R104 VanDerWaalsContact CD-O 3.26Å; K100-R104 WeakPolarHBondContact CD-O 3.48Å; K100-R104 WeakPolarHBondContact CE-O 3.37Å; K100-R104 PolarHBondContact NZ-O 3.08Å
101	R	41	Very low	56.2	Low	163 Å²	163	102 Å²	102	62%	0.615	49%	0.493	S	S	*	.	S	Bend	trans	-64.7	-23.2	-179.7	-176.9	-179.7	-67.7	165.2	-1.8	112.9
102	Y	48.7	Very low	58.5	Low	50 Å²	50	102 Å²	102	20%	0.196	50%	0.495	C	S	.	.	S	Bend	trans	-133.1	145.9	176.7	-54.2	-66.4	0	0	0	107.8	K100 R104 R267 A271	K100-Y102 WeakPolarHBondContact CB-O 3.27Å; K100-Y102 PolarHBondContact O-N 3.05Å; Y102-R104 PolarHBondContact O-N 3.08Å; Y102-R267 HydrophobicContact CE1-CB 3.81Å; Y102-A271 HydrophobicContact CD2-CB 4.07Å; Y102-A271 HydrophobicContact CE2-CB 4.3Å
103	A	55.1	Low	60.7	Low	17 Å²	17	101.3 Å²	101.3	14%	0.14	49%	0.492	C	S	.	.			trans	-63.3	94.5	174.8	0	0	0	0	0	108.8	L237 E238 H239	A103-L237 CarbonylContact O-C 3.55Å; A103-L237 WeakPolarHBondContact O-CA 3.39Å; A103-E238 VanDerWaalsContact C-N 3.33Å; A103-E238 HydrophobicContact CB-CB 3.64Å; A103-E238 WeakPolarHBondContact CB-O 3.49Å; A103-E238 PolarHBondContact O-N 2.84Å; A103-H239 WeakPolarHBondContact CB-O 3Å
104	R	56.4	Low	63	Low	83 Å²	83	97.8 Å²	97.8	31%	0.313	47%	0.474	S	S	.	.	B	Isolated β-bridge	trans	-142.3	112.7	-171.6	-69.4	-171.7	-60	172.5	3.5	109	K100 Y102 G106 E238 A271 I272	K100-R104 VanDerWaalsContact CD-O 3.26Å; K100-R104 WeakPolarHBondContact CD-O 3.48Å; K100-R104 WeakPolarHBondContact CE-O 3.37Å; K100-R104 PolarHBondContact NZ-O 3.08Å; Y102-R104 PolarHBondContact O-N 3.08Å; R104-G106 VanDerWaalsContact C-N 3.31Å; R104-G106 PolarHBondContact O-N 2.72Å; R104-E238 VanDerWaalsContact C-CD 3.42Å; R104-E238 PolarHBondContact N-OE2 3.12Å; R104-A271 PolarHBondContact NH1-O 2.98Å; R104-A271 VanDerWaalsContact NH1-O 3.16Å; R104-I272 HydrophobicContact CG-CD1 4.16Å; R104-I272 HydrophobicContact CG-CG1 4.09Å
105	Q	57.8	Low	65.8	Low	60 Å²	60	89.5 Å²	89.5	28%	0.28	44%	0.438	S	S	.	.			trans	-74.5	-27.6	-177	-171.7	-99	6.8	0	0	111.8	L107 F194 G236 E238	Q105-L107 VanDerWaalsContact OE1-N 3.17Å; Q105-F194 HydrophobicContact CB-CD1 3.79Å; Q105-F194 HydrophobicContact CB-CE1 3.61Å; Q105-F194 HydrophobicContact CB-CE2 4.48Å; Q105-F194 HydrophobicContact CB-CG 4.27Å; Q105-F194 HydrophobicContact CB-CZ 4Å; Q105-F194 HydrophobicContact CG-CD1 4.13Å; Q105-F194 HydrophobicContact CG-CD2 4.08Å; Q105-F194 HydrophobicContact CG-CE1 4.1Å; Q105-F194 HydrophobicContact CG-CE2 4.09Å; Q105-F194 HydrophobicContact CG-CG 4.1Å; Q105-F194 HydrophobicContact CG-CZ 4.09Å; Q105-G236 PolarHBondContact N-O 2.72Å; Q105-E238 WeakPolarHBondContact CA-OE1 3.37Å; Q105-E238 HydrophobicContact CB-CG 3.68Å; Q105-E238 WeakPolarHBondContact CB-OE1 3.42Å; Q105-E238 PolarHBondContact N-OE1 2.96Å
106	G	66.3	Low	68.8	Low	67 Å²	67	86.2 Å²	86.2	69%	0.691	42%	0.418	S	S	*	.	S	Bend	trans	105.8	-9.9	175.4	0	0	0	0	0	113.3	R104	R104-G106 VanDerWaalsContact C-N 3.31Å; R104-G106 PolarHBondContact O-N 2.72Å
107	L	75.6	Confident	71.6	Confident	84 Å²	84	77.6 Å²	77.6	44%	0.44	37%	0.372	S	S	.	.			trans	-82.6	142.2	165.9	-59.4	173.4	0	0	0	110.2	Q105 F194 P195	Q105-L107 VanDerWaalsContact OE1-N 3.17Å; L107-F194 HydrophobicContact CD1-CB 4.1Å; L107-P195 HydrophobicContact CB-CB 4.37Å; L107-P195 WeakPolarHBondContact CB-O 3.33Å; L107-P195 WeakPolarHBondContact CD1-O 3.3Å
108	K	87.8	Confident	74.4	Confident	103 Å²	103	72.3 Å²	72.3	45%	0.448	34%	0.344	S	S	.	.			trans	-149.7	162.1	177.7	69.5	172.2	-170.6	168.7	0	109.7	D110 I272 Y273	K108-D110 WeakPolarHBondContact CE-OD1 3.33Å; K108-D110 IonicContact NZ-OD1 3.76Å; K108-D110 PolarHBondContact O-N 2.8Å; K108-I272 HydrophobicContact CB-CG2 3.51Å; K108-I272 HydrophobicContact CD-CG2 4.18Å; K108-I272 HydrophobicContact CG-CG2 4.48Å; K108-Y273 HydrophobicContact CB-CE1 4.03Å
109	W	90.6	Very high	76.9	Confident	19 Å²	19	65.6 Å²	65.6	7%	0.072	32%	0.322	C	S	.	.			trans	-75.6	119.5	169.5	-66	111.6	0	0	0	111.1	K111 V114 D166 I167 P195 G196 G200 A234 Y273	W109-K111 HydrophobicContact CB-CG 4.21Å; W109-K111 PolarHBondContact O-N 3.03Å; W109-K111 VanDerWaalsContact O-N 3.14Å; W109-V114 HydrophobicContact CB-CG2 4.01Å; W109-V114 HydrophobicContact CD2-CG2 4.49Å; W109-V114 HydrophobicContact CG-CG2 3.89Å; W109-D166 HydrophobicContact CH2-CB 3.94Å; W109-D166 VanDerWaalsContact CH2-O 3.28Å; W109-D166 WeakPolarHBondContact CH2-O 3.42Å; W109-D166 HydrophobicContact CZ2-CB 4.25Å; W109-D166 WeakPolarHBondContact CZ2-O 3.44Å; W109-D166 HydrophobicContact CZ3-CB 4.27Å; W109-I167 HydrophobicContact CZ2-CG1 4.13Å; W109-P195 HydrophobicContact CD2-CB 3.95Å; W109-P195 HydrophobicContact CE3-CB 4.46Å; W109-P195 HydrophobicContact CG-CB 4.18Å; W109-P195 HydrophobicContact CZ2-CB 4.28Å; W109-G196 WeakPolarHBondContact CH2-O 3.49Å; W109-G196 WeakPolarHBondContact CZ3-O 3.34Å; W109-G200 VanDerWaalsContact CH2-O 3.26Å; W109-G200 WeakPolarHBondContact CH2-O 3.47Å; W109-A234 PolarHBondContact NE1-O 3.49Å; W109-Y273 HydrophobicContact CB-CE1 4.23Å; W109-Y273 PolarHBondContact N-OH 3.2Å; W109-Y273 VanDerWaalsContact N-OH 3.07Å
110	D	89.3	Confident	79.1	Confident	142 Å²	142	62.1 Å²	62.1	76%	0.759	31%	0.314	S	S	*	.	S	Bend	trans	-86.7	45.7	174.9	-69.8	-39.9	0	0	0	112	K108	K108-D110 WeakPolarHBondContact CE-OD1 3.33Å; K108-D110 IonicContact NZ-OD1 3.76Å; K108-D110 PolarHBondContact O-N 2.8Å
111	K	90.8	Very high	81.2	Confident	65 Å²	65	61.8 Å²	61.8	28%	0.283	31%	0.31	S	S	.	.	S	Bend	trans	-150	156.4	179.5	58.9	-168.6	175.5	-141	0	110.3	W109 E113 V114 L147 D166	W109-K111 HydrophobicContact CB-CG 4.21Å; W109-K111 PolarHBondContact O-N 3.03Å; W109-K111 VanDerWaalsContact O-N 3.14Å; K111-E113 VanDerWaalsContact CD-O 3.24Å; K111-E113 WeakPolarHBondContact CD-O 3.45Å; K111-E113 WeakPolarHBondContact CG-O 3.46Å; K111-V114 HydrophobicContact CG-CG2 4.2Å; K111-L147 WeakPolarHBondContact O-CD2 3.01Å; K111-D166 VanDerWaalsContact CE-CG 3.44Å; K111-D166 VanDerWaalsContact CE-OD2 3.24Å; K111-D166 WeakPolarHBondContact CE-OD2 3.32Å; K111-D166 IonicContact NZ-OD1 2.66Å; K111-D166 PolarHBondContact NZ-OD1 3.21Å; K111-D166 IonicContact NZ-OD2 3.36Å; K111-D166 PolarHBondContact NZ-OD2 3.46Å; K111-D166 VanDerWaalsContact NZ-OD2 3.15Å
112	S	90.2	Very high	83.7	Confident	92 Å²	92	54 Å²	54	64%	0.643	28%	0.281	S	S	*	.	S	Bend	trans	-85.9	-24.9	178.4	55.2	0	0	0	0	113.3	L147 T148	S112-L147 WeakPolarHBondContact O-CA 3.47Å; S112-T148 PolarHBondContact O-N 3.29Å; S112-T148 PolarHBondContact O-OG1 2.87Å
113	E	95.9	Very high	85.9	Confident	72 Å²	72	56.5 Å²	56.5	34%	0.336	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.2	178.8	-173.4	-174.1	54	0	0	109.2	K111 T148 R150	K111-E113 VanDerWaalsContact CD-O 3.24Å; K111-E113 WeakPolarHBondContact CD-O 3.45Å; K111-E113 WeakPolarHBondContact CG-O 3.46Å; E113-T148 WeakPolarHBondContact CA-O 3.26Å; E113-R150 HydrophobicContact CG-CB 4.33Å; E113-R150 IonicContact OE1-CZ 3.83Å; E113-R150 IonicContact OE1-NH1 2.61Å; E113-R150 PolarHBondContact OE1-NH1 3.32Å; E113-R150 IonicContact OE1-NH2 3.73Å; E113-R150 PolarHBondContact OE1-NH2 2.74Å; E113-R150 IonicContact OE2-CZ 2.81Å; E113-R150 IonicContact OE2-NE 3.9Å; E113-R150 IonicContact OE2-NH1 2.9Å; E113-R150 PolarHBondContact OE2-NH1 3.26Å
114	V	96.1	Very high	87.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.4	176.6	-177.2	0	0	0	0	108.2	W109 K111 L147 T148 F149 R150 D166 I167	W109-V114 HydrophobicContact CB-CG2 4.01Å; W109-V114 HydrophobicContact CD2-CG2 4.49Å; W109-V114 HydrophobicContact CG-CG2 3.89Å; K111-V114 HydrophobicContact CG-CG2 4.2Å; V114-L147 HydrophobicContact CG2-CD1 4.08Å; V114-T148 PolarHBondContact N-O 3.07Å; V114-F149 HydrophobicContact CB-CD1 3.91Å; V114-F149 HydrophobicContact CB-CE1 3.98Å; V114-F149 HydrophobicContact CG1-CD1 4.35Å; V114-F149 HydrophobicContact CG1-CE1 4.34Å; V114-F149 HydrophobicContact CG2-CE1 4.44Å; V114-F149 VanDerWaalsContact O-CA 3.3Å; V114-F149 WeakPolarHBondContact O-CA 3.29Å; V114-R150 PolarHBondContact O-N 3.25Å; V114-D166 HydrophobicContact CG1-CB 3.76Å; V114-I167 HydrophobicContact CG1-CD1 3.85Å; V114-I167 HydrophobicContact CG1-CG1 4.16Å
115	T	95.8	Very high	89.4	Confident	12 Å²	12	58.4 Å²	58.4	7%	0.074	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	143.5	178.2	58.9	0	0	0	0	110.9	R150 I152 D166 I167	T115-R150 CarbonylContact C-O 3.47Å; T115-R150 VanDerWaalsContact CA-O 3.23Å; T115-R150 WeakPolarHBondContact CA-O 3.35Å; T115-R150 HydrophobicContact CG2-CB 4.47Å; T115-R150 VanDerWaalsContact CG2-NH2 3.27Å; T115-I152 HydrophobicContact CG2-CD1 3.86Å; T115-I152 HydrophobicContact CG2-CG1 4.38Å; T115-D166 PolarHBondContact N-OD2 2.88Å; T115-D166 WeakPolarHBondContact O-CA 3.09Å; T115-D166 VanDerWaalsContact O-CB 3.29Å; T115-D166 WeakPolarHBondContact O-CB 3.27Å; T115-D166 PolarHBondContact O-N 3.11Å; T115-D166 PolarHBondContact OG1-N 2.91Å; T115-D166 PolarHBondContact OG1-OD2 3.47Å; T115-I167 PolarHBondContact O-N 2.87Å
116	F	97.3	Very high	91.2	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	156.7	173.6	73.9	-87.4	0	0	0	111.3	I118 R135 F138 F149 R150 E151 I152 I167 L169	F116-I118 HydrophobicContact CD2-CG1 4.32Å; F116-I118 HydrophobicContact CE2-CD1 4.27Å; F116-I118 HydrophobicContact CE2-CG1 4.23Å; F116-R135 HydrophobicContact CZ-CG 4.5Å; F116-F138 HydrophobicContact CB-CE1 4.1Å; F116-F138 HydrophobicContact CB-CE2 3.9Å; F116-F138 HydrophobicContact CB-CZ 3.43Å; F116-F138 VanDerWaalsContact CB-CZ 3.43Å; F116-F138 HydrophobicContact CD1-CD1 4.21Å; F116-F138 AromaticContact CD1-CD2 3.98Å; F116-F138 HydrophobicContact CD1-CD2 3.98Å; F116-F138 HydrophobicContact CD1-CE1 4.01Å; F116-F138 AromaticContact CD1-CE2 3.79Å; F116-F138 HydrophobicContact CD1-CE2 3.79Å; F116-F138 HydrophobicContact CD1-CG 4.19Å; F116-F138 AromaticContact CD1-CZ 3.79Å; F116-F138 HydrophobicContact CD1-CZ 3.79Å; F116-F138 AromaticContact CD2-CD2 3.94Å; F116-F138 HydrophobicContact CD2-CD2 3.94Å; F116-F138 AromaticContact CD2-CE2 3.33Å; F116-F138 HydrophobicContact CD2-CE2 3.33Å; F116-F138 AromaticContact CD2-CZ 3.84Å; F116-F138 HydrophobicContact CD2-CZ 3.84Å; F116-F138 HydrophobicContact CE1-CD1 4.47Å; F116-F138 AromaticContact CE1-CD2 3.84Å; F116-F138 HydrophobicContact CE1-CD2 3.84Å; F116-F138 HydrophobicContact CE1-CE2 4.09Å; F116-F138 HydrophobicContact CE1-CG 4.04Å; F116-F138 HydrophobicContact CE1-CZ 4.48Å; F116-F138 AromaticContact CE2-CD2 3.8Å; F116-F138 HydrophobicContact CE2-CD2 3.8Å; F116-F138 AromaticContact CE2-CE2 3.67Å; F116-F138 HydrophobicContact CE2-CE2 3.67Å; F116-F138 HydrophobicContact CG-CD2 4.02Å; F116-F138 HydrophobicContact CG-CE1 4.08Å; F116-F138 AromaticContact CG-CE2 3.39Å; F116-F138 HydrophobicContact CG-CE2 3.39Å; F116-F138 AromaticContact CG-CZ 3.41Å; F116-F138 HydrophobicContact CG-CZ 3.41Å; F116-F138 VanDerWaalsContact CG-CZ 3.41Å; F116-F138 AromaticContact CZ-CD2 3.74Å; F116-F138 HydrophobicContact CZ-CD2 3.74Å; F116-F138 HydrophobicContact CZ-CE2 4.03Å; F116-F138 HydrophobicContact CZ-CG 4.33Å; F116-F149 HydrophobicContact CD1-CB 4.13Å; F116-F149 HydrophobicContact CE1-CB 4.1Å; F116-R150 PolarHBondContact N-O 2.96Å; F116-E151 HydrophobicContact CD1-CB 4.46Å; F116-E151 HydrophobicContact CD2-CB 4.49Å; F116-E151 HydrophobicContact CD2-CG 4.22Å; F116-E151 HydrophobicContact CE1-CB 3.8Å; F116-E151 HydrophobicContact CE1-CG 4.48Å; F116-E151 HydrophobicContact CE2-CB 3.83Å; F116-E151 HydrophobicContact CE2-CG 3.59Å; F116-E151 HydrophobicContact CZ-CB 3.45Å; F116-E151 VanDerWaalsContact CZ-CB 3.45Å; F116-E151 HydrophobicContact CZ-CG 3.76Å; F116-E151 CarbonylContact O-C 3.49Å; F116-E151 WeakPolarHBondContact O-CA 3.46Å; F116-I152 PolarHBondContact O-N 2.79Å; F116-I167 CarbonylContact C-O 3.59Å; F116-I167 WeakPolarHBondContact CA-O 3.37Å; F116-I167 HydrophobicContact CB-CB 4.03Å; F116-I167 HydrophobicContact CB-CG2 4.41Å; F116-I167 WeakPolarHBondContact CB-O 3.13Å; F116-L169 HydrophobicContact CB-CD1 4.14Å; F116-L169 HydrophobicContact CD2-CD1 3.92Å; F116-L169 HydrophobicContact CG-CD1 4.46Å
117	S	95.6	Very high	92.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	135.4	175	167.8	0	0	0	0	110.4	I152 F154 I157 I167 M168 L169	S117-I152 WeakPolarHBondContact CB-O 3.33Å; S117-I152 PolarHBondContact OG-O 3.27Å; S117-F154 WeakPolarHBondContact OG-CA 3.3Å; S117-I157 WeakPolarHBondContact OG-CD1 3.31Å; S117-I167 PolarHBondContact N-O 2.9Å; S117-M168 VanDerWaalsContact CB-SD 3.57Å; S117-L169 PolarHBondContact O-N 2.94Å
118	I	96.5	Very high	93.6	Very high	14 Å²	14	63.7 Å²	63.7	7%	0.072	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	109.3	178.1	-55	172.1	0	0	0	107.6	F116 N120 Q131 I134 F154 L169	F116-I118 HydrophobicContact CD2-CG1 4.32Å; F116-I118 HydrophobicContact CE2-CD1 4.27Å; F116-I118 HydrophobicContact CE2-CG1 4.23Å; I118-N120 VanDerWaalsContact CG2-O 3.27Å; I118-N120 WeakPolarHBondContact CG2-O 3.05Å; I118-Q131 HydrophobicContact CD1-CB 4.23Å; I118-Q131 HydrophobicContact CD1-CG 4.08Å; I118-Q131 HydrophobicContact CG2-CG 4.47Å; I118-I134 HydrophobicContact CD1-CB 3.96Å; I118-I134 HydrophobicContact CD1-CD1 4.15Å; I118-I134 HydrophobicContact CD1-CG2 3.73Å; I118-I134 HydrophobicContact CG1-CD1 4.3Å; I118-I134 HydrophobicContact CG1-CG2 4.03Å; I118-I134 HydrophobicContact CG2-CD1 4.1Å; I118-F154 WeakPolarHBondContact O-CB 3.43Å; I118-L169 HydrophobicContact CG1-CD1 4.33Å
119	E	90.8	Very high	93.9	Very high	90 Å²	90	60.2 Å²	60.2	42%	0.421	31%	0.306	S	S	.	.			trans	-72	-46.2	-174.9	171.5	161.7	-171.6	0	0	112.6	F154 M168 L169	E119-F154 HydrophobicContact CB-CD2 4.24Å; E119-F154 HydrophobicContact CB-CE1 4.48Å; E119-F154 HydrophobicContact CB-CE2 4.15Å; E119-F154 HydrophobicContact CB-CG 4.44Å; E119-F154 HydrophobicContact CB-CZ 4.27Å; E119-F154 HydrophobicContact CG-CD1 4.28Å; E119-F154 HydrophobicContact CG-CD2 4.44Å; E119-F154 HydrophobicContact CG-CE1 3.79Å; E119-F154 HydrophobicContact CG-CE2 3.96Å; E119-F154 HydrophobicContact CG-CZ 3.6Å; E119-F154 WeakPolarHBondContact O-CD1 3.39Å; E119-M168 HydrophobicContact CB-CE 4.08Å; E119-L169 WeakPolarHBondContact CB-O 3.45Å; E119-L169 PolarHBondContact N-O 3.08Å
120	N	93.3	Very high	94.2	Very high	59 Å²	59	59.3 Å²	59.3	32%	0.316	30%	0.303	S	S	.	.			trans	-150	-168.9	-178.8	67.1	6.2	0	0	0	110.7	I118 F171	I118-N120 VanDerWaalsContact CG2-O 3.27Å; I118-N120 WeakPolarHBondContact CG2-O 3.05Å; N120-F171 PolarHBondContact ND2-O 3.24Å; N120-F171 WeakPolarHBondContact OD1-CB 3.16Å; N120-F171 PolarHBondContact OD1-N 2.82Å; N120-F171 PolarHBondContact OD1-O 3.37Å
121	Y	95.3	Very high	94.6	Very high	98 Å²	98	54.5 Å²	54.5	38%	0.384	28%	0.276	S	S	.	.			trans	-145.1	163.1	-175.2	63.1	-91	0	0	0	111.8	E127	Y121-E127 HydrophobicContact CD1-CB 3.68Å; Y121-E127 HydrophobicContact CD1-CG 3.65Å; Y121-E127 HydrophobicContact CD2-CB 3.93Å; Y121-E127 HydrophobicContact CE1-CB 3.76Å; Y121-E127 HydrophobicContact CE1-CG 3.93Å; Y121-E127 HydrophobicContact CE2-CB 4.02Å; Y121-E127 HydrophobicContact CG-CB 3.77Å; Y121-E127 HydrophobicContact CG-CG 4.09Å
122	T	93.9	Very high	94.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.283	C	S	.	.			trans	-84.8	124.3	171.7	178	0	0	0	0	111.7	K124 V125 G126 T130 F171 W211 V223	T122-K124 PolarHBondContact O-N 3.16Å; T122-K124 PolarHBondContact OG1-N 2.74Å; T122-V125 HydrophobicContact CG2-CG2 3.61Å; T122-V125 PolarHBondContact O-N 2.67Å; T122-G126 PolarHBondContact O-N 3.1Å; T122-T130 HydrophobicContact CG2-CG2 4.45Å; T122-F171 HydrophobicContact CG2-CD1 4.15Å; T122-F171 HydrophobicContact CG2-CE1 3.81Å; T122-F171 HydrophobicContact CG2-CZ 4.36Å; T122-W211 HydrophobicContact CG2-CB 3.9Å; T122-W211 HydrophobicContact CG2-CG 3.92Å; T122-V223 HydrophobicContact CG2-CG2 4.17Å
123	P	93.4	Very high	95.2	Very high	102 Å²	102	51.3 Å²	51.3	66%	0.662	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.4	179.8	27.4	-34.2	0	0	0	112.9	V125	P123-V125 VanDerWaalsContact C-N 3.28Å; P123-V125 PolarHBondContact O-N 3.29Å
124	K	92.4	Very high	95.3	Very high	108 Å²	108	47.9 Å²	47.9	47%	0.47	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-33.1	-179.7	-71.1	171.7	174.5	145.8	0	113	T122 L207 A208 E209 W211	T122-K124 PolarHBondContact O-N 3.16Å; T122-K124 PolarHBondContact OG1-N 2.74Å; K124-L207 PolarHBondContact NZ-O 3.37Å; K124-A208 PolarHBondContact NZ-O 3.35Å; K124-E209 WeakPolarHBondContact CD-O 3.39Å; K124-E209 WeakPolarHBondContact CE-O 3.25Å; K124-E209 PolarHBondContact NZ-O 3.01Å; K124-W211 HydrophobicContact CB-CB 4.24Å; K124-W211 HydrophobicContact CD-CB 4.38Å
125	V	93.8	Very high	95.4	Very high	32 Å²	32	51.7 Å²	51.7	19%	0.194	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-15.2	177.3	-49.8	0	0	0	0	112.6	T122 P123 A129 T130 W211 T213 V223	T122-V125 HydrophobicContact CG2-CG2 3.61Å; T122-V125 PolarHBondContact O-N 2.67Å; P123-V125 VanDerWaalsContact C-N 3.28Å; P123-V125 PolarHBondContact O-N 3.29Å; V125-A129 HydrophobicContact CB-CB 4.41Å; V125-A129 HydrophobicContact CG2-CB 4.31Å; V125-A129 WeakPolarHBondContact O-CB 3.47Å; V125-T130 WeakPolarHBondContact CG2-OG1 3.36Å; V125-W211 HydrophobicContact CG1-CB 4.13Å; V125-W211 VanDerWaalsContact CG1-O 3.28Å; V125-W211 WeakPolarHBondContact CG1-O 3.37Å; V125-T213 HydrophobicContact CB-CG2 3.97Å; V125-T213 HydrophobicContact CG1-CG2 4.05Å; V125-T213 HydrophobicContact CG2-CG2 3.94Å; V125-V223 HydrophobicContact CG2-CG2 4.3Å
126	G	95.4	Very high	95.4	Very high	24 Å²	24	55 Å²	55	25%	0.247	27%	0.267	C	S	.	.			trans	87.4	163.3	178	0	0	0	0	0	113.7	T122 T130	T122-G126 PolarHBondContact O-N 3.1Å; G126-T130 WeakPolarHBondContact O-CB 3.19Å; G126-T130 PolarHBondContact O-N 3.24Å; G126-T130 VanDerWaalsContact O-N 3.08Å; G126-T130 PolarHBondContact O-OG1 2.93Å
127	E	95.3	Very high	95.5	Very high	101 Å²	101	54.6 Å²	54.6	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-58.7	-53.3	-171.5	-176.7	177.5	-174.5	0	0	113.1	Y121 A129 T130 Q131	Y121-E127 HydrophobicContact CD1-CB 3.68Å; Y121-E127 HydrophobicContact CD1-CG 3.65Å; Y121-E127 HydrophobicContact CD2-CB 3.93Å; Y121-E127 HydrophobicContact CE1-CB 3.76Å; Y121-E127 HydrophobicContact CE1-CG 3.93Å; Y121-E127 HydrophobicContact CE2-CB 4.02Å; Y121-E127 HydrophobicContact CG-CB 3.77Å; Y121-E127 HydrophobicContact CG-CG 4.09Å; E127-A129 PolarHBondContact O-N 3.24Å; E127-T130 PolarHBondContact O-N 3.43Å; E127-Q131 HydrophobicContact CG-CG 4.49Å; E127-Q131 VanDerWaalsContact CG-NE2 3.31Å; E127-Q131 WeakPolarHBondContact O-CG 3.45Å; E127-Q131 PolarHBondContact O-N 3.29Å; E127-Q131 PolarHBondContact OE1-NE2 2.9Å; E127-Q131 VanDerWaalsContact OE1-NE2 3.08Å
128	R	95.8	Very high	95.6	Very high	198 Å²	198	54.8 Å²	54.8	75%	0.747	27%	0.267	S	S	*	.	H	α-helix	trans	-60.3	-49.8	-176.2	-176.4	-178.9	-64	168.7	0.5	111.8	T130 Q131 D132	R128-T130 VanDerWaalsContact C-N 3.31Å; R128-T130 PolarHBondContact O-N 2.98Å; R128-Q131 PolarHBondContact O-N 3.46Å; R128-D132 WeakPolarHBondContact CG-OD2 3.33Å; R128-D132 WeakPolarHBondContact O-CB 3.1Å; R128-D132 PolarHBondContact O-N 3.13Å
129	A	95.3	Very high	95.6	Very high	30 Å²	30	59.8 Å²	59.8	25%	0.248	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-38.7	-178.5	0	0	0	0	0	111.8	V125 E127 A133 T213	V125-A129 HydrophobicContact CB-CB 4.41Å; V125-A129 HydrophobicContact CG2-CB 4.31Å; V125-A129 WeakPolarHBondContact O-CB 3.47Å; E127-A129 PolarHBondContact O-N 3.24Å; A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.35Å; A129-A133 PolarHBondContact O-N 2.7Å; A129-T213 HydrophobicContact CB-CG2 4.32Å
130	T	96.3	Very high	95.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-50.9	174.9	-55.4	0	0	0	0	111.3	T122 V125 G126 E127 R128 D132 A133 I134 F171 V223	T122-T130 HydrophobicContact CG2-CG2 4.45Å; V125-T130 WeakPolarHBondContact CG2-OG1 3.36Å; G126-T130 WeakPolarHBondContact O-CB 3.19Å; G126-T130 PolarHBondContact O-N 3.24Å; G126-T130 VanDerWaalsContact O-N 3.08Å; G126-T130 PolarHBondContact O-OG1 2.93Å; E127-T130 PolarHBondContact O-N 3.43Å; R128-T130 VanDerWaalsContact C-N 3.31Å; R128-T130 PolarHBondContact O-N 2.98Å; T130-D132 PolarHBondContact O-N 2.86Å; T130-A133 PolarHBondContact O-N 2.59Å; T130-I134 HydrophobicContact CG2-CD1 4.06Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 3.13Å; T130-F171 HydrophobicContact CG2-CD2 4.38Å; T130-F171 HydrophobicContact CG2-CE1 4.4Å; T130-F171 HydrophobicContact CG2-CE2 3.4Å; T130-F171 HydrophobicContact CG2-CZ 3.42Å; T130-F171 VanDerWaalsContact CG2-CZ 3.42Å; T130-V223 HydrophobicContact CG2-CG1 4.38Å
131	Q	96.9	Very high	96.1	Very high	40 Å²	40	53.5 Å²	53.5	19%	0.187	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-42.4	-179.3	-70.6	177.8	9	0	0	111.9	I118 E127 R128 A133 I134 R135	I118-Q131 HydrophobicContact CD1-CB 4.23Å; I118-Q131 HydrophobicContact CD1-CG 4.08Å; I118-Q131 HydrophobicContact CG2-CG 4.47Å; E127-Q131 HydrophobicContact CG-CG 4.49Å; E127-Q131 VanDerWaalsContact CG-NE2 3.31Å; E127-Q131 WeakPolarHBondContact O-CG 3.45Å; E127-Q131 PolarHBondContact O-N 3.29Å; E127-Q131 PolarHBondContact OE1-NE2 2.9Å; E127-Q131 VanDerWaalsContact OE1-NE2 3.08Å; R128-Q131 PolarHBondContact O-N 3.46Å; Q131-A133 VanDerWaalsContact C-N 3.33Å; Q131-A133 PolarHBondContact O-N 2.82Å; Q131-I134 PolarHBondContact O-N 3.44Å; Q131-R135 WeakPolarHBondContact O-CB 3.49Å; Q131-R135 VanDerWaalsContact O-CG 3.23Å; Q131-R135 WeakPolarHBondContact O-CG 3.39Å; Q131-R135 PolarHBondContact O-N 2.89Å
132	D	96.5	Very high	96.1	Very high	81 Å²	81	50.1 Å²	50.1	43%	0.433	25%	0.245	S	C	.	.	H	α-helix	trans	-64.5	-38.9	178.5	-69.6	-15.9	0	0	0	111.4	R128 T130 R135 K136	R128-D132 WeakPolarHBondContact CG-OD2 3.33Å; R128-D132 WeakPolarHBondContact O-CB 3.1Å; R128-D132 PolarHBondContact O-N 3.13Å; T130-D132 PolarHBondContact O-N 2.86Å; D132-R135 IonicContact OD1-NH1 3.17Å; D132-K136 WeakPolarHBondContact O-CB 3.2Å; D132-K136 PolarHBondContact O-N 3.5Å
133	A	97.1	Very high	96.1	Very high	9 Å²	9	54.1 Å²	54.1	7%	0.074	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-47.8	173.9	0	0	0	0	0	112.1	A129 T130 Q131 K136 A137 V223 F224	A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.35Å; A129-A133 PolarHBondContact O-N 2.7Å; T130-A133 PolarHBondContact O-N 2.59Å; Q131-A133 VanDerWaalsContact C-N 3.33Å; Q131-A133 PolarHBondContact O-N 2.82Å; A133-K136 WeakPolarHBondContact O-CB 3.21Å; A133-K136 PolarHBondContact O-N 3.13Å; A133-A137 PolarHBondContact O-N 2.95Å; A133-V223 HydrophobicContact CB-CB 4.16Å; A133-V223 HydrophobicContact CB-CG1 3.91Å; A133-F224 HydrophobicContact CB-CB 3.9Å
134	I	98	Very high	96.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.4	-47.5	178.6	-69.5	168.1	0	0	0	111.1	I118 T130 Q131 K136 A137 F138 L169 F171 A227	I118-I134 HydrophobicContact CD1-CB 3.96Å; I118-I134 HydrophobicContact CD1-CD1 4.15Å; I118-I134 HydrophobicContact CD1-CG2 3.73Å; I118-I134 HydrophobicContact CG1-CD1 4.3Å; I118-I134 HydrophobicContact CG1-CG2 4.03Å; I118-I134 HydrophobicContact CG2-CD1 4.1Å; T130-I134 HydrophobicContact CG2-CD1 4.06Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 3.13Å; Q131-I134 PolarHBondContact O-N 3.44Å; I134-K136 VanDerWaalsContact C-N 3.26Å; I134-K136 PolarHBondContact O-N 3.15Å; I134-A137 WeakPolarHBondContact O-CB 3.47Å; I134-A137 PolarHBondContact O-N 3.41Å; I134-F138 HydrophobicContact CG2-CD2 3.99Å; I134-F138 HydrophobicContact CG2-CE2 3.8Å; I134-F138 WeakPolarHBondContact O-CD2 3.19Å; I134-F138 PolarHBondContact O-N 3.04Å; I134-L169 HydrophobicContact CD1-CD2 4.29Å; I134-L169 HydrophobicContact CG1-CD2 4.37Å; I134-L169 HydrophobicContact CG2-CD1 4.26Å; I134-L169 HydrophobicContact CG2-CD2 3.66Å; I134-F171 HydrophobicContact CD1-CE2 3.98Å; I134-F171 HydrophobicContact CD1-CZ 4.32Å; I134-A227 HydrophobicContact CG1-CB 4.43Å
135	R	97.9	Very high	96.3	Very high	81 Å²	81	44.5 Å²	44.5	31%	0.306	22%	0.223	S	C	.	.	H	α-helix	trans	-58	-41.5	177	-72.8	170.6	-177	134.8	10.9	111.2	F116 Q131 D132 A137 F138 K139 E151	F116-R135 HydrophobicContact CZ-CG 4.5Å; Q131-R135 WeakPolarHBondContact O-CB 3.49Å; Q131-R135 VanDerWaalsContact O-CG 3.23Å; Q131-R135 WeakPolarHBondContact O-CG 3.39Å; Q131-R135 PolarHBondContact O-N 2.89Å; D132-R135 IonicContact OD1-NH1 3.17Å; R135-A137 VanDerWaalsContact C-N 3.35Å; R135-F138 PolarHBondContact O-N 3.33Å; R135-K139 WeakPolarHBondContact O-CG 3.41Å; R135-K139 PolarHBondContact O-N 2.94Å; R135-K139 VanDerWaalsContact O-N 3.14Å; R135-E151 WeakPolarHBondContact CG-OE2 3.47Å; R135-E151 IonicContact CZ-OE1 3.19Å; R135-E151 IonicContact CZ-OE2 3.91Å; R135-E151 IonicContact NE-OE1 3.98Å; R135-E151 PolarHBondContact NE-OE1 3.14Å; R135-E151 IonicContact NE-OE2 2.8Å; R135-E151 PolarHBondContact NE-OE2 2.86Å; R135-E151 IonicContact NH2-OE1 2.99Å; R135-E151 PolarHBondContact NH2-OE1 2.92Å; R135-E151 IonicContact NH2-OE2 2.83Å
136	K	97.2	Very high	96.3	Very high	80 Å²	80	46.1 Å²	46.1	35%	0.348	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-41.1	175.3	-171.7	-176.5	174.8	174.2	0	111.6	D132 A133 I134 F138 K139 V140 F224 T256	D132-K136 WeakPolarHBondContact O-CB 3.2Å; D132-K136 PolarHBondContact O-N 3.5Å; A133-K136 WeakPolarHBondContact O-CB 3.21Å; A133-K136 PolarHBondContact O-N 3.13Å; I134-K136 VanDerWaalsContact C-N 3.26Å; I134-K136 PolarHBondContact O-N 3.15Å; K136-F138 PolarHBondContact O-N 3.17Å; K136-K139 WeakPolarHBondContact O-CB 3.21Å; K136-K139 PolarHBondContact O-N 2.88Å; K136-K139 VanDerWaalsContact O-N 3.13Å; K136-V140 WeakPolarHBondContact O-CG2 3.11Å; K136-V140 PolarHBondContact O-N 3.07Å; K136-F224 HydrophobicContact CB-CD2 3.93Å; K136-F224 HydrophobicContact CB-CE2 4.04Å; K136-F224 HydrophobicContact CD-CD2 3.79Å; K136-F224 HydrophobicContact CD-CE2 3.72Å; K136-F224 HydrophobicContact CD-CG 4.35Å; K136-F224 HydrophobicContact CD-CZ 4.22Å; K136-F224 HydrophobicContact CG-CD2 3.85Å; K136-F224 HydrophobicContact CG-CE2 3.54Å; K136-F224 HydrophobicContact CG-CZ 4.33Å; K136-T256 WeakPolarHBondContact CE-O 3.15Å; K136-T256 PolarHBondContact NZ-O 2.88Å
137	A	98.1	Very high	96.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-41.5	176.5	0	0	0	0	0	112.3	A133 I134 R135 K139 V140 W141 F224 A227 V228 L231	A133-A137 PolarHBondContact O-N 2.95Å; I134-A137 WeakPolarHBondContact O-CB 3.47Å; I134-A137 PolarHBondContact O-N 3.41Å; R135-A137 VanDerWaalsContact C-N 3.35Å; A137-K139 VanDerWaalsContact C-N 3.34Å; A137-K139 PolarHBondContact O-N 3.16Å; A137-V140 WeakPolarHBondContact O-CB 3.12Å; A137-V140 PolarHBondContact O-N 3.31Å; A137-W141 PolarHBondContact O-N 3.23Å; A137-F224 HydrophobicContact CB-CD2 4.15Å; A137-F224 HydrophobicContact CB-CE2 4.37Å; A137-A227 HydrophobicContact CB-CB 3.8Å; A137-V228 HydrophobicContact CB-CB 4.49Å; A137-V228 HydrophobicContact CB-CG2 3.63Å; A137-L231 HydrophobicContact CB-CD1 3.78Å
138	F	98.1	Very high	96.4	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-41.1	171.5	-82.1	-72.4	0	0	0	112.8	F116 I134 R135 K136 V140 W141 E142 F149 I167 L169 L231	F116-F138 HydrophobicContact CB-CE1 4.1Å; F116-F138 HydrophobicContact CB-CE2 3.9Å; F116-F138 HydrophobicContact CB-CZ 3.43Å; F116-F138 VanDerWaalsContact CB-CZ 3.43Å; F116-F138 HydrophobicContact CD1-CD1 4.21Å; F116-F138 AromaticContact CD1-CD2 3.98Å; F116-F138 HydrophobicContact CD1-CD2 3.98Å; F116-F138 HydrophobicContact CD1-CE1 4.01Å; F116-F138 AromaticContact CD1-CE2 3.79Å; F116-F138 HydrophobicContact CD1-CE2 3.79Å; F116-F138 HydrophobicContact CD1-CG 4.19Å; F116-F138 AromaticContact CD1-CZ 3.79Å; F116-F138 HydrophobicContact CD1-CZ 3.79Å; F116-F138 AromaticContact CD2-CD2 3.94Å; F116-F138 HydrophobicContact CD2-CD2 3.94Å; F116-F138 AromaticContact CD2-CE2 3.33Å; F116-F138 HydrophobicContact CD2-CE2 3.33Å; F116-F138 AromaticContact CD2-CZ 3.84Å; F116-F138 HydrophobicContact CD2-CZ 3.84Å; F116-F138 HydrophobicContact CE1-CD1 4.47Å; F116-F138 AromaticContact CE1-CD2 3.84Å; F116-F138 HydrophobicContact CE1-CD2 3.84Å; F116-F138 HydrophobicContact CE1-CE2 4.09Å; F116-F138 HydrophobicContact CE1-CG 4.04Å; F116-F138 HydrophobicContact CE1-CZ 4.48Å; F116-F138 AromaticContact CE2-CD2 3.8Å; F116-F138 HydrophobicContact CE2-CD2 3.8Å; F116-F138 AromaticContact CE2-CE2 3.67Å; F116-F138 HydrophobicContact CE2-CE2 3.67Å; F116-F138 HydrophobicContact CG-CD2 4.02Å; F116-F138 HydrophobicContact CG-CE1 4.08Å; F116-F138 AromaticContact CG-CE2 3.39Å; F116-F138 HydrophobicContact CG-CE2 3.39Å; F116-F138 AromaticContact CG-CZ 3.41Å; F116-F138 HydrophobicContact CG-CZ 3.41Å; F116-F138 VanDerWaalsContact CG-CZ 3.41Å; F116-F138 AromaticContact CZ-CD2 3.74Å; F116-F138 HydrophobicContact CZ-CD2 3.74Å; F116-F138 HydrophobicContact CZ-CE2 4.03Å; F116-F138 HydrophobicContact CZ-CG 4.33Å; I134-F138 HydrophobicContact CG2-CD2 3.99Å; I134-F138 HydrophobicContact CG2-CE2 3.8Å; I134-F138 WeakPolarHBondContact O-CD2 3.19Å; I134-F138 PolarHBondContact O-N 3.04Å; R135-F138 PolarHBondContact O-N 3.33Å; K136-F138 PolarHBondContact O-N 3.17Å; F138-V140 VanDerWaalsContact C-N 3.3Å; F138-V140 PolarHBondContact O-N 3.06Å; F138-W141 PolarHBondContact O-N 3.29Å; F138-E142 WeakPolarHBondContact O-CB 3.39Å; F138-E142 PolarHBondContact O-N 3.38Å; F138-F149 HydrophobicContact CB-CB 4.31Å; F138-F149 HydrophobicContact CB-CD2 4.41Å; F138-F149 HydrophobicContact CB-CG 4.34Å; F138-F149 HydrophobicContact CD1-CB 3.88Å; F138-F149 AromaticContact CD1-CD1 3.37Å; F138-F149 HydrophobicContact CD1-CD1 3.37Å; F138-F149 HydrophobicContact CD1-CD2 4.03Å; F138-F149 AromaticContact CD1-CE1 3.84Å; F138-F149 HydrophobicContact CD1-CE1 3.84Å; F138-F149 HydrophobicContact CD1-CE2 4.43Å; F138-F149 AromaticContact CD1-CG 3.47Å; F138-F149 HydrophobicContact CD1-CG 3.47Å; F138-F149 VanDerWaalsContact CD1-CG 3.47Å; F138-F149 HydrophobicContact CD1-CZ 4.34Å; F138-F149 AromaticContact CE1-CD1 3.6Å; F138-F149 HydrophobicContact CE1-CD1 3.6Å; F138-F149 AromaticContact CE1-CE1 3.98Å; F138-F149 HydrophobicContact CE1-CE1 3.98Å; F138-F149 HydrophobicContact CE1-CG 4.15Å; F138-F149 HydrophobicContact CG-CB 4.32Å; F138-F149 HydrophobicContact CG-CG 4.27Å; F138-I167 HydrophobicContact CE1-CD1 4.06Å; F138-I167 HydrophobicContact CZ-CD1 4.38Å; F138-I167 HydrophobicContact CZ-CG2 4.11Å; F138-L169 HydrophobicContact CE2-CD1 3.88Å; F138-L169 HydrophobicContact CE2-CD2 4.38Å; F138-L169 HydrophobicContact CZ-CD1 4.06Å; F138-L231 HydrophobicContact CD1-CD1 3.99Å; F138-L231 HydrophobicContact CD1-CD2 4.47Å; F138-L231 HydrophobicContact CD2-CD1 3.87Å; F138-L231 HydrophobicContact CE1-CD1 4.02Å; F138-L231 HydrophobicContact CE1-CD2 3.69Å; F138-L231 HydrophobicContact CE1-CG 4.49Å; F138-L231 HydrophobicContact CE2-CD1 3.87Å; F138-L231 HydrophobicContact CE2-CD2 4.02Å; F138-L231 HydrophobicContact CG-CD1 3.93Å; F138-L231 HydrophobicContact CZ-CD1 3.96Å; F138-L231 HydrophobicContact CZ-CD2 3.42Å; F138-L231 VanDerWaalsContact CZ-CD2 3.42Å; F138-L231 HydrophobicContact CZ-CG 4.36Å
139	K	96.8	Very high	96.5	Very high	118 Å²	118	34.8 Å²	34.8	51%	0.513	19%	0.187	S	C	.	.	H	α-helix	trans	-63.8	-33.3	177.5	-68.7	-49.9	-170.6	-168	0	113.4	R135 K136 A137 E142 S143	R135-K139 WeakPolarHBondContact O-CG 3.41Å; R135-K139 PolarHBondContact O-N 2.94Å; R135-K139 VanDerWaalsContact O-N 3.14Å; K136-K139 WeakPolarHBondContact O-CB 3.21Å; K136-K139 PolarHBondContact O-N 2.88Å; K136-K139 VanDerWaalsContact O-N 3.13Å; A137-K139 VanDerWaalsContact C-N 3.34Å; A137-K139 PolarHBondContact O-N 3.16Å; K139-E142 WeakPolarHBondContact CD-OE2 3.33Å; K139-E142 WeakPolarHBondContact CE-OE2 3.36Å; K139-E142 IonicContact NZ-OE1 3.56Å; K139-E142 IonicContact NZ-OE2 2.76Å; K139-E142 PolarHBondContact NZ-OE2 3.34Å; K139-E142 PolarHBondContact O-N 2.91Å; K139-S143 WeakPolarHBondContact O-CB 3.48Å; K139-S143 PolarHBondContact O-N 2.92Å
140	V	97	Very high	96.6	Very high	17 Å²	17	39 Å²	39	10%	0.103	20%	0.196	C	C	.	.	H	α-helix	trans	-57.5	-51.8	174	169.3	0	0	0	0	110.1	K136 A137 F138 S143 F224 V228 F259 L261	K136-V140 WeakPolarHBondContact O-CG2 3.11Å; K136-V140 PolarHBondContact O-N 3.07Å; A137-V140 WeakPolarHBondContact O-CB 3.12Å; A137-V140 PolarHBondContact O-N 3.31Å; F138-V140 VanDerWaalsContact C-N 3.3Å; F138-V140 PolarHBondContact O-N 3.06Å; V140-S143 PolarHBondContact O-N 2.86Å; V140-S143 PolarHBondContact O-OG 2.84Å; V140-F224 HydrophobicContact CG2-CE2 3.77Å; V140-F224 HydrophobicContact CG2-CZ 3.77Å; V140-V228 HydrophobicContact CB-CG2 4.42Å; V140-V228 HydrophobicContact CG1-CG1 4.21Å; V140-V228 HydrophobicContact CG1-CG2 4.5Å; V140-V228 HydrophobicContact CG2-CG2 4.32Å; V140-F259 HydrophobicContact CG1-CD1 3.91Å; V140-F259 HydrophobicContact CG1-CE1 3.69Å; V140-F259 HydrophobicContact CG2-CD1 3.86Å; V140-F259 HydrophobicContact CG2-CE1 4.38Å; V140-L261 HydrophobicContact CG1-CD1 4.01Å; V140-L261 HydrophobicContact CG1-CD2 3.69Å; V140-L261 HydrophobicContact CG1-CG 3.53Å
141	W	97.2	Very high	96.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-45.2	178.4	-65.6	114.6	0	0	0	112.2	A137 F138 S143 A144 I145 F149 V228 L235 L237 I246 M247 L261 D265 I269	A137-W141 PolarHBondContact O-N 3.23Å; F138-W141 PolarHBondContact O-N 3.29Å; W141-S143 PolarHBondContact O-N 3.15Å; W141-A144 PolarHBondContact O-N 3.32Å; W141-I145 WeakPolarHBondContact O-CG1 3.17Å; W141-I145 PolarHBondContact O-N 2.67Å; W141-F149 HydrophobicContact CB-CE2 4.26Å; W141-F149 HydrophobicContact CB-CZ 4.46Å; W141-V228 HydrophobicContact CZ2-CG1 4.06Å; W141-V228 VanDerWaalsContact CZ2-O 3.27Å; W141-V228 WeakPolarHBondContact CZ2-O 3.12Å; W141-V228 PolarHBondContact NE1-O 2.9Å; W141-L235 HydrophobicContact CB-CD1 3.72Å; W141-L235 HydrophobicContact CD2-CD1 3.89Å; W141-L235 HydrophobicContact CE3-CD1 4.4Å; W141-L235 HydrophobicContact CG-CD1 3.57Å; W141-L237 HydrophobicContact CH2-CD1 3.46Å; W141-L237 VanDerWaalsContact CH2-CD1 3.46Å; W141-L237 HydrophobicContact CZ2-CD1 4.33Å; W141-L237 HydrophobicContact CZ3-CD1 3.8Å; W141-I246 HydrophobicContact CH2-CG2 4.44Å; W141-I246 HydrophobicContact CZ2-CG2 4.42Å; W141-M247 HydrophobicContact CZ2-SD 4.41Å; W141-L261 HydrophobicContact CD2-CD1 4.42Å; W141-L261 HydrophobicContact CD2-CD2 4.46Å; W141-L261 HydrophobicContact CE3-CD1 3.68Å; W141-L261 HydrophobicContact CE3-CD2 4.12Å; W141-L261 HydrophobicContact CH2-CD2 3.72Å; W141-L261 HydrophobicContact CZ2-CD2 4.08Å; W141-L261 HydrophobicContact CZ3-CD1 3.79Å; W141-L261 HydrophobicContact CZ3-CD2 3.73Å; W141-L261 HydrophobicContact CZ3-CG 4.44Å; W141-D265 HydrophobicContact CH2-CB 4.2Å; W141-I269 HydrophobicContact CE3-CB 4.14Å; W141-I269 HydrophobicContact CE3-CD1 4.39Å; W141-I269 HydrophobicContact CE3-CG1 3.89Å; W141-I269 HydrophobicContact CE3-CG2 4.07Å; W141-I269 HydrophobicContact CZ3-CB 3.8Å; W141-I269 HydrophobicContact CZ3-CD1 4.43Å; W141-I269 HydrophobicContact CZ3-CG1 4.01Å; W141-I269 HydrophobicContact CZ3-CG2 3.86Å
142	E	95.8	Very high	96.5	Very high	28 Å²	28	41.5 Å²	41.5	13%	0.131	21%	0.209	C	C	.	.	H	α-helix	trans	-56.4	-26.2	177.8	-162.4	176.1	-119.9	0	0	113.7	F138 K139 A144 L147 T148 F149 K276	F138-E142 WeakPolarHBondContact O-CB 3.39Å; F138-E142 PolarHBondContact O-N 3.38Å; K139-E142 WeakPolarHBondContact CD-OE2 3.33Å; K139-E142 WeakPolarHBondContact CE-OE2 3.36Å; K139-E142 IonicContact NZ-OE1 3.56Å; K139-E142 IonicContact NZ-OE2 2.76Å; K139-E142 PolarHBondContact NZ-OE2 3.34Å; K139-E142 PolarHBondContact O-N 2.91Å; E142-A144 VanDerWaalsContact C-N 3.33Å; E142-L147 WeakPolarHBondContact CG-O 3.4Å; E142-T148 WeakPolarHBondContact OE1-CA 3.3Å; E142-F149 HydrophobicContact CB-CD2 3.83Å; E142-F149 HydrophobicContact CB-CE2 4.03Å; E142-F149 HydrophobicContact CG-CD2 4.15Å; E142-F149 PolarHBondContact OE1-N 3.24Å; E142-K276 PolarHBondContact O-NZ 2.83Å
143	S	94.5	Very high	96.4	Very high	84 Å²	84	40.2 Å²	40.2	59%	0.587	21%	0.205	S	C	*	.	H	α-helix	trans	-72.3	-26.9	177	78.8	0	0	0	0	113	K139 V140 W141	K139-S143 WeakPolarHBondContact O-CB 3.48Å; K139-S143 PolarHBondContact O-N 2.92Å; V140-S143 PolarHBondContact O-N 2.86Å; V140-S143 PolarHBondContact O-OG 2.84Å; W141-S143 PolarHBondContact O-N 3.15Å
144	A	94.3	Very high	96	Very high	8 Å²	8	41.9 Å²	41.9	7%	0.066	21%	0.211	C	C	.	.	H	α-helix	trans	-96.9	-25.3	-172.3	0	0	0	0	0	114.1	W141 E142 L261 R266 I269 Q270	W141-A144 PolarHBondContact O-N 3.32Å; E142-A144 VanDerWaalsContact C-N 3.33Å; A144-L261 HydrophobicContact CB-CD1 3.8Å; A144-R266 HydrophobicContact CB-CG 4.45Å; A144-I269 HydrophobicContact CB-CG2 4.34Å; A144-Q270 PolarHBondContact O-NE2 3.19Å
145	I	95.1	Very high	95.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-128.8	163	-172.3	59.5	171.3	0	0	0	112.4	W141 L147 I269 Q270 Y273	W141-I145 WeakPolarHBondContact O-CG1 3.17Å; W141-I145 PolarHBondContact O-N 2.67Å; I145-L147 VanDerWaalsContact C-N 3.26Å; I145-L147 HydrophobicContact CD1-CB 3.85Å; I145-L147 HydrophobicContact CD1-CD1 3.78Å; I145-L147 HydrophobicContact CD1-CG 3.88Å; I145-L147 HydrophobicContact CG1-CB 4.18Å; I145-L147 PolarHBondContact O-N 2.89Å; I145-I269 HydrophobicContact CD1-CD1 4.48Å; I145-I269 HydrophobicContact CD1-CG1 4Å; I145-I269 HydrophobicContact CG2-CB 4.25Å; I145-I269 HydrophobicContact CG2-CG1 3.72Å; I145-I269 HydrophobicContact CG2-CG2 3.77Å; I145-Q270 HydrophobicContact CG2-CG 4.25Å; I145-Y273 HydrophobicContact CD1-CD2 3.73Å; I145-Y273 HydrophobicContact CD1-CE2 4.35Å; I145-Y273 HydrophobicContact CD1-CG 4.11Å
146	P	94.6	Very high	95.1	Very high	65 Å²	65	47.9 Å²	47.9	42%	0.422	25%	0.253	S	S	.	.	S	Bend	trans	-77.5	-2.5	179.8	30.8	-37.1	0	0	0	114.8	Y273 G274	P146-Y273 WeakPolarHBondContact CD-O 3.45Å; P146-Y273 WeakPolarHBondContact CG-O 3.34Å; P146-G274 WeakPolarHBondContact CD-O 3.43Å
147	L	95	Very high	94.6	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.037	24%	0.239	C	C	.	.			trans	-67.3	143.7	173.8	-68.2	-173.5	0	0	0	111.2	K111 S112 V114 E142 I145 F149 L235 Y273	K111-L147 WeakPolarHBondContact O-CD2 3.01Å; S112-L147 WeakPolarHBondContact O-CA 3.47Å; V114-L147 HydrophobicContact CG2-CD1 4.08Å; E142-L147 WeakPolarHBondContact CG-O 3.4Å; I145-L147 VanDerWaalsContact C-N 3.26Å; I145-L147 HydrophobicContact CD1-CB 3.85Å; I145-L147 HydrophobicContact CD1-CD1 3.78Å; I145-L147 HydrophobicContact CD1-CG 3.88Å; I145-L147 HydrophobicContact CG1-CB 4.18Å; I145-L147 PolarHBondContact O-N 2.89Å; L147-F149 HydrophobicContact CB-CE2 4.47Å; L147-F149 HydrophobicContact CB-CZ 4.3Å; L147-L235 HydrophobicContact CD1-CD2 4.07Å; L147-Y273 HydrophobicContact CD1-CD1 3.7Å; L147-Y273 HydrophobicContact CD1-CD2 4.22Å; L147-Y273 HydrophobicContact CD1-CE1 3.56Å; L147-Y273 HydrophobicContact CD1-CE2 4.09Å; L147-Y273 HydrophobicContact CD1-CG 4.04Å; L147-Y273 HydrophobicContact CD2-CD1 4.13Å; L147-Y273 HydrophobicContact CD2-CE1 4.39Å; L147-Y273 HydrophobicContact CG-CD1 3.87Å; L147-Y273 HydrophobicContact CG-CE1 4.21Å; L147-Y273 HydrophobicContact CG-CG 4.16Å
148	T	96.6	Very high	93.8	Very high	60 Å²	60	53.4 Å²	53.4	37%	0.368	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	143.8	170.2	57.2	0	0	0	0	110.8	S112 E113 V114 E142	S112-T148 PolarHBondContact O-N 3.29Å; S112-T148 PolarHBondContact O-OG1 2.87Å; E113-T148 WeakPolarHBondContact CA-O 3.26Å; V114-T148 PolarHBondContact N-O 3.07Å; E142-T148 WeakPolarHBondContact OE1-CA 3.3Å
149	F	97.8	Very high	92.4	Very high	19 Å²	19	57.1 Å²	57.1	8%	0.083	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.1	-179.8	-60.1	-81.4	0	0	0	111.8	V114 F116 F138 W141 E142 L147 L235	V114-F149 HydrophobicContact CB-CD1 3.91Å; V114-F149 HydrophobicContact CB-CE1 3.98Å; V114-F149 HydrophobicContact CG1-CD1 4.35Å; V114-F149 HydrophobicContact CG1-CE1 4.34Å; V114-F149 HydrophobicContact CG2-CE1 4.44Å; V114-F149 VanDerWaalsContact O-CA 3.3Å; V114-F149 WeakPolarHBondContact O-CA 3.29Å; F116-F149 HydrophobicContact CD1-CB 4.13Å; F116-F149 HydrophobicContact CE1-CB 4.1Å; F138-F149 HydrophobicContact CB-CB 4.31Å; F138-F149 HydrophobicContact CB-CD2 4.41Å; F138-F149 HydrophobicContact CB-CG 4.34Å; F138-F149 HydrophobicContact CD1-CB 3.88Å; F138-F149 AromaticContact CD1-CD1 3.37Å; F138-F149 HydrophobicContact CD1-CD1 3.37Å; F138-F149 HydrophobicContact CD1-CD2 4.03Å; F138-F149 AromaticContact CD1-CE1 3.84Å; F138-F149 HydrophobicContact CD1-CE1 3.84Å; F138-F149 HydrophobicContact CD1-CE2 4.43Å; F138-F149 AromaticContact CD1-CG 3.47Å; F138-F149 HydrophobicContact CD1-CG 3.47Å; F138-F149 VanDerWaalsContact CD1-CG 3.47Å; F138-F149 HydrophobicContact CD1-CZ 4.34Å; F138-F149 AromaticContact CE1-CD1 3.6Å; F138-F149 HydrophobicContact CE1-CD1 3.6Å; F138-F149 AromaticContact CE1-CE1 3.98Å; F138-F149 HydrophobicContact CE1-CE1 3.98Å; F138-F149 HydrophobicContact CE1-CG 4.15Å; F138-F149 HydrophobicContact CG-CB 4.32Å; F138-F149 HydrophobicContact CG-CG 4.27Å; W141-F149 HydrophobicContact CB-CE2 4.26Å; W141-F149 HydrophobicContact CB-CZ 4.46Å; E142-F149 HydrophobicContact CB-CD2 3.83Å; E142-F149 HydrophobicContact CB-CE2 4.03Å; E142-F149 HydrophobicContact CG-CD2 4.15Å; E142-F149 PolarHBondContact OE1-N 3.24Å; L147-F149 HydrophobicContact CB-CE2 4.47Å; L147-F149 HydrophobicContact CB-CZ 4.3Å; F149-L235 HydrophobicContact CE1-CD2 3.82Å; F149-L235 HydrophobicContact CZ-CD1 4.12Å; F149-L235 HydrophobicContact CZ-CD2 3.74Å
150	R	97.4	Very high	91.2	Very high	117 Å²	117	56.6 Å²	56.6	44%	0.442	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.7	178.3	-175.2	178	67.5	-140.5	-6.6	111.4	E113 V114 T115 F116	E113-R150 HydrophobicContact CG-CB 4.33Å; E113-R150 IonicContact OE1-CZ 3.83Å; E113-R150 IonicContact OE1-NH1 2.61Å; E113-R150 PolarHBondContact OE1-NH1 3.32Å; E113-R150 IonicContact OE1-NH2 3.73Å; E113-R150 PolarHBondContact OE1-NH2 2.74Å; E113-R150 IonicContact OE2-CZ 2.81Å; E113-R150 IonicContact OE2-NE 3.9Å; E113-R150 IonicContact OE2-NH1 2.9Å; E113-R150 PolarHBondContact OE2-NH1 3.26Å; V114-R150 PolarHBondContact O-N 3.25Å; T115-R150 CarbonylContact C-O 3.47Å; T115-R150 VanDerWaalsContact CA-O 3.23Å; T115-R150 WeakPolarHBondContact CA-O 3.35Å; T115-R150 HydrophobicContact CG2-CB 4.47Å; T115-R150 VanDerWaalsContact CG2-NH2 3.27Å; F116-R150 PolarHBondContact N-O 2.96Å
151	E	97	Very high	89.3	Confident	60 Å²	60	62.7 Å²	62.7	28%	0.28	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.9	172.6	-166.6	173	157.4	0	0	110.7	F116 R135	F116-E151 HydrophobicContact CD1-CB 4.46Å; F116-E151 HydrophobicContact CD2-CB 4.49Å; F116-E151 HydrophobicContact CD2-CG 4.22Å; F116-E151 HydrophobicContact CE1-CB 3.8Å; F116-E151 HydrophobicContact CE1-CG 4.48Å; F116-E151 HydrophobicContact CE2-CB 3.83Å; F116-E151 HydrophobicContact CE2-CG 3.59Å; F116-E151 HydrophobicContact CZ-CB 3.45Å; F116-E151 VanDerWaalsContact CZ-CB 3.45Å; F116-E151 HydrophobicContact CZ-CG 3.76Å; F116-E151 CarbonylContact O-C 3.49Å; F116-E151 WeakPolarHBondContact O-CA 3.46Å; R135-E151 WeakPolarHBondContact CG-OE2 3.47Å; R135-E151 IonicContact CZ-OE1 3.19Å; R135-E151 IonicContact CZ-OE2 3.91Å; R135-E151 IonicContact NE-OE1 3.98Å; R135-E151 PolarHBondContact NE-OE1 3.14Å; R135-E151 IonicContact NE-OE2 2.8Å; R135-E151 PolarHBondContact NE-OE2 2.86Å; R135-E151 IonicContact NH2-OE1 2.99Å; R135-E151 PolarHBondContact NH2-OE1 2.92Å; R135-E151 IonicContact NH2-OE2 2.83Å
152	I	95	Very high	87.6	Confident	34 Å²	34	70.3 Å²	70.3	17%	0.174	39%	0.387	C	S	.	.			trans	-108	118.5	166.5	-56.6	176.2	0	0	0	106.5	T115 F116 S117 F154 Q156 I157	T115-I152 HydrophobicContact CG2-CD1 3.86Å; T115-I152 HydrophobicContact CG2-CG1 4.38Å; F116-I152 PolarHBondContact O-N 2.79Å; S117-I152 WeakPolarHBondContact CB-O 3.33Å; S117-I152 PolarHBondContact OG-O 3.27Å; I152-F154 PolarHBondContact O-N 2.97Å; I152-Q156 HydrophobicContact CG2-CB 4.4Å; I152-I157 HydrophobicContact CG2-CG2 3.72Å
153	P	93.1	Very high	86.4	Confident	54 Å²	54	74.8 Å²	74.8	35%	0.351	41%	0.406	S	S	.	.			trans	-58.4	131.5	178.3	-24.9	33.7	0	0	0	111.2	S155 Q156	P153-S155 PolarHBondContact O-N 3.35Å; P153-S155 VanDerWaalsContact O-N 3.09Å; P153-Q156 HydrophobicContact CB-CG 4.27Å; P153-Q156 WeakPolarHBondContact O-CB 3.5Å; P153-Q156 PolarHBondContact O-N 3.49Å
154	F	89.8	Confident	85.6	Confident	44 Å²	44	76.3 Å²	76.3	19%	0.193	40%	0.4	C	S	.	.	H	α-helix	trans	-56.2	-34	-175.7	-178.3	-119.5	0	0	0	113	S117 I118 E119 I152 Q156 I157 R158 M168	S117-F154 WeakPolarHBondContact OG-CA 3.3Å; I118-F154 WeakPolarHBondContact O-CB 3.43Å; E119-F154 HydrophobicContact CB-CD2 4.24Å; E119-F154 HydrophobicContact CB-CE1 4.48Å; E119-F154 HydrophobicContact CB-CE2 4.15Å; E119-F154 HydrophobicContact CB-CG 4.44Å; E119-F154 HydrophobicContact CB-CZ 4.27Å; E119-F154 HydrophobicContact CG-CD1 4.28Å; E119-F154 HydrophobicContact CG-CD2 4.44Å; E119-F154 HydrophobicContact CG-CE1 3.79Å; E119-F154 HydrophobicContact CG-CE2 3.96Å; E119-F154 HydrophobicContact CG-CZ 3.6Å; E119-F154 WeakPolarHBondContact O-CD1 3.39Å; I152-F154 PolarHBondContact O-N 2.97Å; F154-Q156 PolarHBondContact O-N 3.07Å; F154-I157 HydrophobicContact CD2-CD1 4.11Å; F154-I157 HydrophobicContact CD2-CG1 3.88Å; F154-I157 HydrophobicContact CE2-CG1 4.45Å; F154-I157 WeakPolarHBondContact O-CG1 3.37Å; F154-I157 PolarHBondContact O-N 3.18Å; F154-R158 HydrophobicContact CD1-CB 4.3Å; F154-R158 HydrophobicContact CE1-CB 4.02Å; F154-R158 HydrophobicContact CE1-CG 3.86Å; F154-R158 HydrophobicContact CE2-CB 4.49Å; F154-R158 HydrophobicContact CZ-CB 4.13Å; F154-R158 HydrophobicContact CZ-CG 4.03Å; F154-R158 WeakPolarHBondContact O-CB 3.17Å; F154-R158 PolarHBondContact O-N 2.84Å; F154-M168 HydrophobicContact CD2-CE 3.72Å; F154-M168 HydrophobicContact CE2-CE 3.6Å
155	S	89.1	Confident	85.3	Confident	99 Å²	99	76 Å²	76	69%	0.692	40%	0.397	S	S	*	.	H	α-helix	trans	-55.7	-24.4	174.8	59	0	0	0	0	114.2	P153	P153-S155 PolarHBondContact O-N 3.35Å; P153-S155 VanDerWaalsContact O-N 3.09Å
156	Q	88	Confident	85	Confident	107 Å²	107	78 Å²	78	50%	0.5	41%	0.408	S	S	.	.	H	α-helix	trans	-83	-23.7	179.3	-61.2	-175.8	12.1	0	0	113.5	I152 P153 F154 K160	I152-Q156 HydrophobicContact CG2-CB 4.4Å; P153-Q156 HydrophobicContact CB-CG 4.27Å; P153-Q156 WeakPolarHBondContact O-CB 3.5Å; P153-Q156 PolarHBondContact O-N 3.49Å; F154-Q156 PolarHBondContact O-N 3.07Å; Q156-K160 WeakPolarHBondContact O-CD 3.39Å; Q156-K160 WeakPolarHBondContact O-CE 3.25Å; Q156-K160 PolarHBondContact O-NZ 2.59Å
157	I	86.1	Confident	85	Confident	13 Å²	13	74.9 Å²	74.9	7%	0.067	39%	0.387	C	S	.	.	H	α-helix	trans	-110.2	-19.7	-176.7	63.4	172.4	0	0	0	112.8	S117 I152 F154 G159 K160 K163 A165 M168	S117-I157 WeakPolarHBondContact OG-CD1 3.31Å; I152-I157 HydrophobicContact CG2-CG2 3.72Å; F154-I157 HydrophobicContact CD2-CD1 4.11Å; F154-I157 HydrophobicContact CD2-CG1 3.88Å; F154-I157 HydrophobicContact CE2-CG1 4.45Å; F154-I157 WeakPolarHBondContact O-CG1 3.37Å; F154-I157 PolarHBondContact O-N 3.18Å; I157-G159 PolarHBondContact O-N 3.28Å; I157-K160 WeakPolarHBondContact O-CB 3.46Å; I157-K160 PolarHBondContact O-N 3.22Å; I157-K163 HydrophobicContact CB-CB 4.28Å; I157-K163 HydrophobicContact CG2-CB 4.02Å; I157-A165 HydrophobicContact CD1-CB 4.48Å; I157-M168 HydrophobicContact CD1-CE 4.26Å; I157-M168 HydrophobicContact CD1-SD 3.74Å
158	R	81.7	Confident	84.7	Confident	184 Å²	184	74.9 Å²	74.9	69%	0.694	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	126.4	177.8	-171.9	179.4	-173.9	-176.4	2.9	111.5	F154 K160	F154-R158 HydrophobicContact CD1-CB 4.3Å; F154-R158 HydrophobicContact CE1-CB 4.02Å; F154-R158 HydrophobicContact CE1-CG 3.86Å; F154-R158 HydrophobicContact CE2-CB 4.49Å; F154-R158 HydrophobicContact CZ-CB 4.13Å; F154-R158 HydrophobicContact CZ-CG 4.03Å; F154-R158 WeakPolarHBondContact O-CB 3.17Å; F154-R158 PolarHBondContact O-N 2.84Å; R158-K160 VanDerWaalsContact C-N 3.29Å; R158-K160 PolarHBondContact O-N 3.41Å
159	G	68.8	Low	84.7	Confident	81 Å²	81	72 Å²	72	84%	0.835	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	6.9	177.8	0	0	0	0	0	115.2	I157	I157-G159 PolarHBondContact O-N 3.28Å
160	K	72.6	Confident	84.5	Confident	108 Å²	108	71.8 Å²	71.8	47%	0.47	37%	0.37	S	S	.	.			trans	-107.5	108.6	176.6	-62.5	178.5	-173.3	165.7	0	109.5	Q156 I157 R158 D162 K163	Q156-K160 WeakPolarHBondContact O-CD 3.39Å; Q156-K160 WeakPolarHBondContact O-CE 3.25Å; Q156-K160 PolarHBondContact O-NZ 2.59Å; I157-K160 WeakPolarHBondContact O-CB 3.46Å; I157-K160 PolarHBondContact O-N 3.22Å; R158-K160 VanDerWaalsContact C-N 3.29Å; R158-K160 PolarHBondContact O-N 3.41Å; K160-D162 PolarHBondContact O-N 2.97Å; K160-K163 HydrophobicContact CB-CB 4.07Å; K160-K163 HydrophobicContact CB-CG 4.48Å; K160-K163 HydrophobicContact CD-CD 4.05Å; K160-K163 PolarHBondContact O-N 2.87Å
161	V	55.3	Low	84.3	Confident	144 Å²	144	66.2 Å²	66.2	87%	0.873	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.1	-176.1	-175.8	0	0	0	0	112.2
162	D	63	Low	83.7	Confident	160 Å²	160	64.3 Å²	64.3	86%	0.856	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	6.5	-175.7	-49.8	-42	0	0	0	114.1	K160	K160-D162 PolarHBondContact O-N 2.97Å
163	K	70.8	Confident	83	Confident	123 Å²	123	67 Å²	67	54%	0.535	36%	0.358	S	S	.	.			trans	-124.5	111.8	178.6	-71	-162.7	175.7	-167.1	0	110.9	I157 K160	I157-K163 HydrophobicContact CB-CB 4.28Å; I157-K163 HydrophobicContact CG2-CB 4.02Å; K160-K163 HydrophobicContact CB-CB 4.07Å; K160-K163 HydrophobicContact CB-CG 4.48Å; K160-K163 HydrophobicContact CD-CD 4.05Å; K160-K163 PolarHBondContact O-N 2.87Å
164	Y	77.1	Confident	82.2	Confident	116 Å²	116	65.8 Å²	65.8	46%	0.455	36%	0.356	S	S	.	.			trans	-132.6	146.9	176.8	-158.5	-109.9	0	0	0	109.4	M168 G198 D202	Y164-M168 HydrophobicContact CD1-CG 4.31Å; Y164-M168 HydrophobicContact CD2-CG 4.08Å; Y164-M168 HydrophobicContact CD2-SD 4.49Å; Y164-M168 HydrophobicContact CE1-CB 4.43Å; Y164-M168 HydrophobicContact CE1-CG 3.56Å; Y164-M168 HydrophobicContact CE2-CB 4.44Å; Y164-M168 HydrophobicContact CE2-CE 4.48Å; Y164-M168 HydrophobicContact CE2-CG 3.32Å; Y164-M168 HydrophobicContact CE2-SD 4.16Å; Y164-M168 VanDerWaalsContact OH-CB 3.3Å; Y164-M168 WeakPolarHBondContact OH-CB 3.33Å; Y164-M168 WeakPolarHBondContact OH-CG 3.47Å; Y164-G198 WeakPolarHBondContact CE1-O 3.23Å; Y164-D202 PolarHBondContact OH-OD1 2.99Å; Y164-D202 VanDerWaalsContact OH-OD1 3.05Å; Y164-D202 PolarHBondContact OH-OD2 3.45Å
165	A	87.6	Confident	81.1	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.008	38%	0.379	C	S	.	.			trans	-83.4	158.3	169.4	0	0	0	0	0	109.1	I157 I167 M168	I157-A165 HydrophobicContact CD1-CB 4.48Å; A165-I167 PolarHBondContact O-N 3.39Å; A165-M168 HydrophobicContact CB-SD 4.09Å
166	D	88.1	Confident	80.4	Confident	42 Å²	42	68.2 Å²	68.2	23%	0.225	35%	0.354	C	S	.	.	S	Bend	trans	-68.7	-24.6	-179.3	-53.6	-63	0	0	0	113.3	W109 K111 V114 T115	W109-D166 HydrophobicContact CH2-CB 3.94Å; W109-D166 VanDerWaalsContact CH2-O 3.28Å; W109-D166 WeakPolarHBondContact CH2-O 3.42Å; W109-D166 HydrophobicContact CZ2-CB 4.25Å; W109-D166 WeakPolarHBondContact CZ2-O 3.44Å; W109-D166 HydrophobicContact CZ3-CB 4.27Å; K111-D166 VanDerWaalsContact CE-CG 3.44Å; K111-D166 VanDerWaalsContact CE-OD2 3.24Å; K111-D166 WeakPolarHBondContact CE-OD2 3.32Å; K111-D166 IonicContact NZ-OD1 2.66Å; K111-D166 PolarHBondContact NZ-OD1 3.21Å; K111-D166 IonicContact NZ-OD2 3.36Å; K111-D166 PolarHBondContact NZ-OD2 3.46Å; K111-D166 VanDerWaalsContact NZ-OD2 3.15Å; V114-D166 HydrophobicContact CG1-CB 3.76Å; T115-D166 PolarHBondContact N-OD2 2.88Å; T115-D166 WeakPolarHBondContact O-CA 3.09Å; T115-D166 VanDerWaalsContact O-CB 3.29Å; T115-D166 WeakPolarHBondContact O-CB 3.27Å; T115-D166 PolarHBondContact O-N 3.11Å; T115-D166 PolarHBondContact OG1-N 2.91Å; T115-D166 PolarHBondContact OG1-OD2 3.47Å
167	I	94.7	Very high	78.9	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	110.1	175.7	-64.4	174.1	0	0	0	107.3	W109 V114 T115 F116 S117 F138 A165 L169 G201 L231 A234	W109-I167 HydrophobicContact CZ2-CG1 4.13Å; V114-I167 HydrophobicContact CG1-CD1 3.85Å; V114-I167 HydrophobicContact CG1-CG1 4.16Å; T115-I167 PolarHBondContact O-N 2.87Å; F116-I167 CarbonylContact C-O 3.59Å; F116-I167 WeakPolarHBondContact CA-O 3.37Å; F116-I167 HydrophobicContact CB-CB 4.03Å; F116-I167 HydrophobicContact CB-CG2 4.41Å; F116-I167 WeakPolarHBondContact CB-O 3.13Å; S117-I167 PolarHBondContact N-O 2.9Å; F138-I167 HydrophobicContact CE1-CD1 4.06Å; F138-I167 HydrophobicContact CZ-CD1 4.38Å; F138-I167 HydrophobicContact CZ-CG2 4.11Å; A165-I167 PolarHBondContact O-N 3.39Å; I167-L169 HydrophobicContact CG2-CD1 3.9Å; I167-L169 HydrophobicContact CG2-CG 4.17Å; I167-G201 WeakPolarHBondContact CG2-O 3.48Å; I167-L231 HydrophobicContact CG2-CD2 4.16Å; I167-A234 HydrophobicContact CD1-CB 4.06Å; I167-A234 HydrophobicContact CG1-CB 4.46Å
168	M	89.3	Confident	78.1	Confident	7 Å²	7	66.6 Å²	66.6	3%	0.034	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.3	166.4	-70.5	-66.2	-69.6	0	0	110.9	S117 E119 F154 I157 Y164 A165 D202 T203	S117-M168 VanDerWaalsContact CB-SD 3.57Å; E119-M168 HydrophobicContact CB-CE 4.08Å; F154-M168 HydrophobicContact CD2-CE 3.72Å; F154-M168 HydrophobicContact CE2-CE 3.6Å; I157-M168 HydrophobicContact CD1-CE 4.26Å; I157-M168 HydrophobicContact CD1-SD 3.74Å; Y164-M168 HydrophobicContact CD1-CG 4.31Å; Y164-M168 HydrophobicContact CD2-CG 4.08Å; Y164-M168 HydrophobicContact CD2-SD 4.49Å; Y164-M168 HydrophobicContact CE1-CB 4.43Å; Y164-M168 HydrophobicContact CE1-CG 3.56Å; Y164-M168 HydrophobicContact CE2-CB 4.44Å; Y164-M168 HydrophobicContact CE2-CE 4.48Å; Y164-M168 HydrophobicContact CE2-CG 3.32Å; Y164-M168 HydrophobicContact CE2-SD 4.16Å; Y164-M168 VanDerWaalsContact OH-CB 3.3Å; Y164-M168 WeakPolarHBondContact OH-CB 3.33Å; Y164-M168 WeakPolarHBondContact OH-CG 3.47Å; A165-M168 HydrophobicContact CB-SD 4.09Å; M168-D202 WeakPolarHBondContact CB-OD1 3.28Å; M168-D202 PolarHBondContact N-OD1 2.69Å; M168-D202 CarbonylContact O-C 3.57Å; M168-D202 WeakPolarHBondContact O-CA 3.14Å; M168-T203 PolarHBondContact O-N 3.27Å
169	L	96.8	Very high	77.2	Confident	0 Å²	0	63 Å²	63	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.4	173.7	-57.9	100.7	0	0	0	109.9	F116 S117 I118 E119 I134 F138 I167 T203 F205 L231	F116-L169 HydrophobicContact CB-CD1 4.14Å; F116-L169 HydrophobicContact CD2-CD1 3.92Å; F116-L169 HydrophobicContact CG-CD1 4.46Å; S117-L169 PolarHBondContact O-N 2.94Å; I118-L169 HydrophobicContact CG1-CD1 4.33Å; E119-L169 WeakPolarHBondContact CB-O 3.45Å; E119-L169 PolarHBondContact N-O 3.08Å; I134-L169 HydrophobicContact CD1-CD2 4.29Å; I134-L169 HydrophobicContact CG1-CD2 4.37Å; I134-L169 HydrophobicContact CG2-CD1 4.26Å; I134-L169 HydrophobicContact CG2-CD2 3.66Å; F138-L169 HydrophobicContact CE2-CD1 3.88Å; F138-L169 HydrophobicContact CE2-CD2 4.38Å; F138-L169 HydrophobicContact CZ-CD1 4.06Å; I167-L169 HydrophobicContact CG2-CD1 3.9Å; I167-L169 HydrophobicContact CG2-CG 4.17Å; L169-T203 WeakPolarHBondContact CA-O 3.49Å; L169-T203 HydrophobicContact CD2-CG2 4.48Å; L169-F205 HydrophobicContact CB-CE2 4.44Å; L169-F205 HydrophobicContact CD2-CE2 4Å; L169-F205 HydrophobicContact CD2-CZ 4.36Å; L169-L231 HydrophobicContact CD2-CD2 4.3Å
170	S	93.1	Very high	77.2	Confident	13 Å²	13	61.6 Å²	61.6	9%	0.091	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.8	179.1	70	0	0	0	0	111.8	T203 H204 F205	S170-T203 PolarHBondContact N-O 2.82Å; S170-T203 VanDerWaalsContact N-O 3.08Å; S170-H204 CarbonylContact O-C 3.55Å; S170-H204 WeakPolarHBondContact O-CA 3.36Å; S170-H204 PolarHBondContact OG-CD2 2.95Å; S170-F205 PolarHBondContact O-N 3.34Å
171	F	94.1	Very high	77.1	Confident	1 Å²	1	59.8 Å²	59.8	0%	0.004	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.5	172.8	-68.8	-100	0	0	0	107.5	N120 T122 T130 I134 F205 L207 V223	N120-F171 PolarHBondContact ND2-O 3.24Å; N120-F171 WeakPolarHBondContact OD1-CB 3.16Å; N120-F171 PolarHBondContact OD1-N 2.82Å; N120-F171 PolarHBondContact OD1-O 3.37Å; T122-F171 HydrophobicContact CG2-CD1 4.15Å; T122-F171 HydrophobicContact CG2-CE1 3.81Å; T122-F171 HydrophobicContact CG2-CZ 4.36Å; T130-F171 HydrophobicContact CG2-CD2 4.38Å; T130-F171 HydrophobicContact CG2-CE1 4.4Å; T130-F171 HydrophobicContact CG2-CE2 3.4Å; T130-F171 HydrophobicContact CG2-CZ 3.42Å; T130-F171 VanDerWaalsContact CG2-CZ 3.42Å; I134-F171 HydrophobicContact CD1-CE2 3.98Å; I134-F171 HydrophobicContact CD1-CZ 4.32Å; F171-F205 VanDerWaalsContact CA-O 3.32Å; F171-F205 WeakPolarHBondContact CA-O 3.48Å; F171-F205 HydrophobicContact CD1-CB 3.4Å; F171-F205 VanDerWaalsContact CD1-CB 3.4Å; F171-F205 HydrophobicContact CD1-CD2 4.45Å; F171-F205 HydrophobicContact CD1-CG 4.11Å; F171-F205 HydrophobicContact CD2-CD2 4.4Å; F171-F205 HydrophobicContact CE1-CB 3.47Å; F171-F205 VanDerWaalsContact CE1-CB 3.47Å; F171-F205 HydrophobicContact CE1-CD1 4.28Å; F171-F205 HydrophobicContact CE1-CD2 4.09Å; F171-F205 AromaticContact CE1-CG 3.71Å; F171-F205 HydrophobicContact CE1-CG 3.71Å; F171-F205 HydrophobicContact CE2-CD2 4.03Å; F171-F205 HydrophobicContact CE2-CG 4.48Å; F171-F205 HydrophobicContact CG-CB 4.01Å; F171-F205 HydrophobicContact CZ-CB 4.14Å; F171-F205 HydrophobicContact CZ-CD1 4.46Å; F171-F205 AromaticContact CZ-CD2 3.86Å; F171-F205 HydrophobicContact CZ-CD2 3.86Å; F171-F205 HydrophobicContact CZ-CE2 4.38Å; F171-F205 AromaticContact CZ-CG 3.91Å; F171-F205 HydrophobicContact CZ-CG 3.91Å; F171-L207 HydrophobicContact CB-CD1 4.37Å; F171-L207 HydrophobicContact CB-CD2 3.55Å; F171-L207 HydrophobicContact CB-CG 3.68Å; F171-L207 HydrophobicContact CD1-CD2 4.4Å; F171-L207 HydrophobicContact CG-CD2 4.36Å; F171-L207 WeakPolarHBondContact O-CD1 3.27Å; F171-V223 HydrophobicContact CZ-CG1 4.14Å
172	A	83.2	Confident	78.3	Confident	19 Å²	19	53.5 Å²	53.5	16%	0.157	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	161.8	-178.6	0	0	0	0	0	112	H176 F182 F205 D206 L207	A172-H176 HydrophobicContact CB-CB 3.28Å; A172-F182 WeakPolarHBondContact O-CD2 3.3Å; A172-F205 PolarHBondContact N-O 3.41Å; A172-D206 CarbonylContact O-C 3.56Å; A172-D206 WeakPolarHBondContact O-CA 3.47Å; A172-L207 PolarHBondContact O-N 2.8Å
173	D	80.8	Confident	78.9	Confident	90 Å²	90	49.9 Å²	49.9	48%	0.481	29%	0.285	S	S	.	.			trans	-111.6	145.8	174.8	-69.3	-61.1	0	0	0	109.9	F175 L207 A208	D173-F175 PolarHBondContact O-N 3.28Å; D173-L207 HydrophobicContact CB-CB 4.49Å; D173-L207 VanDerWaalsContact OD1-C 3.31Å; D173-L207 WeakPolarHBondContact OD1-CB 3.27Å; D173-L207 WeakPolarHBondContact OD2-CB 3.3Å; D173-A208 PolarHBondContact OD1-N 2.86Å
174	G	76.4	Confident	79.4	Confident	29 Å²	29	45.1 Å²	45.1	30%	0.299	27%	0.27	S	S	.	.	S	Bend	trans	55.1	-131.2	172.8	0	0	0	0	0	113.5	H176 P181 F182	G174-H176 PolarHBondContact O-N 2.71Å; G174-H176 PolarHBondContact O-ND1 3.46Å; G174-P181 WeakPolarHBondContact O-CA 3.35Å; G174-F182 PolarHBondContact O-N 2.72Å
175	F	67.4	Low	79.7	Confident	158 Å²	158	46.9 Å²	46.9	69%	0.693	28%	0.283	S	S	*	.			trans	-76.9	120.6	176.1	179.1	-99.2	0	0	0	111.1	D173 D178 P181	D173-F175 PolarHBondContact O-N 3.28Å; F175-D178 VanDerWaalsContact CE2-O 3.24Å; F175-D178 WeakPolarHBondContact CE2-O 3.43Å; F175-P181 HydrophobicContact CB-CB 4.39Å
176	H	73.1	Confident	78.9	Confident	36 Å²	36	48.4 Å²	48.4	17%	0.167	30%	0.299	C	S	.	.			trans	-133	29.4	-168.3	55.6	-89.2	0	0	0	114	A172 G174 D178 T180 F182 H191 H204	A172-H176 HydrophobicContact CB-CB 3.28Å; G174-H176 PolarHBondContact O-N 2.71Å; G174-H176 PolarHBondContact O-ND1 3.46Å; H176-D178 IonicContact CE1-OD1 3.14Å; H176-D178 IonicContact NE2-OD1 3.89Å; H176-D178 PolarHBondContact NE2-OD1 3.3Å; H176-D178 IonicContact NE2-OD2 3.72Å; H176-T180 PolarHBondContact CE1-O 2.85Å; H176-F182 AromaticContact CE1-CD2 3.25Å; H176-F182 WeakPolarHBondContact CE1-CD2 3.49Å; H176-F182 AromaticContact CE1-CE2 3.23Å; H176-F182 WeakPolarHBondContact CE1-CE2 3.26Å; H176-F182 AromaticContact CE1-CG 3.83Å; H176-F182 AromaticContact CE1-CZ 3.79Å; H176-F182 AromaticContact ND1-CD2 3.34Å; H176-F182 VanDerWaalsContact ND1-CD2 3.34Å; H176-F182 WeakPolarHBondContact ND1-CD2 3.37Å; H176-F182 AromaticContact ND1-CE2 3.62Å; H176-F182 AromaticContact NE2-CE2 3.59Å; H176-F182 AromaticContact NE2-CZ 3.98Å; H176-H191 AromaticContact CE1-CE1 3.76Å; H176-H191 AromaticContact NE2-CE1 3.41Å; H176-H191 PolarHBondContact NE2-CE1 3.2Å; H176-H191 AromaticContact NE2-NE2 3.55Å; H176-H204 AromaticContact CD2-CG 3.88Å; H176-H204 AromaticContact CD2-ND1 3.32Å; H176-H204 PolarHBondContact CD2-ND1 3.12Å; H176-H204 VanDerWaalsContact CD2-ND1 3.32Å; H176-H204 AromaticContact NE2-CG 3.83Å; H176-H204 AromaticContact NE2-ND1 3.25Å; H176-H204 PolarHBondContact NE2-ND1 2.99Å
177	G	57.6	Low	78.4	Confident	69 Å²	69	47.5 Å²	47.5	71%	0.711	30%	0.3	S	S	*	.	S	Bend	trans	98	1.7	170.8	0	0	0	0	0	115.5
178	D	68.8	Low	78	Confident	18 Å²	18	47.8 Å²	47.8	10%	0.096	30%	0.301	C	S	.	.	S	Bend	trans	-125.7	-177.1	173.4	76.4	16.7	0	0	0	112.9	F175 H176 T180 H191 Y193 H204	F175-D178 VanDerWaalsContact CE2-O 3.24Å; F175-D178 WeakPolarHBondContact CE2-O 3.43Å; H176-D178 IonicContact CE1-OD1 3.14Å; H176-D178 IonicContact NE2-OD1 3.89Å; H176-D178 PolarHBondContact NE2-OD1 3.3Å; H176-D178 IonicContact NE2-OD2 3.72Å; D178-T180 PolarHBondContact O-N 3.29Å; D178-T180 WeakPolarHBondContact OD1-CA 3.46Å; D178-T180 PolarHBondContact OD1-N 3.34Å; D178-T180 PolarHBondContact OD1-OG1 2.82Å; D178-T180 PolarHBondContact OD2-OG1 2.95Å; D178-H191 IonicContact OD2-CE1 3.64Å; D178-H191 IonicContact OD2-NE2 3.31Å; D178-H191 PolarHBondContact OD2-NE2 2.74Å; D178-Y193 VanDerWaalsContact CB-OH 3.24Å; D178-Y193 WeakPolarHBondContact CB-OH 3.26Å; D178-Y193 WeakPolarHBondContact OD2-CE2 3.5Å; D178-Y193 PolarHBondContact OD2-OH 3.43Å; D178-H204 IonicContact OD2-CE1 3.15Å; D178-H204 PolarHBondContact OD2-CE1 2.94Å; D178-H204 VanDerWaalsContact OD2-CE1 3.26Å; D178-H204 IonicContact OD2-ND1 3.5Å; D178-H204 PolarHBondContact OD2-ND1 2.9Å
179	S	63.1	Low	78.1	Confident	109 Å²	109	47.6 Å²	47.6	76%	0.762	30%	0.3	S	S	*	.	S	Bend	trans	-81.2	5.8	-177	54.6	0	0	0	0	114.8	P181	S179-P181 WeakPolarHBondContact O-CD 3.24Å
180	T	67.9	Low	78	Confident	51 Å²	51	47.6 Å²	47.6	31%	0.313	30%	0.3	S	S	.	.			trans	-127.8	71.9	-169	33.4	0	0	0	0	110.6	H176 D178 H191 Y193	H176-T180 PolarHBondContact CE1-O 2.85Å; D178-T180 PolarHBondContact O-N 3.29Å; D178-T180 WeakPolarHBondContact OD1-CA 3.46Å; D178-T180 PolarHBondContact OD1-N 3.34Å; D178-T180 PolarHBondContact OD1-OG1 2.82Å; D178-T180 PolarHBondContact OD2-OG1 2.95Å; T180-H191 VanDerWaalsContact CB-CE1 3.44Å; T180-H191 WeakPolarHBondContact CB-CE1 3.48Å; T180-H191 PolarHBondContact O-CE1 3.18Å; T180-H191 VanDerWaalsContact O-CE1 3.27Å; T180-H191 PolarHBondContact OG1-CE1 3.48Å; T180-H191 PolarHBondContact OG1-NE2 3.24Å; T180-Y193 PolarHBondContact OG1-OH 2.85Å
181	P	71.3	Confident	77.8	Confident	69 Å²	69	47.3 Å²	47.3	45%	0.448	30%	0.297	S	S	.	.			trans	-65	140.9	-179.5	28.2	-35	0	0	0	111.9	G174 F175 S179 F188	G174-P181 WeakPolarHBondContact O-CA 3.35Å; F175-P181 HydrophobicContact CB-CB 4.39Å; S179-P181 WeakPolarHBondContact O-CD 3.24Å; P181-F188 WeakPolarHBondContact O-CZ 3.4Å
182	F	79.4	Confident	77.7	Confident	13 Å²	13	47.6 Å²	47.6	6%	0.057	30%	0.3	C	S	.	.			trans	-68.3	148.1	175.2	-75.6	-51.4	0	0	0	112.5	A172 G174 H176 F188 H204 D206	A172-F182 WeakPolarHBondContact O-CD2 3.3Å; G174-F182 PolarHBondContact O-N 2.72Å; H176-F182 AromaticContact CE1-CD2 3.25Å; H176-F182 WeakPolarHBondContact CE1-CD2 3.49Å; H176-F182 AromaticContact CE1-CE2 3.23Å; H176-F182 WeakPolarHBondContact CE1-CE2 3.26Å; H176-F182 AromaticContact CE1-CG 3.83Å; H176-F182 AromaticContact CE1-CZ 3.79Å; H176-F182 AromaticContact ND1-CD2 3.34Å; H176-F182 VanDerWaalsContact ND1-CD2 3.34Å; H176-F182 WeakPolarHBondContact ND1-CD2 3.37Å; H176-F182 AromaticContact ND1-CE2 3.62Å; H176-F182 AromaticContact NE2-CE2 3.59Å; H176-F182 AromaticContact NE2-CZ 3.98Å; F182-F188 HydrophobicContact CD1-CD2 4Å; F182-F188 HydrophobicContact CD1-CE1 4.39Å; F182-F188 AromaticContact CD1-CE2 3.31Å; F182-F188 HydrophobicContact CD1-CE2 3.31Å; F182-F188 AromaticContact CD1-CZ 3.57Å; F182-F188 HydrophobicContact CD1-CZ 3.57Å; F182-F188 AromaticContact CE1-CD2 3.98Å; F182-F188 HydrophobicContact CE1-CD2 3.98Å; F182-F188 AromaticContact CE1-CE2 3.42Å; F182-F188 HydrophobicContact CE1-CE2 3.42Å; F182-F188 VanDerWaalsContact CE1-CE2 3.42Å; F182-F188 HydrophobicContact CE1-CZ 4.15Å; F182-F188 HydrophobicContact CG-CE2 4.49Å; F182-F188 HydrophobicContact CG-CZ 4.45Å; F182-H204 HydrophobicContact CE2-CB 4.11Å; F182-H204 HydrophobicContact CZ-CB 3.79Å; F182-D206 HydrophobicContact CB-CB 4.24Å; F182-D206 WeakPolarHBondContact CB-OD2 3.47Å; F182-D206 HydrophobicContact CD1-CB 3.51Å; F182-D206 HydrophobicContact CD2-CB 4.03Å; F182-D206 HydrophobicContact CE1-CB 3.83Å; F182-D206 HydrophobicContact CE2-CB 4.3Å; F182-D206 HydrophobicContact CG-CB 3.66Å; F182-D206 HydrophobicContact CZ-CB 4.23Å
183	D	77.2	Confident	77.6	Confident	84 Å²	84	49 Å²	49	45%	0.449	30%	0.302	S	S	.	.			trans	-97	-0.2	-175.6	47.4	8.2	0	0	0	114.7	K31 F188	K31-D183 IonicContact NZ-OD2 3Å; K31-D183 PolarHBondContact NZ-OD2 3.11Å; K31-D183 VanDerWaalsContact NZ-OD2 3.11Å; D183-F188 HydrophobicContact CB-CE1 4.28Å; D183-F188 VanDerWaalsContact CG-CD1 3.47Å; D183-F188 WeakPolarHBondContact OD1-CD1 3.45Å; D183-F188 WeakPolarHBondContact OD1-CE1 3.39Å; D183-F188 PolarHBondContact OD1-N 3.38Å; D183-F188 VanDerWaalsContact OD2-CD1 3.3Å; D183-F188 WeakPolarHBondContact OD2-CD1 3.49Å
184	G	80.8	Confident	77.8	Confident	22 Å²	22	46 Å²	46	23%	0.227	28%	0.284	C	S	.	.	S	Bend	trans	95.6	-156.4	177.1	0	0	0	0	0	111.4	G186 D206 A208	G184-G186 PolarHBondContact O-N 3.35Å; G184-G186 VanDerWaalsContact O-N 3.15Å; G184-D206 PolarHBondContact N-OD2 3.08Å; G184-D206 VanDerWaalsContact O-OD2 3.08Å; G184-A208 VanDerWaalsContact C-CB 3.46Å
185	E	83.3	Confident	78.3	Confident	153 Å²	153	44.7 Å²	44.7	72%	0.715	27%	0.27	S	S	*	.	S	Bend	trans	-68	118.4	-175.9	-170.7	179.1	170.1	0	0	111.7
186	G	70.5	Confident	78.8	Confident	33 Å²	33	38.6 Å²	38.6	34%	0.34	25%	0.252	S	S	.	.	S	Bend	trans	80.8	144.8	-178	0	0	0	0	0	111.7	G184 E209	G184-G186 PolarHBondContact O-N 3.35Å; G184-G186 VanDerWaalsContact O-N 3.15Å; G186-E209 VanDerWaalsContact CA-OE1 3.24Å; G186-E209 WeakPolarHBondContact CA-OE1 3.43Å; G186-E209 PolarHBondContact N-OE1 3.11Å; G186-E209 PolarHBondContact N-OE2 2.77Å
187	G	78.9	Confident	78.7	Confident	24 Å²	24	44.7 Å²	44.7	25%	0.247	29%	0.286	C	S	.	.	S	Bend	trans	123.7	-116.7	-172	0	0	0	0	0	109.4	P81 R82	P81-G187 WeakPolarHBondContact CA-O 3.21Å; R82-G187 PolarHBondContact N-O 3.35Å; R82-G187 VanDerWaalsContact N-O 3.08Å
188	F	84.6	Confident	79.4	Confident	5 Å²	5	44.1 Å²	44.1	2%	0.022	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-106.7	128.1	174.7	74.2	-77.2	0	0	0	112.6	R82 P181 F182 D183 H191	R82-F188 HydrophobicContact CG-CB 4.49Å; R82-F188 CarbonylContact O-C 3.53Å; R82-F188 WeakPolarHBondContact O-CA 3.48Å; P181-F188 WeakPolarHBondContact O-CZ 3.4Å; F182-F188 HydrophobicContact CD1-CD2 4Å; F182-F188 HydrophobicContact CD1-CE1 4.39Å; F182-F188 AromaticContact CD1-CE2 3.31Å; F182-F188 HydrophobicContact CD1-CE2 3.31Å; F182-F188 AromaticContact CD1-CZ 3.57Å; F182-F188 HydrophobicContact CD1-CZ 3.57Å; F182-F188 AromaticContact CE1-CD2 3.98Å; F182-F188 HydrophobicContact CE1-CD2 3.98Å; F182-F188 AromaticContact CE1-CE2 3.42Å; F182-F188 HydrophobicContact CE1-CE2 3.42Å; F182-F188 VanDerWaalsContact CE1-CE2 3.42Å; F182-F188 HydrophobicContact CE1-CZ 4.15Å; F182-F188 HydrophobicContact CG-CE2 4.49Å; F182-F188 HydrophobicContact CG-CZ 4.45Å; D183-F188 HydrophobicContact CB-CE1 4.28Å; D183-F188 VanDerWaalsContact CG-CD1 3.47Å; D183-F188 WeakPolarHBondContact OD1-CD1 3.45Å; D183-F188 WeakPolarHBondContact OD1-CE1 3.39Å; D183-F188 PolarHBondContact OD1-N 3.38Å; D183-F188 VanDerWaalsContact OD2-CD1 3.3Å; D183-F188 WeakPolarHBondContact OD2-CD1 3.49Å; F188-H191 AromaticContact CE2-ND1 3.6Å
189	L	93	Very high	79.4	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	30%	0.299	C	S	.	.			trans	-77	-34.1	-165.5	-58.6	-175.5	0	0	0	113.6	P81 R82 D206 E209 W211 N221 V226 Y251	P81-L189 HydrophobicContact CB-CD1 4.13Å; P81-L189 HydrophobicContact CB-CD2 3.7Å; P81-L189 HydrophobicContact CB-CG 4.02Å; R82-L189 PolarHBondContact O-N 3.33Å; L189-D206 WeakPolarHBondContact O-CB 3.18Å; L189-D206 PolarHBondContact O-N 2.67Å; L189-E209 HydrophobicContact CD2-CG 3.74Å; L189-E209 WeakPolarHBondContact CD2-OE1 3.35Å; L189-E209 WeakPolarHBondContact CD2-OE2 3.28Å; L189-W211 HydrophobicContact CB-CH2 4.33Å; L189-W211 WeakPolarHBondContact O-CZ2 3.13Å; L189-N221 HydrophobicContact CD1-CB 4.16Å; L189-N221 HydrophobicContact CD2-CB 4.32Å; L189-N221 VanDerWaalsContact CD2-CG 3.47Å; L189-N221 WeakPolarHBondContact CD2-ND2 3.32Å; L189-V226 HydrophobicContact CB-CG1 4.33Å; L189-V226 HydrophobicContact CB-CG2 4.49Å; L189-V226 HydrophobicContact CD1-CG2 3.81Å; L189-Y251 HydrophobicContact CD1-CD2 3.73Å; L189-Y251 HydrophobicContact CD1-CG 3.68Å
190	A	94.4	Very high	80	Confident	0 Å²	0	43 Å²	43	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	167.3	-171.8	0	0	0	0	0	108.6	G84 H204 F205 V226 E230	G84-A190 PolarHBondContact N-O 3.25Å; A190-H204 CarbonylContact C-O 3.56Å; A190-H204 WeakPolarHBondContact CA-O 3.19Å; A190-H204 WeakPolarHBondContact CB-O 3.31Å; A190-F205 HydrophobicContact CB-CD1 3.82Å; A190-F205 HydrophobicContact CB-CE1 4.36Å; A190-F205 HydrophobicContact CB-CG 4.33Å; A190-V226 HydrophobicContact CB-CG1 3.58Å; A190-E230 HydrophobicContact CB-CG 3.57Å
191	H	88.7	Confident	80.7	Confident	7 Å²	7	40.5 Å²	40.5	3%	0.032	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	159.7	164.3	59.5	-126.1	0	0	0	110.4	V85 H176 D178 T180 F188 H204 E230	V85-H191 HydrophobicContact CG2-CB 4.07Å; H176-H191 AromaticContact CE1-CE1 3.76Å; H176-H191 AromaticContact NE2-CE1 3.41Å; H176-H191 PolarHBondContact NE2-CE1 3.2Å; H176-H191 AromaticContact NE2-NE2 3.55Å; D178-H191 IonicContact OD2-CE1 3.64Å; D178-H191 IonicContact OD2-NE2 3.31Å; D178-H191 PolarHBondContact OD2-NE2 2.74Å; T180-H191 VanDerWaalsContact CB-CE1 3.44Å; T180-H191 WeakPolarHBondContact CB-CE1 3.48Å; T180-H191 PolarHBondContact O-CE1 3.18Å; T180-H191 VanDerWaalsContact O-CE1 3.27Å; T180-H191 PolarHBondContact OG1-CE1 3.48Å; T180-H191 PolarHBondContact OG1-NE2 3.24Å; F188-H191 AromaticContact CE2-ND1 3.6Å; H191-H204 AromaticContact CD2-ND1 3.98Å; H191-H204 PolarHBondContact N-O 3.22Å; H191-H204 AromaticContact NE2-CG 3.78Å; H191-H204 AromaticContact NE2-ND1 3.24Å; H191-H204 PolarHBondContact NE2-ND1 3.35Å; H191-H204 PolarHBondContact O-N 3.46Å; H191-E230 VanDerWaalsContact CA-OE2 3.24Å; H191-E230 WeakPolarHBondContact CA-OE2 3.26Å
192	A	91.9	Very high	81.4	Confident	7 Å²	7	37.4 Å²	37.4	6%	0.058	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.6	171.8	0	0	0	0	0	112.2	V85 D202 T203 E230 H233	V85-A192 WeakPolarHBondContact CG2-O 3.09Å; A192-D202 CarbonylContact C-O 3.55Å; A192-D202 WeakPolarHBondContact CA-O 3.38Å; A192-T203 HydrophobicContact CB-CG2 4.22Å; A192-E230 HydrophobicContact CB-CB 3.97Å; A192-E230 VanDerWaalsContact CB-O 3.26Å; A192-E230 WeakPolarHBondContact CB-O 3.24Å; A192-E230 PolarHBondContact N-OE2 3.35Å; A192-E230 VanDerWaalsContact N-OE2 3.15Å; A192-H233 HydrophobicContact CB-CB 3.86Å
193	Y	80.8	Confident	82.1	Confident	49 Å²	49	36.8 Å²	36.8	19%	0.192	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-85.9	142.9	171.7	-68.5	-85.7	0	0	0	110.3	D178 T180 I199 G201 D202 A234	D178-Y193 VanDerWaalsContact CB-OH 3.24Å; D178-Y193 WeakPolarHBondContact CB-OH 3.26Å; D178-Y193 WeakPolarHBondContact OD2-CE2 3.5Å; D178-Y193 PolarHBondContact OD2-OH 3.43Å; T180-Y193 PolarHBondContact OG1-OH 2.85Å; Y193-I199 VanDerWaalsContact CB-O 3.24Å; Y193-I199 WeakPolarHBondContact CB-O 3.32Å; Y193-I199 HydrophobicContact CD1-CD1 3.97Å; Y193-I199 HydrophobicContact CD1-CG1 4.34Å; Y193-I199 HydrophobicContact CD2-CD1 4.46Å; Y193-I199 HydrophobicContact CE1-CD1 3.68Å; Y193-I199 HydrophobicContact CE2-CD1 4.22Å; Y193-I199 HydrophobicContact CG-CD1 4.36Å; Y193-I199 HydrophobicContact CG-CG1 4.4Å; Y193-G201 WeakPolarHBondContact O-CA 3.12Å; Y193-G201 PolarHBondContact O-N 2.8Å; Y193-G201 VanDerWaalsContact O-N 3.07Å; Y193-D202 HydrophobicContact CD2-CB 4.18Å; Y193-D202 PolarHBondContact N-O 2.99Å; Y193-A234 WeakPolarHBondContact O-CA 3.5Å
194	F	85.5	Confident	82.8	Confident	25 Å²	25	33.7 Å²	33.7	11%	0.11	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-63.7	159.5	173.1	-67.9	-77.6	0	0	0	112.2	V85 F89 Q105 L107 G196 G200 G201 H233 L237 E238	V85-F194 HydrophobicContact CG1-CE2 4.4Å; V85-F194 HydrophobicContact CG1-CZ 4.39Å; F89-F194 HydrophobicContact CD1-CE2 4.45Å; F89-F194 AromaticContact CE1-CE2 3.62Å; F89-F194 HydrophobicContact CE1-CE2 3.62Å; F89-F194 HydrophobicContact CE1-CZ 4.22Å; F89-F194 HydrophobicContact CE2-CE2 4.06Å; F89-F194 AromaticContact CE2-CZ 3.81Å; F89-F194 HydrophobicContact CE2-CZ 3.81Å; F89-F194 AromaticContact CZ-CE2 3.39Å; F89-F194 HydrophobicContact CZ-CE2 3.39Å; F89-F194 AromaticContact CZ-CZ 3.52Å; F89-F194 HydrophobicContact CZ-CZ 3.52Å; Q105-F194 HydrophobicContact CB-CD1 3.79Å; Q105-F194 HydrophobicContact CB-CE1 3.61Å; Q105-F194 HydrophobicContact CB-CE2 4.48Å; Q105-F194 HydrophobicContact CB-CG 4.27Å; Q105-F194 HydrophobicContact CB-CZ 4Å; Q105-F194 HydrophobicContact CG-CD1 4.13Å; Q105-F194 HydrophobicContact CG-CD2 4.08Å; Q105-F194 HydrophobicContact CG-CE1 4.1Å; Q105-F194 HydrophobicContact CG-CE2 4.09Å; Q105-F194 HydrophobicContact CG-CG 4.1Å; Q105-F194 HydrophobicContact CG-CZ 4.09Å; L107-F194 HydrophobicContact CD1-CB 4.1Å; F194-G196 PolarHBondContact O-N 2.89Å; F194-G200 CarbonylContact O-C 3.6Å; F194-G200 WeakPolarHBondContact O-CA 3.19Å; F194-G201 PolarHBondContact O-N 3.36Å; F194-H233 WeakPolarHBondContact CD1-O 3.4Å; F194-L237 VanDerWaalsContact CE1-O 3.25Å; F194-L237 WeakPolarHBondContact CE1-O 3.24Å; F194-E238 HydrophobicContact CE1-CG 4.09Å; F194-E238 HydrophobicContact CZ-CG 4.03Å
195	P	87	Confident	83.5	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.019	20%	0.2	C	C	.	.	S	Bend	trans	-48.8	131.5	177.8	-27	30.8	0	0	0	113	L107 W109 A234	L107-P195 HydrophobicContact CB-CB 4.37Å; L107-P195 WeakPolarHBondContact CB-O 3.33Å; L107-P195 WeakPolarHBondContact CD1-O 3.3Å; W109-P195 HydrophobicContact CD2-CB 3.95Å; W109-P195 HydrophobicContact CE3-CB 4.46Å; W109-P195 HydrophobicContact CG-CB 4.18Å; W109-P195 HydrophobicContact CZ2-CB 4.28Å; P195-A234 WeakPolarHBondContact CG-O 3.33Å
196	G	77.1	Confident	84.1	Confident	30 Å²	30	25.4 Å²	25.4	31%	0.309	17%	0.166	S	C	.	.			trans	179.2	-175.6	-178.8	0	0	0	0	0	113.2	W109 F194	W109-G196 WeakPolarHBondContact CH2-O 3.49Å; W109-G196 WeakPolarHBondContact CZ3-O 3.34Å; F194-G196 PolarHBondContact O-N 2.89Å
197	N	70.1	Confident	85.1	Confident	163 Å²	163	25.5 Å²	25.5	87%	0.872	16%	0.159	S	C	*	.	S	Bend	trans	-85.4	155.9	174.1	-65.5	-19.2	0	0	0	110.5	I199 G200	N197-I199 PolarHBondContact O-N 3.31Å; N197-G200 PolarHBondContact O-N 3.14Å
198	G	73.9	Confident	85.6	Confident	58 Å²	58	25.4 Å²	25.4	60%	0.598	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	-118.4	179.9	0	0	0	0	0	110.1	Y164 G200	Y164-G198 WeakPolarHBondContact CE1-O 3.23Å; G198-G200 PolarHBondContact O-N 2.93Å
199	I	68.1	Low	86	Confident	94 Å²	94	25.3 Å²	25.3	48%	0.482	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-2.2	-178.7	66.8	173.5	0	0	0	114.4	Y193 N197 G201 D202	Y193-I199 VanDerWaalsContact CB-O 3.24Å; Y193-I199 WeakPolarHBondContact CB-O 3.32Å; Y193-I199 HydrophobicContact CD1-CD1 3.97Å; Y193-I199 HydrophobicContact CD1-CG1 4.34Å; Y193-I199 HydrophobicContact CD2-CD1 4.46Å; Y193-I199 HydrophobicContact CE1-CD1 3.68Å; Y193-I199 HydrophobicContact CE2-CD1 4.22Å; Y193-I199 HydrophobicContact CG-CD1 4.36Å; Y193-I199 HydrophobicContact CG-CG1 4.4Å; N197-I199 PolarHBondContact O-N 3.31Å; I199-G201 PolarHBondContact O-N 3.31Å; I199-D202 WeakPolarHBondContact CA-OD2 3.33Å; I199-D202 WeakPolarHBondContact CB-OD2 3.23Å; I199-D202 WeakPolarHBondContact O-CB 3.42Å; I199-D202 PolarHBondContact O-N 2.82Å; I199-D202 VanDerWaalsContact O-N 3.08Å
200	G	75.9	Confident	85.9	Confident	8 Å²	8	27.3 Å²	27.3	8%	0.082	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	123.2	-178.6	0	0	0	0	0	110.9	W109 F194 N197 G198	W109-G200 VanDerWaalsContact CH2-O 3.26Å; W109-G200 WeakPolarHBondContact CH2-O 3.47Å; F194-G200 CarbonylContact O-C 3.6Å; F194-G200 WeakPolarHBondContact O-CA 3.19Å; N197-G200 PolarHBondContact O-N 3.14Å; G198-G200 PolarHBondContact O-N 2.93Å
201	G	81.9	Confident	85.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.3	-21.2	-173	0	0	0	0	0	114.1	I167 Y193 F194 I199 T203 A234	I167-G201 WeakPolarHBondContact CG2-O 3.48Å; Y193-G201 WeakPolarHBondContact O-CA 3.12Å; Y193-G201 PolarHBondContact O-N 2.8Å; Y193-G201 VanDerWaalsContact O-N 3.07Å; F194-G201 PolarHBondContact O-N 3.36Å; I199-G201 PolarHBondContact O-N 3.31Å; G201-T203 PolarHBondContact O-OG1 3.07Å; G201-A234 WeakPolarHBondContact O-CB 3.43Å
202	D	85.9	Confident	86.1	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.016	17%	0.174	C	C	.	.			trans	-61.1	142.6	-176.2	-66.8	-14.8	0	0	0	111.8	Y164 M168 A192 Y193 I199	Y164-D202 PolarHBondContact OH-OD1 2.99Å; Y164-D202 VanDerWaalsContact OH-OD1 3.05Å; Y164-D202 PolarHBondContact OH-OD2 3.45Å; M168-D202 WeakPolarHBondContact CB-OD1 3.28Å; M168-D202 PolarHBondContact N-OD1 2.69Å; M168-D202 CarbonylContact O-C 3.57Å; M168-D202 WeakPolarHBondContact O-CA 3.14Å; A192-D202 CarbonylContact C-O 3.55Å; A192-D202 WeakPolarHBondContact CA-O 3.38Å; Y193-D202 HydrophobicContact CD2-CB 4.18Å; Y193-D202 PolarHBondContact N-O 2.99Å; I199-D202 WeakPolarHBondContact CA-OD2 3.33Å; I199-D202 WeakPolarHBondContact CB-OD2 3.23Å; I199-D202 WeakPolarHBondContact O-CB 3.42Å; I199-D202 PolarHBondContact O-N 2.82Å; I199-D202 VanDerWaalsContact O-N 3.08Å
203	T	95.3	Very high	85.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.2	-175.9	-58.5	0	0	0	0	109.6	M168 L169 S170 A192 G201 F205 E230	M168-T203 PolarHBondContact O-N 3.27Å; L169-T203 WeakPolarHBondContact CA-O 3.49Å; L169-T203 HydrophobicContact CD2-CG2 4.48Å; S170-T203 PolarHBondContact N-O 2.82Å; S170-T203 VanDerWaalsContact N-O 3.08Å; A192-T203 HydrophobicContact CB-CG2 4.22Å; G201-T203 PolarHBondContact O-OG1 3.07Å; T203-F205 HydrophobicContact CG2-CD2 4.29Å; T203-F205 HydrophobicContact CG2-CE1 4.43Å; T203-F205 HydrophobicContact CG2-CE2 3.56Å; T203-F205 HydrophobicContact CG2-CZ 3.63Å; T203-E230 HydrophobicContact CG2-CB 3.41Å; T203-E230 VanDerWaalsContact CG2-CB 3.41Å; T203-E230 HydrophobicContact CG2-CG 4.03Å
204	H	91.2	Very high	85.7	Confident	20 Å²	20	29.1 Å²	29.1	9%	0.093	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.7	-179.3	-57.1	160.3	0	0	0	110.1	S170 H176 D178 F182 A190 H191	S170-H204 CarbonylContact O-C 3.55Å; S170-H204 WeakPolarHBondContact O-CA 3.36Å; S170-H204 PolarHBondContact OG-CD2 2.95Å; H176-H204 AromaticContact CD2-CG 3.88Å; H176-H204 AromaticContact CD2-ND1 3.32Å; H176-H204 PolarHBondContact CD2-ND1 3.12Å; H176-H204 VanDerWaalsContact CD2-ND1 3.32Å; H176-H204 AromaticContact NE2-CG 3.83Å; H176-H204 AromaticContact NE2-ND1 3.25Å; H176-H204 PolarHBondContact NE2-ND1 2.99Å; D178-H204 IonicContact OD2-CE1 3.15Å; D178-H204 PolarHBondContact OD2-CE1 2.94Å; D178-H204 VanDerWaalsContact OD2-CE1 3.26Å; D178-H204 IonicContact OD2-ND1 3.5Å; D178-H204 PolarHBondContact OD2-ND1 2.9Å; F182-H204 HydrophobicContact CE2-CB 4.11Å; F182-H204 HydrophobicContact CZ-CB 3.79Å; A190-H204 CarbonylContact C-O 3.56Å; A190-H204 WeakPolarHBondContact CA-O 3.19Å; A190-H204 WeakPolarHBondContact CB-O 3.31Å; H191-H204 AromaticContact CD2-ND1 3.98Å; H191-H204 PolarHBondContact N-O 3.22Å; H191-H204 AromaticContact NE2-CG 3.78Å; H191-H204 AromaticContact NE2-ND1 3.24Å; H191-H204 PolarHBondContact NE2-ND1 3.35Å; H191-H204 PolarHBondContact O-N 3.46Å
205	F	96.7	Very high	84.8	Confident	0 Å²	0	31 Å²	31	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.1	177.9	-60.5	-93.8	0	0	0	110.1	L169 S170 F171 A172 A190 T203 L207 W211 V226 A227 E230	L169-F205 HydrophobicContact CB-CE2 4.44Å; L169-F205 HydrophobicContact CD2-CE2 4Å; L169-F205 HydrophobicContact CD2-CZ 4.36Å; S170-F205 PolarHBondContact O-N 3.34Å; F171-F205 VanDerWaalsContact CA-O 3.32Å; F171-F205 WeakPolarHBondContact CA-O 3.48Å; F171-F205 HydrophobicContact CD1-CB 3.4Å; F171-F205 VanDerWaalsContact CD1-CB 3.4Å; F171-F205 HydrophobicContact CD1-CD2 4.45Å; F171-F205 HydrophobicContact CD1-CG 4.11Å; F171-F205 HydrophobicContact CD2-CD2 4.4Å; F171-F205 HydrophobicContact CE1-CB 3.47Å; F171-F205 VanDerWaalsContact CE1-CB 3.47Å; F171-F205 HydrophobicContact CE1-CD1 4.28Å; F171-F205 HydrophobicContact CE1-CD2 4.09Å; F171-F205 AromaticContact CE1-CG 3.71Å; F171-F205 HydrophobicContact CE1-CG 3.71Å; F171-F205 HydrophobicContact CE2-CD2 4.03Å; F171-F205 HydrophobicContact CE2-CG 4.48Å; F171-F205 HydrophobicContact CG-CB 4.01Å; F171-F205 HydrophobicContact CZ-CB 4.14Å; F171-F205 HydrophobicContact CZ-CD1 4.46Å; F171-F205 AromaticContact CZ-CD2 3.86Å; F171-F205 HydrophobicContact CZ-CD2 3.86Å; F171-F205 HydrophobicContact CZ-CE2 4.38Å; F171-F205 AromaticContact CZ-CG 3.91Å; F171-F205 HydrophobicContact CZ-CG 3.91Å; A172-F205 PolarHBondContact N-O 3.41Å; A190-F205 HydrophobicContact CB-CD1 3.82Å; A190-F205 HydrophobicContact CB-CE1 4.36Å; A190-F205 HydrophobicContact CB-CG 4.33Å; T203-F205 HydrophobicContact CG2-CD2 4.29Å; T203-F205 HydrophobicContact CG2-CE1 4.43Å; T203-F205 HydrophobicContact CG2-CE2 3.56Å; T203-F205 HydrophobicContact CG2-CZ 3.63Å; F205-L207 PolarHBondContact O-N 3Å; F205-W211 HydrophobicContact CB-CH2 4.38Å; F205-W211 HydrophobicContact CB-CZ2 3.88Å; F205-W211 AromaticContact CD1-CH2 3.87Å; F205-W211 HydrophobicContact CD1-CH2 3.87Å; F205-W211 HydrophobicContact CD1-CZ2 4.22Å; F205-V226 HydrophobicContact CD1-CG1 4.05Å; F205-V226 HydrophobicContact CE1-CB 4.38Å; F205-V226 HydrophobicContact CE1-CG1 3.94Å; F205-A227 HydrophobicContact CE1-CB 4.09Å; F205-A227 HydrophobicContact CZ-CB 3.85Å; F205-E230 HydrophobicContact CE1-CG 4.5Å
206	D	94.5	Very high	83.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	114.1	178.8	-170	-15.5	0	0	0	110.5	A172 F182 G184 L189 A208 E209 W211	A172-D206 CarbonylContact O-C 3.56Å; A172-D206 WeakPolarHBondContact O-CA 3.47Å; F182-D206 HydrophobicContact CB-CB 4.24Å; F182-D206 WeakPolarHBondContact CB-OD2 3.47Å; F182-D206 HydrophobicContact CD1-CB 3.51Å; F182-D206 HydrophobicContact CD2-CB 4.03Å; F182-D206 HydrophobicContact CE1-CB 3.83Å; F182-D206 HydrophobicContact CE2-CB 4.3Å; F182-D206 HydrophobicContact CG-CB 3.66Å; F182-D206 HydrophobicContact CZ-CB 4.23Å; G184-D206 PolarHBondContact N-OD2 3.08Å; G184-D206 VanDerWaalsContact O-OD2 3.08Å; L189-D206 WeakPolarHBondContact O-CB 3.18Å; L189-D206 PolarHBondContact O-N 2.67Å; D206-A208 PolarHBondContact O-N 3.27Å; D206-A208 VanDerWaalsContact OD1-CB 3.27Å; D206-A208 WeakPolarHBondContact OD1-CB 3.15Å; D206-A208 PolarHBondContact OD1-N 3.48Å; D206-E209 HydrophobicContact CB-CG 3.88Å; D206-E209 PolarHBondContact O-N 3.16Å; D206-W211 WeakPolarHBondContact O-CZ2 3.23Å; D206-W211 PolarHBondContact O-NE1 3.44Å
207	L	91.5	Very high	83.4	Confident	35 Å²	35	34.8 Å²	34.8	18%	0.183	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.4	178.8	-90	174.4	0	0	0	113.1	K124 F171 A172 D173 F205 E209	K124-L207 PolarHBondContact NZ-O 3.37Å; F171-L207 HydrophobicContact CB-CD1 4.37Å; F171-L207 HydrophobicContact CB-CD2 3.55Å; F171-L207 HydrophobicContact CB-CG 3.68Å; F171-L207 HydrophobicContact CD1-CD2 4.4Å; F171-L207 HydrophobicContact CG-CD2 4.36Å; F171-L207 WeakPolarHBondContact O-CD1 3.27Å; A172-L207 PolarHBondContact O-N 2.8Å; D173-L207 HydrophobicContact CB-CB 4.49Å; D173-L207 VanDerWaalsContact OD1-C 3.31Å; D173-L207 WeakPolarHBondContact OD1-CB 3.27Å; D173-L207 WeakPolarHBondContact OD2-CB 3.3Å; F205-L207 PolarHBondContact O-N 3Å; L207-E209 VanDerWaalsContact C-N 3.29Å; L207-E209 PolarHBondContact O-N 3.18Å
208	A	89.8	Confident	83.5	Confident	22 Å²	22	32.8 Å²	32.8	18%	0.182	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-24.2	-177	0	0	0	0	0	112.6	K124 D173 G184 D206	K124-A208 PolarHBondContact NZ-O 3.35Å; D173-A208 PolarHBondContact OD1-N 2.86Å; G184-A208 VanDerWaalsContact C-CB 3.46Å; D206-A208 PolarHBondContact O-N 3.27Å; D206-A208 VanDerWaalsContact OD1-CB 3.27Å; D206-A208 WeakPolarHBondContact OD1-CB 3.15Å; D206-A208 PolarHBondContact OD1-N 3.48Å
209	E	92.9	Very high	83.2	Confident	3 Å²	3	33.2 Å²	33.2	1%	0.014	21%	0.209	C	C	.	.	S	Bend	trans	-65	146.7	-176.6	-69.2	-67.3	166.7	0	0	113.3	K124 G186 L189 D206 L207 W211 N221	K124-E209 WeakPolarHBondContact CD-O 3.39Å; K124-E209 WeakPolarHBondContact CE-O 3.25Å; K124-E209 PolarHBondContact NZ-O 3.01Å; G186-E209 VanDerWaalsContact CA-OE1 3.24Å; G186-E209 WeakPolarHBondContact CA-OE1 3.43Å; G186-E209 PolarHBondContact N-OE1 3.11Å; G186-E209 PolarHBondContact N-OE2 2.77Å; L189-E209 HydrophobicContact CD2-CG 3.74Å; L189-E209 WeakPolarHBondContact CD2-OE1 3.35Å; L189-E209 WeakPolarHBondContact CD2-OE2 3.28Å; D206-E209 HydrophobicContact CB-CG 3.88Å; D206-E209 PolarHBondContact O-N 3.16Å; L207-E209 VanDerWaalsContact C-N 3.29Å; L207-E209 PolarHBondContact O-N 3.18Å; E209-W211 HydrophobicContact CB-CD2 4.39Å; E209-W211 HydrophobicContact CB-CZ2 3.99Å; E209-W211 HydrophobicContact CG-CZ2 4.41Å; E209-W211 PolarHBondContact O-N 2.68Å; E209-N221 PolarHBondContact OE2-ND2 3.39Å
210	P	91.1	Very high	84	Confident	47 Å²	47	29 Å²	29	31%	0.305	19%	0.189	S	C	.	.			trans	-74	73.3	177.8	31.9	-35.4	0	0	0	110.5	G220 N221	P210-G220 WeakPolarHBondContact O-CA 3.33Å; P210-N221 PolarHBondContact O-N 2.76Å
211	W	94.2	Very high	84.7	Confident	9 Å²	9	29 Å²	29	3%	0.034	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	133.9	-179.5	-67.9	108.3	0	0	0	112	T122 K124 V125 L189 F205 D206 E209 N221 V223 V226	T122-W211 HydrophobicContact CG2-CB 3.9Å; T122-W211 HydrophobicContact CG2-CG 3.92Å; K124-W211 HydrophobicContact CB-CB 4.24Å; K124-W211 HydrophobicContact CD-CB 4.38Å; V125-W211 HydrophobicContact CG1-CB 4.13Å; V125-W211 VanDerWaalsContact CG1-O 3.28Å; V125-W211 WeakPolarHBondContact CG1-O 3.37Å; L189-W211 HydrophobicContact CB-CH2 4.33Å; L189-W211 WeakPolarHBondContact O-CZ2 3.13Å; F205-W211 HydrophobicContact CB-CH2 4.38Å; F205-W211 HydrophobicContact CB-CZ2 3.88Å; F205-W211 AromaticContact CD1-CH2 3.87Å; F205-W211 HydrophobicContact CD1-CH2 3.87Å; F205-W211 HydrophobicContact CD1-CZ2 4.22Å; D206-W211 WeakPolarHBondContact O-CZ2 3.23Å; D206-W211 PolarHBondContact O-NE1 3.44Å; E209-W211 HydrophobicContact CB-CD2 4.39Å; E209-W211 HydrophobicContact CB-CZ2 3.99Å; E209-W211 HydrophobicContact CG-CZ2 4.41Å; E209-W211 PolarHBondContact O-N 2.68Å; W211-N221 CarbonylContact C-O 3.5Å; W211-N221 WeakPolarHBondContact CA-O 3.27Å; W211-N221 HydrophobicContact CE3-CB 4.08Å; W211-N221 HydrophobicContact CZ3-CB 4Å; W211-V223 HydrophobicContact CB-CG2 4.02Å; W211-V223 HydrophobicContact CD2-CG2 3.97Å; W211-V223 HydrophobicContact CE3-CB 4.36Å; W211-V223 HydrophobicContact CE3-CG2 3.55Å; W211-V223 HydrophobicContact CG-CG2 4.19Å; W211-V223 HydrophobicContact CZ3-CG2 4.39Å; W211-V226 HydrophobicContact CH2-CB 4.15Å; W211-V226 HydrophobicContact CH2-CG1 4Å; W211-V226 HydrophobicContact CH2-CG2 4.15Å; W211-V226 HydrophobicContact CZ3-CB 3.92Å; W211-V226 HydrophobicContact CZ3-CG1 4.3Å; W211-V226 HydrophobicContact CZ3-CG2 3.76Å
212	T	93	Very high	85.3	Confident	18 Å²	18	29.1 Å²	29.1	11%	0.11	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	162.6	177.9	59.3	0	0	0	0	109.6	Q218 N221 D222 V223	T212-Q218 HydrophobicContact CG2-CB 3.9Å; T212-N221 PolarHBondContact N-O 3.33Å; T212-N221 PolarHBondContact OG1-O 3.49Å; T212-D222 WeakPolarHBondContact O-CA 3.24Å; T212-V223 PolarHBondContact O-N 2.92Å
213	T	88.6	Confident	85.8	Confident	41 Å²	41	29 Å²	29	25%	0.252	19%	0.187	S	C	.	.			trans	-141.8	151.6	168.6	52.9	0	0	0	0	108.5	V125 A129 Q218 V223	V125-T213 HydrophobicContact CB-CG2 3.97Å; V125-T213 HydrophobicContact CG1-CG2 4.05Å; V125-T213 HydrophobicContact CG2-CG2 3.94Å; A129-T213 HydrophobicContact CB-CG2 4.32Å; T213-Q218 PolarHBondContact O-NE2 3.2Å; T213-V223 HydrophobicContact CG2-CB 4.21Å; T213-V223 HydrophobicContact CG2-CG2 4.27Å
214	G	76.3	Confident	85.9	Confident	33 Å²	33	29.3 Å²	29.3	34%	0.34	19%	0.188	S	C	.	.	S	Bend	trans	138.5	-169.8	170.4	0	0	0	0	0	113.2	T256	G214-T256 PolarHBondContact O-OG1 2.81Å
215	T	65.9	Low	86.2	Confident	63 Å²	63	28.4 Å²	28.4	39%	0.387	18%	0.184	S	C	.	.	S	Bend	trans	-97.5	-1.6	-174.6	55.6	0	0	0	0	114.1	T256 E257	T215-T256 WeakPolarHBondContact CA-OG1 3.41Å; T215-E257 HydrophobicContact CG2-CB 3.91Å; T215-E257 HydrophobicContact CG2-CG 4.34Å
216	V	62.8	Low	86.2	Confident	74 Å²	74	28.7 Å²	28.7	45%	0.448	19%	0.186	S	C	.	.	S	Bend	trans	-127.8	140.5	-178.4	-174.5	0	0	0	0	108.8	Q218	V216-Q218 PolarHBondContact O-N 2.84Å; V216-Q218 VanDerWaalsContact O-N 3.16Å
217	D	71.9	Confident	86.4	Confident	39 Å²	39	28.7 Å²	28.7	21%	0.209	19%	0.186	C	C	.	.			trans	-63.9	112.5	172.7	-170.2	-2.3	0	0	0	109.9	G219 W253	D217-G219 VanDerWaalsContact C-N 3.32Å; D217-G219 PolarHBondContact OD1-N 2.9Å; D217-W253 HydrophobicContact CB-CD2 3.89Å; D217-W253 HydrophobicContact CB-CG 3.83Å; D217-W253 HydrophobicContact CB-CZ2 4.48Å
218	Q	71.3	Confident	86.7	Confident	122 Å²	122	27 Å²	27	57%	0.57	18%	0.177	S	C	*	.			trans	-90.6	2.3	179.2	-70.2	170.1	32.4	0	0	112.3	T212 T213 V216 G220	T212-Q218 HydrophobicContact CG2-CB 3.9Å; T213-Q218 PolarHBondContact O-NE2 3.2Å; V216-Q218 PolarHBondContact O-N 2.84Å; V216-Q218 VanDerWaalsContact O-N 3.16Å; Q218-G220 VanDerWaalsContact C-N 3.34Å
219	G	69.1	Low	87.1	Confident	67 Å²	67	26.6 Å²	26.6	69%	0.691	17%	0.172	S	C	*	.	S	Bend	trans	80.2	15	-175.9	0	0	0	0	0	114	D217	D217-G219 VanDerWaalsContact C-N 3.32Å; D217-G219 PolarHBondContact OD1-N 2.9Å
220	G	83.9	Confident	87.4	Confident	5 Å²	5	26.6 Å²	26.6	5%	0.052	17%	0.171	C	C	.	.	S	Bend	trans	-119.9	-165.8	172.9	0	0	0	0	0	112.6	P210 Q218 Y251	P210-G220 WeakPolarHBondContact O-CA 3.33Å; Q218-G220 VanDerWaalsContact C-N 3.34Å; G220-Y251 PolarHBondContact O-OH 3.21Å
221	N	90.8	Very high	87.7	Confident	8 Å²	8	24.4 Å²	24.4	4%	0.043	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.1	-179.7	-57	-52.1	0	0	0	109.7	L189 E209 P210 W211 T212	L189-N221 HydrophobicContact CD1-CB 4.16Å; L189-N221 HydrophobicContact CD2-CB 4.32Å; L189-N221 VanDerWaalsContact CD2-CG 3.47Å; L189-N221 WeakPolarHBondContact CD2-ND2 3.32Å; E209-N221 PolarHBondContact OE2-ND2 3.39Å; P210-N221 PolarHBondContact O-N 2.76Å; W211-N221 CarbonylContact C-O 3.5Å; W211-N221 WeakPolarHBondContact CA-O 3.27Å; W211-N221 HydrophobicContact CE3-CB 4.08Å; W211-N221 HydrophobicContact CZ3-CB 4Å; T212-N221 PolarHBondContact N-O 3.33Å; T212-N221 PolarHBondContact OG1-O 3.49Å
222	D	95.1	Very high	87.8	Confident	3 Å²	3	24 Å²	24	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	122.6	-177.3	-176.7	-80	0	0	0	110.4	T212 F224 L225 V226 Y251	T212-D222 WeakPolarHBondContact O-CA 3.24Å; D222-F224 VanDerWaalsContact C-N 3.26Å; D222-F224 PolarHBondContact O-N 2.72Å; D222-F224 WeakPolarHBondContact OD1-CA 3.41Å; D222-F224 VanDerWaalsContact OD1-CB 3.26Å; D222-F224 WeakPolarHBondContact OD1-CB 3.33Å; D222-F224 PolarHBondContact OD1-N 2.77Å; D222-L225 HydrophobicContact CB-CB 4.25Å; D222-L225 HydrophobicContact CB-CD1 4.02Å; D222-L225 HydrophobicContact CB-CG 4.04Å; D222-L225 PolarHBondContact O-N 3.03Å; D222-L225 PolarHBondContact OD1-N 3.22Å; D222-V226 PolarHBondContact O-N 3.49Å; D222-V226 VanDerWaalsContact O-N 3.07Å; D222-Y251 PolarHBondContact N-OH 3Å
223	V	96.9	Very high	87.9	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-38.5	-176.8	176.4	0	0	0	0	111.6	T122 V125 T130 A133 F171 W211 T212 T213 A227	T122-V223 HydrophobicContact CG2-CG2 4.17Å; V125-V223 HydrophobicContact CG2-CG2 4.3Å; T130-V223 HydrophobicContact CG2-CG1 4.38Å; A133-V223 HydrophobicContact CB-CB 4.16Å; A133-V223 HydrophobicContact CB-CG1 3.91Å; F171-V223 HydrophobicContact CZ-CG1 4.14Å; W211-V223 HydrophobicContact CB-CG2 4.02Å; W211-V223 HydrophobicContact CD2-CG2 3.97Å; W211-V223 HydrophobicContact CE3-CB 4.36Å; W211-V223 HydrophobicContact CE3-CG2 3.55Å; W211-V223 HydrophobicContact CG-CG2 4.19Å; W211-V223 HydrophobicContact CZ3-CG2 4.39Å; T212-V223 PolarHBondContact O-N 2.92Å; T213-V223 HydrophobicContact CG2-CB 4.21Å; T213-V223 HydrophobicContact CG2-CG2 4.27Å; V223-A227 WeakPolarHBondContact O-CB 3.48Å; V223-A227 PolarHBondContact O-N 2.66Å
224	F	97.4	Very high	88.3	Confident	6 Å²	6	21.1 Å²	21.1	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-67.9	-44.3	-179.3	159.3	-101.4	0	0	0	110.9	A133 K136 A137 V140 D222 A227 V228 T256 F259	A133-F224 HydrophobicContact CB-CB 3.9Å; K136-F224 HydrophobicContact CB-CD2 3.93Å; K136-F224 HydrophobicContact CB-CE2 4.04Å; K136-F224 HydrophobicContact CD-CD2 3.79Å; K136-F224 HydrophobicContact CD-CE2 3.72Å; K136-F224 HydrophobicContact CD-CG 4.35Å; K136-F224 HydrophobicContact CD-CZ 4.22Å; K136-F224 HydrophobicContact CG-CD2 3.85Å; K136-F224 HydrophobicContact CG-CE2 3.54Å; K136-F224 HydrophobicContact CG-CZ 4.33Å; A137-F224 HydrophobicContact CB-CD2 4.15Å; A137-F224 HydrophobicContact CB-CE2 4.37Å; V140-F224 HydrophobicContact CG2-CE2 3.77Å; V140-F224 HydrophobicContact CG2-CZ 3.77Å; D222-F224 VanDerWaalsContact C-N 3.26Å; D222-F224 PolarHBondContact O-N 2.72Å; D222-F224 WeakPolarHBondContact OD1-CA 3.41Å; D222-F224 VanDerWaalsContact OD1-CB 3.26Å; D222-F224 WeakPolarHBondContact OD1-CB 3.33Å; D222-F224 PolarHBondContact OD1-N 2.77Å; F224-A227 PolarHBondContact O-N 2.69Å; F224-V228 HydrophobicContact CD2-CG2 4.02Å; F224-V228 HydrophobicContact CE1-CG2 4.42Å; F224-V228 HydrophobicContact CE2-CG2 3.59Å; F224-V228 HydrophobicContact CZ-CG2 3.83Å; F224-V228 VanDerWaalsContact O-CG2 3.3Å; F224-V228 WeakPolarHBondContact O-CG2 3.37Å; F224-V228 PolarHBondContact O-N 2.91Å; F224-T256 HydrophobicContact CD1-CG2 3.86Å; F224-T256 HydrophobicContact CE1-CG2 4.32Å; F224-F259 HydrophobicContact CE1-CB 3.81Å; F224-F259 HydrophobicContact CE1-CD1 4.32Å; F224-F259 HydrophobicContact CE1-CD2 4.01Å; F224-F259 AromaticContact CE1-CG 3.78Å; F224-F259 HydrophobicContact CE1-CG 3.78Å; F224-F259 HydrophobicContact CZ-CB 3.8Å; F224-F259 AromaticContact CZ-CD1 3.9Å; F224-F259 HydrophobicContact CZ-CD1 3.9Å; F224-F259 HydrophobicContact CZ-CD2 4.41Å; F224-F259 AromaticContact CZ-CG 3.76Å; F224-F259 HydrophobicContact CZ-CG 3.76Å
225	L	96.6	Very high	89.2	Confident	2 Å²	2	19.6 Å²	19.6	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-65.3	-45.6	-179.9	-63.6	-178.7	0	0	0	112.5	D222 A227 V228 H229 Y251 W253 F254 T256 F259	D222-L225 HydrophobicContact CB-CB 4.25Å; D222-L225 HydrophobicContact CB-CD1 4.02Å; D222-L225 HydrophobicContact CB-CG 4.04Å; D222-L225 PolarHBondContact O-N 3.03Å; D222-L225 PolarHBondContact OD1-N 3.22Å; L225-A227 VanDerWaalsContact C-N 3.35Å; L225-V228 PolarHBondContact O-N 2.82Å; L225-H229 PolarHBondContact O-N 3.15Å; L225-H229 VanDerWaalsContact O-N 3.15Å; L225-Y251 HydrophobicContact CB-CE2 4.27Å; L225-W253 HydrophobicContact CD1-CG 4.28Å; L225-F254 HydrophobicContact CD1-CB 4.29Å; L225-F254 HydrophobicContact CD1-CD2 4.49Å; L225-F254 VanDerWaalsContact CD1-N 3.25Å; L225-F254 HydrophobicContact CD2-CB 3.78Å; L225-F254 HydrophobicContact CD2-CD2 4.36Å; L225-F254 HydrophobicContact CD2-CG 4.49Å; L225-T256 HydrophobicContact CD1-CG2 4.34Å; L225-T256 HydrophobicContact CD2-CG2 4.09Å; L225-T256 HydrophobicContact CG-CG2 4.08Å; L225-F259 HydrophobicContact CD2-CD2 4.05Å; L225-F259 HydrophobicContact CD2-CE2 3.95Å
226	V	97.4	Very high	90.3	Very high	6 Å²	6	16.6 Å²	16.6	4%	0.036	10%	0.104	C	C	.	.	H	α-helix	trans	-64.2	-43.3	176.2	-178.6	0	0	0	0	109.9	L189 A190 F205 W211 D222 V228 H229 E230 Y251	L189-V226 HydrophobicContact CB-CG1 4.33Å; L189-V226 HydrophobicContact CB-CG2 4.49Å; L189-V226 HydrophobicContact CD1-CG2 3.81Å; A190-V226 HydrophobicContact CB-CG1 3.58Å; F205-V226 HydrophobicContact CD1-CG1 4.05Å; F205-V226 HydrophobicContact CE1-CB 4.38Å; F205-V226 HydrophobicContact CE1-CG1 3.94Å; W211-V226 HydrophobicContact CH2-CB 4.15Å; W211-V226 HydrophobicContact CH2-CG1 4Å; W211-V226 HydrophobicContact CH2-CG2 4.15Å; W211-V226 HydrophobicContact CZ3-CB 3.92Å; W211-V226 HydrophobicContact CZ3-CG1 4.3Å; W211-V226 HydrophobicContact CZ3-CG2 3.76Å; D222-V226 PolarHBondContact O-N 3.49Å; D222-V226 VanDerWaalsContact O-N 3.07Å; V226-V228 VanDerWaalsContact C-N 3.33Å; V226-V228 PolarHBondContact O-N 3.13Å; V226-H229 WeakPolarHBondContact O-CB 3.48Å; V226-H229 PolarHBondContact O-N 3.36Å; V226-H229 VanDerWaalsContact O-N 3.13Å; V226-E230 HydrophobicContact CG1-CG 3.99Å; V226-E230 WeakPolarHBondContact O-CG 3.41Å; V226-E230 PolarHBondContact O-N 2.95Å; V226-Y251 HydrophobicContact CG2-CD2 3.89Å; V226-Y251 HydrophobicContact CG2-CE2 3.91Å
227	A	98.2	Very high	91.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.8	-38.5	176.2	0	0	0	0	0	112.9	I134 A137 F205 V223 F224 L225 H229 L231	I134-A227 HydrophobicContact CG1-CB 4.43Å; A137-A227 HydrophobicContact CB-CB 3.8Å; F205-A227 HydrophobicContact CE1-CB 4.09Å; F205-A227 HydrophobicContact CZ-CB 3.85Å; V223-A227 WeakPolarHBondContact O-CB 3.48Å; V223-A227 PolarHBondContact O-N 2.66Å; F224-A227 PolarHBondContact O-N 2.69Å; L225-A227 VanDerWaalsContact C-N 3.35Å; A227-H229 VanDerWaalsContact C-N 3.34Å; A227-H229 PolarHBondContact O-N 3.39Å; A227-L231 WeakPolarHBondContact O-CB 3.32Å; A227-L231 WeakPolarHBondContact O-CG 3.44Å; A227-L231 PolarHBondContact O-N 3.19Å
228	V	98.3	Very high	92.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.1	-45.6	175	174	0	0	0	0	110.5	A137 V140 W141 F224 L225 V226 G232 I246 F259 L261	A137-V228 HydrophobicContact CB-CB 4.49Å; A137-V228 HydrophobicContact CB-CG2 3.63Å; V140-V228 HydrophobicContact CB-CG2 4.42Å; V140-V228 HydrophobicContact CG1-CG1 4.21Å; V140-V228 HydrophobicContact CG1-CG2 4.5Å; V140-V228 HydrophobicContact CG2-CG2 4.32Å; W141-V228 HydrophobicContact CZ2-CG1 4.06Å; W141-V228 VanDerWaalsContact CZ2-O 3.27Å; W141-V228 WeakPolarHBondContact CZ2-O 3.12Å; W141-V228 PolarHBondContact NE1-O 2.9Å; F224-V228 HydrophobicContact CD2-CG2 4.02Å; F224-V228 HydrophobicContact CE1-CG2 4.42Å; F224-V228 HydrophobicContact CE2-CG2 3.59Å; F224-V228 HydrophobicContact CZ-CG2 3.83Å; F224-V228 VanDerWaalsContact O-CG2 3.3Å; F224-V228 WeakPolarHBondContact O-CG2 3.37Å; F224-V228 PolarHBondContact O-N 2.91Å; L225-V228 PolarHBondContact O-N 2.82Å; V226-V228 VanDerWaalsContact C-N 3.33Å; V226-V228 PolarHBondContact O-N 3.13Å; V228-G232 PolarHBondContact O-N 2.75Å; V228-I246 HydrophobicContact CB-CG1 4.24Å; V228-I246 HydrophobicContact CG1-CG1 3.82Å; V228-I246 HydrophobicContact CG1-CG2 4.03Å; V228-F259 HydrophobicContact CG1-CE1 4.12Å; V228-F259 HydrophobicContact CG1-CZ 4.2Å; V228-L261 HydrophobicContact CG1-CD2 4.28Å
229	H	97.9	Very high	93.5	Very high	13 Å²	13	6.9 Å²	6.9	6%	0.06	5%	0.052	C	C	.	.	H	α-helix	trans	-59.6	-56.2	177.4	-178.6	106.7	0	0	0	111.7	C83 L225 V226 A227 L231 G232 H233 H239 I246 M247 A248	C83-H229 WeakPolarHBondContact CB-NE2 3.5Å; L225-H229 PolarHBondContact O-N 3.15Å; L225-H229 VanDerWaalsContact O-N 3.15Å; V226-H229 WeakPolarHBondContact O-CB 3.48Å; V226-H229 PolarHBondContact O-N 3.36Å; V226-H229 VanDerWaalsContact O-N 3.13Å; A227-H229 VanDerWaalsContact C-N 3.34Å; A227-H229 PolarHBondContact O-N 3.39Å; H229-L231 VanDerWaalsContact C-N 3.3Å; H229-L231 PolarHBondContact O-N 2.73Å; H229-G232 WeakPolarHBondContact O-CA 3.26Å; H229-G232 PolarHBondContact O-N 2.79Å; H229-H233 AromaticContact CD2-CD2 3.84Å; H229-H233 AromaticContact CD2-NE2 3.75Å; H229-H233 AromaticContact NE2-CD2 3.8Å; H229-H233 AromaticContact NE2-NE2 3.2Å; H229-H233 PolarHBondContact NE2-NE2 3.18Å; H229-H233 PolarHBondContact O-N 3.26Å; H229-H239 AromaticContact CE1-CD2 3.58Å; H229-H239 AromaticContact CE1-NE2 3.66Å; H229-H239 AromaticContact NE2-CD2 3.46Å; H229-H239 PolarHBondContact NE2-CD2 2.74Å; H229-H239 AromaticContact NE2-NE2 3.22Å; H229-H239 PolarHBondContact NE2-NE2 2.64Å; H229-I246 HydrophobicContact CB-CG1 4.36Å; H229-I246 PolarHBondContact ND1-O 3.08Å; H229-M247 WeakPolarHBondContact O-CE 3.24Å; H229-A248 PolarHBondContact CE1-O 2.88Å; H229-A248 PolarHBondContact ND1-O 3.06Å
230	E	97.9	Very high	94.4	Very high	2 Å²	2	4 Å²	4	1%	0.009	2%	0.022	C	C	.	.	H	α-helix	trans	-64.4	-36.3	-175.9	-60	-50.3	144.6	0	0	112.2	C83 A190 H191 A192 T203 F205 V226 G232 H233 A234	C83-E230 WeakPolarHBondContact CB-OE1 3.2Å; C83-E230 PolarHBondContact SG-OE1 2.63Å; C83-E230 PolarHBondContact SG-OE2 3.42Å; A190-E230 HydrophobicContact CB-CG 3.57Å; H191-E230 VanDerWaalsContact CA-OE2 3.24Å; H191-E230 WeakPolarHBondContact CA-OE2 3.26Å; A192-E230 HydrophobicContact CB-CB 3.97Å; A192-E230 VanDerWaalsContact CB-O 3.26Å; A192-E230 WeakPolarHBondContact CB-O 3.24Å; A192-E230 PolarHBondContact N-OE2 3.35Å; A192-E230 VanDerWaalsContact N-OE2 3.15Å; T203-E230 HydrophobicContact CG2-CB 3.41Å; T203-E230 VanDerWaalsContact CG2-CB 3.41Å; T203-E230 HydrophobicContact CG2-CG 4.03Å; F205-E230 HydrophobicContact CE1-CG 4.5Å; V226-E230 HydrophobicContact CG1-CG 3.99Å; V226-E230 WeakPolarHBondContact O-CG 3.41Å; V226-E230 PolarHBondContact O-N 2.95Å; E230-G232 PolarHBondContact O-N 3.13Å; E230-H233 WeakPolarHBondContact O-CA 3.45Å; E230-H233 WeakPolarHBondContact O-CB 3.25Å; E230-H233 PolarHBondContact O-N 2.87Å; E230-H233 IonicContact OE2-CD2 2.61Å; E230-A234 PolarHBondContact O-N 2.77Å
231	L	98.3	Very high	94.2	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-64.5	-26.8	172.8	-71.4	177.4	0	0	0	112.3	A137 F138 I167 L169 A227 H229 H233 A234 L235	A137-L231 HydrophobicContact CB-CD1 3.78Å; F138-L231 HydrophobicContact CD1-CD1 3.99Å; F138-L231 HydrophobicContact CD1-CD2 4.47Å; F138-L231 HydrophobicContact CD2-CD1 3.87Å; F138-L231 HydrophobicContact CE1-CD1 4.02Å; F138-L231 HydrophobicContact CE1-CD2 3.69Å; F138-L231 HydrophobicContact CE1-CG 4.49Å; F138-L231 HydrophobicContact CE2-CD1 3.87Å; F138-L231 HydrophobicContact CE2-CD2 4.02Å; F138-L231 HydrophobicContact CG-CD1 3.93Å; F138-L231 HydrophobicContact CZ-CD1 3.96Å; F138-L231 HydrophobicContact CZ-CD2 3.42Å; F138-L231 VanDerWaalsContact CZ-CD2 3.42Å; F138-L231 HydrophobicContact CZ-CG 4.36Å; I167-L231 HydrophobicContact CG2-CD2 4.16Å; L169-L231 HydrophobicContact CD2-CD2 4.3Å; A227-L231 WeakPolarHBondContact O-CB 3.32Å; A227-L231 WeakPolarHBondContact O-CG 3.44Å; A227-L231 PolarHBondContact O-N 3.19Å; H229-L231 VanDerWaalsContact C-N 3.3Å; H229-L231 PolarHBondContact O-N 2.73Å; L231-H233 VanDerWaalsContact C-N 3.33Å; L231-A234 HydrophobicContact CD2-CB 4.37Å; L231-A234 PolarHBondContact O-N 2.88Å; L231-L235 WeakPolarHBondContact O-CB 3.44Å; L231-L235 WeakPolarHBondContact O-CD1 3.25Å; L231-L235 WeakPolarHBondContact O-CG 3.23Å; L231-L235 PolarHBondContact O-N 2.8Å
232	G	97.1	Very high	93.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-60.5	-43.1	170	0	0	0	0	0	112	V228 H229 E230 L235 G236 L237	V228-G232 PolarHBondContact O-N 2.75Å; H229-G232 WeakPolarHBondContact O-CA 3.26Å; H229-G232 PolarHBondContact O-N 2.79Å; E230-G232 PolarHBondContact O-N 3.13Å; G232-L235 CarbonylContact O-C 3.59Å; G232-L235 PolarHBondContact O-N 2.65Å; G232-G236 PolarHBondContact O-N 2.92Å; G232-G236 VanDerWaalsContact O-N 3.13Å; G232-L237 WeakPolarHBondContact O-CB 3.45Å; G232-L237 PolarHBondContact O-N 3.06Å
233	H	94.8	Very high	92.9	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.5	-47.2	171.9	-68.3	-47.5	0	0	0	112.3	A192 F194 H229 E230 L231 L235 G236 L237 H239 M247	A192-H233 HydrophobicContact CB-CB 3.86Å; F194-H233 WeakPolarHBondContact CD1-O 3.4Å; H229-H233 AromaticContact CD2-CD2 3.84Å; H229-H233 AromaticContact CD2-NE2 3.75Å; H229-H233 AromaticContact NE2-CD2 3.8Å; H229-H233 AromaticContact NE2-NE2 3.2Å; H229-H233 PolarHBondContact NE2-NE2 3.18Å; H229-H233 PolarHBondContact O-N 3.26Å; E230-H233 WeakPolarHBondContact O-CA 3.45Å; E230-H233 WeakPolarHBondContact O-CB 3.25Å; E230-H233 PolarHBondContact O-N 2.87Å; E230-H233 IonicContact OE2-CD2 2.61Å; L231-H233 VanDerWaalsContact C-N 3.33Å; H233-L235 PolarHBondContact O-N 3.01Å; H233-G236 PolarHBondContact O-N 2.95Å; H233-L237 WeakPolarHBondContact CA-O 3.16Å; H233-L237 PolarHBondContact ND1-O 2.92Å; H233-H239 AromaticContact CE1-CD2 3.43Å; H233-H239 PolarHBondContact CE1-CD2 2.91Å; H233-H239 VanDerWaalsContact CE1-CD2 3.43Å; H233-H239 AromaticContact CE1-NE2 3.75Å; H233-H239 AromaticContact NE2-CD2 3.35Å; H233-H239 PolarHBondContact NE2-CD2 3.33Å; H233-H239 AromaticContact NE2-NE2 3.24Å; H233-H239 PolarHBondContact NE2-NE2 2.94Å; H233-M247 WeakPolarHBondContact CE1-CE 3.17Å; H233-M247 WeakPolarHBondContact ND1-CE 3.37Å
234	A	95.4	Very high	92	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59.5	-17.2	175.5	0	0	0	0	0	113.4	W109 I167 Y193 P195 G201 E230 L231	W109-A234 PolarHBondContact NE1-O 3.49Å; I167-A234 HydrophobicContact CD1-CB 4.06Å; I167-A234 HydrophobicContact CG1-CB 4.46Å; Y193-A234 WeakPolarHBondContact O-CA 3.5Å; P195-A234 WeakPolarHBondContact CG-O 3.33Å; G201-A234 WeakPolarHBondContact O-CB 3.43Å; E230-A234 PolarHBondContact O-N 2.77Å; L231-A234 HydrophobicContact CD2-CB 4.37Å; L231-A234 PolarHBondContact O-N 2.88Å
235	L	95.9	Very high	91.6	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-5.7	174.6	-66.8	172.2	0	0	0	114	W141 L147 F149 L231 G232 H233 I269 Y273	W141-L235 HydrophobicContact CB-CD1 3.72Å; W141-L235 HydrophobicContact CD2-CD1 3.89Å; W141-L235 HydrophobicContact CE3-CD1 4.4Å; W141-L235 HydrophobicContact CG-CD1 3.57Å; L147-L235 HydrophobicContact CD1-CD2 4.07Å; F149-L235 HydrophobicContact CE1-CD2 3.82Å; F149-L235 HydrophobicContact CZ-CD1 4.12Å; F149-L235 HydrophobicContact CZ-CD2 3.74Å; L231-L235 WeakPolarHBondContact O-CB 3.44Å; L231-L235 WeakPolarHBondContact O-CD1 3.25Å; L231-L235 WeakPolarHBondContact O-CG 3.23Å; L231-L235 PolarHBondContact O-N 2.8Å; G232-L235 CarbonylContact O-C 3.59Å; G232-L235 PolarHBondContact O-N 2.65Å; H233-L235 PolarHBondContact O-N 3.01Å; L235-I269 HydrophobicContact CB-CD1 3.7Å; L235-I269 HydrophobicContact CD1-CD1 4.16Å; L235-Y273 HydrophobicContact CB-CE2 4.21Å; L235-Y273 WeakPolarHBondContact O-CE2 3.36Å; L235-Y273 PolarHBondContact O-OH 2.72Å
236	G	89.4	Confident	91.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	110	5	173.3	0	0	0	0	0	115.9	Q105 G232 H233	Q105-G236 PolarHBondContact N-O 2.72Å; G232-G236 PolarHBondContact O-N 2.92Å; G232-G236 VanDerWaalsContact O-N 3.13Å; H233-G236 PolarHBondContact O-N 2.95Å
237	L	92.6	Very high	91.4	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.021	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-80.4	138.5	174.3	-62.5	173.9	0	0	0	111	A103 W141 F194 G232 H233 M247 I269 I272	A103-L237 CarbonylContact O-C 3.55Å; A103-L237 WeakPolarHBondContact O-CA 3.39Å; W141-L237 HydrophobicContact CH2-CD1 3.46Å; W141-L237 VanDerWaalsContact CH2-CD1 3.46Å; W141-L237 HydrophobicContact CZ2-CD1 4.33Å; W141-L237 HydrophobicContact CZ3-CD1 3.8Å; F194-L237 VanDerWaalsContact CE1-O 3.25Å; F194-L237 WeakPolarHBondContact CE1-O 3.24Å; G232-L237 WeakPolarHBondContact O-CB 3.45Å; G232-L237 PolarHBondContact O-N 3.06Å; H233-L237 WeakPolarHBondContact CA-O 3.16Å; H233-L237 PolarHBondContact ND1-O 2.92Å; L237-M247 HydrophobicContact CB-CE 4Å; L237-M247 HydrophobicContact CB-CG 4.2Å; L237-M247 HydrophobicContact CB-SD 4.35Å; L237-M247 HydrophobicContact CD1-CG 3.85Å; L237-M247 HydrophobicContact CD1-SD 4.23Å; L237-I269 HydrophobicContact CD1-CB 4.2Å; L237-I269 HydrophobicContact CD1-CD1 4.13Å; L237-I269 HydrophobicContact CD2-CB 4.48Å; L237-I269 HydrophobicContact CD2-CD1 4.5Å; L237-I269 HydrophobicContact CG-CD1 4.08Å; L237-I272 HydrophobicContact CD2-CD1 3.91Å; L237-I272 HydrophobicContact CG-CD1 4.43Å
238	E	89.8	Confident	91.1	Very high	20 Å²	20	9.5 Å²	9.5	9%	0.093	5%	0.054	C	C	.	.			trans	-89.4	-178.8	167.9	-61.6	164.6	151.7	0	0	109.6	F89 A103 R104 Q105 F194	F89-E238 HydrophobicContact CD2-CG 4.22Å; F89-E238 HydrophobicContact CE2-CB 4.33Å; F89-E238 HydrophobicContact CE2-CG 3.91Å; A103-E238 VanDerWaalsContact C-N 3.33Å; A103-E238 HydrophobicContact CB-CB 3.64Å; A103-E238 WeakPolarHBondContact CB-O 3.49Å; A103-E238 PolarHBondContact O-N 2.84Å; R104-E238 VanDerWaalsContact C-CD 3.42Å; R104-E238 PolarHBondContact N-OE2 3.12Å; Q105-E238 WeakPolarHBondContact CA-OE1 3.37Å; Q105-E238 HydrophobicContact CB-CG 3.68Å; Q105-E238 WeakPolarHBondContact CB-OE1 3.42Å; Q105-E238 PolarHBondContact N-OE1 2.96Å; F194-E238 HydrophobicContact CE1-CG 4.09Å; F194-E238 HydrophobicContact CZ-CG 4.03Å
239	H	91.1	Very high	90.8	Very high	7 Å²	7	9.7 Å²	9.7	3%	0.032	6%	0.055	C	C	.	.			trans	-65.4	135.3	170	-74.5	154	0	0	0	112.4	F61 R82 C83 V85 D87 A103 H229 H233 M247 P249	F61-H239 HydrophobicContact CE1-CB 4.17Å; F61-H239 HydrophobicContact CZ-CB 3.85Å; R82-H239 PolarHBondContact NH2-CE1 2.84Å; C83-H239 WeakPolarHBondContact CB-NE2 3.27Å; V85-H239 PolarHBondContact O-CE1 3Å; D87-H239 IonicContact OD1-CE1 2.7Å; D87-H239 IonicContact OD1-CG 2.88Å; D87-H239 IonicContact OD1-ND1 2.59Å; D87-H239 PolarHBondContact OD1-ND1 2.78Å; A103-H239 WeakPolarHBondContact CB-O 3Å; H229-H239 AromaticContact CE1-CD2 3.58Å; H229-H239 AromaticContact CE1-NE2 3.66Å; H229-H239 AromaticContact NE2-CD2 3.46Å; H229-H239 PolarHBondContact NE2-CD2 2.74Å; H229-H239 AromaticContact NE2-NE2 3.22Å; H229-H239 PolarHBondContact NE2-NE2 2.64Å; H233-H239 AromaticContact CE1-CD2 3.43Å; H233-H239 PolarHBondContact CE1-CD2 2.91Å; H233-H239 VanDerWaalsContact CE1-CD2 3.43Å; H233-H239 AromaticContact CE1-NE2 3.75Å; H233-H239 AromaticContact NE2-CD2 3.35Å; H233-H239 PolarHBondContact NE2-CD2 3.33Å; H233-H239 AromaticContact NE2-NE2 3.24Å; H233-H239 PolarHBondContact NE2-NE2 2.94Å; H239-M247 CarbonylContact C-O 3.52Å; H239-M247 VanDerWaalsContact CA-O 3.29Å; H239-M247 WeakPolarHBondContact CA-O 3.46Å; H239-P249 HydrophobicContact CB-CG 3.82Å
240	S	87.4	Confident	90.4	Very high	7 Å²	7	9.7 Å²	9.7	5%	0.049	6%	0.055	C	C	.	.			trans	-83.6	142.7	171.5	-171	0	0	0	0	110.9	D242 M247 D264	S240-D242 WeakPolarHBondContact OG-CB 3.44Å; S240-D242 PolarHBondContact OG-N 3.33Å; S240-M247 PolarHBondContact N-O 2.83Å; S240-D264 VanDerWaalsContact CB-OD2 3.3Å; S240-D264 WeakPolarHBondContact CB-OD2 3.47Å; S240-D264 PolarHBondContact OG-OD2 3.39Å
241	D	80.1	Confident	90	Very high	59 Å²	59	10.6 Å²	10.6	32%	0.316	6%	0.058	S	C	.	.	S	Bend	trans	-83.9	-0.1	165.7	64.1	-11.1	0	0	0	112.4	F61 R99 P243	F61-D241 HydrophobicContact CD2-CB 3.81Å; F61-D241 HydrophobicContact CE2-CB 3.85Å; F61-D241 HydrophobicContact CG-CB 4.36Å; F61-D241 HydrophobicContact CZ-CB 4.43Å; R99-D241 IonicContact CZ-OD2 3.11Å; R99-D241 IonicContact NH1-OD2 3.46Å; R99-D241 PolarHBondContact NH1-OD2 2.89Å; R99-D241 IonicContact NH2-OD2 2.69Å; R99-D241 PolarHBondContact NH2-OD2 2.71Å; D241-P243 WeakPolarHBondContact O-CD 3.21Å
242	D	79.4	Confident	89.3	Confident	21 Å²	21	12.1 Å²	12.1	11%	0.112	7%	0.066	C	C	.	.			trans	-78.2	107.2	166.3	-176.3	-14.4	0	0	0	109.3	S240 S244 A245 D264 K322	S240-D242 WeakPolarHBondContact OG-CB 3.44Å; S240-D242 PolarHBondContact OG-N 3.33Å; D242-S244 PolarHBondContact O-N 3.05Å; D242-S244 WeakPolarHBondContact OD1-CB 3.34Å; D242-S244 PolarHBondContact OD1-N 2.81Å; D242-S244 PolarHBondContact OD1-OG 2.76Å; D242-S244 PolarHBondContact OD2-OG 3.42Å; D242-A245 HydrophobicContact CB-CB 4.18Å; D242-A245 VanDerWaalsContact O-CB 3.3Å; D242-A245 WeakPolarHBondContact O-CB 3.35Å; D242-A245 PolarHBondContact O-N 3.11Å; D242-D264 HydrophobicContact CB-CB 4.49Å; D242-K322 IonicContact OD1-NZ 2.67Å; D242-K322 PolarHBondContact OD1-NZ 3.36Å; D242-K322 IonicContact OD2-NZ 2.74Å; D242-K322 PolarHBondContact OD2-NZ 3.04Å
243	P	78.3	Confident	88.8	Confident	26 Å²	26	14 Å²	14	17%	0.169	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-7	-178.3	29.2	-40	0	0	0	114	D241 Q252 P339	D241-P243 WeakPolarHBondContact O-CD 3.21Å; P243-Q252 PolarHBondContact O-NE2 2.68Å; P243-Q252 PolarHBondContact O-OE1 3.36Å; P243-P339 HydrophobicContact CB-CG 4.16Å; P243-P339 HydrophobicContact CG-CB 4.44Å; P243-P339 HydrophobicContact CG-CG 3.26Å
244	S	79.6	Confident	88.2	Confident	21 Å²	21	16 Å²	16	15%	0.147	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-4.8	174.6	71.1	0	0	0	0	114.4	D242 K322	D242-S244 PolarHBondContact O-N 3.05Å; D242-S244 WeakPolarHBondContact OD1-CB 3.34Å; D242-S244 PolarHBondContact OD1-N 2.81Å; D242-S244 PolarHBondContact OD1-OG 2.76Å; D242-S244 PolarHBondContact OD2-OG 3.42Å; S244-K322 VanDerWaalsContact CB-CD 3.46Å; S244-K322 WeakPolarHBondContact OG-CD 3.36Å; S244-K322 WeakPolarHBondContact OG-CE 3.49Å; S244-K322 PolarHBondContact OG-NZ 3.3Å
245	A	88.4	Confident	87.6	Confident	1 Å²	1	20 Å²	20	1%	0.008	10%	0.1	C	C	.	.	S	Bend	trans	-67.2	147.3	173.6	0	0	0	0	0	109.4	D242 M247 A248 D264 D265	D242-A245 HydrophobicContact CB-CB 4.18Å; D242-A245 VanDerWaalsContact O-CB 3.3Å; D242-A245 WeakPolarHBondContact O-CB 3.35Å; D242-A245 PolarHBondContact O-N 3.11Å; A245-M247 PolarHBondContact O-N 3.07Å; A245-A248 VanDerWaalsContact O-CB 3.27Å; A245-A248 WeakPolarHBondContact O-CB 3.37Å; A245-A248 PolarHBondContact O-N 3.36Å; A245-A248 VanDerWaalsContact O-N 3.11Å; A245-D264 HydrophobicContact CB-CB 4.23Å; A245-D265 VanDerWaalsContact CA-OD2 3.31Å; A245-D265 WeakPolarHBondContact CA-OD2 3.17Å; A245-D265 WeakPolarHBondContact CB-OD1 3.12Å
246	I	94.4	Very high	87.1	Confident	8 Å²	8	20.3 Å²	20.3	4%	0.041	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-31.2	169.1	-168.1	61.7	0	0	0	109.5	W141 V228 H229 A248 F254 F259 L261 D265	W141-I246 HydrophobicContact CH2-CG2 4.44Å; W141-I246 HydrophobicContact CZ2-CG2 4.42Å; V228-I246 HydrophobicContact CB-CG1 4.24Å; V228-I246 HydrophobicContact CG1-CG1 3.82Å; V228-I246 HydrophobicContact CG1-CG2 4.03Å; H229-I246 HydrophobicContact CB-CG1 4.36Å; H229-I246 PolarHBondContact ND1-O 3.08Å; I246-A248 PolarHBondContact O-N 3.13Å; I246-F254 HydrophobicContact CD1-CD2 3.67Å; I246-F254 HydrophobicContact CD1-CE2 3.49Å; I246-F254 VanDerWaalsContact CD1-CE2 3.49Å; I246-F254 HydrophobicContact CD1-CZ 4.24Å; I246-F259 HydrophobicContact CB-CZ 4.39Å; I246-F259 HydrophobicContact CD1-CZ 4.42Å; I246-F259 HydrophobicContact CG1-CZ 4.29Å; I246-L261 HydrophobicContact CG2-CD2 4.12Å; I246-D265 HydrophobicContact CG2-CB 4.04Å; I246-D265 VanDerWaalsContact CG2-CG 3.45Å; I246-D265 WeakPolarHBondContact CG2-OD1 3.38Å; I246-D265 PolarHBondContact N-OD1 2.93Å; I246-D265 PolarHBondContact N-OD2 3.35Å
247	M	95.1	Very high	86.8	Confident	3 Å²	3	25.4 Å²	25.4	2%	0.015	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	8.2	173.3	-62.8	-51.2	-59.2	0	0	114.7	W141 H229 H233 L237 H239 S240 A245 D265	W141-M247 HydrophobicContact CZ2-SD 4.41Å; H229-M247 WeakPolarHBondContact O-CE 3.24Å; H233-M247 WeakPolarHBondContact CE1-CE 3.17Å; H233-M247 WeakPolarHBondContact ND1-CE 3.37Å; L237-M247 HydrophobicContact CB-CE 4Å; L237-M247 HydrophobicContact CB-CG 4.2Å; L237-M247 HydrophobicContact CB-SD 4.35Å; L237-M247 HydrophobicContact CD1-CG 3.85Å; L237-M247 HydrophobicContact CD1-SD 4.23Å; H239-M247 CarbonylContact C-O 3.52Å; H239-M247 VanDerWaalsContact CA-O 3.29Å; H239-M247 WeakPolarHBondContact CA-O 3.46Å; S240-M247 PolarHBondContact N-O 2.83Å; A245-M247 PolarHBondContact O-N 3.07Å; M247-D265 VanDerWaalsContact CB-OD1 3.27Å; M247-D265 WeakPolarHBondContact CB-OD1 3.22Å; M247-D265 WeakPolarHBondContact CG-OD1 3.47Å; M247-D265 PolarHBondContact N-OD1 3.08Å
248	A	91.5	Very high	86.3	Confident	5 Å²	5	30.8 Å²	30.8	4%	0.041	15%	0.154	C	C	.	.	S	Bend	trans	-66.4	138.5	169.1	0	0	0	0	0	109.8	H229 A245 I246 F250	H229-A248 PolarHBondContact CE1-O 2.88Å; H229-A248 PolarHBondContact ND1-O 3.06Å; A245-A248 VanDerWaalsContact O-CB 3.27Å; A245-A248 WeakPolarHBondContact O-CB 3.37Å; A245-A248 PolarHBondContact O-N 3.36Å; A245-A248 VanDerWaalsContact O-N 3.11Å; I246-A248 PolarHBondContact O-N 3.13Å; A248-F250 PolarHBondContact O-N 2.87Å
249	P	91.6	Very high	86.3	Confident	5 Å²	5	31.1 Å²	31.1	3%	0.032	16%	0.156	C	C	.	.	S	Bend	trans	-66	-36.5	-170.6	-14.3	20.1	0	0	0	114	F61 Y62 R82 C83 D87 H239	F61-P249 HydrophobicContact CD1-CG 4.36Å; F61-P249 HydrophobicContact CE1-CG 3.59Å; Y62-P249 HydrophobicContact CD1-CG 4.46Å; Y62-P249 HydrophobicContact CE1-CB 3.79Å; Y62-P249 HydrophobicContact CE1-CG 3.53Å; R82-P249 CarbonylContact C-O 2.94Å; R82-P249 WeakPolarHBondContact CA-O 3.44Å; R82-P249 WeakPolarHBondContact CB-O 3.39Å; C83-P249 PolarHBondContact N-O 3.05Å; D87-P249 WeakPolarHBondContact OD1-CG 3.31Å; H239-P249 HydrophobicContact CB-CG 3.82Å
250	F	90.4	Very high	86.3	Confident	12 Å²	12	38.6 Å²	38.6	5%	0.053	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-75	133.8	178.8	-68.1	-47.8	0	0	0	110.5	Y62 A77 R80 R82 A248 Q252	Y62-F250 AromaticContact CD1-CD2 3.49Å; Y62-F250 HydrophobicContact CD1-CD2 3.49Å; Y62-F250 VanDerWaalsContact CD1-CD2 3.49Å; Y62-F250 AromaticContact CD1-CE2 3.06Å; Y62-F250 HydrophobicContact CD1-CE2 3.06Å; Y62-F250 HydrophobicContact CD1-CG 4.38Å; Y62-F250 AromaticContact CD1-CZ 3.64Å; Y62-F250 HydrophobicContact CD1-CZ 3.64Å; Y62-F250 HydrophobicContact CD2-CE2 4.34Å; Y62-F250 HydrophobicContact CD2-CZ 4.35Å; Y62-F250 HydrophobicContact CE1-CD1 4.4Å; Y62-F250 AromaticContact CE1-CD2 3.76Å; Y62-F250 HydrophobicContact CE1-CD2 3.76Å; Y62-F250 HydrophobicContact CE1-CE1 4.07Å; Y62-F250 AromaticContact CE1-CE2 3.43Å; Y62-F250 HydrophobicContact CE1-CE2 3.43Å; Y62-F250 VanDerWaalsContact CE1-CE2 3.43Å; Y62-F250 HydrophobicContact CE1-CG 4.22Å; Y62-F250 AromaticContact CE1-CZ 3.57Å; Y62-F250 HydrophobicContact CE1-CZ 3.57Å; Y62-F250 HydrophobicContact CE2-CZ 4.36Å; Y62-F250 HydrophobicContact CG-CD2 4.37Å; Y62-F250 AromaticContact CG-CE2 3.56Å; Y62-F250 HydrophobicContact CG-CE2 3.56Å; Y62-F250 HydrophobicContact CG-CZ 4.01Å; Y62-F250 AromaticContact CZ-CZ 3.95Å; A77-F250 HydrophobicContact CB-CE2 4.27Å; A77-F250 HydrophobicContact CB-CZ 4.11Å; A77-F250 WeakPolarHBondContact O-CE1 3.27Å; A77-F250 VanDerWaalsContact O-CZ 3.22Å; A77-F250 WeakPolarHBondContact O-CZ 3.27Å; R80-F250 HydrophobicContact CB-CD1 3.81Å; R80-F250 HydrophobicContact CB-CE1 4.13Å; R80-F250 HydrophobicContact CB-CG 4.36Å; R82-F250 HydrophobicContact CB-CD1 3.9Å; R82-F250 HydrophobicContact CB-CE1 4.45Å; A248-F250 PolarHBondContact O-N 2.87Å; F250-Q252 PolarHBondContact O-N 3.31Å
251	Y	88.8	Confident	86.5	Confident	21 Å²	21	39 Å²	39	8%	0.082	19%	0.192	C	C	.	.			trans	-58.7	132	174.3	175.7	-104.9	0	0	0	111	P81 L189 G220 D222 L225 V226	P81-Y251 WeakPolarHBondContact O-CB 3.36Å; P81-Y251 PolarHBondContact O-N 2.97Å; L189-Y251 HydrophobicContact CD1-CD2 3.73Å; L189-Y251 HydrophobicContact CD1-CG 3.68Å; G220-Y251 PolarHBondContact O-OH 3.21Å; D222-Y251 PolarHBondContact N-OH 3Å; L225-Y251 HydrophobicContact CB-CE2 4.27Å; V226-Y251 HydrophobicContact CG2-CD2 3.89Å; V226-Y251 HydrophobicContact CG2-CE2 3.91Å
252	Q	84.9	Confident	87	Confident	34 Å²	34	37.3 Å²	37.3	16%	0.159	18%	0.184	C	C	.	.			trans	-138.5	140.1	178.3	-68.8	177.2	55.2	0	0	108.8	P243 F250 F254	P243-Q252 PolarHBondContact O-NE2 2.68Å; P243-Q252 PolarHBondContact O-OE1 3.36Å; F250-Q252 PolarHBondContact O-N 3.31Å; Q252-F254 HydrophobicContact CB-CE2 3.92Å; Q252-F254 WeakPolarHBondContact O-CD2 3.35Å
253	W	85.7	Confident	87.4	Confident	40 Å²	40	40.5 Å²	40.5	15%	0.152	20%	0.201	C	C	.	.			trans	-83.1	133.6	177.7	-170.6	91.7	0	0	0	110.1	D217 L225 E255	D217-W253 HydrophobicContact CB-CD2 3.89Å; D217-W253 HydrophobicContact CB-CG 3.83Å; D217-W253 HydrophobicContact CB-CZ2 4.48Å; L225-W253 HydrophobicContact CD1-CG 4.28Å; W253-E255 HydrophobicContact CH2-CB 4.25Å; W253-E255 HydrophobicContact CZ3-CB 4.34Å
254	F	83.3	Confident	87.9	Confident	42 Å²	42	40.3 Å²	40.3	18%	0.184	20%	0.199	C	C	.	.			trans	-122.4	154.6	173.2	-65.3	-103.1	0	0	0	109.7	L225 I246 Q252 T256 F259 P262	L225-F254 HydrophobicContact CD1-CB 4.29Å; L225-F254 HydrophobicContact CD1-CD2 4.49Å; L225-F254 VanDerWaalsContact CD1-N 3.25Å; L225-F254 HydrophobicContact CD2-CB 3.78Å; L225-F254 HydrophobicContact CD2-CD2 4.36Å; L225-F254 HydrophobicContact CD2-CG 4.49Å; I246-F254 HydrophobicContact CD1-CD2 3.67Å; I246-F254 HydrophobicContact CD1-CE2 3.49Å; I246-F254 VanDerWaalsContact CD1-CE2 3.49Å; I246-F254 HydrophobicContact CD1-CZ 4.24Å; Q252-F254 HydrophobicContact CB-CE2 3.92Å; Q252-F254 WeakPolarHBondContact O-CD2 3.35Å; F254-T256 WeakPolarHBondContact O-CG2 3.42Å; F254-T256 PolarHBondContact O-N 2.85Å; F254-T256 VanDerWaalsContact O-N 3.16Å; F254-F259 HydrophobicContact CB-CD2 3.95Å; F254-F259 HydrophobicContact CB-CE2 3.75Å; F254-F259 HydrophobicContact CD1-CE2 4.23Å; F254-F259 AromaticContact CG-CE2 3.96Å; F254-F259 HydrophobicContact CG-CE2 3.96Å; F254-P262 HydrophobicContact CE1-CG 4.08Å
255	E	81.6	Confident	88.5	Confident	84 Å²	84	39.4 Å²	39.4	39%	0.393	19%	0.193	S	C	.	.			trans	-63	118.6	172.1	-176.3	171.1	-134.8	0	0	110.1	W253 F259 R369	W253-E255 HydrophobicContact CH2-CB 4.25Å; W253-E255 HydrophobicContact CZ3-CB 4.34Å; E255-F259 WeakPolarHBondContact O-CA 3.35Å; E255-F259 WeakPolarHBondContact O-CB 3.49Å; E255-R369 IonicContact OE1-NH1 3.49Å; E255-R369 PolarHBondContact OE1-NH1 3.4Å
256	T	86.6	Confident	88.8	Confident	6 Å²	6	43.4 Å²	43.4	4%	0.037	21%	0.207	C	C	.	.	S	Bend	trans	-86.4	-27.4	-171.6	64.2	0	0	0	0	112.8	K136 G214 T215 F224 L225 F254	K136-T256 WeakPolarHBondContact CE-O 3.15Å; K136-T256 PolarHBondContact NZ-O 2.88Å; G214-T256 PolarHBondContact O-OG1 2.81Å; T215-T256 WeakPolarHBondContact CA-OG1 3.41Å; F224-T256 HydrophobicContact CD1-CG2 3.86Å; F224-T256 HydrophobicContact CE1-CG2 4.32Å; L225-T256 HydrophobicContact CD1-CG2 4.34Å; L225-T256 HydrophobicContact CD2-CG2 4.09Å; L225-T256 HydrophobicContact CG-CG2 4.08Å; F254-T256 WeakPolarHBondContact O-CG2 3.42Å; F254-T256 PolarHBondContact O-N 2.85Å; F254-T256 VanDerWaalsContact O-N 3.16Å
257	E	81.6	Confident	88.6	Confident	108 Å²	108	48.5 Å²	48.5	51%	0.505	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-53	-172.7	-169	169.6	-170.5	0	0	112.2	T215	T215-E257 HydrophobicContact CG2-CB 3.91Å; T215-E257 HydrophobicContact CG2-CG 4.34Å
258	N	83.6	Confident	88.4	Confident	116 Å²	116	48.5 Å²	48.5	62%	0.62	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.3	40.6	178.3	-64	-55.3	0	0	0	111.4	Q260	N258-Q260 PolarHBondContact O-N 2.91Å
259	F	90.1	Very high	88.6	Confident	28 Å²	28	48.2 Å²	48.2	12%	0.123	23%	0.225	C	C	.	.			trans	-56.5	130.6	-176.2	-176.7	-89.5	0	0	0	111.4	V140 F224 L225 V228 I246 F254 E255 L261	V140-F259 HydrophobicContact CG1-CD1 3.91Å; V140-F259 HydrophobicContact CG1-CE1 3.69Å; V140-F259 HydrophobicContact CG2-CD1 3.86Å; V140-F259 HydrophobicContact CG2-CE1 4.38Å; F224-F259 HydrophobicContact CE1-CB 3.81Å; F224-F259 HydrophobicContact CE1-CD1 4.32Å; F224-F259 HydrophobicContact CE1-CD2 4.01Å; F224-F259 AromaticContact CE1-CG 3.78Å; F224-F259 HydrophobicContact CE1-CG 3.78Å; F224-F259 HydrophobicContact CZ-CB 3.8Å; F224-F259 AromaticContact CZ-CD1 3.9Å; F224-F259 HydrophobicContact CZ-CD1 3.9Å; F224-F259 HydrophobicContact CZ-CD2 4.41Å; F224-F259 AromaticContact CZ-CG 3.76Å; F224-F259 HydrophobicContact CZ-CG 3.76Å; L225-F259 HydrophobicContact CD2-CD2 4.05Å; L225-F259 HydrophobicContact CD2-CE2 3.95Å; V228-F259 HydrophobicContact CG1-CE1 4.12Å; V228-F259 HydrophobicContact CG1-CZ 4.2Å; I246-F259 HydrophobicContact CB-CZ 4.39Å; I246-F259 HydrophobicContact CD1-CZ 4.42Å; I246-F259 HydrophobicContact CG1-CZ 4.29Å; F254-F259 HydrophobicContact CB-CD2 3.95Å; F254-F259 HydrophobicContact CB-CE2 3.75Å; F254-F259 HydrophobicContact CD1-CE2 4.23Å; F254-F259 AromaticContact CG-CE2 3.96Å; F254-F259 HydrophobicContact CG-CE2 3.96Å; E255-F259 WeakPolarHBondContact O-CA 3.35Å; E255-F259 WeakPolarHBondContact O-CB 3.49Å; F259-L261 HydrophobicContact CE1-CD2 4.22Å
260	Q	89.4	Confident	88.7	Confident	163 Å²	163	49.9 Å²	49.9	76%	0.762	23%	0.232	S	C	*	.			trans	-124.7	139.1	172.2	-64.5	-174.3	8.7	0	0	109	N258 P262	N258-Q260 PolarHBondContact O-N 2.91Å; Q260-P262 WeakPolarHBondContact O-CD 3.38Å
261	L	92.3	Very high	88.7	Confident	15 Å²	15	51.1 Å²	51.1	8%	0.079	24%	0.244	C	C	.	.			trans	-58.8	125.9	174.4	-78.2	169.3	0	0	0	109.9	V140 W141 A144 V228 I246 F259 D265 R266	V140-L261 HydrophobicContact CG1-CD1 4.01Å; V140-L261 HydrophobicContact CG1-CD2 3.69Å; V140-L261 HydrophobicContact CG1-CG 3.53Å; W141-L261 HydrophobicContact CD2-CD1 4.42Å; W141-L261 HydrophobicContact CD2-CD2 4.46Å; W141-L261 HydrophobicContact CE3-CD1 3.68Å; W141-L261 HydrophobicContact CE3-CD2 4.12Å; W141-L261 HydrophobicContact CH2-CD2 3.72Å; W141-L261 HydrophobicContact CZ2-CD2 4.08Å; W141-L261 HydrophobicContact CZ3-CD1 3.79Å; W141-L261 HydrophobicContact CZ3-CD2 3.73Å; W141-L261 HydrophobicContact CZ3-CG 4.44Å; A144-L261 HydrophobicContact CB-CD1 3.8Å; V228-L261 HydrophobicContact CG1-CD2 4.28Å; I246-L261 HydrophobicContact CG2-CD2 4.12Å; F259-L261 HydrophobicContact CE1-CD2 4.22Å; L261-D265 HydrophobicContact CD2-CB 4.19Å; L261-R266 HydrophobicContact CB-CB 4.19Å; L261-R266 PolarHBondContact O-NH1 3.48Å
262	P	91.1	Very high	88.7	Confident	24 Å²	24	51.4 Å²	51.4	16%	0.156	25%	0.247	C	C	.	.			trans	-55.6	155.2	169.9	-20	29.9	0	0	0	111.5	F254 Q260 D264 D265 R266	F254-P262 HydrophobicContact CE1-CG 4.08Å; Q260-P262 WeakPolarHBondContact O-CD 3.38Å; P262-D264 VanDerWaalsContact C-N 3.25Å; P262-D264 PolarHBondContact O-N 2.84Å; P262-D265 WeakPolarHBondContact CB-OD2 3.37Å; P262-D265 VanDerWaalsContact CD-OD2 3.23Å; P262-D265 WeakPolarHBondContact CD-OD2 3.34Å; P262-D265 VanDerWaalsContact CG-OD2 3.23Å; P262-D265 WeakPolarHBondContact CG-OD2 3.14Å; P262-D265 PolarHBondContact O-N 2.89Å; P262-R266 PolarHBondContact O-N 3.38Å
263	D	87.5	Confident	89.1	Confident	88 Å²	88	51.2 Å²	51.2	47%	0.471	25%	0.245	S	C	.	.	H	α-helix	trans	-61	-33.4	-171.7	-77.9	-7	0	0	0	113.6	R266 R267	D263-R266 IonicContact OD1-CZ 3.57Å; D263-R266 IonicContact OD1-NH1 2.73Å; D263-R266 PolarHBondContact OD1-NH1 3.23Å; D263-R266 IonicContact OD1-NH2 3.54Å; D263-R266 PolarHBondContact OD1-NH2 3.33Å; D263-R267 WeakPolarHBondContact O-CB 3.06Å; D263-R267 VanDerWaalsContact O-CG 3.25Å; D263-R267 WeakPolarHBondContact O-CG 3.49Å; D263-R267 PolarHBondContact O-N 2.81Å; D263-R267 VanDerWaalsContact O-N 3.1Å; D263-R267 PolarHBondContact O-NE 3.15Å
264	D	88.5	Confident	89.3	Confident	23 Å²	23	50.6 Å²	50.6	12%	0.123	25%	0.251	C	S	.	.	H	α-helix	trans	-65.2	-50.9	177.5	-169.9	54.7	0	0	0	111	S240 D242 A245 P262 R266 R267 G268	S240-D264 VanDerWaalsContact CB-OD2 3.3Å; S240-D264 WeakPolarHBondContact CB-OD2 3.47Å; S240-D264 PolarHBondContact OG-OD2 3.39Å; D242-D264 HydrophobicContact CB-CB 4.49Å; A245-D264 HydrophobicContact CB-CB 4.23Å; P262-D264 VanDerWaalsContact C-N 3.25Å; P262-D264 PolarHBondContact O-N 2.84Å; D264-R266 PolarHBondContact O-N 2.63Å; D264-R267 PolarHBondContact O-N 3.49Å; D264-G268 PolarHBondContact O-N 3.38Å
265	D	93.3	Very high	89.6	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.011	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-45.6	-180	-49.3	-74.4	0	0	0	111.8	W141 A245 I246 M247 L261 P262 R267 G268 I269	W141-D265 HydrophobicContact CH2-CB 4.2Å; A245-D265 VanDerWaalsContact CA-OD2 3.31Å; A245-D265 WeakPolarHBondContact CA-OD2 3.17Å; A245-D265 WeakPolarHBondContact CB-OD1 3.12Å; I246-D265 HydrophobicContact CG2-CB 4.04Å; I246-D265 VanDerWaalsContact CG2-CG 3.45Å; I246-D265 WeakPolarHBondContact CG2-OD1 3.38Å; I246-D265 PolarHBondContact N-OD1 2.93Å; I246-D265 PolarHBondContact N-OD2 3.35Å; M247-D265 VanDerWaalsContact CB-OD1 3.27Å; M247-D265 WeakPolarHBondContact CB-OD1 3.22Å; M247-D265 WeakPolarHBondContact CG-OD1 3.47Å; M247-D265 PolarHBondContact N-OD1 3.08Å; L261-D265 HydrophobicContact CD2-CB 4.19Å; P262-D265 WeakPolarHBondContact CB-OD2 3.37Å; P262-D265 VanDerWaalsContact CD-OD2 3.23Å; P262-D265 WeakPolarHBondContact CD-OD2 3.34Å; P262-D265 VanDerWaalsContact CG-OD2 3.23Å; P262-D265 WeakPolarHBondContact CG-OD2 3.14Å; P262-D265 PolarHBondContact O-N 2.89Å; D265-R267 PolarHBondContact O-N 2.91Å; D265-G268 PolarHBondContact O-N 2.78Å; D265-I269 WeakPolarHBondContact O-CG2 3.15Å; D265-I269 PolarHBondContact O-N 2.95Å
266	R	94.4	Very high	89.3	Confident	85 Å²	85	51 Å²	51	32%	0.321	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-43	178.3	-173	178.1	68.2	-106.3	0.9	111.7	A144 L261 P262 D263 D264 I269 Q270	A144-R266 HydrophobicContact CB-CG 4.45Å; L261-R266 HydrophobicContact CB-CB 4.19Å; L261-R266 PolarHBondContact O-NH1 3.48Å; P262-R266 PolarHBondContact O-N 3.38Å; D263-R266 IonicContact OD1-CZ 3.57Å; D263-R266 IonicContact OD1-NH1 2.73Å; D263-R266 PolarHBondContact OD1-NH1 3.23Å; D263-R266 IonicContact OD1-NH2 3.54Å; D263-R266 PolarHBondContact OD1-NH2 3.33Å; D264-R266 PolarHBondContact O-N 2.63Å; R266-I269 WeakPolarHBondContact O-CG2 3.36Å; R266-Q270 VanDerWaalsContact O-CB 3.3Å; R266-Q270 WeakPolarHBondContact O-CB 3.32Å; R266-Q270 WeakPolarHBondContact O-CG 3.31Å; R266-Q270 PolarHBondContact O-N 3.38Å; R266-Q270 VanDerWaalsContact O-N 3.16Å
267	R	89.5	Confident	88.5	Confident	114 Å²	114	55.7 Å²	55.7	43%	0.43	29%	0.287	S	S	.	.	H	α-helix	trans	-71.7	-39.1	177.3	-71.9	-177.6	-59.6	-140.9	5	111.7	Y102 D263 D264 D265 A271	Y102-R267 HydrophobicContact CE1-CB 3.81Å; D263-R267 WeakPolarHBondContact O-CB 3.06Å; D263-R267 VanDerWaalsContact O-CG 3.25Å; D263-R267 WeakPolarHBondContact O-CG 3.49Å; D263-R267 PolarHBondContact O-N 2.81Å; D263-R267 VanDerWaalsContact O-N 3.1Å; D263-R267 PolarHBondContact O-NE 3.15Å; D264-R267 PolarHBondContact O-N 3.49Å; D265-R267 PolarHBondContact O-N 2.91Å; R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.18Å; R267-A271 PolarHBondContact O-N 3.34Å
268	G	91.4	Very high	87.1	Confident	3 Å²	3	53.7 Å²	53.7	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-57.3	-51.1	176.6	0	0	0	0	0	111.4	D264 D265 A271 I272	D264-G268 PolarHBondContact O-N 3.38Å; D265-G268 PolarHBondContact O-N 2.78Å; G268-A271 WeakPolarHBondContact O-CB 3.31Å; G268-A271 PolarHBondContact O-N 2.92Å; G268-I272 PolarHBondContact O-N 3.36Å
269	I	94.5	Very high	85.3	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-70.2	-38.5	-177	-162.5	67	0	0	0	112.1	W141 A144 I145 L235 L237 D265 R266 A271 I272 Y273	W141-I269 HydrophobicContact CE3-CB 4.14Å; W141-I269 HydrophobicContact CE3-CD1 4.39Å; W141-I269 HydrophobicContact CE3-CG1 3.89Å; W141-I269 HydrophobicContact CE3-CG2 4.07Å; W141-I269 HydrophobicContact CZ3-CB 3.8Å; W141-I269 HydrophobicContact CZ3-CD1 4.43Å; W141-I269 HydrophobicContact CZ3-CG1 4.01Å; W141-I269 HydrophobicContact CZ3-CG2 3.86Å; A144-I269 HydrophobicContact CB-CG2 4.34Å; I145-I269 HydrophobicContact CD1-CD1 4.48Å; I145-I269 HydrophobicContact CD1-CG1 4Å; I145-I269 HydrophobicContact CG2-CB 4.25Å; I145-I269 HydrophobicContact CG2-CG1 3.72Å; I145-I269 HydrophobicContact CG2-CG2 3.77Å; L235-I269 HydrophobicContact CB-CD1 3.7Å; L235-I269 HydrophobicContact CD1-CD1 4.16Å; L237-I269 HydrophobicContact CD1-CB 4.2Å; L237-I269 HydrophobicContact CD1-CD1 4.13Å; L237-I269 HydrophobicContact CD2-CB 4.48Å; L237-I269 HydrophobicContact CD2-CD1 4.5Å; L237-I269 HydrophobicContact CG-CD1 4.08Å; D265-I269 WeakPolarHBondContact O-CG2 3.15Å; D265-I269 PolarHBondContact O-N 2.95Å; R266-I269 WeakPolarHBondContact O-CG2 3.36Å; I269-A271 PolarHBondContact O-N 3.29Å; I269-I272 WeakPolarHBondContact O-CB 3.29Å; I269-I272 PolarHBondContact O-N 2.95Å; I269-Y273 HydrophobicContact CD1-CD2 3.78Å; I269-Y273 HydrophobicContact CD1-CE2 3.71Å; I269-Y273 HydrophobicContact CG1-CD2 4.07Å; I269-Y273 HydrophobicContact CG1-CE2 4.49Å; I269-Y273 PolarHBondContact O-N 2.87Å
270	Q	93.9	Very high	83	Confident	40 Å²	40	56.2 Å²	56.2	19%	0.187	32%	0.319	C	S	.	.	H	α-helix	trans	-68.6	-25	175.6	-72.5	177.6	-15.4	0	0	112.3	A144 I145 R266 I272 G274	A144-Q270 PolarHBondContact O-NE2 3.19Å; I145-Q270 HydrophobicContact CG2-CG 4.25Å; R266-Q270 VanDerWaalsContact O-CB 3.3Å; R266-Q270 WeakPolarHBondContact O-CB 3.32Å; R266-Q270 WeakPolarHBondContact O-CG 3.31Å; R266-Q270 PolarHBondContact O-N 3.38Å; R266-Q270 VanDerWaalsContact O-N 3.16Å; Q270-I272 PolarHBondContact O-N 3.07Å; Q270-G274 WeakPolarHBondContact O-CA 3.43Å; Q270-G274 PolarHBondContact O-N 3.14Å
271	A	90.3	Very high	81.1	Confident	37 Å²	37	51.9 Å²	51.9	31%	0.306	31%	0.305	S	S	.	.	H	α-helix	trans	-73.7	-11.9	171.6	0	0	0	0	0	113.2	Y102 R104 R267 G268 I269	Y102-A271 HydrophobicContact CD2-CB 4.07Å; Y102-A271 HydrophobicContact CE2-CB 4.3Å; R104-A271 PolarHBondContact NH1-O 2.98Å; R104-A271 VanDerWaalsContact NH1-O 3.16Å; R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.18Å; R267-A271 PolarHBondContact O-N 3.34Å; G268-A271 WeakPolarHBondContact O-CB 3.31Å; G268-A271 PolarHBondContact O-N 2.92Å; I269-A271 PolarHBondContact O-N 3.29Å
272	I	89.9	Confident	78.7	Confident	28 Å²	28	56.7 Å²	56.7	14%	0.144	34%	0.337	C	S	.	.	H	α-helix	trans	-95.1	-50.2	173.2	-58.4	174.3	0	0	0	110.4	R104 K108 L237 G268 I269 Q270	R104-I272 HydrophobicContact CG-CD1 4.16Å; R104-I272 HydrophobicContact CG-CG1 4.09Å; K108-I272 HydrophobicContact CB-CG2 3.51Å; K108-I272 HydrophobicContact CD-CG2 4.18Å; K108-I272 HydrophobicContact CG-CG2 4.48Å; L237-I272 HydrophobicContact CD2-CD1 3.91Å; L237-I272 HydrophobicContact CG-CD1 4.43Å; G268-I272 PolarHBondContact O-N 3.36Å; I269-I272 WeakPolarHBondContact O-CB 3.29Å; I269-I272 PolarHBondContact O-N 2.95Å; Q270-I272 PolarHBondContact O-N 3.07Å
273	Y	92.9	Very high	76.2	Confident	30 Å²	30	60.7 Å²	60.7	12%	0.118	36%	0.363	C	S	.	.	H	α-helix	trans	-110.6	-7.3	-169.6	-61.3	-73.2	0	0	0	115.3	K108 W109 I145 P146 L147 L235 I269	K108-Y273 HydrophobicContact CB-CE1 4.03Å; W109-Y273 HydrophobicContact CB-CE1 4.23Å; W109-Y273 PolarHBondContact N-OH 3.2Å; W109-Y273 VanDerWaalsContact N-OH 3.07Å; I145-Y273 HydrophobicContact CD1-CD2 3.73Å; I145-Y273 HydrophobicContact CD1-CE2 4.35Å; I145-Y273 HydrophobicContact CD1-CG 4.11Å; P146-Y273 WeakPolarHBondContact CD-O 3.45Å; P146-Y273 WeakPolarHBondContact CG-O 3.34Å; L147-Y273 HydrophobicContact CD1-CD1 3.7Å; L147-Y273 HydrophobicContact CD1-CD2 4.22Å; L147-Y273 HydrophobicContact CD1-CE1 3.56Å; L147-Y273 HydrophobicContact CD1-CE2 4.09Å; L147-Y273 HydrophobicContact CD1-CG 4.04Å; L147-Y273 HydrophobicContact CD2-CD1 4.13Å; L147-Y273 HydrophobicContact CD2-CE1 4.39Å; L147-Y273 HydrophobicContact CG-CD1 3.87Å; L147-Y273 HydrophobicContact CG-CE1 4.21Å; L147-Y273 HydrophobicContact CG-CG 4.16Å; L235-Y273 HydrophobicContact CB-CE2 4.21Å; L235-Y273 WeakPolarHBondContact O-CE2 3.36Å; L235-Y273 PolarHBondContact O-OH 2.72Å; I269-Y273 HydrophobicContact CD1-CD2 3.78Å; I269-Y273 HydrophobicContact CD1-CE2 3.71Å; I269-Y273 HydrophobicContact CG1-CD2 4.07Å; I269-Y273 HydrophobicContact CG1-CE2 4.49Å; I269-Y273 PolarHBondContact O-N 2.87Å
274	G	90.1	Very high	73.7	Confident	27 Å²	27	61.2 Å²	61.2	28%	0.278	37%	0.372	S	S	.	.			trans	81	-179.8	-170.4	0	0	0	0	0	113.1	P146 Q270	P146-G274 WeakPolarHBondContact CD-O 3.43Å; Q270-G274 WeakPolarHBondContact O-CA 3.43Å; Q270-G274 PolarHBondContact O-N 3.14Å
275	S	88.2	Confident	71.4	Confident	23 Å²	23	68.2 Å²	68.2	16%	0.161	40%	0.396	C	S	.	.			trans	-97.8	148	178.1	80	0	0	0	0	111	S277 G278 V279	S275-S277 VanDerWaalsContact C-N 3.26Å; S275-S277 PolarHBondContact O-N 2.82Å; S275-G278 PolarHBondContact O-N 3.09Å; S275-V279 PolarHBondContact OG-O 3.13Å
276	K	76.8	Confident	68.6	Low	112 Å²	112	74 Å²	74	49%	0.487	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-26.9	178.2	-163.7	171.8	-168	162.9	0	113.5	E142 G278	E142-K276 PolarHBondContact O-NZ 2.83Å; K276-G278 VanDerWaalsContact C-N 3.26Å; K276-G278 PolarHBondContact O-N 3.02Å
277	S	69.1	Low	65.7	Low	104 Å²	104	74.7 Å²	74.7	73%	0.727	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	1.2	-176.4	-46.4	0	0	0	0	114	S275 V279	S275-S277 VanDerWaalsContact C-N 3.26Å; S275-S277 PolarHBondContact O-N 2.82Å; S277-V279 PolarHBondContact O-N 2.79Å
278	G	52.6	Low	63	Low	66 Å²	66	78.7 Å²	78.7	68%	0.68	47%	0.468	S	S	*	.	S	Bend	trans	67	-2.7	-177.3	0	0	0	0	0	114.7	S275 K276 P280	S275-G278 PolarHBondContact O-N 3.09Å; K276-G278 VanDerWaalsContact C-N 3.26Å; K276-G278 PolarHBondContact O-N 3.02Å; G278-P280 WeakPolarHBondContact O-CD 3.17Å
279	V	45.1	Very low	60.3	Low	100 Å²	100	88.2 Å²	88.2	61%	0.606	51%	0.512	S	S	*	.			trans	-80	113.8	172	-176.6	0	0	0	0	107.1	S275 S277	S275-V279 PolarHBondContact OG-O 3.13Å; S277-V279 PolarHBondContact O-N 2.79Å
280	P	43.3	Very low	57.4	Low	97 Å²	97	92.3 Å²	92.3	63%	0.63	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-57.2	139.3	175.1	-16.6	29.1	0	0	0	108.4	G278	G278-P280 WeakPolarHBondContact O-CD 3.17Å
281	P	47.7	Very low	54.4	Low	71 Å²	71	99.2 Å²	99.2	46%	0.461	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-51.7	135.1	164.3	22.7	-30.1	0	0	0	107.4
282	P	42.6	Very low	51.8	Low	116 Å²	116	103.8 Å²	103.8	75%	0.753	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-51.6	132.5	-175.5	18.1	-29.8	0	0	0	108.9
283	P	38.2	Very low	49.2	Very low	109 Å²	109	109.3 Å²	109.3	71%	0.708	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-54.1	141.3	-176.6	19.1	-30	0	0	0	109.2	R285	P283-R285 PolarHBondContact O-N 3.38Å
284	P	36.4	Very low	46.5	Very low	99 Å²	99	116 Å²	116	64%	0.643	66%	0.656	S	S	*	*			trans	-56.6	114.5	174.8	22.1	-29.4	0	0	0	107.5
285	R	38.4	Very low	44	Very low	170 Å²	170	118.1 Å²	118.1	64%	0.642	67%	0.665	S	S	*	*			trans	-50.4	133.2	177.6	-161.5	174.8	-157.6	-158.2	4.4	107.9	P283 T287	P283-R285 PolarHBondContact O-N 3.38Å; R285-T287 PolarHBondContact O-N 3.44Å
286	P	34.7	Very low	42	Very low	123 Å²	123	124.2 Å²	124.2	80%	0.799	70%	0.696	S	S	*	*			trans	-57	105.6	178.3	-19.6	29.3	0	0	0	108.7	K288	P286-K288 PolarHBondContact O-N 2.81Å
287	T	33.7	Very low	41.1	Very low	99 Å²	99	126.1 Å²	126.1	61%	0.607	71%	0.707	S	S	*	*			trans	-69.1	101	168.3	38.9	0	0	0	0	106.1	R285 Q289	R285-T287 PolarHBondContact O-N 3.44Å; T287-Q289 PolarHBondContact O-N 2.89Å
288	K	32.4	Very low	40.8	Very low	198 Å²	198	122.1 Å²	122.1	86%	0.861	68%	0.682	S	S	*	*			trans	-47.3	126.4	152.5	-81.9	-176.3	176	-179.5	0	106.1	P286 S290	P286-K288 PolarHBondContact O-N 2.81Å; K288-S290 VanDerWaalsContact C-N 3.32Å; K288-S290 PolarHBondContact O-N 3.02Å
289	Q	35.5	Very low	42.4	Very low	203 Å²	203	120 Å²	120	95%	0.949	66%	0.656	S	S	*	*			trans	-54	94.2	-179.8	-74.8	172.1	-21.8	0	0	109.7	T287	T287-Q289 PolarHBondContact O-N 2.89Å
290	S	34.4	Very low	44.3	Very low	87 Å²	87	118.1 Å²	118.1	61%	0.608	64%	0.642	S	S	*	*			trans	-86.9	142.7	148.2	53.1	0	0	0	0	107.1	K288	K288-S290 VanDerWaalsContact C-N 3.32Å; K288-S290 PolarHBondContact O-N 3.02Å
291	K	31.1	Very low	46.5	Very low	184 Å²	184	114.1 Å²	114.1	80%	0.8	62%	0.616	S	S	*	*			trans	-44.9	155.4	179.8	-70.7	175.7	179.6	179.2	0	112.2	D293	K291-D293 PolarHBondContact O-N 2.9Å
292	P	34	Very low	48.6	Very low	133 Å²	133	111.4 Å²	111.4	86%	0.864	60%	0.598	S	S	*	*			trans	-60	108.8	-169.5	24.5	-33.4	0	0	0	110.9
293	D	35.8	Very low	50.7	Low	144 Å²	144	108.6 Å²	108.6	77%	0.77	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-77	145.3	171.2	-76	-39.4	0	0	0	110.2	K291	K291-D293 PolarHBondContact O-N 2.9Å
294	K	36.1	Very low	53.2	Low	170 Å²	170	103.4 Å²	103.4	74%	0.739	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-60.4	165.2	-174.4	-74.1	174.1	177.2	177.8	0	113.1
295	P	38.9	Very low	55.8	Low	72 Å²	72	104.2 Å²	104.2	47%	0.468	54%	0.536	S	S	.	.	S	Bend	trans	-58.1	146.5	-178.7	-13.9	28.1	0	0	0	111	E297	P295-E297 PolarHBondContact O-N 2.89Å
296	D	45.4	Very low	58.5	Low	152 Å²	152	96.4 Å²	96.4	81%	0.813	51%	0.507	S	S	*	.			trans	-37.5	86.7	-174.1	-138.5	11.6	0	0	0	113.9
297	E	56.9	Low	61.4	Low	152 Å²	152	91.9 Å²	91.9	71%	0.71	48%	0.476	S	S	*	.			trans	-76.6	130.1	167.7	-74.9	174.2	178.7	0	0	106.1	P295	P295-E297 PolarHBondContact O-N 2.89Å
298	G	64.6	Low	64.4	Low	20 Å²	20	87.2 Å²	87.2	21%	0.206	45%	0.448	C	S	.	.			trans	-55.6	-176.3	177.5	0	0	0	0	0	113.3
299	P	84.6	Confident	67.4	Low	22 Å²	22	77.8 Å²	77.8	14%	0.143	41%	0.407	C	S	.	.			trans	-50.8	147.9	-171.6	19.7	-31	0	0	0	112.6	I301 W323 W325	P299-I301 PolarHBondContact O-N 2.83Å; P299-W323 VanDerWaalsContact CD-NE1 3.27Å; P299-W323 HydrophobicContact CG-CB 4.18Å; P299-W323 VanDerWaalsContact CG-CD1 3.46Å; P299-W323 HydrophobicContact CG-CG 3.81Å; P299-W325 HydrophobicContact CB-CH2 4.4Å; P299-W325 HydrophobicContact CB-CZ2 4.34Å; P299-W325 HydrophobicContact CG-CH2 3.77Å; P299-W325 HydrophobicContact CG-CZ2 3.85Å; P299-W325 VanDerWaalsContact O-CZ2 3.26Å; P299-W325 WeakPolarHBondContact O-CZ2 3.17Å
300	D	86.6	Confident	70.2	Confident	59 Å²	59	68.2 Å²	68.2	32%	0.316	36%	0.362	S	S	.	.			trans	-70.9	129.2	172.6	-178.3	-14.1	0	0	0	107.9	C302 E303 K497	D300-C302 PolarHBondContact O-N 2.87Å; D300-C302 VanDerWaalsContact O-N 3.09Å; D300-C302 WeakPolarHBondContact OD1-CB 3.12Å; D300-C302 PolarHBondContact OD1-N 2.81Å; D300-E303 HydrophobicContact CB-CG 4.18Å; D300-E303 PolarHBondContact N-OE1 3.15Å; D300-E303 VanDerWaalsContact O-CB 3.25Å; D300-E303 WeakPolarHBondContact O-CB 3.08Å; D300-E303 WeakPolarHBondContact O-CG 3.3Å; D300-E303 PolarHBondContact O-N 2.8Å; D300-K497 WeakPolarHBondContact OD2-CD 3.4Å; D300-K497 IonicContact OD2-NZ 2.72Å; D300-K497 PolarHBondContact OD2-NZ 3.01Å
301	I	89.3	Confident	72.8	Confident	14 Å²	14	66.4 Å²	66.4	7%	0.072	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-56.7	-27.5	177	-160.6	170.1	0	0	0	111.7	P299 E303 G304 F306 W325 L327 V332 M489	P299-I301 PolarHBondContact O-N 2.83Å; I301-E303 PolarHBondContact O-N 2.99Å; I301-G304 PolarHBondContact O-N 3.4Å; I301-F306 HydrophobicContact CG1-CE1 4.02Å; I301-F306 HydrophobicContact CG1-CZ 3.91Å; I301-F306 VanDerWaalsContact O-CZ 3.31Å; I301-F306 WeakPolarHBondContact O-CZ 3.47Å; I301-W325 HydrophobicContact CB-CD2 4.33Å; I301-W325 HydrophobicContact CB-CZ2 4.33Å; I301-W325 HydrophobicContact CD1-CB 3.95Å; I301-W325 HydrophobicContact CD1-CD2 4Å; I301-W325 HydrophobicContact CD1-CG 3.7Å; I301-W325 HydrophobicContact CG1-CD2 4Å; I301-W325 HydrophobicContact CG1-CE3 4.43Å; I301-W325 HydrophobicContact CG1-CG 4.19Å; I301-L327 HydrophobicContact CD1-CD1 4.02Å; I301-L327 HydrophobicContact CD1-CD2 4.32Å; I301-V332 HydrophobicContact CD1-CG2 3.36Å; I301-V332 HydrophobicContact CG2-CG2 4.08Å; I301-M489 HydrophobicContact CD1-CB 4.2Å; I301-M489 HydrophobicContact CD1-CG 4.19Å; I301-M489 HydrophobicContact CD1-SD 3.43Å; I301-M489 WeakPolarHBondContact CD1-SD 3.49Å; I301-M489 HydrophobicContact CG1-CB 4.21Å; I301-M489 HydrophobicContact CG1-CG 4.15Å; I301-M489 HydrophobicContact CG1-SD 3.9Å; I301-M489 HydrophobicContact CG2-CB 4.34Å
302	C	90.4	Very high	75.3	Confident	13 Å²	13	57.7 Å²	57.7	9%	0.088	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-75.5	-4.4	177.1	-61.1	0	0	0	0	114.2	D300 C491 P496 K497	D300-C302 PolarHBondContact O-N 2.87Å; D300-C302 VanDerWaalsContact O-N 3.09Å; D300-C302 WeakPolarHBondContact OD1-CB 3.12Å; D300-C302 PolarHBondContact OD1-N 2.81Å; C302-C491 WeakPolarHBondContact CA-SG 3.46Å; C302-C491 HydrophobicContact CB-CB 3.96Å; C302-C491 WeakPolarHBondContact CB-SG 3.1Å; C302-C491 WeakPolarHBondContact SG-CB 3.13Å; C302-C491 CovalentContact SG-SG 2.04Å; C302-C491 PolarHBondContact SG-SG 3.24Å; C302-P496 WeakPolarHBondContact O-CA 3.49Å; C302-K497 HydrophobicContact CB-CD 4.02Å; C302-K497 HydrophobicContact CB-CG 4.11Å; C302-K497 PolarHBondContact O-N 3.03Å
303	E	88.2	Confident	77.4	Confident	58 Å²	58	57.5 Å²	57.5	27%	0.271	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-69.6	-23.1	165.5	-67.2	172	-165.8	0	0	112.1	D300 I301 K320 P496	D300-E303 HydrophobicContact CB-CG 4.18Å; D300-E303 PolarHBondContact N-OE1 3.15Å; D300-E303 VanDerWaalsContact O-CB 3.25Å; D300-E303 WeakPolarHBondContact O-CB 3.08Å; D300-E303 WeakPolarHBondContact O-CG 3.3Å; D300-E303 PolarHBondContact O-N 2.8Å; I301-E303 PolarHBondContact O-N 2.99Å; E303-K320 IonicContact OE2-NZ 2.92Å; E303-K320 PolarHBondContact OE2-NZ 3.17Å; E303-P496 WeakPolarHBondContact O-CB 3.25Å
304	G	89.5	Confident	79.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.284	C	S	.	.			trans	61.3	-151.2	-177.6	0	0	0	0	0	114.1	I301 K320	I301-G304 PolarHBondContact O-N 3.4Å; G304-K320 WeakPolarHBondContact O-CD 3.09Å; G304-K320 WeakPolarHBondContact O-CE 3.4Å; G304-K320 PolarHBondContact O-NZ 3.21Å
305	H	91.2	Very high	81.4	Confident	116 Å²	116	46.5 Å²	46.5	54%	0.537	25%	0.253	S	S	.	.			trans	57.4	55	-176	-63.2	-79.4	0	0	0	112.6	N464	H305-N464 WeakPolarHBondContact CA-OD1 3.41Å; H305-N464 PolarHBondContact CD2-ND2 3.05Å; H305-N464 PolarHBondContact CE1-ND2 3.1Å; H305-N464 PolarHBondContact N-OD1 3.28Å; H305-N464 PolarHBondContact NE2-ND2 3.05Å; H305-N464 VanDerWaalsContact NE2-ND2 3.15Å
306	F	95.2	Very high	83.7	Confident	5 Å²	5	44 Å²	44	2%	0.022	24%	0.235	C	C	.	.			trans	-71.4	144.4	-179.2	-48.4	-56.9	0	0	0	111.2	I301 I309 V318 F319 K320 W325 Y461 V484 L485 M489	I301-F306 HydrophobicContact CG1-CE1 4.02Å; I301-F306 HydrophobicContact CG1-CZ 3.91Å; I301-F306 VanDerWaalsContact O-CZ 3.31Å; I301-F306 WeakPolarHBondContact O-CZ 3.47Å; F306-I309 HydrophobicContact CB-CG1 4.4Å; F306-I309 HydrophobicContact CD2-CD1 4.07Å; F306-I309 HydrophobicContact CD2-CG1 4.48Å; F306-V318 HydrophobicContact CB-CG1 3.96Å; F306-V318 HydrophobicContact CD1-CG1 3.24Å; F306-V318 HydrophobicContact CD2-CG1 3.75Å; F306-V318 HydrophobicContact CE1-CG1 3.54Å; F306-V318 HydrophobicContact CE2-CG1 4.02Å; F306-V318 HydrophobicContact CG-CG1 3.35Å; F306-V318 HydrophobicContact CZ-CG1 3.91Å; F306-F319 CarbonylContact C-O 3.47Å; F306-F319 WeakPolarHBondContact CA-O 3.22Å; F306-F319 WeakPolarHBondContact CB-O 3.33Å; F306-K320 HydrophobicContact CD1-CB 4.33Å; F306-W325 HydrophobicContact CD1-CZ3 4.39Å; F306-W325 HydrophobicContact CE1-CZ3 4.36Å; F306-Y461 HydrophobicContact CB-CE1 4.05Å; F306-Y461 HydrophobicContact CD2-CE2 4.27Å; F306-Y461 AromaticContact CD2-CZ 3.83Å; F306-Y461 WeakPolarHBondContact CD2-OH 3.33Å; F306-Y461 PolarHBondContact N-OH 2.97Å; F306-Y461 VanDerWaalsContact N-OH 3.14Å; F306-V484 HydrophobicContact CD2-CG1 4.46Å; F306-V484 HydrophobicContact CE2-CG1 3.97Å; F306-L485 HydrophobicContact CE2-CD2 4.07Å; F306-L485 HydrophobicContact CZ-CD2 4.01Å; F306-M489 HydrophobicContact CD2-CE 4.36Å; F306-M489 HydrophobicContact CE2-CE 3.73Å; F306-M489 HydrophobicContact CE2-CG 4.06Å; F306-M489 HydrophobicContact CE2-SD 4.21Å; F306-M489 HydrophobicContact CZ-CE 4.22Å; F306-M489 HydrophobicContact CZ-CG 3.96Å; F306-M489 HydrophobicContact CZ-SD 4.13Å
307	D	94.9	Very high	85.9	Confident	28 Å²	28	37.4 Å²	37.4	15%	0.15	20%	0.199	C	C	.	.	S	Bend	trans	-68.6	-47	175.4	-69.1	-45.3	0	0	0	110.8	F319 K320 D321 N350 I351	D307-F319 PolarHBondContact N-O 2.95Å; D307-K320 WeakPolarHBondContact OD2-CA 3.35Å; D307-D321 PolarHBondContact OD2-N 3.42Å; D307-N350 WeakPolarHBondContact OD2-CA 3.4Å; D307-N350 PolarHBondContact OD2-OD1 2.74Å; D307-I351 WeakPolarHBondContact CB-O 3.35Å
308	T	96.6	Very high	87.7	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	161.6	177.9	-162.7	0	0	0	0	111	F319 I351 A354 K447	T308-F319 HydrophobicContact CG2-CB 4.03Å; T308-F319 HydrophobicContact CG2-CD2 3.97Å; T308-F319 HydrophobicContact CG2-CG 4.27Å; T308-F319 PolarHBondContact O-N 3.49Å; T308-I351 HydrophobicContact CG2-CD1 3.61Å; T308-I351 HydrophobicContact CG2-CG1 3.74Å; T308-A354 HydrophobicContact CG2-CB 4.44Å; T308-K447 PolarHBondContact OG1-O 3.28Å; T308-K447 VanDerWaalsContact OG1-O 3.05Å
309	I	96.6	Very high	89.1	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	124.6	178.2	-56.5	174	0	0	0	107.2	F306 K316 F317 V318 A448 F450 Y461 V484 W488 M489	F306-I309 HydrophobicContact CB-CG1 4.4Å; F306-I309 HydrophobicContact CD2-CD1 4.07Å; F306-I309 HydrophobicContact CD2-CG1 4.48Å; I309-K316 HydrophobicContact CG2-CD 4.18Å; I309-K316 HydrophobicContact CG2-CG 3.73Å; I309-F317 CarbonylContact C-O 3.59Å; I309-F317 WeakPolarHBondContact CA-O 2.93Å; I309-V318 HydrophobicContact CG1-CG1 4.35Å; I309-V318 HydrophobicContact CG1-CG2 4.38Å; I309-V318 HydrophobicContact CG2-CG2 4.23Å; I309-A448 HydrophobicContact CB-CB 3.98Å; I309-A448 VanDerWaalsContact N-CB 3.3Å; I309-A448 VanDerWaalsContact O-CB 3.28Å; I309-A448 WeakPolarHBondContact O-CB 3.49Å; I309-F450 HydrophobicContact CB-CE1 4.13Å; I309-F450 HydrophobicContact CG2-CD1 4.19Å; I309-F450 HydrophobicContact CG2-CE1 3.63Å; I309-F450 HydrophobicContact CG2-CZ 4.34Å; I309-Y461 HydrophobicContact CD1-CD1 3.98Å; I309-Y461 HydrophobicContact CD1-CD2 3.88Å; I309-Y461 HydrophobicContact CD1-CE1 4.24Å; I309-Y461 HydrophobicContact CD1-CE2 4.09Å; I309-Y461 HydrophobicContact CD1-CG 3.81Å; I309-Y461 HydrophobicContact CG1-CD1 4.29Å; I309-V484 HydrophobicContact CD1-CG1 4.35Å; I309-W488 HydrophobicContact CD1-CE3 4.12Å; I309-W488 HydrophobicContact CD1-CZ3 3.86Å; I309-M489 HydrophobicContact CD1-CE 4.27Å
310	A	94.1	Very high	89.5	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.9	-179.4	0	0	0	0	0	111.2	L312 F317 A354	A310-L312 HydrophobicContact CB-CD2 4.22Å; A310-L312 HydrophobicContact CB-CG 4.2Å; A310-F317 PolarHBondContact N-O 2.73Å; A310-F317 PolarHBondContact O-N 2.79Å; A310-A354 HydrophobicContact CB-CB 3.76Å; A310-A354 WeakPolarHBondContact CB-O 3.16Å
311	I	88.4	Confident	89.4	Confident	49 Å²	49	30.3 Å²	30.3	25%	0.251	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.6	166.4	-56.6	-68.3	0	0	0	106.8	E315 K316 F450	I311-E315 CarbonylContact C-O 3.57Å; I311-E315 VanDerWaalsContact CA-O 3.26Å; I311-E315 WeakPolarHBondContact CA-O 3.17Å; I311-K316 HydrophobicContact CD1-CB 3.84Å; I311-K316 HydrophobicContact CD1-CG 4.19Å; I311-F450 HydrophobicContact CB-CB 4.47Å; I311-F450 HydrophobicContact CD1-CD2 3.93Å; I311-F450 HydrophobicContact CD1-CE2 4.19Å; I311-F450 HydrophobicContact CD1-CG 4.36Å; I311-F450 HydrophobicContact CG1-CB 3.67Å; I311-F450 HydrophobicContact CG1-CD2 3.54Å; I311-F450 HydrophobicContact CG1-CE2 4.3Å; I311-F450 HydrophobicContact CG1-CG 3.68Å
312	L	83.2	Confident	89	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.4	178.1	-52.2	175.7	0	0	0	107.6	A310 G314 E315 F317 W344 E356 F362 F364	A310-L312 HydrophobicContact CB-CD2 4.22Å; A310-L312 HydrophobicContact CB-CG 4.2Å; L312-G314 PolarHBondContact O-N 2.78Å; L312-E315 PolarHBondContact N-O 2.88Å; L312-E315 PolarHBondContact O-N 2.92Å; L312-F317 HydrophobicContact CB-CD2 3.76Å; L312-F317 HydrophobicContact CB-CE2 3.75Å; L312-F317 HydrophobicContact CB-CZ 4.46Å; L312-F317 HydrophobicContact CD1-CB 4.37Å; L312-F317 HydrophobicContact CD1-CD1 4.33Å; L312-F317 HydrophobicContact CD1-CD2 4.12Å; L312-F317 HydrophobicContact CD1-CE2 4.48Å; L312-F317 HydrophobicContact CD1-CG 4.03Å; L312-F317 HydrophobicContact CG-CD2 4.07Å; L312-F317 HydrophobicContact CG-CE2 4.49Å; L312-F317 HydrophobicContact CG-CG 4.41Å; L312-F317 WeakPolarHBondContact O-CE2 3.3Å; L312-W344 HydrophobicContact CD1-CH2 4.4Å; L312-W344 HydrophobicContact CD1-CZ2 4.14Å; L312-E356 HydrophobicContact CD2-CB 4.07Å; L312-F362 HydrophobicContact CB-CD1 4.28Å; L312-F362 HydrophobicContact CB-CE1 4.07Å; L312-F362 HydrophobicContact CB-CZ 4.23Å; L312-F362 HydrophobicContact CD1-CD2 4.19Å; L312-F362 HydrophobicContact CD1-CG 4.23Å; L312-F362 HydrophobicContact CD2-CB 4.34Å; L312-F362 HydrophobicContact CD2-CD1 3.9Å; L312-F362 HydrophobicContact CD2-CG 4.11Å; L312-F362 HydrophobicContact CG-CD1 4.48Å; L312-F364 HydrophobicContact CD1-CE1 4.48Å; L312-F364 HydrophobicContact CD1-CZ 4.18Å
313	R	79.4	Confident	88.7	Confident	129 Å²	129	33.5 Å²	33.5	49%	0.487	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	36.7	-174.3	-57.1	-60.2	-163.7	-163.9	10.6	113.4	E315 E356 G360 F362 E375	R313-E315 PolarHBondContact O-N 3.43Å; R313-E356 IonicContact CZ-OE1 3.88Å; R313-E356 PolarHBondContact N-OE2 2.85Å; R313-E356 IonicContact NE-OE1 2.65Å; R313-E356 IonicContact NH1-OE1 3.52Å; R313-E356 PolarHBondContact NH1-OE1 3.28Å; R313-G360 PolarHBondContact NH1-O 3.4Å; R313-F362 HydrophobicContact CG-CE1 3.91Å; R313-F362 HydrophobicContact CG-CZ 3.64Å; R313-E375 IonicContact NH2-OE1 2.66Å
314	G	74.8	Confident	88.6	Confident	65 Å²	65	30.8 Å²	30.8	67%	0.67	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	1.7	-179.4	0	0	0	0	0	115.2	L312	L312-G314 PolarHBondContact O-N 2.78Å
315	E	80.6	Confident	88.6	Confident	19 Å²	19	31 Å²	31	9%	0.089	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	153.4	175.7	-63.4	-173.7	152.9	0	0	111.6	I311 L312 R313 F317 R326 R328	I311-E315 CarbonylContact C-O 3.57Å; I311-E315 VanDerWaalsContact CA-O 3.26Å; I311-E315 WeakPolarHBondContact CA-O 3.17Å; L312-E315 PolarHBondContact N-O 2.88Å; L312-E315 PolarHBondContact O-N 2.92Å; R313-E315 PolarHBondContact O-N 3.43Å; E315-F317 HydrophobicContact CB-CD2 4.37Å; E315-F317 HydrophobicContact CB-CE2 3.88Å; E315-F317 WeakPolarHBondContact O-CD2 3.47Å; E315-R326 IonicContact OE1-NH2 2.92Å; E315-R326 IonicContact OE2-CZ 2.73Å; E315-R326 IonicContact OE2-NE 2.95Å; E315-R326 PolarHBondContact OE2-NE 3Å; E315-R326 IonicContact OE2-NH2 3.81Å; E315-R326 PolarHBondContact OE2-NH2 3.17Å; E315-R328 IonicContact OE1-CZ 2.63Å; E315-R328 IonicContact OE1-NE 3.54Å; E315-R328 PolarHBondContact OE1-NE 2.89Å; E315-R328 IonicContact OE1-NH2 3.2Å; E315-R328 PolarHBondContact OE1-NH2 3.03Å
316	K	86.9	Confident	88.1	Confident	20 Å²	20	28.8 Å²	28.8	9%	0.087	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	119.7	-179.9	-174.9	-176.2	-63.1	164.7	0	110	I309 I311 V318 L327 D330	I309-K316 HydrophobicContact CG2-CD 4.18Å; I309-K316 HydrophobicContact CG2-CG 3.73Å; I311-K316 HydrophobicContact CD1-CB 3.84Å; I311-K316 HydrophobicContact CD1-CG 4.19Å; K316-V318 HydrophobicContact CG-CG2 4.27Å; K316-L327 HydrophobicContact CB-CB 4.18Å; K316-L327 PolarHBondContact N-O 3.2Å; K316-L327 VanDerWaalsContact N-O 3.15Å; K316-L327 PolarHBondContact O-N 2.95Å; K316-D330 IonicContact NZ-OD1 3.88Å; K316-D330 PolarHBondContact NZ-OD1 2.68Å
317	F	91.1	Very high	87.6	Confident	13 Å²	13	28.6 Å²	28.6	6%	0.057	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.9	175.4	-72.5	-110.1	0	0	0	108.8	I309 A310 L312 E315 F319 F324 W325 R326 W344	I309-F317 CarbonylContact C-O 3.59Å; I309-F317 WeakPolarHBondContact CA-O 2.93Å; A310-F317 PolarHBondContact N-O 2.73Å; A310-F317 PolarHBondContact O-N 2.79Å; L312-F317 HydrophobicContact CB-CD2 3.76Å; L312-F317 HydrophobicContact CB-CE2 3.75Å; L312-F317 HydrophobicContact CB-CZ 4.46Å; L312-F317 HydrophobicContact CD1-CB 4.37Å; L312-F317 HydrophobicContact CD1-CD1 4.33Å; L312-F317 HydrophobicContact CD1-CD2 4.12Å; L312-F317 HydrophobicContact CD1-CE2 4.48Å; L312-F317 HydrophobicContact CD1-CG 4.03Å; L312-F317 HydrophobicContact CG-CD2 4.07Å; L312-F317 HydrophobicContact CG-CE2 4.49Å; L312-F317 HydrophobicContact CG-CG 4.41Å; L312-F317 WeakPolarHBondContact O-CE2 3.3Å; E315-F317 HydrophobicContact CB-CD2 4.37Å; E315-F317 HydrophobicContact CB-CE2 3.88Å; E315-F317 WeakPolarHBondContact O-CD2 3.47Å; F317-F319 HydrophobicContact CB-CD2 4.41Å; F317-F319 HydrophobicContact CB-CE2 3.6Å; F317-F319 HydrophobicContact CB-CZ 4.12Å; F317-F319 HydrophobicContact CD1-CZ 4.49Å; F317-F324 AromaticContact CD1-CD2 3.7Å; F317-F324 HydrophobicContact CD1-CD2 3.7Å; F317-F324 AromaticContact CD1-CE2 3.73Å; F317-F324 HydrophobicContact CD1-CE2 3.73Å; F317-F324 HydrophobicContact CE1-CD2 4.26Å; F317-F324 AromaticContact CE1-CE2 3.8Å; F317-F324 HydrophobicContact CE1-CE2 3.8Å; F317-W325 WeakPolarHBondContact CA-O 3.32Å; F317-R326 HydrophobicContact CD1-CG 3.62Å; F317-R326 HydrophobicContact CD2-CG 4.46Å; F317-R326 VanDerWaalsContact CE1-CD 3.49Å; F317-R326 HydrophobicContact CE1-CG 3.31Å; F317-R326 HydrophobicContact CE2-CG 4.17Å; F317-R326 HydrophobicContact CG-CG 4.21Å; F317-R326 HydrophobicContact CZ-CG 3.61Å; F317-W344 AromaticContact CD1-CH2 3.63Å; F317-W344 HydrophobicContact CD1-CH2 3.63Å; F317-W344 HydrophobicContact CD1-CZ2 4.43Å; F317-W344 AromaticContact CE1-CH2 3.64Å; F317-W344 HydrophobicContact CE1-CH2 3.64Å; F317-W344 HydrophobicContact CE1-CZ2 4.14Å
318	V	95.4	Very high	86.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.6	-178.3	179.6	0	0	0	0	107.4	F306 I309 K316 F324 W325 L327 M489	F306-V318 HydrophobicContact CB-CG1 3.96Å; F306-V318 HydrophobicContact CD1-CG1 3.24Å; F306-V318 HydrophobicContact CD2-CG1 3.75Å; F306-V318 HydrophobicContact CE1-CG1 3.54Å; F306-V318 HydrophobicContact CE2-CG1 4.02Å; F306-V318 HydrophobicContact CG-CG1 3.35Å; F306-V318 HydrophobicContact CZ-CG1 3.91Å; I309-V318 HydrophobicContact CG1-CG1 4.35Å; I309-V318 HydrophobicContact CG1-CG2 4.38Å; I309-V318 HydrophobicContact CG2-CG2 4.23Å; K316-V318 HydrophobicContact CG-CG2 4.27Å; V318-F324 CarbonylContact O-C 3.48Å; V318-F324 WeakPolarHBondContact O-CA 3.4Å; V318-F324 VanDerWaalsContact O-CB 3.29Å; V318-F324 WeakPolarHBondContact O-CB 3.24Å; V318-W325 HydrophobicContact CB-CE3 4.18Å; V318-W325 HydrophobicContact CG1-CE3 4.06Å; V318-W325 HydrophobicContact CG1-CZ3 4.47Å; V318-W325 PolarHBondContact N-O 2.75Å; V318-W325 PolarHBondContact O-N 3.31Å; V318-L327 HydrophobicContact CB-CD1 4.31Å; V318-L327 HydrophobicContact CG2-CD1 3.64Å; V318-M489 HydrophobicContact CG1-CE 4.31Å; V318-M489 HydrophobicContact CG2-CE 3.54Å; V318-M489 HydrophobicContact CG2-SD 4Å
319	F	93.5	Very high	85.6	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.8	-176.8	-65.9	-95.8	0	0	0	110.9	F306 D307 T308 F317 F324 A340 W344 I351 F364	F306-F319 CarbonylContact C-O 3.47Å; F306-F319 WeakPolarHBondContact CA-O 3.22Å; F306-F319 WeakPolarHBondContact CB-O 3.33Å; D307-F319 PolarHBondContact N-O 2.95Å; T308-F319 HydrophobicContact CG2-CB 4.03Å; T308-F319 HydrophobicContact CG2-CD2 3.97Å; T308-F319 HydrophobicContact CG2-CG 4.27Å; T308-F319 PolarHBondContact O-N 3.49Å; F317-F319 HydrophobicContact CB-CD2 4.41Å; F317-F319 HydrophobicContact CB-CE2 3.6Å; F317-F319 HydrophobicContact CB-CZ 4.12Å; F317-F319 HydrophobicContact CD1-CZ 4.49Å; F319-F324 HydrophobicContact CD1-CB 3.57Å; F319-F324 HydrophobicContact CD1-CG 4.45Å; F319-F324 HydrophobicContact CE1-CB 3.74Å; F319-F324 HydrophobicContact CE1-CG 4.16Å; F319-F324 HydrophobicContact CG-CB 4.11Å; F319-F324 HydrophobicContact CZ-CB 4.39Å; F319-A340 HydrophobicContact CD1-CB 4.21Å; F319-A340 HydrophobicContact CE1-CB 4.09Å; F319-W344 HydrophobicContact CE1-CE3 4.19Å; F319-W344 HydrophobicContact CE1-CH2 4.21Å; F319-W344 AromaticContact CE1-CZ3 3.55Å; F319-W344 HydrophobicContact CE1-CZ3 3.55Å; F319-W344 HydrophobicContact CZ-CE3 4.49Å; F319-W344 AromaticContact CZ-CH2 3.81Å; F319-W344 HydrophobicContact CZ-CH2 3.81Å; F319-W344 AromaticContact CZ-CZ3 3.63Å; F319-W344 HydrophobicContact CZ-CZ3 3.63Å; F319-I351 HydrophobicContact CB-CD1 4.14Å; F319-I351 HydrophobicContact CB-CG1 4.14Å; F319-I351 HydrophobicContact CD1-CD1 3.69Å; F319-I351 HydrophobicContact CD1-CG1 4.27Å; F319-I351 HydrophobicContact CD2-CD1 3.94Å; F319-I351 HydrophobicContact CE1-CD1 4.01Å; F319-I351 HydrophobicContact CE2-CD1 4.24Å; F319-I351 HydrophobicContact CG-CD1 3.65Å; F319-I351 HydrophobicContact CG-CG1 4.18Å; F319-I351 HydrophobicContact CZ-CD1 4.29Å; F319-F364 HydrophobicContact CE1-CE1 4.24Å; F319-F364 HydrophobicContact CE2-CE1 4.36Å; F319-F364 AromaticContact CZ-CE1 3.73Å; F319-F364 HydrophobicContact CZ-CE1 3.73Å
320	K	92.8	Very high	84.6	Confident	21 Å²	21	44 Å²	44	9%	0.091	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	122.7	174.7	-176.9	-179.3	175.3	178.3	0	110	E303 G304 F306 D307 K322 W323 W325	E303-K320 IonicContact OE2-NZ 2.92Å; E303-K320 PolarHBondContact OE2-NZ 3.17Å; G304-K320 WeakPolarHBondContact O-CD 3.09Å; G304-K320 WeakPolarHBondContact O-CE 3.4Å; G304-K320 PolarHBondContact O-NZ 3.21Å; F306-K320 HydrophobicContact CD1-CB 4.33Å; D307-K320 WeakPolarHBondContact OD2-CA 3.35Å; K320-K322 PolarHBondContact O-N 2.72Å; K320-W323 PolarHBondContact N-O 3.34Å; K320-W323 WeakPolarHBondContact O-CA 3.43Å; K320-W323 WeakPolarHBondContact O-CB 3.5Å; K320-W323 PolarHBondContact O-N 3.41Å; K320-W323 VanDerWaalsContact O-O 3.09Å; K320-W325 HydrophobicContact CB-CH2 3.9Å; K320-W325 HydrophobicContact CB-CZ3 3.64Å; K320-W325 HydrophobicContact CD-CH2 4.17Å
321	D	86	Confident	83.8	Confident	79 Å²	79	51.5 Å²	51.5	42%	0.422	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	-121.3	-176.1	-55.5	-59	0	0	0	111	D307 N350	D307-D321 PolarHBondContact OD2-N 3.42Å; D321-N350 WeakPolarHBondContact CA-OD1 3.46Å; D321-N350 PolarHBondContact O-N 2.91Å; D321-N350 PolarHBondContact OD1-OD1 2.97Å
322	K	79.5	Confident	83.4	Confident	51 Å²	51	51.4 Å²	51.4	22%	0.222	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.9	172.6	58.9	173.1	171.8	174.9	0	113.2	D242 S244 K320 P339 A340	D242-K322 IonicContact OD1-NZ 2.67Å; D242-K322 PolarHBondContact OD1-NZ 3.36Å; D242-K322 IonicContact OD2-NZ 2.74Å; D242-K322 PolarHBondContact OD2-NZ 3.04Å; S244-K322 VanDerWaalsContact CB-CD 3.46Å; S244-K322 WeakPolarHBondContact OG-CD 3.36Å; S244-K322 WeakPolarHBondContact OG-CE 3.49Å; S244-K322 PolarHBondContact OG-NZ 3.3Å; K320-K322 PolarHBondContact O-N 2.72Å; K322-P339 CarbonylContact O-C 3.48Å; K322-P339 VanDerWaalsContact O-CA 3.24Å; K322-P339 WeakPolarHBondContact O-CA 3.25Å; K322-A340 PolarHBondContact O-N 3.43Å
323	W	84.3	Confident	82.6	Confident	43 Å²	43	53.4 Å²	53.4	16%	0.163	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	155.3	-169.8	-56	98.9	0	0	0	112.2	P299 K320 W325 P337 R338 P339	P299-W323 VanDerWaalsContact CD-NE1 3.27Å; P299-W323 HydrophobicContact CG-CB 4.18Å; P299-W323 VanDerWaalsContact CG-CD1 3.46Å; P299-W323 HydrophobicContact CG-CG 3.81Å; K320-W323 PolarHBondContact N-O 3.34Å; K320-W323 WeakPolarHBondContact O-CA 3.43Å; K320-W323 WeakPolarHBondContact O-CB 3.5Å; K320-W323 PolarHBondContact O-N 3.41Å; K320-W323 VanDerWaalsContact O-O 3.09Å; W323-W325 HydrophobicContact CB-CH2 4.34Å; W323-P337 HydrophobicContact CB-CB 4.18Å; W323-P337 HydrophobicContact CD2-CB 4.37Å; W323-P337 HydrophobicContact CE3-CB 3.93Å; W323-P337 HydrophobicContact CE3-CG 4.39Å; W323-R338 CarbonylContact C-O 3.52Å; W323-R338 WeakPolarHBondContact CA-O 3.29Å; W323-P339 HydrophobicContact CE3-CG 4.34Å; W323-P339 HydrophobicContact CZ3-CG 4.01Å
324	F	86.3	Confident	81.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	159.1	164.9	79.6	-74.6	0	0	0	111.6	F317 V318 F319 R326 Y336 P337 R338 A340 F343 W344	F317-F324 AromaticContact CD1-CD2 3.7Å; F317-F324 HydrophobicContact CD1-CD2 3.7Å; F317-F324 AromaticContact CD1-CE2 3.73Å; F317-F324 HydrophobicContact CD1-CE2 3.73Å; F317-F324 HydrophobicContact CE1-CD2 4.26Å; F317-F324 AromaticContact CE1-CE2 3.8Å; F317-F324 HydrophobicContact CE1-CE2 3.8Å; V318-F324 CarbonylContact O-C 3.48Å; V318-F324 WeakPolarHBondContact O-CA 3.4Å; V318-F324 VanDerWaalsContact O-CB 3.29Å; V318-F324 WeakPolarHBondContact O-CB 3.24Å; F319-F324 HydrophobicContact CD1-CB 3.57Å; F319-F324 HydrophobicContact CD1-CG 4.45Å; F319-F324 HydrophobicContact CE1-CB 3.74Å; F319-F324 HydrophobicContact CE1-CG 4.16Å; F319-F324 HydrophobicContact CG-CB 4.11Å; F319-F324 HydrophobicContact CZ-CB 4.39Å; F324-R326 HydrophobicContact CD2-CG 4.34Å; F324-R326 HydrophobicContact CE2-CG 3.89Å; F324-Y336 HydrophobicContact CD2-CE1 4.09Å; F324-Y336 HydrophobicContact CE1-CE1 4.29Å; F324-Y336 HydrophobicContact CE2-CD1 4.34Å; F324-Y336 AromaticContact CE2-CE1 3.49Å; F324-Y336 HydrophobicContact CE2-CE1 3.49Å; F324-Y336 VanDerWaalsContact CE2-CE1 3.49Å; F324-Y336 AromaticContact CZ-CE1 3.61Å; F324-Y336 HydrophobicContact CZ-CE1 3.61Å; F324-Y336 WeakPolarHBondContact O-CD1 3.42Å; F324-P337 WeakPolarHBondContact O-CA 3.25Å; F324-R338 HydrophobicContact CD1-CB 4.46Å; F324-R338 WeakPolarHBondContact CD1-O 3.42Å; F324-R338 HydrophobicContact CE1-CB 3.93Å; F324-R338 HydrophobicContact CZ-CB 4.47Å; F324-R338 PolarHBondContact N-O 2.84Å; F324-R338 PolarHBondContact O-N 3.06Å; F324-A340 HydrophobicContact CD1-CB 3.97Å; F324-F343 HydrophobicContact CE1-CB 4.31Å; F324-F343 AromaticContact CE1-CD2 3.4Å; F324-F343 HydrophobicContact CE1-CD2 3.4Å; F324-F343 VanDerWaalsContact CE1-CD2 3.4Å; F324-F343 AromaticContact CE1-CE2 3.88Å; F324-F343 HydrophobicContact CE1-CE2 3.88Å; F324-F343 AromaticContact CE1-CG 3.96Å; F324-F343 HydrophobicContact CE1-CG 3.96Å; F324-F343 HydrophobicContact CZ-CB 4.16Å; F324-F343 HydrophobicContact CZ-CD1 4.13Å; F324-F343 AromaticContact CZ-CD2 3.4Å; F324-F343 HydrophobicContact CZ-CD2 3.4Å; F324-F343 HydrophobicContact CZ-CE1 4.39Å; F324-F343 AromaticContact CZ-CE2 3.71Å; F324-F343 HydrophobicContact CZ-CE2 3.71Å; F324-F343 AromaticContact CZ-CG 3.61Å; F324-F343 HydrophobicContact CZ-CG 3.61Å; F324-F343 HydrophobicContact CZ-CZ 4.2Å; F324-W344 HydrophobicContact CD1-CZ3 4.26Å; F324-W344 HydrophobicContact CD2-CH2 4.37Å; F324-W344 HydrophobicContact CD2-CZ3 4.15Å; F324-W344 HydrophobicContact CE1-CZ3 4.16Å; F324-W344 HydrophobicContact CE2-CH2 4.08Å; F324-W344 HydrophobicContact CE2-CZ3 4.01Å; F324-W344 HydrophobicContact CG-CZ3 4.25Å; F324-W344 HydrophobicContact CZ-CH2 4.38Å; F324-W344 HydrophobicContact CZ-CZ3 4.02Å
325	W	90.6	Very high	80.6	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.6	170.3	-59	-101.8	0	0	0	109.4	P299 I301 F306 F317 V318 K320 W323 L327 V332 P337	P299-W325 HydrophobicContact CB-CH2 4.4Å; P299-W325 HydrophobicContact CB-CZ2 4.34Å; P299-W325 HydrophobicContact CG-CH2 3.77Å; P299-W325 HydrophobicContact CG-CZ2 3.85Å; P299-W325 VanDerWaalsContact O-CZ2 3.26Å; P299-W325 WeakPolarHBondContact O-CZ2 3.17Å; I301-W325 HydrophobicContact CB-CD2 4.33Å; I301-W325 HydrophobicContact CB-CZ2 4.33Å; I301-W325 HydrophobicContact CD1-CB 3.95Å; I301-W325 HydrophobicContact CD1-CD2 4Å; I301-W325 HydrophobicContact CD1-CG 3.7Å; I301-W325 HydrophobicContact CG1-CD2 4Å; I301-W325 HydrophobicContact CG1-CE3 4.43Å; I301-W325 HydrophobicContact CG1-CG 4.19Å; F306-W325 HydrophobicContact CD1-CZ3 4.39Å; F306-W325 HydrophobicContact CE1-CZ3 4.36Å; F317-W325 WeakPolarHBondContact CA-O 3.32Å; V318-W325 HydrophobicContact CB-CE3 4.18Å; V318-W325 HydrophobicContact CG1-CE3 4.06Å; V318-W325 HydrophobicContact CG1-CZ3 4.47Å; V318-W325 PolarHBondContact N-O 2.75Å; V318-W325 PolarHBondContact O-N 3.31Å; K320-W325 HydrophobicContact CB-CH2 3.9Å; K320-W325 HydrophobicContact CB-CZ3 3.64Å; K320-W325 HydrophobicContact CD-CH2 4.17Å; W323-W325 HydrophobicContact CB-CH2 4.34Å; W325-L327 HydrophobicContact CB-CD1 3.73Å; W325-V332 HydrophobicContact CB-CG1 4.44Å; W325-V332 HydrophobicContact CG-CG1 4.46Å; W325-P337 HydrophobicContact CD2-CB 4.19Å; W325-P337 HydrophobicContact CG-CB 4.46Å; W325-P337 HydrophobicContact CZ2-CB 3.79Å; W325-P337 HydrophobicContact CZ2-CG 4.16Å
326	R	81	Confident	79.9	Confident	70 Å²	70	53.2 Å²	53.2	26%	0.264	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.2	163.6	-74.4	172.4	74.9	-179.5	-3.3	109.8	E315 F317 F324 L333 Y336	E315-R326 IonicContact OE1-NH2 2.92Å; E315-R326 IonicContact OE2-CZ 2.73Å; E315-R326 IonicContact OE2-NE 2.95Å; E315-R326 PolarHBondContact OE2-NE 3Å; E315-R326 IonicContact OE2-NH2 3.81Å; E315-R326 PolarHBondContact OE2-NH2 3.17Å; F317-R326 HydrophobicContact CD1-CG 3.62Å; F317-R326 HydrophobicContact CD2-CG 4.46Å; F317-R326 VanDerWaalsContact CE1-CD 3.49Å; F317-R326 HydrophobicContact CE1-CG 3.31Å; F317-R326 HydrophobicContact CE2-CG 4.17Å; F317-R326 HydrophobicContact CG-CG 4.21Å; F317-R326 HydrophobicContact CZ-CG 3.61Å; F324-R326 HydrophobicContact CD2-CG 4.34Å; F324-R326 HydrophobicContact CE2-CG 3.89Å; R326-L333 HydrophobicContact CB-CD1 3.86Å; R326-L333 HydrophobicContact CB-CG 4.35Å; R326-L333 PolarHBondContact O-N 2.91Å; R326-Y336 HydrophobicContact CB-CD2 4.3Å; R326-Y336 HydrophobicContact CB-CE1 4.29Å; R326-Y336 HydrophobicContact CB-CE2 3.93Å; R326-Y336 VanDerWaalsContact CD-CZ 3.46Å; R326-Y336 WeakPolarHBondContact CD-OH 3.28Å; R326-Y336 HydrophobicContact CG-CE1 4.03Å; R326-Y336 HydrophobicContact CG-CE2 4.3Å
327	L	84.7	Confident	79.4	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.9	177.5	-68.4	77.7	0	0	0	109.8	I301 K316 V318 W325 K331 V332 W488 M489	I301-L327 HydrophobicContact CD1-CD1 4.02Å; I301-L327 HydrophobicContact CD1-CD2 4.32Å; K316-L327 HydrophobicContact CB-CB 4.18Å; K316-L327 PolarHBondContact N-O 3.2Å; K316-L327 VanDerWaalsContact N-O 3.15Å; K316-L327 PolarHBondContact O-N 2.95Å; V318-L327 HydrophobicContact CB-CD1 4.31Å; V318-L327 HydrophobicContact CG2-CD1 3.64Å; W325-L327 HydrophobicContact CB-CD1 3.73Å; L327-K331 VanDerWaalsContact CA-O 3.24Å; L327-K331 WeakPolarHBondContact CA-O 3.45Å; L327-V332 HydrophobicContact CD1-CG2 4.43Å; L327-V332 HydrophobicContact CD2-CG2 4.34Å; L327-V332 HydrophobicContact CG-CG2 4.1Å; L327-W488 WeakPolarHBondContact CD2-O 3.38Å; L327-M489 HydrophobicContact CD1-SD 4.44Å; L327-M489 HydrophobicContact CD2-CE 4.41Å; L327-M489 HydrophobicContact CD2-SD 3.47Å; L327-M489 WeakPolarHBondContact CD2-SD 3.42Å
328	R	74.8	Confident	78.3	Confident	138 Å²	138	55 Å²	55	52%	0.521	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.2	170.9	-168.5	-176.1	-70	-177.1	-3.6	107.8	E315 D330 K331 L333	E315-R328 IonicContact OE1-CZ 2.63Å; E315-R328 IonicContact OE1-NE 3.54Å; E315-R328 PolarHBondContact OE1-NE 2.89Å; E315-R328 IonicContact OE1-NH2 3.2Å; E315-R328 PolarHBondContact OE1-NH2 3.03Å; R328-D330 VanDerWaalsContact C-N 3.27Å; R328-D330 PolarHBondContact O-N 3.14Å; R328-K331 PolarHBondContact N-O 3.2Å; R328-K331 PolarHBondContact O-N 2.93Å; R328-K331 VanDerWaalsContact O-N 3.14Å; R328-L333 HydrophobicContact CB-CD2 3.9Å; R328-L333 HydrophobicContact CB-CG 4.45Å
329	N	73.5	Confident	77.1	Confident	146 Å²	146	55.5 Å²	55.5	78%	0.781	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	45.1	-175.2	-56.2	-27.2	0	0	0	112.8	K331	N329-K331 PolarHBondContact O-N 2.82Å; N329-K331 VanDerWaalsContact O-N 3.11Å
330	D	76.4	Confident	76	Confident	68 Å²	68	55.6 Å²	55.6	36%	0.364	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	27.2	179.9	-59.8	-44.3	0	0	0	114.7	K316 R328 W488	K316-D330 IonicContact NZ-OD1 3.88Å; K316-D330 PolarHBondContact NZ-OD1 2.68Å; R328-D330 VanDerWaalsContact C-N 3.27Å; R328-D330 PolarHBondContact O-N 3.14Å; D330-W488 CarbonylContact C-O 3.51Å; D330-W488 WeakPolarHBondContact CA-O 3.48Å
331	K	76.1	Confident	74.4	Confident	159 Å²	159	56 Å²	56	69%	0.691	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.4	171.5	-67.1	-175.1	-179.7	-176.6	0	110.5	L327 R328 N329 L333	L327-K331 VanDerWaalsContact CA-O 3.24Å; L327-K331 WeakPolarHBondContact CA-O 3.45Å; R328-K331 PolarHBondContact N-O 3.2Å; R328-K331 PolarHBondContact O-N 2.93Å; R328-K331 VanDerWaalsContact O-N 3.14Å; N329-K331 PolarHBondContact O-N 2.82Å; N329-K331 VanDerWaalsContact O-N 3.11Å; K331-L333 PolarHBondContact O-N 2.98Å
332	V	79.9	Confident	73.2	Confident	48 Å²	48	54.4 Å²	54.4	29%	0.291	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	128	172.7	-178.5	0	0	0	0	109.3	I301 W325 L327	I301-V332 HydrophobicContact CD1-CG2 3.36Å; I301-V332 HydrophobicContact CG2-CG2 4.08Å; W325-V332 HydrophobicContact CB-CG1 4.44Å; W325-V332 HydrophobicContact CG-CG1 4.46Å; L327-V332 HydrophobicContact CD1-CG2 4.43Å; L327-V332 HydrophobicContact CD2-CG2 4.34Å; L327-V332 HydrophobicContact CG-CG2 4.1Å
333	L	67	Low	72.1	Confident	42 Å²	42	54.8 Å²	54.8	22%	0.22	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-68.1	147	175.5	-67.6	-177.1	0	0	0	110.6	R326 R328 K331 Y336	R326-L333 HydrophobicContact CB-CD1 3.86Å; R326-L333 HydrophobicContact CB-CG 4.35Å; R326-L333 PolarHBondContact O-N 2.91Å; R328-L333 HydrophobicContact CB-CD2 3.9Å; R328-L333 HydrophobicContact CB-CG 4.45Å; K331-L333 PolarHBondContact O-N 2.98Å; L333-Y336 HydrophobicContact CB-CD2 3.89Å; L333-Y336 HydrophobicContact CB-CE2 4.11Å; L333-Y336 WeakPolarHBondContact O-CD2 3.39Å
334	P	56.7	Low	71.6	Confident	124 Å²	124	53.1 Å²	53.1	81%	0.805	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	141.9	176	-24.6	34	0	0	0	112.4
335	G	54.7	Low	70.8	Confident	49 Å²	49	57.9 Å²	57.9	51%	0.505	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	16.5	178.1	0	0	0	0	0	115.1	R338	G335-R338 WeakPolarHBondContact O-CG 3.24Å; G335-R338 PolarHBondContact O-NE 3.48Å
336	Y	66.8	Low	69.8	Low	37 Å²	37	58.2 Å²	58.2	15%	0.145	31%	0.305	C	S	.	.			trans	-111.3	151.1	167.9	-72.4	-85.1	0	0	0	110.5	F324 R326 L333 R338	F324-Y336 HydrophobicContact CD2-CE1 4.09Å; F324-Y336 HydrophobicContact CE1-CE1 4.29Å; F324-Y336 HydrophobicContact CE2-CD1 4.34Å; F324-Y336 AromaticContact CE2-CE1 3.49Å; F324-Y336 HydrophobicContact CE2-CE1 3.49Å; F324-Y336 VanDerWaalsContact CE2-CE1 3.49Å; F324-Y336 AromaticContact CZ-CE1 3.61Å; F324-Y336 HydrophobicContact CZ-CE1 3.61Å; F324-Y336 WeakPolarHBondContact O-CD1 3.42Å; R326-Y336 HydrophobicContact CB-CD2 4.3Å; R326-Y336 HydrophobicContact CB-CE1 4.29Å; R326-Y336 HydrophobicContact CB-CE2 3.93Å; R326-Y336 VanDerWaalsContact CD-CZ 3.46Å; R326-Y336 WeakPolarHBondContact CD-OH 3.28Å; R326-Y336 HydrophobicContact CG-CE1 4.03Å; R326-Y336 HydrophobicContact CG-CE2 4.3Å; L333-Y336 HydrophobicContact CB-CD2 3.89Å; L333-Y336 HydrophobicContact CB-CE2 4.11Å; L333-Y336 WeakPolarHBondContact O-CD2 3.39Å; Y336-R338 HydrophobicContact CD1-CB 4.04Å; Y336-R338 HydrophobicContact CD1-CG 3.88Å; Y336-R338 HydrophobicContact CE1-CB 4.02Å; Y336-R338 HydrophobicContact CE1-CG 3.94Å; Y336-R338 HydrophobicContact CG-CG 4.48Å
337	P	76.3	Confident	69.6	Low	25 Å²	25	55.5 Å²	55.5	16%	0.162	30%	0.296	C	S	.	.			cis	-69.4	156	8.5	24.4	-30.6	0	0	0	114.8	W323 F324 W325	W323-P337 HydrophobicContact CB-CB 4.18Å; W323-P337 HydrophobicContact CD2-CB 4.37Å; W323-P337 HydrophobicContact CE3-CB 3.93Å; W323-P337 HydrophobicContact CE3-CG 4.39Å; F324-P337 WeakPolarHBondContact O-CA 3.25Å; W325-P337 HydrophobicContact CD2-CB 4.19Å; W325-P337 HydrophobicContact CG-CB 4.46Å; W325-P337 HydrophobicContact CZ2-CB 3.79Å; W325-P337 HydrophobicContact CZ2-CG 4.16Å
338	R	67.9	Low	69.5	Low	45 Å²	45	57.1 Å²	57.1	17%	0.17	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	153.2	169.5	-66.2	-162.9	175.9	-154.1	-0.2	111.4	W323 F324 G335 Y336 A340 F343	W323-R338 CarbonylContact C-O 3.52Å; W323-R338 WeakPolarHBondContact CA-O 3.29Å; F324-R338 HydrophobicContact CD1-CB 4.46Å; F324-R338 WeakPolarHBondContact CD1-O 3.42Å; F324-R338 HydrophobicContact CE1-CB 3.93Å; F324-R338 HydrophobicContact CZ-CB 4.47Å; F324-R338 PolarHBondContact N-O 2.84Å; F324-R338 PolarHBondContact O-N 3.06Å; G335-R338 WeakPolarHBondContact O-CG 3.24Å; G335-R338 PolarHBondContact O-NE 3.48Å; Y336-R338 HydrophobicContact CD1-CB 4.04Å; Y336-R338 HydrophobicContact CD1-CG 3.88Å; Y336-R338 HydrophobicContact CE1-CB 4.02Å; Y336-R338 HydrophobicContact CE1-CG 3.94Å; Y336-R338 HydrophobicContact CG-CG 4.48Å; R338-A340 PolarHBondContact O-N 3.34Å; R338-F343 HydrophobicContact CB-CE2 3.86Å; R338-F343 HydrophobicContact CG-CE2 4.25Å
339	P	71.3	Confident	69.9	Low	10 Å²	10	53.3 Å²	53.3	7%	0.065	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	132	174	-6.8	17.7	0	0	0	111.3	P243 K322 W323 G341 Q342	P243-P339 HydrophobicContact CB-CG 4.16Å; P243-P339 HydrophobicContact CG-CB 4.44Å; P243-P339 HydrophobicContact CG-CG 3.26Å; K322-P339 CarbonylContact O-C 3.48Å; K322-P339 VanDerWaalsContact O-CA 3.24Å; K322-P339 WeakPolarHBondContact O-CA 3.25Å; W323-P339 HydrophobicContact CE3-CG 4.34Å; W323-P339 HydrophobicContact CZ3-CG 4.01Å; P339-G341 VanDerWaalsContact C-N 3.32Å; P339-G341 PolarHBondContact O-N 3.11Å; P339-Q342 HydrophobicContact CB-CB 4.43Å; P339-Q342 WeakPolarHBondContact O-CB 3.24Å; P339-Q342 PolarHBondContact O-N 3.16Å
340	A	69.3	Low	70.5	Confident	7 Å²	7	48.9 Å²	48.9	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-38.3	-179.9	0	0	0	0	0	111.9	F319 K322 F324 R338 Q342 F343 W344 L347	F319-A340 HydrophobicContact CD1-CB 4.21Å; F319-A340 HydrophobicContact CE1-CB 4.09Å; K322-A340 PolarHBondContact O-N 3.43Å; F324-A340 HydrophobicContact CD1-CB 3.97Å; R338-A340 PolarHBondContact O-N 3.34Å; A340-Q342 PolarHBondContact O-N 2.88Å; A340-Q342 VanDerWaalsContact O-N 3.17Å; A340-F343 PolarHBondContact O-N 3.46Å; A340-W344 HydrophobicContact CB-CE3 4.26Å; A340-W344 PolarHBondContact O-N 3.4Å; A340-L347 HydrophobicContact CB-CD2 4.29Å
341	G	60.1	Low	71.4	Confident	29 Å²	29	45.9 Å²	45.9	30%	0.299	26%	0.261	S	S	.	.	H	α-helix	trans	-62.4	-19.9	177.2	0	0	0	0	0	114.4	P339	P339-G341 VanDerWaalsContact C-N 3.32Å; P339-G341 PolarHBondContact O-N 3.11Å
342	Q	60.8	Low	72.3	Confident	46 Å²	46	39.9 Å²	39.9	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-71.6	-34	173.4	-172.8	-178.3	6.5	0	0	112	P339 A340	P339-Q342 HydrophobicContact CB-CB 4.43Å; P339-Q342 WeakPolarHBondContact O-CB 3.24Å; P339-Q342 PolarHBondContact O-N 3.16Å; A340-Q342 PolarHBondContact O-N 2.88Å; A340-Q342 VanDerWaalsContact O-N 3.17Å
343	F	56.3	Low	73.2	Confident	59 Å²	59	37.6 Å²	37.6	26%	0.259	22%	0.223	S	C	.	.	H	α-helix	trans	-93.3	-35.7	-179.4	-76.6	-101.4	0	0	0	112.3	F324 R338 A340 S376	F324-F343 HydrophobicContact CE1-CB 4.31Å; F324-F343 AromaticContact CE1-CD2 3.4Å; F324-F343 HydrophobicContact CE1-CD2 3.4Å; F324-F343 VanDerWaalsContact CE1-CD2 3.4Å; F324-F343 AromaticContact CE1-CE2 3.88Å; F324-F343 HydrophobicContact CE1-CE2 3.88Å; F324-F343 AromaticContact CE1-CG 3.96Å; F324-F343 HydrophobicContact CE1-CG 3.96Å; F324-F343 HydrophobicContact CZ-CB 4.16Å; F324-F343 HydrophobicContact CZ-CD1 4.13Å; F324-F343 AromaticContact CZ-CD2 3.4Å; F324-F343 HydrophobicContact CZ-CD2 3.4Å; F324-F343 HydrophobicContact CZ-CE1 4.39Å; F324-F343 AromaticContact CZ-CE2 3.71Å; F324-F343 HydrophobicContact CZ-CE2 3.71Å; F324-F343 AromaticContact CZ-CG 3.61Å; F324-F343 HydrophobicContact CZ-CG 3.61Å; F324-F343 HydrophobicContact CZ-CZ 4.2Å; R338-F343 HydrophobicContact CB-CE2 3.86Å; R338-F343 HydrophobicContact CG-CE2 4.25Å; A340-F343 PolarHBondContact O-N 3.46Å; F343-S376 WeakPolarHBondContact O-CB 3.12Å
344	W	73.8	Confident	74.6	Confident	7 Å²	7	35.7 Å²	35.7	3%	0.027	21%	0.213	C	C	.	.	S	Bend	trans	-119.8	84.9	178.7	-63.5	-68.8	0	0	0	108.6	L312 F317 F319 F324 A340 G346 L347 F362 F364 Y373 E375	L312-W344 HydrophobicContact CD1-CH2 4.4Å; L312-W344 HydrophobicContact CD1-CZ2 4.14Å; F317-W344 AromaticContact CD1-CH2 3.63Å; F317-W344 HydrophobicContact CD1-CH2 3.63Å; F317-W344 HydrophobicContact CD1-CZ2 4.43Å; F317-W344 AromaticContact CE1-CH2 3.64Å; F317-W344 HydrophobicContact CE1-CH2 3.64Å; F317-W344 HydrophobicContact CE1-CZ2 4.14Å; F319-W344 HydrophobicContact CE1-CE3 4.19Å; F319-W344 HydrophobicContact CE1-CH2 4.21Å; F319-W344 AromaticContact CE1-CZ3 3.55Å; F319-W344 HydrophobicContact CE1-CZ3 3.55Å; F319-W344 HydrophobicContact CZ-CE3 4.49Å; F319-W344 AromaticContact CZ-CH2 3.81Å; F319-W344 HydrophobicContact CZ-CH2 3.81Å; F319-W344 AromaticContact CZ-CZ3 3.63Å; F319-W344 HydrophobicContact CZ-CZ3 3.63Å; F324-W344 HydrophobicContact CD1-CZ3 4.26Å; F324-W344 HydrophobicContact CD2-CH2 4.37Å; F324-W344 HydrophobicContact CD2-CZ3 4.15Å; F324-W344 HydrophobicContact CE1-CZ3 4.16Å; F324-W344 HydrophobicContact CE2-CH2 4.08Å; F324-W344 HydrophobicContact CE2-CZ3 4.01Å; F324-W344 HydrophobicContact CG-CZ3 4.25Å; F324-W344 HydrophobicContact CZ-CH2 4.38Å; F324-W344 HydrophobicContact CZ-CZ3 4.02Å; A340-W344 HydrophobicContact CB-CE3 4.26Å; A340-W344 PolarHBondContact O-N 3.4Å; W344-G346 PolarHBondContact O-N 3.02Å; W344-L347 HydrophobicContact CB-CB 3.77Å; W344-L347 HydrophobicContact CB-CD2 3.93Å; W344-L347 HydrophobicContact CB-CG 4.44Å; W344-L347 HydrophobicContact CD2-CD2 4.41Å; W344-L347 HydrophobicContact CE3-CD2 4.12Å; W344-L347 HydrophobicContact CG-CD2 4.38Å; W344-L347 WeakPolarHBondContact O-CB 3.49Å; W344-L347 PolarHBondContact O-N 2.69Å; W344-F362 HydrophobicContact CZ2-CD2 4.27Å; W344-F362 AromaticContact NE1-CD2 3.78Å; W344-F364 HydrophobicContact CD2-CE2 4.27Å; W344-F364 AromaticContact CD2-CZ 3.85Å; W344-F364 HydrophobicContact CD2-CZ 3.85Å; W344-F364 AromaticContact CE2-CZ 3.65Å; W344-F364 HydrophobicContact CE3-CZ 4.3Å; W344-F364 HydrophobicContact CG-CE2 4.22Å; W344-F364 HydrophobicContact CG-CZ 4.28Å; W344-F364 HydrophobicContact CH2-CZ 4.32Å; W344-F364 AromaticContact CZ2-CZ 3.89Å; W344-F364 HydrophobicContact CZ2-CZ 3.89Å; W344-F364 AromaticContact NE1-CZ 3.98Å; W344-Y373 HydrophobicContact CB-CD1 4.22Å; W344-Y373 HydrophobicContact CB-CE1 3.74Å; W344-Y373 HydrophobicContact CB-CE2 4.14Å; W344-Y373 AromaticContact CD1-CD1 3.56Å; W344-Y373 AromaticContact CD1-CG 3.63Å; W344-Y373 HydrophobicContact CG-CD1 4.28Å; W344-Y373 HydrophobicContact CG-CE1 4.3Å; W344-Y373 HydrophobicContact CG-CG 4.44Å; W344-E375 PolarHBondContact NE1-O 2.8Å
345	K	67.8	Low	76.4	Confident	100 Å²	100	30.2 Å²	30.2	44%	0.435	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	131.5	179.4	-172.3	-178.5	177	-172.2	0	109.7	L347 Y373	K345-L347 VanDerWaalsContact C-N 3.32Å; K345-Y373 PolarHBondContact O-OH 2.93Å
346	G	70.4	Confident	78.1	Confident	12 Å²	12	29.9 Å²	29.9	12%	0.124	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	0.9	-178.3	0	0	0	0	0	115.4	W344 W371	W344-G346 PolarHBondContact O-N 3.02Å; G346-W371 PolarHBondContact O-NE1 3.08Å
347	L	77.9	Confident	79.2	Confident	12 Å²	12	30.3 Å²	30.3	6%	0.063	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-78.1	123.2	173.3	-172.2	71.8	0	0	0	109.9	A340 W344 K345 I351 F364 W371 Y373	A340-L347 HydrophobicContact CB-CD2 4.29Å; W344-L347 HydrophobicContact CB-CB 3.77Å; W344-L347 HydrophobicContact CB-CD2 3.93Å; W344-L347 HydrophobicContact CB-CG 4.44Å; W344-L347 HydrophobicContact CD2-CD2 4.41Å; W344-L347 HydrophobicContact CE3-CD2 4.12Å; W344-L347 HydrophobicContact CG-CD2 4.38Å; W344-L347 WeakPolarHBondContact O-CB 3.49Å; W344-L347 PolarHBondContact O-N 2.69Å; K345-L347 VanDerWaalsContact C-N 3.32Å; L347-I351 HydrophobicContact CD1-CG2 4.03Å; L347-I351 HydrophobicContact CD2-CG2 4.25Å; L347-I351 HydrophobicContact CG-CG2 4.05Å; L347-F364 HydrophobicContact CD1-CB 3.44Å; L347-F364 VanDerWaalsContact CD1-CB 3.44Å; L347-F364 HydrophobicContact CD1-CD1 4.2Å; L347-F364 HydrophobicContact CD1-CD2 4.02Å; L347-F364 HydrophobicContact CD1-CG 3.63Å; L347-F364 HydrophobicContact CD2-CD1 4Å; L347-F364 HydrophobicContact CD2-CE1 4.19Å; L347-F364 HydrophobicContact CD2-CG 4.18Å; L347-W371 HydrophobicContact CD1-CB 4.4Å; L347-W371 HydrophobicContact CD1-CD2 4.37Å; L347-W371 HydrophobicContact CD1-CG 4.26Å; L347-Y373 HydrophobicContact CB-CE2 4.48Å; L347-Y373 HydrophobicContact CD1-CE2 4.18Å; L347-Y373 PolarHBondContact N-OH 2.85Å
348	P	81.4	Confident	79.6	Confident	37 Å²	37	33.3 Å²	33.3	24%	0.24	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-70	159	178.2	29.9	-36.4	0	0	0	111.8	I351 K366 W371	P348-I351 WeakPolarHBondContact O-CG2 3.28Å; P348-K366 HydrophobicContact CB-CG 4.26Å; P348-K366 HydrophobicContact CG-CB 3.72Å; P348-K366 HydrophobicContact CG-CG 3.68Å; P348-W371 VanDerWaalsContact CD-CZ2 3.43Å; P348-W371 HydrophobicContact CG-CH2 3.6Å; P348-W371 HydrophobicContact CG-CZ2 3.67Å; P348-W371 HydrophobicContact CG-CZ3 4.1Å
349	S	84.2	Confident	80.5	Confident	58 Å²	58	34.7 Å²	34.7	41%	0.406	19%	0.189	S	C	.	.	S	Bend	trans	-69.5	163.9	170.8	63.2	0	0	0	0	112.1	I351 K366	S349-I351 PolarHBondContact O-N 3.1Å; S349-K366 WeakPolarHBondContact O-CE 3.47Å; S349-K366 PolarHBondContact O-NZ 2.96Å
350	N	86.2	Confident	80.8	Confident	52 Å²	52	34.7 Å²	34.7	28%	0.278	19%	0.191	S	C	.	.	S	Bend	trans	58.5	45.9	174.7	-67.5	-72.3	0	0	0	113.1	D307 D321 K366	D307-N350 WeakPolarHBondContact OD2-CA 3.4Å; D307-N350 PolarHBondContact OD2-OD1 2.74Å; D321-N350 WeakPolarHBondContact CA-OD1 3.46Å; D321-N350 PolarHBondContact O-N 2.91Å; D321-N350 PolarHBondContact OD1-OD1 2.97Å; N350-K366 WeakPolarHBondContact O-CD 3.4Å; N350-K366 WeakPolarHBondContact O-CE 3.39Å; N350-K366 PolarHBondContact O-NZ 3.27Å
351	I	94.1	Very high	81.6	Confident	5 Å²	5	37 Å²	37	3%	0.026	20%	0.2	C	C	.	.			trans	-59.9	146	-179.4	57.8	164.2	0	0	0	111.6	D307 T308 F319 L347 P348 S349 A354 F364	D307-I351 WeakPolarHBondContact CB-O 3.35Å; T308-I351 HydrophobicContact CG2-CD1 3.61Å; T308-I351 HydrophobicContact CG2-CG1 3.74Å; F319-I351 HydrophobicContact CB-CD1 4.14Å; F319-I351 HydrophobicContact CB-CG1 4.14Å; F319-I351 HydrophobicContact CD1-CD1 3.69Å; F319-I351 HydrophobicContact CD1-CG1 4.27Å; F319-I351 HydrophobicContact CD2-CD1 3.94Å; F319-I351 HydrophobicContact CE1-CD1 4.01Å; F319-I351 HydrophobicContact CE2-CD1 4.24Å; F319-I351 HydrophobicContact CG-CD1 3.65Å; F319-I351 HydrophobicContact CG-CG1 4.18Å; F319-I351 HydrophobicContact CZ-CD1 4.29Å; L347-I351 HydrophobicContact CD1-CG2 4.03Å; L347-I351 HydrophobicContact CD2-CG2 4.25Å; L347-I351 HydrophobicContact CG-CG2 4.05Å; P348-I351 WeakPolarHBondContact O-CG2 3.28Å; S349-I351 PolarHBondContact O-N 3.1Å; I351-A354 HydrophobicContact CD1-CB 4.16Å; I351-F364 HydrophobicContact CD1-CD1 3.65Å; I351-F364 HydrophobicContact CD1-CE1 4.21Å
352	N	96	Very high	83.1	Confident	33 Å²	33	36.2 Å²	36.2	18%	0.176	19%	0.188	C	C	.	.	S	Bend	trans	-84.4	-43.2	-177.9	-61	124.9	0	0	0	113	F365 K366 G367 I398 D399	N352-F365 PolarHBondContact N-O 3Å; N352-K366 WeakPolarHBondContact OD1-CA 3.41Å; N352-G367 PolarHBondContact OD1-N 2.82Å; N352-I398 VanDerWaalsContact CB-O 3.22Å; N352-I398 WeakPolarHBondContact CB-O 3.34Å; N352-D399 VanDerWaalsContact O-O 3.13Å
353	A	97.6	Very high	84.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	150.4	-177.5	0	0	0	0	0	110.7	F364 F365 I398 A401	A353-F364 CarbonylContact O-C 3.55Å; A353-F364 WeakPolarHBondContact O-CA 3.09Å; A353-F365 HydrophobicContact CB-CB 4.23Å; A353-F365 HydrophobicContact CB-CD2 3.99Å; A353-F365 HydrophobicContact CB-CG 4.49Å; A353-F365 PolarHBondContact O-N 2.87Å; A353-I398 HydrophobicContact CB-CG2 4.14Å; A353-A401 HydrophobicContact CB-CB 4.44Å
354	A	96.8	Very high	86.8	Confident	3 Å²	3	31.2 Å²	31.2	3%	0.025	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	144.3	172.3	0	0	0	0	0	110.8	T308 A310 I351 V363 F364	T308-A354 HydrophobicContact CG2-CB 4.44Å; A310-A354 HydrophobicContact CB-CB 3.76Å; A310-A354 WeakPolarHBondContact CB-O 3.16Å; I351-A354 HydrophobicContact CD1-CB 4.16Å; A354-V363 VanDerWaalsContact CA-O 3.24Å; A354-V363 WeakPolarHBondContact CA-O 3.24Å; A354-F364 HydrophobicContact CB-CD1 3.57Å; A354-F364 HydrophobicContact CB-CE1 3.82Å; A354-F364 HydrophobicContact CB-CG 4.47Å
355	Y	95.5	Very high	87.9	Confident	9 Å²	9	30.9 Å²	30.9	4%	0.035	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	158.9	173.5	78.5	-72	0	0	0	111.6	R357 V363 F365 A401 F403 T410 F412 E423	Y355-R357 HydrophobicContact CD2-CG 4.44Å; Y355-R357 HydrophobicContact CE2-CB 4.37Å; Y355-R357 HydrophobicContact CE2-CG 3.47Å; Y355-R357 VanDerWaalsContact CE2-CG 3.47Å; Y355-R357 VanDerWaalsContact OH-CG 3.29Å; Y355-R357 WeakPolarHBondContact OH-CG 3.27Å; Y355-V363 HydrophobicContact CD1-CB 3.86Å; Y355-V363 HydrophobicContact CD1-CG1 4.44Å; Y355-V363 HydrophobicContact CE1-CB 3.45Å; Y355-V363 VanDerWaalsContact CE1-CB 3.45Å; Y355-V363 HydrophobicContact CE1-CG1 3.77Å; Y355-V363 HydrophobicContact CE1-CG2 3.87Å; Y355-V363 PolarHBondContact N-O 2.9Å; Y355-V363 PolarHBondContact O-N 3.42Å; Y355-F365 AromaticContact CD1-CE2 3.96Å; Y355-F365 HydrophobicContact CD1-CE2 3.96Å; Y355-F365 AromaticContact CE1-CE2 3.66Å; Y355-F365 HydrophobicContact CE1-CE2 3.66Å; Y355-F365 HydrophobicContact CE1-CZ 4.14Å; Y355-A401 HydrophobicContact CD1-CB 3.43Å; Y355-A401 VanDerWaalsContact CD1-CB 3.43Å; Y355-A401 HydrophobicContact CE1-CB 4.04Å; Y355-A401 HydrophobicContact CG-CB 3.89Å; Y355-F403 HydrophobicContact CD2-CB 3.94Å; Y355-F403 HydrophobicContact CE2-CB 4.32Å; Y355-T410 HydrophobicContact CD2-CG2 4.32Å; Y355-T410 HydrophobicContact CE1-CG2 4.48Å; Y355-T410 HydrophobicContact CE2-CG2 3.68Å; Y355-F412 AromaticContact CE1-CE1 3.96Å; Y355-F412 HydrophobicContact CE1-CE1 3.96Å; Y355-F412 HydrophobicContact CE1-CZ 4.28Å; Y355-E423 PolarHBondContact OH-OE1 2.89Å
356	E	89.4	Confident	89.3	Confident	41 Å²	41	29.3 Å²	29.3	19%	0.192	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.2	169.5	-175.6	172.4	-176.1	0	0	110	L312 R313 G360 F362 F403	L312-E356 HydrophobicContact CD2-CB 4.07Å; R313-E356 IonicContact CZ-OE1 3.88Å; R313-E356 PolarHBondContact N-OE2 2.85Å; R313-E356 IonicContact NE-OE1 2.65Å; R313-E356 IonicContact NH1-OE1 3.52Å; R313-E356 PolarHBondContact NH1-OE1 3.28Å; E356-G360 WeakPolarHBondContact OE1-CA 3.42Å; E356-F362 HydrophobicContact CB-CD1 4.37Å; E356-F362 HydrophobicContact CG-CD1 4.18Å; E356-F362 HydrophobicContact CG-CE1 4.3Å; E356-F403 WeakPolarHBondContact O-CB 3.46Å
357	R	89.8	Confident	90.4	Very high	46 Å²	46	30 Å²	30	17%	0.174	17%	0.165	C	C	.	.			trans	-78.5	167.9	175.4	-84.4	170.6	45.6	155.9	-1.5	112.1	Y355 D359 G360 K361 V363	Y355-R357 HydrophobicContact CD2-CG 4.44Å; Y355-R357 HydrophobicContact CE2-CB 4.37Å; Y355-R357 HydrophobicContact CE2-CG 3.47Å; Y355-R357 VanDerWaalsContact CE2-CG 3.47Å; Y355-R357 VanDerWaalsContact OH-CG 3.29Å; Y355-R357 WeakPolarHBondContact OH-CG 3.27Å; R357-D359 WeakPolarHBondContact CB-OD1 3.44Å; R357-D359 IonicContact CZ-OD1 3.56Å; R357-D359 IonicContact CZ-OD2 3.52Å; R357-D359 IonicContact NE-OD1 2.6Å; R357-D359 PolarHBondContact NE-OD1 2.84Å; R357-D359 IonicContact NE-OD2 3.68Å; R357-D359 IonicContact NH2-OD1 2.63Å; R357-D359 IonicContact NH2-OD2 3.19Å; R357-D359 PolarHBondContact NH2-OD2 3.11Å; R357-D359 PolarHBondContact O-N 3.09Å; R357-D359 VanDerWaalsContact O-N 3.17Å; R357-G360 PolarHBondContact O-N 2.9Å; R357-K361 PolarHBondContact N-O 2.04Å; R357-V363 HydrophobicContact CG-CG2 3.59Å
358	N	85.8	Confident	91.2	Very high	88 Å²	88	34.3 Å²	34.3	47%	0.471	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.3	176.6	70	-17.7	0	0	0	114.8	G360 F403	N358-G360 VanDerWaalsContact C-N 3.26Å; N358-F403 HydrophobicContact CB-CE1 4.03Å; N358-F403 HydrophobicContact CB-CE2 3.76Å; N358-F403 HydrophobicContact CB-CZ 3.43Å; N358-F403 VanDerWaalsContact CB-CZ 3.43Å
359	D	85.3	Confident	91.9	Very high	74 Å²	74	36.7 Å²	36.7	40%	0.396	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	6.2	176.1	59.9	-2.8	0	0	0	112.8	R357 K361	R357-D359 WeakPolarHBondContact CB-OD1 3.44Å; R357-D359 IonicContact CZ-OD1 3.56Å; R357-D359 IonicContact CZ-OD2 3.52Å; R357-D359 IonicContact NE-OD1 2.6Å; R357-D359 PolarHBondContact NE-OD1 2.84Å; R357-D359 IonicContact NE-OD2 3.68Å; R357-D359 IonicContact NH2-OD1 2.63Å; R357-D359 IonicContact NH2-OD2 3.19Å; R357-D359 PolarHBondContact NH2-OD2 3.11Å; R357-D359 PolarHBondContact O-N 3.09Å; R357-D359 VanDerWaalsContact O-N 3.17Å; D359-K361 VanDerWaalsContact C-N 3.26Å; D359-K361 PolarHBondContact O-N 3.2Å; D359-K361 WeakPolarHBondContact OD1-CB 2.99Å; D359-K361 PolarHBondContact OD1-N 2.87Å
360	G	78.6	Confident	92.5	Very high	11 Å²	11	33.9 Å²	33.9	11%	0.113	17%	0.169	C	C	.	.	S	Bend	trans	77.7	7	179.3	0	0	0	0	0	114.4	R313 E356 R357 N358	R313-G360 PolarHBondContact NH1-O 3.4Å; E356-G360 WeakPolarHBondContact OE1-CA 3.42Å; R357-G360 PolarHBondContact O-N 2.9Å; N358-G360 VanDerWaalsContact C-N 3.26Å
361	K	86.6	Confident	93	Very high	55 Å²	55	32.2 Å²	32.2	24%	0.239	16%	0.159	C	C	.	.			trans	-81.1	143.1	176.1	-64.4	-174.7	-179.2	-176.9	0	110.9	R357 D359 V372 Y373 E379	R357-K361 PolarHBondContact N-O 2.04Å; D359-K361 VanDerWaalsContact C-N 3.26Å; D359-K361 PolarHBondContact O-N 3.2Å; D359-K361 WeakPolarHBondContact OD1-CB 2.99Å; D359-K361 PolarHBondContact OD1-N 2.87Å; K361-V372 HydrophobicContact CB-CG1 3.81Å; K361-V372 HydrophobicContact CD-CG1 3.8Å; K361-V372 HydrophobicContact CG-CG1 4.37Å; K361-Y373 CarbonylContact C-O 3.57Å; K361-Y373 WeakPolarHBondContact CA-O 3.38Å; K361-Y373 WeakPolarHBondContact CB-O 3.31Å; K361-E379 HydrophobicContact CD-CG 4.33Å; K361-E379 IonicContact NZ-OE1 3.48Å; K361-E379 IonicContact NZ-OE2 2.84Å; K361-E379 PolarHBondContact NZ-OE2 3.04Å
362	F	91.6	Very high	93.1	Very high	12 Å²	12	32 Å²	32	5%	0.053	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	129	176.2	-50.8	-22.6	0	0	0	109.2	L312 R313 W344 E356 F364 V372 Y373 E375	L312-F362 HydrophobicContact CB-CD1 4.28Å; L312-F362 HydrophobicContact CB-CE1 4.07Å; L312-F362 HydrophobicContact CB-CZ 4.23Å; L312-F362 HydrophobicContact CD1-CD2 4.19Å; L312-F362 HydrophobicContact CD1-CG 4.23Å; L312-F362 HydrophobicContact CD2-CB 4.34Å; L312-F362 HydrophobicContact CD2-CD1 3.9Å; L312-F362 HydrophobicContact CD2-CG 4.11Å; L312-F362 HydrophobicContact CG-CD1 4.48Å; R313-F362 HydrophobicContact CG-CE1 3.91Å; R313-F362 HydrophobicContact CG-CZ 3.64Å; W344-F362 HydrophobicContact CZ2-CD2 4.27Å; W344-F362 AromaticContact NE1-CD2 3.78Å; E356-F362 HydrophobicContact CB-CD1 4.37Å; E356-F362 HydrophobicContact CG-CD1 4.18Å; E356-F362 HydrophobicContact CG-CE1 4.3Å; F362-F364 HydrophobicContact CB-CD2 4.47Å; F362-F364 HydrophobicContact CB-CE2 3.66Å; F362-F364 HydrophobicContact CB-CZ 4.06Å; F362-V372 CarbonylContact O-C 3.56Å; F362-V372 WeakPolarHBondContact O-CA 3.47Å; F362-Y373 PolarHBondContact N-O 2.95Å; F362-Y373 PolarHBondContact O-N 3.13Å; F362-E375 VanDerWaalsContact CD2-O 3.24Å; F362-E375 WeakPolarHBondContact CD2-O 3.42Å; F362-E375 WeakPolarHBondContact CE2-O 3.22Å
363	V	96.8	Very high	92.5	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.5	177.9	-172.7	0	0	0	0	109.1	A354 Y355 R357 F365 Y370 W371 V372	A354-V363 VanDerWaalsContact CA-O 3.24Å; A354-V363 WeakPolarHBondContact CA-O 3.24Å; Y355-V363 HydrophobicContact CD1-CB 3.86Å; Y355-V363 HydrophobicContact CD1-CG1 4.44Å; Y355-V363 HydrophobicContact CE1-CB 3.45Å; Y355-V363 VanDerWaalsContact CE1-CB 3.45Å; Y355-V363 HydrophobicContact CE1-CG1 3.77Å; Y355-V363 HydrophobicContact CE1-CG2 3.87Å; Y355-V363 PolarHBondContact N-O 2.9Å; Y355-V363 PolarHBondContact O-N 3.42Å; R357-V363 HydrophobicContact CG-CG2 3.59Å; V363-F365 HydrophobicContact CB-CE2 4.49Å; V363-F365 HydrophobicContact CG1-CD2 4.35Å; V363-F365 HydrophobicContact CG1-CE2 3.67Å; V363-F365 HydrophobicContact CG1-CZ 3.79Å; V363-Y370 HydrophobicContact CG1-CD2 3.98Å; V363-W371 WeakPolarHBondContact CA-O 3.46Å; V363-V372 HydrophobicContact CG1-CG2 4.4Å; V363-V372 HydrophobicContact CG2-CG2 4.22Å
364	F	96.7	Very high	91.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.4	177.1	-58.2	-90	0	0	0	110	L312 F319 W344 L347 I351 A353 A354 F362 Y370 W371 Y373	L312-F364 HydrophobicContact CD1-CE1 4.48Å; L312-F364 HydrophobicContact CD1-CZ 4.18Å; F319-F364 HydrophobicContact CE1-CE1 4.24Å; F319-F364 HydrophobicContact CE2-CE1 4.36Å; F319-F364 AromaticContact CZ-CE1 3.73Å; F319-F364 HydrophobicContact CZ-CE1 3.73Å; W344-F364 HydrophobicContact CD2-CE2 4.27Å; W344-F364 AromaticContact CD2-CZ 3.85Å; W344-F364 HydrophobicContact CD2-CZ 3.85Å; W344-F364 AromaticContact CE2-CZ 3.65Å; W344-F364 HydrophobicContact CE3-CZ 4.3Å; W344-F364 HydrophobicContact CG-CE2 4.22Å; W344-F364 HydrophobicContact CG-CZ 4.28Å; W344-F364 HydrophobicContact CH2-CZ 4.32Å; W344-F364 AromaticContact CZ2-CZ 3.89Å; W344-F364 HydrophobicContact CZ2-CZ 3.89Å; W344-F364 AromaticContact NE1-CZ 3.98Å; L347-F364 HydrophobicContact CD1-CB 3.44Å; L347-F364 VanDerWaalsContact CD1-CB 3.44Å; L347-F364 HydrophobicContact CD1-CD1 4.2Å; L347-F364 HydrophobicContact CD1-CD2 4.02Å; L347-F364 HydrophobicContact CD1-CG 3.63Å; L347-F364 HydrophobicContact CD2-CD1 4Å; L347-F364 HydrophobicContact CD2-CE1 4.19Å; L347-F364 HydrophobicContact CD2-CG 4.18Å; I351-F364 HydrophobicContact CD1-CD1 3.65Å; I351-F364 HydrophobicContact CD1-CE1 4.21Å; A353-F364 CarbonylContact O-C 3.55Å; A353-F364 WeakPolarHBondContact O-CA 3.09Å; A354-F364 HydrophobicContact CB-CD1 3.57Å; A354-F364 HydrophobicContact CB-CE1 3.82Å; A354-F364 HydrophobicContact CB-CG 4.47Å; F362-F364 HydrophobicContact CB-CD2 4.47Å; F362-F364 HydrophobicContact CB-CE2 3.66Å; F362-F364 HydrophobicContact CB-CZ 4.06Å; F364-Y370 CarbonylContact O-C 3.52Å; F364-Y370 WeakPolarHBondContact O-CA 3.36Å; F364-Y370 WeakPolarHBondContact O-CB 3.37Å; F364-W371 HydrophobicContact CB-CB 4.5Å; F364-W371 PolarHBondContact N-O 3.02Å; F364-W371 PolarHBondContact O-N 2.97Å; F364-Y373 AromaticContact CD2-CD2 3.59Å; F364-Y373 HydrophobicContact CD2-CD2 3.59Å; F364-Y373 AromaticContact CD2-CE2 3.95Å; F364-Y373 HydrophobicContact CD2-CE2 3.95Å; F364-Y373 AromaticContact CE2-CD2 3.69Å; F364-Y373 HydrophobicContact CE2-CD2 3.69Å; F364-Y373 HydrophobicContact CE2-CE2 4.27Å; F364-Y373 HydrophobicContact CE2-CG 4.36Å
365	F	97.9	Very high	90.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.4	177.4	-65.2	-90.6	0	0	0	110.7	N352 A353 Y355 V363 Y370 I386 L389 I398 A401 F412	N352-F365 PolarHBondContact N-O 3Å; A353-F365 HydrophobicContact CB-CB 4.23Å; A353-F365 HydrophobicContact CB-CD2 3.99Å; A353-F365 HydrophobicContact CB-CG 4.49Å; A353-F365 PolarHBondContact O-N 2.87Å; Y355-F365 AromaticContact CD1-CE2 3.96Å; Y355-F365 HydrophobicContact CD1-CE2 3.96Å; Y355-F365 AromaticContact CE1-CE2 3.66Å; Y355-F365 HydrophobicContact CE1-CE2 3.66Å; Y355-F365 HydrophobicContact CE1-CZ 4.14Å; V363-F365 HydrophobicContact CB-CE2 4.49Å; V363-F365 HydrophobicContact CG1-CD2 4.35Å; V363-F365 HydrophobicContact CG1-CE2 3.67Å; V363-F365 HydrophobicContact CG1-CZ 3.79Å; F365-Y370 HydrophobicContact CE1-CG 4.25Å; F365-I386 HydrophobicContact CD1-CD1 4.21Å; F365-I386 HydrophobicContact CD1-CG1 4.12Å; F365-I386 HydrophobicContact CE1-CG1 4.33Å; F365-L389 HydrophobicContact CE1-CD2 3.68Å; F365-L389 HydrophobicContact CZ-CD2 3.8Å; F365-I398 HydrophobicContact CB-CB 4.4Å; F365-I398 HydrophobicContact CD1-CB 4.1Å; F365-I398 HydrophobicContact CD1-CG1 3.86Å; F365-I398 HydrophobicContact CE1-CG1 3.97Å; F365-I398 HydrophobicContact CG-CB 4.11Å; F365-I398 HydrophobicContact CG-CG1 4.37Å; F365-A401 HydrophobicContact CE2-CB 4.22Å; F365-F412 HydrophobicContact CE1-CE1 4.43Å; F365-F412 AromaticContact CE2-CE1 3.76Å; F365-F412 HydrophobicContact CE2-CE1 3.76Å; F365-F412 HydrophobicContact CZ-CD1 4.33Å; F365-F412 AromaticContact CZ-CE1 3.47Å; F365-F412 HydrophobicContact CZ-CE1 3.47Å; F365-F412 VanDerWaalsContact CZ-CE1 3.47Å; F365-F412 HydrophobicContact CZ-CZ 4.01Å
366	K	95.9	Very high	88.7	Confident	66 Å²	66	41 Å²	41	29%	0.287	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	117	170.1	176	70.1	174	-177.4	0	109.2	P348 S349 N350 N352 E368 R369 W371	P348-K366 HydrophobicContact CB-CG 4.26Å; P348-K366 HydrophobicContact CG-CB 3.72Å; P348-K366 HydrophobicContact CG-CG 3.68Å; S349-K366 WeakPolarHBondContact O-CE 3.47Å; S349-K366 PolarHBondContact O-NZ 2.96Å; N350-K366 WeakPolarHBondContact O-CD 3.4Å; N350-K366 WeakPolarHBondContact O-CE 3.39Å; N350-K366 PolarHBondContact O-NZ 3.27Å; N352-K366 WeakPolarHBondContact OD1-CA 3.41Å; K366-E368 PolarHBondContact O-N 2.79Å; K366-R369 PolarHBondContact N-O 2.87Å; K366-R369 PolarHBondContact O-N 2.94Å; K366-R369 VanDerWaalsContact O-N 3.11Å; K366-W371 HydrophobicContact CB-CH2 3.98Å; K366-W371 HydrophobicContact CB-CZ3 3.63Å
367	G	94.3	Very high	87.6	Confident	27 Å²	27	43.4 Å²	43.4	28%	0.278	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-130.7	-174.9	0	0	0	0	0	110.8	N352 R369 I386 D396 K397	N352-G367 PolarHBondContact OD1-N 2.82Å; G367-R369 PolarHBondContact O-N 3.32Å; G367-I386 VanDerWaalsContact O-CD1 3.23Å; G367-I386 WeakPolarHBondContact O-CD1 3.24Å; G367-D396 CarbonylContact C-O 3.57Å; G367-D396 VanDerWaalsContact O-O 3.07Å; G367-K397 WeakPolarHBondContact O-CA 3.24Å
368	E	94.9	Very high	87.1	Confident	102 Å²	102	43.3 Å²	43.3	48%	0.477	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1.7	-177.5	-49.3	-159.2	161.2	0	0	114.1	K366 S385 I386 D396	K366-E368 PolarHBondContact O-N 2.79Å; E368-S385 CarbonylContact O-C 3.4Å; E368-S385 WeakPolarHBondContact O-CA 3.48Å; E368-I386 PolarHBondContact O-N 3.16Å; E368-D396 WeakPolarHBondContact CA-O 3.45Å; E368-D396 WeakPolarHBondContact CG-O 3.44Å; E368-D396 PolarHBondContact N-O 2.91Å; E368-D396 VanDerWaalsContact N-O 3.13Å
369	R	96.1	Very high	87.1	Confident	87 Å²	87	41.8 Å²	41.8	33%	0.328	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	155.1	-173	-71.1	-176.5	175.1	146.6	-0.9	112.1	E255 K366 G367 W371 P383 K384	E255-R369 IonicContact OE1-NH1 3.49Å; E255-R369 PolarHBondContact OE1-NH1 3.4Å; K366-R369 PolarHBondContact N-O 2.87Å; K366-R369 PolarHBondContact O-N 2.94Å; K366-R369 VanDerWaalsContact O-N 3.11Å; G367-R369 PolarHBondContact O-N 3.32Å; R369-W371 HydrophobicContact CB-CH2 3.59Å; R369-W371 HydrophobicContact CB-CZ2 4.49Å; R369-W371 HydrophobicContact CB-CZ3 3.64Å; R369-W371 WeakPolarHBondContact O-CZ3 3.08Å; R369-P383 HydrophobicContact CB-CB 4.47Å; R369-K384 CarbonylContact C-O 3.58Å; R369-K384 VanDerWaalsContact CA-O 3.26Å; R369-K384 WeakPolarHBondContact CA-O 3.34Å
370	Y	97.4	Very high	87.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147.5	172.8	78.4	-76.1	0	0	0	111.7	V363 F364 F365 V372 Y382 P383 K384 S385 L389 R426	V363-Y370 HydrophobicContact CG1-CD2 3.98Å; F364-Y370 CarbonylContact O-C 3.52Å; F364-Y370 WeakPolarHBondContact O-CA 3.36Å; F364-Y370 WeakPolarHBondContact O-CB 3.37Å; F365-Y370 HydrophobicContact CE1-CG 4.25Å; Y370-V372 HydrophobicContact CD2-CG2 3.87Å; Y370-V372 HydrophobicContact CE2-CG2 3.7Å; Y370-Y382 HydrophobicContact CD2-CD1 4.44Å; Y370-Y382 HydrophobicContact CD2-CE1 4.04Å; Y370-Y382 HydrophobicContact CE1-CE1 4.46Å; Y370-Y382 HydrophobicContact CE2-CD1 4.13Å; Y370-Y382 AromaticContact CE2-CE1 3.33Å; Y370-Y382 HydrophobicContact CE2-CE1 3.33Å; Y370-Y382 AromaticContact CZ-CE1 3.57Å; Y370-P383 VanDerWaalsContact O-CA 3.3Å; Y370-P383 WeakPolarHBondContact O-CA 3.39Å; Y370-K384 HydrophobicContact CD1-CB 4.17Å; Y370-K384 VanDerWaalsContact CD1-O 3.25Å; Y370-K384 WeakPolarHBondContact CD1-O 3.49Å; Y370-K384 HydrophobicContact CE1-CB 3.52Å; Y370-K384 PolarHBondContact N-O 3.4Å; Y370-K384 PolarHBondContact O-N 2.87Å; Y370-S385 VanDerWaalsContact CE1-O 3.26Å; Y370-S385 WeakPolarHBondContact CE1-O 3.34Å; Y370-L389 HydrophobicContact CD1-CB 4.3Å; Y370-L389 HydrophobicContact CD2-CD1 4.36Å; Y370-L389 HydrophobicContact CE1-CB 3.77Å; Y370-L389 HydrophobicContact CE1-CD1 4.41Å; Y370-L389 HydrophobicContact CE2-CD1 3.71Å; Y370-R426 PolarHBondContact OH-NH2 3.02Å
371	W	97	Very high	87.7	Confident	16 Å²	16	50.1 Å²	50.1	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.3	178.6	-65.3	-115.3	0	0	0	108.4	G346 L347 P348 V363 F364 K366 R369 Y373 L378 P383	G346-W371 PolarHBondContact O-NE1 3.08Å; L347-W371 HydrophobicContact CD1-CB 4.4Å; L347-W371 HydrophobicContact CD1-CD2 4.37Å; L347-W371 HydrophobicContact CD1-CG 4.26Å; P348-W371 VanDerWaalsContact CD-CZ2 3.43Å; P348-W371 HydrophobicContact CG-CH2 3.6Å; P348-W371 HydrophobicContact CG-CZ2 3.67Å; P348-W371 HydrophobicContact CG-CZ3 4.1Å; V363-W371 WeakPolarHBondContact CA-O 3.46Å; F364-W371 HydrophobicContact CB-CB 4.5Å; F364-W371 PolarHBondContact N-O 3.02Å; F364-W371 PolarHBondContact O-N 2.97Å; K366-W371 HydrophobicContact CB-CH2 3.98Å; K366-W371 HydrophobicContact CB-CZ3 3.63Å; R369-W371 HydrophobicContact CB-CH2 3.59Å; R369-W371 HydrophobicContact CB-CZ2 4.49Å; R369-W371 HydrophobicContact CB-CZ3 3.64Å; R369-W371 WeakPolarHBondContact O-CZ3 3.08Å; W371-Y373 HydrophobicContact CB-CD2 4.09Å; W371-Y373 HydrophobicContact CB-CE2 3.52Å; W371-Y373 HydrophobicContact CG-CE2 4.15Å; W371-L378 HydrophobicContact CB-CD1 4.11Å; W371-L378 HydrophobicContact CG-CD1 4.37Å; W371-P383 HydrophobicContact CD2-CB 3.75Å; W371-P383 VanDerWaalsContact CE2-CB 3.44Å; W371-P383 HydrophobicContact CE3-CB 4.36Å; W371-P383 HydrophobicContact CG-CB 4.04Å; W371-P383 HydrophobicContact CH2-CB 4.3Å; W371-P383 HydrophobicContact CZ2-CB 3.75Å; W371-P383 HydrophobicContact CZ2-CG 3.9Å
372	V	96	Very high	87.9	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.5	173.9	-177.1	0	0	0	0	107.7	K361 F362 V363 Y370 E379 Y382	K361-V372 HydrophobicContact CB-CG1 3.81Å; K361-V372 HydrophobicContact CD-CG1 3.8Å; K361-V372 HydrophobicContact CG-CG1 4.37Å; F362-V372 CarbonylContact O-C 3.56Å; F362-V372 WeakPolarHBondContact O-CA 3.47Å; V363-V372 HydrophobicContact CG1-CG2 4.4Å; V363-V372 HydrophobicContact CG2-CG2 4.22Å; Y370-V372 HydrophobicContact CD2-CG2 3.87Å; Y370-V372 HydrophobicContact CE2-CG2 3.7Å; V372-E379 HydrophobicContact CB-CB 4.38Å; V372-E379 HydrophobicContact CB-CG 4.3Å; V372-E379 HydrophobicContact CG1-CG 3.97Å; V372-E379 VanDerWaalsContact O-CB 3.28Å; V372-E379 WeakPolarHBondContact O-CB 3.39Å; V372-E379 WeakPolarHBondContact O-CG 3.21Å; V372-E379 PolarHBondContact O-N 3.36Å; V372-Y382 HydrophobicContact CB-CD1 4.17Å; V372-Y382 HydrophobicContact CB-CD2 4.05Å; V372-Y382 HydrophobicContact CB-CE1 3.98Å; V372-Y382 HydrophobicContact CB-CE2 3.79Å; V372-Y382 HydrophobicContact CB-CG 4.19Å; V372-Y382 HydrophobicContact CG2-CD1 3.87Å; V372-Y382 HydrophobicContact CG2-CD2 4.49Å; V372-Y382 HydrophobicContact CG2-CE1 3.37Å; V372-Y382 HydrophobicContact CG2-CE2 4.01Å; V372-Y382 HydrophobicContact CG2-CG 4.4Å
373	Y	82.4	Confident	88.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.1	178.5	-70.5	-98.9	0	0	0	110.4	W344 K345 L347 K361 F362 F364 W371 S376 T377 L378	W344-Y373 HydrophobicContact CB-CD1 4.22Å; W344-Y373 HydrophobicContact CB-CE1 3.74Å; W344-Y373 HydrophobicContact CB-CE2 4.14Å; W344-Y373 AromaticContact CD1-CD1 3.56Å; W344-Y373 AromaticContact CD1-CG 3.63Å; W344-Y373 HydrophobicContact CG-CD1 4.28Å; W344-Y373 HydrophobicContact CG-CE1 4.3Å; W344-Y373 HydrophobicContact CG-CG 4.44Å; K345-Y373 PolarHBondContact O-OH 2.93Å; L347-Y373 HydrophobicContact CB-CE2 4.48Å; L347-Y373 HydrophobicContact CD1-CE2 4.18Å; L347-Y373 PolarHBondContact N-OH 2.85Å; K361-Y373 CarbonylContact C-O 3.57Å; K361-Y373 WeakPolarHBondContact CA-O 3.38Å; K361-Y373 WeakPolarHBondContact CB-O 3.31Å; F362-Y373 PolarHBondContact N-O 2.95Å; F362-Y373 PolarHBondContact O-N 3.13Å; F364-Y373 AromaticContact CD2-CD2 3.59Å; F364-Y373 HydrophobicContact CD2-CD2 3.59Å; F364-Y373 AromaticContact CD2-CE2 3.95Å; F364-Y373 HydrophobicContact CD2-CE2 3.95Å; F364-Y373 AromaticContact CE2-CD2 3.69Å; F364-Y373 HydrophobicContact CE2-CD2 3.69Å; F364-Y373 HydrophobicContact CE2-CE2 4.27Å; F364-Y373 HydrophobicContact CE2-CG 4.36Å; W371-Y373 HydrophobicContact CB-CD2 4.09Å; W371-Y373 HydrophobicContact CB-CE2 3.52Å; W371-Y373 HydrophobicContact CG-CE2 4.15Å; Y373-S376 WeakPolarHBondContact CD1-O 3.33Å; Y373-T377 CarbonylContact C-O 3.59Å; Y373-T377 WeakPolarHBondContact CA-O 3.29Å; Y373-T377 VanDerWaalsContact CD1-C 3.41Å; Y373-L378 HydrophobicContact CD1-CB 4.03Å; Y373-L378 HydrophobicContact CD1-CD1 4.43Å; Y373-L378 VanDerWaalsContact CD1-N 3.34Å; Y373-L378 HydrophobicContact CD2-CD1 4.27Å; Y373-L378 HydrophobicContact CE1-CB 3.59Å; Y373-L378 HydrophobicContact CE1-CD1 3.99Å; Y373-L378 HydrophobicContact CE1-CG 4.34Å; Y373-L378 HydrophobicContact CE2-CD1 3.84Å
374	S	76.8	Confident	88	Confident	52 Å²	52	53.8 Å²	53.8	36%	0.364	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	97.8	157.8	-173.7	0	0	0	0	107.1	S376 T377 E379	S374-S376 PolarHBondContact O-N 3.16Å; S374-S376 VanDerWaalsContact O-N 3.07Å; S374-T377 PolarHBondContact N-O 2.94Å; S374-T377 PolarHBondContact O-N 3.17Å; S374-E379 WeakPolarHBondContact CB-OE1 3.36Å
375	E	67.8	Low	88	Confident	113 Å²	113	55.2 Å²	55.2	53%	0.528	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	-102.1	-172.9	-52.1	-173.2	162.9	0	0	112.4	R313 W344 F362	R313-E375 IonicContact NH2-OE1 2.66Å; W344-E375 PolarHBondContact NE1-O 2.8Å; F362-E375 VanDerWaalsContact CD2-O 3.24Å; F362-E375 WeakPolarHBondContact CD2-O 3.42Å; F362-E375 WeakPolarHBondContact CE2-O 3.22Å
376	S	65.9	Low	87.9	Confident	69 Å²	69	55.2 Å²	55.2	48%	0.483	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-10.5	175.8	50.2	0	0	0	0	113.5	F343 Y373 S374	F343-S376 WeakPolarHBondContact O-CB 3.12Å; Y373-S376 WeakPolarHBondContact CD1-O 3.33Å; S374-S376 PolarHBondContact O-N 3.16Å; S374-S376 VanDerWaalsContact O-N 3.07Å
377	T	65.1	Low	87.8	Confident	91 Å²	91	57.7 Å²	57.7	56%	0.558	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	124.7	-173.3	-57.7	0	0	0	0	111.5	Y373 S374 E379	Y373-T377 CarbonylContact C-O 3.59Å; Y373-T377 WeakPolarHBondContact CA-O 3.29Å; Y373-T377 VanDerWaalsContact CD1-C 3.41Å; S374-T377 PolarHBondContact N-O 2.94Å; S374-T377 PolarHBondContact O-N 3.17Å; T377-E379 PolarHBondContact O-N 2.75Å
378	L	79.9	Confident	87.7	Confident	44 Å²	44	60.7 Å²	60.7	23%	0.23	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	127.9	176.7	-177.3	60.6	0	0	0	110	W371 Y373	W371-L378 HydrophobicContact CB-CD1 4.11Å; W371-L378 HydrophobicContact CG-CD1 4.37Å; Y373-L378 HydrophobicContact CD1-CB 4.03Å; Y373-L378 HydrophobicContact CD1-CD1 4.43Å; Y373-L378 VanDerWaalsContact CD1-N 3.34Å; Y373-L378 HydrophobicContact CD2-CD1 4.27Å; Y373-L378 HydrophobicContact CE1-CB 3.59Å; Y373-L378 HydrophobicContact CE1-CD1 3.99Å; Y373-L378 HydrophobicContact CE1-CG 4.34Å; Y373-L378 HydrophobicContact CE2-CD1 3.84Å
379	E	86.5	Confident	87.7	Confident	56 Å²	56	55.9 Å²	55.9	26%	0.262	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-67	146.6	178	-72.7	-77.8	114.7	0	0	111.3	K361 V372 S374 T377 G381 Y382	K361-E379 HydrophobicContact CD-CG 4.33Å; K361-E379 IonicContact NZ-OE1 3.48Å; K361-E379 IonicContact NZ-OE2 2.84Å; K361-E379 PolarHBondContact NZ-OE2 3.04Å; V372-E379 HydrophobicContact CB-CB 4.38Å; V372-E379 HydrophobicContact CB-CG 4.3Å; V372-E379 HydrophobicContact CG1-CG 3.97Å; V372-E379 VanDerWaalsContact O-CB 3.28Å; V372-E379 WeakPolarHBondContact O-CB 3.39Å; V372-E379 WeakPolarHBondContact O-CG 3.21Å; V372-E379 PolarHBondContact O-N 3.36Å; S374-E379 WeakPolarHBondContact CB-OE1 3.36Å; T377-E379 PolarHBondContact O-N 2.75Å; E379-G381 PolarHBondContact O-N 2.86Å; E379-Y382 HydrophobicContact CB-CD2 3.43Å; E379-Y382 VanDerWaalsContact CB-CD2 3.43Å; E379-Y382 HydrophobicContact CB-CE2 3.69Å; E379-Y382 HydrophobicContact CB-CG 4.5Å; E379-Y382 WeakPolarHBondContact O-CD2 3.36Å; E379-Y382 PolarHBondContact O-N 3.04Å
380	K	89.5	Confident	87.4	Confident	207 Å²	207	52.5 Å²	52.5	90%	0.9	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	131.1	-178.1	-172.6	174.5	-179.4	174.9	0	111.8
381	G	87.3	Confident	87.2	Confident	53 Å²	53	55.3 Å²	55.3	55%	0.546	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	13.3	177.5	0	0	0	0	0	114.5	E379 K384	E379-G381 PolarHBondContact O-N 2.86Å; G381-K384 WeakPolarHBondContact O-CE 3.48Å; G381-K384 WeakPolarHBondContact O-CG 3.19Å
382	Y	89.6	Confident	87	Confident	36 Å²	36	57.1 Å²	57.1	14%	0.141	33%	0.333	C	S	.	.			trans	-99.7	155.2	166.6	-70.8	-82.1	0	0	0	110.9	Y370 V372 E379 K384	Y370-Y382 HydrophobicContact CD2-CD1 4.44Å; Y370-Y382 HydrophobicContact CD2-CE1 4.04Å; Y370-Y382 HydrophobicContact CE1-CE1 4.46Å; Y370-Y382 HydrophobicContact CE2-CD1 4.13Å; Y370-Y382 AromaticContact CE2-CE1 3.33Å; Y370-Y382 HydrophobicContact CE2-CE1 3.33Å; Y370-Y382 AromaticContact CZ-CE1 3.57Å; V372-Y382 HydrophobicContact CB-CD1 4.17Å; V372-Y382 HydrophobicContact CB-CD2 4.05Å; V372-Y382 HydrophobicContact CB-CE1 3.98Å; V372-Y382 HydrophobicContact CB-CE2 3.79Å; V372-Y382 HydrophobicContact CB-CG 4.19Å; V372-Y382 HydrophobicContact CG2-CD1 3.87Å; V372-Y382 HydrophobicContact CG2-CD2 4.49Å; V372-Y382 HydrophobicContact CG2-CE1 3.37Å; V372-Y382 HydrophobicContact CG2-CE2 4.01Å; V372-Y382 HydrophobicContact CG2-CG 4.4Å; E379-Y382 HydrophobicContact CB-CD2 3.43Å; E379-Y382 VanDerWaalsContact CB-CD2 3.43Å; E379-Y382 HydrophobicContact CB-CE2 3.69Å; E379-Y382 HydrophobicContact CB-CG 4.5Å; E379-Y382 WeakPolarHBondContact O-CD2 3.36Å; E379-Y382 PolarHBondContact O-N 3.04Å; Y382-K384 HydrophobicContact CD1-CB 4.16Å; Y382-K384 HydrophobicContact CD1-CD 4.17Å; Y382-K384 HydrophobicContact CD1-CG 3.83Å; Y382-K384 HydrophobicContact CE1-CB 4.23Å; Y382-K384 HydrophobicContact CE1-CD 3.8Å; Y382-K384 HydrophobicContact CE1-CG 3.94Å; Y382-K384 HydrophobicContact CG-CG 4.48Å
383	P	96	Very high	86.9	Confident	38 Å²	38	57.7 Å²	57.7	25%	0.247	34%	0.336	C	S	.	.	S	Bend	cis	-70.4	155	-0.4	27.9	-33.9	0	0	0	114.3	R369 Y370 W371	R369-P383 HydrophobicContact CB-CB 4.47Å; Y370-P383 VanDerWaalsContact O-CA 3.3Å; Y370-P383 WeakPolarHBondContact O-CA 3.39Å; W371-P383 HydrophobicContact CD2-CB 3.75Å; W371-P383 VanDerWaalsContact CE2-CB 3.44Å; W371-P383 HydrophobicContact CE3-CB 4.36Å; W371-P383 HydrophobicContact CG-CB 4.04Å; W371-P383 HydrophobicContact CH2-CB 4.3Å; W371-P383 HydrophobicContact CZ2-CB 3.75Å; W371-P383 HydrophobicContact CZ2-CG 3.9Å
384	K	95.5	Very high	87.4	Confident	71 Å²	71	58.2 Å²	58.2	31%	0.309	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	162.9	175.1	-66.9	-173.9	-176	-179.6	0	111	R369 Y370 G381 Y382 D388	R369-K384 CarbonylContact C-O 3.58Å; R369-K384 VanDerWaalsContact CA-O 3.26Å; R369-K384 WeakPolarHBondContact CA-O 3.34Å; Y370-K384 HydrophobicContact CD1-CB 4.17Å; Y370-K384 VanDerWaalsContact CD1-O 3.25Å; Y370-K384 WeakPolarHBondContact CD1-O 3.49Å; Y370-K384 HydrophobicContact CE1-CB 3.52Å; Y370-K384 PolarHBondContact N-O 3.4Å; Y370-K384 PolarHBondContact O-N 2.87Å; G381-K384 WeakPolarHBondContact O-CE 3.48Å; G381-K384 WeakPolarHBondContact O-CG 3.19Å; Y382-K384 HydrophobicContact CD1-CB 4.16Å; Y382-K384 HydrophobicContact CD1-CD 4.17Å; Y382-K384 HydrophobicContact CD1-CG 3.83Å; Y382-K384 HydrophobicContact CE1-CB 4.23Å; Y382-K384 HydrophobicContact CE1-CD 3.8Å; Y382-K384 HydrophobicContact CE1-CG 3.94Å; Y382-K384 HydrophobicContact CG-CG 4.48Å; K384-D388 HydrophobicContact CB-CB 4.31Å
385	S	96.7	Very high	88	Confident	29 Å²	29	62.3 Å²	62.3	20%	0.203	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	146.1	173.2	-178	0	0	0	0	110.1	E368 Y370 K387 D388 L389	E368-S385 CarbonylContact O-C 3.4Å; E368-S385 WeakPolarHBondContact O-CA 3.48Å; Y370-S385 VanDerWaalsContact CE1-O 3.26Å; Y370-S385 WeakPolarHBondContact CE1-O 3.34Å; S385-K387 PolarHBondContact O-N 2.84Å; S385-K387 PolarHBondContact OG-N 2.98Å; S385-D388 WeakPolarHBondContact CB-OD2 3.29Å; S385-D388 PolarHBondContact N-OD2 3.33Å; S385-D388 VanDerWaalsContact N-OD2 3.12Å; S385-D388 WeakPolarHBondContact O-CA 3.49Å; S385-D388 VanDerWaalsContact O-CB 3.32Å; S385-D388 WeakPolarHBondContact O-CB 3.21Å; S385-D388 PolarHBondContact O-N 3.43Å; S385-L389 PolarHBondContact O-N 2.62Å
386	I	95.6	Very high	89.1	Confident	1 Å²	1	60 Å²	60	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-56.2	-26.2	171.5	-62.3	164.9	0	0	0	111.1	F365 G367 E368 D388 L389 L393 P394 I398	F365-I386 HydrophobicContact CD1-CD1 4.21Å; F365-I386 HydrophobicContact CD1-CG1 4.12Å; F365-I386 HydrophobicContact CE1-CG1 4.33Å; G367-I386 VanDerWaalsContact O-CD1 3.23Å; G367-I386 WeakPolarHBondContact O-CD1 3.24Å; E368-I386 PolarHBondContact O-N 3.16Å; I386-D388 PolarHBondContact O-N 3.3Å; I386-L389 WeakPolarHBondContact O-CB 3.37Å; I386-L389 PolarHBondContact O-N 2.9Å; I386-L393 HydrophobicContact CG2-CB 4.24Å; I386-L393 HydrophobicContact CG2-CD1 4.48Å; I386-P394 WeakPolarHBondContact CG2-O 3.4Å; I386-I398 HydrophobicContact CD1-CG1 4.14Å
387	K	93.1	Very high	90.5	Very high	117 Å²	117	60.4 Å²	60.4	51%	0.509	34%	0.335	S	S	.	.	H	α-helix	trans	-58.2	-34	172.1	-63.4	172.1	-169.6	164.4	0	112.4	S385 L389 K395	S385-K387 PolarHBondContact O-N 2.84Å; S385-K387 PolarHBondContact OG-N 2.98Å; K387-L389 VanDerWaalsContact C-N 3.33Å; K387-K395 HydrophobicContact CG-CB 4.3Å; K387-K395 HydrophobicContact CG-CD 4.26Å; K387-K395 HydrophobicContact CG-CG 4.07Å
388	D	93.4	Very high	92	Very high	90 Å²	90	56 Å²	56	48%	0.481	31%	0.308	S	S	.	.	H	α-helix	trans	-82.1	-14.3	178.3	-51.3	-43.8	0	0	0	112	K384 S385 I386 R426	K384-D388 HydrophobicContact CB-CB 4.31Å; S385-D388 WeakPolarHBondContact CB-OD2 3.29Å; S385-D388 PolarHBondContact N-OD2 3.33Å; S385-D388 VanDerWaalsContact N-OD2 3.12Å; S385-D388 WeakPolarHBondContact O-CA 3.49Å; S385-D388 VanDerWaalsContact O-CB 3.32Å; S385-D388 WeakPolarHBondContact O-CB 3.21Å; S385-D388 PolarHBondContact O-N 3.43Å; I386-D388 PolarHBondContact O-N 3.3Å; D388-R426 VanDerWaalsContact O-CZ 3.22Å; D388-R426 PolarHBondContact O-NH1 2.89Å; D388-R426 PolarHBondContact O-NH2 3.47Å
389	L	93.3	Very high	92.8	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-66.6	-41.2	-179.9	-179	56.2	0	0	0	111.1	F365 Y370 S385 I386 K387 L393 F412 F421 R426	F365-L389 HydrophobicContact CE1-CD2 3.68Å; F365-L389 HydrophobicContact CZ-CD2 3.8Å; Y370-L389 HydrophobicContact CD1-CB 4.3Å; Y370-L389 HydrophobicContact CD2-CD1 4.36Å; Y370-L389 HydrophobicContact CE1-CB 3.77Å; Y370-L389 HydrophobicContact CE1-CD1 4.41Å; Y370-L389 HydrophobicContact CE2-CD1 3.71Å; S385-L389 PolarHBondContact O-N 2.62Å; I386-L389 WeakPolarHBondContact O-CB 3.37Å; I386-L389 PolarHBondContact O-N 2.9Å; K387-L389 VanDerWaalsContact C-N 3.33Å; L389-L393 HydrophobicContact CB-CD1 4.14Å; L389-L393 HydrophobicContact CD2-CD1 3.62Å; L389-L393 HydrophobicContact CG-CD1 3.79Å; L389-F412 HydrophobicContact CD2-CE2 4.42Å; L389-F412 HydrophobicContact CD2-CZ 4.01Å; L389-F421 HydrophobicContact CG-CZ 4.33Å; L389-R426 VanDerWaalsContact C-NH2 3.33Å; L389-R426 VanDerWaalsContact CA-NH2 3.26Å; L389-R426 PolarHBondContact O-NE 2.88Å; L389-R426 PolarHBondContact O-NH2 2.83Å
390	G	90.8	Very high	93.3	Very high	16 Å²	16	52.1 Å²	52.1	17%	0.165	29%	0.289	C	S	.	.			trans	165	171.5	177.1	0	0	0	0	0	113.4	R426	G390-R426 CarbonylContact C-O 3.44Å; G390-R426 WeakPolarHBondContact CA-O 3.28Å
391	A	93.2	Very high	93.7	Very high	60 Å²	60	42.3 Å²	42.3	50%	0.496	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-81.4	140.6	-175.7	0	0	0	0	0	112.4	R426 K427 V428	A391-R426 PolarHBondContact N-O 3.07Å; A391-K427 HydrophobicContact CB-CG 4.32Å; A391-V428 PolarHBondContact O-N 3.34Å
392	G	92.4	Very high	94.1	Very high	53 Å²	53	40 Å²	40	55%	0.546	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	2.5	174.2	0	0	0	0	0	115.7	V428	G392-V428 VanDerWaalsContact C-CG2 3.46Å; G392-V428 WeakPolarHBondContact O-CG2 3.46Å
393	L	95.1	Very high	94.2	Very high	15 Å²	15	40.2 Å²	40.2	8%	0.079	22%	0.224	C	C	.	.	S	Bend	trans	-82.8	156.8	173.6	-67.8	174.9	0	0	0	112.3	I386 L389 F412 F421 V428	I386-L393 HydrophobicContact CG2-CB 4.24Å; I386-L393 HydrophobicContact CG2-CD1 4.48Å; L389-L393 HydrophobicContact CB-CD1 4.14Å; L389-L393 HydrophobicContact CD2-CD1 3.62Å; L389-L393 HydrophobicContact CG-CD1 3.79Å; L393-F412 HydrophobicContact CD1-CD2 4.32Å; L393-F412 HydrophobicContact CD1-CE2 4.1Å; L393-F412 HydrophobicContact CD2-CB 4.34Å; L393-F412 HydrophobicContact CD2-CD2 3.38Å; L393-F412 HydrophobicContact CD2-CE2 3.96Å; L393-F412 HydrophobicContact CD2-CG 4.12Å; L393-F421 HydrophobicContact CD1-CD2 3.95Å; L393-F421 HydrophobicContact CD1-CE2 3.82Å; L393-F421 HydrophobicContact CD1-CZ 4.35Å; L393-F421 HydrophobicContact CD2-CD2 4.06Å; L393-F421 HydrophobicContact CG-CD2 4.04Å; L393-F421 HydrophobicContact CG-CE2 4.23Å; L393-V428 HydrophobicContact CD2-CG2 3.53Å; L393-V428 HydrophobicContact CG-CG2 3.83Å
394	P	92.8	Very high	93.9	Very high	10 Å²	10	39.7 Å²	39.7	7%	0.065	22%	0.217	C	C	.	.			trans	-55.7	144.1	165.9	-20.6	31.1	0	0	0	111.9	I386 I398 K414 Y419	I386-P394 WeakPolarHBondContact CG2-O 3.4Å; P394-I398 HydrophobicContact CB-CD1 4.32Å; P394-I398 HydrophobicContact CG-CD1 4.01Å; P394-K414 HydrophobicContact CB-CD 3.43Å; P394-K414 VanDerWaalsContact CB-CD 3.43Å; P394-K414 HydrophobicContact CG-CB 4.13Å; P394-K414 HydrophobicContact CG-CD 3.55Å; P394-K414 HydrophobicContact CG-CG 4.47Å; P394-Y419 HydrophobicContact CG-CD2 4.1Å; P394-Y419 HydrophobicContact CG-CE1 4.21Å; P394-Y419 HydrophobicContact CG-CE2 3.48Å; P394-Y419 VanDerWaalsContact CG-CE2 3.48Å
395	K	89.6	Confident	93.2	Very high	138 Å²	138	40.3 Å²	40.3	60%	0.6	23%	0.227	S	C	*	.	S	Bend	trans	-97.2	-15.4	-174.5	-63.2	-177.4	178.6	178.8	0	114.3	K387	K387-K395 HydrophobicContact CG-CB 4.3Å; K387-K395 HydrophobicContact CG-CD 4.26Å; K387-K395 HydrophobicContact CG-CG 4.07Å
396	D	89.9	Confident	92.4	Very high	64 Å²	64	42.9 Å²	42.9	34%	0.342	24%	0.243	S	C	.	.	S	Bend	trans	-98.4	-49.2	-170.6	57.5	-37.2	0	0	0	113.1	G367 E368 K414	G367-D396 CarbonylContact C-O 3.57Å; G367-D396 VanDerWaalsContact O-O 3.07Å; E368-D396 WeakPolarHBondContact CA-O 3.45Å; E368-D396 WeakPolarHBondContact CG-O 3.44Å; E368-D396 PolarHBondContact N-O 2.91Å; E368-D396 VanDerWaalsContact N-O 3.13Å; D396-K414 VanDerWaalsContact OD1-CE 3.27Å; D396-K414 WeakPolarHBondContact OD1-CE 3.21Å; D396-K414 IonicContact OD1-NZ 2.81Å; D396-K414 PolarHBondContact OD1-NZ 3.41Å; D396-K414 WeakPolarHBondContact OD2-CE 3.24Å; D396-K414 IonicContact OD2-NZ 3.59Å; D396-K414 PolarHBondContact OD2-NZ 2.87Å
397	K	94.4	Very high	91.8	Very high	78 Å²	78	46.2 Å²	46.2	34%	0.339	26%	0.263	S	S	.	.			trans	-165.9	162.2	175.6	62.2	168.9	-178.4	148.8	0	112.8	G367 D399	G367-K397 WeakPolarHBondContact O-CA 3.24Å; K397-D399 VanDerWaalsContact CE-OD1 3.28Å; K397-D399 WeakPolarHBondContact CE-OD1 3.03Å; K397-D399 IonicContact NZ-OD1 3.85Å; K397-D399 PolarHBondContact NZ-OD1 3.24Å
398	I	97.9	Very high	91.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.257	C	S	.	.			trans	-114.9	126.8	169.2	-60.6	-54.6	0	0	0	108.1	N352 A353 F365 I386 P394 A400 F412	N352-I398 VanDerWaalsContact CB-O 3.22Å; N352-I398 WeakPolarHBondContact CB-O 3.34Å; A353-I398 HydrophobicContact CB-CG2 4.14Å; F365-I398 HydrophobicContact CB-CB 4.4Å; F365-I398 HydrophobicContact CD1-CB 4.1Å; F365-I398 HydrophobicContact CD1-CG1 3.86Å; F365-I398 HydrophobicContact CE1-CG1 3.97Å; F365-I398 HydrophobicContact CG-CB 4.11Å; F365-I398 HydrophobicContact CG-CG1 4.37Å; I386-I398 HydrophobicContact CD1-CG1 4.14Å; P394-I398 HydrophobicContact CB-CD1 4.32Å; P394-I398 HydrophobicContact CG-CD1 4.01Å; I398-A400 VanDerWaalsContact CG2-O 3.31Å; I398-A400 WeakPolarHBondContact CG2-O 3.06Å; I398-F412 HydrophobicContact CD1-CB 4.2Å; I398-F412 HydrophobicContact CD1-CG 4.44Å; I398-F412 HydrophobicContact CG1-CD1 4.41Å; I398-F412 HydrophobicContact CG2-CB 4.34Å; I398-F412 HydrophobicContact CG2-CD1 3.73Å; I398-F412 HydrophobicContact CG2-CG 4.46Å
399	D	96.6	Very high	91.3	Very high	17 Å²	17	39.9 Å²	39.9	9%	0.091	24%	0.242	C	C	.	.	S	Bend	trans	-85.9	-33.1	-178.3	-66.7	-39.8	0	0	0	112.3	N352 K397 F413 K414 G415	N352-D399 VanDerWaalsContact O-O 3.13Å; K397-D399 VanDerWaalsContact CE-OD1 3.28Å; K397-D399 WeakPolarHBondContact CE-OD1 3.03Å; K397-D399 IonicContact NZ-OD1 3.85Å; K397-D399 PolarHBondContact NZ-OD1 3.24Å; D399-F413 PolarHBondContact N-O 3.14Å; D399-K414 WeakPolarHBondContact OD2-CA 3.33Å; D399-G415 PolarHBondContact OD2-N 3.01Å
400	A	97.6	Very high	91.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	156.1	171.7	0	0	0	0	0	111.1	I398 F413 I446 T449	I398-A400 VanDerWaalsContact CG2-O 3.31Å; I398-A400 WeakPolarHBondContact CG2-O 3.06Å; A400-F413 HydrophobicContact CB-CB 4.23Å; A400-F413 HydrophobicContact CB-CD2 4.48Å; A400-F413 PolarHBondContact N-O 3.18Å; A400-F413 PolarHBondContact O-N 3.01Å; A400-I446 HydrophobicContact CB-CD1 3.82Å; A400-I446 HydrophobicContact CB-CG1 3.89Å; A400-T449 HydrophobicContact CB-CG2 3.86Å
401	A	97.1	Very high	91.7	Very high	2 Å²	2	40 Å²	40	2%	0.017	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.1	179.6	0	0	0	0	0	110.2	A353 Y355 F365 Y411 F412	A353-A401 HydrophobicContact CB-CB 4.44Å; Y355-A401 HydrophobicContact CD1-CB 3.43Å; Y355-A401 VanDerWaalsContact CD1-CB 3.43Å; Y355-A401 HydrophobicContact CE1-CB 4.04Å; Y355-A401 HydrophobicContact CG-CB 3.89Å; F365-A401 HydrophobicContact CE2-CB 4.22Å; A401-Y411 CarbonylContact C-O 3.56Å; A401-Y411 WeakPolarHBondContact CA-O 3.39Å; A401-F412 HydrophobicContact CB-CD1 3.67Å; A401-F412 HydrophobicContact CB-CE1 3.7Å
402	L	95.5	Very high	91.9	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	119.8	179.6	174.7	66.9	0	0	0	109.9	Y404 T410 Y411 F413 W439 T449 M451 T458	L402-Y404 HydrophobicContact CD2-CD2 4.12Å; L402-Y404 PolarHBondContact O-N 3.43Å; L402-T410 CarbonylContact O-C 3.59Å; L402-T410 WeakPolarHBondContact O-CA 3.36Å; L402-Y411 PolarHBondContact N-O 3.47Å; L402-Y411 PolarHBondContact O-N 3.25Å; L402-F413 HydrophobicContact CB-CE2 4.18Å; L402-W439 HydrophobicContact CD2-CH2 4.39Å; L402-T449 HydrophobicContact CB-CG2 3.71Å; L402-M451 HydrophobicContact CD1-CB 4.41Å; L402-M451 HydrophobicContact CD1-CG 3.68Å; L402-M451 HydrophobicContact CD1-SD 4.28Å; L402-M451 HydrophobicContact CD2-CG 4.38Å; L402-M451 HydrophobicContact CG-CG 4.49Å; L402-T458 HydrophobicContact CD2-CG2 3.76Å
403	F	92.6	Very high	92.1	Very high	40 Å²	40	34.8 Å²	34.8	18%	0.175	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	110.1	163.1	-179.8	-115.6	0	0	0	109.3	Y355 E356 N358 T405	Y355-F403 HydrophobicContact CD2-CB 3.94Å; Y355-F403 HydrophobicContact CE2-CB 4.32Å; E356-F403 WeakPolarHBondContact O-CB 3.46Å; N358-F403 HydrophobicContact CB-CE1 4.03Å; N358-F403 HydrophobicContact CB-CE2 3.76Å; N358-F403 HydrophobicContact CB-CZ 3.43Å; N358-F403 VanDerWaalsContact CB-CZ 3.43Å; F403-T405 HydrophobicContact CD1-CG2 3.87Å; F403-T405 HydrophobicContact CE1-CG2 3.88Å; F403-T405 PolarHBondContact O-N 3.07Å
404	Y	88.4	Confident	92.2	Very high	27 Å²	27	36.7 Å²	36.7	11%	0.106	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	96	-177.6	-165.9	-103.2	0	0	0	109.8	L402 P406 T407 G408 Q409 Y411 W439 M451	L402-Y404 HydrophobicContact CD2-CD2 4.12Å; L402-Y404 PolarHBondContact O-N 3.43Å; Y404-P406 HydrophobicContact CD1-CB 4.26Å; Y404-P406 HydrophobicContact CD1-CG 4.17Å; Y404-P406 HydrophobicContact CE1-CB 3.76Å; Y404-P406 HydrophobicContact CE1-CG 3.69Å; Y404-T407 HydrophobicContact CD1-CG2 3.96Å; Y404-T407 WeakPolarHBondContact CD1-OG1 3.43Å; Y404-T407 HydrophobicContact CE1-CG2 4.01Å; Y404-T407 PolarHBondContact O-N 3.33Å; Y404-G408 PolarHBondContact O-N 3.48Å; Y404-Q409 WeakPolarHBondContact CA-O 3.11Å; Y404-Q409 WeakPolarHBondContact CB-O 3.45Å; Y404-Q409 PolarHBondContact N-O 3.33Å; Y404-Q409 PolarHBondContact O-N 2.91Å; Y404-Y411 VanDerWaalsContact CB-CE2 3.47Å; Y404-Y411 HydrophobicContact CD1-CE2 4.17Å; Y404-Y411 HydrophobicContact CG-CD2 4.29Å; Y404-Y411 AromaticContact CG-CE2 3.92Å; Y404-Y411 HydrophobicContact CG-CE2 3.92Å; Y404-W439 HydrophobicContact CD2-CH2 4.42Å; Y404-W439 HydrophobicContact CE2-CH2 4.3Å; Y404-M451 HydrophobicContact CD2-CE 4.3Å; Y404-M451 HydrophobicContact CD2-SD 3.38Å; Y404-M451 WeakPolarHBondContact CD2-SD 3.47Å; Y404-M451 HydrophobicContact CE2-CE 4.21Å; Y404-M451 HydrophobicContact CE2-SD 3.81Å; Y404-M451 HydrophobicContact CG-SD 4.1Å
405	T	81.3	Confident	92.2	Very high	84 Å²	84	37.1 Å²	37.1	52%	0.515	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-37.5	-172.8	57.4	0	0	0	0	114.5	F403 T407 G408	F403-T405 HydrophobicContact CD1-CG2 3.87Å; F403-T405 HydrophobicContact CE1-CG2 3.88Å; F403-T405 PolarHBondContact O-N 3.07Å; T405-T407 VanDerWaalsContact C-N 3.27Å; T405-T407 PolarHBondContact O-N 2.92Å; T405-G408 PolarHBondContact O-N 3.1Å
406	P	80	Confident	92.4	Very high	82 Å²	82	34.4 Å²	34.4	53%	0.532	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.2	-177.4	-24	35.4	0	0	0	114.3	Y404 M451	Y404-P406 HydrophobicContact CD1-CB 4.26Å; Y404-P406 HydrophobicContact CD1-CG 4.17Å; Y404-P406 HydrophobicContact CE1-CB 3.76Å; Y404-P406 HydrophobicContact CE1-CG 3.69Å; P406-M451 HydrophobicContact CG-CE 4.02Å
407	T	83.1	Confident	92.8	Very high	72 Å²	72	35.1 Å²	35.1	44%	0.442	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-5.9	177.4	68.8	0	0	0	0	113.5	Y404 T405 Q409	Y404-T407 HydrophobicContact CD1-CG2 3.96Å; Y404-T407 WeakPolarHBondContact CD1-OG1 3.43Å; Y404-T407 HydrophobicContact CE1-CG2 4.01Å; Y404-T407 PolarHBondContact O-N 3.33Å; T405-T407 VanDerWaalsContact C-N 3.27Å; T405-T407 PolarHBondContact O-N 2.92Å; T407-Q409 PolarHBondContact O-N 3.27Å
408	G	84.3	Confident	92.9	Very high	36 Å²	36	32.1 Å²	32.1	37%	0.371	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	28	-173.4	0	0	0	0	0	113.9	Y404 T405	Y404-G408 PolarHBondContact O-N 3.48Å; T405-G408 PolarHBondContact O-N 3.1Å
409	Q	90.8	Very high	92.9	Very high	38 Å²	38	33.2 Å²	33.2	18%	0.178	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148	-178.8	-67.2	-175.7	-11.9	0	0	110.7	Y404 T407 Y411 R420	Y404-Q409 WeakPolarHBondContact CA-O 3.11Å; Y404-Q409 WeakPolarHBondContact CB-O 3.45Å; Y404-Q409 PolarHBondContact N-O 3.33Å; Y404-Q409 PolarHBondContact O-N 2.91Å; T407-Q409 PolarHBondContact O-N 3.27Å; Q409-Y411 HydrophobicContact CB-CE2 4.06Å; Q409-R420 HydrophobicContact CB-CG 4.3Å
410	T	96.1	Very high	92.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.7	178.1	-54.8	0	0	0	0	109.7	Y355 L402 F412 F421 E423	Y355-T410 HydrophobicContact CD2-CG2 4.32Å; Y355-T410 HydrophobicContact CE1-CG2 4.48Å; Y355-T410 HydrophobicContact CE2-CG2 3.68Å; L402-T410 CarbonylContact O-C 3.59Å; L402-T410 WeakPolarHBondContact O-CA 3.36Å; T410-F412 HydrophobicContact CG2-CD1 4.39Å; T410-F412 HydrophobicContact CG2-CD2 4.3Å; T410-F412 HydrophobicContact CG2-CE1 3.85Å; T410-F412 HydrophobicContact CG2-CE2 3.77Å; T410-F412 HydrophobicContact CG2-CZ 3.51Å; T410-F421 PolarHBondContact N-O 3.34Å; T410-F421 WeakPolarHBondContact O-CA 3.41Å; T410-F421 WeakPolarHBondContact O-CB 3.26Å; T410-F421 PolarHBondContact O-N 3.32Å; T410-E423 WeakPolarHBondContact CB-OE1 3.31Å; T410-E423 WeakPolarHBondContact OG1-CG 3.26Å; T410-E423 PolarHBondContact OG1-OE1 3.07Å
411	Y	96.4	Very high	92.8	Very high	20 Å²	20	34.9 Å²	34.9	8%	0.078	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.2	177.9	-71.2	-114.2	0	0	0	108.3	A401 L402 Y404 Q409 Y418 Y419 R420 W439	A401-Y411 CarbonylContact C-O 3.56Å; A401-Y411 WeakPolarHBondContact CA-O 3.39Å; L402-Y411 PolarHBondContact N-O 3.47Å; L402-Y411 PolarHBondContact O-N 3.25Å; Y404-Y411 VanDerWaalsContact CB-CE2 3.47Å; Y404-Y411 HydrophobicContact CD1-CE2 4.17Å; Y404-Y411 HydrophobicContact CG-CD2 4.29Å; Y404-Y411 AromaticContact CG-CE2 3.92Å; Y404-Y411 HydrophobicContact CG-CE2 3.92Å; Q409-Y411 HydrophobicContact CB-CE2 4.06Å; Y411-Y418 AromaticContact CD1-CD2 3.68Å; Y411-Y418 HydrophobicContact CD1-CD2 3.68Å; Y411-Y418 AromaticContact CD1-CE2 3.71Å; Y411-Y418 HydrophobicContact CD1-CE2 3.71Å; Y411-Y418 HydrophobicContact CE1-CD2 4.26Å; Y411-Y418 AromaticContact CE1-CE2 3.82Å; Y411-Y418 HydrophobicContact CE1-CE2 3.82Å; Y411-Y419 CarbonylContact C-O 3.54Å; Y411-Y419 VanDerWaalsContact CA-O 3.31Å; Y411-Y419 WeakPolarHBondContact CA-O 3.42Å; Y411-R420 HydrophobicContact CE1-CB 4.32Å; Y411-R420 HydrophobicContact CE1-CG 4.1Å; Y411-R420 HydrophobicContact CE2-CG 4.16Å; Y411-R420 WeakPolarHBondContact OH-CD 3.2Å; Y411-W439 AromaticContact CD1-CZ2 3.88Å; Y411-W439 HydrophobicContact CD1-CZ2 3.88Å; Y411-W439 HydrophobicContact CE1-CZ2 4.14Å
412	F	97.8	Very high	92.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	138.8	174.3	-65.4	-68.5	0	0	0	110.1	Y355 F365 L389 L393 I398 A401 T410 Y418 Y419 F421	Y355-F412 AromaticContact CE1-CE1 3.96Å; Y355-F412 HydrophobicContact CE1-CE1 3.96Å; Y355-F412 HydrophobicContact CE1-CZ 4.28Å; F365-F412 HydrophobicContact CE1-CE1 4.43Å; F365-F412 AromaticContact CE2-CE1 3.76Å; F365-F412 HydrophobicContact CE2-CE1 3.76Å; F365-F412 HydrophobicContact CZ-CD1 4.33Å; F365-F412 AromaticContact CZ-CE1 3.47Å; F365-F412 HydrophobicContact CZ-CE1 3.47Å; F365-F412 VanDerWaalsContact CZ-CE1 3.47Å; F365-F412 HydrophobicContact CZ-CZ 4.01Å; L389-F412 HydrophobicContact CD2-CE2 4.42Å; L389-F412 HydrophobicContact CD2-CZ 4.01Å; L393-F412 HydrophobicContact CD1-CD2 4.32Å; L393-F412 HydrophobicContact CD1-CE2 4.1Å; L393-F412 HydrophobicContact CD2-CB 4.34Å; L393-F412 HydrophobicContact CD2-CD2 3.38Å; L393-F412 HydrophobicContact CD2-CE2 3.96Å; L393-F412 HydrophobicContact CD2-CG 4.12Å; I398-F412 HydrophobicContact CD1-CB 4.2Å; I398-F412 HydrophobicContact CD1-CG 4.44Å; I398-F412 HydrophobicContact CG1-CD1 4.41Å; I398-F412 HydrophobicContact CG2-CB 4.34Å; I398-F412 HydrophobicContact CG2-CD1 3.73Å; I398-F412 HydrophobicContact CG2-CG 4.46Å; A401-F412 HydrophobicContact CB-CD1 3.67Å; A401-F412 HydrophobicContact CB-CE1 3.7Å; T410-F412 HydrophobicContact CG2-CD1 4.39Å; T410-F412 HydrophobicContact CG2-CD2 4.3Å; T410-F412 HydrophobicContact CG2-CE1 3.85Å; T410-F412 HydrophobicContact CG2-CE2 3.77Å; T410-F412 HydrophobicContact CG2-CZ 3.51Å; F412-Y418 CarbonylContact O-C 3.59Å; F412-Y418 WeakPolarHBondContact O-CA 3.29Å; F412-Y419 PolarHBondContact N-O 3.3Å; F412-Y419 PolarHBondContact O-N 2.84Å; F412-F421 HydrophobicContact CD2-CB 3.75Å; F412-F421 HydrophobicContact CD2-CG 4.22Å; F412-F421 HydrophobicContact CE2-CB 3.63Å; F412-F421 AromaticContact CE2-CD1 3.72Å; F412-F421 HydrophobicContact CE2-CD1 3.72Å; F412-F421 HydrophobicContact CE2-CD2 4.42Å; F412-F421 HydrophobicContact CE2-CE1 4.44Å; F412-F421 AromaticContact CE2-CG 3.69Å; F412-F421 HydrophobicContact CE2-CG 3.69Å; F412-F421 HydrophobicContact CZ-CD1 4.49Å
413	F	97.7	Very high	92.4	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.6	-178.2	-62.3	-99.8	0	0	0	109.9	D399 A400 L402 Y418 I436 W439 I446 T449 F460	D399-F413 PolarHBondContact N-O 3.14Å; A400-F413 HydrophobicContact CB-CB 4.23Å; A400-F413 HydrophobicContact CB-CD2 4.48Å; A400-F413 PolarHBondContact N-O 3.18Å; A400-F413 PolarHBondContact O-N 3.01Å; L402-F413 HydrophobicContact CB-CE2 4.18Å; F413-Y418 VanDerWaalsContact CD1-CB 3.46Å; F413-Y418 HydrophobicContact CD1-CG 4.43Å; F413-Y418 HydrophobicContact CE1-CG 4.13Å; F413-I436 HydrophobicContact CD1-CD1 3.82Å; F413-I436 HydrophobicContact CD1-CG1 4.35Å; F413-I436 HydrophobicContact CE1-CD1 4.18Å; F413-I436 HydrophobicContact CE1-CG1 4.36Å; F413-W439 AromaticContact CE1-NE1 3.85Å; F413-W439 HydrophobicContact CZ-CZ2 4.13Å; F413-I446 HydrophobicContact CB-CD1 3.81Å; F413-I446 HydrophobicContact CB-CG1 4.05Å; F413-I446 HydrophobicContact CD1-CD1 3.73Å; F413-I446 HydrophobicContact CD2-CD1 4.06Å; F413-I446 HydrophobicContact CE1-CD1 4.29Å; F413-I446 HydrophobicContact CG-CD1 3.6Å; F413-I446 HydrophobicContact CG-CG1 4.37Å; F413-T449 HydrophobicContact CD2-CG2 3.72Å; F413-T449 HydrophobicContact CE2-CG2 3.59Å; F413-T449 HydrophobicContact CZ-CG2 4.4Å; F413-F460 HydrophobicContact CE1-CE1 4.01Å; F413-F460 HydrophobicContact CZ-CE1 4.02Å
414	K	96.6	Very high	92.3	Very high	55 Å²	55	44 Å²	44	24%	0.239	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	119.5	175.5	-175.4	-174.4	172.4	-164.6	0	110.3	P394 D396 D399 T416 Q417 Y419	P394-K414 HydrophobicContact CB-CD 3.43Å; P394-K414 VanDerWaalsContact CB-CD 3.43Å; P394-K414 HydrophobicContact CG-CB 4.13Å; P394-K414 HydrophobicContact CG-CD 3.55Å; P394-K414 HydrophobicContact CG-CG 4.47Å; D396-K414 VanDerWaalsContact OD1-CE 3.27Å; D396-K414 WeakPolarHBondContact OD1-CE 3.21Å; D396-K414 IonicContact OD1-NZ 2.81Å; D396-K414 PolarHBondContact OD1-NZ 3.41Å; D396-K414 WeakPolarHBondContact OD2-CE 3.24Å; D396-K414 IonicContact OD2-NZ 3.59Å; D396-K414 PolarHBondContact OD2-NZ 2.87Å; D399-K414 WeakPolarHBondContact OD2-CA 3.33Å; K414-T416 PolarHBondContact O-N 3.17Å; K414-T416 VanDerWaalsContact O-N 3.08Å; K414-Q417 PolarHBondContact N-O 3.07Å; K414-Q417 PolarHBondContact O-N 3.33Å; K414-Y419 HydrophobicContact CB-CE2 4.19Å
415	G	93.5	Very high	92.6	Very high	20 Å²	20	46.6 Å²	46.6	21%	0.206	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	-112.1	-178.5	0	0	0	0	0	112.2	D399 N445	D399-G415 PolarHBondContact OD2-N 3.01Å; G415-N445 WeakPolarHBondContact CA-OD1 3.19Å; G415-N445 PolarHBondContact O-N 2.67Å
416	T	93.6	Very high	93.2	Very high	80 Å²	80	47.5 Å²	47.5	49%	0.491	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	3.5	-179.6	58.7	0	0	0	0	113.6	K414 P435 I436 D444	K414-T416 PolarHBondContact O-N 3.17Å; K414-T416 VanDerWaalsContact O-N 3.08Å; T416-P435 WeakPolarHBondContact O-CA 3.46Å; T416-I436 PolarHBondContact O-N 2.82Å; T416-D444 HydrophobicContact CG2-CB 4.06Å
417	Q	96.6	Very high	93.9	Very high	79 Å²	79	49.7 Å²	49.7	37%	0.369	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	157.1	-173	-68	-174.3	-26.7	0	0	112.2	K414 Y419 P433 K434	K414-Q417 PolarHBondContact N-O 3.07Å; K414-Q417 PolarHBondContact O-N 3.33Å; Q417-Y419 HydrophobicContact CB-CE2 4.34Å; Q417-Y419 PolarHBondContact OE1-OH 2.71Å; Q417-P433 HydrophobicContact CB-CB 4.05Å; Q417-P433 HydrophobicContact CG-CB 4.36Å; Q417-K434 CarbonylContact C-O 3.6Å; Q417-K434 WeakPolarHBondContact CA-O 3.38Å
418	Y	97.1	Very high	94.6	Very high	16 Å²	16	47.3 Å²	47.3	6%	0.063	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153	170.2	78.4	-79	0	0	0	111.6	Y411 F412 F413 Y432 P433 K434 P435 K438 W439	Y411-Y418 AromaticContact CD1-CD2 3.68Å; Y411-Y418 HydrophobicContact CD1-CD2 3.68Å; Y411-Y418 AromaticContact CD1-CE2 3.71Å; Y411-Y418 HydrophobicContact CD1-CE2 3.71Å; Y411-Y418 HydrophobicContact CE1-CD2 4.26Å; Y411-Y418 AromaticContact CE1-CE2 3.82Å; Y411-Y418 HydrophobicContact CE1-CE2 3.82Å; F412-Y418 CarbonylContact O-C 3.59Å; F412-Y418 WeakPolarHBondContact O-CA 3.29Å; F413-Y418 VanDerWaalsContact CD1-CB 3.46Å; F413-Y418 HydrophobicContact CD1-CG 4.43Å; F413-Y418 HydrophobicContact CE1-CG 4.13Å; Y418-Y432 HydrophobicContact CD2-CD1 4.38Å; Y418-Y432 HydrophobicContact CD2-CE1 4.01Å; Y418-Y432 HydrophobicContact CE2-CD1 4.18Å; Y418-Y432 AromaticContact CE2-CE1 3.41Å; Y418-Y432 HydrophobicContact CE2-CE1 3.41Å; Y418-Y432 VanDerWaalsContact CE2-CE1 3.41Å; Y418-Y432 AromaticContact CZ-CE1 3.76Å; Y418-P433 VanDerWaalsContact O-CA 3.31Å; Y418-P433 WeakPolarHBondContact O-CA 3.44Å; Y418-K434 HydrophobicContact CD1-CB 4.12Å; Y418-K434 WeakPolarHBondContact CD1-O 3.32Å; Y418-K434 HydrophobicContact CE1-CB 3.42Å; Y418-K434 VanDerWaalsContact CE1-CB 3.42Å; Y418-K434 PolarHBondContact N-O 2.72Å; Y418-K434 PolarHBondContact O-N 3.04Å; Y418-P435 WeakPolarHBondContact CE1-O 3.3Å; Y418-K438 HydrophobicContact CE1-CB 4.11Å; Y418-W439 AromaticContact CD1-NE1 3.85Å; Y418-W439 AromaticContact CD2-NE1 3.69Å; Y418-W439 AromaticContact CE1-CD1 3.89Å; Y418-W439 AromaticContact CE1-NE1 3.74Å; Y418-W439 AromaticContact CE2-NE1 3.51Å; Y418-W439 AromaticContact CG-NE1 3.84Å; Y418-W439 AromaticContact CZ-NE1 3.58Å
419	Y	97.6	Very high	95.2	Very high	22 Å²	22	48.9 Å²	48.9	9%	0.086	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.3	-172.1	-56.5	-102.9	0	0	0	108.5	P394 Y411 F412 K414 Q417 V428 P433	P394-Y419 HydrophobicContact CG-CD2 4.1Å; P394-Y419 HydrophobicContact CG-CE1 4.21Å; P394-Y419 HydrophobicContact CG-CE2 3.48Å; P394-Y419 VanDerWaalsContact CG-CE2 3.48Å; Y411-Y419 CarbonylContact C-O 3.54Å; Y411-Y419 VanDerWaalsContact CA-O 3.31Å; Y411-Y419 WeakPolarHBondContact CA-O 3.42Å; F412-Y419 PolarHBondContact N-O 3.3Å; F412-Y419 PolarHBondContact O-N 2.84Å; K414-Y419 HydrophobicContact CB-CE2 4.19Å; Q417-Y419 HydrophobicContact CB-CE2 4.34Å; Q417-Y419 PolarHBondContact OE1-OH 2.71Å; Y419-V428 HydrophobicContact CD1-CG1 4.27Å; Y419-P433 HydrophobicContact CD1-CB 3.88Å; Y419-P433 HydrophobicContact CD1-CG 4.41Å; Y419-P433 HydrophobicContact CE1-CB 3.53Å; Y419-P433 HydrophobicContact CE1-CG 3.75Å; Y419-P433 HydrophobicContact CE2-CB 4.27Å; Y419-P433 HydrophobicContact CG-CB 4.38Å
420	R	96.4	Very high	95.3	Very high	53 Å²	53	52 Å²	52	20%	0.2	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.4	175.1	-171.6	173.1	78.4	161.3	-2.2	109.4	Q409 Y411 V428 H429 Y432	Q409-R420 HydrophobicContact CB-CG 4.3Å; Y411-R420 HydrophobicContact CE1-CB 4.32Å; Y411-R420 HydrophobicContact CE1-CG 4.1Å; Y411-R420 HydrophobicContact CE2-CG 4.16Å; Y411-R420 WeakPolarHBondContact OH-CD 3.2Å; R420-V428 WeakPolarHBondContact O-CA 3.04Å; R420-H429 PolarHBondContact NH2-CD2 3.29Å; R420-H429 PolarHBondContact NH2-CE1 2.7Å; R420-H429 VanDerWaalsContact NH2-CE1 3.3Å; R420-H429 PolarHBondContact NH2-ND1 2.87Å; R420-H429 PolarHBondContact NH2-NE2 3.12Å; R420-H429 PolarHBondContact O-N 2.6Å; R420-Y432 HydrophobicContact CB-CD1 3.75Å; R420-Y432 HydrophobicContact CB-CD2 3.68Å; R420-Y432 HydrophobicContact CB-CE1 3.55Å; R420-Y432 HydrophobicContact CB-CE2 3.47Å; R420-Y432 VanDerWaalsContact CB-CE2 3.47Å; R420-Y432 HydrophobicContact CB-CG 3.81Å; R420-Y432 WeakPolarHBondContact CD-OH 3.29Å; R420-Y432 HydrophobicContact CG-CE2 4.21Å
421	F	96.4	Very high	95.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.4	-172.6	-174.9	-104.5	0	0	0	111.1	L389 L393 T410 F412 E423 R426 V428	L389-F421 HydrophobicContact CG-CZ 4.33Å; L393-F421 HydrophobicContact CD1-CD2 3.95Å; L393-F421 HydrophobicContact CD1-CE2 3.82Å; L393-F421 HydrophobicContact CD1-CZ 4.35Å; L393-F421 HydrophobicContact CD2-CD2 4.06Å; L393-F421 HydrophobicContact CG-CD2 4.04Å; L393-F421 HydrophobicContact CG-CE2 4.23Å; T410-F421 PolarHBondContact N-O 3.34Å; T410-F421 WeakPolarHBondContact O-CA 3.41Å; T410-F421 WeakPolarHBondContact O-CB 3.26Å; T410-F421 PolarHBondContact O-N 3.32Å; F412-F421 HydrophobicContact CD2-CB 3.75Å; F412-F421 HydrophobicContact CD2-CG 4.22Å; F412-F421 HydrophobicContact CE2-CB 3.63Å; F412-F421 AromaticContact CE2-CD1 3.72Å; F412-F421 HydrophobicContact CE2-CD1 3.72Å; F412-F421 HydrophobicContact CE2-CD2 4.42Å; F412-F421 HydrophobicContact CE2-CE1 4.44Å; F412-F421 AromaticContact CE2-CG 3.69Å; F412-F421 HydrophobicContact CE2-CG 3.69Å; F412-F421 HydrophobicContact CZ-CD1 4.49Å; F421-E423 HydrophobicContact CD1-CG 4.38Å; F421-E423 WeakPolarHBondContact CD1-OE1 3.38Å; F421-R426 VanDerWaalsContact CE2-C 3.42Å; F421-R426 HydrophobicContact CZ-CB 4.09Å; F421-V428 HydrophobicContact CD2-CG2 3.93Å
422	N	93.7	Very high	95.3	Very high	49 Å²	49	57 Å²	57	26%	0.262	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.1	173.6	178.6	-48.7	0	0	0	108.8	Q424 T425 R426 K427	N422-Q424 VanDerWaalsContact C-N 3.29Å; N422-Q424 PolarHBondContact O-N 3.22Å; N422-Q424 WeakPolarHBondContact OD1-CB 3.35Å; N422-Q424 PolarHBondContact OD1-N 3.1Å; N422-T425 WeakPolarHBondContact CB-OG1 3.43Å; N422-T425 VanDerWaalsContact CG-OG1 3.22Å; N422-T425 PolarHBondContact O-N 3.5Å; N422-T425 PolarHBondContact OD1-N 2.9Å; N422-T425 PolarHBondContact OD1-OG1 3.25Å; N422-R426 VanDerWaalsContact O-CA 3.29Å; N422-R426 WeakPolarHBondContact O-CA 3.34Å; N422-R426 PolarHBondContact O-N 2.96Å; N422-K427 PolarHBondContact N-O 3.47Å; N422-K427 PolarHBondContact O-N 2.89Å
423	E	91.3	Very high	95.2	Very high	20 Å²	20	59.6 Å²	59.6	9%	0.093	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-34.5	-177.7	-67.5	-65.7	158.6	0	0	113.3	Y355 T410 F421 R426	Y355-E423 PolarHBondContact OH-OE1 2.89Å; T410-E423 WeakPolarHBondContact CB-OE1 3.31Å; T410-E423 WeakPolarHBondContact OG1-CG 3.26Å; T410-E423 PolarHBondContact OG1-OE1 3.07Å; F421-E423 HydrophobicContact CD1-CG 4.38Å; F421-E423 WeakPolarHBondContact CD1-OE1 3.38Å; E423-R426 WeakPolarHBondContact O-CG 3.16Å
424	Q	90.4	Very high	95.2	Very high	168 Å²	168	62.6 Å²	62.6	79%	0.785	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-46.8	-177.6	-62.1	175.9	2.5	0	0	111.6	N422 R426	N422-Q424 VanDerWaalsContact C-N 3.29Å; N422-Q424 PolarHBondContact O-N 3.22Å; N422-Q424 WeakPolarHBondContact OD1-CB 3.35Å; N422-Q424 PolarHBondContact OD1-N 3.1Å; Q424-R426 VanDerWaalsContact C-N 3.35Å
425	T	93.6	Very high	95.2	Very high	82 Å²	82	63 Å²	63	50%	0.503	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.3	-180	62	0	0	0	0	113	N422 K427	N422-T425 WeakPolarHBondContact CB-OG1 3.43Å; N422-T425 VanDerWaalsContact CG-OG1 3.22Å; N422-T425 PolarHBondContact O-N 3.5Å; N422-T425 PolarHBondContact OD1-N 2.9Å; N422-T425 PolarHBondContact OD1-OG1 3.25Å; T425-K427 VanDerWaalsContact C-N 3.27Å; T425-K427 PolarHBondContact O-N 2.87Å
426	R	94.3	Very high	95.2	Very high	103 Å²	103	62.5 Å²	62.5	39%	0.389	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	42.6	-174.2	-54.9	-174.4	73.2	-173.7	7.8	113	Y370 D388 L389 G390 A391 F421 N422 E423 Q424	Y370-R426 PolarHBondContact OH-NH2 3.02Å; D388-R426 VanDerWaalsContact O-CZ 3.22Å; D388-R426 PolarHBondContact O-NH1 2.89Å; D388-R426 PolarHBondContact O-NH2 3.47Å; L389-R426 VanDerWaalsContact C-NH2 3.33Å; L389-R426 VanDerWaalsContact CA-NH2 3.26Å; L389-R426 PolarHBondContact O-NE 2.88Å; L389-R426 PolarHBondContact O-NH2 2.83Å; G390-R426 CarbonylContact C-O 3.44Å; G390-R426 WeakPolarHBondContact CA-O 3.28Å; A391-R426 PolarHBondContact N-O 3.07Å; F421-R426 VanDerWaalsContact CE2-C 3.42Å; F421-R426 HydrophobicContact CZ-CB 4.09Å; N422-R426 VanDerWaalsContact O-CA 3.29Å; N422-R426 WeakPolarHBondContact O-CA 3.34Å; N422-R426 PolarHBondContact O-N 2.96Å; E423-R426 WeakPolarHBondContact O-CG 3.16Å; Q424-R426 VanDerWaalsContact C-N 3.35Å
427	K	95.3	Very high	95.2	Very high	129 Å²	129	62.8 Å²	62.8	56%	0.561	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.8	-178.6	-70.6	-179	-178.1	-179	0	111.6	A391 N422 T425	A391-K427 HydrophobicContact CB-CG 4.32Å; N422-K427 PolarHBondContact N-O 3.47Å; N422-K427 PolarHBondContact O-N 2.89Å; T425-K427 VanDerWaalsContact C-N 3.27Å; T425-K427 PolarHBondContact O-N 2.87Å
428	V	96.9	Very high	95.1	Very high	21 Å²	21	65.3 Å²	65.3	13%	0.127	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	137.4	164.3	176.1	0	0	0	0	109.1	A391 G392 L393 Y419 R420 F421	A391-V428 PolarHBondContact O-N 3.34Å; G392-V428 VanDerWaalsContact C-CG2 3.46Å; G392-V428 WeakPolarHBondContact O-CG2 3.46Å; L393-V428 HydrophobicContact CD2-CG2 3.53Å; L393-V428 HydrophobicContact CG-CG2 3.83Å; Y419-V428 HydrophobicContact CD1-CG1 4.27Å; R420-V428 WeakPolarHBondContact O-CA 3.04Å; F421-V428 HydrophobicContact CD2-CG2 3.93Å
429	H	96.1	Very high	94.9	Very high	69 Å²	69	65 Å²	65	32%	0.319	33%	0.333	S	S	.	.			trans	-64.1	143	177.3	-174.5	-80.2	0	0	0	111.3	R420 D431 Y432	R420-H429 PolarHBondContact NH2-CD2 3.29Å; R420-H429 PolarHBondContact NH2-CE1 2.7Å; R420-H429 VanDerWaalsContact NH2-CE1 3.3Å; R420-H429 PolarHBondContact NH2-ND1 2.87Å; R420-H429 PolarHBondContact NH2-NE2 3.12Å; R420-H429 PolarHBondContact O-N 2.6Å; H429-D431 IonicContact CE1-OD1 3.89Å; H429-D431 IonicContact CE1-OD2 3.92Å; H429-D431 PolarHBondContact CE1-OD2 2.9Å; H429-D431 PolarHBondContact ND1-N 2.63Å; H429-D431 IonicContact ND1-OD2 2.71Å; H429-D431 PolarHBondContact O-N 2.78Å; H429-D431 VanDerWaalsContact O-N 3.08Å; H429-Y432 HydrophobicContact CB-CD2 3.74Å; H429-Y432 HydrophobicContact CB-CE2 4.15Å; H429-Y432 AromaticContact ND1-CD2 3.93Å; H429-Y432 WeakPolarHBondContact O-CB 3.16Å; H429-Y432 PolarHBondContact O-N 3.3Å
430	S	94.6	Very high	94.8	Very high	103 Å²	103	66.5 Å²	66.5	72%	0.72	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-39.5	-172.7	52.6	0	0	0	0	114.7	Y432	S430-Y432 PolarHBondContact O-N 2.77Å; S430-Y432 VanDerWaalsContact O-N 3.13Å
431	D	94.9	Very high	94.6	Very high	92 Å²	92	66.3 Å²	66.3	49%	0.492	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	10.5	-175.6	-50.4	-9.9	0	0	0	114.3	H429 K434	H429-D431 IonicContact CE1-OD1 3.89Å; H429-D431 IonicContact CE1-OD2 3.92Å; H429-D431 PolarHBondContact CE1-OD2 2.9Å; H429-D431 PolarHBondContact ND1-N 2.63Å; H429-D431 IonicContact ND1-OD2 2.71Å; H429-D431 PolarHBondContact O-N 2.78Å; H429-D431 VanDerWaalsContact O-N 3.08Å; D431-K434 WeakPolarHBondContact O-CE 3.48Å; D431-K434 VanDerWaalsContact O-CG 3.32Å; D431-K434 WeakPolarHBondContact O-CG 3.38Å
432	Y	96.3	Very high	94.5	Very high	33 Å²	33	67 Å²	67	13%	0.129	37%	0.366	C	S	.	.			trans	-119	150.4	-176.8	-70.2	-95.2	0	0	0	110.9	Y418 R420 H429 S430 K434	Y418-Y432 HydrophobicContact CD2-CD1 4.38Å; Y418-Y432 HydrophobicContact CD2-CE1 4.01Å; Y418-Y432 HydrophobicContact CE2-CD1 4.18Å; Y418-Y432 AromaticContact CE2-CE1 3.41Å; Y418-Y432 HydrophobicContact CE2-CE1 3.41Å; Y418-Y432 VanDerWaalsContact CE2-CE1 3.41Å; Y418-Y432 AromaticContact CZ-CE1 3.76Å; R420-Y432 HydrophobicContact CB-CD1 3.75Å; R420-Y432 HydrophobicContact CB-CD2 3.68Å; R420-Y432 HydrophobicContact CB-CE1 3.55Å; R420-Y432 HydrophobicContact CB-CE2 3.47Å; R420-Y432 VanDerWaalsContact CB-CE2 3.47Å; R420-Y432 HydrophobicContact CB-CG 3.81Å; R420-Y432 WeakPolarHBondContact CD-OH 3.29Å; R420-Y432 HydrophobicContact CG-CE2 4.21Å; H429-Y432 HydrophobicContact CB-CD2 3.74Å; H429-Y432 HydrophobicContact CB-CE2 4.15Å; H429-Y432 AromaticContact ND1-CD2 3.93Å; H429-Y432 WeakPolarHBondContact O-CB 3.16Å; H429-Y432 PolarHBondContact O-N 3.3Å; S430-Y432 PolarHBondContact O-N 2.77Å; S430-Y432 VanDerWaalsContact O-N 3.13Å; Y432-K434 HydrophobicContact CD1-CB 4.15Å; Y432-K434 HydrophobicContact CD1-CD 4.36Å; Y432-K434 HydrophobicContact CD1-CG 3.9Å; Y432-K434 HydrophobicContact CE1-CB 4.16Å; Y432-K434 HydrophobicContact CE1-CD 3.9Å; Y432-K434 HydrophobicContact CE1-CG 3.91Å; Y432-K434 HydrophobicContact CG-CG 4.42Å
433	P	96.8	Very high	94.6	Very high	56 Å²	56	65.5 Å²	65.5	36%	0.364	36%	0.359	S	S	.	.			cis	-73.8	152.3	10.5	26.1	-32.6	0	0	0	115.1	Q417 Y418 Y419	Q417-P433 HydrophobicContact CB-CB 4.05Å; Q417-P433 HydrophobicContact CG-CB 4.36Å; Y418-P433 VanDerWaalsContact O-CA 3.31Å; Y418-P433 WeakPolarHBondContact O-CA 3.44Å; Y419-P433 HydrophobicContact CD1-CB 3.88Å; Y419-P433 HydrophobicContact CD1-CG 4.41Å; Y419-P433 HydrophobicContact CE1-CB 3.53Å; Y419-P433 HydrophobicContact CE1-CG 3.75Å; Y419-P433 HydrophobicContact CE2-CB 4.27Å; Y419-P433 HydrophobicContact CG-CB 4.38Å
434	K	96.4	Very high	94.6	Very high	64 Å²	64	67.5 Å²	67.5	28%	0.278	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	152.7	170.1	-69.4	-168.5	-177.9	-168.5	0	110.1	Q417 Y418 D431 Y432	Q417-K434 CarbonylContact C-O 3.6Å; Q417-K434 WeakPolarHBondContact CA-O 3.38Å; Y418-K434 HydrophobicContact CD1-CB 4.12Å; Y418-K434 WeakPolarHBondContact CD1-O 3.32Å; Y418-K434 HydrophobicContact CE1-CB 3.42Å; Y418-K434 VanDerWaalsContact CE1-CB 3.42Å; Y418-K434 PolarHBondContact N-O 2.72Å; Y418-K434 PolarHBondContact O-N 3.04Å; D431-K434 WeakPolarHBondContact O-CE 3.48Å; D431-K434 VanDerWaalsContact O-CG 3.32Å; D431-K434 WeakPolarHBondContact O-CG 3.38Å; Y432-K434 HydrophobicContact CD1-CB 4.15Å; Y432-K434 HydrophobicContact CD1-CD 4.36Å; Y432-K434 HydrophobicContact CD1-CG 3.9Å; Y432-K434 HydrophobicContact CE1-CB 4.16Å; Y432-K434 HydrophobicContact CE1-CD 3.9Å; Y432-K434 HydrophobicContact CE1-CG 3.91Å; Y432-K434 HydrophobicContact CG-CG 4.42Å
435	P	96.7	Very high	94.6	Very high	64 Å²	64	63.2 Å²	63.2	42%	0.416	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	141.9	176.2	28.5	-34.4	0	0	0	110.6	T416 Y418 S437 K438	T416-P435 WeakPolarHBondContact O-CA 3.46Å; Y418-P435 WeakPolarHBondContact CE1-O 3.3Å; P435-S437 PolarHBondContact O-N 3.15Å; P435-K438 PolarHBondContact O-N 3.15Å; P435-K438 VanDerWaalsContact O-N 3.13Å
436	I	95	Very high	94.8	Very high	10 Å²	10	59.4 Å²	59.4	5%	0.051	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-60.6	-19.2	179.6	-163.8	164	0	0	0	112.8	F413 T416 K438 W439 P443 D444 I446	F413-I436 HydrophobicContact CD1-CD1 3.82Å; F413-I436 HydrophobicContact CD1-CG1 4.35Å; F413-I436 HydrophobicContact CE1-CD1 4.18Å; F413-I436 HydrophobicContact CE1-CG1 4.36Å; T416-I436 PolarHBondContact O-N 2.82Å; I436-K438 PolarHBondContact O-N 3.3Å; I436-W439 WeakPolarHBondContact O-CA 3.36Å; I436-W439 VanDerWaalsContact O-CB 3.29Å; I436-W439 WeakPolarHBondContact O-CB 3.35Å; I436-W439 PolarHBondContact O-N 2.88Å; I436-P443 VanDerWaalsContact CD1-O 3.24Å; I436-P443 WeakPolarHBondContact CD1-O 3.33Å; I436-D444 HydrophobicContact CG2-CB 4.09Å; I436-I446 HydrophobicContact CD1-CD1 4.37Å; I436-I446 HydrophobicContact CD1-CG2 4.32Å
437	S	92.8	Very high	94.8	Very high	86 Å²	86	58.8 Å²	58.8	60%	0.601	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-58.5	-15.8	173.8	60.3	0	0	0	0	114.6	P435 W439	P435-S437 PolarHBondContact O-N 3.15Å; S437-W439 PolarHBondContact O-N 2.94Å
438	K	94.3	Very high	94.9	Very high	132 Å²	132	52.7 Å²	52.7	57%	0.574	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-64.5	-26.4	168	-66.3	-62	-177.1	-176.4	0	112.8	Y418 P435 I436 S440	Y418-K438 HydrophobicContact CE1-CB 4.11Å; P435-K438 PolarHBondContact O-N 3.15Å; P435-K438 VanDerWaalsContact O-N 3.13Å; I436-K438 PolarHBondContact O-N 3.3Å; K438-S440 VanDerWaalsContact C-N 3.31Å; K438-S440 PolarHBondContact O-N 2.9Å
439	W	93.6	Very high	94.9	Very high	9 Å²	9	52 Å²	52	3%	0.034	30%	0.299	C	S	.	.	S	Bend	trans	-83.4	78.9	164.5	-59.2	85.2	0	0	0	108.1	L402 Y404 Y411 F413 Y418 I436 S437 G441 A442 T458 F460 F469	L402-W439 HydrophobicContact CD2-CH2 4.39Å; Y404-W439 HydrophobicContact CD2-CH2 4.42Å; Y404-W439 HydrophobicContact CE2-CH2 4.3Å; Y411-W439 AromaticContact CD1-CZ2 3.88Å; Y411-W439 HydrophobicContact CD1-CZ2 3.88Å; Y411-W439 HydrophobicContact CE1-CZ2 4.14Å; F413-W439 AromaticContact CE1-NE1 3.85Å; F413-W439 HydrophobicContact CZ-CZ2 4.13Å; Y418-W439 AromaticContact CD1-NE1 3.85Å; Y418-W439 AromaticContact CD2-NE1 3.69Å; Y418-W439 AromaticContact CE1-CD1 3.89Å; Y418-W439 AromaticContact CE1-NE1 3.74Å; Y418-W439 AromaticContact CE2-NE1 3.51Å; Y418-W439 AromaticContact CG-NE1 3.84Å; Y418-W439 AromaticContact CZ-NE1 3.58Å; I436-W439 WeakPolarHBondContact O-CA 3.36Å; I436-W439 VanDerWaalsContact O-CB 3.29Å; I436-W439 WeakPolarHBondContact O-CB 3.35Å; I436-W439 PolarHBondContact O-N 2.88Å; S437-W439 PolarHBondContact O-N 2.94Å; W439-G441 PolarHBondContact O-N 3.22Å; W439-G441 VanDerWaalsContact O-N 3.11Å; W439-A442 HydrophobicContact CB-CB 3.73Å; W439-A442 VanDerWaalsContact O-CB 3.25Å; W439-A442 WeakPolarHBondContact O-CB 3.39Å; W439-A442 PolarHBondContact O-N 2.8Å; W439-T458 HydrophobicContact CZ3-CG2 4.29Å; W439-F460 HydrophobicContact CB-CZ 4.29Å; W439-F460 HydrophobicContact CD2-CE2 4.49Å; W439-F460 AromaticContact CD2-CZ 3.75Å; W439-F460 HydrophobicContact CD2-CZ 3.75Å; W439-F460 AromaticContact CE3-CE2 3.96Å; W439-F460 HydrophobicContact CE3-CE2 3.96Å; W439-F460 AromaticContact CE3-CZ 3.51Å; W439-F460 HydrophobicContact CE3-CZ 3.51Å; W439-F460 HydrophobicContact CG-CZ 4.11Å; W439-F460 HydrophobicContact CZ3-CZ 4.03Å; W439-F469 HydrophobicContact CB-CD2 4.48Å; W439-F469 HydrophobicContact CB-CE2 4.09Å; W439-F469 HydrophobicContact CD2-CZ 4.49Å; W439-F469 AromaticContact CE3-CD1 3.71Å; W439-F469 HydrophobicContact CE3-CD1 3.71Å; W439-F469 HydrophobicContact CE3-CD2 4.32Å; W439-F469 AromaticContact CE3-CE1 3.47Å; W439-F469 HydrophobicContact CE3-CE1 3.47Å; W439-F469 VanDerWaalsContact CE3-CE1 3.47Å; W439-F469 HydrophobicContact CE3-CE2 4.13Å; W439-F469 HydrophobicContact CE3-CG 4.12Å; W439-F469 AromaticContact CE3-CZ 3.68Å; W439-F469 HydrophobicContact CE3-CZ 3.68Å; W439-F469 AromaticContact CZ3-CD1 3.89Å; W439-F469 HydrophobicContact CZ3-CD1 3.89Å; W439-F469 AromaticContact CZ3-CE1 3.73Å; W439-F469 HydrophobicContact CZ3-CE1 3.73Å; W439-F469 HydrophobicContact CZ3-CZ 4.36Å
440	S	95.4	Very high	94.9	Very high	54 Å²	54	49.3 Å²	49.3	38%	0.378	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-52.9	117.6	-170.4	-171.7	0	0	0	0	112.5	K438 K475 V476	K438-S440 VanDerWaalsContact C-N 3.31Å; K438-S440 PolarHBondContact O-N 2.9Å; S440-K475 CarbonylContact O-C 3.56Å; S440-K475 WeakPolarHBondContact O-CA 3.24Å; S440-V476 PolarHBondContact O-N 3.04Å
441	G	92.5	Very high	94.8	Very high	48 Å²	48	45.4 Å²	45.4	50%	0.495	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-7.2	-178.6	0	0	0	0	0	115.8	W439 W467 V476	W439-G441 PolarHBondContact O-N 3.22Å; W439-G441 VanDerWaalsContact O-N 3.11Å; G441-W467 VanDerWaalsContact O-CD1 3.31Å; G441-V476 WeakPolarHBondContact O-CG2 3.2Å
442	A	94.6	Very high	94.5	Very high	14 Å²	14	42 Å²	42	12%	0.116	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-72.4	143.1	173.2	0	0	0	0	0	110.6	W439 F460 V476	W439-A442 HydrophobicContact CB-CB 3.73Å; W439-A442 VanDerWaalsContact O-CB 3.25Å; W439-A442 WeakPolarHBondContact O-CB 3.39Å; W439-A442 PolarHBondContact O-N 2.8Å; A442-F460 HydrophobicContact CB-CD2 3.8Å; A442-F460 HydrophobicContact CB-CE2 3.85Å; A442-F460 HydrophobicContact CB-CG 4.16Å; A442-F460 HydrophobicContact CB-CZ 4.24Å; A442-V476 HydrophobicContact CB-CG2 4.48Å
443	P	94.8	Very high	94	Very high	18 Å²	18	50.5 Å²	50.5	12%	0.117	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-76.9	155.9	178.2	34.1	-36.6	0	0	0	111	I436 I446 K462 W467	I436-P443 VanDerWaalsContact CD1-O 3.24Å; I436-P443 WeakPolarHBondContact CD1-O 3.33Å; P443-I446 HydrophobicContact CG-CG2 3.92Å; P443-I446 VanDerWaalsContact O-CG2 3.24Å; P443-I446 WeakPolarHBondContact O-CG2 3.44Å; P443-K462 HydrophobicContact CB-CD 3.92Å; P443-K462 HydrophobicContact CG-CB 4.34Å; P443-K462 HydrophobicContact CG-CD 4.29Å; P443-W467 HydrophobicContact CB-CH2 4.21Å; P443-W467 HydrophobicContact CB-CZ2 3.98Å; P443-W467 HydrophobicContact CG-CD2 3.67Å; P443-W467 HydrophobicContact CG-CE3 3.6Å; P443-W467 HydrophobicContact CG-CG 4.36Å; P443-W467 HydrophobicContact CG-CH2 3.95Å; P443-W467 HydrophobicContact CG-CZ2 3.94Å; P443-W467 HydrophobicContact CG-CZ3 3.78Å
444	D	90.6	Very high	93.5	Very high	62 Å²	62	53.4 Å²	53.4	33%	0.332	29%	0.294	S	S	.	.	S	Bend	trans	-75.2	173.1	165.6	63.3	29.4	0	0	0	112.5	T416 I436 I446 K462	T416-D444 HydrophobicContact CG2-CB 4.06Å; I436-D444 HydrophobicContact CG2-CB 4.09Å; D444-I446 PolarHBondContact O-N 3.32Å; D444-K462 VanDerWaalsContact O-CD 3.27Å; D444-K462 WeakPolarHBondContact O-CD 3.35Å; D444-K462 VanDerWaalsContact O-CE 3.27Å; D444-K462 WeakPolarHBondContact O-CE 3.4Å; D444-K462 PolarHBondContact O-NZ 3.29Å; D444-K462 IonicContact OD1-NZ 3.42Å; D444-K462 PolarHBondContact OD1-NZ 3.12Å
445	N	92.2	Very high	93.1	Very high	78 Å²	78	50.8 Å²	50.8	42%	0.417	29%	0.285	S	S	.	.	S	Bend	trans	51	43.6	173.6	-57.8	-76.4	0	0	0	112.6	G415	G415-N445 WeakPolarHBondContact CA-OD1 3.19Å; G415-N445 PolarHBondContact O-N 2.67Å
446	I	95.8	Very high	92.8	Very high	3 Å²	3	49 Å²	49	2%	0.015	27%	0.274	C	S	.	.			trans	-66.9	150.9	177.8	60	172.5	0	0	0	110.8	A400 F413 I436 P443 D444 T449 F460	A400-I446 HydrophobicContact CB-CD1 3.82Å; A400-I446 HydrophobicContact CB-CG1 3.89Å; F413-I446 HydrophobicContact CB-CD1 3.81Å; F413-I446 HydrophobicContact CB-CG1 4.05Å; F413-I446 HydrophobicContact CD1-CD1 3.73Å; F413-I446 HydrophobicContact CD2-CD1 4.06Å; F413-I446 HydrophobicContact CE1-CD1 4.29Å; F413-I446 HydrophobicContact CG-CD1 3.6Å; F413-I446 HydrophobicContact CG-CG1 4.37Å; I436-I446 HydrophobicContact CD1-CD1 4.37Å; I436-I446 HydrophobicContact CD1-CG2 4.32Å; P443-I446 HydrophobicContact CG-CG2 3.92Å; P443-I446 VanDerWaalsContact O-CG2 3.24Å; P443-I446 WeakPolarHBondContact O-CG2 3.44Å; D444-I446 PolarHBondContact O-N 3.32Å; I446-T449 HydrophobicContact CD1-CG2 4.02Å; I446-F460 HydrophobicContact CD1-CD1 3.65Å; I446-F460 HydrophobicContact CD1-CE1 4.04Å; I446-F460 HydrophobicContact CG2-CB 4.27Å; I446-F460 HydrophobicContact CG2-CD1 4.19Å
447	K	95.5	Very high	92.9	Very high	90 Å²	90	51.4 Å²	51.4	39%	0.391	28%	0.283	S	S	.	.	S	Bend	trans	-100.8	-23.6	177.1	-73.8	-68	-168.2	163.5	0	113	T308 Y461	T308-K447 PolarHBondContact OG1-O 3.28Å; T308-K447 VanDerWaalsContact OG1-O 3.05Å; K447-Y461 HydrophobicContact CB-CD1 3.67Å; K447-Y461 HydrophobicContact CB-CE1 3.94Å; K447-Y461 PolarHBondContact N-O 3.31Å
448	A	97.3	Very high	93	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	156.7	175.5	0	0	0	0	0	111.4	I309 Y461	I309-A448 HydrophobicContact CB-CB 3.98Å; I309-A448 VanDerWaalsContact N-CB 3.3Å; I309-A448 VanDerWaalsContact O-CB 3.28Å; I309-A448 WeakPolarHBondContact O-CB 3.49Å; A448-Y461 HydrophobicContact CB-CD1 4.17Å; A448-Y461 PolarHBondContact O-N 2.91Å
449	T	97.4	Very high	93.2	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	140.3	169.1	175.3	0	0	0	0	110	A400 L402 F413 I446 T458 Y459	A400-T449 HydrophobicContact CB-CG2 3.86Å; L402-T449 HydrophobicContact CB-CG2 3.71Å; F413-T449 HydrophobicContact CD2-CG2 3.72Å; F413-T449 HydrophobicContact CE2-CG2 3.59Å; F413-T449 HydrophobicContact CZ-CG2 4.4Å; I446-T449 HydrophobicContact CD1-CG2 4.02Å; T449-T458 WeakPolarHBondContact OG1-CG2 3.5Å; T449-Y459 WeakPolarHBondContact CA-O 3.39Å; T449-Y459 PolarHBondContact OG1-O 3.2Å
450	F	95.1	Very high	93.4	Very high	14 Å²	14	42.5 Å²	42.5	6%	0.061	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	159.9	177.6	55.8	-94.1	0	0	0	110.3	I309 I311 Y459 W488	I309-F450 HydrophobicContact CB-CE1 4.13Å; I309-F450 HydrophobicContact CG2-CD1 4.19Å; I309-F450 HydrophobicContact CG2-CE1 3.63Å; I309-F450 HydrophobicContact CG2-CZ 4.34Å; I311-F450 HydrophobicContact CB-CB 4.47Å; I311-F450 HydrophobicContact CD1-CD2 3.93Å; I311-F450 HydrophobicContact CD1-CE2 4.19Å; I311-F450 HydrophobicContact CD1-CG 4.36Å; I311-F450 HydrophobicContact CG1-CB 3.67Å; I311-F450 HydrophobicContact CG1-CD2 3.54Å; I311-F450 HydrophobicContact CG1-CE2 4.3Å; I311-F450 HydrophobicContact CG1-CG 3.68Å; F450-Y459 HydrophobicContact CD2-CD2 4.01Å; F450-Y459 HydrophobicContact CD2-CG 4.48Å; F450-Y459 AromaticContact CE2-CD2 3.72Å; F450-Y459 HydrophobicContact CE2-CD2 3.72Å; F450-Y459 AromaticContact CE2-CG 3.97Å; F450-Y459 HydrophobicContact CE2-CG 3.97Å; F450-Y459 HydrophobicContact CZ-CG 4.43Å; F450-Y459 PolarHBondContact N-O 3.39Å; F450-Y459 VanDerWaalsContact N-O 3.13Å; F450-Y459 PolarHBondContact O-N 2.88Å; F450-W488 AromaticContact CE1-CH2 3.83Å; F450-W488 HydrophobicContact CE1-CH2 3.83Å; F450-W488 AromaticContact CE1-CZ3 3.83Å; F450-W488 HydrophobicContact CE1-CZ3 3.83Å; F450-W488 HydrophobicContact CE2-CH2 4.37Å; F450-W488 HydrophobicContact CZ-CE3 4.22Å; F450-W488 AromaticContact CZ-CH2 3.35Å; F450-W488 HydrophobicContact CZ-CH2 3.35Å; F450-W488 AromaticContact CZ-CZ2 3.82Å; F450-W488 HydrophobicContact CZ-CZ2 3.82Å; F450-W488 AromaticContact CZ-CZ3 3.58Å; F450-W488 HydrophobicContact CZ-CZ3 3.58Å
451	M	92.1	Very high	93.4	Very high	21 Å²	21	40 Å²	40	10%	0.103	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	156.8	179.6	-76	176.8	60.1	0	0	112	L402 Y404 P406 G455 Y457	L402-M451 HydrophobicContact CD1-CB 4.41Å; L402-M451 HydrophobicContact CD1-CG 3.68Å; L402-M451 HydrophobicContact CD1-SD 4.28Å; L402-M451 HydrophobicContact CD2-CG 4.38Å; L402-M451 HydrophobicContact CG-CG 4.49Å; Y404-M451 HydrophobicContact CD2-CE 4.3Å; Y404-M451 HydrophobicContact CD2-SD 3.38Å; Y404-M451 WeakPolarHBondContact CD2-SD 3.47Å; Y404-M451 HydrophobicContact CE2-CE 4.21Å; Y404-M451 HydrophobicContact CE2-SD 3.81Å; Y404-M451 HydrophobicContact CG-SD 4.1Å; P406-M451 HydrophobicContact CG-CE 4.02Å; M451-G455 WeakPolarHBondContact CE-O 3.36Å; M451-Y457 CarbonylContact C-O 3.45Å; M451-Y457 WeakPolarHBondContact CA-O 3.48Å
452	S	90.4	Very high	93.5	Very high	21 Å²	21	40.4 Å²	40.4	15%	0.147	20%	0.203	C	C	.	.			trans	-64.7	157.8	163	54.6	0	0	0	0	110.9	D454 G455 S456 Y457	S452-D454 VanDerWaalsContact C-N 3.28Å; S452-D454 WeakPolarHBondContact CB-OD1 3.4Å; S452-D454 PolarHBondContact O-N 2.87Å; S452-D454 PolarHBondContact OG-OD1 3.13Å; S452-G455 WeakPolarHBondContact O-CA 3.44Å; S452-G455 PolarHBondContact O-N 3.44Å; S452-S456 PolarHBondContact OG-N 3.29Å; S452-Y457 PolarHBondContact N-O 2.87Å; S452-Y457 PolarHBondContact OG-N 2.89Å; S452-Y457 PolarHBondContact OG-O 3.04Å
453	E	84	Confident	93.1	Very high	210 Å²	210	43 Å²	43	98%	0.981	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-38.8	-178.9	-172.6	175.7	-174.3	0	0	112.9	G455	E453-G455 VanDerWaalsContact C-N 3.25Å; E453-G455 PolarHBondContact O-N 3.06Å
454	D	86.6	Confident	93	Very high	118 Å²	118	42.6 Å²	42.6	63%	0.631	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.6	175	68	-12.9	0	0	0	113.7	S452 S456	S452-D454 VanDerWaalsContact C-N 3.28Å; S452-D454 WeakPolarHBondContact CB-OD1 3.4Å; S452-D454 PolarHBondContact O-N 2.87Å; S452-D454 PolarHBondContact OG-OD1 3.13Å; D454-S456 PolarHBondContact O-N 2.74Å; D454-S456 PolarHBondContact OD1-N 3.02Å; D454-S456 PolarHBondContact OD1-OG 3.2Å; D454-S456 VanDerWaalsContact OD2-CB 3.31Å; D454-S456 WeakPolarHBondContact OD2-CB 3.09Å; D454-S456 PolarHBondContact OD2-OG 2.92Å
455	G	87.6	Confident	93.1	Very high	9 Å²	9	44.9 Å²	44.9	9%	0.093	23%	0.229	C	C	.	.	S	Bend	trans	66.5	8.4	-176.8	0	0	0	0	0	115.7	M451 S452 E453 Y457 N471	M451-G455 WeakPolarHBondContact CE-O 3.36Å; S452-G455 WeakPolarHBondContact O-CA 3.44Å; S452-G455 PolarHBondContact O-N 3.44Å; E453-G455 VanDerWaalsContact C-N 3.25Å; E453-G455 PolarHBondContact O-N 3.06Å; G455-Y457 VanDerWaalsContact C-N 3.31Å; G455-Y457 PolarHBondContact O-N 2.61Å; G455-N471 PolarHBondContact O-ND2 2.93Å
456	S	92.1	Very high	93.3	Very high	26 Å²	26	41.8 Å²	41.8	18%	0.182	21%	0.211	C	C	.	.	S	Bend	trans	-71.6	-26.5	-178.9	64.4	0	0	0	0	113	S452 D454 N471	S452-S456 PolarHBondContact OG-N 3.29Å; D454-S456 PolarHBondContact O-N 2.74Å; D454-S456 PolarHBondContact OD1-N 3.02Å; D454-S456 PolarHBondContact OD1-OG 3.2Å; D454-S456 VanDerWaalsContact OD2-CB 3.31Å; D454-S456 WeakPolarHBondContact OD2-CB 3.09Å; D454-S456 PolarHBondContact OD2-OG 2.92Å; S456-N471 WeakPolarHBondContact O-CB 3.36Å; S456-N471 PolarHBondContact O-N 2.97Å
457	Y	95.3	Very high	93.4	Very high	61 Å²	61	43.3 Å²	43.3	24%	0.239	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.7	179.9	-58.4	-79.4	0	0	0	112.9	M451 S452 G455 K468 F469 N470 E477	M451-Y457 CarbonylContact C-O 3.45Å; M451-Y457 WeakPolarHBondContact CA-O 3.48Å; S452-Y457 PolarHBondContact N-O 2.87Å; S452-Y457 PolarHBondContact OG-N 2.89Å; S452-Y457 PolarHBondContact OG-O 3.04Å; G455-Y457 VanDerWaalsContact C-N 3.31Å; G455-Y457 PolarHBondContact O-N 2.61Å; Y457-K468 HydrophobicContact CD1-CD 4.06Å; Y457-K468 HydrophobicContact CD1-CG 3.72Å; Y457-K468 HydrophobicContact CE1-CD 4.36Å; Y457-K468 VanDerWaalsContact CE1-CE 3.43Å; Y457-K468 HydrophobicContact CE1-CG 4.4Å; Y457-K468 HydrophobicContact CG-CD 4.27Å; Y457-K468 HydrophobicContact CG-CG 4.02Å; Y457-F469 CarbonylContact C-O 3.44Å; Y457-F469 WeakPolarHBondContact CA-O 3.44Å; Y457-N470 HydrophobicContact CD1-CB 4.23Å; Y457-N470 HydrophobicContact CE1-CB 4.09Å; Y457-E477 HydrophobicContact CE1-CG 4.23Å
458	T	96.3	Very high	93.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.5	166.5	-58.5	0	0	0	0	109	L402 W439 T449 F460 F469 N471	L402-T458 HydrophobicContact CD2-CG2 3.76Å; W439-T458 HydrophobicContact CZ3-CG2 4.29Å; T449-T458 WeakPolarHBondContact OG1-CG2 3.5Å; T458-F460 HydrophobicContact CG2-CE1 4.4Å; T458-F460 HydrophobicContact CG2-CE2 3.93Å; T458-F460 HydrophobicContact CG2-CZ 3.84Å; T458-F469 PolarHBondContact N-O 2.92Å; T458-F469 WeakPolarHBondContact O-CA 3.41Å; T458-F469 VanDerWaalsContact O-CB 3.26Å; T458-F469 WeakPolarHBondContact O-CB 3.45Å; T458-F469 PolarHBondContact O-N 3.08Å; T458-N471 PolarHBondContact OG1-ND2 3.17Å; T458-N471 VanDerWaalsContact OG1-ND2 3.15Å; T458-N471 PolarHBondContact OG1-OD1 3.42Å
459	Y	97.1	Very high	93.5	Very high	39 Å²	39	41 Å²	41	15%	0.153	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.5	179.2	-62.8	-83.2	0	0	0	110.2	T449 F450 Y466 W467 K468 W488	T449-Y459 WeakPolarHBondContact CA-O 3.39Å; T449-Y459 PolarHBondContact OG1-O 3.2Å; F450-Y459 HydrophobicContact CD2-CD2 4.01Å; F450-Y459 HydrophobicContact CD2-CG 4.48Å; F450-Y459 AromaticContact CE2-CD2 3.72Å; F450-Y459 HydrophobicContact CE2-CD2 3.72Å; F450-Y459 AromaticContact CE2-CG 3.97Å; F450-Y459 HydrophobicContact CE2-CG 3.97Å; F450-Y459 HydrophobicContact CZ-CG 4.43Å; F450-Y459 PolarHBondContact N-O 3.39Å; F450-Y459 VanDerWaalsContact N-O 3.13Å; F450-Y459 PolarHBondContact O-N 2.88Å; Y459-Y466 AromaticContact CD1-CD2 3.83Å; Y459-Y466 HydrophobicContact CD1-CD2 3.83Å; Y459-Y466 HydrophobicContact CD1-CE2 4.01Å; Y459-Y466 HydrophobicContact CE1-CD2 4.41Å; Y459-Y466 HydrophobicContact CE1-CE2 4.12Å; Y459-W467 WeakPolarHBondContact CA-O 3.3Å; Y459-K468 HydrophobicContact CD1-CB 4.11Å; Y459-K468 HydrophobicContact CD1-CG 4.18Å; Y459-K468 HydrophobicContact CE1-CB 3.9Å; Y459-K468 HydrophobicContact CE1-CD 3.86Å; Y459-K468 HydrophobicContact CE1-CG 3.59Å; Y459-W488 AromaticContact CD1-CZ2 3.9Å; Y459-W488 HydrophobicContact CD1-CZ2 3.9Å; Y459-W488 HydrophobicContact CG-CZ2 4.15Å
460	F	97.8	Very high	93.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.5	174.1	-64.1	-81.2	0	0	0	110.1	F413 W439 A442 I446 T458 Y466 W467 F469	F413-F460 HydrophobicContact CE1-CE1 4.01Å; F413-F460 HydrophobicContact CZ-CE1 4.02Å; W439-F460 HydrophobicContact CB-CZ 4.29Å; W439-F460 HydrophobicContact CD2-CE2 4.49Å; W439-F460 AromaticContact CD2-CZ 3.75Å; W439-F460 HydrophobicContact CD2-CZ 3.75Å; W439-F460 AromaticContact CE3-CE2 3.96Å; W439-F460 HydrophobicContact CE3-CE2 3.96Å; W439-F460 AromaticContact CE3-CZ 3.51Å; W439-F460 HydrophobicContact CE3-CZ 3.51Å; W439-F460 HydrophobicContact CG-CZ 4.11Å; W439-F460 HydrophobicContact CZ3-CZ 4.03Å; A442-F460 HydrophobicContact CB-CD2 3.8Å; A442-F460 HydrophobicContact CB-CE2 3.85Å; A442-F460 HydrophobicContact CB-CG 4.16Å; A442-F460 HydrophobicContact CB-CZ 4.24Å; I446-F460 HydrophobicContact CD1-CD1 3.65Å; I446-F460 HydrophobicContact CD1-CE1 4.04Å; I446-F460 HydrophobicContact CG2-CB 4.27Å; I446-F460 HydrophobicContact CG2-CD1 4.19Å; T458-F460 HydrophobicContact CG2-CE1 4.4Å; T458-F460 HydrophobicContact CG2-CE2 3.93Å; T458-F460 HydrophobicContact CG2-CZ 3.84Å; F460-Y466 CarbonylContact O-C 3.57Å; F460-Y466 WeakPolarHBondContact O-CA 3.37Å; F460-Y466 WeakPolarHBondContact O-CB 3.38Å; F460-W467 HydrophobicContact CB-CB 4.32Å; F460-W467 PolarHBondContact N-O 2.8Å; F460-W467 PolarHBondContact O-N 3.48Å; F460-F469 HydrophobicContact CD2-CB 4.06Å; F460-F469 HydrophobicContact CE2-CB 3.64Å; F460-F469 HydrophobicContact CE2-CD2 4.36Å; F460-F469 HydrophobicContact CE2-CG 4.01Å
461	Y	96.8	Very high	93.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.7	179.1	172.8	-111.8	0	0	0	112	F306 I309 K447 A448 N464 K465 V484	F306-Y461 HydrophobicContact CB-CE1 4.05Å; F306-Y461 HydrophobicContact CD2-CE2 4.27Å; F306-Y461 AromaticContact CD2-CZ 3.83Å; F306-Y461 WeakPolarHBondContact CD2-OH 3.33Å; F306-Y461 PolarHBondContact N-OH 2.97Å; F306-Y461 VanDerWaalsContact N-OH 3.14Å; I309-Y461 HydrophobicContact CD1-CD1 3.98Å; I309-Y461 HydrophobicContact CD1-CD2 3.88Å; I309-Y461 HydrophobicContact CD1-CE1 4.24Å; I309-Y461 HydrophobicContact CD1-CE2 4.09Å; I309-Y461 HydrophobicContact CD1-CG 3.81Å; I309-Y461 HydrophobicContact CG1-CD1 4.29Å; K447-Y461 HydrophobicContact CB-CD1 3.67Å; K447-Y461 HydrophobicContact CB-CE1 3.94Å; K447-Y461 PolarHBondContact N-O 3.31Å; A448-Y461 HydrophobicContact CB-CD1 4.17Å; A448-Y461 PolarHBondContact O-N 2.91Å; Y461-N464 PolarHBondContact OH-OD1 3.37Å; Y461-K465 VanDerWaalsContact CD2-O 3.32Å; Y461-K465 WeakPolarHBondContact CD2-O 3.48Å; Y461-V484 HydrophobicContact CD2-CG2 3.66Å; Y461-V484 HydrophobicContact CE2-CB 4.23Å; Y461-V484 HydrophobicContact CE2-CG1 4.36Å; Y461-V484 HydrophobicContact CE2-CG2 3.85Å
462	K	93.5	Very high	93.2	Very high	57 Å²	57	47.8 Å²	47.8	25%	0.248	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	129.7	172.4	-175.9	-177.6	-172.5	173.7	0	110.4	P443 D444 N464 K465 W467	P443-K462 HydrophobicContact CB-CD 3.92Å; P443-K462 HydrophobicContact CG-CB 4.34Å; P443-K462 HydrophobicContact CG-CD 4.29Å; D444-K462 VanDerWaalsContact O-CD 3.27Å; D444-K462 WeakPolarHBondContact O-CD 3.35Å; D444-K462 VanDerWaalsContact O-CE 3.27Å; D444-K462 WeakPolarHBondContact O-CE 3.4Å; D444-K462 PolarHBondContact O-NZ 3.29Å; D444-K462 IonicContact OD1-NZ 3.42Å; D444-K462 PolarHBondContact OD1-NZ 3.12Å; K462-N464 PolarHBondContact O-N 3.34Å; K462-K465 PolarHBondContact N-O 3.22Å; K462-K465 WeakPolarHBondContact O-CA 3.39Å; K462-K465 WeakPolarHBondContact O-CB 3.31Å; K462-K465 PolarHBondContact O-N 2.96Å; K462-K465 VanDerWaalsContact O-O 3.09Å; K462-W467 HydrophobicContact CB-CH2 4.17Å; K462-W467 HydrophobicContact CB-CZ3 3.79Å
463	A	87.3	Confident	93.3	Very high	68 Å²	68	53.3 Å²	53.3	56%	0.562	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	56.5	170.3	0	0	0	0	0	114.2	K465	A463-K465 PolarHBondContact O-N 2.84Å
464	N	91.5	Very high	93.8	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.053	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	6.8	-178.9	-57.3	-28.2	0	0	0	115.8	H305 Y461 K462 V484	H305-N464 WeakPolarHBondContact CA-OD1 3.41Å; H305-N464 PolarHBondContact CD2-ND2 3.05Å; H305-N464 PolarHBondContact CE1-ND2 3.1Å; H305-N464 PolarHBondContact N-OD1 3.28Å; H305-N464 PolarHBondContact NE2-ND2 3.05Å; H305-N464 VanDerWaalsContact NE2-ND2 3.15Å; Y461-N464 PolarHBondContact OH-OD1 3.37Å; K462-N464 PolarHBondContact O-N 3.34Å; N464-V484 PolarHBondContact O-N 3.14Å
465	K	93.4	Very high	94.2	Very high	109 Å²	109	48.1 Å²	48.1	47%	0.474	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	153.5	177.6	-69.7	-176.6	-175.7	-175.7	0	110.8	Y461 K462 A463 W467 P481 K482	Y461-K465 VanDerWaalsContact CD2-O 3.32Å; Y461-K465 WeakPolarHBondContact CD2-O 3.48Å; K462-K465 PolarHBondContact N-O 3.22Å; K462-K465 WeakPolarHBondContact O-CA 3.39Å; K462-K465 WeakPolarHBondContact O-CB 3.31Å; K462-K465 PolarHBondContact O-N 2.96Å; K462-K465 VanDerWaalsContact O-O 3.09Å; A463-K465 PolarHBondContact O-N 2.84Å; K465-W467 HydrophobicContact CB-CH2 3.82Å; K465-W467 HydrophobicContact CB-CZ3 3.69Å; K465-P481 HydrophobicContact CB-CB 3.91Å; K465-P481 HydrophobicContact CD-CB 4.08Å; K465-P481 HydrophobicContact CD-CG 4.01Å; K465-P481 HydrophobicContact CG-CB 4.39Å; K465-K482 CarbonylContact C-O 3.55Å; K465-K482 VanDerWaalsContact CA-O 3.24Å; K465-K482 WeakPolarHBondContact CA-O 3.26Å
466	Y	96.6	Very high	94.6	Very high	13 Å²	13	48.5 Å²	48.5	5%	0.051	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.6	172.2	76.5	-78.8	0	0	0	112.7	Y459 F460 Y480 P481 K482 V484 D487 W488	Y459-Y466 AromaticContact CD1-CD2 3.83Å; Y459-Y466 HydrophobicContact CD1-CD2 3.83Å; Y459-Y466 HydrophobicContact CD1-CE2 4.01Å; Y459-Y466 HydrophobicContact CE1-CD2 4.41Å; Y459-Y466 HydrophobicContact CE1-CE2 4.12Å; F460-Y466 CarbonylContact O-C 3.57Å; F460-Y466 WeakPolarHBondContact O-CA 3.37Å; F460-Y466 WeakPolarHBondContact O-CB 3.38Å; Y466-Y480 HydrophobicContact CD2-CD1 4.3Å; Y466-Y480 AromaticContact CD2-CE1 3.94Å; Y466-Y480 HydrophobicContact CD2-CE1 3.94Å; Y466-Y480 HydrophobicContact CE2-CD1 4.1Å; Y466-Y480 AromaticContact CE2-CE1 3.31Å; Y466-Y480 HydrophobicContact CE2-CE1 3.31Å; Y466-Y480 AromaticContact CZ-CE1 3.64Å; Y466-Y480 WeakPolarHBondContact O-CD1 3.5Å; Y466-P481 WeakPolarHBondContact O-CA 3.45Å; Y466-K482 HydrophobicContact CD1-CB 4.13Å; Y466-K482 VanDerWaalsContact CD1-O 3.24Å; Y466-K482 WeakPolarHBondContact CD1-O 3.42Å; Y466-K482 HydrophobicContact CE1-CB 3.47Å; Y466-K482 VanDerWaalsContact CE1-CB 3.47Å; Y466-K482 PolarHBondContact N-O 3.03Å; Y466-K482 PolarHBondContact O-N 3.11Å; Y466-V484 HydrophobicContact CD1-CG2 3.63Å; Y466-V484 HydrophobicContact CG-CG2 4.03Å; Y466-D487 HydrophobicContact CE1-CB 3.79Å; Y466-D487 WeakPolarHBondContact CE1-OD2 3.44Å; Y466-D487 PolarHBondContact OH-OD2 3.18Å; Y466-W488 AromaticContact CD1-CE2 3.97Å; Y466-W488 HydrophobicContact CD1-CH2 4.36Å; Y466-W488 AromaticContact CD1-CZ2 3.92Å; Y466-W488 HydrophobicContact CD1-CZ2 3.92Å; Y466-W488 AromaticContact CD2-CE2 3.84Å; Y466-W488 AromaticContact CD2-CH2 3.88Å; Y466-W488 HydrophobicContact CD2-CH2 3.88Å; Y466-W488 AromaticContact CD2-CZ2 3.19Å; Y466-W488 HydrophobicContact CD2-CZ2 3.19Å; Y466-W488 HydrophobicContact CE1-CZ2 4.4Å; Y466-W488 AromaticContact CE1-NE1 3.99Å; Y466-W488 AromaticContact CE2-CE2 3.95Å; Y466-W488 AromaticContact CE2-CZ2 3.7Å; Y466-W488 HydrophobicContact CE2-CZ2 3.7Å; Y466-W488 AromaticContact CE2-NE1 3.81Å; Y466-W488 AromaticContact CG-CE2 3.82Å; Y466-W488 AromaticContact CG-CH2 3.63Å; Y466-W488 HydrophobicContact CG-CH2 3.63Å; Y466-W488 AromaticContact CG-CZ2 3.29Å; Y466-W488 HydrophobicContact CG-CZ2 3.29Å; Y466-W488 HydrophobicContact CG-CZ3 4.44Å; Y466-W488 AromaticContact CZ-NE1 3.75Å
467	W	97.6	Very high	94.9	Very high	35 Å²	35	50.1 Å²	50.1	13%	0.133	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.4	176.2	-67.8	-115.7	0	0	0	108.3	G441 P443 Y459 F460 K462 K465 V476 P481	G441-W467 VanDerWaalsContact O-CD1 3.31Å; P443-W467 HydrophobicContact CB-CH2 4.21Å; P443-W467 HydrophobicContact CB-CZ2 3.98Å; P443-W467 HydrophobicContact CG-CD2 3.67Å; P443-W467 HydrophobicContact CG-CE3 3.6Å; P443-W467 HydrophobicContact CG-CG 4.36Å; P443-W467 HydrophobicContact CG-CH2 3.95Å; P443-W467 HydrophobicContact CG-CZ2 3.94Å; P443-W467 HydrophobicContact CG-CZ3 3.78Å; Y459-W467 WeakPolarHBondContact CA-O 3.3Å; F460-W467 HydrophobicContact CB-CB 4.32Å; F460-W467 PolarHBondContact N-O 2.8Å; F460-W467 PolarHBondContact O-N 3.48Å; K462-W467 HydrophobicContact CB-CH2 4.17Å; K462-W467 HydrophobicContact CB-CZ3 3.79Å; K465-W467 HydrophobicContact CB-CH2 3.82Å; K465-W467 HydrophobicContact CB-CZ3 3.69Å; W467-V476 HydrophobicContact CB-CG1 4.07Å; W467-V476 HydrophobicContact CB-CG2 4.11Å; W467-V476 HydrophobicContact CG-CG1 4.45Å; W467-P481 HydrophobicContact CD2-CB 3.79Å; W467-P481 HydrophobicContact CE3-CB 4.15Å; W467-P481 HydrophobicContact CG-CB 4.37Å; W467-P481 HydrophobicContact CH2-CB 3.95Å; W467-P481 HydrophobicContact CH2-CG 4.25Å; W467-P481 HydrophobicContact CZ2-CB 3.61Å; W467-P481 HydrophobicContact CZ2-CG 3.62Å; W467-P481 HydrophobicContact CZ3-CB 4.2Å
468	K	97.6	Very high	94.8	Very high	42 Å²	42	52.5 Å²	52.5	18%	0.183	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	109.4	174.8	-175.8	176	-177.8	-180	0	109.2	Y457 Y459 V476 E477 Y480	Y457-K468 HydrophobicContact CD1-CD 4.06Å; Y457-K468 HydrophobicContact CD1-CG 3.72Å; Y457-K468 HydrophobicContact CE1-CD 4.36Å; Y457-K468 VanDerWaalsContact CE1-CE 3.43Å; Y457-K468 HydrophobicContact CE1-CG 4.4Å; Y457-K468 HydrophobicContact CG-CD 4.27Å; Y457-K468 HydrophobicContact CG-CG 4.02Å; Y459-K468 HydrophobicContact CD1-CB 4.11Å; Y459-K468 HydrophobicContact CD1-CG 4.18Å; Y459-K468 HydrophobicContact CE1-CB 3.9Å; Y459-K468 HydrophobicContact CE1-CD 3.86Å; Y459-K468 HydrophobicContact CE1-CG 3.59Å; K468-V476 WeakPolarHBondContact O-CA 3.21Å; K468-E477 HydrophobicContact CG-CG 4.46Å; K468-E477 PolarHBondContact O-N 2.96Å; K468-Y480 HydrophobicContact CB-CD1 3.97Å; K468-Y480 HydrophobicContact CB-CD2 3.96Å; K468-Y480 HydrophobicContact CB-CE1 3.57Å; K468-Y480 HydrophobicContact CB-CE2 3.54Å; K468-Y480 HydrophobicContact CB-CG 4.15Å; K468-Y480 HydrophobicContact CD-CE2 4.06Å; K468-Y480 VanDerWaalsContact CD-OH 3.32Å; K468-Y480 WeakPolarHBondContact CD-OH 3.39Å; K468-Y480 HydrophobicContact CG-CE2 4.36Å
469	F	97.1	Very high	94.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.1	179	-176.9	-89.7	0	0	0	110.5	W439 Y457 T458 F460 N471 M474 V476	W439-F469 HydrophobicContact CB-CD2 4.48Å; W439-F469 HydrophobicContact CB-CE2 4.09Å; W439-F469 HydrophobicContact CD2-CZ 4.49Å; W439-F469 AromaticContact CE3-CD1 3.71Å; W439-F469 HydrophobicContact CE3-CD1 3.71Å; W439-F469 HydrophobicContact CE3-CD2 4.32Å; W439-F469 AromaticContact CE3-CE1 3.47Å; W439-F469 HydrophobicContact CE3-CE1 3.47Å; W439-F469 VanDerWaalsContact CE3-CE1 3.47Å; W439-F469 HydrophobicContact CE3-CE2 4.13Å; W439-F469 HydrophobicContact CE3-CG 4.12Å; W439-F469 AromaticContact CE3-CZ 3.68Å; W439-F469 HydrophobicContact CE3-CZ 3.68Å; W439-F469 AromaticContact CZ3-CD1 3.89Å; W439-F469 HydrophobicContact CZ3-CD1 3.89Å; W439-F469 AromaticContact CZ3-CE1 3.73Å; W439-F469 HydrophobicContact CZ3-CE1 3.73Å; W439-F469 HydrophobicContact CZ3-CZ 4.36Å; Y457-F469 CarbonylContact C-O 3.44Å; Y457-F469 WeakPolarHBondContact CA-O 3.44Å; T458-F469 PolarHBondContact N-O 2.92Å; T458-F469 WeakPolarHBondContact O-CA 3.41Å; T458-F469 VanDerWaalsContact O-CB 3.26Å; T458-F469 WeakPolarHBondContact O-CB 3.45Å; T458-F469 PolarHBondContact O-N 3.08Å; F460-F469 HydrophobicContact CD2-CB 4.06Å; F460-F469 HydrophobicContact CE2-CB 3.64Å; F460-F469 HydrophobicContact CE2-CD2 4.36Å; F460-F469 HydrophobicContact CE2-CG 4.01Å; F469-N471 WeakPolarHBondContact CD1-OD1 3.44Å; F469-M474 HydrophobicContact CE1-CE 4.27Å; F469-M474 HydrophobicContact CE1-SD 3.91Å; F469-M474 HydrophobicContact CZ-CB 4.16Å; F469-M474 HydrophobicContact CZ-CE 3.98Å; F469-M474 HydrophobicContact CZ-SD 4.03Å; F469-V476 HydrophobicContact CB-CG2 4.27Å; F469-V476 HydrophobicContact CD2-CG2 3.94Å
470	N	95.8	Very high	94.4	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	115.1	176.7	-172	-45.8	0	0	0	109.5	Y457 Q472 H473 M474 K475 E477	Y457-N470 HydrophobicContact CD1-CB 4.23Å; Y457-N470 HydrophobicContact CE1-CB 4.09Å; N470-Q472 PolarHBondContact O-N 2.93Å; N470-Q472 WeakPolarHBondContact OD1-CB 3.2Å; N470-Q472 PolarHBondContact OD1-N 2.8Å; N470-H473 HydrophobicContact CB-CB 4.2Å; N470-H473 PolarHBondContact ND2-ND1 3.38Å; N470-H473 PolarHBondContact OD1-N 3.2Å; N470-M474 WeakPolarHBondContact O-CA 3.33Å; N470-M474 PolarHBondContact O-N 3.47Å; N470-K475 PolarHBondContact N-O 3Å; N470-K475 PolarHBondContact O-N 2.81Å; N470-E477 HydrophobicContact CB-CG 4.38Å; N470-E477 WeakPolarHBondContact CB-OE1 3.26Å; N470-E477 PolarHBondContact ND2-OE1 3.33Å
471	N	91.9	Very high	94.2	Very high	17 Å²	17	58.4 Å²	58.4	9%	0.091	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.3	-175.9	-68.8	-27.8	0	0	0	112.8	G455 S456 T458 F469 M474	G455-N471 PolarHBondContact O-ND2 2.93Å; S456-N471 WeakPolarHBondContact O-CB 3.36Å; S456-N471 PolarHBondContact O-N 2.97Å; T458-N471 PolarHBondContact OG1-ND2 3.17Å; T458-N471 VanDerWaalsContact OG1-ND2 3.15Å; T458-N471 PolarHBondContact OG1-OD1 3.42Å; F469-N471 WeakPolarHBondContact CD1-OD1 3.44Å; N471-M474 VanDerWaalsContact O-SD 3.41Å
472	Q	91.2	Very high	94.1	Very high	159 Å²	159	61.9 Å²	61.9	74%	0.743	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-47.6	175.9	-64.2	-178.6	-16.5	0	0	111.5	N470 M474	N470-Q472 PolarHBondContact O-N 2.93Å; N470-Q472 WeakPolarHBondContact OD1-CB 3.2Å; N470-Q472 PolarHBondContact OD1-N 2.8Å; Q472-M474 VanDerWaalsContact C-N 3.28Å; Q472-M474 PolarHBondContact O-N 3.03Å
473	H	93.1	Very high	94.1	Very high	137 Å²	137	59.5 Å²	59.5	63%	0.634	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-7	179.5	-60.7	127.3	0	0	0	113.6	N470 K475	N470-H473 HydrophobicContact CB-CB 4.2Å; N470-H473 PolarHBondContact ND2-ND1 3.38Å; N470-H473 PolarHBondContact OD1-N 3.2Å; H473-K475 PolarHBondContact O-N 2.99Å
474	M	93.3	Very high	94.3	Very high	93 Å²	93	56.3 Å²	56.3	46%	0.458	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	40.3	-179.5	-67	-62.9	-65.8	0	0	113.6	F469 N470 N471 Q472	F469-M474 HydrophobicContact CE1-CE 4.27Å; F469-M474 HydrophobicContact CE1-SD 3.91Å; F469-M474 HydrophobicContact CZ-CB 4.16Å; F469-M474 HydrophobicContact CZ-CE 3.98Å; F469-M474 HydrophobicContact CZ-SD 4.03Å; N470-M474 WeakPolarHBondContact O-CA 3.33Å; N470-M474 PolarHBondContact O-N 3.47Å; N471-M474 VanDerWaalsContact O-SD 3.41Å; Q472-M474 VanDerWaalsContact C-N 3.28Å; Q472-M474 PolarHBondContact O-N 3.03Å
475	K	95.1	Very high	94.2	Very high	126 Å²	126	55.8 Å²	55.8	55%	0.548	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	150.6	-179.4	-168.5	179.8	173.3	-177.2	0	111.4	S440 N470 H473	S440-K475 CarbonylContact O-C 3.56Å; S440-K475 WeakPolarHBondContact O-CA 3.24Å; N470-K475 PolarHBondContact N-O 3Å; N470-K475 PolarHBondContact O-N 2.81Å; H473-K475 PolarHBondContact O-N 2.99Å
476	V	96.9	Very high	94	Very high	17 Å²	17	55.6 Å²	55.6	10%	0.103	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	132.9	167.1	175.8	0	0	0	0	110.9	S440 G441 A442 W467 K468 F469 Y480	S440-V476 PolarHBondContact O-N 3.04Å; G441-V476 WeakPolarHBondContact O-CG2 3.2Å; A442-V476 HydrophobicContact CB-CG2 4.48Å; W467-V476 HydrophobicContact CB-CG1 4.07Å; W467-V476 HydrophobicContact CB-CG2 4.11Å; W467-V476 HydrophobicContact CG-CG1 4.45Å; K468-V476 WeakPolarHBondContact O-CA 3.21Å; F469-V476 HydrophobicContact CB-CG2 4.27Å; F469-V476 HydrophobicContact CD2-CG2 3.94Å; V476-Y480 HydrophobicContact CG1-CG 4.46Å
477	E	97.5	Very high	93.7	Very high	61 Å²	61	57 Å²	57	29%	0.285	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-59.7	149.8	176.8	-75.2	-65.9	157.2	0	0	112	Y457 K468 N470 Y480	Y457-E477 HydrophobicContact CE1-CG 4.23Å; K468-E477 HydrophobicContact CG-CG 4.46Å; K468-E477 PolarHBondContact O-N 2.96Å; N470-E477 HydrophobicContact CB-CG 4.38Å; N470-E477 WeakPolarHBondContact CB-OE1 3.26Å; N470-E477 PolarHBondContact ND2-OE1 3.33Å; E477-Y480 HydrophobicContact CB-CD2 3.66Å; E477-Y480 HydrophobicContact CB-CE2 3.76Å; E477-Y480 WeakPolarHBondContact O-CD2 3.45Å
478	S	93.6	Very high	93.2	Very high	111 Å²	111	56 Å²	56	78%	0.776	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	143.9	174.1	54.3	0	0	0	0	111.3
479	G	90.6	Very high	92.8	Very high	59 Å²	59	54.3 Å²	54.3	61%	0.608	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	12.8	-179.3	0	0	0	0	0	114.8	K482	G479-K482 WeakPolarHBondContact O-CE 3.24Å; G479-K482 WeakPolarHBondContact O-CG 3.45Å
480	Y	93.8	Very high	92.2	Very high	47 Å²	47	57.1 Å²	57.1	18%	0.184	31%	0.31	C	S	.	.			trans	-109	150.4	170.2	-72.4	-85.1	0	0	0	110.9	Y466 K468 V476 E477 K482	Y466-Y480 HydrophobicContact CD2-CD1 4.3Å; Y466-Y480 AromaticContact CD2-CE1 3.94Å; Y466-Y480 HydrophobicContact CD2-CE1 3.94Å; Y466-Y480 HydrophobicContact CE2-CD1 4.1Å; Y466-Y480 AromaticContact CE2-CE1 3.31Å; Y466-Y480 HydrophobicContact CE2-CE1 3.31Å; Y466-Y480 AromaticContact CZ-CE1 3.64Å; Y466-Y480 WeakPolarHBondContact O-CD1 3.5Å; K468-Y480 HydrophobicContact CB-CD1 3.97Å; K468-Y480 HydrophobicContact CB-CD2 3.96Å; K468-Y480 HydrophobicContact CB-CE1 3.57Å; K468-Y480 HydrophobicContact CB-CE2 3.54Å; K468-Y480 HydrophobicContact CB-CG 4.15Å; K468-Y480 HydrophobicContact CD-CE2 4.06Å; K468-Y480 VanDerWaalsContact CD-OH 3.32Å; K468-Y480 WeakPolarHBondContact CD-OH 3.39Å; K468-Y480 HydrophobicContact CG-CE2 4.36Å; V476-Y480 HydrophobicContact CG1-CG 4.46Å; E477-Y480 HydrophobicContact CB-CD2 3.66Å; E477-Y480 HydrophobicContact CB-CE2 3.76Å; E477-Y480 WeakPolarHBondContact O-CD2 3.45Å; Y480-K482 HydrophobicContact CD1-CB 4.17Å; Y480-K482 HydrophobicContact CD1-CD 4.24Å; Y480-K482 HydrophobicContact CD1-CG 3.85Å; Y480-K482 HydrophobicContact CE1-CB 4.12Å; Y480-K482 HydrophobicContact CE1-CD 3.7Å; Y480-K482 HydrophobicContact CE1-CG 3.81Å
481	P	95.1	Very high	91.7	Very high	56 Å²	56	57.2 Å²	57.2	36%	0.364	31%	0.312	S	S	.	.			cis	-74.8	154.6	7.6	25.6	-31.8	0	0	0	115.6	K465 Y466 W467	K465-P481 HydrophobicContact CB-CB 3.91Å; K465-P481 HydrophobicContact CD-CB 4.08Å; K465-P481 HydrophobicContact CD-CG 4.01Å; K465-P481 HydrophobicContact CG-CB 4.39Å; Y466-P481 WeakPolarHBondContact O-CA 3.45Å; W467-P481 HydrophobicContact CD2-CB 3.79Å; W467-P481 HydrophobicContact CE3-CB 4.15Å; W467-P481 HydrophobicContact CG-CB 4.37Å; W467-P481 HydrophobicContact CH2-CB 3.95Å; W467-P481 HydrophobicContact CH2-CG 4.25Å; W467-P481 HydrophobicContact CZ2-CB 3.61Å; W467-P481 HydrophobicContact CZ2-CG 3.62Å; W467-P481 HydrophobicContact CZ3-CB 4.2Å
482	K	93.2	Very high	91.2	Very high	76 Å²	76	64.7 Å²	64.7	33%	0.33	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	162.9	170.8	-66.8	-173.4	-177.5	-179.1	0	111.6	K465 Y466 G479 Y480 D487	K465-K482 CarbonylContact C-O 3.55Å; K465-K482 VanDerWaalsContact CA-O 3.24Å; K465-K482 WeakPolarHBondContact CA-O 3.26Å; Y466-K482 HydrophobicContact CD1-CB 4.13Å; Y466-K482 VanDerWaalsContact CD1-O 3.24Å; Y466-K482 WeakPolarHBondContact CD1-O 3.42Å; Y466-K482 HydrophobicContact CE1-CB 3.47Å; Y466-K482 VanDerWaalsContact CE1-CB 3.47Å; Y466-K482 PolarHBondContact N-O 3.03Å; Y466-K482 PolarHBondContact O-N 3.11Å; G479-K482 WeakPolarHBondContact O-CE 3.24Å; G479-K482 WeakPolarHBondContact O-CG 3.45Å; Y480-K482 HydrophobicContact CD1-CB 4.17Å; Y480-K482 HydrophobicContact CD1-CD 4.24Å; Y480-K482 HydrophobicContact CD1-CG 3.85Å; Y480-K482 HydrophobicContact CE1-CB 4.12Å; Y480-K482 HydrophobicContact CE1-CD 3.7Å; Y480-K482 HydrophobicContact CE1-CG 3.81Å; K482-D487 WeakPolarHBondContact CB-OD2 3.34Å; K482-D487 WeakPolarHBondContact CD-OD2 3.08Å
483	S	93.3	Very high	90.6	Very high	7 Å²	7	59.8 Å²	59.8	5%	0.049	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	126.3	179.5	-179.7	0	0	0	0	111.4	L485 D487 E494	S483-L485 VanDerWaalsContact C-N 3.3Å; S483-L485 PolarHBondContact OG-N 2.75Å; S483-D487 VanDerWaalsContact O-CB 3.31Å; S483-D487 WeakPolarHBondContact O-CB 3.32Å; S483-D487 PolarHBondContact O-N 3.4Å; S483-D487 VanDerWaalsContact O-N 3.12Å; S483-E494 WeakPolarHBondContact OG-CA 3.47Å; S483-E494 PolarHBondContact OG-O 3.32Å
484	V	92.3	Very high	89.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-67.2	-33.7	172.5	166.3	0	0	0	0	111.5	F306 I309 Y461 N464 Y466 W488 M489	F306-V484 HydrophobicContact CD2-CG1 4.46Å; F306-V484 HydrophobicContact CE2-CG1 3.97Å; I309-V484 HydrophobicContact CD1-CG1 4.35Å; Y461-V484 HydrophobicContact CD2-CG2 3.66Å; Y461-V484 HydrophobicContact CE2-CB 4.23Å; Y461-V484 HydrophobicContact CE2-CG1 4.36Å; Y461-V484 HydrophobicContact CE2-CG2 3.85Å; N464-V484 PolarHBondContact O-N 3.14Å; Y466-V484 HydrophobicContact CD1-CG2 3.63Å; Y466-V484 HydrophobicContact CG-CG2 4.03Å; V484-W488 HydrophobicContact CB-CD2 4.48Å; V484-W488 HydrophobicContact CB-CE3 4.06Å; V484-W488 HydrophobicContact CB-CZ3 4.5Å; V484-W488 HydrophobicContact CG1-CB 4.17Å; V484-W488 HydrophobicContact CG1-CD2 4.09Å; V484-W488 HydrophobicContact CG1-CE3 3.46Å; V484-W488 VanDerWaalsContact CG1-CE3 3.46Å; V484-W488 HydrophobicContact CG1-CG 4.43Å; V484-W488 HydrophobicContact CG1-CZ3 4.15Å; V484-W488 HydrophobicContact CG2-CD2 4.09Å; V484-W488 HydrophobicContact CG2-CE3 3.56Å; V484-W488 HydrophobicContact CG2-CH2 4.16Å; V484-W488 HydrophobicContact CG2-CZ3 3.56Å; V484-W488 WeakPolarHBondContact O-CA 3.36Å; V484-W488 WeakPolarHBondContact O-CB 3.45Å; V484-W488 PolarHBondContact O-N 3.05Å; V484-M489 HydrophobicContact CG1-CE 3.34Å; V484-M489 HydrophobicContact CG1-CG 4.09Å; V484-M489 PolarHBondContact O-N 3.23Å; V484-M489 VanDerWaalsContact O-N 3.1Å
485	L	90.5	Very high	89	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-65.3	-46.2	-175.6	-59	-179.9	0	0	0	111.2	F306 S483 M489 G490 C491 P496	F306-L485 HydrophobicContact CE2-CD2 4.07Å; F306-L485 HydrophobicContact CZ-CD2 4.01Å; S483-L485 VanDerWaalsContact C-N 3.3Å; S483-L485 PolarHBondContact OG-N 2.75Å; L485-M489 HydrophobicContact CD2-CG 4.3Å; L485-M489 CarbonylContact O-C 3.46Å; L485-M489 WeakPolarHBondContact O-CA 3.44Å; L485-M489 WeakPolarHBondContact O-CB 3.28Å; L485-M489 PolarHBondContact O-N 3.47Å; L485-G490 PolarHBondContact O-N 2.99Å; L485-C491 HydrophobicContact CB-CB 4.13Å; L485-C491 VanDerWaalsContact O-CB 3.3Å; L485-C491 WeakPolarHBondContact O-CB 3.45Å; L485-C491 PolarHBondContact O-N 2.64Å; L485-C491 PolarHBondContact O-SG 2.87Å; L485-P496 HydrophobicContact CD1-CB 3.92Å
486	R	89.2	Confident	87.9	Confident	104 Å²	104	56 Å²	56	39%	0.392	32%	0.322	S	S	.	.	H	α-helix	trans	-72	-52.8	176.1	-171.9	-173.3	64.4	-144.9	-15.6	112.1	C491 E494	R486-C491 WeakPolarHBondContact CA-O 3.3Å; R486-E494 HydrophobicContact CB-CG 4.48Å; R486-E494 IonicContact CZ-OE1 2.92Å; R486-E494 VanDerWaalsContact NH1-CD 3.28Å; R486-E494 IonicContact NH1-OE1 2.84Å; R486-E494 PolarHBondContact NH1-OE1 2.89Å; R486-E494 IonicContact NH2-OE1 3.68Å; R486-E494 PolarHBondContact NH2-OE1 3.21Å
487	D	88.3	Confident	86.4	Confident	43 Å²	43	60.8 Å²	60.8	23%	0.23	34%	0.341	C	S	.	.	H	α-helix	trans	-80	-28.6	-166.3	-65.2	10.1	0	0	0	113.1	Y466 K482 S483	Y466-D487 HydrophobicContact CE1-CB 3.79Å; Y466-D487 WeakPolarHBondContact CE1-OD2 3.44Å; Y466-D487 PolarHBondContact OH-OD2 3.18Å; K482-D487 WeakPolarHBondContact CB-OD2 3.34Å; K482-D487 WeakPolarHBondContact CD-OD2 3.08Å; S483-D487 VanDerWaalsContact O-CB 3.31Å; S483-D487 WeakPolarHBondContact O-CB 3.32Å; S483-D487 PolarHBondContact O-N 3.4Å; S483-D487 VanDerWaalsContact O-N 3.12Å
488	W	89.1	Confident	84.1	Confident	13 Å²	13	65.2 Å²	65.2	5%	0.049	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-32.5	-177.8	-61.8	-13.1	0	0	0	114.2	I309 L327 D330 F450 Y459 Y466 V484	I309-W488 HydrophobicContact CD1-CE3 4.12Å; I309-W488 HydrophobicContact CD1-CZ3 3.86Å; L327-W488 WeakPolarHBondContact CD2-O 3.38Å; D330-W488 CarbonylContact C-O 3.51Å; D330-W488 WeakPolarHBondContact CA-O 3.48Å; F450-W488 AromaticContact CE1-CH2 3.83Å; F450-W488 HydrophobicContact CE1-CH2 3.83Å; F450-W488 AromaticContact CE1-CZ3 3.83Å; F450-W488 HydrophobicContact CE1-CZ3 3.83Å; F450-W488 HydrophobicContact CE2-CH2 4.37Å; F450-W488 HydrophobicContact CZ-CE3 4.22Å; F450-W488 AromaticContact CZ-CH2 3.35Å; F450-W488 HydrophobicContact CZ-CH2 3.35Å; F450-W488 AromaticContact CZ-CZ2 3.82Å; F450-W488 HydrophobicContact CZ-CZ2 3.82Å; F450-W488 AromaticContact CZ-CZ3 3.58Å; F450-W488 HydrophobicContact CZ-CZ3 3.58Å; Y459-W488 AromaticContact CD1-CZ2 3.9Å; Y459-W488 HydrophobicContact CD1-CZ2 3.9Å; Y459-W488 HydrophobicContact CG-CZ2 4.15Å; Y466-W488 AromaticContact CD1-CE2 3.97Å; Y466-W488 HydrophobicContact CD1-CH2 4.36Å; Y466-W488 AromaticContact CD1-CZ2 3.92Å; Y466-W488 HydrophobicContact CD1-CZ2 3.92Å; Y466-W488 AromaticContact CD2-CE2 3.84Å; Y466-W488 AromaticContact CD2-CH2 3.88Å; Y466-W488 HydrophobicContact CD2-CH2 3.88Å; Y466-W488 AromaticContact CD2-CZ2 3.19Å; Y466-W488 HydrophobicContact CD2-CZ2 3.19Å; Y466-W488 HydrophobicContact CE1-CZ2 4.4Å; Y466-W488 AromaticContact CE1-NE1 3.99Å; Y466-W488 AromaticContact CE2-CE2 3.95Å; Y466-W488 AromaticContact CE2-CZ2 3.7Å; Y466-W488 HydrophobicContact CE2-CZ2 3.7Å; Y466-W488 AromaticContact CE2-NE1 3.81Å; Y466-W488 AromaticContact CG-CE2 3.82Å; Y466-W488 AromaticContact CG-CH2 3.63Å; Y466-W488 HydrophobicContact CG-CH2 3.63Å; Y466-W488 AromaticContact CG-CZ2 3.29Å; Y466-W488 HydrophobicContact CG-CZ2 3.29Å; Y466-W488 HydrophobicContact CG-CZ3 4.44Å; Y466-W488 AromaticContact CZ-NE1 3.75Å; V484-W488 HydrophobicContact CB-CD2 4.48Å; V484-W488 HydrophobicContact CB-CE3 4.06Å; V484-W488 HydrophobicContact CB-CZ3 4.5Å; V484-W488 HydrophobicContact CG1-CB 4.17Å; V484-W488 HydrophobicContact CG1-CD2 4.09Å; V484-W488 HydrophobicContact CG1-CE3 3.46Å; V484-W488 VanDerWaalsContact CG1-CE3 3.46Å; V484-W488 HydrophobicContact CG1-CG 4.43Å; V484-W488 HydrophobicContact CG1-CZ3 4.15Å; V484-W488 HydrophobicContact CG2-CD2 4.09Å; V484-W488 HydrophobicContact CG2-CE3 3.56Å; V484-W488 HydrophobicContact CG2-CH2 4.16Å; V484-W488 HydrophobicContact CG2-CZ3 3.56Å; V484-W488 WeakPolarHBondContact O-CA 3.36Å; V484-W488 WeakPolarHBondContact O-CB 3.45Å; V484-W488 PolarHBondContact O-N 3.05Å
489	M	88.6	Confident	81.8	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.039	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-5.2	-173.8	-48.9	-59	155.9	0	0	113.1	I301 F306 I309 V318 L327 V484 L485 C491	I301-M489 HydrophobicContact CD1-CB 4.2Å; I301-M489 HydrophobicContact CD1-CG 4.19Å; I301-M489 HydrophobicContact CD1-SD 3.43Å; I301-M489 WeakPolarHBondContact CD1-SD 3.49Å; I301-M489 HydrophobicContact CG1-CB 4.21Å; I301-M489 HydrophobicContact CG1-CG 4.15Å; I301-M489 HydrophobicContact CG1-SD 3.9Å; I301-M489 HydrophobicContact CG2-CB 4.34Å; F306-M489 HydrophobicContact CD2-CE 4.36Å; F306-M489 HydrophobicContact CE2-CE 3.73Å; F306-M489 HydrophobicContact CE2-CG 4.06Å; F306-M489 HydrophobicContact CE2-SD 4.21Å; F306-M489 HydrophobicContact CZ-CE 4.22Å; F306-M489 HydrophobicContact CZ-CG 3.96Å; F306-M489 HydrophobicContact CZ-SD 4.13Å; I309-M489 HydrophobicContact CD1-CE 4.27Å; V318-M489 HydrophobicContact CG1-CE 4.31Å; V318-M489 HydrophobicContact CG2-CE 3.54Å; V318-M489 HydrophobicContact CG2-SD 4Å; L327-M489 HydrophobicContact CD1-SD 4.44Å; L327-M489 HydrophobicContact CD2-CE 4.41Å; L327-M489 HydrophobicContact CD2-SD 3.47Å; L327-M489 WeakPolarHBondContact CD2-SD 3.42Å; V484-M489 HydrophobicContact CG1-CE 3.34Å; V484-M489 HydrophobicContact CG1-CG 4.09Å; V484-M489 PolarHBondContact O-N 3.23Å; V484-M489 VanDerWaalsContact O-N 3.1Å; L485-M489 HydrophobicContact CD2-CG 4.3Å; L485-M489 CarbonylContact O-C 3.46Å; L485-M489 WeakPolarHBondContact O-CA 3.44Å; L485-M489 WeakPolarHBondContact O-CB 3.28Å; L485-M489 PolarHBondContact O-N 3.47Å; M489-C491 VanDerWaalsContact C-N 3.33Å
490	G	83.3	Confident	79.2	Confident	58 Å²	58	69.5 Å²	69.5	60%	0.598	36%	0.355	S	S	*	.			trans	71.4	24.3	178.8	0	0	0	0	0	114.2	L485	L485-G490 PolarHBondContact O-N 2.99Å
491	C	86.6	Confident	76.1	Confident	10 Å²	10	71.4 Å²	71.4	7%	0.068	37%	0.371	C	S	.	.			trans	-84.1	144.9	178.8	-54.9	0	0	0	0	111.6	C302 L485 R486 M489 S493	C302-C491 WeakPolarHBondContact CA-SG 3.46Å; C302-C491 HydrophobicContact CB-CB 3.96Å; C302-C491 WeakPolarHBondContact CB-SG 3.1Å; C302-C491 WeakPolarHBondContact SG-CB 3.13Å; C302-C491 CovalentContact SG-SG 2.04Å; C302-C491 PolarHBondContact SG-SG 3.24Å; L485-C491 HydrophobicContact CB-CB 4.13Å; L485-C491 VanDerWaalsContact O-CB 3.3Å; L485-C491 WeakPolarHBondContact O-CB 3.45Å; L485-C491 PolarHBondContact O-N 2.64Å; L485-C491 PolarHBondContact O-SG 2.87Å; R486-C491 WeakPolarHBondContact CA-O 3.3Å; M489-C491 VanDerWaalsContact C-N 3.33Å; C491-S493 PolarHBondContact O-N 2.55Å
492	D	81.6	Confident	73.1	Confident	174 Å²	174	72.6 Å²	72.6	93%	0.93	38%	0.377	S	S	*	.	S	Bend	trans	-71	-18.2	179.4	-58.7	-43.1	0	0	0	113.8
493	S	77.4	Confident	70	Confident	56 Å²	56	74.5 Å²	74.5	39%	0.392	39%	0.39	S	S	.	.			trans	-113.7	142.5	-175.6	173.1	0	0	0	0	111.6	C491 E495	C491-S493 PolarHBondContact O-N 2.55Å; S493-E495 PolarHBondContact OG-N 2.8Å; S493-E495 VanDerWaalsContact OG-N 3.1Å; S493-E495 PolarHBondContact OG-O 3.34Å
494	E	77.3	Confident	67.1	Low	104 Å²	104	80.8 Å²	80.8	49%	0.486	42%	0.422	S	S	.	.	S	Bend	trans	-75.1	-28.8	170	-70.1	-165	151.1	0	0	112.9	S483 R486	S483-E494 WeakPolarHBondContact OG-CA 3.47Å; S483-E494 PolarHBondContact OG-O 3.32Å; R486-E494 HydrophobicContact CB-CG 4.48Å; R486-E494 IonicContact CZ-OE1 2.92Å; R486-E494 VanDerWaalsContact NH1-CD 3.28Å; R486-E494 IonicContact NH1-OE1 2.84Å; R486-E494 PolarHBondContact NH1-OE1 2.89Å; R486-E494 IonicContact NH2-OE1 3.68Å; R486-E494 PolarHBondContact NH2-OE1 3.21Å
495	E	75.6	Confident	64.1	Low	139 Å²	139	86.8 Å²	86.8	65%	0.65	45%	0.452	S	S	*	.	S	Bend	trans	-84.2	141.6	176	-69.8	-108.7	137.7	0	0	109.7	S493 K497	S493-E495 PolarHBondContact OG-N 2.8Å; S493-E495 VanDerWaalsContact OG-N 3.1Å; S493-E495 PolarHBondContact OG-O 3.34Å; E495-K497 PolarHBondContact O-N 3.48Å
496	P	71.5	Confident	61.4	Low	34 Å²	34	94.8 Å²	94.8	22%	0.221	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-55.5	136.8	172.3	24.9	-32.2	0	0	0	109.4	C302 E303 L485 K498	C302-P496 WeakPolarHBondContact O-CA 3.49Å; E303-P496 WeakPolarHBondContact O-CB 3.25Å; L485-P496 HydrophobicContact CD1-CB 3.92Å; P496-K498 PolarHBondContact O-N 2.67Å
497	K	66.3	Low	58.7	Low	117 Å²	117	97.8 Å²	97.8	51%	0.509	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-54.3	118	165.6	-75.8	-174.6	-171.5	166.9	0	105.9	D300 C302 E495 G499	D300-K497 WeakPolarHBondContact OD2-CD 3.4Å; D300-K497 IonicContact OD2-NZ 2.72Å; D300-K497 PolarHBondContact OD2-NZ 3.01Å; C302-K497 HydrophobicContact CB-CD 4.02Å; C302-K497 HydrophobicContact CB-CG 4.11Å; C302-K497 PolarHBondContact O-N 3.03Å; E495-K497 PolarHBondContact O-N 3.48Å; K497-G499 PolarHBondContact O-N 3.39Å
498	K	49.3	Very low	56.1	Low	153 Å²	153	101.5 Å²	101.5	67%	0.665	53%	0.533	S	S	*	.			trans	-58.2	94.4	169.3	-87	-179.2	-179.6	-179.9	0	106.8	P496 R500 T501	P496-K498 PolarHBondContact O-N 2.67Å; K498-R500 PolarHBondContact O-N 2.89Å; K498-R500 VanDerWaalsContact O-N 3.13Å; K498-T501 VanDerWaalsContact CB-OG1 3.31Å; K498-T501 WeakPolarHBondContact CB-OG1 3.36Å; K498-T501 WeakPolarHBondContact CD-OG1 3.41Å; K498-T501 WeakPolarHBondContact CG-OG1 3.43Å
499	G	44.8	Very low	53.8	Low	48 Å²	48	110.6 Å²	110.6	50%	0.495	58%	0.576	S	S	.	*			trans	-49.3	124.4	160.1	0	0	0	0	0	105.7	K497 T501	K497-G499 PolarHBondContact O-N 3.39Å; G499-T501 VanDerWaalsContact C-N 3.27Å; G499-T501 PolarHBondContact O-N 3.28Å; G499-T501 PolarHBondContact O-OG1 3.09Å
500	R	36.5	Very low	51.6	Low	213 Å²	213	113.3 Å²	113.3	80%	0.804	61%	0.606	S	S	*	*			trans	-22.2	85.5	-167.1	-92.4	178.5	169.4	148.5	-0.6	112.4	K498 V502	K498-R500 PolarHBondContact O-N 2.89Å; K498-R500 VanDerWaalsContact O-N 3.13Å; R500-V502 VanDerWaalsContact C-N 3.34Å; R500-V502 PolarHBondContact O-N 3.26Å
501	T	28.3	Very low	49.6	Very low	86 Å²	86	113.1 Å²	113.1	53%	0.528	60%	0.604	S	S	.	*			trans	-80.4	100.3	169.9	2.1	0	0	0	0	102.6	K498 G499 I503	K498-T501 VanDerWaalsContact CB-OG1 3.31Å; K498-T501 WeakPolarHBondContact CB-OG1 3.36Å; K498-T501 WeakPolarHBondContact CD-OG1 3.41Å; K498-T501 WeakPolarHBondContact CG-OG1 3.43Å; G499-T501 VanDerWaalsContact C-N 3.27Å; G499-T501 PolarHBondContact O-N 3.28Å; G499-T501 PolarHBondContact O-OG1 3.09Å; T501-I503 PolarHBondContact O-N 3.44Å
502	V	32	Very low	47.7	Very low	81 Å²	81	117.9 Å²	117.9	49%	0.491	64%	0.638	S	S	.	*			trans	-61.8	93.7	156.9	-177.4	0	0	0	0	103.8	R500 I504	R500-V502 VanDerWaalsContact C-N 3.34Å; R500-V502 PolarHBondContact O-N 3.26Å; V502-I504 HydrophobicContact CG1-CG1 4.15Å; V502-I504 PolarHBondContact O-N 3.29Å
503	I	28.2	Very low	45.8	Very low	117 Å²	117	120.2 Å²	120.2	60%	0.6	63%	0.633	S	S	*	*			trans	-59.4	101.9	156.5	-57.7	174.8	0	0	0	102.3	T501 I505	T501-I503 PolarHBondContact O-N 3.44Å; I503-I505 HydrophobicContact CG2-CG1 3.82Å; I503-I505 PolarHBondContact O-N 2.66Å
504	I	32.8	Very low	44.3	Very low	138 Å²	138	121.8 Å²	121.8	71%	0.708	64%	0.64	S	S	*	*			trans	-66.2	89.6	158.4	-58.5	174.5	0	0	0	102.5	V502 E506	V502-I504 HydrophobicContact CG1-CG1 4.15Å; V502-I504 PolarHBondContact O-N 3.29Å; I504-E506 HydrophobicContact CG2-CG 4.2Å; I504-E506 PolarHBondContact O-N 2.65Å; I504-E506 VanDerWaalsContact O-N 3.11Å
505	I	29.9	Very low	43.1	Very low	126 Å²	126	119.3 Å²	119.3	65%	0.646	64%	0.638	S	S	*	*			trans	-62.2	107.1	148.6	-54.7	177.7	0	0	0	100.9	I503 E507	I503-I505 HydrophobicContact CG2-CG1 3.82Å; I503-I505 PolarHBondContact O-N 2.66Å; I505-E507 HydrophobicContact CG2-CB 4.2Å; I505-E507 PolarHBondContact O-N 3.39Å
506	E	32.3	Very low	42.2	Very low	169 Å²	169	115.2 Å²	115.2	79%	0.79	63%	0.633	S	S	*	*			trans	-60.9	79.5	152.5	-84.5	-176	151.1	0	0	105.1	I504 T508	I504-E506 HydrophobicContact CG2-CG 4.2Å; I504-E506 PolarHBondContact O-N 2.65Å; I504-E506 VanDerWaalsContact O-N 3.11Å; E506-T508 PolarHBondContact O-N 3.07Å
507	E	33.6	Very low	41.7	Very low	166 Å²	166	116.9 Å²	116.9	78%	0.776	64%	0.642	S	S	*	*			trans	-70.2	94.3	156.7	-149.5	175.1	-162.7	0	0	102	I505 E509	I505-E507 HydrophobicContact CG2-CB 4.2Å; I505-E507 PolarHBondContact O-N 3.39Å; E507-E509 VanDerWaalsContact C-N 3.28Å; E507-E509 PolarHBondContact O-N 3.24Å
508	T	32.8	Very low	41.7	Very low	121 Å²	121	114.6 Å²	114.6	74%	0.742	64%	0.638	S	S	*	*			trans	-50.4	104.7	163.3	34.2	0	0	0	0	105.5	E506 G510	E506-T508 PolarHBondContact O-N 3.07Å; T508-G510 PolarHBondContact O-N 3.45Å
509	E	40.6	Very low	42.7	Very low	204 Å²	204	112 Å²	112	95%	0.953	63%	0.631	S	S	*	*	S	Bend	trans	-64.2	76.7	165.7	-78.6	-170.1	153.5	0	0	107.4	E507	E507-E509 VanDerWaalsContact C-N 3.28Å; E507-E509 PolarHBondContact O-N 3.24Å
510	G	42.3	Very low	44.1	Very low	65 Å²	65	113.2 Å²	113.2	67%	0.67	63%	0.629	S	S	*	*			trans	-126.3	16.6	174.4	0	0	0	0	0	111.8	T508	T508-G510 PolarHBondContact O-N 3.45Å
511	G	41.5	Very low	46	Very low	55 Å²	55	107.9 Å²	107.9	57%	0.567	62%	0.616	S	S	*	*	S	Bend	trans	-124	-8.6	-169	0	0	0	0	0	117.3
512	S	46.7	Very low	48.4	Very low	110 Å²	110	108.7 Å²	108.7	77%	0.769	62%	0.617	S	S	*	*	H	α-helix	trans	-94.7	-21.7	-170.8	-162.4	0	0	0	0	114.9
513	W	41.6	Very low	50.7	Low	222 Å²	222	109.8 Å²	109.8	84%	0.841	62%	0.62	S	S	*	*	H	α-helix	trans	-83.2	-24.7	176.7	-97.6	76.8	0	0	0	114.2	V517	W513-V517 HydrophobicContact CE3-CG2 4.28Å; W513-V517 HydrophobicContact CZ3-CG2 4.45Å
514	V	47	Very low	53.5	Low	89 Å²	89	109 Å²	109	54%	0.539	62%	0.616	S	S	.	*	H	α-helix	trans	-73	-40.5	-176.2	-170.3	0	0	0	0	110.7	V518	V514-V518 HydrophobicContact CG1-CB 4.21Å; V514-V518 HydrophobicContact CG1-CG2 3.65Å; V514-V518 WeakPolarHBondContact O-CB 3.36Å; V514-V518 VanDerWaalsContact O-CG2 3.26Å; V514-V518 WeakPolarHBondContact O-CG2 3.32Å; V514-V518 PolarHBondContact O-N 3.41Å
515	A	50.8	Low	56.1	Low	53 Å²	53	106.2 Å²	106.2	44%	0.438	61%	0.605	S	S	.	*	H	α-helix	trans	-69.2	-35.7	-179.7	0	0	0	0	0	113.1	V517 I519	A515-V517 PolarHBondContact O-N 2.95Å; A515-I519 HydrophobicContact CB-CD1 4.05Å; A515-I519 WeakPolarHBondContact O-CB 3.44Å; A515-I519 WeakPolarHBondContact O-CG1 3.31Å
516	G	57.7	Low	58.7	Low	52 Å²	52	104.4 Å²	104.4	54%	0.536	60%	0.596	S	S	.	*	H	α-helix	trans	-73	-24	-176.8	0	0	0	0	0	115	P520	G516-P520 WeakPolarHBondContact O-CG 3.41Å
517	V	61.5	Low	61.4	Low	69 Å²	69	100.2 Å²	100.2	42%	0.418	58%	0.582	S	S	.	*	H	α-helix	trans	-115.9	-37.8	-175.6	-178.3	0	0	0	0	112.3	W513 A515 P520 L521	W513-V517 HydrophobicContact CE3-CG2 4.28Å; W513-V517 HydrophobicContact CZ3-CG2 4.45Å; A515-V517 PolarHBondContact O-N 2.95Å; V517-P520 WeakPolarHBondContact O-CD 3.45Å; V517-L521 HydrophobicContact CG1-CD1 3.84Å; V517-L521 WeakPolarHBondContact O-CB 3.2Å; V517-L521 WeakPolarHBondContact O-CD1 3.2Å; V517-L521 WeakPolarHBondContact O-CG 3.4Å; V517-L521 PolarHBondContact O-N 3.13Å
518	V	66.5	Low	63.9	Low	70 Å²	70	97.5 Å²	97.5	42%	0.424	57%	0.572	S	S	.	*	H	α-helix	trans	-74.9	-40.2	-176.5	-177.7	0	0	0	0	111.5	V514 L521 L522	V514-V518 HydrophobicContact CG1-CB 4.21Å; V514-V518 HydrophobicContact CG1-CG2 3.65Å; V514-V518 WeakPolarHBondContact O-CB 3.36Å; V514-V518 VanDerWaalsContact O-CG2 3.26Å; V514-V518 WeakPolarHBondContact O-CG2 3.32Å; V514-V518 PolarHBondContact O-N 3.41Å; V518-L521 PolarHBondContact O-N 3.49Å; V518-L522 HydrophobicContact CG1-CD1 4.44Å; V518-L522 VanDerWaalsContact O-CB 3.25Å; V518-L522 WeakPolarHBondContact O-CB 3.45Å; V518-L522 PolarHBondContact O-N 3.35Å
519	I	70.1	Confident	66.4	Low	99 Å²	99	97.1 Å²	97.1	51%	0.508	57%	0.565	S	S	.	*	H	α-helix	trans	-63.9	-46.3	-179.5	-59.5	174.4	0	0	0	111.4	A515 L521 L522 L523	A515-I519 HydrophobicContact CB-CD1 4.05Å; A515-I519 WeakPolarHBondContact O-CB 3.44Å; A515-I519 WeakPolarHBondContact O-CG1 3.31Å; I519-L521 PolarHBondContact O-N 3.12Å; I519-L522 PolarHBondContact O-N 3.09Å; I519-L523 HydrophobicContact CG2-CD1 4.07Å; I519-L523 WeakPolarHBondContact O-CB 3.43Å; I519-L523 VanDerWaalsContact O-CG 3.32Å; I519-L523 WeakPolarHBondContact O-CG 3.43Å; I519-L523 PolarHBondContact O-N 3.48Å
520	P	74.1	Confident	68.4	Low	72 Å²	72	91.2 Å²	91.2	47%	0.468	54%	0.543	S	S	.	.	H	α-helix	trans	-62.9	-39.6	175	-24	34.7	0	0	0	113.6	G516 V517 L523 L524	G516-P520 WeakPolarHBondContact O-CG 3.41Å; V517-P520 WeakPolarHBondContact O-CD 3.45Å; P520-L523 PolarHBondContact O-N 3.26Å; P520-L524 WeakPolarHBondContact O-CB 3.42Å; P520-L524 PolarHBondContact O-N 3.25Å
521	L	77	Confident	70.5	Confident	102 Å²	102	92.4 Å²	92.4	53%	0.534	53%	0.534	S	S	.	.	H	α-helix	trans	-66.5	-40.5	177.5	-83.2	166.7	0	0	0	112.2	V517 V518 I519 L524 V525	V517-L521 HydrophobicContact CG1-CD1 3.84Å; V517-L521 WeakPolarHBondContact O-CB 3.2Å; V517-L521 WeakPolarHBondContact O-CD1 3.2Å; V517-L521 WeakPolarHBondContact O-CG 3.4Å; V517-L521 PolarHBondContact O-N 3.13Å; V518-L521 PolarHBondContact O-N 3.49Å; I519-L521 PolarHBondContact O-N 3.12Å; L521-L524 PolarHBondContact O-N 3.5Å; L521-V525 WeakPolarHBondContact O-CG2 3.34Å; L521-V525 PolarHBondContact O-N 3Å
522	L	77.5	Confident	72.5	Confident	103 Å²	103	91.6 Å²	91.6	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-69	-37.7	179.7	-149.7	152.1	0	0	0	111	V518 I519 V525 L526	V518-L522 HydrophobicContact CG1-CD1 4.44Å; V518-L522 VanDerWaalsContact O-CB 3.25Å; V518-L522 WeakPolarHBondContact O-CB 3.45Å; V518-L522 PolarHBondContact O-N 3.35Å; I519-L522 PolarHBondContact O-N 3.09Å; L522-V525 PolarHBondContact O-N 2.92Å; L522-L526 HydrophobicContact CD2-CD1 3.97Å; L522-L526 WeakPolarHBondContact O-CG 3.5Å; L522-L526 PolarHBondContact O-N 3.06Å
523	L	81.1	Confident	74	Confident	104 Å²	104	88.3 Å²	88.3	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-40.7	170.5	-72.5	172.3	0	0	0	112.1	I519 P520 L526 V527	I519-L523 HydrophobicContact CG2-CD1 4.07Å; I519-L523 WeakPolarHBondContact O-CB 3.43Å; I519-L523 VanDerWaalsContact O-CG 3.32Å; I519-L523 WeakPolarHBondContact O-CG 3.43Å; I519-L523 PolarHBondContact O-N 3.48Å; P520-L523 PolarHBondContact O-N 3.26Å; L523-L526 PolarHBondContact O-N 3.45Å; L523-V527 WeakPolarHBondContact O-CG2 3.3Å; L523-V527 PolarHBondContact O-N 2.96Å
524	L	86.1	Confident	75.8	Confident	100 Å²	100	83.4 Å²	83.4	52%	0.524	49%	0.494	S	S	.	.	H	α-helix	trans	-66.4	-38.9	178.5	-162.9	144.3	0	0	0	111.7	P520 L521 V527 L528	P520-L524 WeakPolarHBondContact O-CB 3.42Å; P520-L524 PolarHBondContact O-N 3.25Å; L521-L524 PolarHBondContact O-N 3.5Å; L524-V527 PolarHBondContact O-N 2.78Å; L524-L528 HydrophobicContact CD2-CD1 3.71Å; L524-L528 HydrophobicContact CD2-CG 4.27Å; L524-L528 WeakPolarHBondContact O-CG 3.38Å; L524-L528 PolarHBondContact O-N 3.47Å
525	V	87.5	Confident	77.4	Confident	79 Å²	79	84.1 Å²	84.1	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-63.8	-42	172.7	171.8	0	0	0	0	111.4	L521 L522 V527 L528 L529	L521-V525 WeakPolarHBondContact O-CG2 3.34Å; L521-V525 PolarHBondContact O-N 3Å; L522-V525 PolarHBondContact O-N 2.92Å; V525-V527 VanDerWaalsContact C-N 3.35Å; V525-V527 PolarHBondContact O-N 3.41Å; V525-L528 PolarHBondContact O-N 2.9Å; V525-L529 HydrophobicContact CG1-CD1 3.98Å; V525-L529 HydrophobicContact CG1-CG 4.34Å; V525-L529 WeakPolarHBondContact O-CB 3.29Å; V525-L529 WeakPolarHBondContact O-CG 3.38Å; V525-L529 PolarHBondContact O-N 2.93Å
526	L	84.3	Confident	78.6	Confident	89 Å²	89	86.8 Å²	86.8	47%	0.466	50%	0.496	S	S	.	.	H	α-helix	trans	-63.4	-39.3	175.7	-79.3	164.9	0	0	0	112.4	L522 L523 L529 T530	L522-L526 HydrophobicContact CD2-CD1 3.97Å; L522-L526 WeakPolarHBondContact O-CG 3.5Å; L522-L526 PolarHBondContact O-N 3.06Å; L523-L526 PolarHBondContact O-N 3.45Å; L526-L529 PolarHBondContact O-N 3.4Å; L526-T530 WeakPolarHBondContact O-CB 3.39Å; L526-T530 WeakPolarHBondContact O-CG2 3.37Å; L526-T530 PolarHBondContact O-N 2.88Å; L526-T530 PolarHBondContact O-OG1 3.32Å
527	V	88.3	Confident	79.3	Confident	81 Å²	81	88.4 Å²	88.4	49%	0.491	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-42.5	174.1	171.9	0	0	0	0	111	L523 L524 V525 T530 L531	L523-V527 WeakPolarHBondContact O-CG2 3.3Å; L523-V527 PolarHBondContact O-N 2.96Å; L524-V527 PolarHBondContact O-N 2.78Å; V525-V527 VanDerWaalsContact C-N 3.35Å; V525-V527 PolarHBondContact O-N 3.41Å; V527-T530 WeakPolarHBondContact CA-OG1 3.42Å; V527-T530 PolarHBondContact O-N 2.76Å; V527-T530 PolarHBondContact O-OG1 3.25Å; V527-L531 HydrophobicContact CG1-CD1 3.91Å; V527-L531 WeakPolarHBondContact O-CB 3.47Å; V527-L531 PolarHBondContact O-N 2.9Å
528	L	86.9	Confident	79.8	Confident	108 Å²	108	95.8 Å²	95.8	57%	0.565	51%	0.509	S	S	*	.	H	α-helix	trans	-67.2	-37.7	176.6	-70.3	174.7	0	0	0	112.7	L524 V525 G532	L524-L528 HydrophobicContact CD2-CD1 3.71Å; L524-L528 HydrophobicContact CD2-CG 4.27Å; L524-L528 WeakPolarHBondContact O-CG 3.38Å; L524-L528 PolarHBondContact O-N 3.47Å; V525-L528 PolarHBondContact O-N 2.9Å; L528-G532 PolarHBondContact O-N 3.46Å
529	L	86.1	Confident	79.9	Confident	114 Å²	114	100 Å²	100	60%	0.597	52%	0.522	S	S	*	.	H	α-helix	trans	-67.5	-40.6	175.8	-74.7	172.4	0	0	0	112	V525 L526 G532 A533	V525-L529 HydrophobicContact CG1-CD1 3.98Å; V525-L529 HydrophobicContact CG1-CG 4.34Å; V525-L529 WeakPolarHBondContact O-CB 3.29Å; V525-L529 WeakPolarHBondContact O-CG 3.38Å; V525-L529 PolarHBondContact O-N 2.93Å; L526-L529 PolarHBondContact O-N 3.4Å; L529-G532 PolarHBondContact O-N 3.44Å; L529-A533 WeakPolarHBondContact O-CB 3.36Å; L529-A533 PolarHBondContact O-N 3.48Å
530	T	82.6	Confident	79.9	Confident	80 Å²	80	102.5 Å²	102.5	49%	0.491	53%	0.526	S	S	.	.	H	α-helix	trans	-68.3	-41.1	176.5	49.7	0	0	0	0	111.8	L526 V527 A533 L534	L526-T530 WeakPolarHBondContact O-CB 3.39Å; L526-T530 WeakPolarHBondContact O-CG2 3.37Å; L526-T530 PolarHBondContact O-N 2.88Å; L526-T530 PolarHBondContact O-OG1 3.32Å; V527-T530 WeakPolarHBondContact CA-OG1 3.42Å; V527-T530 PolarHBondContact O-N 2.76Å; V527-T530 PolarHBondContact O-OG1 3.25Å; T530-A533 PolarHBondContact O-N 2.96Å; T530-L534 WeakPolarHBondContact O-CB 3.44Å; T530-L534 VanDerWaalsContact O-CG 3.32Å; T530-L534 WeakPolarHBondContact O-CG 3.46Å; T530-L534 PolarHBondContact O-N 3.41Å
531	L	85.1	Confident	79.6	Confident	90 Å²	90	101 Å²	101	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-61.6	-43	170.6	-97.8	144.9	0	0	0	111.9	V527 L534 L535	V527-L531 HydrophobicContact CG1-CD1 3.91Å; V527-L531 WeakPolarHBondContact O-CB 3.47Å; V527-L531 PolarHBondContact O-N 2.9Å; L531-L534 PolarHBondContact O-N 3.42Å; L531-L535 WeakPolarHBondContact O-CB 3.26Å; L531-L535 VanDerWaalsContact O-CG 3.29Å; L531-L535 WeakPolarHBondContact O-CG 3.31Å; L531-L535 PolarHBondContact O-N 3.37Å
532	G	83.6	Confident	78.8	Confident	37 Å²	37	101.7 Å²	101.7	38%	0.381	53%	0.532	S	S	.	.	H	α-helix	trans	-60.8	-44.6	175	0	0	0	0	0	112.4	L528 L529 L535 F536	L528-G532 PolarHBondContact O-N 3.46Å; L529-G532 PolarHBondContact O-N 3.44Å; G532-L535 PolarHBondContact O-N 2.91Å; G532-F536 VanDerWaalsContact O-CB 3.23Å; G532-F536 WeakPolarHBondContact O-CB 3.24Å; G532-F536 PolarHBondContact O-N 3.24Å
533	A	79.4	Confident	77.8	Confident	41 Å²	41	100.8 Å²	100.8	34%	0.339	53%	0.533	S	S	.	.	H	α-helix	trans	-65.1	-42.3	176	0	0	0	0	0	111.8	L529 T530 F536 F537	L529-A533 WeakPolarHBondContact O-CB 3.36Å; L529-A533 PolarHBondContact O-N 3.48Å; T530-A533 PolarHBondContact O-N 2.96Å; A533-F536 PolarHBondContact O-N 2.89Å; A533-F537 HydrophobicContact CB-CD2 4.47Å; A533-F537 HydrophobicContact CB-CE2 4.19Å; A533-F537 WeakPolarHBondContact O-CD2 3.41Å; A533-F537 WeakPolarHBondContact O-CG 3.39Å; A533-F537 PolarHBondContact O-N 2.98Å
534	L	79.3	Confident	76.6	Confident	119 Å²	119	106.5 Å²	106.5	62%	0.623	55%	0.547	S	S	*	.	H	α-helix	trans	-63.1	-42.6	175.6	-76.8	168.3	0	0	0	111.9	T530 L531 F537 R538	T530-L534 WeakPolarHBondContact O-CB 3.44Å; T530-L534 VanDerWaalsContact O-CG 3.32Å; T530-L534 WeakPolarHBondContact O-CG 3.46Å; T530-L534 PolarHBondContact O-N 3.41Å; L531-L534 PolarHBondContact O-N 3.42Å; L534-F537 PolarHBondContact O-N 2.91Å; L534-R538 WeakPolarHBondContact O-CB 3.36Å; L534-R538 PolarHBondContact O-N 3.48Å
535	L	80.7	Confident	75.2	Confident	104 Å²	104	113 Å²	113	55%	0.545	57%	0.565	S	S	.	*	H	α-helix	trans	-67.4	-37.6	175	-71.1	174.3	0	0	0	111.8	L531 G532 R538 K539	L531-L535 WeakPolarHBondContact O-CB 3.26Å; L531-L535 VanDerWaalsContact O-CG 3.29Å; L531-L535 WeakPolarHBondContact O-CG 3.31Å; L531-L535 PolarHBondContact O-N 3.37Å; G532-L535 PolarHBondContact O-N 2.91Å; L535-R538 PolarHBondContact O-N 2.81Å; L535-K539 VanDerWaalsContact O-CB 3.25Å; L535-K539 WeakPolarHBondContact O-CB 3.23Å; L535-K539 PolarHBondContact O-N 3.15Å
536	F	76.3	Confident	73.5	Confident	110 Å²	110	117.5 Å²	117.5	48%	0.482	59%	0.585	S	S	.	*	H	α-helix	trans	-63.3	-48.4	174.3	-177.8	-93.4	0	0	0	111.4	G532 A533 R538 K539 Y540	G532-F536 VanDerWaalsContact O-CB 3.23Å; G532-F536 WeakPolarHBondContact O-CB 3.24Å; G532-F536 PolarHBondContact O-N 3.24Å; A533-F536 PolarHBondContact O-N 2.89Å; F536-R538 VanDerWaalsContact C-N 3.31Å; F536-R538 PolarHBondContact O-N 3.44Å; F536-K539 PolarHBondContact O-N 3.07Å; F536-Y540 AromaticContact CD2-CD2 3.55Å; F536-Y540 HydrophobicContact CD2-CD2 3.55Å; F536-Y540 AromaticContact CD2-CE2 4Å; F536-Y540 HydrophobicContact CD2-CE2 4Å; F536-Y540 AromaticContact CE2-CD2 3.6Å; F536-Y540 HydrophobicContact CE2-CD2 3.6Å; F536-Y540 HydrophobicContact CE2-CE2 4.07Å; F536-Y540 HydrophobicContact CE2-CG 4.24Å; F536-Y540 HydrophobicContact CG-CD2 4.18Å; F536-Y540 HydrophobicContact CZ-CD2 4.26Å; F536-Y540 WeakPolarHBondContact O-CB 3.49Å; F536-Y540 PolarHBondContact O-N 3.33Å
537	F	71	Confident	72	Confident	86 Å²	86	118.9 Å²	118.9	38%	0.377	59%	0.592	S	S	.	*	H	α-helix	trans	-66.4	-32.5	175.9	-67.9	-50.8	0	0	0	112.6	A533 L534 G541 T542 P543	A533-F537 HydrophobicContact CB-CD2 4.47Å; A533-F537 HydrophobicContact CB-CE2 4.19Å; A533-F537 WeakPolarHBondContact O-CD2 3.41Å; A533-F537 WeakPolarHBondContact O-CG 3.39Å; A533-F537 PolarHBondContact O-N 2.98Å; L534-F537 PolarHBondContact O-N 2.91Å; F537-G541 VanDerWaalsContact O-CA 3.26Å; F537-G541 WeakPolarHBondContact O-CA 3.48Å; F537-G541 PolarHBondContact O-N 3.35Å; F537-T542 HydrophobicContact CB-CG2 4.48Å; F537-T542 HydrophobicContact CD1-CG2 4.07Å; F537-T542 HydrophobicContact CG-CG2 4.32Å; F537-P543 HydrophobicContact CE1-CG 3.83Å
538	R	72.6	Confident	70.1	Confident	223 Å²	223	125.7 Å²	125.7	84%	0.842	61%	0.611	S	S	*	*	H	α-helix	trans	-69.5	-33.8	173.7	-170	176.2	178.7	174.5	0.1	112.4	L534 L535 F536	L534-R538 WeakPolarHBondContact O-CB 3.36Å; L534-R538 PolarHBondContact O-N 3.48Å; L535-R538 PolarHBondContact O-N 2.81Å; F536-R538 VanDerWaalsContact C-N 3.31Å; F536-R538 PolarHBondContact O-N 3.44Å
539	K	69.4	Low	68.4	Low	158 Å²	158	127 Å²	127	69%	0.687	63%	0.627	S	S	*	*	H	α-helix	trans	-88.9	-31.9	-177.3	-166.9	174.7	-178.6	-178.3	0	113.6	L535 F536	L535-K539 VanDerWaalsContact O-CB 3.25Å; L535-K539 WeakPolarHBondContact O-CB 3.23Å; L535-K539 PolarHBondContact O-N 3.15Å; F536-K539 PolarHBondContact O-N 3.07Å
540	Y	69.4	Low	66.7	Low	153 Å²	153	129.8 Å²	129.8	60%	0.6	64%	0.637	S	S	*	*	H	α-helix	trans	-119.5	-0.2	-172.3	-62.9	-74.6	0	0	0	114.5	F536	F536-Y540 AromaticContact CD2-CD2 3.55Å; F536-Y540 HydrophobicContact CD2-CD2 3.55Å; F536-Y540 AromaticContact CD2-CE2 4Å; F536-Y540 HydrophobicContact CD2-CE2 4Å; F536-Y540 AromaticContact CE2-CD2 3.6Å; F536-Y540 HydrophobicContact CE2-CD2 3.6Å; F536-Y540 HydrophobicContact CE2-CE2 4.07Å; F536-Y540 HydrophobicContact CE2-CG 4.24Å; F536-Y540 HydrophobicContact CG-CD2 4.18Å; F536-Y540 HydrophobicContact CZ-CD2 4.26Å; F536-Y540 WeakPolarHBondContact O-CB 3.49Å; F536-Y540 PolarHBondContact O-N 3.33Å
541	G	66.9	Low	65	Low	41 Å²	41	137.9 Å²	137.9	42%	0.423	66%	0.659	S	S	.	*			trans	72.9	157.3	-178.6	0	0	0	0	0	113	F537	F537-G541 VanDerWaalsContact O-CA 3.26Å; F537-G541 WeakPolarHBondContact O-CA 3.48Å; F537-G541 PolarHBondContact O-N 3.35Å
542	T	60.1	Low	63.4	Low	115 Å²	115	138.8 Å²	138.8	71%	0.706	67%	0.673	S	S	*	*			trans	-70.8	136.7	-177.8	28.4	0	0	0	0	112.3	F537 R544	F537-T542 HydrophobicContact CB-CG2 4.48Å; F537-T542 HydrophobicContact CD1-CG2 4.07Å; F537-T542 HydrophobicContact CG-CG2 4.32Å; T542-R544 PolarHBondContact O-N 3.39Å
543	P	57.8	Low	61.9	Low	85 Å²	85	145.3 Å²	145.3	55%	0.552	70%	0.698	S	S	*	*			trans	-58.4	131.4	175.2	-22.5	29.9	0	0	0	111.6	F537 R545	F537-P543 HydrophobicContact CE1-CG 3.83Å; P543-R545 PolarHBondContact O-N 3.49Å
544	R	56.3	Low	60.4	Low	224 Å²	224	151 Å²	151	85%	0.845	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	40	-179.7	-80.1	-179	168.3	174.8	-2.9	115.5	T542 L547	T542-R544 PolarHBondContact O-N 3.39Å; R544-L547 HydrophobicContact CG-CD1 4.27Å
545	R	55.8	Low	58.5	Low	237 Å²	237	152.3 Å²	152.3	89%	0.894	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	21.2	170.9	-74.2	-163.2	179.7	-150.9	2.7	114.5	P543	P543-R545 PolarHBondContact O-N 3.49Å
546	L	52.3	Low	56.9	Low	172 Å²	172	157.2 Å²	157.2	90%	0.901	75%	0.746	S	S	*	*	S	Bend	trans	-113.4	25.1	157.2	-79.5	167.3	0	0	0	111.8
547	L	51.7	Low	55.3	Low	119 Å²	119	162.2 Å²	162.2	62%	0.623	79%	0.785	S	S	*	*	S	Bend	trans	-105.6	12.2	175.1	-90.9	158	0	0	0	112.9	R544	R544-L547 HydrophobicContact CG-CD1 4.27Å
548	Y	48.8	Very low	54.6	Low	224 Å²	224	166.1 Å²	166.1	88%	0.878	81%	0.806	S	S	*	*	S	Bend	trans	-111.8	20.8	-177.8	-138.3	-91	0	0	0	114.4
549	C	52.4	Low	53.6	Low	135 Å²	135	163.1 Å²	163.1	91%	0.912	80%	0.804	S	S	*	*	S	Bend	trans	-119.7	19	167.5	-89.2	0	0	0	0	113.4
550	Q	48.7	Very low	52.7	Low	173 Å²	173	163.3 Å²	163.3	81%	0.808	81%	0.81	S	S	*	*	S	Bend	trans	-128.1	21.5	179.1	-148.1	-177.9	-7	0	0	113.9
551	R	48.2	Very low	51.8	Low	250 Å²	250	163.9 Å²	163.9	94%	0.943	82%	0.823	S	S	*	*	S	Bend	trans	-143.9	32.4	-179.9	-120.2	-179.9	-172	-175.3	1.7	115.3
552	S	50.5	Low	50.8	Low	109 Å²	109	171.6 Å²	171.6	76%	0.762	85%	0.848	S	S	*	*	S	Bend	trans	-142.4	24.7	175.8	-167.3	0	0	0	0	115.5
553	L	53.3	Low	50.2	Low	173 Å²	173	175.4 Å²	175.4	91%	0.906	86%	0.857	S	S	*	*	S	Bend	trans	-147.1	46.5	168.2	-77.6	179.3	0	0	0	112.6
554	L	46	Very low	49.7	Very low	160 Å²	160	181.9 Å²	181.9	84%	0.838	88%	0.879	S	S	*	*	S	Bend	trans	-140.5	89.1	156.5	-98.9	163.1	0	0	0	107.7
555	D	39.8	Very low	49.1	Very low	148 Å²	148	178.6 Å²	178.6	79%	0.791	88%	0.882	S	S	*	*			trans	49.7	115.9	146.6	-55.2	-20.2	0	0	0	121.2
556	K	46.7	Very low	48.6	Very low	207 Å²	207	173.8 Å²	173.8	90%	0.9	88%	0.881	S	S	*	*			trans	-85.9	134.4	142	-84.2	-177.8	175.5	179.7	0	108.1
557	V	44.7	Very low	48.3	Very low	215 Å²	215	173.9 Å²	173.9	100%	1.303	88%	0.879	S	S	*	*			trans	-35.6	0	156.9	178.2	0	0	0	0	112.3

Retrieved 557 of 557 residues in 730.5 ms (Link to these results)

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