A0A3Q0KD39_SCHMA Loading...

NudC domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A3Q0KD39, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 660 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	84.1	Confident	89.1	Confident	115 Å²	115	83.7 Å²	83.7	57%	0.567	43%	0.433	S	S	*	.				0	133.7	0	-175.2	166.5	-167.8	0	0	109.5	V3 T484 H485 Q486 P535	M1-V3 HydrophobicContact CG-CG2 4.22Å; M1-T484 WeakPolarHBondContact CB-O 3.31Å; M1-T484 PolarHBondContact N-O 2.84Å; M1-H485 CarbonylContact O-C 3.51Å; M1-H485 WeakPolarHBondContact O-CA 3.46Å; M1-Q486 PolarHBondContact O-N 3.46Å; M1-P535 HydrophobicContact CE-CB 3.59Å; M1-P535 HydrophobicContact CE-CG 3.29Å; M1-P535 HydrophobicContact SD-CB 3.71Å; M1-P535 HydrophobicContact SD-CG 4.09Å
2	N	86.9	Confident	89.3	Confident	87 Å²	87	80.4 Å²	80.4	47%	0.465	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-86.9	133.4	168.2	-67.4	-8.5	0	0	0	108.3	Q486	N2-Q486 CarbonylContact C-O 3.49Å; N2-Q486 WeakPolarHBondContact CA-O 3.49Å; N2-Q486 WeakPolarHBondContact OD1-CG 3.36Å; N2-Q486 PolarHBondContact OD1-NE2 2.78Å
3	V	86.7	Confident	89.2	Confident	21 Å²	21	76.7 Å²	76.7	13%	0.127	40%	0.398	C	S	.	.			trans	-124.2	141.1	-177.7	-176.5	0	0	0	0	108	M1 H485 Q486 A487 C536 W538	M1-V3 HydrophobicContact CG-CG2 4.22Å; V3-H485 HydrophobicContact CG2-CB 4.18Å; V3-Q486 PolarHBondContact N-O 3.19Å; V3-A487 WeakPolarHBondContact O-CA 3.48Å; V3-A487 WeakPolarHBondContact O-CB 3.46Å; V3-C536 HydrophobicContact CG1-CB 4.19Å; V3-C536 VanDerWaalsContact CG1-SG 3.57Å; V3-W538 HydrophobicContact CB-CE3 4.47Å; V3-W538 HydrophobicContact CB-CZ3 3.96Å; V3-W538 HydrophobicContact CG1-CE3 4.24Å; V3-W538 HydrophobicContact CG1-CZ3 4.23Å; V3-W538 HydrophobicContact CG2-CZ3 4.1Å
4	S	87.1	Confident	89	Confident	81 Å²	81	79.3 Å²	79.3	57%	0.566	42%	0.422	S	S	*	.			trans	-104.1	124.4	169.8	169.9	0	0	0	0	107.7	R6	S4-R6 PolarHBondContact O-N 3.25Å
5	L	90	Very high	88.8	Confident	15 Å²	15	77.9 Å²	77.9	8%	0.079	42%	0.415	C	S	.	.			trans	-76.7	114.6	174.6	-64	-174.3	0	0	0	108.4	L473 A487 L489 I513 W522 W538	L5-L473 HydrophobicContact CD1-CD2 4.22Å; L5-A487 HydrophobicContact CD2-CB 4.47Å; L5-A487 HydrophobicContact CG-CB 4.1Å; L5-L489 HydrophobicContact CD1-CD2 3.5Å; L5-L489 HydrophobicContact CG-CD2 4.44Å; L5-I513 HydrophobicContact CD1-CD1 3.99Å; L5-W522 HydrophobicContact CB-CH2 3.76Å; L5-W522 HydrophobicContact CB-CZ2 3.61Å; L5-W522 HydrophobicContact CB-CZ3 4.35Å; L5-W522 HydrophobicContact CD1-CD2 4.25Å; L5-W522 HydrophobicContact CD1-CZ2 4.49Å; L5-W522 HydrophobicContact CD2-CD2 4.39Å; L5-W522 HydrophobicContact CD2-CE3 4.08Å; L5-W522 HydrophobicContact CD2-CH2 4.3Å; L5-W522 HydrophobicContact CD2-CZ3 4.02Å; L5-W522 HydrophobicContact CG-CZ2 4.45Å; L5-W538 HydrophobicContact CD2-CB 3.79Å; L5-W538 HydrophobicContact CD2-CD2 4.2Å; L5-W538 HydrophobicContact CD2-CE3 3.79Å; L5-W538 HydrophobicContact CD2-CG 4.24Å
6	R	89.8	Confident	88.8	Confident	197 Å²	197	74.9 Å²	74.9	74%	0.743	40%	0.397	S	S	*	.			trans	-114.5	114.7	178.4	-66.3	-176.6	-179.3	179.5	-2.1	110	S4 D8 W522	S4-R6 PolarHBondContact O-N 3.25Å; R6-D8 PolarHBondContact O-N 3.17Å; R6-W522 WeakPolarHBondContact O-CH2 3.36Å
7	P	91.8	Very high	88.6	Confident	16 Å²	16	77.1 Å²	77.1	10%	0.104	40%	0.404	C	S	.	.			trans	-55.1	133	176.1	-25.1	34	0	0	0	111.3	H9 L12 H515 I520	P7-H9 PolarHBondContact O-N 3.44Å; P7-H9 VanDerWaalsContact O-N 3.15Å; P7-L12 HydrophobicContact CB-CD1 4.24Å; P7-H515 HydrophobicContact CG-CB 4.46Å; P7-H515 WeakPolarHBondContact CG-CD2 3.47Å; P7-I520 HydrophobicContact CG-CG1 4.39Å
8	D	91.4	Very high	88.5	Confident	78 Å²	78	75 Å²	75	42%	0.417	40%	0.397	S	S	.	.			trans	-65.1	110.5	165	-174.1	-18.1	0	0	0	109.4	R6 S10 L11 H540	R6-D8 PolarHBondContact O-N 3.17Å; D8-S10 PolarHBondContact O-N 3.16Å; D8-S10 VanDerWaalsContact O-N 3.16Å; D8-S10 VanDerWaalsContact OD1-CB 3.3Å; D8-S10 WeakPolarHBondContact OD1-CB 3.41Å; D8-S10 PolarHBondContact OD1-N 3.02Å; D8-S10 PolarHBondContact OD1-OG 3.21Å; D8-S10 PolarHBondContact OD2-OG 2.71Å; D8-L11 HydrophobicContact CB-CD1 4.24Å; D8-L11 HydrophobicContact CB-CG 4.37Å; D8-L11 PolarHBondContact O-N 3.17Å; D8-L11 VanDerWaalsContact O-N 3.08Å; D8-H540 HydrophobicContact CB-CB 4.15Å; D8-H540 PolarHBondContact N-ND1 3.08Å; D8-H540 PolarHBondContact O-ND1 2.85Å
9	H	90.5	Very high	88.5	Confident	155 Å²	155	71.8 Å²	71.8	72%	0.718	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-61.1	-20.7	-179.6	-69.8	-80.1	0	0	0	113.6	P7 L11 L12	P7-H9 PolarHBondContact O-N 3.44Å; P7-H9 VanDerWaalsContact O-N 3.15Å; H9-L11 PolarHBondContact O-N 3.35Å; H9-L12 PolarHBondContact O-N 3.02Å
10	S	90.6	Very high	88.5	Confident	94 Å²	94	72.9 Å²	72.9	66%	0.657	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-70.8	-15.3	176.5	71.1	0	0	0	0	113.5	D8	D8-S10 PolarHBondContact O-N 3.16Å; D8-S10 VanDerWaalsContact O-N 3.16Å; D8-S10 VanDerWaalsContact OD1-CB 3.3Å; D8-S10 WeakPolarHBondContact OD1-CB 3.41Å; D8-S10 PolarHBondContact OD1-N 3.02Å; D8-S10 PolarHBondContact OD1-OG 3.21Å; D8-S10 PolarHBondContact OD2-OG 2.71Å
11	L	91.2	Very high	88.6	Confident	62 Å²	62	74.1 Å²	74.1	33%	0.325	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-98.6	-8.1	177	-62	178.7	0	0	0	112.9	D8 H9 H540 T543 Q545	D8-L11 HydrophobicContact CB-CD1 4.24Å; D8-L11 HydrophobicContact CB-CG 4.37Å; D8-L11 PolarHBondContact O-N 3.17Å; D8-L11 VanDerWaalsContact O-N 3.08Å; H9-L11 PolarHBondContact O-N 3.35Å; L11-H540 WeakPolarHBondContact CB-CE1 3.42Å; L11-H540 HydrophobicContact CD1-CB 4.37Å; L11-H540 WeakPolarHBondContact CD1-O 3.39Å; L11-T543 WeakPolarHBondContact O-CB 3.05Å; L11-T543 PolarHBondContact O-OG1 2.8Å; L11-Q545 PolarHBondContact O-NE2 2.82Å
12	L	90.9	Very high	88.7	Confident	44 Å²	44	70 Å²	70	23%	0.23	37%	0.369	C	S	.	.			trans	-88.8	145.1	176.2	-58.3	178.8	0	0	0	110.6	P7 H9 P14 I520 T543	P7-L12 HydrophobicContact CB-CD1 4.24Å; H9-L12 PolarHBondContact O-N 3.02Å; L12-P14 WeakPolarHBondContact O-CD 3.22Å; L12-I520 HydrophobicContact CD2-CD1 3.6Å; L12-T543 HydrophobicContact CD2-CG2 3.86Å
13	D	89	Confident	88.7	Confident	32 Å²	32	73.2 Å²	73.2	17%	0.171	39%	0.386	C	S	.	.			trans	-109.4	96.9	175.7	-176.6	2.5	0	0	0	111.4	N15 F16 Q545 H617	D13-N15 PolarHBondContact O-N 2.97Å; D13-N15 VanDerWaalsContact O-N 3.09Å; D13-N15 PolarHBondContact OD1-N 3.09Å; D13-F16 HydrophobicContact CB-CB 4.07Å; D13-F16 WeakPolarHBondContact O-CB 3.3Å; D13-F16 PolarHBondContact O-N 3.39Å; D13-F16 VanDerWaalsContact O-N 3.1Å; D13-F16 PolarHBondContact OD1-N 3.06Å; D13-Q545 HydrophobicContact CB-CG 4.29Å; D13-H617 VanDerWaalsContact CG-ND1 3.31Å; D13-H617 IonicContact OD1-CE1 3.78Å; D13-H617 IonicContact OD1-ND1 3.17Å; D13-H617 PolarHBondContact OD1-ND1 2.78Å; D13-H617 WeakPolarHBondContact OD2-CB 3.5Å; D13-H617 IonicContact OD2-CE1 3.81Å; D13-H617 IonicContact OD2-CG 3.47Å; D13-H617 IonicContact OD2-ND1 2.71Å; D13-H617 PolarHBondContact OD2-ND1 2.67Å
14	P	85.9	Confident	88.7	Confident	113 Å²	113	78.7 Å²	78.7	73%	0.734	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-7.7	-179.4	30.3	-36.8	0	0	0	113.7	L12	L12-P14 WeakPolarHBondContact O-CD 3.22Å
15	N	86.4	Confident	88.8	Confident	59 Å²	59	84.3 Å²	84.3	32%	0.316	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	1.8	176.4	-62.1	-52.4	0	0	0	112.7	D13 E17 H617	D13-N15 PolarHBondContact O-N 2.97Å; D13-N15 VanDerWaalsContact O-N 3.09Å; D13-N15 PolarHBondContact OD1-N 3.09Å; N15-E17 PolarHBondContact O-N 2.91Å; N15-H617 PolarHBondContact O-N 2.85Å
16	F	87.6	Confident	89	Confident	30 Å²	30	84.7 Å²	84.7	13%	0.132	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	125.5	173.6	-172	-92	0	0	0	110.4	D13 Y19 Q545 A546 A619	D13-F16 HydrophobicContact CB-CB 4.07Å; D13-F16 WeakPolarHBondContact O-CB 3.3Å; D13-F16 PolarHBondContact O-N 3.39Å; D13-F16 VanDerWaalsContact O-N 3.1Å; D13-F16 PolarHBondContact OD1-N 3.06Å; F16-Y19 HydrophobicContact CE1-CD2 4.34Å; F16-Y19 HydrophobicContact CE1-CE2 4.2Å; F16-Y19 HydrophobicContact CZ-CD1 4.43Å; F16-Y19 HydrophobicContact CZ-CD2 4.03Å; F16-Y19 HydrophobicContact CZ-CE1 4.3Å; F16-Y19 AromaticContact CZ-CE2 3.9Å; F16-Y19 HydrophobicContact CZ-CE2 3.9Å; F16-Y19 HydrophobicContact CZ-CG 4.3Å; F16-Q545 HydrophobicContact CB-CB 4.18Å; F16-Q545 HydrophobicContact CB-CG 4.46Å; F16-Q545 HydrophobicContact CD1-CB 3.74Å; F16-Q545 HydrophobicContact CD2-CB 3.56Å; F16-Q545 HydrophobicContact CD2-CG 3.98Å; F16-Q545 HydrophobicContact CE1-CB 3.98Å; F16-Q545 HydrophobicContact CE2-CB 3.78Å; F16-Q545 HydrophobicContact CE2-CG 4.44Å; F16-Q545 HydrophobicContact CG-CB 3.53Å; F16-Q545 HydrophobicContact CG-CG 4.17Å; F16-Q545 HydrophobicContact CZ-CB 3.98Å; F16-A546 HydrophobicContact CD1-CB 3.87Å; F16-A546 HydrophobicContact CE1-CB 3.47Å; F16-A546 VanDerWaalsContact CE1-CB 3.47Å; F16-A619 HydrophobicContact CE2-CB 3.7Å; F16-A619 HydrophobicContact CZ-CB 4.17Å
17	E	85.6	Confident	89.2	Confident	112 Å²	112	77.4 Å²	77.4	52%	0.523	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-56	-177.6	-172.6	-179.5	-161.2	0	0	112	N15 V616 H617	N15-E17 PolarHBondContact O-N 2.91Å; E17-V616 HydrophobicContact CB-CB 4.26Å; E17-V616 VanDerWaalsContact OE2-CG2 3.31Å; E17-V616 WeakPolarHBondContact OE2-CG2 3.16Å; E17-H617 PolarHBondContact N-O 2.85Å
18	S	87	Confident	89.4	Confident	39 Å²	39	79.6 Å²	79.6	27%	0.273	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	167.5	-179.7	72.4	0	0	0	0	115.2	K20 V618 A619	S18-K20 PolarHBondContact OG-NZ 3.38Å; S18-K20 VanDerWaalsContact OG-NZ 3.13Å; S18-V618 WeakPolarHBondContact O-CA 3.17Å; S18-A619 PolarHBondContact O-N 3.2Å
19	Y	88.9	Confident	89.7	Confident	15 Å²	15	79 Å²	79	6%	0.059	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.7	165	-68	-84.3	0	0	0	111.6	F16 Q545 A546 V550 Y586 Q588 A619 Q621	F16-Y19 HydrophobicContact CE1-CD2 4.34Å; F16-Y19 HydrophobicContact CE1-CE2 4.2Å; F16-Y19 HydrophobicContact CZ-CD1 4.43Å; F16-Y19 HydrophobicContact CZ-CD2 4.03Å; F16-Y19 HydrophobicContact CZ-CE1 4.3Å; F16-Y19 AromaticContact CZ-CE2 3.9Å; F16-Y19 HydrophobicContact CZ-CE2 3.9Å; F16-Y19 HydrophobicContact CZ-CG 4.3Å; Y19-Q545 WeakPolarHBondContact CE2-O 3.45Å; Y19-Q545 PolarHBondContact OH-O 3.38Å; Y19-A546 HydrophobicContact CE2-CB 4.21Å; Y19-V550 HydrophobicContact CD2-CG2 3.89Å; Y19-V550 HydrophobicContact CE2-CG2 4.15Å; Y19-Y586 AromaticContact CD1-CD1 3.95Å; Y19-Y586 HydrophobicContact CD1-CD1 3.95Å; Y19-Y586 HydrophobicContact CD2-CD1 4.21Å; Y19-Y586 HydrophobicContact CE1-CD1 4.17Å; Y19-Y586 HydrophobicContact CE1-CG 4.39Å; Y19-Y586 HydrophobicContact CE2-CD1 4.4Å; Y19-Y586 AromaticContact CG-CD1 3.97Å; Y19-Y586 HydrophobicContact CG-CD1 3.97Å; Y19-Q588 PolarHBondContact OH-NE2 2.8Å; Y19-A619 CarbonylContact C-O 3.6Å; Y19-A619 VanDerWaalsContact CA-O 3.28Å; Y19-A619 WeakPolarHBondContact CA-O 3.37Å; Y19-A619 HydrophobicContact CD1-CB 3.91Å; Y19-A619 HydrophobicContact CE1-CB 3.91Å; Y19-Q621 PolarHBondContact O-NE2 2.79Å
20	K	89.1	Confident	89.9	Confident	93 Å²	93	77.7 Å²	77.7	40%	0.404	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.3	172.3	-58	-57.1	-177.4	-161	0	110.5	S18 S22 V618 A619 S620 Q621	S18-K20 PolarHBondContact OG-NZ 3.38Å; S18-K20 VanDerWaalsContact OG-NZ 3.13Å; K20-S22 PolarHBondContact O-N 2.88Å; K20-S22 VanDerWaalsContact O-N 3.17Å; K20-V618 HydrophobicContact CG-CB 4.04Å; K20-V618 HydrophobicContact CG-CG1 4.25Å; K20-V618 HydrophobicContact CG-CG2 4.36Å; K20-A619 PolarHBondContact N-O 3.24Å; K20-S620 CarbonylContact O-C 3.49Å; K20-S620 WeakPolarHBondContact O-CA 3.41Å; K20-Q621 PolarHBondContact O-N 3.49Å
21	L	89.1	Confident	90.2	Very high	99 Å²	99	73.8 Å²	73.8	52%	0.518	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	114.9	175.6	-178	66	0	0	0	109.8	Q621 V623	L21-Q621 HydrophobicContact CB-CG 4.3Å; L21-Q621 HydrophobicContact CD1-CG 4.2Å; L21-V623 HydrophobicContact CD1-CG2 3.82Å
22	S	87.7	Confident	90.3	Very high	28 Å²	28	75 Å²	75	20%	0.196	39%	0.392	C	S	.	.			trans	-74.4	131.7	168.8	175.6	0	0	0	0	109.4	K20 L24 Q621 H622	K20-S22 PolarHBondContact O-N 2.88Å; K20-S22 VanDerWaalsContact O-N 3.17Å; S22-L24 VanDerWaalsContact C-N 3.29Å; S22-L24 WeakPolarHBondContact OG-CB 3.42Å; S22-L24 PolarHBondContact OG-N 2.85Å; S22-Q621 WeakPolarHBondContact CB-O 3.39Å; S22-Q621 PolarHBondContact N-O 3.32Å; S22-H622 VanDerWaalsContact CB-CD2 3.45Å; S22-H622 WeakPolarHBondContact CB-CD2 3.4Å; S22-H622 WeakPolarHBondContact CB-NE2 3.34Å; S22-H622 PolarHBondContact OG-CD2 3.1Å; S22-H622 PolarHBondContact OG-NE2 3.13Å
23	L	87	Confident	90.2	Very high	155 Å²	155	73.5 Å²	73.5	81%	0.812	39%	0.385	S	S	*	.			trans	-89.1	1.5	174.6	-58.6	180	0	0	0	112.3	K25	L23-K25 PolarHBondContact O-N 2.89Å
24	L	86.4	Confident	89.9	Confident	135 Å²	135	78.1 Å²	78.1	71%	0.707	41%	0.405	S	S	*	.			trans	-63	128.2	175.1	-66	173.6	0	0	0	109.5	S22 I26	S22-L24 VanDerWaalsContact C-N 3.29Å; S22-L24 WeakPolarHBondContact OG-CB 3.42Å; S22-L24 PolarHBondContact OG-N 2.85Å; L24-I26 PolarHBondContact O-N 3.23Å
25	K	88.6	Confident	89.9	Confident	200 Å²	200	77.8 Å²	77.8	87%	0.87	40%	0.397	S	S	*	.			trans	-80.4	112.1	176.5	-69.4	-173.5	179.1	-177.5	0	108.9	L23 P27	L23-K25 PolarHBondContact O-N 2.89Å; K25-P27 WeakPolarHBondContact O-CD 3.28Å
26	I	93.7	Very high	90	Very high	23 Å²	23	75.7 Å²	75.7	12%	0.118	39%	0.39	C	S	.	.			trans	-72.7	120.5	171.1	-69.4	171.2	0	0	0	108.5	L24 I585 H622 V624 L656 L658	L24-I26 PolarHBondContact O-N 3.23Å; I26-I585 HydrophobicContact CD1-CD1 3.92Å; I26-H622 HydrophobicContact CD1-CB 3.44Å; I26-H622 VanDerWaalsContact CD1-CB 3.44Å; I26-V624 HydrophobicContact CB-CG2 3.8Å; I26-V624 HydrophobicContact CD1-CG2 3.65Å; I26-V624 HydrophobicContact CG1-CG2 4.25Å; I26-V624 HydrophobicContact CG2-CG2 4.06Å; I26-L656 HydrophobicContact CG2-CB 3.86Å; I26-L656 HydrophobicContact CG2-CG 4.22Å; I26-L658 HydrophobicContact CD1-CD2 3.54Å; I26-L658 HydrophobicContact CG1-CD2 4.18Å; I26-L658 HydrophobicContact CG2-CD2 4.15Å
27	P	94.8	Very high	90.3	Very high	44 Å²	44	74.3 Å²	74.3	29%	0.286	38%	0.384	S	S	.	.			trans	-67.2	140.2	175.9	29	-35.3	0	0	0	110.9	K25 Y29 S657	K25-P27 WeakPolarHBondContact O-CD 3.28Å; P27-Y29 HydrophobicContact CB-CE2 3.73Å; P27-Y29 HydrophobicContact CG-CE2 3.91Å; P27-S657 WeakPolarHBondContact CD-O 3.38Å; P27-S657 PolarHBondContact O-N 2.84Å
28	I	96	Very high	90.4	Very high	61 Å²	61	70.3 Å²	70.3	31%	0.313	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.6	176.1	-55.2	173.1	0	0	0	107.4	V624 Y654 L656	I28-V624 HydrophobicContact CD1-CG1 3.62Å; I28-V624 HydrophobicContact CG1-CG1 3.92Å; I28-Y654 HydrophobicContact CG2-CD1 3.76Å; I28-Y654 HydrophobicContact CG2-CG 4.4Å; I28-L656 HydrophobicContact CG1-CG 4.44Å
29	Y	96.9	Very high	90.3	Very high	67 Å²	67	69.6 Å²	69.6	26%	0.263	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.5	172.2	-56.9	-88.5	0	0	0	108.8	P27 P88 Q89 F91 Y654 L655	P27-Y29 HydrophobicContact CB-CE2 3.73Å; P27-Y29 HydrophobicContact CG-CE2 3.91Å; Y29-P88 WeakPolarHBondContact CD1-O 3.44Å; Y29-P88 HydrophobicContact CD2-CB 3.64Å; Y29-P88 HydrophobicContact CE1-CB 4.24Å; Y29-P88 HydrophobicContact CE2-CB 3.18Å; Y29-P88 HydrophobicContact CE2-CG 4.25Å; Y29-P88 HydrophobicContact CG-CB 4.34Å; Y29-Q89 HydrophobicContact CD1-CB 4.43Å; Y29-Q89 VanDerWaalsContact CE1-CA 3.48Å; Y29-Q89 HydrophobicContact CE1-CB 3.9Å; Y29-F91 WeakPolarHBondContact O-CD1 3.48Å; Y29-Y654 CarbonylContact O-C 2.98Å; Y29-Y654 VanDerWaalsContact O-CA 3.28Å; Y29-Y654 WeakPolarHBondContact O-CA 3.45Å; Y29-L655 PolarHBondContact N-O 3.38Å; Y29-L655 PolarHBondContact O-N 2.89Å
30	E	96.2	Very high	89.5	Confident	127 Å²	127	72.3 Å²	72.3	59%	0.593	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	147	-174.4	65.8	-177.6	-168.1	0	0	112.1	T652 L653 Y654	E30-T652 HydrophobicContact CB-CG2 4.23Å; E30-L653 CarbonylContact C-O 3.38Å; E30-L653 VanDerWaalsContact CA-O 3.31Å; E30-L653 WeakPolarHBondContact CA-O 3.41Å; E30-Y654 HydrophobicContact CB-CD1 3.85Å; E30-Y654 HydrophobicContact CB-CE1 3.85Å
31	A	96.4	Very high	88.5	Confident	11 Å²	11	72.2 Å²	72.2	9%	0.091	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	119.5	172	0	0	0	0	0	109.8	F91 N92 Q93 L653	A31-F91 HydrophobicContact CB-CD1 4.13Å; A31-F91 HydrophobicContact CB-CE1 4.02Å; A31-N92 VanDerWaalsContact CB-C 3.43Å; A31-Q93 HydrophobicContact CB-CB 4.36Å; A31-L653 HydrophobicContact CB-CB 4.43Å; A31-L653 PolarHBondContact N-O 2.68Å; A31-L653 PolarHBondContact O-N 2.75Å
32	S	93.9	Very high	87.5	Confident	89 Å²	89	68.9 Å²	68.9	62%	0.622	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.4	175.2	-52.7	0	0	0	0	110.5	Q93	S32-Q93 PolarHBondContact O-OE1 3.16Å
33	S	87.4	Confident	86.1	Confident	11 Å²	11	73.1 Å²	73.1	8%	0.077	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-87	116.1	176.3	-177.5	0	0	0	0	110.4	G36 Y72 S651	S33-G36 PolarHBondContact O-N 3.25Å; S33-Y72 PolarHBondContact OG-OH 2.85Å; S33-S651 PolarHBondContact N-O 2.88Å
34	Q	83.2	Confident	85.1	Confident	129 Å²	129	73.6 Å²	73.6	60%	0.603	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	136.2	169.4	-64.3	174.8	-2.8	0	0	109.9	G36 K74	Q34-G36 PolarHBondContact O-N 2.86Å; Q34-K74 VanDerWaalsContact O-CE 3.23Å; Q34-K74 WeakPolarHBondContact O-CE 3.42Å; Q34-K74 PolarHBondContact O-NZ 3.43Å
35	N	85	Confident	83.9	Confident	107 Å²	107	70.9 Å²	70.9	57%	0.572	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	6.9	-173.9	-56.4	-19.9	0	0	0	115.7	T75 D76	N35-T75 WeakPolarHBondContact O-CB 3.46Å; N35-T75 WeakPolarHBondContact O-CG2 3.27Å; N35-T75 PolarHBondContact O-OG1 3.34Å; N35-D76 PolarHBondContact ND2-OD2 3.47Å
36	G	90.1	Very high	83	Confident	15 Å²	15	64.1 Å²	64.1	16%	0.155	35%	0.351	C	S	.	.			trans	66.6	165.7	177.8	0	0	0	0	0	114.9	S33 Q34 K74 T75 Q650	S33-G36 PolarHBondContact O-N 3.25Å; Q34-G36 PolarHBondContact O-N 2.86Å; G36-K74 WeakPolarHBondContact O-CA 3.22Å; G36-T75 PolarHBondContact O-N 3.4Å; G36-Q650 CarbonylContact C-O 3.51Å; G36-Q650 WeakPolarHBondContact CA-O 3.14Å
37	I	92.7	Very high	82.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-95.2	134	-178	-59.4	-175.8	0	0	0	109.1	C39 C59 Y72 I633 C648 T649 Q650 L653	I37-C39 PolarHBondContact O-N 3.36Å; I37-C39 VanDerWaalsContact O-N 3.1Å; I37-C59 HydrophobicContact CG2-CB 4.08Å; I37-Y72 HydrophobicContact CB-CD2 4.42Å; I37-Y72 HydrophobicContact CD1-CD2 4.14Å; I37-Y72 HydrophobicContact CD1-CE2 4.13Å; I37-Y72 HydrophobicContact CG1-CD2 3.89Å; I37-Y72 HydrophobicContact CG1-CE2 3.75Å; I37-Y72 HydrophobicContact CG2-CD2 4.02Å; I37-I633 HydrophobicContact CB-CD1 4Å; I37-I633 HydrophobicContact CG2-CD1 3.8Å; I37-C648 HydrophobicContact CD1-CB 3.63Å; I37-T649 WeakPolarHBondContact CD1-O 3.48Å; I37-Q650 PolarHBondContact N-O 3.38Å; I37-L653 HydrophobicContact CD1-CD2 3.91Å; I37-L653 HydrophobicContact CD1-CG 3.99Å
38	C	89	Confident	82.1	Confident	28 Å²	28	66.3 Å²	66.3	19%	0.189	36%	0.358	C	S	.	.			trans	-69.9	106	180	-168.8	0	0	0	0	110.2	C59 M73	C38-C59 PolarHBondContact O-SG 3.28Å; C38-M73 HydrophobicContact CB-CB 3.92Å; C38-M73 WeakPolarHBondContact CB-O 3.36Å; C38-M73 PolarHBondContact N-O 2.57Å
39	C	84.3	Confident	81.8	Confident	25 Å²	25	63.9 Å²	63.9	17%	0.169	35%	0.345	C	S	.	.			trans	-145.7	125.1	167.6	-178.3	0	0	0	0	107.5	I37 C59 I633	I37-C39 PolarHBondContact O-N 3.36Å; I37-C39 VanDerWaalsContact O-N 3.1Å; C39-C59 VanDerWaalsContact CB-SG 3.54Å; C39-I633 HydrophobicContact CB-CB 4Å; C39-I633 HydrophobicContact CB-CD1 3.51Å; C39-I633 HydrophobicContact CB-CG1 4.34Å; C39-I633 HydrophobicContact CB-CG2 4.06Å; C39-I633 VanDerWaalsContact SG-CG2 3.6Å
40	K	72.9	Confident	81.3	Confident	71 Å²	71	61.1 Å²	61.1	31%	0.309	33%	0.334	S	S	.	.			trans	-103.5	117.7	171.3	-80.2	-154.9	166.3	-159.8	0	110.1	P106 S107	K40-P106 HydrophobicContact CD-CB 3.9Å; K40-P106 HydrophobicContact CD-CG 3.77Å; K40-P106 VanDerWaalsContact CE-CG 3.42Å; K40-P106 HydrophobicContact CG-CG 4.48Å; K40-P106 VanDerWaalsContact NZ-C 3.27Å; K40-P106 PolarHBondContact NZ-O 2.79Å; K40-S107 PolarHBondContact NZ-O 3.37Å
41	P	67.2	Low	80.7	Confident	92 Å²	92	58.5 Å²	58.5	60%	0.597	32%	0.324	S	S	*	.			trans	-65.9	147.3	168.9	28.2	-31.8	0	0	0	110.1	N43	P41-N43 PolarHBondContact O-N 3.24Å
42	L	67.3	Low	80.3	Confident	28 Å²	28	61.1 Å²	61.1	15%	0.147	33%	0.333	C	S	.	.			trans	-70.5	106.1	166.2	-75.6	169.4	0	0	0	108.5	V45 L51 Y54 N55 F111	L42-V45 HydrophobicContact CB-CG2 4.39Å; L42-L51 HydrophobicContact CD1-CD1 4.17Å; L42-Y54 HydrophobicContact CD2-CD2 4.35Å; L42-Y54 HydrophobicContact CD2-CG 4.43Å; L42-N55 HydrophobicContact CD1-CB 4.02Å; L42-F111 HydrophobicContact CD2-CD1 3.27Å; L42-F111 HydrophobicContact CD2-CE1 3.13Å; L42-F111 HydrophobicContact CD2-CG 4.43Å; L42-F111 HydrophobicContact CD2-CZ 4.21Å
43	N	59.6	Low	80	Confident	118 Å²	118	57.1 Å²	57.1	63%	0.631	31%	0.305	S	S	*	.	S	Bend	trans	-79	-33.2	178.1	-70	-8.2	0	0	0	112.4	P41	P41-N43 PolarHBondContact O-N 3.24Å
44	E	64.7	Low	79.9	Confident	164 Å²	164	57.1 Å²	57.1	77%	0.766	30%	0.304	S	S	*	.	S	Bend	trans	-133.2	124.2	176.4	-66.6	-175.6	176.3	0	0	108.7
45	V	61.4	Low	79.8	Confident	79 Å²	79	54 Å²	54	48%	0.479	29%	0.291	S	S	.	.			trans	-96.1	113	-177.4	-178.7	0	0	0	0	109.2	L42 S47 L51	L42-V45 HydrophobicContact CB-CG2 4.39Å; V45-S47 WeakPolarHBondContact CG1-O 3.18Å; V45-L51 HydrophobicContact CG1-CB 3.91Å; V45-L51 HydrophobicContact CG1-CD1 4.33Å; V45-L51 HydrophobicContact CG2-CD1 3.95Å
46	S	71	Confident	79.4	Confident	57 Å²	57	52.7 Å²	52.7	40%	0.399	28%	0.284	S	S	.	.			trans	-79.8	-27.1	-178.9	-39	0	0	0	0	113.2	Y204	S46-Y204 WeakPolarHBondContact O-CE2 3.13Å
47	S	84.1	Confident	79.3	Confident	15 Å²	15	53.8 Å²	53.8	11%	0.105	29%	0.286	C	S	.	.			trans	-165.5	167.4	177.2	74.9	0	0	0	0	113.4	V45 Q49 H50 L51 Y204	V45-S47 WeakPolarHBondContact CG1-O 3.18Å; S47-Q49 VanDerWaalsContact CB-OE1 3.24Å; S47-Q49 PolarHBondContact O-N 2.76Å; S47-Q49 PolarHBondContact OG-N 3.17Å; S47-Q49 PolarHBondContact OG-OE1 2.88Å; S47-H50 WeakPolarHBondContact O-CB 3.23Å; S47-H50 PolarHBondContact O-N 3.32Å; S47-H50 VanDerWaalsContact O-N 3.16Å; S47-H50 PolarHBondContact OG-N 3.34Å; S47-H50 PolarHBondContact OG-ND1 2.85Å; S47-L51 PolarHBondContact O-N 3.01Å; S47-Y204 VanDerWaalsContact CB-CD2 3.44Å
48	K	84.9	Confident	79.4	Confident	99 Å²	99	56.2 Å²	56.2	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-55.3	-37.7	171.7	-174.9	-178.4	178.6	-172.5	0	111.8	L51 K52 E253	K48-L51 PolarHBondContact O-N 2.77Å; K48-K52 WeakPolarHBondContact O-CG 3.23Å; K48-K52 PolarHBondContact O-N 3.47Å; K48-E253 WeakPolarHBondContact CE-OE1 3.42Å; K48-E253 IonicContact NZ-OE1 3.3Å; K48-E253 PolarHBondContact NZ-OE1 3.28Å; K48-E253 IonicContact NZ-OE2 3.38Å; K48-E253 PolarHBondContact NZ-OE2 3.28Å
49	Q	88.7	Confident	79.7	Confident	9 Å²	9	55.6 Å²	55.6	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-40.7	178.1	-57.3	96.4	-26.9	0	0	112	S47 L51 K52 A53 V187 S202 Y204 S233 F235	S47-Q49 VanDerWaalsContact CB-OE1 3.24Å; S47-Q49 PolarHBondContact O-N 2.76Å; S47-Q49 PolarHBondContact OG-N 3.17Å; S47-Q49 PolarHBondContact OG-OE1 2.88Å; Q49-L51 VanDerWaalsContact C-N 3.35Å; Q49-K52 PolarHBondContact O-N 2.95Å; Q49-A53 VanDerWaalsContact O-CB 3.28Å; Q49-A53 WeakPolarHBondContact O-CB 3.36Å; Q49-A53 PolarHBondContact O-N 3.19Å; Q49-V187 HydrophobicContact CB-CG1 3.8Å; Q49-V187 HydrophobicContact CB-CG2 3.98Å; Q49-S202 PolarHBondContact NE2-OG 2.81Å; Q49-S202 VanDerWaalsContact NE2-OG 3.08Å; Q49-S202 PolarHBondContact OE1-OG 3.16Å; Q49-S202 VanDerWaalsContact OE1-OG 3.07Å; Q49-Y204 PolarHBondContact NE2-O 2.87Å; Q49-S233 PolarHBondContact NE2-O 3.28Å; Q49-F235 HydrophobicContact CB-CB 4.44Å
50	H	86.8	Confident	80.3	Confident	10 Å²	10	54.5 Å²	54.5	5%	0.046	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-42.7	173.5	-74.2	89.2	0	0	0	111.8	S47 K52 A53 Y54 F111 V187 Y204	S47-H50 WeakPolarHBondContact O-CB 3.23Å; S47-H50 PolarHBondContact O-N 3.32Å; S47-H50 VanDerWaalsContact O-N 3.16Å; S47-H50 PolarHBondContact OG-N 3.34Å; S47-H50 PolarHBondContact OG-ND1 2.85Å; H50-K52 PolarHBondContact O-N 2.95Å; H50-A53 PolarHBondContact O-N 3.21Å; H50-Y54 HydrophobicContact CB-CD2 4.42Å; H50-Y54 AromaticContact CD2-CE2 3.78Å; H50-Y54 VanDerWaalsContact O-CD2 3.31Å; H50-Y54 WeakPolarHBondContact O-CD2 3.38Å; H50-Y54 PolarHBondContact O-N 3.03Å; H50-F111 AromaticContact CD2-CD2 3.56Å; H50-F111 AromaticContact CD2-CE2 3.22Å; H50-F111 WeakPolarHBondContact CD2-CE2 3.4Å; H50-F111 AromaticContact CD2-CZ 3.83Å; H50-F111 AromaticContact NE2-CD2 3.97Å; H50-F111 AromaticContact NE2-CE2 3.59Å; H50-V187 VanDerWaalsContact CE1-CG1 3.42Å; H50-V187 WeakPolarHBondContact CE1-CG1 3.47Å; H50-Y204 AromaticContact CE1-CD1 3.45Å; H50-Y204 VanDerWaalsContact CE1-CD1 3.45Å; H50-Y204 WeakPolarHBondContact CE1-CD1 3.22Å; H50-Y204 AromaticContact CE1-CE1 3.5Å; H50-Y204 AromaticContact CE1-CG 4Å
51	L	84.6	Confident	81.4	Confident	71 Å²	71	52.5 Å²	52.5	37%	0.372	28%	0.282	S	S	.	.	H	α-helix	trans	-58.9	-49.2	176.6	-170.9	70.9	0	0	0	110.9	L42 V45 S47 K48 Q49 A53 N55	L42-L51 HydrophobicContact CD1-CD1 4.17Å; V45-L51 HydrophobicContact CG1-CB 3.91Å; V45-L51 HydrophobicContact CG1-CD1 4.33Å; V45-L51 HydrophobicContact CG2-CD1 3.95Å; S47-L51 PolarHBondContact O-N 3.01Å; K48-L51 PolarHBondContact O-N 2.77Å; Q49-L51 VanDerWaalsContact C-N 3.35Å; L51-A53 VanDerWaalsContact C-N 3.35Å; L51-A53 PolarHBondContact O-N 3.06Å; L51-N55 HydrophobicContact CD1-CB 3.84Å; L51-N55 HydrophobicContact CG-CB 4.21Å; L51-N55 WeakPolarHBondContact O-CB 3.04Å; L51-N55 PolarHBondContact O-N 2.79Å
52	K	87.8	Confident	82.8	Confident	67 Å²	67	49.1 Å²	49.1	29%	0.291	26%	0.26	S	S	.	.	H	α-helix	trans	-62.5	-40.4	177.4	-74	-77.9	-175.9	167.8	0	112.4	K48 Q49 H50 F235 E237	K48-K52 WeakPolarHBondContact O-CG 3.23Å; K48-K52 PolarHBondContact O-N 3.47Å; Q49-K52 PolarHBondContact O-N 2.95Å; H50-K52 PolarHBondContact O-N 2.95Å; K52-F235 HydrophobicContact CB-CB 3.69Å; K52-F235 HydrophobicContact CB-CD1 3.82Å; K52-F235 HydrophobicContact CB-CG 3.85Å; K52-F235 HydrophobicContact CG-CB 4.4Å; K52-E237 WeakPolarHBondContact CE-OE1 3.28Å; K52-E237 IonicContact NZ-OE1 3.31Å; K52-E237 PolarHBondContact NZ-OE1 2.89Å; K52-E237 IonicContact NZ-OE2 2.82Å
53	A	87.8	Confident	84.1	Confident	4 Å²	4	48.3 Å²	48.3	3%	0.033	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-47	-179.8	0	0	0	0	0	112.6	Q49 H50 L51 Q163 V187 F235	Q49-A53 VanDerWaalsContact O-CB 3.28Å; Q49-A53 WeakPolarHBondContact O-CB 3.36Å; Q49-A53 PolarHBondContact O-N 3.19Å; H50-A53 PolarHBondContact O-N 3.21Å; L51-A53 VanDerWaalsContact C-N 3.35Å; L51-A53 PolarHBondContact O-N 3.06Å; A53-Q163 PolarHBondContact O-NE2 2.9Å; A53-Q163 PolarHBondContact O-OE1 3.4Å; A53-V187 HydrophobicContact CB-CG2 3.97Å; A53-F235 HydrophobicContact CB-CD2 3.86Å; A53-F235 HydrophobicContact CB-CE2 3.41Å; A53-F235 VanDerWaalsContact CB-CE2 3.41Å; A53-F235 HydrophobicContact CB-CZ 3.88Å
54	Y	84.1	Confident	85.8	Confident	12 Å²	12	42.8 Å²	42.8	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-115.3	-14.8	-164.7	-53	-76	0	0	0	115.1	L42 H50 I57 F111 D161 Q163	L42-Y54 HydrophobicContact CD2-CD2 4.35Å; L42-Y54 HydrophobicContact CD2-CG 4.43Å; H50-Y54 HydrophobicContact CB-CD2 4.42Å; H50-Y54 AromaticContact CD2-CE2 3.78Å; H50-Y54 VanDerWaalsContact O-CD2 3.31Å; H50-Y54 WeakPolarHBondContact O-CD2 3.38Å; H50-Y54 PolarHBondContact O-N 3.03Å; Y54-I57 HydrophobicContact CD1-CD1 4.01Å; Y54-I57 WeakPolarHBondContact O-CD1 3.37Å; Y54-F111 HydrophobicContact CD1-CB 3.81Å; Y54-F111 HydrophobicContact CD2-CB 3.78Å; Y54-F111 HydrophobicContact CD2-CD1 4.12Å; Y54-F111 HydrophobicContact CD2-CD2 4.39Å; Y54-F111 AromaticContact CD2-CG 3.84Å; Y54-F111 HydrophobicContact CD2-CG 3.84Å; Y54-F111 HydrophobicContact CE1-CB 3.54Å; Y54-F111 VanDerWaalsContact CE1-O 3.24Å; Y54-F111 WeakPolarHBondContact CE1-O 3.33Å; Y54-F111 HydrophobicContact CE2-CB 3.52Å; Y54-F111 HydrophobicContact CE2-CD1 4.45Å; Y54-F111 AromaticContact CE2-CD2 3.95Å; Y54-F111 HydrophobicContact CE2-CD2 3.95Å; Y54-F111 AromaticContact CE2-CG 3.72Å; Y54-F111 HydrophobicContact CE2-CG 3.72Å; Y54-F111 HydrophobicContact CG-CB 3.94Å; Y54-F111 HydrophobicContact CG-CD1 4.47Å; Y54-F111 HydrophobicContact CG-CG 4.35Å; Y54-D161 PolarHBondContact OH-O 2.77Å; Y54-Q163 HydrophobicContact CE1-CG 4.33Å
55	N	81	Confident	87.2	Confident	64 Å²	64	37.5 Å²	37.5	34%	0.342	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-34.4	179.8	-168.3	63.8	0	0	0	113.1	L42 L51 R558	L42-N55 HydrophobicContact CD1-CB 4.02Å; L51-N55 HydrophobicContact CD1-CB 3.84Å; L51-N55 HydrophobicContact CG-CB 4.21Å; L51-N55 WeakPolarHBondContact O-CB 3.04Å; L51-N55 PolarHBondContact O-N 2.79Å; N55-R558 PolarHBondContact O-NH2 3.15Å; N55-R558 VanDerWaalsContact O-NH2 3.08Å
56	N	78.2	Confident	88.7	Confident	78 Å²	78	36.2 Å²	36.2	42%	0.417	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	19.2	-170.6	-63.6	-12.9	0	0	0	112.7	N58	N56-N58 PolarHBondContact O-N 3.2Å
57	I	88	Confident	89.8	Confident	38 Å²	38	33.7 Å²	33.7	20%	0.195	17%	0.173	C	C	.	.			trans	-61.2	126.9	172.8	-66.4	160.8	0	0	0	108.4	Y54 S113	Y54-I57 HydrophobicContact CD1-CD1 4.01Å; Y54-I57 WeakPolarHBondContact O-CD1 3.37Å; I57-S113 VanDerWaalsContact CD1-CB 3.49Å; I57-S113 WeakPolarHBondContact CD1-OG 3.33Å
58	N	93.7	Very high	90.4	Very high	51 Å²	51	34 Å²	34	27%	0.273	18%	0.176	S	C	.	.			trans	-94.9	112.4	175	-173	-10	0	0	0	109	N56 L60 F559 G634 F635	N56-N58 PolarHBondContact O-N 3.2Å; N58-L60 PolarHBondContact O-N 2.96Å; N58-L60 PolarHBondContact OD1-N 2.87Å; N58-L60 VanDerWaalsContact OD1-N 3.1Å; N58-L60 PolarHBondContact OD1-O 3.36Å; N58-F559 HydrophobicContact CB-CD1 4.49Å; N58-F559 HydrophobicContact CB-CE1 3.99Å; N58-G634 WeakPolarHBondContact OD1-CA 3.48Å; N58-F635 PolarHBondContact ND2-O 2.8Å; N58-F635 PolarHBondContact OD1-N 2.81Å
59	C	94.7	Very high	90.9	Very high	15 Å²	15	31.3 Å²	31.3	10%	0.101	16%	0.164	C	C	.	.	S	Bend	trans	-70.3	-11.9	-178.8	-66.6	0	0	0	0	114	I37 C38 C39 Y72 I633	I37-C59 HydrophobicContact CG2-CB 4.08Å; C38-C59 PolarHBondContact O-SG 3.28Å; C39-C59 VanDerWaalsContact CB-SG 3.54Å; C59-Y72 WeakPolarHBondContact O-CB 3.44Å; C59-I633 PolarHBondContact N-O 2.65Å; C59-I633 VanDerWaalsContact N-O 3.09Å
60	L	97.1	Very high	91.3	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	16%	0.162	C	C	.	.			trans	-102	128.9	174.5	-63.9	-176.9	0	0	0	110	N58 V70 Y71 V636 L646 C648 L653	N58-L60 PolarHBondContact O-N 2.96Å; N58-L60 PolarHBondContact OD1-N 2.87Å; N58-L60 VanDerWaalsContact OD1-N 3.1Å; N58-L60 PolarHBondContact OD1-O 3.36Å; L60-V70 HydrophobicContact CB-CG1 4.11Å; L60-V70 HydrophobicContact CD2-CG1 4.25Å; L60-Y71 WeakPolarHBondContact CA-O 3.45Å; L60-V636 HydrophobicContact CB-CB 4.43Å; L60-V636 HydrophobicContact CB-CG2 3.62Å; L60-L646 HydrophobicContact CD1-CB 3.98Å; L60-C648 HydrophobicContact CD1-CB 4.25Å; L60-C648 HydrophobicContact CD2-CB 4.27Å; L60-C648 HydrophobicContact CG-CB 4.34Å; L60-L653 HydrophobicContact CD2-CD2 4.11Å
61	C	96.2	Very high	91.8	Very high	28 Å²	28	31 Å²	31	19%	0.189	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111.8	179	-69.5	0	0	0	0	109.7	Y71 I116 F118	C61-Y71 PolarHBondContact N-O 3.2Å; C61-Y71 PolarHBondContact O-N 2.82Å; C61-I116 HydrophobicContact CB-CB 4.02Å; C61-I116 HydrophobicContact CB-CD1 4.38Å; C61-I116 HydrophobicContact CB-CG2 4.17Å; C61-F118 HydrophobicContact CB-CE2 4.25Å
62	V	96.7	Very high	92.3	Very high	22 Å²	22	27.6 Å²	27.6	13%	0.133	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	135.9	175.7	63.2	0	0	0	0	110.7	P64 T67 V70 F118 V636	V62-P64 WeakPolarHBondContact O-CD 3.41Å; V62-T67 HydrophobicContact CG2-CG2 4.31Å; V62-V70 HydrophobicContact CB-CG2 4.35Å; V62-V70 HydrophobicContact CG2-CG2 4.22Å; V62-F118 WeakPolarHBondContact O-CE2 3.14Å; V62-V636 HydrophobicContact CB-CG1 3.76Å; V62-V636 HydrophobicContact CG1-CG1 4.14Å; V62-V636 HydrophobicContact CG2-CG1 4.31Å
63	N	95.7	Very high	92.6	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.053	13%	0.133	C	C	.	.			trans	-69.3	116.2	167.8	-178.8	-12.9	0	0	0	108.4	F65 D66 T67 H69 Y71 F118	N63-F65 PolarHBondContact O-N 2.66Å; N63-F65 WeakPolarHBondContact OD1-CB 3.29Å; N63-F65 WeakPolarHBondContact OD1-CD2 3.18Å; N63-F65 PolarHBondContact OD1-N 3.48Å; N63-D66 CarbonylContact O-C 3.55Å; N63-D66 PolarHBondContact O-N 2.89Å; N63-D66 VanDerWaalsContact O-O 3.09Å; N63-T67 PolarHBondContact O-N 2.82Å; N63-H69 HydrophobicContact CB-CB 4.1Å; N63-H69 PolarHBondContact N-O 3.08Å; N63-Y71 HydrophobicContact CB-CE2 4.19Å; N63-F118 HydrophobicContact CB-CD1 3.98Å; N63-F118 HydrophobicContact CB-CE1 3.77Å; N63-F118 HydrophobicContact CB-CG 4.45Å; N63-F118 HydrophobicContact CB-CZ 4.05Å
64	P	95	Very high	92.9	Very high	2 Å²	2	25 Å²	25	1%	0.013	13%	0.133	C	C	.	.	S	Bend	trans	-67.7	-21.4	-175.7	30.2	-37.9	0	0	0	113.4	V62 F118 R499 W503 V564	V62-P64 WeakPolarHBondContact O-CD 3.41Å; P64-F118 VanDerWaalsContact CD-CD2 3.43Å; P64-F118 HydrophobicContact CG-CB 4.16Å; P64-F118 HydrophobicContact CG-CD2 4.5Å; P64-R499 HydrophobicContact CB-CB 4.19Å; P64-W503 HydrophobicContact CB-CZ3 4.13Å; P64-W503 HydrophobicContact CG-CH2 3.8Å; P64-W503 HydrophobicContact CG-CZ3 3.57Å; P64-V564 HydrophobicContact CB-CG1 4.31Å
65	F	93.4	Very high	93.2	Very high	53 Å²	53	26.9 Å²	26.9	23%	0.232	15%	0.145	C	C	.	.	S	Bend	trans	-87.6	-26.8	-179.5	-55.5	-73.1	0	0	0	113.2	N63 F118 A120 L121 A501 W503	N63-F65 PolarHBondContact O-N 2.66Å; N63-F65 WeakPolarHBondContact OD1-CB 3.29Å; N63-F65 WeakPolarHBondContact OD1-CD2 3.18Å; N63-F65 PolarHBondContact OD1-N 3.48Å; F65-F118 HydrophobicContact CD2-CB 4.41Å; F65-F118 HydrophobicContact CE2-CB 4.26Å; F65-A120 WeakPolarHBondContact CE2-O 3.03Å; F65-L121 HydrophobicContact CB-CD1 3.43Å; F65-L121 VanDerWaalsContact CB-CD1 3.43Å; F65-L121 HydrophobicContact CG-CB 4.4Å; F65-L121 HydrophobicContact CG-CD1 4.2Å; F65-A501 WeakPolarHBondContact CD1-O 3.48Å; F65-W503 HydrophobicContact CD2-CH2 4.15Å; F65-W503 HydrophobicContact CE1-CD2 4.36Å; F65-W503 AromaticContact CE1-CE2 3.96Å; F65-W503 HydrophobicContact CE1-CE3 4.39Å; F65-W503 AromaticContact CE1-CH2 3.73Å; F65-W503 HydrophobicContact CE1-CH2 3.73Å; F65-W503 AromaticContact CE1-CZ2 3.75Å; F65-W503 HydrophobicContact CE1-CZ2 3.75Å; F65-W503 HydrophobicContact CE1-CZ3 4.05Å; F65-W503 AromaticContact CE2-CH2 3.2Å; F65-W503 HydrophobicContact CE2-CH2 3.2Å; F65-W503 AromaticContact CE2-CZ2 3.45Å; F65-W503 HydrophobicContact CE2-CZ2 3.45Å; F65-W503 VanDerWaalsContact CE2-CZ2 3.45Å; F65-W503 HydrophobicContact CE2-CZ3 4.13Å; F65-W503 HydrophobicContact CZ-CD2 4.3Å; F65-W503 AromaticContact CZ-CE2 3.51Å; F65-W503 HydrophobicContact CZ-CE3 4.4Å; F65-W503 AromaticContact CZ-CH2 3.04Å; F65-W503 HydrophobicContact CZ-CH2 3.04Å; F65-W503 AromaticContact CZ-CZ2 2.91Å; F65-W503 HydrophobicContact CZ-CZ2 2.91Å; F65-W503 AromaticContact CZ-CZ3 3.82Å; F65-W503 HydrophobicContact CZ-CZ3 3.82Å
66	D	93.4	Very high	93.7	Very high	53 Å²	53	26.3 Å²	26.3	28%	0.283	14%	0.142	S	C	.	.	S	Bend	trans	-138.2	92.3	173.5	-168.1	-17.9	0	0	0	109.6	N63 S68 H69	N63-D66 CarbonylContact O-C 3.55Å; N63-D66 PolarHBondContact O-N 2.89Å; N63-D66 VanDerWaalsContact O-O 3.09Å; D66-S68 PolarHBondContact O-N 2.9Å; D66-S68 VanDerWaalsContact O-N 3.13Å; D66-S68 PolarHBondContact OD1-N 2.98Å; D66-S68 PolarHBondContact OD1-OG 3.15Å; D66-H69 WeakPolarHBondContact O-CB 3.43Å; D66-H69 PolarHBondContact O-N 2.99Å; D66-H69 IonicContact OD1-CE1 2.96Å; D66-H69 IonicContact OD1-ND1 3.35Å; D66-H69 PolarHBondContact OD1-ND1 2.94Å; D66-H69 IonicContact OD2-CE1 3.62Å; D66-H69 PolarHBondContact OD2-CE1 3.35Å; D66-H69 IonicContact OD2-ND1 3.34Å; D66-H69 PolarHBondContact OD2-ND1 3.05Å
67	T	94.8	Very high	94.4	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.025	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-4	-170.5	57.9	0	0	0	0	114	V62 N63 V564 T638 D639 K640	V62-T67 HydrophobicContact CG2-CG2 4.31Å; N63-T67 PolarHBondContact O-N 2.82Å; T67-V564 HydrophobicContact CG2-CB 4.17Å; T67-V564 HydrophobicContact CG2-CG1 3.52Å; T67-V564 HydrophobicContact CG2-CG2 3.51Å; T67-T638 WeakPolarHBondContact CB-OG1 3.45Å; T67-T638 WeakPolarHBondContact O-CB 3.2Å; T67-T638 PolarHBondContact O-OG1 3.29Å; T67-T638 PolarHBondContact OG1-OG1 3.17Å; T67-D639 PolarHBondContact OG1-OD1 2.91Å; T67-K640 WeakPolarHBondContact OG1-CB 3.37Å; T67-K640 WeakPolarHBondContact OG1-CG 3.45Å
68	S	95.1	Very high	94.7	Very high	22 Å²	22	21.1 Å²	21.1	15%	0.154	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-7.7	166.2	71.6	0	0	0	0	112.9	D66 V84	D66-S68 PolarHBondContact O-N 2.9Å; D66-S68 VanDerWaalsContact O-N 3.13Å; D66-S68 PolarHBondContact OD1-N 2.98Å; D66-S68 PolarHBondContact OD1-OG 3.15Å; S68-V84 WeakPolarHBondContact O-CG2 3.45Å; S68-V84 PolarHBondContact O-N 3.49Å
69	H	95.6	Very high	94.8	Very high	41 Å²	41	18.7 Å²	18.7	19%	0.19	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	115.8	179.6	-66.7	72.2	0	0	0	110.3	N63 D66 Y71 L81 N83	N63-H69 HydrophobicContact CB-CB 4.1Å; N63-H69 PolarHBondContact N-O 3.08Å; D66-H69 WeakPolarHBondContact O-CB 3.43Å; D66-H69 PolarHBondContact O-N 2.99Å; D66-H69 IonicContact OD1-CE1 2.96Å; D66-H69 IonicContact OD1-ND1 3.35Å; D66-H69 PolarHBondContact OD1-ND1 2.94Å; D66-H69 IonicContact OD2-CE1 3.62Å; D66-H69 PolarHBondContact OD2-CE1 3.35Å; D66-H69 IonicContact OD2-ND1 3.34Å; D66-H69 PolarHBondContact OD2-ND1 3.05Å; H69-Y71 HydrophobicContact CB-CE2 4.07Å; H69-L81 HydrophobicContact CB-CD1 3.66Å; H69-L81 VanDerWaalsContact CD2-CD1 3.49Å; H69-L81 WeakPolarHBondContact CD2-CD1 3.49Å; H69-N83 PolarHBondContact CD2-OD1 3.27Å; H69-N83 PolarHBondContact NE2-OD1 3.41Å
70	V	97.2	Very high	94.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.8	178.8	-178.4	0	0	0	0	109.6	L60 V62 I82 V84 V636 L646	L60-V70 HydrophobicContact CB-CG1 4.11Å; L60-V70 HydrophobicContact CD2-CG1 4.25Å; V62-V70 HydrophobicContact CB-CG2 4.35Å; V62-V70 HydrophobicContact CG2-CG2 4.22Å; V70-I82 HydrophobicContact CB-CB 4.39Å; V70-I82 PolarHBondContact N-O 3.43Å; V70-I82 WeakPolarHBondContact O-CB 3.44Å; V70-I82 PolarHBondContact O-N 3.03Å; V70-V84 HydrophobicContact CG2-CG2 4.47Å; V70-V636 HydrophobicContact CG2-CG1 4.39Å; V70-L646 HydrophobicContact CB-CD2 4.13Å; V70-L646 HydrophobicContact CG1-CD2 4.31Å; V70-L646 HydrophobicContact CG2-CD2 4.05Å
71	Y	97.1	Very high	94.9	Very high	12 Å²	12	18.1 Å²	18.1	5%	0.047	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	148.3	-175	-66.5	-100	0	0	0	111.6	L60 C61 N63 H69 L79 V80 L81 V97 F118 L147	L60-Y71 WeakPolarHBondContact CA-O 3.45Å; C61-Y71 PolarHBondContact N-O 3.2Å; C61-Y71 PolarHBondContact O-N 2.82Å; N63-Y71 HydrophobicContact CB-CE2 4.19Å; H69-Y71 HydrophobicContact CB-CE2 4.07Å; Y71-L79 HydrophobicContact CD1-CD1 4.1Å; Y71-L79 HydrophobicContact CD1-CD2 4.34Å; Y71-L79 HydrophobicContact CD1-CG 4.2Å; Y71-V80 VanDerWaalsContact CA-O 3.27Å; Y71-V80 WeakPolarHBondContact CA-O 3.5Å; Y71-L81 HydrophobicContact CD1-CB 4.27Å; Y71-L81 HydrophobicContact CD1-CD1 4.49Å; Y71-L81 HydrophobicContact CD2-CD1 4.34Å; Y71-L81 HydrophobicContact CE1-CB 3.92Å; Y71-L81 HydrophobicContact CE1-CD1 4Å; Y71-L81 HydrophobicContact CE1-CG 4.41Å; Y71-L81 HydrophobicContact CE2-CD1 3.82Å; Y71-V97 HydrophobicContact CE1-CG2 4.26Å; Y71-F118 AromaticContact CD2-CE1 3.66Å; Y71-F118 HydrophobicContact CD2-CE1 3.66Å; Y71-F118 AromaticContact CD2-CZ 3.49Å; Y71-F118 HydrophobicContact CD2-CZ 3.49Å; Y71-F118 VanDerWaalsContact CD2-CZ 3.49Å; Y71-F118 AromaticContact CE2-CE1 3.57Å; Y71-F118 HydrophobicContact CE2-CE1 3.57Å; Y71-F118 AromaticContact CE2-CZ 3.9Å; Y71-F118 HydrophobicContact CE2-CZ 3.9Å; Y71-F118 HydrophobicContact CG-CE1 4.45Å; Y71-F118 HydrophobicContact CG-CZ 4.22Å; Y71-L147 HydrophobicContact CE1-CD1 4.27Å
72	Y	96.2	Very high	94.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	163.6	170.3	76.5	-88.7	0	0	0	111.3	S33 I37 C59 K74 V80 I82 Q93 L653	S33-Y72 PolarHBondContact OG-OH 2.85Å; I37-Y72 HydrophobicContact CB-CD2 4.42Å; I37-Y72 HydrophobicContact CD1-CD2 4.14Å; I37-Y72 HydrophobicContact CD1-CE2 4.13Å; I37-Y72 HydrophobicContact CG1-CD2 3.89Å; I37-Y72 HydrophobicContact CG1-CE2 3.75Å; I37-Y72 HydrophobicContact CG2-CD2 4.02Å; C59-Y72 WeakPolarHBondContact O-CB 3.44Å; Y72-K74 HydrophobicContact CE2-CG 3.8Å; Y72-V80 HydrophobicContact CD1-CB 3.85Å; Y72-V80 HydrophobicContact CD1-CG1 4.07Å; Y72-V80 HydrophobicContact CD2-CB 4.47Å; Y72-V80 HydrophobicContact CE1-CB 3.46Å; Y72-V80 VanDerWaalsContact CE1-CB 3.46Å; Y72-V80 HydrophobicContact CE1-CG1 3.3Å; Y72-V80 HydrophobicContact CE1-CG2 4.18Å; Y72-V80 HydrophobicContact CE2-CB 4.14Å; Y72-V80 HydrophobicContact CE2-CG2 4.06Å; Y72-V80 HydrophobicContact CG-CB 4.35Å; Y72-V80 PolarHBondContact N-O 3.32Å; Y72-V80 VanDerWaalsContact N-O 3.1Å; Y72-V80 PolarHBondContact O-N 3.04Å; Y72-I82 HydrophobicContact CD1-CD1 3.7Å; Y72-I82 HydrophobicContact CD1-CG1 4Å; Y72-I82 HydrophobicContact CE1-CD1 3.76Å; Y72-I82 HydrophobicContact CE1-CG1 3.85Å; Y72-Q93 WeakPolarHBondContact CE1-O 3.37Å; Y72-Q93 PolarHBondContact OH-O 2.87Å; Y72-L653 HydrophobicContact CE1-CD1 3.75Å
73	M	94.7	Very high	94.8	Very high	9 Å²	9	18.5 Å²	18.5	4%	0.044	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.6	176.7	-68.7	-64.6	-63.3	0	0	111.4	C38 G77 S78 L79 L100 V114 I116 L126	C38-M73 HydrophobicContact CB-CB 3.92Å; C38-M73 WeakPolarHBondContact CB-O 3.36Å; C38-M73 PolarHBondContact N-O 2.57Å; M73-G77 WeakPolarHBondContact CE-O 3.08Å; M73-S78 WeakPolarHBondContact CA-O 3.31Å; M73-L79 HydrophobicContact SD-CB 3.75Å; M73-L79 HydrophobicContact SD-CD1 3.68Å; M73-L79 HydrophobicContact SD-CG 4.32Å; M73-L100 HydrophobicContact CE-CD1 3.68Å; M73-L100 HydrophobicContact CE-CG 4.39Å; M73-V114 HydrophobicContact CE-CG1 4.34Å; M73-V114 HydrophobicContact CG-CB 4.12Å; M73-V114 HydrophobicContact CG-CG1 3.7Å; M73-V114 HydrophobicContact SD-CG1 4.16Å; M73-I116 HydrophobicContact CG-CD1 4.24Å; M73-L126 HydrophobicContact SD-CD1 4.01Å
74	K	93.1	Very high	94.8	Very high	9 Å²	9	18.4 Å²	18.4	4%	0.039	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-85.8	160.2	168.2	-74.8	-178.7	169.2	-177.1	0	111.5	Q34 G36 Y72 D76 G77 S78 V80	Q34-K74 VanDerWaalsContact O-CE 3.23Å; Q34-K74 WeakPolarHBondContact O-CE 3.42Å; Q34-K74 PolarHBondContact O-NZ 3.43Å; G36-K74 WeakPolarHBondContact O-CA 3.22Å; Y72-K74 HydrophobicContact CE2-CG 3.8Å; K74-D76 VanDerWaalsContact CB-OD1 3.26Å; K74-D76 WeakPolarHBondContact CB-OD1 3.39Å; K74-D76 PolarHBondContact O-N 2.93Å; K74-G77 PolarHBondContact O-N 3.14Å; K74-G77 VanDerWaalsContact O-N 3.09Å; K74-S78 PolarHBondContact N-O 2.92Å; K74-V80 HydrophobicContact CD-CG2 3.83Å; K74-V80 HydrophobicContact CG-CG2 3.87Å
75	T	90.8	Very high	94.9	Very high	50 Å²	50	19.3 Å²	19.3	31%	0.307	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19	179	67.5	0	0	0	0	113.6	N35 G36 G77 W103	N35-T75 WeakPolarHBondContact O-CB 3.46Å; N35-T75 WeakPolarHBondContact O-CG2 3.27Å; N35-T75 PolarHBondContact O-OG1 3.34Å; G36-T75 PolarHBondContact O-N 3.4Å; T75-G77 VanDerWaalsContact C-N 3.31Å; T75-W103 PolarHBondContact O-NE1 3.38Å
76	D	91.3	Very high	94.9	Very high	52 Å²	52	22.7 Å²	22.7	28%	0.278	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	3.3	176.2	63.5	17.5	0	0	0	114.1	N35 K74 S78 W103	N35-D76 PolarHBondContact ND2-OD2 3.47Å; K74-D76 VanDerWaalsContact CB-OD1 3.26Å; K74-D76 WeakPolarHBondContact CB-OD1 3.39Å; K74-D76 PolarHBondContact O-N 2.93Å; D76-S78 WeakPolarHBondContact OD1-CB 3.28Å; D76-S78 PolarHBondContact OD1-N 2.7Å; D76-S78 PolarHBondContact OD1-OG 3.03Å; D76-W103 VanDerWaalsContact C-NE1 3.33Å
77	G	92.2	Very high	95	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	85	10.5	179.3	0	0	0	0	0	114.3	M73 K74 T75 L100 W103	M73-G77 WeakPolarHBondContact CE-O 3.08Å; K74-G77 PolarHBondContact O-N 3.14Å; K74-G77 VanDerWaalsContact O-N 3.09Å; T75-G77 VanDerWaalsContact C-N 3.31Å; G77-L100 PolarHBondContact O-N 3.21Å; G77-W103 VanDerWaalsContact CA-CE2 3.49Å; G77-W103 VanDerWaalsContact CA-CG 3.47Å
78	S	95	Very high	95	Very high	7 Å²	7	27.9 Å²	27.9	5%	0.049	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.7	174.4	-52	0	0	0	0	111.8	M73 K74 D76 F98 T99	M73-S78 WeakPolarHBondContact CA-O 3.31Å; K74-S78 PolarHBondContact N-O 2.92Å; D76-S78 WeakPolarHBondContact OD1-CB 3.28Å; D76-S78 PolarHBondContact OD1-N 2.7Å; D76-S78 PolarHBondContact OD1-OG 3.03Å; S78-F98 CarbonylContact C-O 3.48Å; S78-F98 WeakPolarHBondContact CA-O 3.47Å; S78-T99 PolarHBondContact OG-OG1 3.18Å
79	L	96.3	Very high	95	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	129.5	167.3	180	65.8	0	0	0	109.2	Y71 M73 V97 F98 I116 L136 L147	Y71-L79 HydrophobicContact CD1-CD1 4.1Å; Y71-L79 HydrophobicContact CD1-CD2 4.34Å; Y71-L79 HydrophobicContact CD1-CG 4.2Å; M73-L79 HydrophobicContact SD-CB 3.75Å; M73-L79 HydrophobicContact SD-CD1 3.68Å; M73-L79 HydrophobicContact SD-CG 4.32Å; L79-V97 HydrophobicContact CB-CG2 4.32Å; L79-V97 HydrophobicContact CD2-CG2 4.01Å; L79-V97 HydrophobicContact CG-CG2 3.86Å; L79-V97 WeakPolarHBondContact O-CG2 3.49Å; L79-V97 PolarHBondContact O-N 2.86Å; L79-F98 HydrophobicContact CB-CB 4.16Å; L79-F98 HydrophobicContact CD2-CB 4.32Å; L79-F98 PolarHBondContact N-O 2.93Å; L79-F98 PolarHBondContact O-N 3.42Å; L79-I116 HydrophobicContact CD1-CD1 3.67Å; L79-I116 HydrophobicContact CD1-CG1 4.42Å; L79-L136 HydrophobicContact CD2-CD1 3.88Å; L79-L147 HydrophobicContact CD2-CD1 3.89Å
80	V	96.3	Very high	95	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.2	-177.5	-177.6	0	0	0	0	109.8	Y71 Y72 K74 Q93 T95 I96	Y71-V80 VanDerWaalsContact CA-O 3.27Å; Y71-V80 WeakPolarHBondContact CA-O 3.5Å; Y72-V80 HydrophobicContact CD1-CB 3.85Å; Y72-V80 HydrophobicContact CD1-CG1 4.07Å; Y72-V80 HydrophobicContact CD2-CB 4.47Å; Y72-V80 HydrophobicContact CE1-CB 3.46Å; Y72-V80 VanDerWaalsContact CE1-CB 3.46Å; Y72-V80 HydrophobicContact CE1-CG1 3.3Å; Y72-V80 HydrophobicContact CE1-CG2 4.18Å; Y72-V80 HydrophobicContact CE2-CB 4.14Å; Y72-V80 HydrophobicContact CE2-CG2 4.06Å; Y72-V80 HydrophobicContact CG-CB 4.35Å; Y72-V80 PolarHBondContact N-O 3.32Å; Y72-V80 VanDerWaalsContact N-O 3.1Å; Y72-V80 PolarHBondContact O-N 3.04Å; K74-V80 HydrophobicContact CD-CG2 3.83Å; K74-V80 HydrophobicContact CG-CG2 3.87Å; V80-Q93 VanDerWaalsContact CG1-O 3.29Å; V80-Q93 WeakPolarHBondContact CG1-O 3.34Å; V80-T95 WeakPolarHBondContact CA-O 3.48Å; V80-T95 WeakPolarHBondContact CG1-O 3.26Å; V80-I96 HydrophobicContact CG2-CG1 4.06Å
81	L	96.2	Very high	95	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.3	170.3	167.6	59.6	0	0	0	109.8	H69 Y71 N83 G94 T95 V97 D145	H69-L81 HydrophobicContact CB-CD1 3.66Å; H69-L81 VanDerWaalsContact CD2-CD1 3.49Å; H69-L81 WeakPolarHBondContact CD2-CD1 3.49Å; Y71-L81 HydrophobicContact CD1-CB 4.27Å; Y71-L81 HydrophobicContact CD1-CD1 4.49Å; Y71-L81 HydrophobicContact CD2-CD1 4.34Å; Y71-L81 HydrophobicContact CE1-CB 3.92Å; Y71-L81 HydrophobicContact CE1-CD1 4Å; Y71-L81 HydrophobicContact CE1-CG 4.41Å; Y71-L81 HydrophobicContact CE2-CD1 3.82Å; L81-N83 WeakPolarHBondContact CD2-OD1 3.25Å; L81-N83 WeakPolarHBondContact CG-OD1 3.02Å; L81-G94 CarbonylContact O-C 3.6Å; L81-G94 WeakPolarHBondContact O-CA 3.28Å; L81-T95 PolarHBondContact N-O 3.46Å; L81-T95 PolarHBondContact O-N 3.05Å; L81-V97 HydrophobicContact CB-CG1 3.5Å; L81-V97 HydrophobicContact CB-CG2 4.29Å; L81-V97 HydrophobicContact CD2-CG1 4.23Å; L81-D145 HydrophobicContact CD2-CB 4.4Å
82	I	96.4	Very high	95	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	115.8	166.7	-57.9	171.8	0	0	0	107.6	V70 Y72 F91 L646 L653	V70-I82 HydrophobicContact CB-CB 4.39Å; V70-I82 PolarHBondContact N-O 3.43Å; V70-I82 WeakPolarHBondContact O-CB 3.44Å; V70-I82 PolarHBondContact O-N 3.03Å; Y72-I82 HydrophobicContact CD1-CD1 3.7Å; Y72-I82 HydrophobicContact CD1-CG1 4Å; Y72-I82 HydrophobicContact CE1-CD1 3.76Å; Y72-I82 HydrophobicContact CE1-CG1 3.85Å; I82-F91 HydrophobicContact CG2-CE2 3.85Å; I82-L646 HydrophobicContact CD1-CD2 4.4Å; I82-L646 HydrophobicContact CG2-CD2 4.05Å; I82-L653 HydrophobicContact CD1-CD1 3.75Å; I82-L653 HydrophobicContact CD1-CD2 3.72Å; I82-L653 HydrophobicContact CD1-CG 4.34Å
83	N	95.1	Very high	94.9	Very high	57 Å²	57	41 Å²	41	31%	0.305	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	108.9	165.3	-66.7	-29.7	0	0	0	107.8	H69 L81 P85	H69-N83 PolarHBondContact CD2-OD1 3.27Å; H69-N83 PolarHBondContact NE2-OD1 3.41Å; L81-N83 WeakPolarHBondContact CD2-OD1 3.25Å; L81-N83 WeakPolarHBondContact CG-OD1 3.02Å; N83-P85 VanDerWaalsContact O-CD 3.3Å; N83-P85 WeakPolarHBondContact O-CD 3.49Å; N83-P85 VanDerWaalsContact O-N 3.08Å
84	V	96.3	Very high	94.9	Very high	8 Å²	8	41.3 Å²	41.3	5%	0.048	21%	0.209	C	C	.	.			trans	-60.2	114.7	174.6	-176.2	0	0	0	0	107.5	S68 V70 P641 L646 L655	S68-V84 WeakPolarHBondContact O-CG2 3.45Å; S68-V84 PolarHBondContact O-N 3.49Å; V70-V84 HydrophobicContact CG2-CG2 4.47Å; V84-P641 HydrophobicContact CG1-CG 4.48Å; V84-L646 HydrophobicContact CG2-CD1 3.83Å; V84-L646 HydrophobicContact CG2-CD2 4.13Å; V84-L655 HydrophobicContact CG1-CD1 4.11Å; V84-L655 HydrophobicContact CG1-CD2 4.36Å
85	P	95.5	Very high	95	Very high	20 Å²	20	43.9 Å²	43.9	13%	0.13	23%	0.225	C	C	.	.			trans	-71.2	149.8	-170.8	30.3	-36.7	0	0	0	110.4	N83 Y87 N90 F91 Y642 L655	N83-P85 VanDerWaalsContact O-CD 3.3Å; N83-P85 WeakPolarHBondContact O-CD 3.49Å; N83-P85 VanDerWaalsContact O-N 3.08Å; P85-Y87 WeakPolarHBondContact CB-O 3.48Å; P85-Y87 VanDerWaalsContact CG-O 3.31Å; P85-Y87 WeakPolarHBondContact CG-O 3.5Å; P85-Y87 PolarHBondContact O-N 3.03Å; P85-Y87 VanDerWaalsContact O-N 3.16Å; P85-N90 HydrophobicContact CB-CB 4Å; P85-N90 HydrophobicContact CG-CB 4.39Å; P85-F91 HydrophobicContact CG-CB 4.39Å; P85-Y642 WeakPolarHBondContact O-CE1 3.41Å; P85-Y642 PolarHBondContact O-OH 2.82Å; P85-L655 HydrophobicContact CG-CD2 4.49Å
86	Q	95	Very high	95.2	Very high	124 Å²	124	44.9 Å²	44.9	58%	0.579	23%	0.228	S	C	*	.	S	Bend	trans	-57.3	-29.2	170.9	-176.2	60.4	55	0	0	112.6	Y642	Q86-Y642 WeakPolarHBondContact O-CE1 3.32Å
87	Y	95.3	Very high	95.4	Very high	148 Å²	148	42.5 Å²	42.5	58%	0.58	22%	0.216	S	C	*	.	S	Bend	trans	-115.8	110.6	177.8	-66	-67.5	0	0	0	109	P85 Q89 N90	P85-Y87 WeakPolarHBondContact CB-O 3.48Å; P85-Y87 VanDerWaalsContact CG-O 3.31Å; P85-Y87 WeakPolarHBondContact CG-O 3.5Å; P85-Y87 PolarHBondContact O-N 3.03Å; P85-Y87 VanDerWaalsContact O-N 3.16Å; Y87-Q89 PolarHBondContact O-N 2.78Å; Y87-N90 WeakPolarHBondContact O-CB 3.49Å; Y87-N90 PolarHBondContact O-N 3.41Å
88	P	95.2	Very high	95.5	Very high	18 Å²	18	43.7 Å²	43.7	12%	0.117	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-52.9	-31.8	-172.6	-23.3	24.3	0	0	0	115.1	Y29 N90 F91 Y642 L655	Y29-P88 WeakPolarHBondContact CD1-O 3.44Å; Y29-P88 HydrophobicContact CD2-CB 3.64Å; Y29-P88 HydrophobicContact CE1-CB 4.24Å; Y29-P88 HydrophobicContact CE2-CB 3.18Å; Y29-P88 HydrophobicContact CE2-CG 4.25Å; Y29-P88 HydrophobicContact CG-CB 4.34Å; P88-N90 PolarHBondContact O-N 3.41Å; P88-N90 VanDerWaalsContact O-N 3.12Å; P88-F91 VanDerWaalsContact O-CB 3.26Å; P88-F91 WeakPolarHBondContact O-CB 3.41Å; P88-F91 PolarHBondContact O-N 3.3Å; P88-F91 VanDerWaalsContact O-N 3.07Å; P88-Y642 VanDerWaalsContact CA-OH 3.29Å; P88-Y642 WeakPolarHBondContact CA-OH 3.43Å; P88-Y642 WeakPolarHBondContact CB-OH 3.41Å; P88-Y642 HydrophobicContact CG-CE1 3.96Å; P88-Y642 HydrophobicContact CG-CE2 4.11Å; P88-Y642 VanDerWaalsContact CG-OH 3.25Å; P88-Y642 WeakPolarHBondContact CG-OH 3.38Å; P88-L655 HydrophobicContact CB-CD2 4.45Å
89	Q	94.8	Very high	95.6	Very high	116 Å²	116	46.7 Å²	46.7	54%	0.542	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-63.6	-15.7	178.7	70.3	-85.9	21	0	0	114.7	Y29 Y87 F91	Y29-Q89 HydrophobicContact CD1-CB 4.43Å; Y29-Q89 VanDerWaalsContact CE1-CA 3.48Å; Y29-Q89 HydrophobicContact CE1-CB 3.9Å; Y87-Q89 PolarHBondContact O-N 2.78Å; Q89-F91 VanDerWaalsContact C-N 3.28Å
90	N	96	Very high	95.4	Very high	94 Å²	94	47 Å²	47	50%	0.503	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-90.9	9.2	177.4	-63.6	-18.7	0	0	0	112.6	P85 Y87 P88 N92	P85-N90 HydrophobicContact CB-CB 4Å; P85-N90 HydrophobicContact CG-CB 4.39Å; Y87-N90 WeakPolarHBondContact O-CB 3.49Å; Y87-N90 PolarHBondContact O-N 3.41Å; P88-N90 PolarHBondContact O-N 3.41Å; P88-N90 VanDerWaalsContact O-N 3.12Å; N90-N92 PolarHBondContact O-N 2.9Å; N90-N92 PolarHBondContact O-ND2 2.75Å
91	F	97	Very high	95.1	Very high	19 Å²	19	51 Å²	51	8%	0.083	27%	0.267	C	S	.	.			trans	-57.9	137.8	179.7	-176.3	-117.9	0	0	0	111.3	Y29 A31 I82 P85 P88 Q89 L646 L653 L655	Y29-F91 WeakPolarHBondContact O-CD1 3.48Å; A31-F91 HydrophobicContact CB-CD1 4.13Å; A31-F91 HydrophobicContact CB-CE1 4.02Å; I82-F91 HydrophobicContact CG2-CE2 3.85Å; P85-F91 HydrophobicContact CG-CB 4.39Å; P88-F91 VanDerWaalsContact O-CB 3.26Å; P88-F91 WeakPolarHBondContact O-CB 3.41Å; P88-F91 PolarHBondContact O-N 3.3Å; P88-F91 VanDerWaalsContact O-N 3.07Å; Q89-F91 VanDerWaalsContact C-N 3.28Å; F91-L646 HydrophobicContact CE2-CD2 4.27Å; F91-L653 HydrophobicContact CE1-CB 3.97Å; F91-L653 HydrophobicContact CZ-CB 3.88Å; F91-L655 HydrophobicContact CB-CB 4.39Å; F91-L655 HydrophobicContact CB-CD2 3.93Å; F91-L655 HydrophobicContact CD1-CB 3.74Å; F91-L655 HydrophobicContact CD2-CB 3.73Å; F91-L655 HydrophobicContact CD2-CD2 3.69Å; F91-L655 HydrophobicContact CD2-CG 4.27Å; F91-L655 HydrophobicContact CE1-CB 3.82Å; F91-L655 HydrophobicContact CE2-CB 3.81Å; F91-L655 HydrophobicContact CE2-CD2 4.38Å; F91-L655 HydrophobicContact CG-CB 3.68Å; F91-L655 HydrophobicContact CG-CD2 3.89Å; F91-L655 HydrophobicContact CG-CG 4.45Å; F91-L655 HydrophobicContact CZ-CB 3.84Å
92	N	95.6	Very high	94.5	Very high	79 Å²	79	55.3 Å²	55.3	42%	0.422	29%	0.29	S	S	.	.			trans	-149.3	174.3	-175.8	64.5	73.5	0	0	0	110.4	A31 N90 G94	A31-N92 VanDerWaalsContact CB-C 3.43Å; N90-N92 PolarHBondContact O-N 2.9Å; N90-N92 PolarHBondContact O-ND2 2.75Å; N92-G94 PolarHBondContact O-N 2.94Å; N92-G94 VanDerWaalsContact O-N 3.12Å; N92-G94 WeakPolarHBondContact OD1-CA 3.39Å; N92-G94 PolarHBondContact OD1-N 3.21Å
93	Q	94.5	Very high	94	Very high	43 Å²	43	57.4 Å²	57.4	20%	0.201	30%	0.298	C	S	.	.	S	Bend	trans	-70.6	-2.2	-176.2	64.1	175.3	-22.7	0	0	114.4	A31 S32 Y72 V80 L653	A31-Q93 HydrophobicContact CB-CB 4.36Å; S32-Q93 PolarHBondContact O-OE1 3.16Å; Y72-Q93 WeakPolarHBondContact CE1-O 3.37Å; Y72-Q93 PolarHBondContact OH-O 2.87Å; V80-Q93 VanDerWaalsContact CG1-O 3.29Å; V80-Q93 WeakPolarHBondContact CG1-O 3.34Å; Q93-L653 HydrophobicContact CB-CD1 4.29Å
94	G	95	Very high	93.2	Very high	16 Å²	16	58.6 Å²	58.6	17%	0.165	31%	0.31	C	S	.	.			trans	83.4	-179.6	-176	0	0	0	0	0	114.3	L81 N92	L81-G94 CarbonylContact O-C 3.6Å; L81-G94 WeakPolarHBondContact O-CA 3.28Å; N92-G94 PolarHBondContact O-N 2.94Å; N92-G94 VanDerWaalsContact O-N 3.12Å; N92-G94 WeakPolarHBondContact OD1-CA 3.39Å; N92-G94 PolarHBondContact OD1-N 3.21Å
95	T	94.7	Very high	91.9	Very high	62 Å²	62	65.4 Å²	65.4	38%	0.38	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.5	-177.4	-54.7	0	0	0	0	109.7	V80 L81 V97 D145	V80-T95 WeakPolarHBondContact CA-O 3.48Å; V80-T95 WeakPolarHBondContact CG1-O 3.26Å; L81-T95 PolarHBondContact N-O 3.46Å; L81-T95 PolarHBondContact O-N 3.05Å; T95-V97 PolarHBondContact O-N 3.41Å; T95-D145 HydrophobicContact CG2-CB 4.47Å
96	I	95.3	Very high	90.5	Very high	72 Å²	72	65.1 Å²	65.1	37%	0.369	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	121.7	171.2	-66	169	0	0	0	108.2	V80	V80-I96 HydrophobicContact CG2-CG1 4.06Å
97	V	95.5	Very high	89.1	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-19.1	-176.1	-62.4	0	0	0	0	113.2	Y71 L79 L81 T95 D145 L147	Y71-V97 HydrophobicContact CE1-CG2 4.26Å; L79-V97 HydrophobicContact CB-CG2 4.32Å; L79-V97 HydrophobicContact CD2-CG2 4.01Å; L79-V97 HydrophobicContact CG-CG2 3.86Å; L79-V97 WeakPolarHBondContact O-CG2 3.49Å; L79-V97 PolarHBondContact O-N 2.86Å; L81-V97 HydrophobicContact CB-CG1 3.5Å; L81-V97 HydrophobicContact CB-CG2 4.29Å; L81-V97 HydrophobicContact CD2-CG1 4.23Å; T95-V97 PolarHBondContact O-N 3.41Å; V97-D145 VanDerWaalsContact CB-O 3.32Å; V97-D145 WeakPolarHBondContact CB-O 3.43Å; V97-D145 HydrophobicContact CG1-CB 4Å; V97-D145 WeakPolarHBondContact CG1-O 3.41Å; V97-L147 HydrophobicContact CB-CD1 4.31Å; V97-L147 HydrophobicContact CB-CG 4.08Å; V97-L147 HydrophobicContact CG2-CD1 3.76Å; V97-L147 HydrophobicContact CG2-CG 4.09Å; V97-L147 PolarHBondContact O-N 2.84Å
98	F	95.8	Very high	87.3	Confident	24 Å²	24	63.3 Å²	63.3	11%	0.105	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	152.9	177.3	176.4	-111.4	0	0	0	110.4	S78 L79 L100 L126 Y134 L136 V149	S78-F98 CarbonylContact C-O 3.48Å; S78-F98 WeakPolarHBondContact CA-O 3.47Å; L79-F98 HydrophobicContact CB-CB 4.16Å; L79-F98 HydrophobicContact CD2-CB 4.32Å; L79-F98 PolarHBondContact N-O 2.93Å; L79-F98 PolarHBondContact O-N 3.42Å; F98-L100 HydrophobicContact CE1-CD2 3.89Å; F98-L100 HydrophobicContact CE1-CG 4.2Å; F98-L126 HydrophobicContact CD1-CD2 3.85Å; F98-L126 HydrophobicContact CE1-CD2 3.81Å; F98-Y134 HydrophobicContact CZ-CD1 4.15Å; F98-L136 HydrophobicContact CB-CD1 4.15Å; F98-L136 HydrophobicContact CD1-CD1 3.66Å; F98-L136 HydrophobicContact CD1-CD2 4.23Å; F98-L136 HydrophobicContact CD2-CD2 4.13Å; F98-L136 HydrophobicContact CE1-CD1 4.2Å; F98-L136 HydrophobicContact CE1-CD2 4.15Å; F98-L136 HydrophobicContact CE2-CD2 4.08Å; F98-L136 HydrophobicContact CG-CD1 3.88Å; F98-L136 HydrophobicContact CG-CD2 4.22Å; F98-L136 HydrophobicContact CZ-CD2 4.08Å; F98-V149 HydrophobicContact CD2-CG2 4.12Å; F98-V149 HydrophobicContact CE2-CG2 3.31Å; F98-V149 HydrophobicContact CZ-CG2 3.89Å
99	T	95.2	Very high	85.4	Confident	70 Å²	70	70.9 Å²	70.9	43%	0.429	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.1	173.7	-57.9	0	0	0	0	109.2	S78	S78-T99 PolarHBondContact OG-OG1 3.18Å
100	L	94	Very high	83.9	Confident	7 Å²	7	71.9 Å²	71.9	4%	0.037	38%	0.379	C	S	.	.			trans	-64.4	125.1	179.1	-77.3	166.8	0	0	0	110.5	M73 G77 F98 D102 W103 L126 D128 Y134	M73-L100 HydrophobicContact CE-CD1 3.68Å; M73-L100 HydrophobicContact CE-CG 4.39Å; G77-L100 PolarHBondContact O-N 3.21Å; F98-L100 HydrophobicContact CE1-CD2 3.89Å; F98-L100 HydrophobicContact CE1-CG 4.2Å; L100-D102 PolarHBondContact O-N 2.73Å; L100-W103 HydrophobicContact CB-CB 4.06Å; L100-W103 HydrophobicContact CB-CE3 4.35Å; L100-W103 HydrophobicContact CD1-CE3 3.47Å; L100-W103 VanDerWaalsContact CD1-CE3 3.47Å; L100-W103 HydrophobicContact CD1-CZ3 3.73Å; L100-W103 PolarHBondContact O-N 3.06Å; L100-L126 HydrophobicContact CD1-CD2 4.41Å; L100-L126 HydrophobicContact CD2-CD2 3.85Å; L100-L126 HydrophobicContact CG-CD2 4.12Å; L100-D128 HydrophobicContact CD1-CB 4.33Å; L100-D128 HydrophobicContact CD2-CB 4.31Å; L100-Y134 HydrophobicContact CD2-CD2 3.7Å; L100-Y134 HydrophobicContact CD2-CE2 3.36Å; L100-Y134 HydrophobicContact CD2-CG 4.43Å
101	P	89.9	Confident	82.5	Confident	85 Å²	85	69.8 Å²	69.8	55%	0.552	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-36.4	-172.4	24.8	-33.5	0	0	0	113.5	Y134	P101-Y134 HydrophobicContact CG-CE1 4.2Å
102	D	83.4	Confident	81.4	Confident	97 Å²	97	71.7 Å²	71.7	52%	0.519	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	31	-177.3	-57.8	-44.2	0	0	0	111.4	L100 C104 R152	L100-D102 PolarHBondContact O-N 2.73Å; D102-C104 PolarHBondContact O-N 2.92Å; D102-R152 IonicContact OD2-CZ 2.66Å; D102-R152 VanDerWaalsContact OD2-CZ 3.3Å; D102-R152 IonicContact OD2-NH1 3.73Å; D102-R152 PolarHBondContact OD2-NH1 2.84Å; D102-R152 IonicContact OD2-NH2 3.6Å; D102-R152 PolarHBondContact OD2-NH2 2.89Å
103	W	85.1	Confident	80.8	Confident	45 Å²	45	68.4 Å²	68.4	17%	0.17	36%	0.355	C	S	.	.			trans	-66.1	126.4	-177.6	-175.5	-105.1	0	0	0	111.2	T75 D76 G77 L100 V114	T75-W103 PolarHBondContact O-NE1 3.38Å; D76-W103 VanDerWaalsContact C-NE1 3.33Å; G77-W103 VanDerWaalsContact CA-CE2 3.49Å; G77-W103 VanDerWaalsContact CA-CG 3.47Å; L100-W103 HydrophobicContact CB-CB 4.06Å; L100-W103 HydrophobicContact CB-CE3 4.35Å; L100-W103 HydrophobicContact CD1-CE3 3.47Å; L100-W103 VanDerWaalsContact CD1-CE3 3.47Å; L100-W103 HydrophobicContact CD1-CZ3 3.73Å; L100-W103 PolarHBondContact O-N 3.06Å; W103-V114 HydrophobicContact CH2-CG2 3.93Å; W103-V114 HydrophobicContact CZ3-CG2 3.74Å
104	C	77.6	Confident	80.7	Confident	82 Å²	82	67.6 Å²	67.6	55%	0.554	35%	0.353	S	S	*	.			trans	-129.7	139.6	165.8	-67.6	0	0	0	0	107	D102 R112	D102-C104 PolarHBondContact O-N 2.92Å; C104-R112 PolarHBondContact O-NH1 2.94Å
105	E	70.1	Confident	80.7	Confident	150 Å²	150	67.3 Å²	67.3	70%	0.701	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-56.1	133.7	173.4	-167.1	175.7	-180	0	0	108.8
106	P	66.2	Low	80.8	Confident	15 Å²	15	64.9 Å²	64.9	10%	0.097	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-58.4	146.8	-178.4	-8.6	14.2	0	0	0	110.6	K40 R112	K40-P106 HydrophobicContact CD-CB 3.9Å; K40-P106 HydrophobicContact CD-CG 3.77Å; K40-P106 VanDerWaalsContact CE-CG 3.42Å; K40-P106 HydrophobicContact CG-CG 4.48Å; K40-P106 VanDerWaalsContact NZ-C 3.27Å; K40-P106 PolarHBondContact NZ-O 2.79Å; P106-R112 HydrophobicContact CB-CB 3.76Å; P106-R112 HydrophobicContact CB-CG 4.5Å; P106-R112 HydrophobicContact CG-CB 3.99Å; P106-R112 HydrophobicContact CG-CG 4.35Å
107	S	64.4	Low	80.8	Confident	62 Å²	62	62.5 Å²	62.5	43%	0.434	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-70.6	173.1	168.6	61.9	0	0	0	0	110.9	K40 E109	K40-S107 PolarHBondContact NZ-O 3.37Å; S107-E109 VanDerWaalsContact C-N 3.28Å
108	H	58.2	Low	80.9	Confident	172 Å²	172	62.6 Å²	62.6	80%	0.796	32%	0.32	S	S	*	.	S	Bend	trans	-70.8	-22.1	174.8	-75.7	-78.1	0	0	0	113.4
109	E	54.8	Low	80.8	Confident	176 Å²	176	61.5 Å²	61.5	82%	0.822	32%	0.315	S	S	*	.	S	Bend	trans	-86.9	-14.4	-171.1	-65	178.7	169.1	0	0	114.4	S107	S107-E109 VanDerWaalsContact C-N 3.28Å
110	K	63.3	Low	80.7	Confident	138 Å²	138	59.1 Å²	59.1	60%	0.6	30%	0.303	S	S	*	.	S	Bend	trans	-119.3	135.4	-174.2	-66.9	-170.4	177.4	-172.7	0	112.2	R112	K110-R112 PolarHBondContact O-N 2.86Å
111	F	66.4	Low	80.5	Confident	49 Å²	49	62.2 Å²	62.2	22%	0.215	32%	0.319	C	S	.	.			trans	-80.2	54.9	176.5	-55.5	-68.6	0	0	0	111.6	L42 H50 Y54 S113	L42-F111 HydrophobicContact CD2-CD1 3.27Å; L42-F111 HydrophobicContact CD2-CE1 3.13Å; L42-F111 HydrophobicContact CD2-CG 4.43Å; L42-F111 HydrophobicContact CD2-CZ 4.21Å; H50-F111 AromaticContact CD2-CD2 3.56Å; H50-F111 AromaticContact CD2-CE2 3.22Å; H50-F111 WeakPolarHBondContact CD2-CE2 3.4Å; H50-F111 AromaticContact CD2-CZ 3.83Å; H50-F111 AromaticContact NE2-CD2 3.97Å; H50-F111 AromaticContact NE2-CE2 3.59Å; Y54-F111 HydrophobicContact CD1-CB 3.81Å; Y54-F111 HydrophobicContact CD2-CB 3.78Å; Y54-F111 HydrophobicContact CD2-CD1 4.12Å; Y54-F111 HydrophobicContact CD2-CD2 4.39Å; Y54-F111 AromaticContact CD2-CG 3.84Å; Y54-F111 HydrophobicContact CD2-CG 3.84Å; Y54-F111 HydrophobicContact CE1-CB 3.54Å; Y54-F111 VanDerWaalsContact CE1-O 3.24Å; Y54-F111 WeakPolarHBondContact CE1-O 3.33Å; Y54-F111 HydrophobicContact CE2-CB 3.52Å; Y54-F111 HydrophobicContact CE2-CD1 4.45Å; Y54-F111 AromaticContact CE2-CD2 3.95Å; Y54-F111 HydrophobicContact CE2-CD2 3.95Å; Y54-F111 AromaticContact CE2-CG 3.72Å; Y54-F111 HydrophobicContact CE2-CG 3.72Å; Y54-F111 HydrophobicContact CG-CB 3.94Å; Y54-F111 HydrophobicContact CG-CD1 4.47Å; Y54-F111 HydrophobicContact CG-CG 4.35Å; F111-S113 PolarHBondContact O-N 3.31Å; F111-S113 VanDerWaalsContact O-N 3.12Å
112	R	74.8	Confident	80.6	Confident	60 Å²	60	63.3 Å²	63.3	23%	0.226	31%	0.313	C	S	.	.			trans	-66.7	116.1	178	-176.6	-177.5	-75	-175.5	-11.4	109.6	C104 P106 K110 D128 S130	C104-R112 PolarHBondContact O-NH1 2.94Å; P106-R112 HydrophobicContact CB-CB 3.76Å; P106-R112 HydrophobicContact CB-CG 4.5Å; P106-R112 HydrophobicContact CG-CB 3.99Å; P106-R112 HydrophobicContact CG-CG 4.35Å; K110-R112 PolarHBondContact O-N 2.86Å; R112-D128 WeakPolarHBondContact CG-O 3.29Å; R112-S130 PolarHBondContact NE-OG 2.86Å; R112-S130 PolarHBondContact NH2-OG 3.4Å
113	S	83	Confident	81.1	Confident	9 Å²	9	60.3 Å²	60.3	6%	0.063	30%	0.295	C	S	.	.			trans	-121.9	129.4	170.6	179.1	0	0	0	0	110.6	I57 F111 G129	I57-S113 VanDerWaalsContact CD1-CB 3.49Å; I57-S113 WeakPolarHBondContact CD1-OG 3.33Å; F111-S113 PolarHBondContact O-N 3.31Å; F111-S113 VanDerWaalsContact O-N 3.12Å; S113-G129 WeakPolarHBondContact O-CA 3.31Å
114	V	91.7	Very high	81.6	Confident	26 Å²	26	58.3 Å²	58.3	16%	0.158	29%	0.287	C	S	.	.			trans	-80.2	130.3	171.9	-179.3	0	0	0	0	108.6	M73 W103 L126 Y127	M73-V114 HydrophobicContact CE-CG1 4.34Å; M73-V114 HydrophobicContact CG-CB 4.12Å; M73-V114 HydrophobicContact CG-CG1 3.7Å; M73-V114 HydrophobicContact SD-CG1 4.16Å; W103-V114 HydrophobicContact CH2-CG2 3.93Å; W103-V114 HydrophobicContact CZ3-CG2 3.74Å; V114-L126 HydrophobicContact CG1-CD1 3.41Å; V114-L126 VanDerWaalsContact CG1-CD1 3.41Å; V114-L126 HydrophobicContact CG1-CG 4.28Å; V114-Y127 WeakPolarHBondContact CA-O 3.5Å
115	S	94.5	Very high	82.5	Confident	10 Å²	10	54.4 Å²	54.4	7%	0.07	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.8	179.3	-54.8	0	0	0	0	110.3	Y127 Q163 L164	S115-Y127 PolarHBondContact N-O 3.11Å; S115-Y127 PolarHBondContact O-N 2.85Å; S115-Q163 WeakPolarHBondContact OG-CA 3.29Å; S115-Q163 WeakPolarHBondContact OG-CB 3.48Å; S115-L164 VanDerWaalsContact CB-N 3.31Å; S115-L164 PolarHBondContact OG-N 3.16Å
116	I	96.8	Very high	83.8	Confident	11 Å²	11	47.2 Å²	47.2	6%	0.056	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128	179.1	-56.8	165.5	0	0	0	108.3	C61 M73 L79 F118 V124 S125 L126	C61-I116 HydrophobicContact CB-CB 4.02Å; C61-I116 HydrophobicContact CB-CD1 4.38Å; C61-I116 HydrophobicContact CB-CG2 4.17Å; M73-I116 HydrophobicContact CG-CD1 4.24Å; L79-I116 HydrophobicContact CD1-CD1 3.67Å; L79-I116 HydrophobicContact CD1-CG1 4.42Å; I116-F118 HydrophobicContact CG2-CE2 4.23Å; I116-F118 HydrophobicContact CG2-CZ 3.95Å; I116-V124 HydrophobicContact CG2-CG1 3.77Å; I116-S125 WeakPolarHBondContact CA-O 3.34Å; I116-L126 HydrophobicContact CD1-CD1 4.4Å; I116-L126 HydrophobicContact CG1-CD1 3.59Å
117	Q	96.8	Very high	85.2	Confident	23 Å²	23	46.5 Å²	46.5	11%	0.107	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.8	174.3	-65.9	-64.7	-14.8	0	0	110.6	S125 L164 L165 C167	Q117-S125 PolarHBondContact N-O 2.91Å; Q117-S125 PolarHBondContact O-N 3.45Å; Q117-L164 HydrophobicContact CB-CD2 3.86Å; Q117-L164 HydrophobicContact CB-CG 4.42Å; Q117-L164 HydrophobicContact CG-CD2 3.77Å; Q117-L164 HydrophobicContact CG-CG 3.83Å; Q117-L164 PolarHBondContact NE2-O 3.32Å; Q117-L165 PolarHBondContact NE2-O 3.23Å; Q117-C167 WeakPolarHBondContact CB-SG 3.29Å
118	F	96.4	Very high	86.6	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	93.5	-175.8	-56.8	-87.3	0	0	0	108.7	C61 V62 N63 P64 F65 Y71 I116 A120 V124 W503	C61-F118 HydrophobicContact CB-CE2 4.25Å; V62-F118 WeakPolarHBondContact O-CE2 3.14Å; N63-F118 HydrophobicContact CB-CD1 3.98Å; N63-F118 HydrophobicContact CB-CE1 3.77Å; N63-F118 HydrophobicContact CB-CG 4.45Å; N63-F118 HydrophobicContact CB-CZ 4.05Å; P64-F118 VanDerWaalsContact CD-CD2 3.43Å; P64-F118 HydrophobicContact CG-CB 4.16Å; P64-F118 HydrophobicContact CG-CD2 4.5Å; F65-F118 HydrophobicContact CD2-CB 4.41Å; F65-F118 HydrophobicContact CE2-CB 4.26Å; Y71-F118 AromaticContact CD2-CE1 3.66Å; Y71-F118 HydrophobicContact CD2-CE1 3.66Å; Y71-F118 AromaticContact CD2-CZ 3.49Å; Y71-F118 HydrophobicContact CD2-CZ 3.49Å; Y71-F118 VanDerWaalsContact CD2-CZ 3.49Å; Y71-F118 AromaticContact CE2-CE1 3.57Å; Y71-F118 HydrophobicContact CE2-CE1 3.57Å; Y71-F118 AromaticContact CE2-CZ 3.9Å; Y71-F118 HydrophobicContact CE2-CZ 3.9Å; Y71-F118 HydrophobicContact CG-CE1 4.45Å; Y71-F118 HydrophobicContact CG-CZ 4.22Å; I116-F118 HydrophobicContact CG2-CE2 4.23Å; I116-F118 HydrophobicContact CG2-CZ 3.95Å; F118-A120 VanDerWaalsContact C-N 3.3Å; F118-A120 PolarHBondContact O-N 3.39Å; F118-V124 HydrophobicContact CD1-CG2 4Å; F118-V124 HydrophobicContact CE1-CG1 4.28Å; F118-V124 HydrophobicContact CE1-CG2 3.89Å; F118-W503 WeakPolarHBondContact O-CH2 3.42Å; F118-W503 VanDerWaalsContact O-CZ2 3.29Å; F118-W503 WeakPolarHBondContact O-CZ2 3.26Å
119	P	95.4	Very high	88.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-19.2	-176.7	30.4	-37.6	0	0	0	113.5	Y123 S125 L135 C167 L169 L180	P119-Y123 WeakPolarHBondContact CD-O 3.38Å; P119-S125 WeakPolarHBondContact CD-OG 3.44Å; P119-S125 WeakPolarHBondContact CG-OG 3.09Å; P119-L135 HydrophobicContact CG-CD1 3.97Å; P119-C167 HydrophobicContact CB-CB 4.41Å; P119-L169 HydrophobicContact CB-CB 3.73Å; P119-L169 HydrophobicContact CG-CB 4.3Å; P119-L169 PolarHBondContact O-N 3.35Å; P119-L180 HydrophobicContact CB-CD1 4.13Å
120	A	92.9	Very high	89.7	Confident	20 Å²	20	29 Å²	29	17%	0.165	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	166.7	177.1	0	0	0	0	0	110.9	F65 F118 Y122 Y123 L169	F65-A120 WeakPolarHBondContact CE2-O 3.03Å; F118-A120 VanDerWaalsContact C-N 3.3Å; F118-A120 PolarHBondContact O-N 3.39Å; A120-Y122 VanDerWaalsContact C-N 3.28Å; A120-Y122 PolarHBondContact O-N 2.98Å; A120-Y122 VanDerWaalsContact O-N 3.08Å; A120-Y123 HydrophobicContact CB-CD2 3.83Å; A120-Y123 HydrophobicContact CB-CG 4.41Å; A120-Y123 PolarHBondContact O-N 2.83Å; A120-L169 HydrophobicContact CB-CB 4.22Å; A120-L169 HydrophobicContact CB-CD2 4.27Å
121	L	90	Very high	91	Very high	73 Å²	73	22.9 Å²	22.9	38%	0.382	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-43	-171.9	175.4	60.9	0	0	0	114.8	F65	F65-L121 HydrophobicContact CB-CD1 3.43Å; F65-L121 VanDerWaalsContact CB-CD1 3.43Å; F65-L121 HydrophobicContact CG-CB 4.4Å; F65-L121 HydrophobicContact CG-CD1 4.2Å
122	Y	90.4	Very high	92.3	Very high	108 Å²	108	21.1 Å²	21.1	42%	0.424	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	9.1	-176.2	-54.8	-62	0	0	0	113.8	A120 K137 S138 I140	A120-Y122 VanDerWaalsContact C-N 3.28Å; A120-Y122 PolarHBondContact O-N 2.98Å; A120-Y122 VanDerWaalsContact O-N 3.08Å; Y122-K137 WeakPolarHBondContact O-CA 3.36Å; Y122-S138 PolarHBondContact O-N 3.06Å; Y122-I140 HydrophobicContact CD1-CD1 4.1Å; Y122-I140 HydrophobicContact CD1-CG1 4.21Å; Y122-I140 HydrophobicContact CD2-CD1 4.13Å; Y122-I140 HydrophobicContact CE1-CD1 3.68Å; Y122-I140 HydrophobicContact CE1-CG1 4.03Å; Y122-I140 HydrophobicContact CE2-CD1 3.7Å; Y122-I140 HydrophobicContact CG-CD1 4.3Å; Y122-I140 VanDerWaalsContact CZ-CD1 3.46Å
123	Y	93.8	Very high	93.3	Very high	33 Å²	33	18.3 Å²	18.3	13%	0.129	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.8	-173.4	-71.4	-95.8	0	0	0	111	P119 A120 L135 L136 K137 V150 L169	P119-Y123 WeakPolarHBondContact CD-O 3.38Å; A120-Y123 HydrophobicContact CB-CD2 3.83Å; A120-Y123 HydrophobicContact CB-CG 4.41Å; A120-Y123 PolarHBondContact O-N 2.83Å; Y123-L135 HydrophobicContact CD1-CD1 3.85Å; Y123-L135 HydrophobicContact CD1-CD2 4.11Å; Y123-L135 HydrophobicContact CD1-CG 3.91Å; Y123-L135 HydrophobicContact CE1-CD2 4.27Å; Y123-L135 HydrophobicContact CE1-CG 4.45Å; Y123-L135 HydrophobicContact CG-CD1 4.49Å; Y123-L136 CarbonylContact C-O 3.59Å; Y123-L136 VanDerWaalsContact CA-O 3.3Å; Y123-L136 WeakPolarHBondContact CA-O 3.49Å; Y123-K137 HydrophobicContact CD1-CB 4.17Å; Y123-K137 HydrophobicContact CD1-CG 4.49Å; Y123-K137 HydrophobicContact CE1-CB 4.08Å; Y123-K137 HydrophobicContact CE1-CD 3.94Å; Y123-K137 HydrophobicContact CE1-CG 4.19Å; Y123-K137 HydrophobicContact CE2-CD 4.32Å; Y123-K137 PolarHBondContact OH-NZ 3.23Å; Y123-V150 HydrophobicContact CE1-CG2 4.19Å; Y123-L169 HydrophobicContact CD1-CD2 3.9Å; Y123-L169 HydrophobicContact CD2-CD2 3.79Å; Y123-L169 HydrophobicContact CE1-CD2 3.93Å; Y123-L169 HydrophobicContact CE2-CD2 3.85Å; Y123-L169 HydrophobicContact CG-CD2 3.82Å
124	V	96.3	Very high	93.9	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.018	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.8	173.7	-175.6	0	0	0	0	107.9	I116 F118 L136 L147	I116-V124 HydrophobicContact CG2-CG1 3.77Å; F118-V124 HydrophobicContact CD1-CG2 4Å; F118-V124 HydrophobicContact CE1-CG1 4.28Å; F118-V124 HydrophobicContact CE1-CG2 3.89Å; V124-L136 HydrophobicContact CB-CB 4.29Å; V124-L136 PolarHBondContact N-O 2.63Å; V124-L136 WeakPolarHBondContact O-CB 3.33Å; V124-L136 PolarHBondContact O-N 2.8Å; V124-L147 HydrophobicContact CB-CD1 4.36Å; V124-L147 HydrophobicContact CG2-CD1 4.07Å
125	S	97.2	Very high	94.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118.5	169.8	-73.2	0	0	0	0	108.9	I116 Q117 P119 Y134 C167	I116-S125 WeakPolarHBondContact CA-O 3.34Å; Q117-S125 PolarHBondContact N-O 2.91Å; Q117-S125 PolarHBondContact O-N 3.45Å; P119-S125 WeakPolarHBondContact CD-OG 3.44Å; P119-S125 WeakPolarHBondContact CG-OG 3.09Å; S125-Y134 WeakPolarHBondContact CA-O 3.36Å; S125-C167 PolarHBondContact OG-SG 3.04Å
126	L	97.1	Very high	94.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	111.2	178.6	-178.9	74.5	0	0	0	109	M73 F98 L100 V114 I116 Y134 L136	M73-L126 HydrophobicContact SD-CD1 4.01Å; F98-L126 HydrophobicContact CD1-CD2 3.85Å; F98-L126 HydrophobicContact CE1-CD2 3.81Å; L100-L126 HydrophobicContact CD1-CD2 4.41Å; L100-L126 HydrophobicContact CD2-CD2 3.85Å; L100-L126 HydrophobicContact CG-CD2 4.12Å; V114-L126 HydrophobicContact CG1-CD1 3.41Å; V114-L126 VanDerWaalsContact CG1-CD1 3.41Å; V114-L126 HydrophobicContact CG1-CG 4.28Å; I116-L126 HydrophobicContact CD1-CD1 4.4Å; I116-L126 HydrophobicContact CG1-CD1 3.59Å; L126-Y134 PolarHBondContact N-O 2.81Å; L126-Y134 PolarHBondContact O-N 2.83Å; L126-L136 HydrophobicContact CB-CD1 4.31Å; L126-L136 HydrophobicContact CD2-CD1 4.37Å
127	Y	96	Very high	93.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.6	171.6	-174	-111	0	0	0	110	V114 S115 G129 G131 N132 L133 P155 R160 S162 F184	V114-Y127 WeakPolarHBondContact CA-O 3.5Å; S115-Y127 PolarHBondContact N-O 3.11Å; S115-Y127 PolarHBondContact O-N 2.85Å; Y127-G129 VanDerWaalsContact C-N 3.27Å; Y127-G129 PolarHBondContact O-N 2.77Å; Y127-G131 VanDerWaalsContact OH-CA 3.24Å; Y127-G131 WeakPolarHBondContact OH-CA 3.2Å; Y127-G131 PolarHBondContact OH-N 3.1Å; Y127-G131 VanDerWaalsContact OH-N 3.12Å; Y127-N132 VanDerWaalsContact CD2-O 3.32Å; Y127-N132 WeakPolarHBondContact CD2-O 3.47Å; Y127-L133 HydrophobicContact CD2-CB 4.1Å; Y127-P155 HydrophobicContact CE2-CG 4.14Å; Y127-R160 PolarHBondContact OH-O 3.38Å; Y127-S162 WeakPolarHBondContact CD1-O 3.45Å; Y127-S162 WeakPolarHBondContact CE1-O 3.42Å; Y127-S162 PolarHBondContact OH-OG 2.81Å; Y127-F184 HydrophobicContact CD1-CE1 4.31Å; Y127-F184 AromaticContact CD2-CE1 3.72Å; Y127-F184 HydrophobicContact CD2-CE1 3.72Å; Y127-F184 HydrophobicContact CD2-CZ 4.46Å; Y127-F184 HydrophobicContact CE1-CE1 4.48Å; Y127-F184 AromaticContact CE2-CE1 3.91Å; Y127-F184 HydrophobicContact CE2-CE1 3.91Å; Y127-F184 AromaticContact CG-CE1 3.92Å; Y127-F184 HydrophobicContact CG-CE1 3.92Å
128	D	92.5	Very high	93.5	Very high	14 Å²	14	20.9 Å²	20.9	8%	0.075	11%	0.107	C	C	.	.			trans	-79.7	-2.5	-171.7	71.3	-8.9	0	0	0	114.9	L100 R112 S130 G131 N132 Y134	L100-D128 HydrophobicContact CD1-CB 4.33Å; L100-D128 HydrophobicContact CD2-CB 4.31Å; R112-D128 WeakPolarHBondContact CG-O 3.29Å; D128-S130 PolarHBondContact O-N 2.85Å; D128-S130 WeakPolarHBondContact OD1-CA 3.26Å; D128-S130 PolarHBondContact OD1-N 2.77Å; D128-G131 PolarHBondContact OD1-N 2.77Å; D128-N132 PolarHBondContact N-O 2.94Å; D128-N132 PolarHBondContact OD1-N 2.8Å; D128-N132 WeakPolarHBondContact OD2-CB 3.44Å; D128-N132 PolarHBondContact OD2-ND2 2.82Å; D128-Y134 HydrophobicContact CB-CE2 4.26Å
129	G	89.4	Confident	92.6	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.01	12%	0.117	C	C	.	.	S	Bend	trans	67.5	22.1	-173.7	0	0	0	0	0	112.8	S113 Y127 R160	S113-G129 WeakPolarHBondContact O-CA 3.31Å; Y127-G129 VanDerWaalsContact C-N 3.27Å; Y127-G129 PolarHBondContact O-N 2.77Å; G129-R160 CarbonylContact C-O 3.27Å
130	S	88.8	Confident	91.1	Very high	28 Å²	28	28.2 Å²	28.2	20%	0.196	15%	0.146	C	C	.	.	S	Bend	trans	-143.6	22.7	178.9	-77.5	0	0	0	0	114.3	R112 D128 R160	R112-S130 PolarHBondContact NE-OG 2.86Å; R112-S130 PolarHBondContact NH2-OG 3.4Å; D128-S130 PolarHBondContact O-N 2.85Å; D128-S130 WeakPolarHBondContact OD1-CA 3.26Å; D128-S130 PolarHBondContact OD1-N 2.77Å; S130-R160 WeakPolarHBondContact CA-O 3.33Å; S130-R160 PolarHBondContact N-O 2.97Å
131	G	90.8	Very high	89.4	Confident	8 Å²	8	36.1 Å²	36.1	8%	0.082	18%	0.179	C	C	.	.	S	Bend	trans	92	10.1	174.8	0	0	0	0	0	114.6	Y127 D128 Q154 P155 R160	Y127-G131 VanDerWaalsContact OH-CA 3.24Å; Y127-G131 WeakPolarHBondContact OH-CA 3.2Å; Y127-G131 PolarHBondContact OH-N 3.1Å; Y127-G131 VanDerWaalsContact OH-N 3.12Å; D128-G131 PolarHBondContact OD1-N 2.77Å; G131-Q154 WeakPolarHBondContact O-CA 3.16Å; G131-P155 WeakPolarHBondContact O-CD 3.5Å; G131-R160 PolarHBondContact N-O 3.31Å
132	N	94.4	Very high	87.7	Confident	13 Å²	13	37.9 Å²	37.9	7%	0.07	19%	0.186	C	C	.	.			trans	-117.1	123.1	173.4	-50	-81.7	0	0	0	111.2	Y127 D128 Y134 R152 Q154	Y127-N132 VanDerWaalsContact CD2-O 3.32Å; Y127-N132 WeakPolarHBondContact CD2-O 3.47Å; D128-N132 PolarHBondContact N-O 2.94Å; D128-N132 PolarHBondContact OD1-N 2.8Å; D128-N132 WeakPolarHBondContact OD2-CB 3.44Å; D128-N132 PolarHBondContact OD2-ND2 2.82Å; N132-Y134 HydrophobicContact CB-CD2 4.38Å; N132-Y134 HydrophobicContact CB-CE2 3.6Å; N132-R152 VanDerWaalsContact CG-NH2 3.29Å; N132-R152 PolarHBondContact ND2-NH2 3.45Å; N132-R152 PolarHBondContact OD1-NE 2.76Å; N132-R152 VanDerWaalsContact OD1-NE 3.08Å; N132-R152 PolarHBondContact OD1-NH2 2.8Å; N132-Q154 PolarHBondContact OD1-NE2 2.86Å
133	L	96	Very high	86.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.1	168.9	178	67.3	0	0	0	108.8	Y127 R152 I153 P155 L164 L180 F184	Y127-L133 HydrophobicContact CD2-CB 4.1Å; L133-R152 CarbonylContact O-C 3.59Å; L133-R152 WeakPolarHBondContact O-CA 3.41Å; L133-I153 HydrophobicContact CB-CB 4.33Å; L133-I153 HydrophobicContact CD2-CD1 4.41Å; L133-I153 PolarHBondContact N-O 2.93Å; L133-I153 PolarHBondContact O-N 3.42Å; L133-P155 HydrophobicContact CB-CG 3.82Å; L133-L164 HydrophobicContact CD1-CD2 3.97Å; L133-L180 HydrophobicContact CD2-CD2 4.29Å; L133-F184 HydrophobicContact CD2-CZ 4.35Å
134	Y	95.9	Very high	85	Confident	5 Å²	5	41.5 Å²	41.5	2%	0.02	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.8	174.1	-60.5	-96.6	0	0	0	108.7	F98 L100 P101 S125 L126 D128 N132 R152	F98-Y134 HydrophobicContact CZ-CD1 4.15Å; L100-Y134 HydrophobicContact CD2-CD2 3.7Å; L100-Y134 HydrophobicContact CD2-CE2 3.36Å; L100-Y134 HydrophobicContact CD2-CG 4.43Å; P101-Y134 HydrophobicContact CG-CE1 4.2Å; S125-Y134 WeakPolarHBondContact CA-O 3.36Å; L126-Y134 PolarHBondContact N-O 2.81Å; L126-Y134 PolarHBondContact O-N 2.83Å; D128-Y134 HydrophobicContact CB-CE2 4.26Å; N132-Y134 HydrophobicContact CB-CD2 4.38Å; N132-Y134 HydrophobicContact CB-CE2 3.6Å; Y134-R152 HydrophobicContact CD1-CB 4.29Å; Y134-R152 HydrophobicContact CD1-CG 4.23Å; Y134-R152 HydrophobicContact CE1-CB 4.3Å; Y134-R152 HydrophobicContact CE1-CG 3.89Å
135	L	95.6	Very high	84.2	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114.1	166.6	-173.9	64.8	0	0	0	107.5	P119 Y123 V150 S151 W222	P119-L135 HydrophobicContact CG-CD1 3.97Å; Y123-L135 HydrophobicContact CD1-CD1 3.85Å; Y123-L135 HydrophobicContact CD1-CD2 4.11Å; Y123-L135 HydrophobicContact CD1-CG 3.91Å; Y123-L135 HydrophobicContact CE1-CD2 4.27Å; Y123-L135 HydrophobicContact CE1-CG 4.45Å; Y123-L135 HydrophobicContact CG-CD1 4.49Å; L135-V150 HydrophobicContact CD2-CB 4.46Å; L135-V150 HydrophobicContact CD2-CG1 4.27Å; L135-V150 HydrophobicContact CG-CB 4.37Å; L135-V150 WeakPolarHBondContact O-CB 3.48Å; L135-V150 PolarHBondContact O-N 3.43Å; L135-S151 WeakPolarHBondContact CB-OG 3.36Å; L135-S151 PolarHBondContact N-O 3.46Å; L135-S151 PolarHBondContact O-N 3.24Å; L135-W222 HydrophobicContact CD2-CZ2 3.68Å
136	L	95.2	Very high	83.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147.7	-178.6	-51.5	177.6	0	0	0	109.4	L79 F98 Y123 V124 L126 L147 N148 V149	L79-L136 HydrophobicContact CD2-CD1 3.88Å; F98-L136 HydrophobicContact CB-CD1 4.15Å; F98-L136 HydrophobicContact CD1-CD1 3.66Å; F98-L136 HydrophobicContact CD1-CD2 4.23Å; F98-L136 HydrophobicContact CD2-CD2 4.13Å; F98-L136 HydrophobicContact CE1-CD1 4.2Å; F98-L136 HydrophobicContact CE1-CD2 4.15Å; F98-L136 HydrophobicContact CE2-CD2 4.08Å; F98-L136 HydrophobicContact CG-CD1 3.88Å; F98-L136 HydrophobicContact CG-CD2 4.22Å; F98-L136 HydrophobicContact CZ-CD2 4.08Å; Y123-L136 CarbonylContact C-O 3.59Å; Y123-L136 VanDerWaalsContact CA-O 3.3Å; Y123-L136 WeakPolarHBondContact CA-O 3.49Å; V124-L136 HydrophobicContact CB-CB 4.29Å; V124-L136 PolarHBondContact N-O 2.63Å; V124-L136 WeakPolarHBondContact O-CB 3.33Å; V124-L136 PolarHBondContact O-N 2.8Å; L126-L136 HydrophobicContact CB-CD1 4.31Å; L126-L136 HydrophobicContact CD2-CD1 4.37Å; L136-L147 HydrophobicContact CB-CB 4.06Å; L136-L147 HydrophobicContact CB-CD1 4.23Å; L136-L147 HydrophobicContact CD1-CB 4.45Å; L136-L147 HydrophobicContact CD1-CD1 4.04Å; L136-N148 CarbonylContact C-O 3.56Å; L136-N148 WeakPolarHBondContact CA-O 3.45Å; L136-V149 HydrophobicContact CD2-CB 4.32Å; L136-V149 HydrophobicContact CD2-CG2 3.78Å
137	K	92.2	Very high	83.6	Confident	86 Å²	86	48.9 Å²	48.9	37%	0.374	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.8	178.1	-179.1	178.8	-175.3	170.3	0	111.3	Y122 Y123 N148 V150	Y122-K137 WeakPolarHBondContact O-CA 3.36Å; Y123-K137 HydrophobicContact CD1-CB 4.17Å; Y123-K137 HydrophobicContact CD1-CG 4.49Å; Y123-K137 HydrophobicContact CE1-CB 4.08Å; Y123-K137 HydrophobicContact CE1-CD 3.94Å; Y123-K137 HydrophobicContact CE1-CG 4.19Å; Y123-K137 HydrophobicContact CE2-CD 4.32Å; Y123-K137 PolarHBondContact OH-NZ 3.23Å; K137-N148 PolarHBondContact N-O 3.27Å; K137-N148 PolarHBondContact O-N 3.06Å; K137-V150 HydrophobicContact CB-CG2 3.31Å; K137-V150 HydrophobicContact CD-CG2 4.25Å; K137-V150 HydrophobicContact CG-CG2 4.41Å
138	S	87.1	Confident	83.4	Confident	41 Å²	41	52.6 Å²	52.6	29%	0.287	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	131.8	169.5	177.2	0	0	0	0	110.2	Y122	Y122-S138 PolarHBondContact O-N 3.06Å
139	D	77.6	Confident	83.4	Confident	42 Å²	42	55.6 Å²	55.6	23%	0.225	30%	0.302	C	S	.	.			trans	-90.9	109.3	174.3	-170.6	-7.1	0	0	0	109.9	Q141 Q142	D139-Q141 PolarHBondContact O-N 3.49Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.46Å; D139-Q141 PolarHBondContact OD1-N 3.39Å; D139-Q142 HydrophobicContact CB-CB 4.35Å; D139-Q142 VanDerWaalsContact O-O 3.07Å; D139-Q142 WeakPolarHBondContact OD2-CG 3.48Å; D139-Q142 PolarHBondContact OD2-NE2 3.17Å
140	I	63.2	Low	83.4	Confident	117 Å²	117	57.3 Å²	57.3	60%	0.6	31%	0.313	S	S	*	.	S	Bend	trans	-66.1	-26.5	178.8	-54.3	168.7	0	0	0	111.1	Y122	Y122-I140 HydrophobicContact CD1-CD1 4.1Å; Y122-I140 HydrophobicContact CD1-CG1 4.21Å; Y122-I140 HydrophobicContact CD2-CD1 4.13Å; Y122-I140 HydrophobicContact CE1-CD1 3.68Å; Y122-I140 HydrophobicContact CE1-CG1 4.03Å; Y122-I140 HydrophobicContact CE2-CD1 3.7Å; Y122-I140 HydrophobicContact CG-CD1 4.3Å; Y122-I140 VanDerWaalsContact CZ-CD1 3.46Å
141	Q	57.9	Low	83.6	Confident	185 Å²	185	56.6 Å²	56.6	86%	0.864	31%	0.307	S	S	*	.	S	Bend	trans	-82	-26.4	-173.6	-61.5	-171.2	-7.7	0	0	112.7	D139	D139-Q141 PolarHBondContact O-N 3.49Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.46Å; D139-Q141 PolarHBondContact OD1-N 3.39Å
142	Q	55.2	Low	83.8	Confident	111 Å²	111	61.6 Å²	61.6	52%	0.519	32%	0.324	S	S	.	.	S	Bend	trans	-93	123	174.3	-67.8	-179.8	44.5	0	0	107.8	D139 N144	D139-Q142 HydrophobicContact CB-CB 4.35Å; D139-Q142 VanDerWaalsContact O-O 3.07Å; D139-Q142 WeakPolarHBondContact OD2-CG 3.48Å; D139-Q142 PolarHBondContact OD2-NE2 3.17Å; Q142-N144 PolarHBondContact O-N 2.82Å
143	S	58	Low	83.8	Confident	136 Å²	136	61.7 Å²	61.7	95%	0.951	32%	0.324	S	S	*	.	S	Bend	trans	-68.6	30.5	176.3	64	0	0	0	0	113.4
144	N	69.6	Low	83.7	Confident	80 Å²	80	68.4 Å²	68.4	43%	0.428	36%	0.356	S	S	.	.	S	Bend	trans	-120.7	137.3	-176.2	-166	4.5	0	0	0	109.1	Q142 L146	Q142-N144 PolarHBondContact O-N 2.82Å; N144-L146 WeakPolarHBondContact ND2-CD1 3.3Å; N144-L146 WeakPolarHBondContact ND2-CG 3.34Å; N144-L146 PolarHBondContact O-N 2.65Å
145	D	79.1	Confident	83.6	Confident	64 Å²	64	68.7 Å²	68.7	34%	0.342	36%	0.358	S	S	.	.			trans	-72.2	2.3	-177.4	-64.4	-32.7	0	0	0	113.1	L81 T95 V97	L81-D145 HydrophobicContact CD2-CB 4.4Å; T95-D145 HydrophobicContact CG2-CB 4.47Å; V97-D145 VanDerWaalsContact CB-O 3.32Å; V97-D145 WeakPolarHBondContact CB-O 3.43Å; V97-D145 HydrophobicContact CG1-CB 4Å; V97-D145 WeakPolarHBondContact CG1-O 3.41Å
146	L	89.2	Confident	83.6	Confident	83 Å²	83	71.3 Å²	71.3	44%	0.435	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-65.6	136.2	-177.9	-69.5	179.6	0	0	0	112.1	N144	N144-L146 WeakPolarHBondContact ND2-CD1 3.3Å; N144-L146 WeakPolarHBondContact ND2-CG 3.34Å; N144-L146 PolarHBondContact O-N 2.65Å
147	L	92.3	Very high	83.5	Confident	12 Å²	12	72 Å²	72	6%	0.063	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.6	174.1	-64.6	176.7	0	0	0	110.4	Y71 L79 V97 V124 L136	Y71-L147 HydrophobicContact CE1-CD1 4.27Å; L79-L147 HydrophobicContact CD2-CD1 3.89Å; V97-L147 HydrophobicContact CB-CD1 4.31Å; V97-L147 HydrophobicContact CB-CG 4.08Å; V97-L147 HydrophobicContact CG2-CD1 3.76Å; V97-L147 HydrophobicContact CG2-CG 4.09Å; V97-L147 PolarHBondContact O-N 2.84Å; V124-L147 HydrophobicContact CB-CD1 4.36Å; V124-L147 HydrophobicContact CG2-CD1 4.07Å; L136-L147 HydrophobicContact CB-CB 4.06Å; L136-L147 HydrophobicContact CB-CD1 4.23Å; L136-L147 HydrophobicContact CD1-CB 4.45Å; L136-L147 HydrophobicContact CD1-CD1 4.04Å
148	N	91.5	Very high	83.3	Confident	78 Å²	78	72.3 Å²	72.3	42%	0.417	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.7	176.3	-69.4	-46.4	0	0	0	110.5	L136 K137 V150	L136-N148 CarbonylContact C-O 3.56Å; L136-N148 WeakPolarHBondContact CA-O 3.45Å; K137-N148 PolarHBondContact N-O 3.27Å; K137-N148 PolarHBondContact O-N 3.06Å; N148-V150 PolarHBondContact O-N 3.35Å; N148-V150 VanDerWaalsContact O-N 3.17Å
149	V	92	Very high	83.4	Confident	76 Å²	76	73.4 Å²	73.4	46%	0.461	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	110.5	171.8	-176.5	0	0	0	0	108.5	F98 L136	F98-V149 HydrophobicContact CD2-CG2 4.12Å; F98-V149 HydrophobicContact CE2-CG2 3.31Å; F98-V149 HydrophobicContact CZ-CG2 3.89Å; L136-V149 HydrophobicContact CD2-CB 4.32Å; L136-V149 HydrophobicContact CD2-CG2 3.78Å
150	V	90.7	Very high	83.9	Confident	38 Å²	38	79.8 Å²	79.8	23%	0.23	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-46.1	173.3	178.1	0	0	0	0	109.7	Y123 L135 K137 N148 I220	Y123-V150 HydrophobicContact CE1-CG2 4.19Å; L135-V150 HydrophobicContact CD2-CB 4.46Å; L135-V150 HydrophobicContact CD2-CG1 4.27Å; L135-V150 HydrophobicContact CG-CB 4.37Å; L135-V150 WeakPolarHBondContact O-CB 3.48Å; L135-V150 PolarHBondContact O-N 3.43Å; K137-V150 HydrophobicContact CB-CG2 3.31Å; K137-V150 HydrophobicContact CD-CG2 4.25Å; K137-V150 HydrophobicContact CG-CG2 4.41Å; N148-V150 PolarHBondContact O-N 3.35Å; N148-V150 VanDerWaalsContact O-N 3.17Å; V150-I220 HydrophobicContact CG1-CB 4.43Å; V150-I220 HydrophobicContact CG1-CD1 3.36Å; V150-I220 HydrophobicContact CG1-CG1 4.45Å; V150-I220 HydrophobicContact CG1-CG2 3.94Å
151	S	92.4	Very high	85.1	Confident	12 Å²	12	75.6 Å²	75.6	8%	0.084	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	150.6	-179.2	57	0	0	0	0	111.8	L135 W222	L135-S151 WeakPolarHBondContact CB-OG 3.36Å; L135-S151 PolarHBondContact N-O 3.46Å; L135-S151 PolarHBondContact O-N 3.24Å; S151-W222 PolarHBondContact OG-NE1 3.18Å
152	R	93.6	Very high	86.7	Confident	113 Å²	113	66.8 Å²	66.8	43%	0.426	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.5	166.5	179.7	-177	175.9	168.7	6.1	108.2	D102 N132 L133 Y134	D102-R152 IonicContact OD2-CZ 2.66Å; D102-R152 VanDerWaalsContact OD2-CZ 3.3Å; D102-R152 IonicContact OD2-NH1 3.73Å; D102-R152 PolarHBondContact OD2-NH1 2.84Å; D102-R152 IonicContact OD2-NH2 3.6Å; D102-R152 PolarHBondContact OD2-NH2 2.89Å; N132-R152 VanDerWaalsContact CG-NH2 3.29Å; N132-R152 PolarHBondContact ND2-NH2 3.45Å; N132-R152 PolarHBondContact OD1-NE 2.76Å; N132-R152 VanDerWaalsContact OD1-NE 3.08Å; N132-R152 PolarHBondContact OD1-NH2 2.8Å; L133-R152 CarbonylContact O-C 3.59Å; L133-R152 WeakPolarHBondContact O-CA 3.41Å; Y134-R152 HydrophobicContact CD1-CB 4.29Å; Y134-R152 HydrophobicContact CD1-CG 4.23Å; Y134-R152 HydrophobicContact CE1-CB 4.3Å; Y134-R152 HydrophobicContact CE1-CG 3.89Å
153	I	94.2	Very high	88.5	Confident	15 Å²	15	62.7 Å²	62.7	8%	0.077	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	145.1	-180	-56.7	170.6	0	0	0	107.8	L133 P155 L180 Y213 W222	L133-I153 HydrophobicContact CB-CB 4.33Å; L133-I153 HydrophobicContact CD2-CD1 4.41Å; L133-I153 PolarHBondContact N-O 2.93Å; L133-I153 PolarHBondContact O-N 3.42Å; I153-P155 WeakPolarHBondContact O-CD 3.36Å; I153-L180 HydrophobicContact CD1-CD2 3.95Å; I153-Y213 HydrophobicContact CG2-CD1 4.26Å; I153-Y213 HydrophobicContact CG2-CE1 3.6Å; I153-W222 HydrophobicContact CD1-CB 3.98Å; I153-W222 HydrophobicContact CD1-CD2 4.07Å; I153-W222 HydrophobicContact CD1-CG 3.59Å; I153-W222 HydrophobicContact CG1-CB 4.21Å; I153-W222 HydrophobicContact CG1-CG 4.08Å
154	Q	94.1	Very high	90.4	Very high	142 Å²	142	56.4 Å²	56.4	66%	0.664	28%	0.278	S	S	*	.			trans	-107.8	95.7	168.1	-71.3	-175.8	-26.9	0	0	108.9	G131 N132	G131-Q154 WeakPolarHBondContact O-CA 3.16Å; N132-Q154 PolarHBondContact OD1-NE2 2.86Å
155	P	95.3	Very high	91.6	Very high	10 Å²	10	53.7 Å²	53.7	7%	0.065	26%	0.263	C	S	.	.			trans	-61	137	179.4	-23.4	35.3	0	0	0	111.1	Y127 G131 L133 I153 V157 F184 I211 Y213	Y127-P155 HydrophobicContact CE2-CG 4.14Å; G131-P155 WeakPolarHBondContact O-CD 3.5Å; L133-P155 HydrophobicContact CB-CG 3.82Å; I153-P155 WeakPolarHBondContact O-CD 3.36Å; P155-V157 HydrophobicContact CB-CG1 3.92Å; P155-V157 PolarHBondContact O-N 2.83Å; P155-F184 HydrophobicContact CB-CE1 4.48Å; P155-F184 HydrophobicContact CB-CE2 3.91Å; P155-F184 HydrophobicContact CB-CZ 3.82Å; P155-F184 HydrophobicContact CG-CE1 4.17Å; P155-F184 HydrophobicContact CG-CE2 4.08Å; P155-F184 HydrophobicContact CG-CZ 3.52Å; P155-I211 HydrophobicContact CB-CD1 4.19Å; P155-Y213 WeakPolarHBondContact CA-OH 3.42Å; P155-Y213 WeakPolarHBondContact CB-OH 3.48Å
156	P	94.3	Very high	92.5	Very high	56 Å²	56	50.6 Å²	50.6	36%	0.364	25%	0.247	S	C	.	.			trans	-77.7	45.2	175.7	36.1	-40.9	0	0	0	111.9	I211 I224 H227	P156-I211 HydrophobicContact CG-CD1 4.05Å; P156-I224 HydrophobicContact CG-CD1 3.74Å; P156-H227 PolarHBondContact O-CE1 3.18Å
157	V	93.2	Very high	92.9	Very high	16 Å²	16	46.7 Å²	46.7	10%	0.097	23%	0.226	C	C	.	.			trans	-67.7	146.6	177.6	-70	0	0	0	0	110.7	P155 E159 F184 E209 I211	P155-V157 HydrophobicContact CB-CG1 3.92Å; P155-V157 PolarHBondContact O-N 2.83Å; V157-E159 VanDerWaalsContact CG2-O 3.28Å; V157-E159 WeakPolarHBondContact CG2-O 3.42Å; V157-F184 HydrophobicContact CG1-CB 3.75Å; V157-F184 HydrophobicContact CG1-CD1 3.97Å; V157-F184 HydrophobicContact CG1-CD2 3.72Å; V157-F184 HydrophobicContact CG1-CE2 4.3Å; V157-F184 HydrophobicContact CG1-CG 3.53Å; V157-E209 WeakPolarHBondContact CA-OE1 3.5Å; V157-I211 HydrophobicContact CG1-CD1 4.1Å
158	H	88.2	Confident	93.1	Very high	91 Å²	91	46.1 Å²	46.1	42%	0.421	22%	0.223	S	C	.	.	S	Bend	trans	-59.9	-47.9	177.2	-175.8	72	0	0	0	111	Y207 E209	H158-Y207 AromaticContact CD2-CD2 3.64Å; H158-Y207 AromaticContact CD2-CE2 3.5Å; H158-Y207 VanDerWaalsContact CD2-CE2 3.5Å; H158-Y207 WeakPolarHBondContact CD2-CE2 3.25Å; H158-Y207 AromaticContact NE2-CE2 3.6Å; H158-E209 WeakPolarHBondContact CB-OE1 3.14Å; H158-E209 PolarHBondContact N-OE1 2.79Å
159	E	89.3	Confident	93.2	Very high	64 Å²	64	43.3 Å²	43.3	30%	0.299	21%	0.208	S	C	.	.			trans	-113.8	127.3	177.1	-69	-62.5	173.8	0	0	111.4	V157 D161 S162 S188	V157-E159 VanDerWaalsContact CG2-O 3.28Å; V157-E159 WeakPolarHBondContact CG2-O 3.42Å; E159-D161 VanDerWaalsContact C-N 3.3Å; E159-D161 PolarHBondContact O-N 3.4Å; E159-S162 WeakPolarHBondContact O-CB 3.17Å; E159-S162 PolarHBondContact O-N 2.79Å; E159-S162 PolarHBondContact O-OG 3.3Å; E159-S188 WeakPolarHBondContact OE1-CB 3.29Å
160	R	89.4	Confident	93.2	Very high	177 Å²	177	41.1 Å²	41.1	67%	0.668	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-23.5	-177.3	-67.1	-168	-174.6	-168.3	2.1	113.2	Y127 G129 S130 G131	Y127-R160 PolarHBondContact OH-O 3.38Å; G129-R160 CarbonylContact C-O 3.27Å; S130-R160 WeakPolarHBondContact CA-O 3.33Å; S130-R160 PolarHBondContact N-O 2.97Å; G131-R160 PolarHBondContact N-O 3.31Å
161	D	86.9	Confident	93.1	Very high	28 Å²	28	43.4 Å²	43.4	15%	0.15	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	12.4	174.4	65	-16.3	0	0	0	113.2	Y54 E159	Y54-D161 PolarHBondContact OH-O 2.77Å; E159-D161 VanDerWaalsContact C-N 3.3Å; E159-D161 PolarHBondContact O-N 3.4Å
162	S	92.3	Very high	93	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	21%	0.208	C	C	.	.			trans	-53.6	168.3	168.3	52.5	0	0	0	0	113.3	Y127 E159 V185	Y127-S162 WeakPolarHBondContact CD1-O 3.45Å; Y127-S162 WeakPolarHBondContact CE1-O 3.42Å; Y127-S162 PolarHBondContact OH-OG 2.81Å; E159-S162 WeakPolarHBondContact O-CB 3.17Å; E159-S162 PolarHBondContact O-N 2.79Å; E159-S162 PolarHBondContact O-OG 3.3Å; S162-V185 CarbonylContact C-O 3.42Å; S162-V185 VanDerWaalsContact CA-O 3.25Å; S162-V185 WeakPolarHBondContact CA-O 3.4Å; S162-V185 WeakPolarHBondContact CB-O 3.28Å
163	Q	93.5	Very high	92.6	Very high	25 Å²	25	45.6 Å²	45.6	12%	0.117	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	144.1	178.6	-60.4	177.3	42.7	0	0	110.1	A53 Y54 S115 L165 F184 V185	A53-Q163 PolarHBondContact O-NE2 2.9Å; A53-Q163 PolarHBondContact O-OE1 3.4Å; Y54-Q163 HydrophobicContact CE1-CG 4.33Å; S115-Q163 WeakPolarHBondContact OG-CA 3.29Å; S115-Q163 WeakPolarHBondContact OG-CB 3.48Å; Q163-L165 PolarHBondContact O-N 3.15Å; Q163-F184 CarbonylContact O-C 3.49Å; Q163-F184 VanDerWaalsContact O-CA 3.26Å; Q163-F184 WeakPolarHBondContact O-CA 3.33Å; Q163-V185 HydrophobicContact CB-CG1 3.91Å; Q163-V185 PolarHBondContact N-O 2.78Å; Q163-V185 PolarHBondContact O-N 3.5Å
164	L	96.8	Very high	92.4	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	103.1	171.2	-177.4	69.7	0	0	0	108.9	S115 Q117 L133 C167 C182 F184	S115-L164 VanDerWaalsContact CB-N 3.31Å; S115-L164 PolarHBondContact OG-N 3.16Å; Q117-L164 HydrophobicContact CB-CD2 3.86Å; Q117-L164 HydrophobicContact CB-CG 4.42Å; Q117-L164 HydrophobicContact CG-CD2 3.77Å; Q117-L164 HydrophobicContact CG-CG 3.83Å; Q117-L164 PolarHBondContact NE2-O 3.32Å; L133-L164 HydrophobicContact CD1-CD2 3.97Å; L164-C167 HydrophobicContact CD1-CB 4.38Å; L164-C167 HydrophobicContact CD2-CB 4.45Å; L164-C182 HydrophobicContact CD1-CB 3.84Å; L164-F184 HydrophobicContact CB-CD1 4.43Å; L164-F184 HydrophobicContact CB-CE1 4.22Å; L164-F184 HydrophobicContact CD1-CD1 4.17Å; L164-F184 HydrophobicContact CD1-CE1 3.76Å; L164-F184 HydrophobicContact CD1-CE2 4.28Å; L164-F184 HydrophobicContact CD1-CZ 3.82Å
165	L	96.1	Very high	92.1	Very high	23 Å²	23	46.2 Å²	46.2	12%	0.12	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-35.5	-173.8	-171.7	57.9	0	0	0	112.6	Q117 Q163 L183 V185 L208 A239	Q117-L165 PolarHBondContact NE2-O 3.23Å; Q163-L165 PolarHBondContact O-N 3.15Å; L165-L183 HydrophobicContact CB-CD2 4.33Å; L165-L183 HydrophobicContact CB-CG 4.39Å; L165-L183 HydrophobicContact CD2-CD2 4.07Å; L165-L183 HydrophobicContact CG-CD2 4.37Å; L165-L183 PolarHBondContact N-O 2.98Å; L165-V185 HydrophobicContact CB-CG1 4.21Å; L165-V185 HydrophobicContact CD2-CB 4.3Å; L165-V185 HydrophobicContact CD2-CG1 4.32Å; L165-L208 HydrophobicContact CD2-CD2 3.92Å; L165-A239 HydrophobicContact CD2-CB 3.68Å
166	D	97.4	Very high	91.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	157.3	176.8	-157.6	15.2	0	0	0	111.2	L183 F241 R499 T508 H509	D166-L183 HydrophobicContact CB-CB 4.17Å; D166-L183 HydrophobicContact CB-CD2 4.42Å; D166-L183 PolarHBondContact N-O 2.98Å; D166-L183 PolarHBondContact O-N 2.83Å; D166-F241 HydrophobicContact CB-CD2 4.08Å; D166-F241 HydrophobicContact CB-CE2 4.29Å; D166-F241 PolarHBondContact OD2-N 2.8Å; D166-R499 IonicContact OD1-NH1 3.9Å; D166-R499 PolarHBondContact OD1-NH1 2.86Å; D166-T508 PolarHBondContact OD1-OG1 3.06Å; D166-T508 WeakPolarHBondContact OD2-CB 3.31Å; D166-T508 PolarHBondContact OD2-OG1 3.28Å; D166-H509 IonicContact OD1-CE1 3.05Å; D166-H509 IonicContact OD1-ND1 3.02Å; D166-H509 IonicContact OD2-ND1 2.97Å
167	C	97.3	Very high	91.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	153.6	171.8	67.9	0	0	0	0	113	Q117 P119 S125 L164 D181	Q117-C167 WeakPolarHBondContact CB-SG 3.29Å; P119-C167 HydrophobicContact CB-CB 4.41Å; S125-C167 PolarHBondContact OG-SG 3.04Å; L164-C167 HydrophobicContact CD1-CB 4.38Å; L164-C167 HydrophobicContact CD2-CB 4.45Å; C167-D181 CarbonylContact C-O 3.56Å; C167-D181 WeakPolarHBondContact CA-O 3.42Å; C167-D181 VanDerWaalsContact CB-O 3.27Å; C167-D181 WeakPolarHBondContact CB-O 3.31Å
168	L	96	Very high	91.7	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	137.4	-178.7	-79.3	170.9	0	0	0	111	L180 D181 F241 E242 C245 W503 T508	L168-L180 CarbonylContact O-C 3.6Å; L168-L180 WeakPolarHBondContact O-CA 3.4Å; L168-D181 PolarHBondContact N-O 3.12Å; L168-D181 PolarHBondContact O-N 3.39Å; L168-F241 HydrophobicContact CD1-CB 3.56Å; L168-F241 HydrophobicContact CD1-CD2 4.11Å; L168-F241 HydrophobicContact CD1-CG 4.17Å; L168-F241 HydrophobicContact CG-CD2 4.38Å; L168-E242 WeakPolarHBondContact CD1-O 3.26Å; L168-C245 WeakPolarHBondContact CD1-SG 3.46Å; L168-W503 HydrophobicContact CD2-CD2 4.07Å; L168-W503 VanDerWaalsContact CD2-CE2 3.43Å; L168-W503 HydrophobicContact CD2-CG 3.96Å; L168-W503 HydrophobicContact CD2-CZ2 3.93Å; L168-T508 HydrophobicContact CD1-CG2 3.66Å; L168-T508 HydrophobicContact CD2-CG2 3.64Å; L168-T508 HydrophobicContact CG-CG2 3.71Å
169	L	94.4	Very high	92	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.099	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113.4	173	179.3	71.5	0	0	0	108.7	P119 A120 Y123 L178 F179 L180 W222	P119-L169 HydrophobicContact CB-CB 3.73Å; P119-L169 HydrophobicContact CG-CB 4.3Å; P119-L169 PolarHBondContact O-N 3.35Å; A120-L169 HydrophobicContact CB-CB 4.22Å; A120-L169 HydrophobicContact CB-CD2 4.27Å; Y123-L169 HydrophobicContact CD1-CD2 3.9Å; Y123-L169 HydrophobicContact CD2-CD2 3.79Å; Y123-L169 HydrophobicContact CE1-CD2 3.93Å; Y123-L169 HydrophobicContact CE2-CD2 3.85Å; Y123-L169 HydrophobicContact CG-CD2 3.82Å; L169-L178 HydrophobicContact CD1-CB 4.25Å; L169-L178 HydrophobicContact CD1-CD2 4.36Å; L169-F179 CarbonylContact C-O 3.57Å; L169-F179 WeakPolarHBondContact CA-O 3.49Å; L169-L180 HydrophobicContact CB-CD1 4.42Å; L169-L180 HydrophobicContact CD1-CB 4.21Å; L169-W222 HydrophobicContact CD1-CH2 3.73Å; L169-W222 HydrophobicContact CD1-CZ2 4.42Å
170	N	91.1	Very high	92.3	Very high	31 Å²	31	46.3 Å²	46.3	17%	0.166	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	145	177.2	-73.4	-59.9	0	0	0	110.1	L178 F179 K504	N170-L178 WeakPolarHBondContact O-CA 3.2Å; N170-F179 PolarHBondContact N-O 3.07Å; N170-F179 PolarHBondContact O-N 3.1Å; N170-K504 WeakPolarHBondContact OD1-CE 3.25Å; N170-K504 PolarHBondContact OD1-NZ 3.22Å
171	Y	89.7	Confident	92.7	Very high	86 Å²	86	38.4 Å²	38.4	34%	0.337	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.2	167.2	-178.4	-107.2	0	0	0	108.8	D173 H176 L178 E217	Y171-D173 WeakPolarHBondContact CD1-OD1 3.28Å; Y171-D173 HydrophobicContact CE1-CB 4.43Å; Y171-D173 WeakPolarHBondContact CE1-OD1 3.28Å; Y171-H176 PolarHBondContact OH-ND1 2.89Å; Y171-H176 VanDerWaalsContact OH-ND1 3.08Å; Y171-L178 HydrophobicContact CD2-CD2 3.75Å; Y171-L178 HydrophobicContact CD2-CG 4.24Å; Y171-L178 HydrophobicContact CG-CD2 4.43Å; Y171-E217 HydrophobicContact CE2-CB 4.29Å; Y171-E217 HydrophobicContact CE2-CG 4.43Å; Y171-E217 VanDerWaalsContact CE2-OE2 3.23Å; Y171-E217 WeakPolarHBondContact CE2-OE2 3.41Å; Y171-E217 PolarHBondContact OH-OE2 3.47Å
172	D	89.1	Confident	93.2	Very high	50 Å²	50	37 Å²	37	27%	0.267	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	107.2	171.4	175	16.3	0	0	0	109.5	T174 S175 H176 Q177 F179	D172-T174 VanDerWaalsContact CG-OG1 3.28Å; D172-T174 PolarHBondContact O-N 3.14Å; D172-T174 VanDerWaalsContact O-N 3.16Å; D172-T174 WeakPolarHBondContact OD1-CB 3.34Å; D172-T174 PolarHBondContact OD1-N 2.88Å; D172-T174 PolarHBondContact OD1-OG1 3.16Å; D172-T174 PolarHBondContact OD2-OG1 2.91Å; D172-S175 WeakPolarHBondContact CB-OG 3.48Å; D172-S175 VanDerWaalsContact CG-OG 3.23Å; D172-S175 PolarHBondContact O-N 2.82Å; D172-S175 VanDerWaalsContact OD2-CB 3.23Å; D172-S175 WeakPolarHBondContact OD2-CB 3.17Å; D172-S175 PolarHBondContact OD2-N 2.71Å; D172-S175 PolarHBondContact OD2-OG 3.31Å; D172-H176 WeakPolarHBondContact O-CA 3.47Å; D172-H176 PolarHBondContact O-N 2.8Å; D172-Q177 PolarHBondContact N-O 3.44Å; D172-F179 HydrophobicContact CB-CD2 4.09Å; D172-F179 HydrophobicContact CB-CE2 3.79Å
173	D	86.6	Confident	93.5	Very high	121 Å²	121	37 Å²	37	65%	0.647	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.8	178.2	-66.3	-53.5	0	0	0	112.6	Y171 H176	Y171-D173 WeakPolarHBondContact CD1-OD1 3.28Å; Y171-D173 HydrophobicContact CE1-CB 4.43Å; Y171-D173 WeakPolarHBondContact CE1-OD1 3.28Å; D173-H176 PolarHBondContact O-CE1 2.96Å
174	T	89.1	Confident	93.7	Very high	122 Å²	122	35.9 Å²	35.9	75%	0.748	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-39.1	-174.4	68	0	0	0	0	112.8	D172	D172-T174 VanDerWaalsContact CG-OG1 3.28Å; D172-T174 PolarHBondContact O-N 3.14Å; D172-T174 VanDerWaalsContact O-N 3.16Å; D172-T174 WeakPolarHBondContact OD1-CB 3.34Å; D172-T174 PolarHBondContact OD1-N 2.88Å; D172-T174 PolarHBondContact OD1-OG1 3.16Å; D172-T174 PolarHBondContact OD2-OG1 2.91Å
175	S	88.5	Confident	93.7	Very high	48 Å²	48	35.8 Å²	35.8	34%	0.336	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-9.1	177.6	65	0	0	0	0	113.4	D172 Q177	D172-S175 WeakPolarHBondContact CB-OG 3.48Å; D172-S175 VanDerWaalsContact CG-OG 3.23Å; D172-S175 PolarHBondContact O-N 2.82Å; D172-S175 VanDerWaalsContact OD2-CB 3.23Å; D172-S175 WeakPolarHBondContact OD2-CB 3.17Å; D172-S175 PolarHBondContact OD2-N 2.71Å; D172-S175 PolarHBondContact OD2-OG 3.31Å; S175-Q177 PolarHBondContact O-N 2.84Å; S175-Q177 WeakPolarHBondContact OG-CB 3.47Å
176	H	88.7	Confident	93.6	Very high	114 Å²	114	35 Å²	35	53%	0.528	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	37.9	-171.2	-62	-66.6	0	0	0	112.3	Y171 D172 D173	Y171-H176 PolarHBondContact OH-ND1 2.89Å; Y171-H176 VanDerWaalsContact OH-ND1 3.08Å; D172-H176 WeakPolarHBondContact O-CA 3.47Å; D172-H176 PolarHBondContact O-N 2.8Å; D173-H176 PolarHBondContact O-CE1 2.96Å
177	Q	91.4	Very high	93.3	Very high	47 Å²	47	35.2 Å²	35.2	22%	0.22	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.4	178.8	-62.5	-63.7	-57.5	0	0	110.7	D172 S175 F179 S215	D172-Q177 PolarHBondContact N-O 3.44Å; S175-Q177 PolarHBondContact O-N 2.84Å; S175-Q177 WeakPolarHBondContact OG-CB 3.47Å; Q177-F179 HydrophobicContact CB-CD2 4.29Å; Q177-F179 HydrophobicContact CB-CE2 3.71Å; Q177-F179 HydrophobicContact CB-CZ 4.15Å; Q177-S215 PolarHBondContact OE1-O 3.32Å
178	L	93.3	Very high	93	Very high	20 Å²	20	35.4 Å²	35.4	11%	0.105	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.4	163.5	-68.6	167.8	0	0	0	108.8	L169 N170 Y171 S214 S215 W222	L169-L178 HydrophobicContact CD1-CB 4.25Å; L169-L178 HydrophobicContact CD1-CD2 4.36Å; N170-L178 WeakPolarHBondContact O-CA 3.2Å; Y171-L178 HydrophobicContact CD2-CD2 3.75Å; Y171-L178 HydrophobicContact CD2-CG 4.24Å; Y171-L178 HydrophobicContact CG-CD2 4.43Å; L178-S214 CarbonylContact O-C 3.58Å; L178-S214 VanDerWaalsContact O-CA 3.23Å; L178-S214 WeakPolarHBondContact O-CA 3.39Å; L178-S215 PolarHBondContact N-O 2.91Å; L178-S215 PolarHBondContact O-N 3.34Å; L178-W222 HydrophobicContact CB-CH2 3.83Å; L178-W222 HydrophobicContact CB-CZ3 4.28Å; L178-W222 WeakPolarHBondContact O-CZ3 3.49Å
179	F	94.7	Very high	92.7	Very high	57 Å²	57	42.8 Å²	42.8	25%	0.25	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.9	173.8	-71.1	-87.4	0	0	0	109.8	L169 N170 D172 Q177 Y213 V225	L169-F179 CarbonylContact C-O 3.57Å; L169-F179 WeakPolarHBondContact CA-O 3.49Å; N170-F179 PolarHBondContact N-O 3.07Å; N170-F179 PolarHBondContact O-N 3.1Å; D172-F179 HydrophobicContact CB-CD2 4.09Å; D172-F179 HydrophobicContact CB-CE2 3.79Å; Q177-F179 HydrophobicContact CB-CD2 4.29Å; Q177-F179 HydrophobicContact CB-CE2 3.71Å; Q177-F179 HydrophobicContact CB-CZ 4.15Å; F179-Y213 CarbonylContact C-O 3.58Å; F179-Y213 VanDerWaalsContact CA-O 3.26Å; F179-Y213 WeakPolarHBondContact CA-O 3.42Å; F179-V225 HydrophobicContact CE1-CG2 4.28Å
180	L	96.1	Very high	92.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.9	175.6	175.7	67.8	0	0	0	108.7	P119 L133 I153 L168 L169 Y213 W222	P119-L180 HydrophobicContact CB-CD1 4.13Å; L133-L180 HydrophobicContact CD2-CD2 4.29Å; I153-L180 HydrophobicContact CD1-CD2 3.95Å; L168-L180 CarbonylContact O-C 3.6Å; L168-L180 WeakPolarHBondContact O-CA 3.4Å; L169-L180 HydrophobicContact CB-CD1 4.42Å; L169-L180 HydrophobicContact CD1-CB 4.21Å; L180-Y213 HydrophobicContact CD2-CD2 4.41Å; L180-Y213 HydrophobicContact CG-CD2 4.46Å; L180-Y213 PolarHBondContact N-O 3.46Å; L180-Y213 WeakPolarHBondContact O-CD2 3.37Å; L180-Y213 PolarHBondContact O-N 2.76Å; L180-W222 HydrophobicContact CB-CE3 4.21Å; L180-W222 HydrophobicContact CB-CH2 3.67Å; L180-W222 HydrophobicContact CB-CZ2 4.41Å; L180-W222 HydrophobicContact CB-CZ3 3.56Å
181	D	97.5	Very high	92.1	Very high	11 Å²	11	44.5 Å²	44.5	6%	0.059	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.8	172.1	-70.9	-78.9	0	0	0	109.5	C167 L168 W210 S212 F241 C245	C167-D181 CarbonylContact C-O 3.56Å; C167-D181 WeakPolarHBondContact CA-O 3.42Å; C167-D181 VanDerWaalsContact CB-O 3.27Å; C167-D181 WeakPolarHBondContact CB-O 3.31Å; L168-D181 PolarHBondContact N-O 3.12Å; L168-D181 PolarHBondContact O-N 3.39Å; D181-W210 PolarHBondContact OD1-NE1 2.88Å; D181-S212 VanDerWaalsContact OD1-CB 3.31Å; D181-S212 WeakPolarHBondContact OD1-CB 3.41Å; D181-S212 PolarHBondContact OD1-OG 3.27Å; D181-F241 HydrophobicContact CB-CE2 4.16Å; D181-F241 HydrophobicContact CB-CZ 4.28Å; D181-C245 VanDerWaalsContact CG-SG 3.6Å; D181-C245 PolarHBondContact OD2-SG 3.36Å
182	C	98.4	Very high	91.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.8	177.9	-66.4	0	0	0	0	110.3	L164 F184 W210 I211	L164-C182 HydrophobicContact CD1-CB 3.84Å; C182-F184 HydrophobicContact CB-CD2 4.16Å; C182-F184 HydrophobicContact CB-CE2 3.43Å; C182-F184 VanDerWaalsContact CB-CE2 3.43Å; C182-F184 HydrophobicContact CB-CZ 3.97Å; C182-W210 WeakPolarHBondContact O-CA 3.33Å; C182-I211 PolarHBondContact N-O 2.92Å; C182-I211 PolarHBondContact O-N 3.08Å
183	L	98.5	Very high	91	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113.3	172.7	-174.2	66.3	0	0	0	109.4	L165 D166 L208 E209 W210 A239 F241 L248	L165-L183 HydrophobicContact CB-CD2 4.33Å; L165-L183 HydrophobicContact CB-CG 4.39Å; L165-L183 HydrophobicContact CD2-CD2 4.07Å; L165-L183 HydrophobicContact CG-CD2 4.37Å; L165-L183 PolarHBondContact N-O 2.98Å; D166-L183 HydrophobicContact CB-CB 4.17Å; D166-L183 HydrophobicContact CB-CD2 4.42Å; D166-L183 PolarHBondContact N-O 2.98Å; D166-L183 PolarHBondContact O-N 2.83Å; L183-L208 HydrophobicContact CD1-CB 4.32Å; L183-L208 HydrophobicContact CD1-CD2 4.28Å; L183-L208 HydrophobicContact CD2-CD2 4.45Å; L183-L208 HydrophobicContact CG-CD2 4.29Å; L183-E209 WeakPolarHBondContact CA-O 3.4Å; L183-W210 HydrophobicContact CD1-CB 4.36Å; L183-A239 HydrophobicContact CD2-CB 3.74Å; L183-F241 HydrophobicContact CB-CE1 4.33Å; L183-F241 HydrophobicContact CB-CE2 3.79Å; L183-F241 HydrophobicContact CB-CZ 3.57Å; L183-L248 HydrophobicContact CD1-CD1 4.25Å; L183-L248 HydrophobicContact CD1-CD2 3.93Å; L183-L248 HydrophobicContact CD2-CD1 3.63Å
184	F	97.8	Very high	90.7	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	147.1	173.9	-63.4	-87.9	0	0	0	110.8	Y127 L133 P155 V157 Q163 L164 C182 L208 E209 I211	Y127-F184 HydrophobicContact CD1-CE1 4.31Å; Y127-F184 AromaticContact CD2-CE1 3.72Å; Y127-F184 HydrophobicContact CD2-CE1 3.72Å; Y127-F184 HydrophobicContact CD2-CZ 4.46Å; Y127-F184 HydrophobicContact CE1-CE1 4.48Å; Y127-F184 AromaticContact CE2-CE1 3.91Å; Y127-F184 HydrophobicContact CE2-CE1 3.91Å; Y127-F184 AromaticContact CG-CE1 3.92Å; Y127-F184 HydrophobicContact CG-CE1 3.92Å; L133-F184 HydrophobicContact CD2-CZ 4.35Å; P155-F184 HydrophobicContact CB-CE1 4.48Å; P155-F184 HydrophobicContact CB-CE2 3.91Å; P155-F184 HydrophobicContact CB-CZ 3.82Å; P155-F184 HydrophobicContact CG-CE1 4.17Å; P155-F184 HydrophobicContact CG-CE2 4.08Å; P155-F184 HydrophobicContact CG-CZ 3.52Å; V157-F184 HydrophobicContact CG1-CB 3.75Å; V157-F184 HydrophobicContact CG1-CD1 3.97Å; V157-F184 HydrophobicContact CG1-CD2 3.72Å; V157-F184 HydrophobicContact CG1-CE2 4.3Å; V157-F184 HydrophobicContact CG1-CG 3.53Å; Q163-F184 CarbonylContact O-C 3.49Å; Q163-F184 VanDerWaalsContact O-CA 3.26Å; Q163-F184 WeakPolarHBondContact O-CA 3.33Å; L164-F184 HydrophobicContact CB-CD1 4.43Å; L164-F184 HydrophobicContact CB-CE1 4.22Å; L164-F184 HydrophobicContact CD1-CD1 4.17Å; L164-F184 HydrophobicContact CD1-CE1 3.76Å; L164-F184 HydrophobicContact CD1-CE2 4.28Å; L164-F184 HydrophobicContact CD1-CZ 3.82Å; C182-F184 HydrophobicContact CB-CD2 4.16Å; C182-F184 HydrophobicContact CB-CE2 3.43Å; C182-F184 VanDerWaalsContact CB-CE2 3.43Å; C182-F184 HydrophobicContact CB-CZ 3.97Å; F184-L208 CarbonylContact O-C 3.58Å; F184-L208 WeakPolarHBondContact O-CA 3.41Å; F184-E209 HydrophobicContact CB-CB 4.39Å; F184-E209 PolarHBondContact N-O 2.79Å; F184-E209 PolarHBondContact O-N 2.79Å; F184-I211 HydrophobicContact CD2-CD1 4.05Å; F184-I211 HydrophobicContact CD2-CG1 4.35Å; F184-I211 HydrophobicContact CE2-CD1 4.15Å
185	V	96.4	Very high	90.1	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.3	171.6	66.2	0	0	0	0	110.2	S162 Q163 L165 T206 Y207 L208 F235 P236	S162-V185 CarbonylContact C-O 3.42Å; S162-V185 VanDerWaalsContact CA-O 3.25Å; S162-V185 WeakPolarHBondContact CA-O 3.4Å; S162-V185 WeakPolarHBondContact CB-O 3.28Å; Q163-V185 HydrophobicContact CB-CG1 3.91Å; Q163-V185 PolarHBondContact N-O 2.78Å; Q163-V185 PolarHBondContact O-N 3.5Å; L165-V185 HydrophobicContact CB-CG1 4.21Å; L165-V185 HydrophobicContact CD2-CB 4.3Å; L165-V185 HydrophobicContact CD2-CG1 4.32Å; V185-T206 HydrophobicContact CG2-CG2 3.64Å; V185-Y207 WeakPolarHBondContact CA-O 3.3Å; V185-L208 HydrophobicContact CB-CD2 3.66Å; V185-L208 HydrophobicContact CG2-CD2 3.73Å; V185-L208 HydrophobicContact CG2-CG 4.47Å; V185-F235 HydrophobicContact CB-CE2 4.48Å; V185-F235 HydrophobicContact CB-CZ 4.5Å; V185-F235 HydrophobicContact CG1-CE2 4.2Å; V185-F235 HydrophobicContact CG1-CZ 3.91Å; V185-F235 HydrophobicContact CG2-CD2 4.25Å; V185-F235 HydrophobicContact CG2-CE2 3.46Å; V185-F235 VanDerWaalsContact CG2-CE2 3.46Å; V185-F235 HydrophobicContact CG2-CZ 3.78Å; V185-P236 HydrophobicContact CG2-CG 4.41Å
186	G	93.1	Very high	89.5	Confident	6 Å²	6	43.2 Å²	43.2	6%	0.062	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146	179.2	0	0	0	0	0	111.4	T206 Y207	G186-T206 CarbonylContact O-C 3.08Å; G186-T206 WeakPolarHBondContact O-CA 3.35Å; G186-Y207 PolarHBondContact N-O 3.06Å; G186-Y207 PolarHBondContact O-N 3.01Å
187	V	92.2	Very high	88.9	Confident	4 Å²	4	38 Å²	38	2%	0.024	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.3	172.5	-177.4	0	0	0	0	107.5	Q49 H50 A53 Y204 V205 F235	Q49-V187 HydrophobicContact CB-CG1 3.8Å; Q49-V187 HydrophobicContact CB-CG2 3.98Å; H50-V187 VanDerWaalsContact CE1-CG1 3.42Å; H50-V187 WeakPolarHBondContact CE1-CG1 3.47Å; A53-V187 HydrophobicContact CB-CG2 3.97Å; V187-Y204 HydrophobicContact CG1-CD1 4.41Å; V187-V205 WeakPolarHBondContact CA-O 3.3Å; V187-F235 HydrophobicContact CG2-CD2 3.96Å; V187-F235 HydrophobicContact CG2-CE2 4.24Å
188	S	90.4	Very high	87.8	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.028	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	164.1	177.9	75.5	0	0	0	0	111.3	E159 K190 Y204 V205 Y207	E159-S188 WeakPolarHBondContact OE1-CB 3.29Å; S188-K190 PolarHBondContact O-N 2.91Å; S188-Y204 VanDerWaalsContact O-CA 3.29Å; S188-Y204 WeakPolarHBondContact O-CA 3.37Å; S188-Y204 WeakPolarHBondContact O-CD1 3.2Å; S188-V205 PolarHBondContact N-O 3.34Å; S188-V205 PolarHBondContact O-N 2.97Å; S188-Y207 WeakPolarHBondContact OG-CE2 3.33Å
189	K	89.8	Confident	86.7	Confident	155 Å²	155	45 Å²	45	67%	0.674	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	131.2	173.3	-169.9	177	-179.1	-179.6	0	108.7	S191 Y204	K189-S191 PolarHBondContact O-N 2.87Å; K189-Y204 HydrophobicContact CB-CD1 4.37Å; K189-Y204 HydrophobicContact CB-CE1 4.24Å
190	K	87.9	Confident	85.7	Confident	41 Å²	41	43.6 Å²	43.6	18%	0.178	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-53.7	129.5	176.8	-170.8	-175.1	-165.4	174.3	0	110.7	S188 D194 C197 N198 S200 N203 V205	S188-K190 PolarHBondContact O-N 2.91Å; K190-D194 HydrophobicContact CG-CB 3.94Å; K190-C197 WeakPolarHBondContact CE-O 3.4Å; K190-C197 PolarHBondContact NZ-O 3.34Å; K190-N198 VanDerWaalsContact CE-CA 3.41Å; K190-N198 WeakPolarHBondContact CE-OD1 3.41Å; K190-N198 VanDerWaalsContact NZ-C 3.3Å; K190-N198 PolarHBondContact NZ-O 2.93Å; K190-S200 PolarHBondContact NZ-O 3.02Å; K190-N203 VanDerWaalsContact CB-O 3.24Å; K190-N203 WeakPolarHBondContact CB-O 3.31Å; K190-N203 PolarHBondContact N-O 2.86Å; K190-V205 HydrophobicContact CB-CG1 4.18Å; K190-V205 HydrophobicContact CG-CG1 4.03Å
191	S	84.2	Confident	84.8	Confident	45 Å²	45	50.7 Å²	50.7	32%	0.315	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-101.7	169.9	177.2	71.2	0	0	0	0	111	K189 E193 D194	K189-S191 PolarHBondContact O-N 2.87Å; S191-E193 PolarHBondContact O-N 3.12Å; S191-E193 PolarHBondContact OG-N 2.74Å; S191-D194 PolarHBondContact N-OD2 2.95Å; S191-D194 PolarHBondContact O-N 3.33Å; S191-D194 PolarHBondContact OG-OD2 3.47Å
192	E	78.1	Confident	84.1	Confident	181 Å²	181	51.8 Å²	51.8	85%	0.846	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.4	173.2	-64.2	-177.2	174.7	0	0	112.6	L195	E192-L195 WeakPolarHBondContact O-CD2 3.5Å
193	E	77.5	Confident	83.6	Confident	141 Å²	141	57 Å²	57	66%	0.659	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-15.7	179	-58.8	-178.2	174	0	0	113.1	S191 L195 Y271	S191-E193 PolarHBondContact O-N 3.12Å; S191-E193 PolarHBondContact OG-N 2.74Å; E193-L195 PolarHBondContact O-N 3.04Å; E193-Y271 PolarHBondContact O-OH 3.46Å
194	D	81.6	Confident	83.2	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.011	31%	0.305	C	S	.	.			trans	-81.2	46.6	-179.1	-62.5	-55.8	0	0	0	112.7	K190 S191 I196 C197 N198 V205 Y207	K190-D194 HydrophobicContact CG-CB 3.94Å; S191-D194 PolarHBondContact N-OD2 2.95Å; S191-D194 PolarHBondContact O-N 3.33Å; S191-D194 PolarHBondContact OG-OD2 3.47Å; D194-I196 VanDerWaalsContact C-N 3.34Å; D194-I196 PolarHBondContact O-N 2.82Å; D194-C197 HydrophobicContact CB-CB 4.35Å; D194-C197 WeakPolarHBondContact O-CA 3.39Å; D194-C197 WeakPolarHBondContact O-CB 3.3Å; D194-C197 PolarHBondContact O-N 2.86Å; D194-N198 PolarHBondContact O-N 3.3Å; D194-V205 HydrophobicContact CB-CG1 4.2Å; D194-Y207 PolarHBondContact OD1-OH 2.82Å; D194-Y207 PolarHBondContact OD2-OH 2.96Å; D194-Y207 VanDerWaalsContact OD2-OH 3.11Å
195	L	75.9	Confident	83	Confident	35 Å²	35	59.8 Å²	59.8	18%	0.183	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-49.7	-45.2	-169.9	-61.8	171.9	0	0	0	114.3	E192 E193 C197 N198 Y271 L272 Y275	E192-L195 WeakPolarHBondContact O-CD2 3.5Å; E193-L195 PolarHBondContact O-N 3.04Å; L195-C197 VanDerWaalsContact C-N 3.27Å; L195-C197 PolarHBondContact O-N 3.46Å; L195-N198 VanDerWaalsContact O-CB 3.27Å; L195-N198 WeakPolarHBondContact O-CB 3.35Å; L195-N198 PolarHBondContact O-N 3.14Å; L195-Y271 PolarHBondContact N-OH 2.99Å; L195-L272 HydrophobicContact CD1-CD2 3.56Å; L195-Y275 HydrophobicContact CB-CD1 3.9Å; L195-Y275 HydrophobicContact CB-CD2 3.68Å; L195-Y275 HydrophobicContact CB-CE1 4.01Å; L195-Y275 HydrophobicContact CB-CE2 3.82Å; L195-Y275 HydrophobicContact CB-CG 3.69Å; L195-Y275 HydrophobicContact CD1-CD1 3.77Å; L195-Y275 HydrophobicContact CD1-CE1 4.07Å; L195-Y275 HydrophobicContact CD1-CG 4.22Å; L195-Y275 HydrophobicContact CD2-CD1 4.37Å; L195-Y275 HydrophobicContact CD2-CE1 3.84Å; L195-Y275 HydrophobicContact CG-CD1 4.23Å; L195-Y275 HydrophobicContact CG-CE1 4.19Å; L195-Y275 HydrophobicContact CG-CG 4.49Å; L195-Y275 VanDerWaalsContact O-CE2 3.27Å; L195-Y275 WeakPolarHBondContact O-CE2 3.47Å
196	I	76.1	Confident	83	Confident	41 Å²	41	59.7 Å²	59.7	21%	0.21	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-72.1	-23.6	-179.3	-62.9	-173.6	0	0	0	112	D194 N198 H257 Y271 K274	D194-I196 VanDerWaalsContact C-N 3.34Å; D194-I196 PolarHBondContact O-N 2.82Å; I196-N198 VanDerWaalsContact C-N 3.29Å; I196-H257 HydrophobicContact CD1-CB 4.49Å; I196-Y271 HydrophobicContact CB-CE2 3.95Å; I196-Y271 HydrophobicContact CD1-CD2 3.4Å; I196-Y271 HydrophobicContact CD1-CE2 3.24Å; I196-Y271 HydrophobicContact CD1-CG 4.46Å; I196-Y271 HydrophobicContact CG1-CD2 4.08Å; I196-Y271 HydrophobicContact CG1-CE2 3.44Å; I196-Y271 VanDerWaalsContact CG1-CE2 3.44Å; I196-Y271 PolarHBondContact N-OH 3.42Å; I196-K274 HydrophobicContact CD1-CB 4.46Å
197	C	76.3	Confident	83.1	Confident	4 Å²	4	60.1 Å²	60.1	3%	0.027	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-84.5	-4.4	176.1	-62.8	0	0	0	0	111.8	K190 D194 L195 D199 S200 V205	K190-C197 WeakPolarHBondContact CE-O 3.4Å; K190-C197 PolarHBondContact NZ-O 3.34Å; D194-C197 HydrophobicContact CB-CB 4.35Å; D194-C197 WeakPolarHBondContact O-CA 3.39Å; D194-C197 WeakPolarHBondContact O-CB 3.3Å; D194-C197 PolarHBondContact O-N 2.86Å; L195-C197 VanDerWaalsContact C-N 3.27Å; L195-C197 PolarHBondContact O-N 3.46Å; C197-D199 PolarHBondContact O-N 3.01Å; C197-D199 VanDerWaalsContact O-N 3.15Å; C197-S200 WeakPolarHBondContact O-CB 3.33Å; C197-S200 PolarHBondContact O-N 3.06Å; C197-S200 PolarHBondContact O-OG 2.58Å; C197-V205 HydrophobicContact CB-CG1 3.67Å
198	N	68.9	Low	83.4	Confident	64 Å²	64	60 Å²	60	34%	0.342	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-36.1	-172.8	-81.3	-19.2	0	0	0	114.5	K190 D194 L195 I196 S200	K190-N198 VanDerWaalsContact CE-CA 3.41Å; K190-N198 WeakPolarHBondContact CE-OD1 3.41Å; K190-N198 VanDerWaalsContact NZ-C 3.3Å; K190-N198 PolarHBondContact NZ-O 2.93Å; D194-N198 PolarHBondContact O-N 3.3Å; L195-N198 VanDerWaalsContact O-CB 3.27Å; L195-N198 WeakPolarHBondContact O-CB 3.35Å; L195-N198 PolarHBondContact O-N 3.14Å; I196-N198 VanDerWaalsContact C-N 3.29Å; N198-S200 PolarHBondContact O-N 2.89Å
199	D	69.5	Low	83.7	Confident	151 Å²	151	59.9 Å²	59.9	81%	0.807	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.1	-178.6	-50.5	-33.7	0	0	0	113.6	C197	C197-D199 PolarHBondContact O-N 3.01Å; C197-D199 VanDerWaalsContact O-N 3.15Å
200	S	74.2	Confident	84.1	Confident	28 Å²	28	52.5 Å²	52.5	20%	0.196	27%	0.27	C	S	.	.	S	Bend	trans	-74	134.2	176.8	78.8	0	0	0	0	111.7	K190 C197 N198 S202	K190-S200 PolarHBondContact NZ-O 3.02Å; C197-S200 WeakPolarHBondContact O-CB 3.33Å; C197-S200 PolarHBondContact O-N 3.06Å; C197-S200 PolarHBondContact O-OG 2.58Å; N198-S200 PolarHBondContact O-N 2.89Å; S200-S202 PolarHBondContact O-N 3.26Å; S200-S202 PolarHBondContact OG-O 2.77Å
201	I	77.5	Confident	84.6	Confident	149 Å²	149	50.6 Å²	50.6	76%	0.764	26%	0.261	S	S	*	.	S	Bend	trans	-58.6	-29	174.7	-56	169	0	0	0	111.9
202	S	82.4	Confident	85.2	Confident	33 Å²	33	48.8 Å²	48.8	23%	0.231	25%	0.249	C	C	.	.			trans	-70.9	135.1	178.1	-171.5	0	0	0	0	112	Q49 S200 Y204	Q49-S202 PolarHBondContact NE2-OG 2.81Å; Q49-S202 VanDerWaalsContact NE2-OG 3.08Å; Q49-S202 PolarHBondContact OE1-OG 3.16Å; Q49-S202 VanDerWaalsContact OE1-OG 3.07Å; S200-S202 PolarHBondContact O-N 3.26Å; S200-S202 PolarHBondContact OG-O 2.77Å; S202-Y204 PolarHBondContact O-N 3.38Å; S202-Y204 PolarHBondContact OG-N 2.81Å; S202-Y204 PolarHBondContact OG-O 3.33Å
203	N	87.7	Confident	86	Confident	110 Å²	110	40.3 Å²	40.3	59%	0.588	21%	0.209	S	C	*	.	S	Bend	trans	-79.5	5.4	171.2	-70.1	-41.5	0	0	0	113.3	K190	K190-N203 VanDerWaalsContact CB-O 3.24Å; K190-N203 WeakPolarHBondContact CB-O 3.31Å; K190-N203 PolarHBondContact N-O 2.86Å
204	Y	90.2	Very high	86.9	Confident	60 Å²	60	34.4 Å²	34.4	24%	0.235	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.9	-176.6	-64.9	-86.4	0	0	0	111.1	S46 S47 Q49 H50 V187 S188 K189 S202	S46-Y204 WeakPolarHBondContact O-CE2 3.13Å; S47-Y204 VanDerWaalsContact CB-CD2 3.44Å; Q49-Y204 PolarHBondContact NE2-O 2.87Å; H50-Y204 AromaticContact CE1-CD1 3.45Å; H50-Y204 VanDerWaalsContact CE1-CD1 3.45Å; H50-Y204 WeakPolarHBondContact CE1-CD1 3.22Å; H50-Y204 AromaticContact CE1-CE1 3.5Å; H50-Y204 AromaticContact CE1-CG 4Å; V187-Y204 HydrophobicContact CG1-CD1 4.41Å; S188-Y204 VanDerWaalsContact O-CA 3.29Å; S188-Y204 WeakPolarHBondContact O-CA 3.37Å; S188-Y204 WeakPolarHBondContact O-CD1 3.2Å; K189-Y204 HydrophobicContact CB-CD1 4.37Å; K189-Y204 HydrophobicContact CB-CE1 4.24Å; S202-Y204 PolarHBondContact O-N 3.38Å; S202-Y204 PolarHBondContact OG-N 2.81Å; S202-Y204 PolarHBondContact OG-O 3.33Å
205	V	93.5	Very high	87.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	159.6	175	-65.4	0	0	0	0	109.9	V187 S188 K190 D194 C197 Y207 V231	V187-V205 WeakPolarHBondContact CA-O 3.3Å; S188-V205 PolarHBondContact N-O 3.34Å; S188-V205 PolarHBondContact O-N 2.97Å; K190-V205 HydrophobicContact CB-CG1 4.18Å; K190-V205 HydrophobicContact CG-CG1 4.03Å; D194-V205 HydrophobicContact CB-CG1 4.2Å; C197-V205 HydrophobicContact CB-CG1 3.67Å; V205-Y207 HydrophobicContact CG2-CD2 4.42Å; V205-Y207 HydrophobicContact CG2-CE2 3.79Å; V205-V231 HydrophobicContact CB-CG2 3.88Å; V205-V231 HydrophobicContact CG1-CG2 4.38Å; V205-V231 HydrophobicContact CG2-CG2 4.18Å
206	T	95.1	Very high	87.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.4	174	-58	0	0	0	0	109.2	V185 G186 V231 A232 F235 F256	V185-T206 HydrophobicContact CG2-CG2 3.64Å; G186-T206 CarbonylContact O-C 3.08Å; G186-T206 WeakPolarHBondContact O-CA 3.35Å; T206-V231 WeakPolarHBondContact O-CA 3.47Å; T206-A232 PolarHBondContact N-O 2.89Å; T206-A232 PolarHBondContact O-N 2.92Å; T206-F235 HydrophobicContact CG2-CD2 3.75Å; T206-F235 HydrophobicContact CG2-CE2 4.21Å; T206-F256 HydrophobicContact CG2-CZ 4.19Å
207	Y	96.1	Very high	87.9	Confident	15 Å²	15	38.2 Å²	38.2	6%	0.059	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.3	172.2	-66.2	-70.1	0	0	0	110.6	H158 V185 G186 S188 D194 V205 F230 V231 I259	H158-Y207 AromaticContact CD2-CD2 3.64Å; H158-Y207 AromaticContact CD2-CE2 3.5Å; H158-Y207 VanDerWaalsContact CD2-CE2 3.5Å; H158-Y207 WeakPolarHBondContact CD2-CE2 3.25Å; H158-Y207 AromaticContact NE2-CE2 3.6Å; V185-Y207 WeakPolarHBondContact CA-O 3.3Å; G186-Y207 PolarHBondContact N-O 3.06Å; G186-Y207 PolarHBondContact O-N 3.01Å; S188-Y207 WeakPolarHBondContact OG-CE2 3.33Å; D194-Y207 PolarHBondContact OD1-OH 2.82Å; D194-Y207 PolarHBondContact OD2-OH 2.96Å; D194-Y207 VanDerWaalsContact OD2-OH 3.11Å; V205-Y207 HydrophobicContact CG2-CD2 4.42Å; V205-Y207 HydrophobicContact CG2-CE2 3.79Å; Y207-F230 CarbonylContact C-O 3.52Å; Y207-F230 VanDerWaalsContact CA-O 3.26Å; Y207-F230 WeakPolarHBondContact CA-O 3.41Å; Y207-V231 HydrophobicContact CD1-CB 3.84Å; Y207-V231 HydrophobicContact CD1-CG2 3.76Å; Y207-V231 HydrophobicContact CE1-CB 3.75Å; Y207-V231 HydrophobicContact CE1-CG2 3.43Å; Y207-V231 VanDerWaalsContact CE1-CG2 3.43Å; Y207-I259 HydrophobicContact CD1-CD1 4.04Å; Y207-I259 HydrophobicContact CE1-CD1 3.64Å
208	L	98.2	Very high	87.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.9	160.9	-74.2	170.1	0	0	0	108.4	L165 L183 F184 V185 K229 F230 P236 A239 I250 F256	L165-L208 HydrophobicContact CD2-CD2 3.92Å; L183-L208 HydrophobicContact CD1-CB 4.32Å; L183-L208 HydrophobicContact CD1-CD2 4.28Å; L183-L208 HydrophobicContact CD2-CD2 4.45Å; L183-L208 HydrophobicContact CG-CD2 4.29Å; F184-L208 CarbonylContact O-C 3.58Å; F184-L208 WeakPolarHBondContact O-CA 3.41Å; V185-L208 HydrophobicContact CB-CD2 3.66Å; V185-L208 HydrophobicContact CG2-CD2 3.73Å; V185-L208 HydrophobicContact CG2-CG 4.47Å; L208-K229 CarbonylContact O-C 3.35Å; L208-K229 WeakPolarHBondContact O-CA 3.37Å; L208-F230 HydrophobicContact CB-CB 4.26Å; L208-F230 HydrophobicContact CB-CD2 4.28Å; L208-F230 PolarHBondContact N-O 3.27Å; L208-F230 PolarHBondContact O-N 2.88Å; L208-P236 HydrophobicContact CD1-CG 4.28Å; L208-P236 HydrophobicContact CD2-CG 4.33Å; L208-A239 HydrophobicContact CD1-CB 4.25Å; L208-I250 HydrophobicContact CD1-CD1 3.66Å; L208-I250 HydrophobicContact CD1-CG1 4.08Å; L208-I250 HydrophobicContact CD1-CG2 4.1Å; L208-F256 HydrophobicContact CB-CE1 4.33Å; L208-F256 HydrophobicContact CD1-CD1 3.96Å; L208-F256 HydrophobicContact CD1-CE1 3.69Å; L208-F256 HydrophobicContact CD1-CE2 4.41Å; L208-F256 HydrophobicContact CD1-CG 4.44Å; L208-F256 HydrophobicContact CD1-CZ 3.94Å; L208-F256 HydrophobicContact CG-CD1 4.4Å; L208-F256 HydrophobicContact CG-CE1 3.81Å; L208-F256 HydrophobicContact CG-CZ 4.23Å
209	E	98	Very high	87.8	Confident	3 Å²	3	46.1 Å²	46.1	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.9	-178.9	-58.9	-169.9	-104.6	0	0	110.1	V157 H158 L183 F184 H227 Q228 K229	V157-E209 WeakPolarHBondContact CA-OE1 3.5Å; H158-E209 WeakPolarHBondContact CB-OE1 3.14Å; H158-E209 PolarHBondContact N-OE1 2.79Å; L183-E209 WeakPolarHBondContact CA-O 3.4Å; F184-E209 HydrophobicContact CB-CB 4.39Å; F184-E209 PolarHBondContact N-O 2.79Å; F184-E209 PolarHBondContact O-N 2.79Å; E209-H227 IonicContact OE2-CE1 2.73Å; E209-H227 PolarHBondContact OE2-CE1 2.7Å; E209-H227 VanDerWaalsContact OE2-CE1 3.31Å; E209-H227 IonicContact OE2-NE2 2.66Å; E209-H227 PolarHBondContact OE2-NE2 3.47Å; E209-Q228 CarbonylContact C-O 3.57Å; E209-Q228 WeakPolarHBondContact CA-O 3.31Å; E209-K229 HydrophobicContact CG-CD 4.45Å; E209-K229 HydrophobicContact CG-CG 4.05Å; E209-K229 WeakPolarHBondContact OE2-CE 3.41Å; E209-K229 IonicContact OE2-NZ 2.7Å; E209-K229 PolarHBondContact OE2-NZ 3.4Å
210	W	98	Very high	88	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.8	173.9	178.4	-5.9	0	0	0	108.5	D181 C182 L183 S212 H227 Q228 F241 C245 L248 H478	D181-W210 PolarHBondContact OD1-NE1 2.88Å; C182-W210 WeakPolarHBondContact O-CA 3.33Å; L183-W210 HydrophobicContact CD1-CB 4.36Å; W210-S212 PolarHBondContact NE1-OG 2.77Å; W210-H227 WeakPolarHBondContact O-CA 3.16Å; W210-Q228 HydrophobicContact CB-CB 4.29Å; W210-Q228 PolarHBondContact N-O 3.1Å; W210-Q228 PolarHBondContact O-N 2.67Å; W210-F241 AromaticContact CD1-CE1 3.91Å; W210-F241 AromaticContact CD1-CZ 3.8Å; W210-F241 HydrophobicContact CD2-CD1 4.39Å; W210-F241 AromaticContact CD2-CE1 3.46Å; W210-F241 HydrophobicContact CD2-CE1 3.46Å; W210-F241 VanDerWaalsContact CD2-CE1 3.46Å; W210-F241 HydrophobicContact CD2-CZ 4.14Å; W210-F241 AromaticContact CE2-CE1 3.37Å; W210-F241 AromaticContact CE2-CZ 3.99Å; W210-F241 AromaticContact CE3-CE1 3.9Å; W210-F241 HydrophobicContact CE3-CE1 3.9Å; W210-F241 AromaticContact CG-CE1 3.79Å; W210-F241 HydrophobicContact CG-CE1 3.79Å; W210-F241 HydrophobicContact CG-CZ 4Å; W210-F241 HydrophobicContact CH2-CD1 4.06Å; W210-F241 HydrophobicContact CH2-CE1 4.06Å; W210-F241 AromaticContact CZ2-CD1 3.92Å; W210-F241 HydrophobicContact CZ2-CD1 3.92Å; W210-F241 AromaticContact CZ2-CE1 3.69Å; W210-F241 HydrophobicContact CZ2-CE1 3.69Å; W210-F241 HydrophobicContact CZ3-CD1 4.41Å; W210-F241 HydrophobicContact CZ3-CE1 4.19Å; W210-F241 AromaticContact NE1-CE1 3.73Å; W210-F241 AromaticContact NE1-CZ 3.85Å; W210-C245 WeakPolarHBondContact CH2-O 3.4Å; W210-C245 HydrophobicContact CZ2-CB 4.08Å; W210-C245 WeakPolarHBondContact CZ2-O 3.3Å; W210-L248 HydrophobicContact CE3-CB 4.01Å; W210-L248 HydrophobicContact CE3-CD2 4.35Å; W210-L248 HydrophobicContact CZ3-CB 3.64Å; W210-H478 AromaticContact CD2-ND1 3.84Å; W210-H478 AromaticContact CE2-CE1 3.76Å; W210-H478 AromaticContact CE2-ND1 3.37Å; W210-H478 AromaticContact CE3-ND1 3.89Å; W210-H478 HydrophobicContact CH2-CB 3.55Å; W210-H478 AromaticContact CH2-CG 3.61Å; W210-H478 AromaticContact CH2-ND1 3.15Å; W210-H478 WeakPolarHBondContact CH2-ND1 3.33Å; W210-H478 HydrophobicContact CZ2-CB 4.19Å; W210-H478 AromaticContact CZ2-CE1 3.69Å; W210-H478 AromaticContact CZ2-CG 3.75Å; W210-H478 AromaticContact CZ2-ND1 3.02Å; W210-H478 WeakPolarHBondContact CZ2-ND1 3.49Å; W210-H478 HydrophobicContact CZ3-CB 4.02Å; W210-H478 AromaticContact CZ3-ND1 3.56Å
211	I	98	Very high	88.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.5	180	-43.3	-178	0	0	0	109.1	P155 P156 V157 C182 F184 Y213 I224	P155-I211 HydrophobicContact CB-CD1 4.19Å; P156-I211 HydrophobicContact CG-CD1 4.05Å; V157-I211 HydrophobicContact CG1-CD1 4.1Å; C182-I211 PolarHBondContact N-O 2.92Å; C182-I211 PolarHBondContact O-N 3.08Å; F184-I211 HydrophobicContact CD2-CD1 4.05Å; F184-I211 HydrophobicContact CD2-CG1 4.35Å; F184-I211 HydrophobicContact CE2-CD1 4.15Å; I211-Y213 HydrophobicContact CB-CE2 3.91Å; I211-Y213 HydrophobicContact CG2-CD2 4.34Å; I211-Y213 HydrophobicContact CG2-CE1 4.01Å; I211-Y213 HydrophobicContact CG2-CE2 3.62Å; I211-Y213 VanDerWaalsContact CG2-CZ 3.42Å; I211-Y213 WeakPolarHBondContact CG2-OH 3.29Å; I211-I224 HydrophobicContact CG2-CG1 4.37Å; I211-I224 HydrophobicContact CG2-CG2 4.15Å
212	S	96.7	Very high	89.2	Confident	7 Å²	7	38.9 Å²	38.9	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.9	177.9	-52.1	0	0	0	0	109.3	D181 W210 V225 R226	D181-S212 VanDerWaalsContact OD1-CB 3.31Å; D181-S212 WeakPolarHBondContact OD1-CB 3.41Å; D181-S212 PolarHBondContact OD1-OG 3.27Å; W210-S212 PolarHBondContact NE1-OG 2.77Å; S212-V225 PolarHBondContact O-N 3.45Å; S212-R226 PolarHBondContact N-O 3.31Å; S212-R226 PolarHBondContact O-N 2.96Å
213	Y	95.7	Very high	89.7	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	149.4	176.4	-54.3	-93.4	0	0	0	110.4	I153 P155 F179 L180 I211 S223 I224	I153-Y213 HydrophobicContact CG2-CD1 4.26Å; I153-Y213 HydrophobicContact CG2-CE1 3.6Å; P155-Y213 WeakPolarHBondContact CA-OH 3.42Å; P155-Y213 WeakPolarHBondContact CB-OH 3.48Å; F179-Y213 CarbonylContact C-O 3.58Å; F179-Y213 VanDerWaalsContact CA-O 3.26Å; F179-Y213 WeakPolarHBondContact CA-O 3.42Å; L180-Y213 HydrophobicContact CD2-CD2 4.41Å; L180-Y213 HydrophobicContact CG-CD2 4.46Å; L180-Y213 PolarHBondContact N-O 3.46Å; L180-Y213 WeakPolarHBondContact O-CD2 3.37Å; L180-Y213 PolarHBondContact O-N 2.76Å; I211-Y213 HydrophobicContact CB-CE2 3.91Å; I211-Y213 HydrophobicContact CG2-CD2 4.34Å; I211-Y213 HydrophobicContact CG2-CE1 4.01Å; I211-Y213 HydrophobicContact CG2-CE2 3.62Å; I211-Y213 VanDerWaalsContact CG2-CZ 3.42Å; I211-Y213 WeakPolarHBondContact CG2-OH 3.29Å; Y213-S223 CarbonylContact C-O 3.56Å; Y213-S223 WeakPolarHBondContact CA-O 3.4Å; Y213-I224 HydrophobicContact CD1-CG1 3.68Å; Y213-I224 HydrophobicContact CE1-CD1 4.27Å; Y213-I224 HydrophobicContact CE1-CG1 3.42Å; Y213-I224 VanDerWaalsContact CE1-CG1 3.42Å
214	S	94.6	Very high	90.1	Very high	17 Å²	17	39.1 Å²	39.1	12%	0.119	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.9	167.3	63.5	0	0	0	0	111.2	L178 W222 S223 V225	L178-S214 CarbonylContact O-C 3.58Å; L178-S214 VanDerWaalsContact O-CA 3.23Å; L178-S214 WeakPolarHBondContact O-CA 3.39Å; S214-W222 WeakPolarHBondContact O-CA 3.33Å; S214-S223 PolarHBondContact N-O 2.86Å; S214-S223 PolarHBondContact O-N 2.82Å; S214-S223 PolarHBondContact O-OG 2.92Å; S214-S223 PolarHBondContact OG-OG 3.22Å; S214-V225 VanDerWaalsContact CB-CG2 3.41Å; S214-V225 WeakPolarHBondContact OG-CG2 3.28Å
215	S	92.9	Very high	90.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	138.2	173.3	-163.5	0	0	0	0	111.9	Q177 L178 E217 I220 S221 W222	Q177-S215 PolarHBondContact OE1-O 3.32Å; L178-S215 PolarHBondContact N-O 2.91Å; L178-S215 PolarHBondContact O-N 3.34Å; S215-E217 PolarHBondContact O-N 3.26Å; S215-I220 VanDerWaalsContact OG-CA 3.26Å; S215-I220 WeakPolarHBondContact OG-CA 3.4Å; S215-S221 WeakPolarHBondContact CB-O 3.4Å; S215-S221 PolarHBondContact OG-N 2.85Å; S215-S221 PolarHBondContact OG-O 2.85Å; S215-W222 VanDerWaalsContact CB-CE3 3.46Å
216	P	87.1	Confident	90.4	Very high	45 Å²	45	40.7 Å²	40.7	29%	0.292	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	135.9	170.5	-19.6	31.5	0	0	0	110.6	S218 N219	P216-S218 PolarHBondContact O-N 3.1Å; P216-N219 CarbonylContact O-C 3.59Å; P216-N219 PolarHBondContact O-N 3.4Å; P216-N219 VanDerWaalsContact O-O 3.13Å
217	E	76.1	Confident	90.5	Very high	112 Å²	112	41.4 Å²	41.4	52%	0.523	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-36.9	-179.9	-172.2	-177.8	177.8	0	0	112.8	Y171 S215	Y171-E217 HydrophobicContact CE2-CB 4.29Å; Y171-E217 HydrophobicContact CE2-CG 4.43Å; Y171-E217 VanDerWaalsContact CE2-OE2 3.23Å; Y171-E217 WeakPolarHBondContact CE2-OE2 3.41Å; Y171-E217 PolarHBondContact OH-OE2 3.47Å; S215-E217 PolarHBondContact O-N 3.26Å
218	S	72.2	Confident	90.5	Very high	119 Å²	119	40.7 Å²	40.7	83%	0.832	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-24.4	-176	59.1	0	0	0	0	114.6	P216	P216-S218 PolarHBondContact O-N 3.1Å
219	N	69.6	Low	90.4	Very high	115 Å²	115	42.8 Å²	42.8	62%	0.615	24%	0.242	S	C	*	.	S	Bend	trans	-148.4	100	-178.1	-173.9	8.5	0	0	0	108.5	P216 S221	P216-N219 CarbonylContact O-C 3.59Å; P216-N219 PolarHBondContact O-N 3.4Å; P216-N219 VanDerWaalsContact O-O 3.13Å; N219-S221 PolarHBondContact O-N 2.92Å
220	I	73.3	Confident	90.4	Very high	62 Å²	62	42.6 Å²	42.6	32%	0.318	24%	0.241	S	C	.	.			trans	-76.7	70.9	-169.3	-54	172.5	0	0	0	110.2	V150 S215 W222	V150-I220 HydrophobicContact CG1-CB 4.43Å; V150-I220 HydrophobicContact CG1-CD1 3.36Å; V150-I220 HydrophobicContact CG1-CG1 4.45Å; V150-I220 HydrophobicContact CG1-CG2 3.94Å; S215-I220 VanDerWaalsContact OG-CA 3.26Å; S215-I220 WeakPolarHBondContact OG-CA 3.4Å; I220-W222 HydrophobicContact CG2-CZ2 4.13Å; I220-W222 VanDerWaalsContact CG2-NE1 3.29Å
221	S	86.3	Confident	90.2	Very high	70 Å²	70	42.6 Å²	42.6	49%	0.49	24%	0.241	S	C	.	.			trans	-102.6	113	165.1	61.4	0	0	0	0	108.5	S215 N219	S215-S221 WeakPolarHBondContact CB-O 3.4Å; S215-S221 PolarHBondContact OG-N 2.85Å; S215-S221 PolarHBondContact OG-O 2.85Å; N219-S221 PolarHBondContact O-N 2.92Å
222	W	91.7	Very high	90.1	Very high	44 Å²	44	42.7 Å²	42.7	17%	0.167	24%	0.241	C	C	.	.			trans	-82.6	135.3	-178.8	-66.2	98.1	0	0	0	111.5	L135 S151 I153 L169 L178 L180 S214 S215 I220	L135-W222 HydrophobicContact CD2-CZ2 3.68Å; S151-W222 PolarHBondContact OG-NE1 3.18Å; I153-W222 HydrophobicContact CD1-CB 3.98Å; I153-W222 HydrophobicContact CD1-CD2 4.07Å; I153-W222 HydrophobicContact CD1-CG 3.59Å; I153-W222 HydrophobicContact CG1-CB 4.21Å; I153-W222 HydrophobicContact CG1-CG 4.08Å; L169-W222 HydrophobicContact CD1-CH2 3.73Å; L169-W222 HydrophobicContact CD1-CZ2 4.42Å; L178-W222 HydrophobicContact CB-CH2 3.83Å; L178-W222 HydrophobicContact CB-CZ3 4.28Å; L178-W222 WeakPolarHBondContact O-CZ3 3.49Å; L180-W222 HydrophobicContact CB-CE3 4.21Å; L180-W222 HydrophobicContact CB-CH2 3.67Å; L180-W222 HydrophobicContact CB-CZ2 4.41Å; L180-W222 HydrophobicContact CB-CZ3 3.56Å; S214-W222 WeakPolarHBondContact O-CA 3.33Å; S215-W222 VanDerWaalsContact CB-CE3 3.46Å; I220-W222 HydrophobicContact CG2-CZ2 4.13Å; I220-W222 VanDerWaalsContact CG2-NE1 3.29Å
223	S	92.5	Very high	89.8	Confident	63 Å²	63	43.5 Å²	43.5	44%	0.441	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.7	170.2	67.8	0	0	0	0	109.9	Y213 S214 V225	Y213-S223 CarbonylContact C-O 3.56Å; Y213-S223 WeakPolarHBondContact CA-O 3.4Å; S214-S223 PolarHBondContact N-O 2.86Å; S214-S223 PolarHBondContact O-N 2.82Å; S214-S223 PolarHBondContact O-OG 2.92Å; S214-S223 PolarHBondContact OG-OG 3.22Å; S223-V225 PolarHBondContact O-N 2.72Å
224	I	95.6	Very high	89.6	Confident	86 Å²	86	43.6 Å²	43.6	44%	0.441	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	121.2	175.6	-63.6	158.4	0	0	0	108	P156 I211 Y213	P156-I224 HydrophobicContact CG-CD1 3.74Å; I211-I224 HydrophobicContact CG2-CG1 4.37Å; I211-I224 HydrophobicContact CG2-CG2 4.15Å; Y213-I224 HydrophobicContact CD1-CG1 3.68Å; Y213-I224 HydrophobicContact CE1-CD1 4.27Å; Y213-I224 HydrophobicContact CE1-CG1 3.42Å; Y213-I224 VanDerWaalsContact CE1-CG1 3.42Å
225	V	94.2	Very high	89.6	Confident	66 Å²	66	44 Å²	44	40%	0.4	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-43.1	174	179	0	0	0	0	109.9	F179 S212 S214 S223	F179-V225 HydrophobicContact CE1-CG2 4.28Å; S212-V225 PolarHBondContact O-N 3.45Å; S214-V225 VanDerWaalsContact CB-CG2 3.41Å; S214-V225 WeakPolarHBondContact OG-CG2 3.28Å; S223-V225 PolarHBondContact O-N 2.72Å
226	R	96.5	Very high	89.7	Confident	26 Å²	26	44.3 Å²	44.3	10%	0.098	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	145.4	-175.1	-163.6	171.2	-168.9	-176.5	3.1	111.8	S212 Q228 D261 S262 C263 H478 E479	S212-R226 PolarHBondContact N-O 3.31Å; S212-R226 PolarHBondContact O-N 2.96Å; R226-Q228 HydrophobicContact CG-CG 4.04Å; R226-Q228 VanDerWaalsContact NE-NE2 3.18Å; R226-D261 IonicContact CZ-OD1 2.85Å; R226-D261 IonicContact CZ-OD2 3.68Å; R226-D261 IonicContact NE-OD1 2.84Å; R226-D261 PolarHBondContact NE-OD1 3.49Å; R226-D261 IonicContact NE-OD2 3.73Å; R226-D261 PolarHBondContact NE-OD2 3.3Å; R226-D261 IonicContact NH2-OD1 3.11Å; R226-D261 IonicContact NH2-OD2 2.66Å; R226-D261 PolarHBondContact NH2-OD2 2.82Å; R226-S262 WeakPolarHBondContact CA-OG 3.43Å; R226-C263 HydrophobicContact CG-CB 4.2Å; R226-H478 VanDerWaalsContact CZ-O 3.28Å; R226-H478 PolarHBondContact NH1-CD2 2.86Å; R226-H478 PolarHBondContact NH1-NE2 2.89Å; R226-H478 PolarHBondContact NH1-O 2.85Å; R226-H478 PolarHBondContact NH2-O 3.34Å; R226-E479 PolarHBondContact NH2-O 3.49Å
227	H	96.7	Very high	90.1	Very high	16 Å²	16	44 Å²	44	7%	0.074	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	121.8	174.4	-177.9	-174.1	0	0	0	109.3	P156 E209 W210 K229 Y260 D261 S262	P156-H227 PolarHBondContact O-CE1 3.18Å; E209-H227 IonicContact OE2-CE1 2.73Å; E209-H227 PolarHBondContact OE2-CE1 2.7Å; E209-H227 VanDerWaalsContact OE2-CE1 3.31Å; E209-H227 IonicContact OE2-NE2 2.66Å; E209-H227 PolarHBondContact OE2-NE2 3.47Å; W210-H227 WeakPolarHBondContact O-CA 3.16Å; H227-K229 WeakPolarHBondContact CE1-CE 3.48Å; H227-K229 VanDerWaalsContact NE2-CE 3.32Å; H227-K229 WeakPolarHBondContact NE2-CE 3.21Å; H227-Y260 HydrophobicContact CB-CE1 4.14Å; H227-Y260 WeakPolarHBondContact O-CD1 3.48Å; H227-Y260 VanDerWaalsContact O-CE1 3.27Å; H227-Y260 WeakPolarHBondContact O-CE1 3.48Å; H227-D261 WeakPolarHBondContact O-CA 3.3Å; H227-S262 PolarHBondContact N-OG 2.85Å; H227-S262 PolarHBondContact O-N 3.48Å
228	Q	97.3	Very high	91.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.2	-177.8	-56.1	175.7	-57.4	0	0	109.4	E209 W210 R226 Y260 D261 H478 L481	E209-Q228 CarbonylContact C-O 3.57Å; E209-Q228 WeakPolarHBondContact CA-O 3.31Å; W210-Q228 HydrophobicContact CB-CB 4.29Å; W210-Q228 PolarHBondContact N-O 3.1Å; W210-Q228 PolarHBondContact O-N 2.67Å; R226-Q228 HydrophobicContact CG-CG 4.04Å; R226-Q228 VanDerWaalsContact NE-NE2 3.18Å; Q228-Y260 CarbonylContact C-O 3.58Å; Q228-Y260 VanDerWaalsContact CA-O 3.29Å; Q228-Y260 WeakPolarHBondContact CA-O 3.31Å; Q228-D261 HydrophobicContact CG-CB 4.42Å; Q228-D261 PolarHBondContact NE2-OD2 3.13Å; Q228-H478 PolarHBondContact NE2-O 2.58Å; Q228-H478 PolarHBondContact OE1-CE1 2.93Å; Q228-H478 PolarHBondContact OE1-ND1 2.91Å; Q228-L481 HydrophobicContact CB-CD1 3.89Å; Q228-L481 HydrophobicContact CB-CD2 4.35Å; Q228-L481 HydrophobicContact CG-CD1 3.95Å; Q228-L481 HydrophobicContact CG-CD2 4.32Å; Q228-L481 HydrophobicContact CG-CG 4.49Å; Q228-L481 VanDerWaalsContact NE2-CG 3.27Å
229	K	95.8	Very high	92.3	Very high	43 Å²	43	33.4 Å²	33.4	19%	0.187	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.4	179.6	-50	-177	-177.8	-161.5	0	111.8	L208 E209 H227 I259 Y260	L208-K229 CarbonylContact O-C 3.35Å; L208-K229 WeakPolarHBondContact O-CA 3.37Å; E209-K229 HydrophobicContact CG-CD 4.45Å; E209-K229 HydrophobicContact CG-CG 4.05Å; E209-K229 WeakPolarHBondContact OE2-CE 3.41Å; E209-K229 IonicContact OE2-NZ 2.7Å; E209-K229 PolarHBondContact OE2-NZ 3.4Å; H227-K229 WeakPolarHBondContact CE1-CE 3.48Å; H227-K229 VanDerWaalsContact NE2-CE 3.32Å; H227-K229 WeakPolarHBondContact NE2-CE 3.21Å; K229-I259 HydrophobicContact CB-CD1 4.24Å; K229-I259 HydrophobicContact CB-CG1 3.83Å; K229-I259 WeakPolarHBondContact O-CG1 3.4Å; K229-I259 PolarHBondContact O-N 2.83Å; K229-Y260 HydrophobicContact CD-CD1 4.15Å; K229-Y260 HydrophobicContact CD-CG 4.35Å; K229-Y260 HydrophobicContact CG-CD1 3.87Å; K229-Y260 HydrophobicContact CG-CG 4.31Å; K229-Y260 PolarHBondContact N-O 2.81Å; K229-Y260 PolarHBondContact O-N 3.43Å
230	F	96.9	Very high	93.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.9	172.6	-49	-100.9	0	0	0	110	Y207 L208 L248 F256 H257 A258 F476 L481	Y207-F230 CarbonylContact C-O 3.52Å; Y207-F230 VanDerWaalsContact CA-O 3.26Å; Y207-F230 WeakPolarHBondContact CA-O 3.41Å; L208-F230 HydrophobicContact CB-CB 4.26Å; L208-F230 HydrophobicContact CB-CD2 4.28Å; L208-F230 PolarHBondContact N-O 3.27Å; L208-F230 PolarHBondContact O-N 2.88Å; F230-L248 HydrophobicContact CD2-CD2 4.32Å; F230-L248 HydrophobicContact CE2-CD2 3.81Å; F230-L248 HydrophobicContact CZ-CD2 4.16Å; F230-F256 HydrophobicContact CB-CB 4.49Å; F230-F256 HydrophobicContact CB-CD1 3.83Å; F230-H257 CarbonylContact C-O 3.47Å; F230-H257 WeakPolarHBondContact CA-O 3.44Å; F230-A258 HydrophobicContact CD1-CB 3.81Å; F230-A258 HydrophobicContact CE1-CB 3.86Å; F230-F476 HydrophobicContact CD1-CD1 4.26Å; F230-F476 HydrophobicContact CD1-CE1 4.26Å; F230-F476 HydrophobicContact CD1-CG 4.44Å; F230-F476 HydrophobicContact CD1-CZ 4.46Å; F230-F476 HydrophobicContact CE1-CB 4.04Å; F230-F476 AromaticContact CE1-CD1 3.66Å; F230-F476 HydrophobicContact CE1-CD1 3.66Å; F230-F476 HydrophobicContact CE1-CD2 4.3Å; F230-F476 HydrophobicContact CE1-CE1 4.11Å; F230-F476 AromaticContact CE1-CG 3.74Å; F230-F476 HydrophobicContact CE1-CG 3.74Å; F230-F476 HydrophobicContact CZ-CB 4.3Å; F230-F476 HydrophobicContact CZ-CG 4.44Å; F230-L481 HydrophobicContact CE1-CD2 4.03Å; F230-L481 HydrophobicContact CE2-CD2 4.46Å; F230-L481 HydrophobicContact CZ-CD2 3.52Å
231	V	95.3	Very high	94.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.6	177.7	73.9	0	0	0	0	111.9	V205 T206 Y207 F256 H257 I259 Y271	V205-V231 HydrophobicContact CB-CG2 3.88Å; V205-V231 HydrophobicContact CG1-CG2 4.38Å; V205-V231 HydrophobicContact CG2-CG2 4.18Å; T206-V231 WeakPolarHBondContact O-CA 3.47Å; Y207-V231 HydrophobicContact CD1-CB 3.84Å; Y207-V231 HydrophobicContact CD1-CG2 3.76Å; Y207-V231 HydrophobicContact CE1-CB 3.75Å; Y207-V231 HydrophobicContact CE1-CG2 3.43Å; Y207-V231 VanDerWaalsContact CE1-CG2 3.43Å; V231-F256 WeakPolarHBondContact O-CA 3.37Å; V231-H257 PolarHBondContact N-O 2.7Å; V231-H257 PolarHBondContact O-N 2.86Å; V231-I259 HydrophobicContact CB-CD1 4.16Å; V231-I259 HydrophobicContact CB-CG2 4.26Å; V231-I259 HydrophobicContact CG1-CD1 4.39Å; V231-I259 HydrophobicContact CG1-CG2 3.47Å; V231-I259 VanDerWaalsContact CG1-CG2 3.47Å; V231-Y271 HydrophobicContact CG1-CE2 4.47Å
232	A	94.1	Very high	95.2	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	161	167.4	0	0	0	0	0	111.9	T206 S234 F256	T206-A232 PolarHBondContact N-O 2.89Å; T206-A232 PolarHBondContact O-N 2.92Å; A232-S234 PolarHBondContact O-N 2.99Å; A232-F256 HydrophobicContact CB-CB 4.48Å; A232-F256 HydrophobicContact CB-CD1 3.75Å; A232-F256 HydrophobicContact CB-CD2 3.56Å; A232-F256 HydrophobicContact CB-CE1 3.69Å; A232-F256 HydrophobicContact CB-CE2 3.5Å; A232-F256 VanDerWaalsContact CB-CE2 3.5Å; A232-F256 HydrophobicContact CB-CG 3.69Å; A232-F256 HydrophobicContact CB-CZ 3.56Å
233	S	92	Very high	95.1	Very high	25 Å²	25	19.5 Å²	19.5	18%	0.175	11%	0.107	C	C	.	.	S	Bend	trans	-83.6	9	171.8	50.6	0	0	0	0	113.7	Q49 K254	Q49-S233 PolarHBondContact NE2-O 3.28Å; S233-K254 WeakPolarHBondContact OG-CG 3.37Å
234	S	91.7	Very high	95	Very high	6 Å²	6	18.7 Å²	18.7	4%	0.042	10%	0.098	C	C	.	.	S	Bend	trans	-134.9	157.1	172.6	63.6	0	0	0	0	111.4	A232 K254	A232-S234 PolarHBondContact O-N 2.99Å; S234-K254 WeakPolarHBondContact OG-CA 3.38Å; S234-K254 VanDerWaalsContact OG-CB 3.31Å; S234-K254 WeakPolarHBondContact OG-CB 3.48Å; S234-K254 PolarHBondContact OG-N 2.88Å; S234-K254 PolarHBondContact OG-O 3.09Å
235	F	93.3	Very high	94.9	Very high	25 Å²	25	15 Å²	15	11%	0.11	8%	0.08	C	C	.	.			trans	-78.3	143.9	169.7	-162	-93.2	0	0	0	110.8	Q49 K52 A53 V185 V187 T206	Q49-F235 HydrophobicContact CB-CB 4.44Å; K52-F235 HydrophobicContact CB-CB 3.69Å; K52-F235 HydrophobicContact CB-CD1 3.82Å; K52-F235 HydrophobicContact CB-CG 3.85Å; K52-F235 HydrophobicContact CG-CB 4.4Å; A53-F235 HydrophobicContact CB-CD2 3.86Å; A53-F235 HydrophobicContact CB-CE2 3.41Å; A53-F235 VanDerWaalsContact CB-CE2 3.41Å; A53-F235 HydrophobicContact CB-CZ 3.88Å; V185-F235 HydrophobicContact CB-CE2 4.48Å; V185-F235 HydrophobicContact CB-CZ 4.5Å; V185-F235 HydrophobicContact CG1-CE2 4.2Å; V185-F235 HydrophobicContact CG1-CZ 3.91Å; V185-F235 HydrophobicContact CG2-CD2 4.25Å; V185-F235 HydrophobicContact CG2-CE2 3.46Å; V185-F235 VanDerWaalsContact CG2-CE2 3.46Å; V185-F235 HydrophobicContact CG2-CZ 3.78Å; V187-F235 HydrophobicContact CG2-CD2 3.96Å; V187-F235 HydrophobicContact CG2-CE2 4.24Å; T206-F235 HydrophobicContact CG2-CD2 3.75Å; T206-F235 HydrophobicContact CG2-CE2 4.21Å
236	P	96.2	Very high	94.9	Very high	6 Å²	6	13.4 Å²	13.4	4%	0.039	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	136.3	177.5	31.4	-33.3	0	0	0	111.8	V185 L208 F238 I250 C251 F256	V185-P236 HydrophobicContact CG2-CG 4.41Å; L208-P236 HydrophobicContact CD1-CG 4.28Å; L208-P236 HydrophobicContact CD2-CG 4.33Å; P236-F238 VanDerWaalsContact C-N 3.3Å; P236-I250 HydrophobicContact CB-CG2 4.04Å; P236-C251 CarbonylContact C-O 3.58Å; P236-C251 WeakPolarHBondContact CA-O 3.39Å; P236-F256 HydrophobicContact CB-CE2 4.04Å; P236-F256 HydrophobicContact CB-CZ 4.38Å; P236-F256 HydrophobicContact CG-CE2 4.39Å; P236-F256 HydrophobicContact CG-CZ 4.23Å
237	E	94.2	Very high	94.8	Very high	39 Å²	39	12.2 Å²	12.2	18%	0.182	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-29.2	168	-63.8	-59.4	150	0	0	111	K52 C251 L471 W494	K52-E237 WeakPolarHBondContact CE-OE1 3.28Å; K52-E237 IonicContact NZ-OE1 3.31Å; K52-E237 PolarHBondContact NZ-OE1 2.89Å; K52-E237 IonicContact NZ-OE2 2.82Å; E237-C251 PolarHBondContact N-O 2.88Å; E237-L471 HydrophobicContact CG-CD1 4.48Å; E237-L471 HydrophobicContact CG-CD2 3.89Å; E237-W494 HydrophobicContact CB-CD2 3.78Å; E237-W494 HydrophobicContact CB-CE3 4.06Å; E237-W494 HydrophobicContact CB-CG 4.08Å; E237-W494 HydrophobicContact CB-CZ2 4.42Å; E237-W494 HydrophobicContact CG-CD2 4.49Å; E237-W494 HydrophobicContact CG-CG 4.29Å; E237-W494 VanDerWaalsContact O-CZ2 3.3Å; E237-W494 WeakPolarHBondContact O-CZ2 3.44Å
238	F	96.9	Very high	94.9	Very high	3 Å²	3	11.4 Å²	11.4	1%	0.013	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	134.8	-179.8	-173.9	-112.6	0	0	0	110.5	P236 A240 H249 I250 C251 W494 K497 H509 F511 P524	P236-F238 VanDerWaalsContact C-N 3.3Å; F238-A240 HydrophobicContact CE1-CB 3.9Å; F238-A240 HydrophobicContact CE2-CB 3.96Å; F238-A240 HydrophobicContact CZ-CB 3.45Å; F238-A240 VanDerWaalsContact CZ-CB 3.45Å; F238-H249 HydrophobicContact CD1-CB 4.48Å; F238-H249 HydrophobicContact CE1-CB 3.95Å; F238-I250 CarbonylContact O-C 3.53Å; F238-I250 WeakPolarHBondContact O-CA 3.16Å; F238-C251 HydrophobicContact CB-CB 3.63Å; F238-C251 PolarHBondContact N-O 3Å; F238-C251 PolarHBondContact O-N 2.91Å; F238-W494 HydrophobicContact CB-CH2 3.46Å; F238-W494 VanDerWaalsContact CB-CH2 3.46Å; F238-W494 HydrophobicContact CB-CZ2 4.34Å; F238-W494 HydrophobicContact CB-CZ3 3.68Å; F238-W494 AromaticContact CD2-CH2 3.71Å; F238-W494 HydrophobicContact CD2-CH2 3.71Å; F238-W494 HydrophobicContact CD2-CZ3 4.46Å; F238-W494 AromaticContact CG-CH2 3.88Å; F238-W494 HydrophobicContact CG-CH2 3.88Å; F238-W494 HydrophobicContact CG-CZ3 4.25Å; F238-K497 HydrophobicContact CD2-CB 4.09Å; F238-K497 HydrophobicContact CE2-CB 4.36Å; F238-H509 HydrophobicContact CE2-CB 3.59Å; F238-H509 HydrophobicContact CZ-CB 3.97Å; F238-F511 HydrophobicContact CD1-CD1 4.18Å; F238-F511 HydrophobicContact CD2-CB 4.02Å; F238-F511 AromaticContact CE1-CD1 3.81Å; F238-F511 HydrophobicContact CE1-CD1 3.81Å; F238-F511 HydrophobicContact CE1-CE1 4.38Å; F238-F511 HydrophobicContact CE2-CB 4.02Å; F238-F511 HydrophobicContact CE2-CD1 4.28Å; F238-F511 HydrophobicContact CG-CB 4.43Å; F238-F511 HydrophobicContact CZ-CB 4.45Å; F238-F511 AromaticContact CZ-CD1 3.86Å; F238-F511 HydrophobicContact CZ-CD1 3.86Å; F238-P524 HydrophobicContact CE1-CG 4.26Å; F238-P524 HydrophobicContact CZ-CG 4.28Å
239	A	97.9	Very high	94.9	Very high	5 Å²	5	11.4 Å²	11.4	4%	0.041	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	136.6	153.3	0	0	0	0	0	110.1	L165 L183 L208 L248 H249 I250	L165-A239 HydrophobicContact CD2-CB 3.68Å; L183-A239 HydrophobicContact CD2-CB 3.74Å; L208-A239 HydrophobicContact CD1-CB 4.25Å; A239-L248 HydrophobicContact CB-CD1 4.44Å; A239-H249 CarbonylContact C-O 3.55Å; A239-H249 WeakPolarHBondContact CA-O 3.33Å; A239-I250 HydrophobicContact CB-CG1 4.24Å
240	A	97.5	Very high	95	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	143.3	-174.8	0	0	0	0	0	111.2	F238 H249 H509	F238-A240 HydrophobicContact CE1-CB 3.9Å; F238-A240 HydrophobicContact CE2-CB 3.96Å; F238-A240 HydrophobicContact CZ-CB 3.45Å; F238-A240 VanDerWaalsContact CZ-CB 3.45Å; A240-H249 PolarHBondContact N-O 2.93Å; A240-H249 PolarHBondContact O-N 2.84Å; A240-H509 HydrophobicContact CB-CB 3.9Å
241	F	97.4	Very high	95	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	144.4	172.5	-66.7	-53.2	0	0	0	111.7	D166 L168 D181 L183 W210 L248 A507 T508	D166-F241 HydrophobicContact CB-CD2 4.08Å; D166-F241 HydrophobicContact CB-CE2 4.29Å; D166-F241 PolarHBondContact OD2-N 2.8Å; L168-F241 HydrophobicContact CD1-CB 3.56Å; L168-F241 HydrophobicContact CD1-CD2 4.11Å; L168-F241 HydrophobicContact CD1-CG 4.17Å; L168-F241 HydrophobicContact CG-CD2 4.38Å; D181-F241 HydrophobicContact CB-CE2 4.16Å; D181-F241 HydrophobicContact CB-CZ 4.28Å; L183-F241 HydrophobicContact CB-CE1 4.33Å; L183-F241 HydrophobicContact CB-CE2 3.79Å; L183-F241 HydrophobicContact CB-CZ 3.57Å; W210-F241 AromaticContact CD1-CE1 3.91Å; W210-F241 AromaticContact CD1-CZ 3.8Å; W210-F241 HydrophobicContact CD2-CD1 4.39Å; W210-F241 AromaticContact CD2-CE1 3.46Å; W210-F241 HydrophobicContact CD2-CE1 3.46Å; W210-F241 VanDerWaalsContact CD2-CE1 3.46Å; W210-F241 HydrophobicContact CD2-CZ 4.14Å; W210-F241 AromaticContact CE2-CE1 3.37Å; W210-F241 AromaticContact CE2-CZ 3.99Å; W210-F241 AromaticContact CE3-CE1 3.9Å; W210-F241 HydrophobicContact CE3-CE1 3.9Å; W210-F241 AromaticContact CG-CE1 3.79Å; W210-F241 HydrophobicContact CG-CE1 3.79Å; W210-F241 HydrophobicContact CG-CZ 4Å; W210-F241 HydrophobicContact CH2-CD1 4.06Å; W210-F241 HydrophobicContact CH2-CE1 4.06Å; W210-F241 AromaticContact CZ2-CD1 3.92Å; W210-F241 HydrophobicContact CZ2-CD1 3.92Å; W210-F241 AromaticContact CZ2-CE1 3.69Å; W210-F241 HydrophobicContact CZ2-CE1 3.69Å; W210-F241 HydrophobicContact CZ3-CD1 4.41Å; W210-F241 HydrophobicContact CZ3-CE1 4.19Å; W210-F241 AromaticContact NE1-CE1 3.73Å; W210-F241 AromaticContact NE1-CZ 3.85Å; F241-L248 HydrophobicContact CD1-CD1 4.03Å; F241-L248 HydrophobicContact CE1-CD1 4.16Å; F241-A507 VanDerWaalsContact O-CA 3.29Å; F241-A507 WeakPolarHBondContact O-CA 3.2Å; F241-A507 VanDerWaalsContact O-CB 3.25Å; F241-A507 WeakPolarHBondContact O-CB 3.02Å; F241-T508 HydrophobicContact CB-CG2 4.28Å; F241-T508 PolarHBondContact O-N 2.84Å
242	E	94.6	Very high	95	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.054	C	C	.	.			trans	-59.6	151	152.9	-74.7	-172.4	-171.7	0	0	109.5	L168 D244 C245 S246 A247 H249 R475 C526	L168-E242 WeakPolarHBondContact CD1-O 3.26Å; E242-D244 PolarHBondContact O-N 2.69Å; E242-D244 VanDerWaalsContact O-N 3.11Å; E242-C245 PolarHBondContact O-N 3.11Å; E242-S246 PolarHBondContact OE2-OG 2.75Å; E242-A247 HydrophobicContact CG-CB 4.04Å; E242-A247 PolarHBondContact N-O 2.89Å; E242-H249 VanDerWaalsContact CG-NE2 3.27Å; E242-H249 WeakPolarHBondContact CG-NE2 3.49Å; E242-H249 IonicContact OE1-CE1 2.93Å; E242-H249 IonicContact OE1-NE2 3.22Å; E242-H249 PolarHBondContact OE1-NE2 2.88Å; E242-H249 VanDerWaalsContact OE1-NE2 3.11Å; E242-R475 IonicContact OE1-CZ 3.9Å; E242-R475 VanDerWaalsContact OE1-CZ 3.22Å; E242-R475 IonicContact OE1-NE 3.32Å; E242-R475 PolarHBondContact OE1-NE 3.18Å; E242-R475 IonicContact OE1-NH2 3.51Å; E242-R475 PolarHBondContact OE1-NH2 2.57Å; E242-R475 IonicContact OE2-NH2 3.33Å; E242-R475 PolarHBondContact OE2-NH2 3.21Å; E242-C526 WeakPolarHBondContact OE2-CA 3.28Å
243	G	90.9	Very high	94.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.2	-173.8	0	0	0	0	0	116.8	W503 K504 N506	G243-W503 CarbonylContact C-O 3.51Å; G243-W503 VanDerWaalsContact C-O 3.29Å; G243-W503 WeakPolarHBondContact CA-O 3.48Å; G243-K504 WeakPolarHBondContact O-CE 3.37Å; G243-K504 WeakPolarHBondContact O-CG 3.37Å; G243-N506 WeakPolarHBondContact CA-O 3.42Å; G243-N506 PolarHBondContact N-O 3.03Å; G243-N506 VanDerWaalsContact N-O 3.13Å
244	D	90.3	Very high	94.7	Very high	45 Å²	45	13.1 Å²	13.1	24%	0.241	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	9.9	176.5	62.7	-0.2	0	0	0	113.9	E242 S246 C526	E242-D244 PolarHBondContact O-N 2.69Å; E242-D244 VanDerWaalsContact O-N 3.11Å; D244-S246 PolarHBondContact O-N 3.04Å; D244-S246 VanDerWaalsContact O-N 3.08Å; D244-S246 VanDerWaalsContact OD1-CB 3.25Å; D244-S246 WeakPolarHBondContact OD1-CB 3.37Å; D244-S246 PolarHBondContact OD1-N 2.92Å; D244-S246 VanDerWaalsContact OD1-N 3.07Å; D244-S246 PolarHBondContact OD1-OG 3.48Å; D244-S246 PolarHBondContact OD2-OG 2.98Å; D244-C526 VanDerWaalsContact CG-SG 3.53Å; D244-C526 PolarHBondContact OD1-SG 2.85Å
245	C	93.1	Very high	94.8	Very high	9 Å²	9	16.4 Å²	16.4	6%	0.061	8%	0.081	C	C	.	.	S	Bend	trans	57	17.9	-176.3	-59.1	0	0	0	0	113.2	L168 D181 W210 E242 A247 H478	L168-C245 WeakPolarHBondContact CD1-SG 3.46Å; D181-C245 VanDerWaalsContact CG-SG 3.6Å; D181-C245 PolarHBondContact OD2-SG 3.36Å; W210-C245 WeakPolarHBondContact CH2-O 3.4Å; W210-C245 HydrophobicContact CZ2-CB 4.08Å; W210-C245 WeakPolarHBondContact CZ2-O 3.3Å; E242-C245 PolarHBondContact O-N 3.11Å; C245-A247 VanDerWaalsContact C-N 3.28Å; C245-A247 PolarHBondContact O-N 3.35Å; C245-H478 WeakPolarHBondContact O-CB 3.35Å
246	S	93.2	Very high	94.8	Very high	33 Å²	33	15.2 Å²	15.2	23%	0.231	8%	0.076	C	C	.	.	S	Bend	trans	-77.5	-16.8	-179.2	68.4	0	0	0	0	113	E242 D244 H478	E242-S246 PolarHBondContact OE2-OG 2.75Å; D244-S246 PolarHBondContact O-N 3.04Å; D244-S246 VanDerWaalsContact O-N 3.08Å; D244-S246 VanDerWaalsContact OD1-CB 3.25Å; D244-S246 WeakPolarHBondContact OD1-CB 3.37Å; D244-S246 PolarHBondContact OD1-N 2.92Å; D244-S246 VanDerWaalsContact OD1-N 3.07Å; D244-S246 PolarHBondContact OD1-OG 3.48Å; D244-S246 PolarHBondContact OD2-OG 2.98Å; S246-H478 WeakPolarHBondContact O-CB 3.38Å; S246-H478 PolarHBondContact O-N 3.02Å
247	A	95.6	Very high	94.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	164.3	173.7	0	0	0	0	0	113	E242 C245 R475 F476	E242-A247 HydrophobicContact CG-CB 4.04Å; E242-A247 PolarHBondContact N-O 2.89Å; C245-A247 VanDerWaalsContact C-N 3.28Å; C245-A247 PolarHBondContact O-N 3.35Å; A247-R475 HydrophobicContact CB-CG 4Å; A247-F476 CarbonylContact C-O 3.55Å; A247-F476 WeakPolarHBondContact CA-O 3.49Å; A247-F476 WeakPolarHBondContact CB-O 3.43Å
248	L	97.7	Very high	94.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.6	173.7	175.6	64.6	0	0	0	109.5	L183 W210 F230 A239 F241 I250 F476	L183-L248 HydrophobicContact CD1-CD1 4.25Å; L183-L248 HydrophobicContact CD1-CD2 3.93Å; L183-L248 HydrophobicContact CD2-CD1 3.63Å; W210-L248 HydrophobicContact CE3-CB 4.01Å; W210-L248 HydrophobicContact CE3-CD2 4.35Å; W210-L248 HydrophobicContact CZ3-CB 3.64Å; F230-L248 HydrophobicContact CD2-CD2 4.32Å; F230-L248 HydrophobicContact CE2-CD2 3.81Å; F230-L248 HydrophobicContact CZ-CD2 4.16Å; A239-L248 HydrophobicContact CB-CD1 4.44Å; F241-L248 HydrophobicContact CD1-CD1 4.03Å; F241-L248 HydrophobicContact CE1-CD1 4.16Å; L248-I250 HydrophobicContact CD2-CD1 3.89Å; L248-I250 HydrophobicContact CD2-CG1 4.1Å; L248-I250 HydrophobicContact CG-CD1 4.24Å; L248-I250 HydrophobicContact CG-CG1 3.93Å; L248-F476 PolarHBondContact N-O 3.49Å; L248-F476 PolarHBondContact O-N 3.21Å
249	H	97.5	Very high	94.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	138.1	171.1	-62.9	-89.9	0	0	0	110	F238 A239 A240 E242 Q474 P524 W538	F238-H249 HydrophobicContact CD1-CB 4.48Å; F238-H249 HydrophobicContact CE1-CB 3.95Å; A239-H249 CarbonylContact C-O 3.55Å; A239-H249 WeakPolarHBondContact CA-O 3.33Å; A240-H249 PolarHBondContact N-O 2.93Å; A240-H249 PolarHBondContact O-N 2.84Å; E242-H249 VanDerWaalsContact CG-NE2 3.27Å; E242-H249 WeakPolarHBondContact CG-NE2 3.49Å; E242-H249 IonicContact OE1-CE1 2.93Å; E242-H249 IonicContact OE1-NE2 3.22Å; E242-H249 PolarHBondContact OE1-NE2 2.88Å; E242-H249 VanDerWaalsContact OE1-NE2 3.11Å; H249-Q474 CarbonylContact C-O 3.57Å; H249-Q474 VanDerWaalsContact CA-O 3.3Å; H249-Q474 WeakPolarHBondContact CA-O 3.28Å; H249-P524 WeakPolarHBondContact NE2-CB 3.21Å; H249-W538 AromaticContact CE1-NE1 3.67Å; H249-W538 AromaticContact ND1-CE2 3.75Å; H249-W538 AromaticContact ND1-CZ2 3.87Å; H249-W538 AromaticContact ND1-NE1 3.18Å; H249-W538 PolarHBondContact ND1-NE1 3.15Å; H249-W538 VanDerWaalsContact ND1-NE1 3.18Å
250	I	98.1	Very high	94.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.1	179.3	-52.5	173.4	0	0	0	108.8	L208 P236 F238 A239 L248 F256 L473 Q474 F476	L208-I250 HydrophobicContact CD1-CD1 3.66Å; L208-I250 HydrophobicContact CD1-CG1 4.08Å; L208-I250 HydrophobicContact CD1-CG2 4.1Å; P236-I250 HydrophobicContact CB-CG2 4.04Å; F238-I250 CarbonylContact O-C 3.53Å; F238-I250 WeakPolarHBondContact O-CA 3.16Å; A239-I250 HydrophobicContact CB-CG1 4.24Å; L248-I250 HydrophobicContact CD2-CD1 3.89Å; L248-I250 HydrophobicContact CD2-CG1 4.1Å; L248-I250 HydrophobicContact CG-CD1 4.24Å; L248-I250 HydrophobicContact CG-CG1 3.93Å; I250-F256 HydrophobicContact CD1-CB 4.13Å; I250-F256 HydrophobicContact CD1-CG 4.25Å; I250-F256 HydrophobicContact CG2-CD2 3.61Å; I250-F256 HydrophobicContact CG2-CE2 4Å; I250-F256 HydrophobicContact CG2-CG 4.19Å; I250-L473 CarbonylContact O-C 3.53Å; I250-L473 WeakPolarHBondContact O-CA 3.41Å; I250-Q474 PolarHBondContact N-O 2.86Å; I250-Q474 PolarHBondContact O-N 2.75Å; I250-F476 HydrophobicContact CD1-CD2 3.83Å; I250-F476 HydrophobicContact CD1-CE2 3.83Å; I250-F476 HydrophobicContact CG1-CD2 4.38Å
251	C	97.1	Very high	94.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.2	169.7	-166.7	0	0	0	0	109.9	P236 E237 F238 L472 L473 L489	P236-C251 CarbonylContact C-O 3.58Å; P236-C251 WeakPolarHBondContact CA-O 3.39Å; E237-C251 PolarHBondContact N-O 2.88Å; F238-C251 HydrophobicContact CB-CB 3.63Å; F238-C251 PolarHBondContact N-O 3Å; F238-C251 PolarHBondContact O-N 2.91Å; C251-L472 WeakPolarHBondContact CA-O 3.34Å; C251-L473 HydrophobicContact CB-CD1 3.89Å; C251-L489 VanDerWaalsContact SG-CD1 3.56Å
252	S	95.1	Very high	94.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	157.2	-175.6	57.1	0	0	0	0	112.7	K254 F256 L472	S252-K254 WeakPolarHBondContact CB-O 3.36Å; S252-K254 PolarHBondContact OG-O 3.14Å; S252-F256 WeakPolarHBondContact OG-CD2 3.35Å; S252-L472 PolarHBondContact N-O 3.49Å; S252-L472 PolarHBondContact O-N 2.87Å
253	E	90.6	Very high	94	Very high	37 Å²	37	27 Å²	27	17%	0.173	14%	0.143	C	C	.	.	S	Bend	trans	-64.4	-43.6	176.4	-66.1	177.4	-179.2	0	0	112.1	K48 T469 L471	K48-E253 WeakPolarHBondContact CE-OE1 3.42Å; K48-E253 IonicContact NZ-OE1 3.3Å; K48-E253 PolarHBondContact NZ-OE1 3.28Å; K48-E253 IonicContact NZ-OE2 3.38Å; K48-E253 PolarHBondContact NZ-OE2 3.28Å; E253-T469 PolarHBondContact O-OG1 2.85Å; E253-L471 HydrophobicContact CG-CD2 3.86Å
254	K	90.9	Very high	94	Very high	67 Å²	67	29 Å²	29	29%	0.291	15%	0.154	S	C	.	.	S	Bend	trans	-107	142.9	176.6	-52.6	-65.6	-177.9	-166.5	0	109.2	S233 S234 S252 F256 T469	S233-K254 WeakPolarHBondContact OG-CG 3.37Å; S234-K254 WeakPolarHBondContact OG-CA 3.38Å; S234-K254 VanDerWaalsContact OG-CB 3.31Å; S234-K254 WeakPolarHBondContact OG-CB 3.48Å; S234-K254 PolarHBondContact OG-N 2.88Å; S234-K254 PolarHBondContact OG-O 3.09Å; S252-K254 WeakPolarHBondContact CB-O 3.36Å; S252-K254 PolarHBondContact OG-O 3.14Å; K254-F256 PolarHBondContact O-N 2.88Å; K254-T469 PolarHBondContact NZ-OG1 2.82Å
255	K	91.9	Very high	93.9	Very high	75 Å²	75	31.6 Å²	31.6	33%	0.326	17%	0.173	S	C	.	.			trans	-64.2	130.6	-177.4	177.5	-176.5	162.2	-165.1	0	111.3	H257 L472 R483	K255-H257 WeakPolarHBondContact CD-NE2 3.3Å; K255-H257 WeakPolarHBondContact CE-NE2 3.43Å; K255-H257 PolarHBondContact NZ-NE2 2.84Å; K255-H257 PolarHBondContact O-CE1 2.8Å; K255-H257 VanDerWaalsContact O-CE1 3.25Å; K255-H257 PolarHBondContact O-ND1 3.48Å; K255-L472 HydrophobicContact CB-CD2 3.86Å; K255-L472 HydrophobicContact CG-CD2 4.02Å; K255-R483 VanDerWaalsContact CD-NH1 3.31Å
256	F	95.2	Very high	93.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.			trans	-77.2	142.9	167.9	-85.7	-95	0	0	0	111.7	T206 L208 F230 V231 A232 P236 I250 S252 K254 Q474 F476	T206-F256 HydrophobicContact CG2-CZ 4.19Å; L208-F256 HydrophobicContact CB-CE1 4.33Å; L208-F256 HydrophobicContact CD1-CD1 3.96Å; L208-F256 HydrophobicContact CD1-CE1 3.69Å; L208-F256 HydrophobicContact CD1-CE2 4.41Å; L208-F256 HydrophobicContact CD1-CG 4.44Å; L208-F256 HydrophobicContact CD1-CZ 3.94Å; L208-F256 HydrophobicContact CG-CD1 4.4Å; L208-F256 HydrophobicContact CG-CE1 3.81Å; L208-F256 HydrophobicContact CG-CZ 4.23Å; F230-F256 HydrophobicContact CB-CB 4.49Å; F230-F256 HydrophobicContact CB-CD1 3.83Å; V231-F256 WeakPolarHBondContact O-CA 3.37Å; A232-F256 HydrophobicContact CB-CB 4.48Å; A232-F256 HydrophobicContact CB-CD1 3.75Å; A232-F256 HydrophobicContact CB-CD2 3.56Å; A232-F256 HydrophobicContact CB-CE1 3.69Å; A232-F256 HydrophobicContact CB-CE2 3.5Å; A232-F256 VanDerWaalsContact CB-CE2 3.5Å; A232-F256 HydrophobicContact CB-CG 3.69Å; A232-F256 HydrophobicContact CB-CZ 3.56Å; P236-F256 HydrophobicContact CB-CE2 4.04Å; P236-F256 HydrophobicContact CB-CZ 4.38Å; P236-F256 HydrophobicContact CG-CE2 4.39Å; P236-F256 HydrophobicContact CG-CZ 4.23Å; I250-F256 HydrophobicContact CD1-CB 4.13Å; I250-F256 HydrophobicContact CD1-CG 4.25Å; I250-F256 HydrophobicContact CG2-CD2 3.61Å; I250-F256 HydrophobicContact CG2-CE2 4Å; I250-F256 HydrophobicContact CG2-CG 4.19Å; S252-F256 WeakPolarHBondContact OG-CD2 3.35Å; K254-F256 PolarHBondContact O-N 2.88Å; F256-Q474 PolarHBondContact O-NE2 2.84Å; F256-F476 HydrophobicContact CB-CE2 4.42Å; F256-F476 HydrophobicContact CB-CZ 4.43Å; F256-F476 WeakPolarHBondContact O-CZ 3.41Å
257	H	94	Very high	93.5	Very high	28 Å²	28	32 Å²	32	13%	0.13	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.5	177.8	-61.5	83.3	0	0	0	109.4	I196 F230 V231 K255 Y271	I196-H257 HydrophobicContact CD1-CB 4.49Å; F230-H257 CarbonylContact C-O 3.47Å; F230-H257 WeakPolarHBondContact CA-O 3.44Å; V231-H257 PolarHBondContact N-O 2.7Å; V231-H257 PolarHBondContact O-N 2.86Å; K255-H257 WeakPolarHBondContact CD-NE2 3.3Å; K255-H257 WeakPolarHBondContact CE-NE2 3.43Å; K255-H257 PolarHBondContact NZ-NE2 2.84Å; K255-H257 PolarHBondContact O-CE1 2.8Å; K255-H257 VanDerWaalsContact O-CE1 3.25Å; K255-H257 PolarHBondContact O-ND1 3.48Å; H257-Y271 HydrophobicContact CB-CD2 4.36Å; H257-Y271 HydrophobicContact CB-CE2 4.41Å
258	A	95	Very high	93.1	Very high	17 Å²	17	37 Å²	37	14%	0.14	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	130	168.9	0	0	0	0	0	109.2	F230 V267 L481	F230-A258 HydrophobicContact CD1-CB 3.81Å; F230-A258 HydrophobicContact CE1-CB 3.86Å; A258-V267 HydrophobicContact CB-CG1 3.88Å; A258-L481 HydrophobicContact CB-CB 3.95Å; A258-L481 HydrophobicContact CB-CD1 4.12Å
259	I	93	Very high	92.5	Very high	22 Å²	22	42.6 Å²	42.6	11%	0.113	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-20.4	-175.7	62.9	171	0	0	0	113	Y207 K229 V231 Y268 Y271	Y207-I259 HydrophobicContact CD1-CD1 4.04Å; Y207-I259 HydrophobicContact CE1-CD1 3.64Å; K229-I259 HydrophobicContact CB-CD1 4.24Å; K229-I259 HydrophobicContact CB-CG1 3.83Å; K229-I259 WeakPolarHBondContact O-CG1 3.4Å; K229-I259 PolarHBondContact O-N 2.83Å; V231-I259 HydrophobicContact CB-CD1 4.16Å; V231-I259 HydrophobicContact CB-CG2 4.26Å; V231-I259 HydrophobicContact CG1-CD1 4.39Å; V231-I259 HydrophobicContact CG1-CG2 3.47Å; V231-I259 VanDerWaalsContact CG1-CG2 3.47Å; I259-Y268 WeakPolarHBondContact O-CD2 3.22Å; I259-Y271 HydrophobicContact CB-CD2 4.46Å; I259-Y271 HydrophobicContact CB-CG 4.4Å; I259-Y271 HydrophobicContact CG2-CD1 4.25Å; I259-Y271 HydrophobicContact CG2-CD2 3.54Å; I259-Y271 HydrophobicContact CG2-CE1 4.2Å; I259-Y271 HydrophobicContact CG2-CE2 3.44Å; I259-Y271 VanDerWaalsContact CG2-CE2 3.44Å; I259-Y271 HydrophobicContact CG2-CG 3.94Å
260	Y	93.2	Very high	91.9	Very high	99 Å²	99	46.1 Å²	46.1	39%	0.388	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	142.2	-175.1	176.3	-95.5	0	0	0	110.8	H227 Q228 K229	H227-Y260 HydrophobicContact CB-CE1 4.14Å; H227-Y260 WeakPolarHBondContact O-CD1 3.48Å; H227-Y260 VanDerWaalsContact O-CE1 3.27Å; H227-Y260 WeakPolarHBondContact O-CE1 3.48Å; Q228-Y260 CarbonylContact C-O 3.58Å; Q228-Y260 VanDerWaalsContact CA-O 3.29Å; Q228-Y260 WeakPolarHBondContact CA-O 3.31Å; K229-Y260 HydrophobicContact CD-CD1 4.15Å; K229-Y260 HydrophobicContact CD-CG 4.35Å; K229-Y260 HydrophobicContact CG-CD1 3.87Å; K229-Y260 HydrophobicContact CG-CG 4.31Å; K229-Y260 PolarHBondContact N-O 2.81Å; K229-Y260 PolarHBondContact O-N 3.43Å
261	D	94.6	Very high	91.2	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.032	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	118.1	169.9	-170.4	-28.1	0	0	0	109	R226 H227 Q228 C263 N264 V267 L481	R226-D261 IonicContact CZ-OD1 2.85Å; R226-D261 IonicContact CZ-OD2 3.68Å; R226-D261 IonicContact NE-OD1 2.84Å; R226-D261 PolarHBondContact NE-OD1 3.49Å; R226-D261 IonicContact NE-OD2 3.73Å; R226-D261 PolarHBondContact NE-OD2 3.3Å; R226-D261 IonicContact NH2-OD1 3.11Å; R226-D261 IonicContact NH2-OD2 2.66Å; R226-D261 PolarHBondContact NH2-OD2 2.82Å; H227-D261 WeakPolarHBondContact O-CA 3.3Å; Q228-D261 HydrophobicContact CG-CB 4.42Å; Q228-D261 PolarHBondContact NE2-OD2 3.13Å; D261-C263 PolarHBondContact O-N 2.88Å; D261-C263 PolarHBondContact OD1-N 2.87Å; D261-N264 HydrophobicContact CB-CB 4.06Å; D261-N264 CarbonylContact O-C 3.47Å; D261-N264 PolarHBondContact O-N 3.11Å; D261-N264 PolarHBondContact OD1-N 3.34Å; D261-V267 HydrophobicContact CB-CB 4.14Å; D261-V267 HydrophobicContact CB-CG2 3.81Å; D261-L481 HydrophobicContact CB-CD1 3.78Å; D261-L481 WeakPolarHBondContact OD2-CD1 3.32Å
262	S	94.6	Very high	90.6	Very high	52 Å²	52	48.9 Å²	48.9	36%	0.364	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.3	179.9	64.6	0	0	0	0	113.5	R226 H227	R226-S262 WeakPolarHBondContact CA-OG 3.43Å; H227-S262 PolarHBondContact N-OG 2.85Å; H227-S262 PolarHBondContact O-N 3.48Å
263	C	92.8	Very high	89.9	Confident	76 Å²	76	53.1 Å²	53.1	51%	0.514	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-9.2	-180	-64.8	0	0	0	0	113.1	R226 D261	R226-C263 HydrophobicContact CG-CB 4.2Å; D261-C263 PolarHBondContact O-N 2.88Å; D261-C263 PolarHBondContact OD1-N 2.87Å
264	N	91	Very high	89.2	Confident	43 Å²	43	56.8 Å²	56.8	23%	0.23	29%	0.292	C	S	.	.			trans	-139.8	87.3	-179	-173.9	2.2	0	0	0	112.1	D261 S266 V267	D261-N264 HydrophobicContact CB-CB 4.06Å; D261-N264 CarbonylContact O-C 3.47Å; D261-N264 PolarHBondContact O-N 3.11Å; D261-N264 PolarHBondContact OD1-N 3.34Å; N264-S266 PolarHBondContact O-N 3.24Å; N264-S266 VanDerWaalsContact O-N 3.09Å; N264-S266 WeakPolarHBondContact OD1-CB 3.48Å; N264-S266 PolarHBondContact OD1-N 3.39Å; N264-S266 PolarHBondContact OD1-OG 3.3Å; N264-V267 HydrophobicContact CB-CG2 4.11Å; N264-V267 WeakPolarHBondContact O-CB 3.48Å; N264-V267 WeakPolarHBondContact O-CG2 3.43Å; N264-V267 PolarHBondContact O-N 3.05Å; N264-V267 VanDerWaalsContact O-N 3.13Å
265	P	87.5	Confident	88.1	Confident	99 Å²	99	55.1 Å²	55.1	64%	0.643	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.9	-179.5	-26.2	35.1	0	0	0	114.6	V267 Y268	P265-V267 PolarHBondContact O-N 3.15Å; P265-V267 VanDerWaalsContact O-N 3.11Å; P265-Y268 PolarHBondContact O-N 2.96Å
266	S	89.2	Confident	86.8	Confident	40 Å²	40	54.2 Å²	54.2	28%	0.28	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-18.1	-179.8	75.1	0	0	0	0	113.4	N264 Y268 E269 N270	N264-S266 PolarHBondContact O-N 3.24Å; N264-S266 VanDerWaalsContact O-N 3.09Å; N264-S266 WeakPolarHBondContact OD1-CB 3.48Å; N264-S266 PolarHBondContact OD1-N 3.39Å; N264-S266 PolarHBondContact OD1-OG 3.3Å; S266-Y268 VanDerWaalsContact C-N 3.33Å; S266-Y268 PolarHBondContact O-N 3.46Å; S266-E269 PolarHBondContact O-N 3.25Å; S266-N270 VanDerWaalsContact O-CB 3.32Å; S266-N270 WeakPolarHBondContact O-CB 3.28Å; S266-N270 PolarHBondContact O-N 2.94Å; S266-N270 PolarHBondContact O-ND2 2.83Å
267	V	88.9	Confident	85.2	Confident	10 Å²	10	60.2 Å²	60.2	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-44.3	177.4	173	0	0	0	0	110.9	A258 D261 N264 P265 N270 Y271 L481	A258-V267 HydrophobicContact CB-CG1 3.88Å; D261-V267 HydrophobicContact CB-CB 4.14Å; D261-V267 HydrophobicContact CB-CG2 3.81Å; N264-V267 HydrophobicContact CB-CG2 4.11Å; N264-V267 WeakPolarHBondContact O-CB 3.48Å; N264-V267 WeakPolarHBondContact O-CG2 3.43Å; N264-V267 PolarHBondContact O-N 3.05Å; N264-V267 VanDerWaalsContact O-N 3.13Å; P265-V267 PolarHBondContact O-N 3.15Å; P265-V267 VanDerWaalsContact O-N 3.11Å; V267-N270 PolarHBondContact O-N 2.84Å; V267-Y271 WeakPolarHBondContact O-CB 3.4Å; V267-Y271 PolarHBondContact O-N 2.89Å; V267-L481 HydrophobicContact CG1-CD1 4.19Å; V267-L481 HydrophobicContact CG2-CB 4.32Å; V267-L481 HydrophobicContact CG2-CD1 4.19Å
268	Y	86.4	Confident	83.3	Confident	106 Å²	106	61.8 Å²	61.8	42%	0.416	33%	0.329	S	S	.	.	H	α-helix	trans	-68.6	-41.9	178.9	-177.5	-111.4	0	0	0	111.7	I259 P265 S266 N270 Y271 L272	I259-Y268 WeakPolarHBondContact O-CD2 3.22Å; P265-Y268 PolarHBondContact O-N 2.96Å; S266-Y268 VanDerWaalsContact C-N 3.33Å; S266-Y268 PolarHBondContact O-N 3.46Å; Y268-N270 PolarHBondContact O-N 2.84Å; Y268-Y271 HydrophobicContact CD2-CD1 4.33Å; Y268-Y271 HydrophobicContact CE2-CD1 4.35Å; Y268-Y271 WeakPolarHBondContact O-CB 3.37Å; Y268-Y271 PolarHBondContact O-N 2.81Å; Y268-Y271 VanDerWaalsContact O-N 3.15Å; Y268-L272 HydrophobicContact CD1-CD1 3.97Å; Y268-L272 HydrophobicContact CD1-CG 4.39Å; Y268-L272 HydrophobicContact CE1-CD1 3.46Å; Y268-L272 VanDerWaalsContact CE1-CD1 3.46Å; Y268-L272 HydrophobicContact CE1-CD2 4.5Å; Y268-L272 HydrophobicContact CE1-CG 4.03Å; Y268-L272 HydrophobicContact CE2-CD2 4.42Å; Y268-L272 HydrophobicContact CE2-CG 4.4Å; Y268-L272 WeakPolarHBondContact O-CG 3.36Å; Y268-L272 PolarHBondContact O-N 2.81Å
269	E	85.2	Confident	81.1	Confident	118 Å²	118	65.5 Å²	65.5	55%	0.551	34%	0.342	S	S	*	.	H	α-helix	trans	-60.6	-44.1	174.9	-64	177.3	168.3	0	0	111.7	S266 Y271 L272 N273	S266-E269 PolarHBondContact O-N 3.25Å; E269-Y271 VanDerWaalsContact C-N 3.28Å; E269-Y271 PolarHBondContact O-N 3.28Å; E269-L272 PolarHBondContact O-N 2.68Å; E269-N273 WeakPolarHBondContact O-CB 3.36Å; E269-N273 VanDerWaalsContact O-CG 3.23Å; E269-N273 PolarHBondContact O-N 2.83Å; E269-N273 PolarHBondContact O-ND2 3.44Å
270	N	85.9	Confident	78.4	Confident	74 Å²	74	69.4 Å²	69.4	40%	0.396	36%	0.36	S	S	.	.	H	α-helix	trans	-64.7	-32.1	175.8	-74.6	-48.1	0	0	0	112.7	S266 V267 Y268 K274	S266-N270 VanDerWaalsContact O-CB 3.32Å; S266-N270 WeakPolarHBondContact O-CB 3.28Å; S266-N270 PolarHBondContact O-N 2.94Å; S266-N270 PolarHBondContact O-ND2 2.83Å; V267-N270 PolarHBondContact O-N 2.84Å; Y268-N270 PolarHBondContact O-N 2.84Å; N270-K274 VanDerWaalsContact O-CG 3.32Å; N270-K274 WeakPolarHBondContact O-CG 3.23Å; N270-K274 PolarHBondContact O-N 3.46Å
271	Y	84.2	Confident	75.9	Confident	7 Å²	7	72.9 Å²	72.9	3%	0.027	38%	0.382	C	S	.	.	H	α-helix	trans	-67.6	-47.4	173	169.1	-102.9	0	0	0	111.2	E193 L195 I196 V231 H257 I259 V267 Y268 E269 K274 Y275	E193-Y271 PolarHBondContact O-OH 3.46Å; L195-Y271 PolarHBondContact N-OH 2.99Å; I196-Y271 HydrophobicContact CB-CE2 3.95Å; I196-Y271 HydrophobicContact CD1-CD2 3.4Å; I196-Y271 HydrophobicContact CD1-CE2 3.24Å; I196-Y271 HydrophobicContact CD1-CG 4.46Å; I196-Y271 HydrophobicContact CG1-CD2 4.08Å; I196-Y271 HydrophobicContact CG1-CE2 3.44Å; I196-Y271 VanDerWaalsContact CG1-CE2 3.44Å; I196-Y271 PolarHBondContact N-OH 3.42Å; V231-Y271 HydrophobicContact CG1-CE2 4.47Å; H257-Y271 HydrophobicContact CB-CD2 4.36Å; H257-Y271 HydrophobicContact CB-CE2 4.41Å; I259-Y271 HydrophobicContact CB-CD2 4.46Å; I259-Y271 HydrophobicContact CB-CG 4.4Å; I259-Y271 HydrophobicContact CG2-CD1 4.25Å; I259-Y271 HydrophobicContact CG2-CD2 3.54Å; I259-Y271 HydrophobicContact CG2-CE1 4.2Å; I259-Y271 HydrophobicContact CG2-CE2 3.44Å; I259-Y271 VanDerWaalsContact CG2-CE2 3.44Å; I259-Y271 HydrophobicContact CG2-CG 3.94Å; V267-Y271 WeakPolarHBondContact O-CB 3.4Å; V267-Y271 PolarHBondContact O-N 2.89Å; Y268-Y271 HydrophobicContact CD2-CD1 4.33Å; Y268-Y271 HydrophobicContact CE2-CD1 4.35Å; Y268-Y271 WeakPolarHBondContact O-CB 3.37Å; Y268-Y271 PolarHBondContact O-N 2.81Å; Y268-Y271 VanDerWaalsContact O-N 3.15Å; E269-Y271 VanDerWaalsContact C-N 3.28Å; E269-Y271 PolarHBondContact O-N 3.28Å; Y271-K274 PolarHBondContact O-N 2.81Å; Y271-Y275 PolarHBondContact O-N 2.84Å
272	L	83	Confident	73.2	Confident	51 Å²	51	78.8 Å²	78.8	27%	0.267	41%	0.414	S	S	.	.	H	α-helix	trans	-61.9	-43	175.7	-69.4	-179.3	0	0	0	112.3	L195 Y268 E269 K274 Y275 S276	L195-L272 HydrophobicContact CD1-CD2 3.56Å; Y268-L272 HydrophobicContact CD1-CD1 3.97Å; Y268-L272 HydrophobicContact CD1-CG 4.39Å; Y268-L272 HydrophobicContact CE1-CD1 3.46Å; Y268-L272 VanDerWaalsContact CE1-CD1 3.46Å; Y268-L272 HydrophobicContact CE1-CD2 4.5Å; Y268-L272 HydrophobicContact CE1-CG 4.03Å; Y268-L272 HydrophobicContact CE2-CD2 4.42Å; Y268-L272 HydrophobicContact CE2-CG 4.4Å; Y268-L272 WeakPolarHBondContact O-CG 3.36Å; Y268-L272 PolarHBondContact O-N 2.81Å; E269-L272 PolarHBondContact O-N 2.68Å; L272-K274 PolarHBondContact O-N 3.26Å; L272-Y275 WeakPolarHBondContact O-CB 3.39Å; L272-Y275 PolarHBondContact O-N 3.27Å; L272-Y275 VanDerWaalsContact O-N 3.12Å; L272-S276 PolarHBondContact O-N 2.75Å; L272-S276 PolarHBondContact O-OG 2.88Å
273	N	82	Confident	70.2	Confident	88 Å²	88	81 Å²	81	47%	0.471	43%	0.425	S	S	.	.	H	α-helix	trans	-62.7	-41.7	179.6	-72.3	-17.6	0	0	0	112	E269 Y275 S276 E277	E269-N273 WeakPolarHBondContact O-CB 3.36Å; E269-N273 VanDerWaalsContact O-CG 3.23Å; E269-N273 PolarHBondContact O-N 2.83Å; E269-N273 PolarHBondContact O-ND2 3.44Å; N273-Y275 PolarHBondContact O-N 2.81Å; N273-S276 CarbonylContact O-C 3.15Å; N273-S276 PolarHBondContact O-N 2.83Å; N273-S276 VanDerWaalsContact O-N 3.16Å; N273-E277 WeakPolarHBondContact O-CG 3.39Å; N273-E277 PolarHBondContact O-N 2.89Å
274	K	75	Confident	67.1	Low	114 Å²	114	83.6 Å²	83.6	50%	0.496	43%	0.43	S	S	.	.	H	α-helix	trans	-60.4	-35.2	174.5	-76.1	171	-175.6	163.5	0	112.4	I196 N270 Y271 L272 S278	I196-K274 HydrophobicContact CD1-CB 4.46Å; N270-K274 VanDerWaalsContact O-CG 3.32Å; N270-K274 WeakPolarHBondContact O-CG 3.23Å; N270-K274 PolarHBondContact O-N 3.46Å; Y271-K274 PolarHBondContact O-N 2.81Å; L272-K274 PolarHBondContact O-N 3.26Å; K274-S278 PolarHBondContact O-N 3.45Å; K274-S278 VanDerWaalsContact O-N 3.13Å; K274-S278 PolarHBondContact O-OG 3.13Å
275	Y	68.4	Low	64.1	Low	33 Å²	33	87.9 Å²	87.9	13%	0.129	45%	0.453	C	S	.	.	H	α-helix	trans	-70.6	-44.4	174.2	178.2	-108.2	0	0	0	112	L195 Y271 L272 N273 E277 S278 K279	L195-Y275 HydrophobicContact CB-CD1 3.9Å; L195-Y275 HydrophobicContact CB-CD2 3.68Å; L195-Y275 HydrophobicContact CB-CE1 4.01Å; L195-Y275 HydrophobicContact CB-CE2 3.82Å; L195-Y275 HydrophobicContact CB-CG 3.69Å; L195-Y275 HydrophobicContact CD1-CD1 3.77Å; L195-Y275 HydrophobicContact CD1-CE1 4.07Å; L195-Y275 HydrophobicContact CD1-CG 4.22Å; L195-Y275 HydrophobicContact CD2-CD1 4.37Å; L195-Y275 HydrophobicContact CD2-CE1 3.84Å; L195-Y275 HydrophobicContact CG-CD1 4.23Å; L195-Y275 HydrophobicContact CG-CE1 4.19Å; L195-Y275 HydrophobicContact CG-CG 4.49Å; L195-Y275 VanDerWaalsContact O-CE2 3.27Å; L195-Y275 WeakPolarHBondContact O-CE2 3.47Å; Y271-Y275 PolarHBondContact O-N 2.84Å; L272-Y275 WeakPolarHBondContact O-CB 3.39Å; L272-Y275 PolarHBondContact O-N 3.27Å; L272-Y275 VanDerWaalsContact O-N 3.12Å; N273-Y275 PolarHBondContact O-N 2.81Å; Y275-E277 VanDerWaalsContact C-N 3.27Å; Y275-E277 PolarHBondContact O-N 2.97Å; Y275-S278 WeakPolarHBondContact CA-OG 3.33Å; Y275-S278 CarbonylContact O-C 3.57Å; Y275-S278 PolarHBondContact O-N 3.32Å; Y275-S278 PolarHBondContact O-OG 2.99Å; Y275-K279 HydrophobicContact CD1-CD 4.41Å; Y275-K279 HydrophobicContact CE1-CD 3.59Å; Y275-K279 HydrophobicContact CE1-CG 4.25Å; Y275-K279 HydrophobicContact CE2-CG 4.49Å; Y275-K279 PolarHBondContact O-N 3.22Å; Y275-K279 WeakPolarHBondContact OH-CE 3.42Å; Y275-K279 PolarHBondContact OH-NZ 3.22Å
276	S	64.9	Low	61.1	Low	55 Å²	55	89.5 Å²	89.5	39%	0.385	46%	0.461	S	S	.	.	H	α-helix	trans	-61.1	-35.2	174.1	-63.1	0	0	0	0	112.1	L272 N273 K279 Q280	L272-S276 PolarHBondContact O-N 2.75Å; L272-S276 PolarHBondContact O-OG 2.88Å; N273-S276 CarbonylContact O-C 3.15Å; N273-S276 PolarHBondContact O-N 2.83Å; N273-S276 VanDerWaalsContact O-N 3.16Å; S276-K279 CarbonylContact O-C 3.57Å; S276-K279 PolarHBondContact O-N 2.85Å; S276-Q280 VanDerWaalsContact O-CB 3.26Å; S276-Q280 WeakPolarHBondContact O-CB 3.48Å; S276-Q280 WeakPolarHBondContact O-CG 3.15Å; S276-Q280 PolarHBondContact O-N 3.28Å
277	E	59.6	Low	58.1	Low	126 Å²	126	93 Å²	93	59%	0.589	48%	0.484	S	S	*	.	H	α-helix	trans	-66.1	-42.4	173	-74.5	171	-173.5	0	0	111.5	N273 Y275 K279 Q280 M281	N273-E277 WeakPolarHBondContact O-CG 3.39Å; N273-E277 PolarHBondContact O-N 2.89Å; Y275-E277 VanDerWaalsContact C-N 3.27Å; Y275-E277 PolarHBondContact O-N 2.97Å; E277-K279 VanDerWaalsContact C-N 3.25Å; E277-K279 PolarHBondContact O-N 3.02Å; E277-Q280 PolarHBondContact O-N 3.1Å; E277-M281 PolarHBondContact O-N 2.86Å
278	S	55.5	Low	55.1	Low	61 Å²	61	100.8 Å²	100.8	43%	0.427	52%	0.524	S	S	.	.	H	α-helix	trans	-64.2	-30.6	171.6	54.8	0	0	0	0	112.7	K274 Y275	K274-S278 PolarHBondContact O-N 3.45Å; K274-S278 VanDerWaalsContact O-N 3.13Å; K274-S278 PolarHBondContact O-OG 3.13Å; Y275-S278 WeakPolarHBondContact CA-OG 3.33Å; Y275-S278 CarbonylContact O-C 3.57Å; Y275-S278 PolarHBondContact O-N 3.32Å; Y275-S278 PolarHBondContact O-OG 2.99Å
279	K	47.4	Very low	52.3	Low	95 Å²	95	99 Å²	99	41%	0.413	54%	0.537	S	S	.	.	H	α-helix	trans	-85.4	-25.1	175.6	-98.5	-167.7	167.1	165.3	0	114.7	Y275 S276 E277 D282 T283	Y275-K279 HydrophobicContact CD1-CD 4.41Å; Y275-K279 HydrophobicContact CE1-CD 3.59Å; Y275-K279 HydrophobicContact CE1-CG 4.25Å; Y275-K279 HydrophobicContact CE2-CG 4.49Å; Y275-K279 PolarHBondContact O-N 3.22Å; Y275-K279 WeakPolarHBondContact OH-CE 3.42Å; Y275-K279 PolarHBondContact OH-NZ 3.22Å; S276-K279 CarbonylContact O-C 3.57Å; S276-K279 PolarHBondContact O-N 2.85Å; E277-K279 VanDerWaalsContact C-N 3.25Å; E277-K279 PolarHBondContact O-N 3.02Å; K279-D282 CarbonylContact O-C 3.6Å; K279-D282 VanDerWaalsContact O-C 3.27Å; K279-D282 VanDerWaalsContact O-CA 3.3Å; K279-D282 WeakPolarHBondContact O-CA 3.48Å; K279-D282 PolarHBondContact O-N 2.95Å; K279-T283 PolarHBondContact O-N 2.94Å; K279-T283 PolarHBondContact O-OG1 2.8Å
280	Q	37.1	Very low	49.8	Very low	105 Å²	105	101 Å²	101	49%	0.491	55%	0.547	S	S	.	.	H	α-helix	trans	-77.4	-14.4	175.5	-85.2	-179.7	-29.2	0	0	111	S276 E277 E284	S276-Q280 VanDerWaalsContact O-CB 3.26Å; S276-Q280 WeakPolarHBondContact O-CB 3.48Å; S276-Q280 WeakPolarHBondContact O-CG 3.15Å; S276-Q280 PolarHBondContact O-N 3.28Å; E277-Q280 PolarHBondContact O-N 3.1Å; Q280-E284 HydrophobicContact CG-CG 4.25Å; Q280-E284 PolarHBondContact NE2-OE1 2.91Å
281	M	40.6	Very low	47.7	Very low	171 Å²	171	103.6 Å²	103.6	84%	0.842	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-21.3	155.9	-77.7	-166.3	76.3	0	0	113.1	E277	E277-M281 PolarHBondContact O-N 2.86Å
282	D	38.8	Very low	46	Very low	131 Å²	131	104 Å²	104	70%	0.701	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	-12.7	-177.4	-77	-21.1	0	0	0	115.7	K279	K279-D282 CarbonylContact O-C 3.6Å; K279-D282 VanDerWaalsContact O-C 3.27Å; K279-D282 VanDerWaalsContact O-CA 3.3Å; K279-D282 WeakPolarHBondContact O-CA 3.48Å; K279-D282 PolarHBondContact O-N 2.95Å
283	T	31.4	Very low	44.8	Very low	98 Å²	98	108 Å²	108	60%	0.601	58%	0.582	S	S	*	*			trans	-155.2	66.1	-171.9	35.6	0	0	0	0	112.7	K279	K279-T283 PolarHBondContact O-N 2.94Å; K279-T283 PolarHBondContact O-OG1 2.8Å
284	E	27.4	Very low	44.2	Very low	131 Å²	131	106.2 Å²	106.2	61%	0.612	57%	0.57	S	S	*	*	S	Bend	trans	-127.3	130.3	142	-89	-175.7	-177.1	0	0	109.8	Q280	Q280-E284 HydrophobicContact CG-CG 4.25Å; Q280-E284 PolarHBondContact NE2-OE1 2.91Å
285	D	27.5	Very low	44.1	Very low	133 Å²	133	106.2 Å²	106.2	71%	0.711	57%	0.57	S	S	*	*			trans	72.3	84.4	161.8	-61.4	-18.1	0	0	0	119.4	C287	D285-C287 PolarHBondContact O-N 2.75Å
286	T	25.6	Very low	44.8	Very low	133 Å²	133	105 Å²	105	82%	0.816	57%	0.566	S	S	*	*	S	Bend		14.8	86.4	106.1	-25.2	0	0	0	0	114.1
287	C	25.7	Very low	45.6	Very low	113 Å²	113	104.5 Å²	104.5	76%	0.764	56%	0.561	S	S	*	*	S	Bend	trans	46.6	81.1	156.8	-58.9	0	0	0	0	116.1	D285	D285-C287 PolarHBondContact O-N 2.75Å
288	I	25.9	Very low	47.1	Very low	174 Å²	174	98.8 Å²	98.8	89%	0.892	53%	0.534	S	S	*	.	S	Bend		-151.7	94.7	124.3	-76.1	118.7	0	0	0	107.4
289	G	27.5	Very low	48.4	Very low	68 Å²	68	98.9 Å²	98.9	70%	0.701	53%	0.531	S	S	*	.			trans	69.4	75	161.4	0	0	0	0	0	116.5	D291	G289-D291 PolarHBondContact O-N 3.12Å; G289-D291 VanDerWaalsContact O-N 3.16Å
290	Q	33.1	Very low	50.1	Low	161 Å²	161	95.9 Å²	95.9	75%	0.752	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-51.1	120.6	158.5	-82.2	178	-34.7	0	0	108.5
291	D	41.4	Very low	52	Low	127 Å²	127	93.2 Å²	93.2	68%	0.679	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-58.5	139.9	160.4	-80.6	-35.2	0	0	0	107.5	G289 E293	G289-D291 PolarHBondContact O-N 3.12Å; G289-D291 VanDerWaalsContact O-N 3.16Å; D291-E293 PolarHBondContact O-N 3.3Å
292	P	47.3	Very low	53	Low	17 Å²	17	90.2 Å²	90.2	11%	0.11	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-64.9	125.4	-172.5	-16.7	32	0	0	0	110.1	F294 I321 Y356 I370	P292-F294 WeakPolarHBondContact O-CD1 3.25Å; P292-F294 WeakPolarHBondContact O-CE1 3.49Å; P292-I321 HydrophobicContact CB-CB 4.26Å; P292-I321 HydrophobicContact CB-CD1 3.79Å; P292-I321 HydrophobicContact CB-CG1 3.67Å; P292-I321 HydrophobicContact CB-CG2 3.64Å; P292-I321 HydrophobicContact CG-CB 4.22Å; P292-I321 HydrophobicContact CG-CD1 3.79Å; P292-I321 HydrophobicContact CG-CG1 3.97Å; P292-I321 HydrophobicContact CG-CG2 3.27Å; P292-Y356 HydrophobicContact CG-CE2 4.12Å; P292-I370 HydrophobicContact CB-CD1 4.45Å; P292-I370 VanDerWaalsContact CD-CD1 3.44Å; P292-I370 HydrophobicContact CG-CD1 3.49Å; P292-I370 VanDerWaalsContact CG-CD1 3.49Å
293	E	58	Low	53.8	Low	135 Å²	135	87.5 Å²	87.5	63%	0.631	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-71	131.5	168.8	-73.2	170.4	-178.9	0	0	109.3	D291 N319	D291-E293 PolarHBondContact O-N 3.3Å; E293-N319 VanDerWaalsContact O-CB 3.28Å; E293-N319 WeakPolarHBondContact O-CB 3.24Å; E293-N319 PolarHBondContact O-N 3.13Å; E293-N319 VanDerWaalsContact O-N 3.16Å
294	F	70.3	Confident	54.7	Low	50 Å²	50	89.2 Å²	89.2	22%	0.219	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.7	173.3	34.1	-90.8	0	0	0	109.4	P292 V296 F316 T317 L318 I370 T371 L372	P292-F294 WeakPolarHBondContact O-CD1 3.25Å; P292-F294 WeakPolarHBondContact O-CE1 3.49Å; F294-V296 HydrophobicContact CD2-CG2 4.36Å; F294-F316 HydrophobicContact CD2-CD1 4.14Å; F294-T317 CarbonylContact C-O 3.56Å; F294-T317 WeakPolarHBondContact CA-O 3.23Å; F294-T317 WeakPolarHBondContact CB-O 3.26Å; F294-L318 HydrophobicContact CB-CD2 4.28Å; F294-I370 HydrophobicContact CD1-CG2 4.45Å; F294-I370 HydrophobicContact CE1-CG2 3.47Å; F294-I370 VanDerWaalsContact CE1-CG2 3.47Å; F294-I370 HydrophobicContact CZ-CG2 3.95Å; F294-T371 WeakPolarHBondContact CZ-O 3.08Å; F294-L372 HydrophobicContact CD1-CD2 4.02Å; F294-L372 HydrophobicContact CD2-CD2 4.3Å; F294-L372 HydrophobicContact CE1-CD2 4.05Å; F294-L372 HydrophobicContact CE2-CD2 4.3Å; F294-L372 WeakPolarHBondContact CE2-O 3.34Å; F294-L372 HydrophobicContact CG-CD2 4.16Å; F294-L372 HydrophobicContact CZ-CD2 4.18Å
295	F	73.5	Confident	55.7	Low	113 Å²	113	92.6 Å²	92.6	50%	0.496	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.6	173.5	-67.1	-69.1	0	0	0	109	F316 T317 N319	F295-F316 CarbonylContact O-C 3.41Å; F295-F316 WeakPolarHBondContact O-CA 3.21Å; F295-T317 PolarHBondContact N-O 2.9Å; F295-T317 PolarHBondContact O-N 2.86Å; F295-N319 WeakPolarHBondContact CD2-ND2 3.42Å; F295-N319 WeakPolarHBondContact CE2-ND2 3.34Å
296	V	81.5	Confident	56.8	Low	8 Å²	8	92 Å²	92	5%	0.048	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.1	178	-162.9	0	0	0	0	109.5	F294 V314 T315 F316 L421 T422 E423	F294-V296 HydrophobicContact CD2-CG2 4.36Å; V296-V314 HydrophobicContact CG1-CG1 3.56Å; V296-T315 CarbonylContact C-O 3.51Å; V296-T315 WeakPolarHBondContact CA-O 3.49Å; V296-F316 HydrophobicContact CB-CD1 4.32Å; V296-F316 HydrophobicContact CB-CE1 4.3Å; V296-F316 HydrophobicContact CG1-CD1 3.99Å; V296-F316 HydrophobicContact CG1-CE1 3.69Å; V296-F316 HydrophobicContact CG1-CZ 4.01Å; V296-F316 HydrophobicContact CG2-CD1 3.55Å; V296-F316 HydrophobicContact CG2-CE1 3.6Å; V296-L421 VanDerWaalsContact CB-O 3.28Å; V296-L421 WeakPolarHBondContact CB-O 3.4Å; V296-T422 HydrophobicContact CB-CG2 4.43Å; V296-T422 HydrophobicContact CG1-CG2 4.3Å; V296-T422 WeakPolarHBondContact O-CA 3.39Å; V296-E423 PolarHBondContact O-N 3.11Å
297	T	83.2	Confident	58.2	Low	45 Å²	45	93.6 Å²	93.6	28%	0.276	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	157.8	166.8	59.2	0	0	0	0	108.7	V314 T315	T297-V314 CarbonylContact O-C 3.51Å; T297-T315 PolarHBondContact N-O 3.23Å; T297-T315 PolarHBondContact O-N 3.32Å
298	W	89.3	Confident	59.5	Low	6 Å²	6	93.1 Å²	93.1	2%	0.023	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.4	173.8	73.3	-80.9	0	0	0	110.5	Q300 I312 S313 V314 W408 L411 M424	W298-Q300 HydrophobicContact CZ3-CB 4.07Å; W298-Q300 HydrophobicContact CZ3-CG 4.19Å; W298-I312 HydrophobicContact CE3-CG2 4.45Å; W298-S313 CarbonylContact C-O 3.52Å; W298-S313 WeakPolarHBondContact CA-O 3.49Å; W298-S313 WeakPolarHBondContact CB-O 3.47Å; W298-V314 HydrophobicContact CB-CG2 4.2Å; W298-W408 HydrophobicContact CH2-CB 4.22Å; W298-W408 WeakPolarHBondContact CH2-O 3.49Å; W298-W408 HydrophobicContact CZ3-CB 4.44Å; W298-L411 HydrophobicContact CB-CD2 4.13Å; W298-L411 HydrophobicContact CD2-CB 3.93Å; W298-L411 HydrophobicContact CG-CB 3.96Å; W298-L411 HydrophobicContact CG-CD2 4.16Å; W298-L411 HydrophobicContact CG-CG 4.45Å; W298-M424 HydrophobicContact CH2-CE 3.79Å; W298-M424 HydrophobicContact CZ2-CE 3.26Å; W298-M424 HydrophobicContact CZ2-CG 4.39Å; W298-M424 HydrophobicContact CZ2-SD 3.78Å
299	T	83	Confident	61.2	Low	62 Å²	62	86.6 Å²	86.6	38%	0.38	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.2	177.3	59.6	0	0	0	0	109.6	I312 S313	T299-I312 WeakPolarHBondContact O-CA 3.08Å; T299-S313 PolarHBondContact N-O 2.89Å; T299-S313 PolarHBondContact O-N 3.48Å
300	Q	84.3	Confident	63.6	Low	32 Å²	32	84.3 Å²	84.3	15%	0.15	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.3	169.2	66.3	-167.8	-58.7	0	0	108.5	W298 L311 I312 Y407 W408	W298-Q300 HydrophobicContact CZ3-CB 4.07Å; W298-Q300 HydrophobicContact CZ3-CG 4.19Å; Q300-L311 VanDerWaalsContact CA-O 3.31Å; Q300-L311 WeakPolarHBondContact CA-O 3.38Å; Q300-I312 HydrophobicContact CB-CG1 4.43Å; Q300-Y407 VanDerWaalsContact NE2-CE2 3.26Å; Q300-W408 PolarHBondContact NE2-O 2.83Å
301	T	76.3	Confident	65.9	Low	50 Å²	50	78.8 Å²	78.8	31%	0.307	42%	0.421	S	S	.	.			trans	-77.9	142.3	169.7	40.7	0	0	0	0	110.8	N308 L311	T301-N308 PolarHBondContact OG1-O 3.02Å; T301-L311 HydrophobicContact CG2-CB 4.34Å; T301-L311 PolarHBondContact N-O 3.19Å; T301-L311 PolarHBondContact OG1-N 2.56Å; T301-L311 VanDerWaalsContact OG1-N 3.11Å; T301-L311 PolarHBondContact OG1-O 3.47Å
302	D	61.8	Low	68.2	Low	108 Å²	108	72.7 Å²	72.7	58%	0.578	39%	0.389	S	S	*	.			trans	-71.9	159.1	174.6	-73.6	-35.6	0	0	0	111.3	D304	D302-D304 PolarHBondContact O-N 2.85Å; D302-D304 VanDerWaalsContact O-N 3.15Å
303	A	56	Low	70.2	Confident	73 Å²	73	72.5 Å²	72.5	60%	0.603	39%	0.388	S	S	*	.	S	Bend	trans	-72.4	-1	-174.4	0	0	0	0	0	114.5
304	D	50	Low	71.7	Confident	134 Å²	134	66.1 Å²	66.1	72%	0.717	36%	0.358	S	S	*	.	S	Bend	trans	-87.4	123.7	-172.3	-73.8	-29.1	0	0	0	113	D302 D306	D302-D304 PolarHBondContact O-N 2.85Å; D302-D304 VanDerWaalsContact O-N 3.15Å; D304-D306 PolarHBondContact O-N 3.32Å
305	E	48.3	Very low	72.6	Confident	202 Å²	202	64.6 Å²	64.6	94%	0.944	35%	0.353	S	S	*	.	S	Bend	trans	36.7	-7	169.6	-63.4	-159.1	159.2	0	0	121.6
306	D	49.7	Very low	73.4	Confident	121 Å²	121	59.2 Å²	59.2	65%	0.647	33%	0.329	S	S	*	.			trans	-81.7	141.5	176.8	-88	-32.1	0	0	0	111.9	D304 N308 S309	D304-D306 PolarHBondContact O-N 3.32Å; D306-N308 PolarHBondContact O-N 2.9Å; D306-S309 PolarHBondContact O-N 3.05Å
307	I	55.4	Low	73.6	Confident	167 Å²	167	60.9 Å²	60.9	86%	0.856	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-15.1	179.1	-63.1	168.7	0	0	0	112.4
308	N	53.8	Low	73.6	Confident	103 Å²	103	58.9 Å²	58.9	55%	0.551	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	35.9	-175.9	-69.6	-26.4	0	0	0	113.6	T301 D306 S310 L311	T301-N308 PolarHBondContact OG1-O 3.02Å; D306-N308 PolarHBondContact O-N 2.9Å; N308-S310 PolarHBondContact O-N 3.38Å; N308-L311 PolarHBondContact O-N 3.27Å
309	S	60.9	Low	73.1	Confident	36 Å²	36	61.4 Å²	61.4	25%	0.252	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	10.3	179.1	58	0	0	0	0	116.7	D306	D306-S309 PolarHBondContact O-N 3.05Å
310	S	77.5	Confident	72.8	Confident	21 Å²	21	60.2 Å²	60.2	15%	0.147	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134	19.3	-178.4	-63.8	0	0	0	0	112.3	N308 T401 K402	N308-S310 PolarHBondContact O-N 3.38Å; S310-T401 CarbonylContact O-C 3.51Å; S310-T401 VanDerWaalsContact O-CA 3.28Å; S310-T401 WeakPolarHBondContact O-CA 3.35Å; S310-K402 WeakPolarHBondContact O-CG 3.47Å; S310-K402 PolarHBondContact O-N 3.12Å
311	L	83.1	Confident	72.8	Confident	44 Å²	44	58.9 Å²	58.9	23%	0.23	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133	-178.2	-165	71.1	0	0	0	110.4	Q300 T301 N308 H399 M400	Q300-L311 VanDerWaalsContact CA-O 3.31Å; Q300-L311 WeakPolarHBondContact CA-O 3.38Å; T301-L311 HydrophobicContact CG2-CB 4.34Å; T301-L311 PolarHBondContact N-O 3.19Å; T301-L311 PolarHBondContact OG1-N 2.56Å; T301-L311 VanDerWaalsContact OG1-N 3.11Å; T301-L311 PolarHBondContact OG1-O 3.47Å; N308-L311 PolarHBondContact O-N 3.27Å; L311-H399 HydrophobicContact CD1-CB 4.26Å; L311-M400 WeakPolarHBondContact CD1-O 3.36Å
312	I	89.6	Confident	73.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.9	165.9	-66.2	171	0	0	0	106.9	W298 T299 Q300 V314 V381 H399 M400 K402 W408 L411	W298-I312 HydrophobicContact CE3-CG2 4.45Å; T299-I312 WeakPolarHBondContact O-CA 3.08Å; Q300-I312 HydrophobicContact CB-CG1 4.43Å; I312-V314 HydrophobicContact CG2-CG2 4.05Å; I312-V381 HydrophobicContact CD1-CG1 4.43Å; I312-H399 WeakPolarHBondContact O-CA 3.23Å; I312-M400 HydrophobicContact CG2-CE 4.11Å; I312-M400 PolarHBondContact N-O 3.49Å; I312-M400 PolarHBondContact O-N 3.04Å; I312-K402 HydrophobicContact CD1-CD 4.24Å; I312-K402 HydrophobicContact CD1-CG 3.51Å; I312-K402 HydrophobicContact CG1-CD 4.32Å; I312-K402 HydrophobicContact CG1-CG 3.78Å; I312-W408 HydrophobicContact CD1-CD2 3.57Å; I312-W408 HydrophobicContact CD1-CE3 3.45Å; I312-W408 VanDerWaalsContact CD1-CE3 3.45Å; I312-W408 HydrophobicContact CD1-CG 4.36Å; I312-W408 HydrophobicContact CD1-CH2 3.6Å; I312-W408 HydrophobicContact CD1-CZ2 3.72Å; I312-W408 HydrophobicContact CD1-CZ3 3.48Å; I312-W408 VanDerWaalsContact CD1-CZ3 3.48Å; I312-L411 HydrophobicContact CG2-CD1 3.88Å
313	S	87.7	Confident	74.3	Confident	13 Å²	13	53.9 Å²	53.9	9%	0.091	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.2	170.7	-168.6	0	0	0	0	109.7	W298 T299 I398 H399	W298-S313 CarbonylContact C-O 3.52Å; W298-S313 WeakPolarHBondContact CA-O 3.49Å; W298-S313 WeakPolarHBondContact CB-O 3.47Å; T299-S313 PolarHBondContact N-O 2.89Å; T299-S313 PolarHBondContact O-N 3.48Å; S313-I398 CarbonylContact C-O 3.59Å; S313-I398 WeakPolarHBondContact CA-O 3.41Å; S313-H399 PolarHBondContact OG-NE2 3.12Å
314	V	91.3	Very high	75.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.5	176.4	-173.3	0	0	0	0	107.9	V296 T297 W298 I312 F316 E397 I398 M400 L411	V296-V314 HydrophobicContact CG1-CG1 3.56Å; T297-V314 CarbonylContact O-C 3.51Å; W298-V314 HydrophobicContact CB-CG2 4.2Å; I312-V314 HydrophobicContact CG2-CG2 4.05Å; V314-F316 HydrophobicContact CB-CE2 4.19Å; V314-F316 HydrophobicContact CG1-CD2 4.42Å; V314-F316 HydrophobicContact CG1-CE2 3.57Å; V314-F316 HydrophobicContact CG1-CZ 3.65Å; V314-E397 CarbonylContact O-C 3.56Å; V314-E397 WeakPolarHBondContact O-CA 3.43Å; V314-I398 HydrophobicContact CB-CB 4.47Å; V314-I398 PolarHBondContact N-O 3.1Å; V314-I398 PolarHBondContact O-N 2.81Å; V314-M400 HydrophobicContact CG2-CE 3.76Å; V314-L411 HydrophobicContact CG1-CD2 4.02Å; V314-L411 HydrophobicContact CG2-CD1 3.81Å; V314-L411 HydrophobicContact CG2-CD2 3.79Å; V314-L411 HydrophobicContact CG2-CG 4.48Å
315	T	88.9	Confident	76.9	Confident	18 Å²	18	49.5 Å²	49.5	11%	0.11	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.5	-173.7	-59.1	0	0	0	0	110.6	V296 T297 I396 E397	V296-T315 CarbonylContact C-O 3.51Å; V296-T315 WeakPolarHBondContact CA-O 3.49Å; T297-T315 PolarHBondContact N-O 3.23Å; T297-T315 PolarHBondContact O-N 3.32Å; T315-I396 CarbonylContact C-O 3.49Å; T315-I396 WeakPolarHBondContact CA-O 3.44Å; T315-E397 HydrophobicContact CG2-CG 3.86Å
316	F	89.7	Confident	78.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	104.3	175.9	-59.5	-94.3	0	0	0	109.1	F294 F295 V296 V314 L318 L372 I373 S395 I396 I398	F294-F316 HydrophobicContact CD2-CD1 4.14Å; F295-F316 CarbonylContact O-C 3.41Å; F295-F316 WeakPolarHBondContact O-CA 3.21Å; V296-F316 HydrophobicContact CB-CD1 4.32Å; V296-F316 HydrophobicContact CB-CE1 4.3Å; V296-F316 HydrophobicContact CG1-CD1 3.99Å; V296-F316 HydrophobicContact CG1-CE1 3.69Å; V296-F316 HydrophobicContact CG1-CZ 4.01Å; V296-F316 HydrophobicContact CG2-CD1 3.55Å; V296-F316 HydrophobicContact CG2-CE1 3.6Å; V314-F316 HydrophobicContact CB-CE2 4.19Å; V314-F316 HydrophobicContact CG1-CD2 4.42Å; V314-F316 HydrophobicContact CG1-CE2 3.57Å; V314-F316 HydrophobicContact CG1-CZ 3.65Å; F316-L318 PolarHBondContact O-N 3.24Å; F316-L372 HydrophobicContact CD1-CB 3.88Å; F316-L372 HydrophobicContact CE1-CB 3.8Å; F316-L372 WeakPolarHBondContact CE1-O 3.16Å; F316-L372 HydrophobicContact CG-CB 4.4Å; F316-L372 HydrophobicContact CG-CD1 4.45Å; F316-L372 HydrophobicContact CZ-CB 4.25Å; F316-I373 HydrophobicContact CE1-CB 4.08Å; F316-I373 HydrophobicContact CE1-CG2 4.35Å; F316-I373 HydrophobicContact CZ-CB 3.91Å; F316-I373 HydrophobicContact CZ-CD1 4.38Å; F316-I373 HydrophobicContact CZ-CG2 3.74Å; F316-S395 CarbonylContact O-C 3.59Å; F316-S395 WeakPolarHBondContact O-CA 3.13Å; F316-S395 WeakPolarHBondContact O-CB 2.74Å; F316-I396 HydrophobicContact CB-CB 4.41Å; F316-I396 PolarHBondContact N-O 3.1Å; F316-I396 PolarHBondContact O-N 3.01Å; F316-I398 HydrophobicContact CD2-CD1 4.31Å; F316-I398 HydrophobicContact CD2-CG1 4.43Å; F316-I398 HydrophobicContact CE2-CD1 3.59Å; F316-I398 HydrophobicContact CE2-CG1 4.01Å; F316-I398 HydrophobicContact CZ-CD1 4.36Å
317	T	85.5	Confident	80	Confident	43 Å²	43	42.6 Å²	42.6	26%	0.264	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	116.8	172	-55.7	0	0	0	0	109.4	F294 F295	F294-T317 CarbonylContact C-O 3.56Å; F294-T317 WeakPolarHBondContact CA-O 3.23Å; F294-T317 WeakPolarHBondContact CB-O 3.26Å; F295-T317 PolarHBondContact N-O 2.9Å; F295-T317 PolarHBondContact O-N 2.86Å
318	L	84.2	Confident	81.4	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	114.7	-175	-56.3	-179.7	0	0	0	110.3	F294 F316 I321 L323 L372 Y389 N394 I396	F294-L318 HydrophobicContact CB-CD2 4.28Å; F316-L318 PolarHBondContact O-N 3.24Å; L318-I321 HydrophobicContact CB-CG1 4.04Å; L318-I321 HydrophobicContact CD1-CD1 4.47Å; L318-I321 HydrophobicContact CD2-CD1 4.3Å; L318-L323 HydrophobicContact CD1-CD1 3.67Å; L318-L372 HydrophobicContact CD2-CD2 4.34Å; L318-Y389 HydrophobicContact CD1-CE2 4.16Å; L318-N394 WeakPolarHBondContact CB-O 3.06Å; L318-N394 PolarHBondContact N-O 3.09Å; L318-N394 PolarHBondContact O-ND2 3.42Å; L318-I396 HydrophobicContact CD1-CD1 3.9Å; L318-I396 HydrophobicContact CD1-CG1 4.03Å; L318-I396 HydrophobicContact CD2-CD1 4.14Å; L318-I396 HydrophobicContact CG-CD1 4.42Å; L318-I396 HydrophobicContact CG-CG1 4.47Å
319	N	77.9	Confident	82.6	Confident	60 Å²	60	38.5 Å²	38.5	32%	0.321	24%	0.241	S	C	.	.	S	Bend	trans	-98.3	131.5	174.3	-60.4	-42.6	0	0	0	111.4	E293 F295 I321	E293-N319 VanDerWaalsContact O-CB 3.28Å; E293-N319 WeakPolarHBondContact O-CB 3.24Å; E293-N319 PolarHBondContact O-N 3.13Å; E293-N319 VanDerWaalsContact O-N 3.16Å; F295-N319 WeakPolarHBondContact CD2-ND2 3.42Å; F295-N319 WeakPolarHBondContact CE2-ND2 3.34Å; N319-I321 PolarHBondContact O-N 3.31Å; N319-I321 VanDerWaalsContact O-N 3.11Å
320	G	76.8	Confident	83.7	Confident	37 Å²	37	42.1 Å²	42.1	38%	0.381	26%	0.258	S	S	.	.	S	Bend	trans	74.6	-5.1	175.5	0	0	0	0	0	115.5	V359	G320-V359 WeakPolarHBondContact O-CB 3.45Å; G320-V359 PolarHBondContact O-N 2.9Å
321	I	83.6	Confident	84.2	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	155.2	170.2	61.2	160.3	0	0	0	111.5	P292 L318 N319 L353 Y356 I357 I370 N394	P292-I321 HydrophobicContact CB-CB 4.26Å; P292-I321 HydrophobicContact CB-CD1 3.79Å; P292-I321 HydrophobicContact CB-CG1 3.67Å; P292-I321 HydrophobicContact CB-CG2 3.64Å; P292-I321 HydrophobicContact CG-CB 4.22Å; P292-I321 HydrophobicContact CG-CD1 3.79Å; P292-I321 HydrophobicContact CG-CG1 3.97Å; P292-I321 HydrophobicContact CG-CG2 3.27Å; L318-I321 HydrophobicContact CB-CG1 4.04Å; L318-I321 HydrophobicContact CD1-CD1 4.47Å; L318-I321 HydrophobicContact CD2-CD1 4.3Å; N319-I321 PolarHBondContact O-N 3.31Å; N319-I321 VanDerWaalsContact O-N 3.11Å; I321-L353 HydrophobicContact CD1-CD2 3.69Å; I321-Y356 HydrophobicContact CB-CD2 3.74Å; I321-Y356 HydrophobicContact CB-CE2 4.48Å; I321-Y356 HydrophobicContact CB-CG 4.3Å; I321-Y356 HydrophobicContact CD1-CD2 4.11Å; I321-Y356 HydrophobicContact CD1-CG 4.01Å; I321-Y356 HydrophobicContact CG2-CD2 3.31Å; I321-Y356 HydrophobicContact CG2-CE2 3.61Å; I321-Y356 HydrophobicContact CG2-CG 4.28Å; I321-I357 CarbonylContact C-O 3.59Å; I321-I357 VanDerWaalsContact CA-O 3.27Å; I321-I357 WeakPolarHBondContact CA-O 3.13Å; I321-I370 HydrophobicContact CD1-CD1 4Å; I321-N394 PolarHBondContact O-ND2 3.1Å
322	T	85	Confident	84.5	Confident	42 Å²	42	39.6 Å²	39.6	26%	0.258	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.6	174.7	60.7	0	0	0	0	109.4	I357 V359 N394	T322-I357 PolarHBondContact N-O 2.86Å; T322-I357 PolarHBondContact O-N 2.85Å; T322-V359 HydrophobicContact CG2-CG2 3.74Å; T322-N394 WeakPolarHBondContact CG2-OD1 3.46Å
323	L	85.4	Confident	84.6	Confident	10 Å²	10	40.5 Å²	40.5	5%	0.052	25%	0.249	C	C	.	.			trans	-66.2	150.8	171	-85.4	65.5	0	0	0	111.2	L318 Y327 I331 L353 Y389 I396	L318-L323 HydrophobicContact CD1-CD1 3.67Å; L323-Y327 HydrophobicContact CB-CD1 4.01Å; L323-Y327 HydrophobicContact CB-CE1 3.89Å; L323-Y327 HydrophobicContact CD2-CD1 4.06Å; L323-Y327 HydrophobicContact CD2-CD2 4.44Å; L323-Y327 HydrophobicContact CD2-CE1 3.76Å; L323-Y327 HydrophobicContact CD2-CE2 4.15Å; L323-Y327 HydrophobicContact CD2-CG 4.4Å; L323-Y327 HydrophobicContact CG-CE1 4.45Å; L323-I331 HydrophobicContact CB-CD1 4.5Å; L323-I331 HydrophobicContact CD2-CD1 4.1Å; L323-I331 HydrophobicContact CD2-CG2 4.19Å; L323-I331 HydrophobicContact CG-CD1 3.94Å; L323-L353 HydrophobicContact CD1-CD1 4.06Å; L323-L353 HydrophobicContact CG-CD1 4.37Å; L323-Y389 HydrophobicContact CB-CD1 4.2Å; L323-Y389 HydrophobicContact CB-CE1 3.71Å; L323-Y389 HydrophobicContact CB-CE2 4.43Å; L323-Y389 HydrophobicContact CD1-CD2 3.98Å; L323-Y389 HydrophobicContact CD1-CE2 3.75Å; L323-Y389 HydrophobicContact CD1-CG 4.47Å; L323-Y389 HydrophobicContact CD2-CD1 3.97Å; L323-Y389 HydrophobicContact CD2-CD2 4.19Å; L323-Y389 HydrophobicContact CD2-CE1 4.31Å; L323-Y389 HydrophobicContact CD2-CG 3.88Å; L323-Y389 HydrophobicContact CG-CE1 4.38Å; L323-Y389 HydrophobicContact CG-CE2 4.45Å; L323-Y389 PolarHBondContact N-OH 3.24Å; L323-I396 HydrophobicContact CD1-CD1 4.14Å; L323-I396 HydrophobicContact CD1-CG1 4.36Å
324	P	83	Confident	84.8	Confident	15 Å²	15	41 Å²	41	10%	0.097	25%	0.252	C	S	.	.			trans	-57.6	161.1	173.1	-22.4	33.7	0	0	0	113.3	S326 Y327 I331 I357 L365	P324-S326 PolarHBondContact O-N 3.42Å; P324-Y327 VanDerWaalsContact O-CD1 3.25Å; P324-Y327 WeakPolarHBondContact O-CD1 3.14Å; P324-I331 HydrophobicContact CG-CD1 4.33Å; P324-I357 HydrophobicContact CB-CD1 4.11Å; P324-I357 HydrophobicContact CB-CG1 4.45Å; P324-I357 HydrophobicContact CG-CD1 4.39Å; P324-I357 HydrophobicContact CG-CG1 4.18Å; P324-L365 HydrophobicContact CB-CD1 4.42Å; P324-L365 HydrophobicContact CG-CD1 3.57Å
325	S	78.4	Confident	84.7	Confident	100 Å²	100	45.2 Å²	45.2	70%	0.699	27%	0.272	S	S	*	.	S	Bend	trans	-62	-28.5	178.5	49.2	0	0	0	0	113.4	R391	S325-R391 PolarHBondContact O-NH2 3.47Å
326	S	78.9	Confident	84.7	Confident	97 Å²	97	44.8 Å²	44.8	68%	0.678	27%	0.268	S	S	*	.	S	Bend	trans	-135.5	128.5	175.5	56.1	0	0	0	0	109.1	P324	P324-S326 PolarHBondContact O-N 3.42Å
327	Y	84.1	Confident	84.3	Confident	82 Å²	82	47.8 Å²	47.8	32%	0.322	28%	0.284	S	S	.	.			trans	-146	160	178.3	50.4	-98.5	0	0	0	109.8	L323 P324 I331 W387 Y389	L323-Y327 HydrophobicContact CB-CD1 4.01Å; L323-Y327 HydrophobicContact CB-CE1 3.89Å; L323-Y327 HydrophobicContact CD2-CD1 4.06Å; L323-Y327 HydrophobicContact CD2-CD2 4.44Å; L323-Y327 HydrophobicContact CD2-CE1 3.76Å; L323-Y327 HydrophobicContact CD2-CE2 4.15Å; L323-Y327 HydrophobicContact CD2-CG 4.4Å; L323-Y327 HydrophobicContact CG-CE1 4.45Å; P324-Y327 VanDerWaalsContact O-CD1 3.25Å; P324-Y327 WeakPolarHBondContact O-CD1 3.14Å; Y327-I331 HydrophobicContact CD1-CD1 4.29Å; Y327-I331 HydrophobicContact CD2-CB 4.49Å; Y327-I331 HydrophobicContact CD2-CD1 4.49Å; Y327-I331 HydrophobicContact CD2-CG2 3.58Å; Y327-I331 HydrophobicContact CE2-CG2 4.24Å; Y327-I331 HydrophobicContact CG-CD1 3.84Å; Y327-I331 HydrophobicContact CG-CG2 4.03Å; Y327-W387 HydrophobicContact CD2-CH2 4.28Å; Y327-W387 AromaticContact CE2-CH2 3.81Å; Y327-W387 HydrophobicContact CE2-CH2 3.81Å; Y327-W387 HydrophobicContact CE2-CZ3 4.31Å; Y327-Y389 HydrophobicContact CE1-CD1 4.31Å; Y327-Y389 WeakPolarHBondContact OH-CD1 3.35Å
328	D	83.9	Confident	83.9	Confident	97 Å²	97	48.1 Å²	48.1	52%	0.519	29%	0.287	S	S	.	.			trans	-88.7	172.8	172.2	64.2	25.7	0	0	0	111.3	N330 I331	D328-N330 PolarHBondContact O-N 2.75Å; D328-N330 WeakPolarHBondContact OD1-CA 3.42Å; D328-N330 WeakPolarHBondContact OD1-CB 3.27Å; D328-N330 PolarHBondContact OD1-N 2.93Å; D328-I331 VanDerWaalsContact O-CG2 3.24Å; D328-I331 WeakPolarHBondContact O-CG2 3.29Å; D328-I331 PolarHBondContact O-N 3.12Å; D328-I331 PolarHBondContact OD1-N 2.66Å; D328-I331 VanDerWaalsContact OD1-N 3.1Å
329	S	79.2	Confident	83.5	Confident	87 Å²	87	54.6 Å²	54.6	61%	0.608	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.8	177	55.3	0	0	0	0	113.9	W387	S329-W387 WeakPolarHBondContact O-CZ2 3.45Å
330	N	84	Confident	82.8	Confident	112 Å²	112	53.7 Å²	53.7	60%	0.599	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-4.2	-176.2	-59.3	-24.9	0	0	0	112.3	D328 V332 Y354	D328-N330 PolarHBondContact O-N 2.75Å; D328-N330 WeakPolarHBondContact OD1-CA 3.42Å; D328-N330 WeakPolarHBondContact OD1-CB 3.27Å; D328-N330 PolarHBondContact OD1-N 2.93Å; N330-V332 PolarHBondContact O-N 3.11Å; N330-Y354 WeakPolarHBondContact O-CD2 3.33Å
331	I	88.5	Confident	81.9	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.036	34%	0.336	C	S	.	.	S	Bend	trans	-57.6	-33.4	175.6	-167.2	164.6	0	0	0	112.2	L323 P324 Y327 D328 L353 Y354 S355 W387	L323-I331 HydrophobicContact CB-CD1 4.5Å; L323-I331 HydrophobicContact CD2-CD1 4.1Å; L323-I331 HydrophobicContact CD2-CG2 4.19Å; L323-I331 HydrophobicContact CG-CD1 3.94Å; P324-I331 HydrophobicContact CG-CD1 4.33Å; Y327-I331 HydrophobicContact CD1-CD1 4.29Å; Y327-I331 HydrophobicContact CD2-CB 4.49Å; Y327-I331 HydrophobicContact CD2-CD1 4.49Å; Y327-I331 HydrophobicContact CD2-CG2 3.58Å; Y327-I331 HydrophobicContact CE2-CG2 4.24Å; Y327-I331 HydrophobicContact CG-CD1 3.84Å; Y327-I331 HydrophobicContact CG-CG2 4.03Å; D328-I331 VanDerWaalsContact O-CG2 3.24Å; D328-I331 WeakPolarHBondContact O-CG2 3.29Å; D328-I331 PolarHBondContact O-N 3.12Å; D328-I331 PolarHBondContact OD1-N 2.66Å; D328-I331 VanDerWaalsContact OD1-N 3.1Å; I331-L353 HydrophobicContact CG1-CD1 3.97Å; I331-L353 CarbonylContact O-C 3.57Å; I331-L353 WeakPolarHBondContact O-CA 3.44Å; I331-Y354 PolarHBondContact O-N 3.21Å; I331-S355 VanDerWaalsContact CD1-O 3.31Å; I331-S355 WeakPolarHBondContact CD1-O 3.22Å; I331-S355 WeakPolarHBondContact CG1-O 3.25Å; I331-W387 HydrophobicContact CG2-CH2 3.57Å; I331-W387 HydrophobicContact CG2-CZ2 3.91Å
332	V	90	Very high	80.7	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.024	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.3	170.9	176.8	0	0	0	0	108.1	N330 V334 N352 L353 W387 I396	N330-V332 PolarHBondContact O-N 3.11Å; V332-V334 HydrophobicContact CG1-CG2 3.98Å; V332-N352 WeakPolarHBondContact CA-O 3.44Å; V332-L353 HydrophobicContact CG2-CD1 3.82Å; V332-W387 HydrophobicContact CB-CD2 3.86Å; V332-W387 HydrophobicContact CB-CE3 4.26Å; V332-W387 HydrophobicContact CB-CG 4.27Å; V332-W387 HydrophobicContact CB-CH2 4.33Å; V332-W387 HydrophobicContact CB-CZ2 3.93Å; V332-W387 HydrophobicContact CB-CZ3 4.49Å; V332-W387 HydrophobicContact CG1-CD2 4.16Å; V332-W387 HydrophobicContact CG1-CG 4.07Å; V332-W387 HydrophobicContact CG2-CD2 4.38Å; V332-W387 HydrophobicContact CG2-CE3 4.28Å; V332-W387 HydrophobicContact CG2-CH2 4.32Å; V332-W387 HydrophobicContact CG2-CZ2 4.42Å; V332-W387 HydrophobicContact CG2-CZ3 4.25Å; V332-W387 PolarHBondContact O-NE1 3.18Å; V332-I396 HydrophobicContact CG1-CG2 4.48Å; V332-I396 HydrophobicContact CG2-CD1 3.87Å; V332-I396 HydrophobicContact CG2-CG2 4.46Å
333	S	89.9	Confident	79.4	Confident	20 Å²	20	67.7 Å²	67.7	14%	0.14	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.9	165.8	58.3	0	0	0	0	109.3	A351 N352 Y354	S333-A351 CarbonylContact O-C 3.57Å; S333-A351 WeakPolarHBondContact O-CA 3.3Å; S333-N352 PolarHBondContact N-O 3.27Å; S333-N352 PolarHBondContact O-N 2.7Å; S333-N352 WeakPolarHBondContact OG-CB 3.08Å; S333-N352 PolarHBondContact OG-O 3.36Å; S333-Y354 VanDerWaalsContact OG-CE2 3.29Å; S333-Y354 WeakPolarHBondContact OG-CE2 3.31Å
334	V	91.9	Very high	78	Confident	24 Å²	24	71.9 Å²	71.9	15%	0.145	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.3	170.7	-174.2	0	0	0	0	107	V332 L349 R350 A351 S385 W387 I398	V332-V334 HydrophobicContact CG1-CG2 3.98Å; V334-L349 HydrophobicContact CG1-CD1 3.78Å; V334-R350 WeakPolarHBondContact CA-O 3.36Å; V334-A351 HydrophobicContact CG2-CB 4.29Å; V334-S385 WeakPolarHBondContact CG1-OG 3.46Å; V334-W387 HydrophobicContact CG2-CB 4.33Å; V334-W387 HydrophobicContact CG2-CG 4.46Å; V334-I398 HydrophobicContact CG1-CD1 4.31Å; V334-I398 HydrophobicContact CG1-CG2 3.79Å; V334-I398 HydrophobicContact CG2-CD1 3.8Å; V334-I398 HydrophobicContact CG2-CG1 4.14Å; V334-I398 HydrophobicContact CG2-CG2 4.29Å
335	E	89.2	Confident	77.3	Confident	88 Å²	88	77.6 Å²	77.6	41%	0.411	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.6	-177.9	-62.7	-179	171.8	0	0	109.6	I337 R350	E335-I337 HydrophobicContact CB-CD1 4.32Å; E335-I337 HydrophobicContact CB-CG1 4.2Å; E335-R350 HydrophobicContact CB-CB 4.4Å; E335-R350 PolarHBondContact N-O 2.67Å; E335-R350 PolarHBondContact O-N 3.06Å
336	I	89.2	Confident	77.3	Confident	8 Å²	8	77.6 Å²	77.6	4%	0.041	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	113.2	172.6	-63	157.4	0	0	0	106.9	P338 I339 Q347 I348 V381 M400	I336-P338 CarbonylContact O-C 3.48Å; I336-I339 WeakPolarHBondContact O-CG1 3.2Å; I336-I339 PolarHBondContact O-N 3.48Å; I336-Q347 HydrophobicContact CG2-CB 3.95Å; I336-Q347 HydrophobicContact CG2-CG 4.11Å; I336-I348 WeakPolarHBondContact CA-O 3.41Å; I336-V381 HydrophobicContact CD1-CG2 3.63Å; I336-V381 HydrophobicContact CG1-CG2 4.05Å; I336-V381 HydrophobicContact CG2-CG2 3.84Å; I336-M400 HydrophobicContact CD1-SD 4.47Å
337	I	82	Confident	77.6	Confident	63 Å²	63	73.1 Å²	73.1	32%	0.323	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.1	-170.7	-53.7	173.2	0	0	0	110.2	E335 Q347 I348	E335-I337 HydrophobicContact CB-CD1 4.32Å; E335-I337 HydrophobicContact CB-CG1 4.2Å; I337-Q347 CarbonylContact O-C 3.56Å; I337-Q347 WeakPolarHBondContact O-CA 3.5Å; I337-I348 PolarHBondContact N-O 2.71Å; I337-I348 PolarHBondContact O-N 3.08Å
338	P	77.8	Confident	77.7	Confident	50 Å²	50	71.8 Å²	71.8	33%	0.325	39%	0.386	S	S	.	.	S	Bend	cis	-80	149.6	-0.7	32.5	-34.2	0	0	0	112.7	I336 C340	I336-P338 CarbonylContact O-C 3.48Å; P338-C340 HydrophobicContact CG-CB 4.49Å; P338-C340 PolarHBondContact O-N 3.38Å
339	I	74.5	Confident	78.1	Confident	139 Å²	139	67.2 Å²	67.2	71%	0.713	36%	0.362	S	S	*	.			trans	-72.2	94.9	164.4	-56	174	0	0	0	106.8	I336 P383	I336-I339 WeakPolarHBondContact O-CG1 3.2Å; I336-I339 PolarHBondContact O-N 3.48Å; I339-P383 HydrophobicContact CG2-CB 3.84Å
340	C	63.5	Low	78.5	Confident	42 Å²	42	66.9 Å²	66.9	28%	0.284	35%	0.347	S	S	.	.			trans	-141.1	135.5	177.8	-154.4	0	0	0	0	109	P338 E342	P338-C340 HydrophobicContact CG-CB 4.49Å; P338-C340 PolarHBondContact O-N 3.38Å; C340-E342 VanDerWaalsContact C-N 3.3Å
341	E	58.9	Low	78.9	Confident	165 Å²	165	61.6 Å²	61.6	77%	0.771	32%	0.319	S	S	*	.	S	Bend	trans	-80.4	-14.4	174.2	-65.5	-176.2	168.6	0	0	112	Q403	E341-Q403 PolarHBondContact O-NE2 2.94Å
342	E	57.5	Low	78.9	Confident	142 Å²	142	62 Å²	62	66%	0.664	32%	0.321	S	S	*	.	S	Bend	trans	-81.8	127.6	-179	-65.9	-177.5	174.4	0	0	112.4	C340 S344	C340-E342 VanDerWaalsContact C-N 3.3Å; E342-S344 PolarHBondContact O-N 2.89Å
343	S	56.8	Low	78.9	Confident	70 Å²	70	61.8 Å²	61.8	49%	0.49	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-2.8	-169	56.6	0	0	0	0	116.9
344	S	56.9	Low	78.6	Confident	97 Å²	97	65.5 Å²	65.5	68%	0.678	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	4.2	-165.1	62.8	0	0	0	0	115.9	E342	E342-S344 PolarHBondContact O-N 2.89Å
345	K	67.2	Low	78.2	Confident	135 Å²	135	65.3 Å²	65.3	59%	0.587	33%	0.331	S	S	*	.	S	Bend	trans	-127.8	135.7	-179.3	-66.2	-177.6	-177.7	173.3	0	111.9
346	H	78.2	Confident	77.9	Confident	100 Å²	100	62 Å²	62	46%	0.463	32%	0.315	S	S	.	.			trans	-64	143.2	170.7	-65	-70.3	0	0	0	111	M376	H346-M376 HydrophobicContact CB-CE 3.91Å; H346-M376 HydrophobicContact CB-CG 3.7Å; H346-M376 HydrophobicContact CB-SD 3.47Å; H346-M376 WeakPolarHBondContact CB-SD 3.31Å
347	Q	85.9	Confident	77.5	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.019	32%	0.323	C	S	.	.			trans	-111.1	145.9	-179.9	-67.6	172	-17.7	0	0	110.4	I336 I337 M376 L377 V381	I336-Q347 HydrophobicContact CG2-CB 3.95Å; I336-Q347 HydrophobicContact CG2-CG 4.11Å; I337-Q347 CarbonylContact O-C 3.56Å; I337-Q347 WeakPolarHBondContact O-CA 3.5Å; Q347-M376 WeakPolarHBondContact O-CA 3.36Å; Q347-L377 PolarHBondContact O-N 2.74Å; Q347-V381 PolarHBondContact NE2-O 2.81Å; Q347-V381 PolarHBondContact OE1-O 3.26Å
348	I	87.2	Confident	77.2	Confident	54 Å²	54	62 Å²	62	28%	0.277	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.4	173.8	-61.6	172.9	0	0	0	107.8	I336 I337 D374 Q375 M376	I336-I348 WeakPolarHBondContact CA-O 3.41Å; I337-I348 PolarHBondContact N-O 2.71Å; I337-I348 PolarHBondContact O-N 3.08Å; I348-D374 VanDerWaalsContact CG2-OD1 3.3Å; I348-D374 WeakPolarHBondContact CG2-OD1 3.05Å; I348-Q375 CarbonylContact C-O 3.51Å; I348-Q375 WeakPolarHBondContact CA-O 3.5Å; I348-M376 HydrophobicContact CG1-SD 4.43Å
349	L	91.2	Very high	76.8	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116	165.9	174.4	62.2	0	0	0	108.2	V334 I373 D374 Q375 L377 M400	V334-L349 HydrophobicContact CG1-CD1 3.78Å; L349-I373 HydrophobicContact CD2-CD1 4.13Å; L349-I373 HydrophobicContact CD2-CG2 3.95Å; L349-I373 HydrophobicContact CG-CG2 3.8Å; L349-D374 WeakPolarHBondContact O-CA 3.35Å; L349-Q375 PolarHBondContact N-O 3.1Å; L349-Q375 PolarHBondContact O-N 3.03Å; L349-Q375 VanDerWaalsContact O-N 3.1Å; L349-L377 HydrophobicContact CB-CD1 4.08Å; L349-L377 HydrophobicContact CB-CD2 3.79Å; L349-L377 HydrophobicContact CB-CG 3.85Å; L349-L377 HydrophobicContact CD2-CD2 4.15Å; L349-M400 HydrophobicContact CD1-SD 3.71Å; L349-M400 HydrophobicContact CD2-CE 3.68Å; L349-M400 HydrophobicContact CD2-SD 3.95Å; L349-M400 HydrophobicContact CG-SD 4.35Å
350	R	89	Confident	75.9	Confident	81 Å²	81	64.9 Å²	64.9	31%	0.306	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.6	174.4	-178.7	173.7	-67.8	170.7	-6.3	109.7	V334 E335 I373 D374	V334-R350 WeakPolarHBondContact CA-O 3.36Å; E335-R350 HydrophobicContact CB-CB 4.4Å; E335-R350 PolarHBondContact N-O 2.67Å; E335-R350 PolarHBondContact O-N 3.06Å; R350-I373 CarbonylContact C-O 3.52Å; R350-I373 VanDerWaalsContact CA-O 3.25Å; R350-I373 WeakPolarHBondContact CA-O 3.3Å; R350-D374 HydrophobicContact CG-CB 4.48Å; R350-D374 IonicContact CZ-OD1 3.3Å; R350-D374 VanDerWaalsContact CZ-OD1 3.3Å; R350-D374 IonicContact CZ-OD2 3.43Å; R350-D374 IonicContact NE-OD1 2.79Å; R350-D374 PolarHBondContact NE-OD1 2.85Å; R350-D374 IonicContact NE-OD2 3.27Å; R350-D374 PolarHBondContact NE-OD2 2.66Å; R350-D374 VanDerWaalsContact NH2-CG 3.31Å; R350-D374 IonicContact NH2-OD1 2.96Å; R350-D374 PolarHBondContact NH2-OD1 3.43Å; R350-D374 IonicContact NH2-OD2 2.82Å; R350-D374 PolarHBondContact NH2-OD2 2.88Å
351	A	90.9	Very high	75.4	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.8	172.2	0	0	0	0	0	111.4	S333 V334 L372 I373 I398	S333-A351 CarbonylContact O-C 3.57Å; S333-A351 WeakPolarHBondContact O-CA 3.3Å; V334-A351 HydrophobicContact CG2-CB 4.29Å; A351-L372 HydrophobicContact CB-CB 4.36Å; A351-L372 PolarHBondContact O-N 3.15Å; A351-I373 HydrophobicContact CB-CG2 3.75Å; A351-I373 PolarHBondContact N-O 3.46Å; A351-I373 PolarHBondContact O-N 2.73Å; A351-I398 HydrophobicContact CB-CD1 3.45Å; A351-I398 VanDerWaalsContact CB-CD1 3.45Å
352	N	89	Confident	75	Confident	16 Å²	16	69.7 Å²	69.7	9%	0.086	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.2	179.1	-53.6	-65.1	0	0	0	111.5	V332 S333 Y354 I370 T371	V332-N352 WeakPolarHBondContact CA-O 3.44Å; S333-N352 PolarHBondContact N-O 3.27Å; S333-N352 PolarHBondContact O-N 2.7Å; S333-N352 WeakPolarHBondContact OG-CB 3.08Å; S333-N352 PolarHBondContact OG-O 3.36Å; N352-Y354 HydrophobicContact CB-CE2 4.17Å; N352-I370 CarbonylContact C-O 3.53Å; N352-I370 VanDerWaalsContact CA-O 3.23Å; N352-I370 WeakPolarHBondContact CA-O 3.49Å; N352-T371 WeakPolarHBondContact OD1-CA 3.4Å; N352-T371 WeakPolarHBondContact OD1-CB 3.18Å; N352-T371 PolarHBondContact OD1-OG1 2.89Å
353	L	89.3	Confident	74.8	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.5	172.4	176	64.8	0	0	0	109.7	I321 L323 I331 V332 Y356 P369 I370 L372 I396	I321-L353 HydrophobicContact CD1-CD2 3.69Å; L323-L353 HydrophobicContact CD1-CD1 4.06Å; L323-L353 HydrophobicContact CG-CD1 4.37Å; I331-L353 HydrophobicContact CG1-CD1 3.97Å; I331-L353 CarbonylContact O-C 3.57Å; I331-L353 WeakPolarHBondContact O-CA 3.44Å; V332-L353 HydrophobicContact CG2-CD1 3.82Å; L353-Y356 HydrophobicContact CD2-CD1 4.33Å; L353-Y356 HydrophobicContact CG-CD1 4.45Å; L353-P369 CarbonylContact O-C 3.58Å; L353-P369 VanDerWaalsContact O-CA 3.31Å; L353-P369 WeakPolarHBondContact O-CA 3.49Å; L353-I370 HydrophobicContact CB-CB 4.49Å; L353-I370 PolarHBondContact N-O 2.89Å; L353-I370 PolarHBondContact O-N 3.32Å; L353-L372 HydrophobicContact CB-CD1 4.29Å; L353-L372 HydrophobicContact CB-CD2 4.44Å; L353-L372 HydrophobicContact CB-CG 4.32Å; L353-I396 HydrophobicContact CD1-CD1 4.23Å; L353-I396 HydrophobicContact CD2-CD1 4.37Å
354	Y	85.3	Confident	75.2	Confident	97 Å²	97	76.5 Å²	76.5	38%	0.38	37%	0.37	S	S	.	.			trans	-88.4	-25.5	-171.7	-73.1	-79.6	0	0	0	115.2	N330 I331 S333 N352 D367 P369	N330-Y354 WeakPolarHBondContact O-CD2 3.33Å; I331-Y354 PolarHBondContact O-N 3.21Å; S333-Y354 VanDerWaalsContact OG-CE2 3.29Å; S333-Y354 WeakPolarHBondContact OG-CE2 3.31Å; N352-Y354 HydrophobicContact CB-CE2 4.17Å; Y354-D367 CarbonylContact O-C 3.46Å; Y354-D367 WeakPolarHBondContact O-CA 3.43Å; Y354-P369 HydrophobicContact CD1-CB 3.68Å; Y354-P369 HydrophobicContact CD1-CG 4.43Å; Y354-P369 HydrophobicContact CE1-CB 3.85Å; Y354-P369 HydrophobicContact CE1-CG 4.48Å
355	S	81.8	Confident	75.9	Confident	20 Å²	20	76 Å²	76	14%	0.14	36%	0.36	C	S	.	.			trans	-144.6	135.9	-177.8	-165.4	0	0	0	0	111.5	I331 L365 S366 D367	I331-S355 VanDerWaalsContact CD1-O 3.31Å; I331-S355 WeakPolarHBondContact CD1-O 3.22Å; I331-S355 WeakPolarHBondContact CG1-O 3.25Å; S355-L365 WeakPolarHBondContact OG-CD1 3.32Å; S355-S366 VanDerWaalsContact CA-O 3.29Å; S355-S366 WeakPolarHBondContact CA-O 3.43Å; S355-D367 PolarHBondContact OG-OD1 3.08Å
356	Y	84.3	Confident	76.1	Confident	19 Å²	19	71 Å²	71	8%	0.075	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	162.5	-178.3	59.5	-88	0	0	0	112.1	P292 I321 L353 S366 R368 I370	P292-Y356 HydrophobicContact CG-CE2 4.12Å; I321-Y356 HydrophobicContact CB-CD2 3.74Å; I321-Y356 HydrophobicContact CB-CE2 4.48Å; I321-Y356 HydrophobicContact CB-CG 4.3Å; I321-Y356 HydrophobicContact CD1-CD2 4.11Å; I321-Y356 HydrophobicContact CD1-CG 4.01Å; I321-Y356 HydrophobicContact CG2-CD2 3.31Å; I321-Y356 HydrophobicContact CG2-CE2 3.61Å; I321-Y356 HydrophobicContact CG2-CG 4.28Å; L353-Y356 HydrophobicContact CD2-CD1 4.33Å; L353-Y356 HydrophobicContact CG-CD1 4.45Å; Y356-S366 PolarHBondContact N-O 2.84Å; Y356-S366 VanDerWaalsContact N-O 3.09Å; Y356-S366 PolarHBondContact O-N 2.8Å; Y356-S366 PolarHBondContact OH-OG 3.07Å; Y356-R368 VanDerWaalsContact CE1-O 3.31Å; Y356-R368 WeakPolarHBondContact CE1-O 3.32Å; Y356-I370 HydrophobicContact CD1-CD1 3.7Å; Y356-I370 HydrophobicContact CD1-CG1 4.42Å; Y356-I370 HydrophobicContact CE1-CD1 3.2Å; Y356-I370 HydrophobicContact CE1-CG1 3.69Å; Y356-I370 HydrophobicContact CE2-CD1 4.11Å; Y356-I370 HydrophobicContact CG-CD1 4.35Å; Y356-I370 VanDerWaalsContact CZ-CD1 3.43Å
357	I	79.7	Confident	75.9	Confident	38 Å²	38	71.8 Å²	71.8	20%	0.195	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.3	176.3	-57.1	180	0	0	0	108.8	I321 T322 P324 K363 L365	I321-I357 CarbonylContact C-O 3.59Å; I321-I357 VanDerWaalsContact CA-O 3.27Å; I321-I357 WeakPolarHBondContact CA-O 3.13Å; T322-I357 PolarHBondContact N-O 2.86Å; T322-I357 PolarHBondContact O-N 2.85Å; P324-I357 HydrophobicContact CB-CD1 4.11Å; P324-I357 HydrophobicContact CB-CG1 4.45Å; P324-I357 HydrophobicContact CG-CD1 4.39Å; P324-I357 HydrophobicContact CG-CG1 4.18Å; I357-K363 HydrophobicContact CG2-CB 4.09Å; I357-K363 HydrophobicContact CG2-CG 4.36Å; I357-L365 HydrophobicContact CG1-CD1 4.11Å
358	A	76.1	Confident	75.4	Confident	34 Å²	34	80.9 Å²	80.9	28%	0.281	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.5	171.9	0	0	0	0	0	111.6
359	V	68.9	Low	75	Confident	91 Å²	91	82.1 Å²	82.1	55%	0.552	40%	0.395	S	S	*	.			trans	-77.3	-25.9	-178.3	-178.3	0	0	0	0	111.5	G320 T322 K361	G320-V359 WeakPolarHBondContact O-CB 3.45Å; G320-V359 PolarHBondContact O-N 2.9Å; T322-V359 HydrophobicContact CG2-CG2 3.74Å; V359-K361 PolarHBondContact O-N 3.09Å
360	K	56.9	Low	74.7	Confident	157 Å²	157	82.7 Å²	82.7	68%	0.683	40%	0.398	S	S	*	.	S	Bend	trans	-81.5	102.7	-178.1	-69.4	-178.8	-177.9	171	0	111.7	T362	K360-T362 PolarHBondContact O-N 2.72Å
361	K	52.7	Low	74.5	Confident	211 Å²	211	82.4 Å²	82.4	92%	0.917	41%	0.405	S	S	*	.	S	Bend	trans	67.2	-22.5	159.3	-69.8	-177.3	176.9	176.4	0	120.6	V359	V359-K361 PolarHBondContact O-N 3.09Å
362	T	49.3	Very low	74.2	Confident	98 Å²	98	82.5 Å²	82.5	60%	0.601	41%	0.406	S	S	*	.			trans	-134.9	113.3	165.5	51.8	0	0	0	0	108.4	K360 K364	K360-T362 PolarHBondContact O-N 2.72Å; T362-K364 PolarHBondContact O-N 2.9Å
363	K	54.3	Low	74.1	Confident	196 Å²	196	82 Å²	82	85%	0.852	40%	0.403	S	S	*	.			trans	-65.9	63.5	171.7	-70	-176	176	-176.5	0	110.2	I357	I357-K363 HydrophobicContact CG2-CB 4.09Å; I357-K363 HydrophobicContact CG2-CG 4.36Å
364	K	65.2	Low	73.9	Confident	158 Å²	158	85 Å²	85	69%	0.687	42%	0.419	S	S	*	.			trans	-96.3	127.2	178.4	-162.4	177	179.9	-176.2	0	107.1	T362 S366	T362-K364 PolarHBondContact O-N 2.9Å; K364-S366 PolarHBondContact O-N 2.92Å
365	L	71.3	Confident	74	Confident	88 Å²	88	83 Å²	83	46%	0.461	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	128.4	170.9	-168.7	69.8	0	0	0	108.3	P324 S355 I357	P324-L365 HydrophobicContact CB-CD1 4.42Å; P324-L365 HydrophobicContact CG-CD1 3.57Å; S355-L365 WeakPolarHBondContact OG-CD1 3.32Å; I357-L365 HydrophobicContact CG1-CD1 4.11Å
366	S	72.3	Confident	74.2	Confident	30 Å²	30	85.6 Å²	85.6	21%	0.21	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.2	171.4	-175.9	0	0	0	0	108.2	S355 Y356 K364	S355-S366 VanDerWaalsContact CA-O 3.29Å; S355-S366 WeakPolarHBondContact CA-O 3.43Å; Y356-S366 PolarHBondContact N-O 2.84Å; Y356-S366 VanDerWaalsContact N-O 3.09Å; Y356-S366 PolarHBondContact O-N 2.8Å; Y356-S366 PolarHBondContact OH-OG 3.07Å; K364-S366 PolarHBondContact O-N 2.92Å
367	D	72.5	Confident	74.5	Confident	115 Å²	115	84.7 Å²	84.7	62%	0.615	42%	0.42	S	S	*	.			trans	-105.8	21.3	176.3	-60.2	-37.4	0	0	0	111.8	Y354 S355	Y354-D367 CarbonylContact O-C 3.46Å; Y354-D367 WeakPolarHBondContact O-CA 3.43Å; S355-D367 PolarHBondContact OG-OD1 3.08Å
368	R	76.1	Confident	74.8	Confident	195 Å²	195	85.5 Å²	85.5	74%	0.736	42%	0.421	S	S	*	.			trans	-84.3	126.7	171.3	-71.1	-173.5	176.7	-174.4	-1.7	108.6	Y356	Y356-R368 VanDerWaalsContact CE1-O 3.31Å; Y356-R368 WeakPolarHBondContact CE1-O 3.32Å
369	P	79.7	Confident	75.3	Confident	80 Å²	80	85.6 Å²	85.6	52%	0.519	42%	0.416	S	S	.	.			trans	-68.4	137.7	178.4	26.1	-32	0	0	0	111.9	L353 Y354	L353-P369 CarbonylContact O-C 3.58Å; L353-P369 VanDerWaalsContact O-CA 3.31Å; L353-P369 WeakPolarHBondContact O-CA 3.49Å; Y354-P369 HydrophobicContact CD1-CB 3.68Å; Y354-P369 HydrophobicContact CD1-CG 4.43Å; Y354-P369 HydrophobicContact CE1-CB 3.85Å; Y354-P369 HydrophobicContact CE1-CG 4.48Å
370	I	83.3	Confident	76.1	Confident	13 Å²	13	81.9 Å²	81.9	7%	0.067	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.9	169.2	-65.9	167.1	0	0	0	108.1	P292 F294 I321 N352 L353 Y356 L372	P292-I370 HydrophobicContact CB-CD1 4.45Å; P292-I370 VanDerWaalsContact CD-CD1 3.44Å; P292-I370 HydrophobicContact CG-CD1 3.49Å; P292-I370 VanDerWaalsContact CG-CD1 3.49Å; F294-I370 HydrophobicContact CD1-CG2 4.45Å; F294-I370 HydrophobicContact CE1-CG2 3.47Å; F294-I370 VanDerWaalsContact CE1-CG2 3.47Å; F294-I370 HydrophobicContact CZ-CG2 3.95Å; I321-I370 HydrophobicContact CD1-CD1 4Å; N352-I370 CarbonylContact C-O 3.53Å; N352-I370 VanDerWaalsContact CA-O 3.23Å; N352-I370 WeakPolarHBondContact CA-O 3.49Å; L353-I370 HydrophobicContact CB-CB 4.49Å; L353-I370 PolarHBondContact N-O 2.89Å; L353-I370 PolarHBondContact O-N 3.32Å; Y356-I370 HydrophobicContact CD1-CD1 3.7Å; Y356-I370 HydrophobicContact CD1-CG1 4.42Å; Y356-I370 HydrophobicContact CE1-CD1 3.2Å; Y356-I370 HydrophobicContact CE1-CG1 3.69Å; Y356-I370 HydrophobicContact CE2-CD1 4.11Å; Y356-I370 HydrophobicContact CG-CD1 4.35Å; Y356-I370 VanDerWaalsContact CZ-CD1 3.43Å; I370-L372 HydrophobicContact CG2-CD2 4.3Å; I370-L372 PolarHBondContact O-N 2.86Å
371	T	84.8	Confident	77.7	Confident	74 Å²	74	74.4 Å²	74.4	45%	0.454	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	112.8	169.7	-60.4	0	0	0	0	109.1	F294 N352 D374	F294-T371 WeakPolarHBondContact CZ-O 3.08Å; N352-T371 WeakPolarHBondContact OD1-CA 3.4Å; N352-T371 WeakPolarHBondContact OD1-CB 3.18Å; N352-T371 PolarHBondContact OD1-OG1 2.89Å; T371-D374 HydrophobicContact CG2-CB 3.73Å
372	L	86.1	Confident	79.2	Confident	2 Å²	2	69 Å²	69	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-39.5	177.9	-62.1	175.6	0	0	0	110.9	F294 F316 L318 A351 L353 I370 I396	F294-L372 HydrophobicContact CD1-CD2 4.02Å; F294-L372 HydrophobicContact CD2-CD2 4.3Å; F294-L372 HydrophobicContact CE1-CD2 4.05Å; F294-L372 HydrophobicContact CE2-CD2 4.3Å; F294-L372 WeakPolarHBondContact CE2-O 3.34Å; F294-L372 HydrophobicContact CG-CD2 4.16Å; F294-L372 HydrophobicContact CZ-CD2 4.18Å; F316-L372 HydrophobicContact CD1-CB 3.88Å; F316-L372 HydrophobicContact CE1-CB 3.8Å; F316-L372 WeakPolarHBondContact CE1-O 3.16Å; F316-L372 HydrophobicContact CG-CB 4.4Å; F316-L372 HydrophobicContact CG-CD1 4.45Å; F316-L372 HydrophobicContact CZ-CB 4.25Å; L318-L372 HydrophobicContact CD2-CD2 4.34Å; A351-L372 HydrophobicContact CB-CB 4.36Å; A351-L372 PolarHBondContact O-N 3.15Å; L353-L372 HydrophobicContact CB-CD1 4.29Å; L353-L372 HydrophobicContact CB-CD2 4.44Å; L353-L372 HydrophobicContact CB-CG 4.32Å; I370-L372 HydrophobicContact CG2-CD2 4.3Å; I370-L372 PolarHBondContact O-N 2.86Å; L372-I396 HydrophobicContact CD1-CD1 3.88Å
373	I	86.6	Confident	80.8	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	141.2	176.8	-170.7	156.1	0	0	0	108.9	F316 L349 R350 A351 Q375 L411 L412	F316-I373 HydrophobicContact CE1-CB 4.08Å; F316-I373 HydrophobicContact CE1-CG2 4.35Å; F316-I373 HydrophobicContact CZ-CB 3.91Å; F316-I373 HydrophobicContact CZ-CD1 4.38Å; F316-I373 HydrophobicContact CZ-CG2 3.74Å; L349-I373 HydrophobicContact CD2-CD1 4.13Å; L349-I373 HydrophobicContact CD2-CG2 3.95Å; L349-I373 HydrophobicContact CG-CG2 3.8Å; R350-I373 CarbonylContact C-O 3.52Å; R350-I373 VanDerWaalsContact CA-O 3.25Å; R350-I373 WeakPolarHBondContact CA-O 3.3Å; A351-I373 HydrophobicContact CB-CG2 3.75Å; A351-I373 PolarHBondContact N-O 3.46Å; A351-I373 PolarHBondContact O-N 2.73Å; I373-Q375 HydrophobicContact CG1-CB 4.17Å; I373-Q375 HydrophobicContact CG1-CG 4.31Å; I373-L411 HydrophobicContact CD1-CD2 4.48Å; I373-L412 HydrophobicContact CD1-CD2 4.29Å
374	D	85.4	Confident	82.1	Confident	63 Å²	63	62.1 Å²	62.1	34%	0.337	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	71.7	171.3	-173.3	24.7	0	0	0	108.7	I348 L349 R350 T371	I348-D374 VanDerWaalsContact CG2-OD1 3.3Å; I348-D374 WeakPolarHBondContact CG2-OD1 3.05Å; L349-D374 WeakPolarHBondContact O-CA 3.35Å; R350-D374 HydrophobicContact CG-CB 4.48Å; R350-D374 IonicContact CZ-OD1 3.3Å; R350-D374 VanDerWaalsContact CZ-OD1 3.3Å; R350-D374 IonicContact CZ-OD2 3.43Å; R350-D374 IonicContact NE-OD1 2.79Å; R350-D374 PolarHBondContact NE-OD1 2.85Å; R350-D374 IonicContact NE-OD2 3.27Å; R350-D374 PolarHBondContact NE-OD2 2.66Å; R350-D374 VanDerWaalsContact NH2-CG 3.31Å; R350-D374 IonicContact NH2-OD1 2.96Å; R350-D374 PolarHBondContact NH2-OD1 3.43Å; R350-D374 IonicContact NH2-OD2 2.82Å; R350-D374 PolarHBondContact NH2-OD2 2.88Å; T371-D374 HydrophobicContact CG2-CB 3.73Å
375	Q	86.5	Confident	83.3	Confident	55 Å²	55	56.8 Å²	56.8	26%	0.257	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.3	-167	-67.7	-70.5	-4.3	0	0	112.4	I348 L349 I373 L377 L412 E417 L421	I348-Q375 CarbonylContact C-O 3.51Å; I348-Q375 WeakPolarHBondContact CA-O 3.5Å; L349-Q375 PolarHBondContact N-O 3.1Å; L349-Q375 PolarHBondContact O-N 3.03Å; L349-Q375 VanDerWaalsContact O-N 3.1Å; I373-Q375 HydrophobicContact CG1-CB 4.17Å; I373-Q375 HydrophobicContact CG1-CG 4.31Å; Q375-L377 PolarHBondContact O-N 3.02Å; Q375-L412 HydrophobicContact CB-CD1 3.76Å; Q375-L412 HydrophobicContact CB-CD2 3.71Å; Q375-L412 HydrophobicContact CB-CG 4.34Å; Q375-L412 HydrophobicContact CG-CD1 3.98Å; Q375-E417 PolarHBondContact NE2-OE2 3.25Å; Q375-L421 HydrophobicContact CG-CD1 3.62Å
376	M	86.9	Confident	84.1	Confident	75 Å²	75	55.8 Å²	55.8	37%	0.369	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	122.2	-179.8	-159.7	133.9	87	0	0	110.7	H346 Q347 I348 L412 L413	H346-M376 HydrophobicContact CB-CE 3.91Å; H346-M376 HydrophobicContact CB-CG 3.7Å; H346-M376 HydrophobicContact CB-SD 3.47Å; H346-M376 WeakPolarHBondContact CB-SD 3.31Å; Q347-M376 WeakPolarHBondContact O-CA 3.36Å; I348-M376 HydrophobicContact CG1-SD 4.43Å; M376-L412 CarbonylContact O-C 3.56Å; M376-L412 WeakPolarHBondContact O-CA 3.31Å; M376-L413 HydrophobicContact CB-CB 4.31Å; M376-L413 HydrophobicContact CE-CD2 3.44Å; M376-L413 VanDerWaalsContact CE-CD2 3.44Å; M376-L413 HydrophobicContact CG-CB 4.33Å; M376-L413 HydrophobicContact CG-CD2 4.25Å; M376-L413 PolarHBondContact O-N 3.45Å
377	L	89.4	Confident	85.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-67.5	150.9	176.3	-67.9	174.9	0	0	0	111	Q347 L349 Q375 E379 V381 M400 W408 L411 L412	Q347-L377 PolarHBondContact O-N 2.74Å; L349-L377 HydrophobicContact CB-CD1 4.08Å; L349-L377 HydrophobicContact CB-CD2 3.79Å; L349-L377 HydrophobicContact CB-CG 3.85Å; L349-L377 HydrophobicContact CD2-CD2 4.15Å; Q375-L377 PolarHBondContact O-N 3.02Å; L377-E379 VanDerWaalsContact C-N 3.32Å; L377-E379 PolarHBondContact O-N 3.38Å; L377-V381 HydrophobicContact CD1-CG1 4.03Å; L377-V381 HydrophobicContact CD1-CG2 3.71Å; L377-M400 HydrophobicContact CD1-SD 4.38Å; L377-W408 HydrophobicContact CB-CH2 4.11Å; L377-W408 HydrophobicContact CB-CZ3 4.32Å; L377-W408 HydrophobicContact CD2-CZ3 4.28Å; L377-L411 HydrophobicContact CD2-CD1 4.15Å; L377-L411 HydrophobicContact CD2-CG 4.41Å; L377-L412 HydrophobicContact CD2-CD2 4.42Å
378	Y	86.3	Confident	85.9	Confident	55 Å²	55	54.8 Å²	54.8	22%	0.216	29%	0.287	C	S	.	.	S	Bend	trans	-55.9	-47.6	176.8	177.5	-101.6	0	0	0	111.6	W408 P409 R410 L411	Y378-W408 HydrophobicContact CD1-CB 4.38Å; Y378-W408 HydrophobicContact CD1-CD2 4.01Å; Y378-W408 HydrophobicContact CD1-CE3 4.44Å; Y378-W408 AromaticContact CD1-CG 3.96Å; Y378-W408 HydrophobicContact CD1-CG 3.96Å; Y378-P409 HydrophobicContact CE1-CG 4.17Å; Y378-P409 HydrophobicContact CE2-CG 3.84Å; Y378-R410 VanDerWaalsContact CB-O 3.3Å; Y378-R410 WeakPolarHBondContact CB-O 3.41Å; Y378-R410 HydrophobicContact CD2-CG 3.69Å; Y378-R410 HydrophobicContact CE2-CG 4.24Å; Y378-R410 HydrophobicContact CG-CG 4.32Å; Y378-L411 WeakPolarHBondContact CB-O 3.35Å; Y378-L411 PolarHBondContact N-O 3.24Å
379	E	86.1	Confident	86.5	Confident	37 Å²	37	47.1 Å²	47.1	17%	0.173	26%	0.258	C	S	.	.	S	Bend	trans	-139.2	168.2	177.9	-88.3	-173.4	-180	0	0	112.4	L377 W408	L377-E379 VanDerWaalsContact C-N 3.32Å; L377-E379 PolarHBondContact O-N 3.38Å; E379-W408 HydrophobicContact CB-CH2 4.32Å; E379-W408 HydrophobicContact CB-CZ2 3.48Å; E379-W408 VanDerWaalsContact CB-CZ2 3.48Å; E379-W408 WeakPolarHBondContact O-CH2 3.33Å; E379-W408 VanDerWaalsContact O-CZ2 3.22Å; E379-W408 WeakPolarHBondContact O-CZ2 3.41Å; E379-W408 PolarHBondContact OE2-NE1 2.78Å
380	P	87.2	Confident	86.7	Confident	13 Å²	13	45.7 Å²	45.7	8%	0.084	25%	0.246	C	C	.	.			trans	-63.7	139.8	176.5	-21.3	33.8	0	0	0	113.5	Q403	P380-Q403 HydrophobicContact CB-CB 4.18Å; P380-Q403 VanDerWaalsContact O-CB 3.27Å; P380-Q403 WeakPolarHBondContact O-CB 3.29Å; P380-Q403 PolarHBondContact O-N 3.08Å
381	V	89.1	Confident	86.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	157.8	168.9	-64.8	0	0	0	0	109.8	I312 I336 Q347 L377 M400 T401 W408	I312-V381 HydrophobicContact CD1-CG1 4.43Å; I336-V381 HydrophobicContact CD1-CG2 3.63Å; I336-V381 HydrophobicContact CG1-CG2 4.05Å; I336-V381 HydrophobicContact CG2-CG2 3.84Å; Q347-V381 PolarHBondContact NE2-O 2.81Å; Q347-V381 PolarHBondContact OE1-O 3.26Å; L377-V381 HydrophobicContact CD1-CG1 4.03Å; L377-V381 HydrophobicContact CD1-CG2 3.71Å; V381-M400 HydrophobicContact CB-CB 4.43Å; V381-M400 HydrophobicContact CG1-CB 4.31Å; V381-M400 HydrophobicContact CG2-SD 4.32Å; V381-T401 CarbonylContact C-O 3.48Å; V381-T401 WeakPolarHBondContact CA-O 3.29Å; V381-T401 WeakPolarHBondContact CB-O 3.31Å; V381-W408 HydrophobicContact CG1-CH2 3.77Å; V381-W408 HydrophobicContact CG1-CZ2 4.04Å
382	K	85.9	Confident	86.2	Confident	97 Å²	97	57.6 Å²	57.6	42%	0.422	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	148.4	168.8	-65.6	-175.5	-173.7	174.5	0	109.2	T384 T401	K382-T384 PolarHBondContact O-N 2.77Å; K382-T401 HydrophobicContact CD-CG2 3.93Å; K382-T401 PolarHBondContact N-O 3.11Å
383	P	80.9	Confident	86	Confident	59 Å²	59	62 Å²	62	38%	0.383	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	-0.9	-176.4	28.8	-36.7	0	0	0	114.2	I339	I339-P383 HydrophobicContact CG2-CB 3.84Å
384	T	83.2	Confident	86	Confident	91 Å²	91	63.2 Å²	63.2	56%	0.558	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	117	178.2	54.7	0	0	0	0	110.9	K382	K382-T384 PolarHBondContact O-N 2.77Å
385	S	89	Confident	86.1	Confident	45 Å²	45	60.4 Å²	60.4	32%	0.315	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147	168.4	57.3	0	0	0	0	110.5	V334 H399	V334-S385 WeakPolarHBondContact CG1-OG 3.46Å; S385-H399 WeakPolarHBondContact CA-O 2.94Å
386	S	88.5	Confident	86.3	Confident	68 Å²	68	57.8 Å²	57.8	48%	0.476	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	158.9	166.5	62.1	0	0	0	0	109.7	I398 H399	S386-I398 WeakPolarHBondContact O-CA 3.34Å; S386-H399 PolarHBondContact N-O 2.87Å; S386-H399 PolarHBondContact O-N 2.88Å
387	W	93.3	Very high	86.5	Confident	58 Å²	58	56.7 Å²	56.7	22%	0.22	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.1	173.5	66.8	-95.7	0	0	0	110.6	Y327 S329 I331 V332 V334 E397 I398	Y327-W387 HydrophobicContact CD2-CH2 4.28Å; Y327-W387 AromaticContact CE2-CH2 3.81Å; Y327-W387 HydrophobicContact CE2-CH2 3.81Å; Y327-W387 HydrophobicContact CE2-CZ3 4.31Å; S329-W387 WeakPolarHBondContact O-CZ2 3.45Å; I331-W387 HydrophobicContact CG2-CH2 3.57Å; I331-W387 HydrophobicContact CG2-CZ2 3.91Å; V332-W387 HydrophobicContact CB-CD2 3.86Å; V332-W387 HydrophobicContact CB-CE3 4.26Å; V332-W387 HydrophobicContact CB-CG 4.27Å; V332-W387 HydrophobicContact CB-CH2 4.33Å; V332-W387 HydrophobicContact CB-CZ2 3.93Å; V332-W387 HydrophobicContact CB-CZ3 4.49Å; V332-W387 HydrophobicContact CG1-CD2 4.16Å; V332-W387 HydrophobicContact CG1-CG 4.07Å; V332-W387 HydrophobicContact CG2-CD2 4.38Å; V332-W387 HydrophobicContact CG2-CE3 4.28Å; V332-W387 HydrophobicContact CG2-CH2 4.32Å; V332-W387 HydrophobicContact CG2-CZ2 4.42Å; V332-W387 HydrophobicContact CG2-CZ3 4.25Å; V332-W387 PolarHBondContact O-NE1 3.18Å; V334-W387 HydrophobicContact CG2-CB 4.33Å; V334-W387 HydrophobicContact CG2-CG 4.46Å; W387-E397 CarbonylContact C-O 3.45Å; W387-E397 WeakPolarHBondContact CA-O 3.47Å; W387-I398 HydrophobicContact CB-CG1 4.31Å
388	T	88.7	Confident	86.7	Confident	65 Å²	65	56.7 Å²	56.7	40%	0.399	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	157.4	174.9	46.4	0	0	0	0	109.3	I396 E397 H399	T388-I396 CarbonylContact O-C 3.54Å; T388-I396 WeakPolarHBondContact O-CA 3.29Å; T388-E397 PolarHBondContact N-O 2.81Å; T388-E397 PolarHBondContact O-N 3.24Å; T388-H399 PolarHBondContact OG1-CE1 2.96Å
389	Y	90.2	Very high	86.9	Confident	34 Å²	34	56 Å²	56	13%	0.133	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	113.5	174.9	172.6	-116.4	0	0	0	109.4	L318 L323 Y327 R391 N394 S395 I396	L318-Y389 HydrophobicContact CD1-CE2 4.16Å; L323-Y389 HydrophobicContact CB-CD1 4.2Å; L323-Y389 HydrophobicContact CB-CE1 3.71Å; L323-Y389 HydrophobicContact CB-CE2 4.43Å; L323-Y389 HydrophobicContact CD1-CD2 3.98Å; L323-Y389 HydrophobicContact CD1-CE2 3.75Å; L323-Y389 HydrophobicContact CD1-CG 4.47Å; L323-Y389 HydrophobicContact CD2-CD1 3.97Å; L323-Y389 HydrophobicContact CD2-CD2 4.19Å; L323-Y389 HydrophobicContact CD2-CE1 4.31Å; L323-Y389 HydrophobicContact CD2-CG 3.88Å; L323-Y389 HydrophobicContact CG-CE1 4.38Å; L323-Y389 HydrophobicContact CG-CE2 4.45Å; L323-Y389 PolarHBondContact N-OH 3.24Å; Y327-Y389 HydrophobicContact CE1-CD1 4.31Å; Y327-Y389 WeakPolarHBondContact OH-CD1 3.35Å; Y389-R391 HydrophobicContact CD1-CG 3.79Å; Y389-R391 HydrophobicContact CE1-CB 4.4Å; Y389-R391 HydrophobicContact CE1-CG 3.43Å; Y389-R391 VanDerWaalsContact CE1-CG 3.43Å; Y389-R391 PolarHBondContact O-N 2.79Å; Y389-N394 PolarHBondContact OH-OD1 3.28Å; Y389-S395 CarbonylContact C-O 3.59Å; Y389-S395 WeakPolarHBondContact CA-O 3.35Å; Y389-S395 VanDerWaalsContact CD2-O 3.23Å; Y389-S395 WeakPolarHBondContact CD2-O 3.27Å; Y389-I396 HydrophobicContact CD2-CG1 3.95Å
390	D	83.5	Confident	87.1	Confident	51 Å²	51	54.2 Å²	54.2	27%	0.273	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	105.2	173.7	-176.7	1.6	0	0	0	109.9	K392 N393 N394 S395	D390-K392 PolarHBondContact O-N 3.07Å; D390-K392 VanDerWaalsContact OD1-CB 3.28Å; D390-K392 WeakPolarHBondContact OD1-CB 3.49Å; D390-K392 PolarHBondContact OD1-N 2.88Å; D390-N393 PolarHBondContact OD2-ND2 2.93Å; D390-N394 VanDerWaalsContact O-CA 3.26Å; D390-N394 WeakPolarHBondContact O-CA 3.44Å; D390-N394 PolarHBondContact O-N 2.99Å; D390-S395 PolarHBondContact N-O 2.68Å; D390-S395 PolarHBondContact O-N 3.45Å; D390-S395 VanDerWaalsContact O-N 3.13Å
391	R	80	Confident	87.1	Confident	151 Å²	151	55.5 Å²	55.5	57%	0.57	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.7	176.6	-74.7	-178.6	-179.4	-158.2	-1.3	113.7	S325 Y389	S325-R391 PolarHBondContact O-NH2 3.47Å; Y389-R391 HydrophobicContact CD1-CG 3.79Å; Y389-R391 HydrophobicContact CE1-CB 4.4Å; Y389-R391 HydrophobicContact CE1-CG 3.43Å; Y389-R391 VanDerWaalsContact CE1-CG 3.43Å; Y389-R391 PolarHBondContact O-N 2.79Å
392	K	77.3	Confident	87	Confident	185 Å²	185	55.7 Å²	55.7	80%	0.804	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-46.1	-177.1	-173.9	-175	175	-169.9	0	110.8	D390	D390-K392 PolarHBondContact O-N 3.07Å; D390-K392 VanDerWaalsContact OD1-CB 3.28Å; D390-K392 WeakPolarHBondContact OD1-CB 3.49Å; D390-K392 PolarHBondContact OD1-N 2.88Å
393	N	81.4	Confident	86.9	Confident	96 Å²	96	53.7 Å²	53.7	51%	0.513	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.5	178.1	-66.2	-38.8	0	0	0	113.1	D390 S395	D390-N393 PolarHBondContact OD2-ND2 2.93Å; N393-S395 VanDerWaalsContact C-N 3.3Å; N393-S395 PolarHBondContact O-N 3.24Å
394	N	86.2	Confident	86.9	Confident	30 Å²	30	53.5 Å²	53.5	16%	0.16	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	46.7	-175.2	-164.6	41.1	0	0	0	111.9	L318 I321 T322 Y389 D390	L318-N394 WeakPolarHBondContact CB-O 3.06Å; L318-N394 PolarHBondContact N-O 3.09Å; L318-N394 PolarHBondContact O-ND2 3.42Å; I321-N394 PolarHBondContact O-ND2 3.1Å; T322-N394 WeakPolarHBondContact CG2-OD1 3.46Å; Y389-N394 PolarHBondContact OH-OD1 3.28Å; D390-N394 VanDerWaalsContact O-CA 3.26Å; D390-N394 WeakPolarHBondContact O-CA 3.44Å; D390-N394 PolarHBondContact O-N 2.99Å
395	S	88.5	Confident	86.4	Confident	3 Å²	3	53 Å²	53	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.9	-174.2	55.1	0	0	0	0	112.8	F316 Y389 D390 N393	F316-S395 CarbonylContact O-C 3.59Å; F316-S395 WeakPolarHBondContact O-CA 3.13Å; F316-S395 WeakPolarHBondContact O-CB 2.74Å; Y389-S395 CarbonylContact C-O 3.59Å; Y389-S395 WeakPolarHBondContact CA-O 3.35Å; Y389-S395 VanDerWaalsContact CD2-O 3.23Å; Y389-S395 WeakPolarHBondContact CD2-O 3.27Å; D390-S395 PolarHBondContact N-O 2.68Å; D390-S395 PolarHBondContact O-N 3.45Å; D390-S395 VanDerWaalsContact O-N 3.13Å; N393-S395 VanDerWaalsContact C-N 3.3Å; N393-S395 PolarHBondContact O-N 3.24Å
396	I	91	Very high	85.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.7	169.6	-61.9	168.2	0	0	0	107.6	T315 F316 L318 L323 V332 L353 L372 T388 Y389 I398	T315-I396 CarbonylContact C-O 3.49Å; T315-I396 WeakPolarHBondContact CA-O 3.44Å; F316-I396 HydrophobicContact CB-CB 4.41Å; F316-I396 PolarHBondContact N-O 3.1Å; F316-I396 PolarHBondContact O-N 3.01Å; L318-I396 HydrophobicContact CD1-CD1 3.9Å; L318-I396 HydrophobicContact CD1-CG1 4.03Å; L318-I396 HydrophobicContact CD2-CD1 4.14Å; L318-I396 HydrophobicContact CG-CD1 4.42Å; L318-I396 HydrophobicContact CG-CG1 4.47Å; L323-I396 HydrophobicContact CD1-CD1 4.14Å; L323-I396 HydrophobicContact CD1-CG1 4.36Å; V332-I396 HydrophobicContact CG1-CG2 4.48Å; V332-I396 HydrophobicContact CG2-CD1 3.87Å; V332-I396 HydrophobicContact CG2-CG2 4.46Å; L353-I396 HydrophobicContact CD1-CD1 4.23Å; L353-I396 HydrophobicContact CD2-CD1 4.37Å; L372-I396 HydrophobicContact CD1-CD1 3.88Å; T388-I396 CarbonylContact O-C 3.54Å; T388-I396 WeakPolarHBondContact O-CA 3.29Å; Y389-I396 HydrophobicContact CD2-CG1 3.95Å; I396-I398 HydrophobicContact CG2-CG1 4.45Å
397	E	90.8	Very high	85.3	Confident	53 Å²	53	56.5 Å²	56.5	25%	0.248	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119	179	-57.6	-177.9	159.5	0	0	109.5	V314 T315 W387 T388 H399	V314-E397 CarbonylContact O-C 3.56Å; V314-E397 WeakPolarHBondContact O-CA 3.43Å; T315-E397 HydrophobicContact CG2-CG 3.86Å; W387-E397 CarbonylContact C-O 3.45Å; W387-E397 WeakPolarHBondContact CA-O 3.47Å; T388-E397 PolarHBondContact N-O 2.81Å; T388-E397 PolarHBondContact O-N 3.24Å; E397-H399 PolarHBondContact O-ND1 2.85Å; E397-H399 IonicContact OE2-CE1 3.82Å
398	I	93.2	Very high	84.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.1	177	-58.4	-178.5	0	0	0	108.5	S313 V314 F316 V334 A351 S386 W387 I396 M400	S313-I398 CarbonylContact C-O 3.59Å; S313-I398 WeakPolarHBondContact CA-O 3.41Å; V314-I398 HydrophobicContact CB-CB 4.47Å; V314-I398 PolarHBondContact N-O 3.1Å; V314-I398 PolarHBondContact O-N 2.81Å; F316-I398 HydrophobicContact CD2-CD1 4.31Å; F316-I398 HydrophobicContact CD2-CG1 4.43Å; F316-I398 HydrophobicContact CE2-CD1 3.59Å; F316-I398 HydrophobicContact CE2-CG1 4.01Å; F316-I398 HydrophobicContact CZ-CD1 4.36Å; V334-I398 HydrophobicContact CG1-CD1 4.31Å; V334-I398 HydrophobicContact CG1-CG2 3.79Å; V334-I398 HydrophobicContact CG2-CD1 3.8Å; V334-I398 HydrophobicContact CG2-CG1 4.14Å; V334-I398 HydrophobicContact CG2-CG2 4.29Å; A351-I398 HydrophobicContact CB-CD1 3.45Å; A351-I398 VanDerWaalsContact CB-CD1 3.45Å; S386-I398 WeakPolarHBondContact O-CA 3.34Å; W387-I398 HydrophobicContact CB-CG1 4.31Å; I396-I398 HydrophobicContact CG2-CG1 4.45Å; I398-M400 HydrophobicContact CG2-CG 4.18Å
399	H	90.3	Very high	84.4	Confident	39 Å²	39	53.8 Å²	53.8	18%	0.181	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.9	179.1	-61.2	85.8	0	0	0	109.5	L311 I312 S313 S385 S386 T388 E397	L311-H399 HydrophobicContact CD1-CB 4.26Å; I312-H399 WeakPolarHBondContact O-CA 3.23Å; S313-H399 PolarHBondContact OG-NE2 3.12Å; S385-H399 WeakPolarHBondContact CA-O 2.94Å; S386-H399 PolarHBondContact N-O 2.87Å; S386-H399 PolarHBondContact O-N 2.88Å; T388-H399 PolarHBondContact OG1-CE1 2.96Å; E397-H399 PolarHBondContact O-ND1 2.85Å; E397-H399 IonicContact OE2-CE1 3.82Å
400	M	91.1	Very high	84.1	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.5	176.7	-60.7	171.7	-72.2	0	0	109.2	L311 I312 V314 I336 L349 L377 V381 I398	L311-M400 WeakPolarHBondContact CD1-O 3.36Å; I312-M400 HydrophobicContact CG2-CE 4.11Å; I312-M400 PolarHBondContact N-O 3.49Å; I312-M400 PolarHBondContact O-N 3.04Å; V314-M400 HydrophobicContact CG2-CE 3.76Å; I336-M400 HydrophobicContact CD1-SD 4.47Å; L349-M400 HydrophobicContact CD1-SD 3.71Å; L349-M400 HydrophobicContact CD2-CE 3.68Å; L349-M400 HydrophobicContact CD2-SD 3.95Å; L349-M400 HydrophobicContact CG-SD 4.35Å; L377-M400 HydrophobicContact CD1-SD 4.38Å; V381-M400 HydrophobicContact CB-CB 4.43Å; V381-M400 HydrophobicContact CG1-CB 4.31Å; V381-M400 HydrophobicContact CG2-SD 4.32Å; I398-M400 HydrophobicContact CG2-CG 4.18Å
401	T	86.8	Confident	84.3	Confident	39 Å²	39	53.2 Å²	53.2	24%	0.239	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.4	174.3	-51.2	0	0	0	0	109.2	S310 V381 K382	S310-T401 CarbonylContact O-C 3.51Å; S310-T401 VanDerWaalsContact O-CA 3.28Å; S310-T401 WeakPolarHBondContact O-CA 3.35Å; V381-T401 CarbonylContact C-O 3.48Å; V381-T401 WeakPolarHBondContact CA-O 3.29Å; V381-T401 WeakPolarHBondContact CB-O 3.31Å; K382-T401 HydrophobicContact CD-CG2 3.93Å; K382-T401 PolarHBondContact N-O 3.11Å
402	K	88.1	Confident	84.6	Confident	5 Å²	5	46 Å²	46	2%	0.022	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	144.7	172	-57.9	172.8	-177.3	174	0	110.4	S310 I312 N404 Q406 W408	S310-K402 WeakPolarHBondContact O-CG 3.47Å; S310-K402 PolarHBondContact O-N 3.12Å; I312-K402 HydrophobicContact CD1-CD 4.24Å; I312-K402 HydrophobicContact CD1-CG 3.51Å; I312-K402 HydrophobicContact CG1-CD 4.32Å; I312-K402 HydrophobicContact CG1-CG 3.78Å; K402-N404 WeakPolarHBondContact CB-O 3.27Å; K402-Q406 PolarHBondContact NZ-O 3.1Å; K402-W408 HydrophobicContact CG-CZ2 4.42Å
403	Q	83.1	Confident	84.7	Confident	54 Å²	54	39.5 Å²	39.5	25%	0.252	20%	0.202	S	C	.	.	S	Bend	trans	-72.3	-39	170.6	-174.8	164.3	-18.3	0	0	110.7	E341 P380	E341-Q403 PolarHBondContact O-NE2 2.94Å; P380-Q403 HydrophobicContact CB-CB 4.18Å; P380-Q403 VanDerWaalsContact O-CB 3.27Å; P380-Q403 WeakPolarHBondContact O-CB 3.29Å; P380-Q403 PolarHBondContact O-N 3.08Å
404	N	79.6	Confident	84.3	Confident	55 Å²	55	37.4 Å²	37.4	29%	0.294	19%	0.191	S	C	.	.	S	Bend	trans	-113.1	138.3	176.1	-61	-28.2	0	0	0	110.1	K402 Q406	K402-N404 WeakPolarHBondContact CB-O 3.27Å; N404-Q406 HydrophobicContact CB-CG 4.48Å; N404-Q406 PolarHBondContact O-N 2.88Å
405	S	74.3	Confident	83.3	Confident	80 Å²	80	39.1 Å²	39.1	56%	0.559	20%	0.204	S	C	*	.			trans	-74.3	24.1	-179.7	59.1	0	0	0	0	114
406	Q	73.9	Confident	82.1	Confident	75 Å²	75	45 Å²	45	35%	0.35	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-78.4	153.5	179.4	-67.7	-172.8	0.7	0	0	111.4	K402 N404	K402-Q406 PolarHBondContact NZ-O 3.1Å; N404-Q406 HydrophobicContact CB-CG 4.48Å; N404-Q406 PolarHBondContact O-N 2.88Å
407	Y	80	Confident	81.1	Confident	113 Å²	113	48 Å²	48	44%	0.443	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-69.5	133.6	174.5	-179.1	-95.9	0	0	0	110.5	Q300 P409	Q300-Y407 VanDerWaalsContact NE2-CE2 3.26Å; Y407-P409 HydrophobicContact CE1-CB 4.48Å
408	W	84	Confident	80.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-96.4	116.2	175.3	-77.7	25.7	0	0	0	109.3	W298 Q300 I312 L377 Y378 E379 V381 K402 R410 L411	W298-W408 HydrophobicContact CH2-CB 4.22Å; W298-W408 WeakPolarHBondContact CH2-O 3.49Å; W298-W408 HydrophobicContact CZ3-CB 4.44Å; Q300-W408 PolarHBondContact NE2-O 2.83Å; I312-W408 HydrophobicContact CD1-CD2 3.57Å; I312-W408 HydrophobicContact CD1-CE3 3.45Å; I312-W408 VanDerWaalsContact CD1-CE3 3.45Å; I312-W408 HydrophobicContact CD1-CG 4.36Å; I312-W408 HydrophobicContact CD1-CH2 3.6Å; I312-W408 HydrophobicContact CD1-CZ2 3.72Å; I312-W408 HydrophobicContact CD1-CZ3 3.48Å; I312-W408 VanDerWaalsContact CD1-CZ3 3.48Å; L377-W408 HydrophobicContact CB-CH2 4.11Å; L377-W408 HydrophobicContact CB-CZ3 4.32Å; L377-W408 HydrophobicContact CD2-CZ3 4.28Å; Y378-W408 HydrophobicContact CD1-CB 4.38Å; Y378-W408 HydrophobicContact CD1-CD2 4.01Å; Y378-W408 HydrophobicContact CD1-CE3 4.44Å; Y378-W408 AromaticContact CD1-CG 3.96Å; Y378-W408 HydrophobicContact CD1-CG 3.96Å; E379-W408 HydrophobicContact CB-CH2 4.32Å; E379-W408 HydrophobicContact CB-CZ2 3.48Å; E379-W408 VanDerWaalsContact CB-CZ2 3.48Å; E379-W408 WeakPolarHBondContact O-CH2 3.33Å; E379-W408 VanDerWaalsContact O-CZ2 3.22Å; E379-W408 WeakPolarHBondContact O-CZ2 3.41Å; E379-W408 PolarHBondContact OE2-NE1 2.78Å; V381-W408 HydrophobicContact CG1-CH2 3.77Å; V381-W408 HydrophobicContact CG1-CZ2 4.04Å; K402-W408 HydrophobicContact CG-CZ2 4.42Å; W408-R410 PolarHBondContact O-N 2.94Å; W408-L411 HydrophobicContact CE3-CD1 4.5Å; W408-L411 HydrophobicContact CZ3-CD1 4.2Å; W408-L411 WeakPolarHBondContact CZ3-O 3.13Å
409	P	78.3	Confident	79	Confident	65 Å²	65	53.8 Å²	53.8	42%	0.422	26%	0.264	S	S	.	.	S	Bend	trans	-71.1	-16.7	174.3	29.2	-33.9	0	0	0	112.6	Y378 Y407	Y378-P409 HydrophobicContact CE1-CG 4.17Å; Y378-P409 HydrophobicContact CE2-CG 3.84Å; Y407-P409 HydrophobicContact CE1-CB 4.48Å
410	R	84.4	Confident	77.7	Confident	73 Å²	73	58 Å²	58	28%	0.275	29%	0.287	S	S	.	.			trans	-158.3	161.5	177.6	58	-179.7	-173.1	-119.8	-0	110.5	Y378 W408 L412 L413	Y378-R410 VanDerWaalsContact CB-O 3.3Å; Y378-R410 WeakPolarHBondContact CB-O 3.41Å; Y378-R410 HydrophobicContact CD2-CG 3.69Å; Y378-R410 HydrophobicContact CE2-CG 4.24Å; Y378-R410 HydrophobicContact CG-CG 4.32Å; W408-R410 PolarHBondContact O-N 2.94Å; R410-L412 WeakPolarHBondContact CD-O 3.15Å; R410-L412 VanDerWaalsContact CG-O 3.3Å; R410-L412 WeakPolarHBondContact CG-O 3.25Å; R410-L412 PolarHBondContact NE-O 3.36Å; R410-L413 PolarHBondContact NE-O 2.64Å; R410-L413 PolarHBondContact NH2-O 2.94Å
411	L	87.2	Confident	76.3	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-76.9	-42.3	177.8	-178.2	67	0	0	0	112.1	W298 I312 V314 I373 L377 Y378 W408 N418 T422	W298-L411 HydrophobicContact CB-CD2 4.13Å; W298-L411 HydrophobicContact CD2-CB 3.93Å; W298-L411 HydrophobicContact CG-CB 3.96Å; W298-L411 HydrophobicContact CG-CD2 4.16Å; W298-L411 HydrophobicContact CG-CG 4.45Å; I312-L411 HydrophobicContact CG2-CD1 3.88Å; V314-L411 HydrophobicContact CG1-CD2 4.02Å; V314-L411 HydrophobicContact CG2-CD1 3.81Å; V314-L411 HydrophobicContact CG2-CD2 3.79Å; V314-L411 HydrophobicContact CG2-CG 4.48Å; I373-L411 HydrophobicContact CD1-CD2 4.48Å; L377-L411 HydrophobicContact CD2-CD1 4.15Å; L377-L411 HydrophobicContact CD2-CG 4.41Å; Y378-L411 WeakPolarHBondContact CB-O 3.35Å; Y378-L411 PolarHBondContact N-O 3.24Å; W408-L411 HydrophobicContact CE3-CD1 4.5Å; W408-L411 HydrophobicContact CZ3-CD1 4.2Å; W408-L411 WeakPolarHBondContact CZ3-O 3.13Å; L411-N418 PolarHBondContact N-OD1 3.43Å; L411-T422 HydrophobicContact CD2-CG2 4.2Å
412	L	86.8	Confident	75.1	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-107.4	150.9	-172.5	-53.8	-178.9	0	0	0	113.2	I373 Q375 M376 L377 R410 E417 N418 L421	I373-L412 HydrophobicContact CD1-CD2 4.29Å; Q375-L412 HydrophobicContact CB-CD1 3.76Å; Q375-L412 HydrophobicContact CB-CD2 3.71Å; Q375-L412 HydrophobicContact CB-CG 4.34Å; Q375-L412 HydrophobicContact CG-CD1 3.98Å; M376-L412 CarbonylContact O-C 3.56Å; M376-L412 WeakPolarHBondContact O-CA 3.31Å; L377-L412 HydrophobicContact CD2-CD2 4.42Å; R410-L412 WeakPolarHBondContact CD-O 3.15Å; R410-L412 VanDerWaalsContact CG-O 3.3Å; R410-L412 WeakPolarHBondContact CG-O 3.25Å; R410-L412 PolarHBondContact NE-O 3.36Å; L412-E417 HydrophobicContact CD1-CB 4.24Å; L412-N418 HydrophobicContact CB-CB 4.02Å; L412-N418 PolarHBondContact N-OD1 3.42Å; L412-L421 HydrophobicContact CD1-CB 4.42Å; L412-L421 HydrophobicContact CD1-CD1 3.5Å; L412-L421 VanDerWaalsContact CD1-CD1 3.5Å
413	L	79	Confident	73.5	Confident	47 Å²	47	65.5 Å²	65.5	25%	0.246	32%	0.321	C	S	.	.	S	Bend	trans	-66.6	-42.5	-179.4	-171.5	69	0	0	0	112.4	M376 R410 P415	M376-L413 HydrophobicContact CB-CB 4.31Å; M376-L413 HydrophobicContact CE-CD2 3.44Å; M376-L413 VanDerWaalsContact CE-CD2 3.44Å; M376-L413 HydrophobicContact CG-CB 4.33Å; M376-L413 HydrophobicContact CG-CD2 4.25Å; M376-L413 PolarHBondContact O-N 3.45Å; R410-L413 PolarHBondContact NE-O 2.64Å; R410-L413 PolarHBondContact NH2-O 2.94Å; L413-P415 WeakPolarHBondContact O-CD 3.13Å
414	D	73.3	Confident	71.1	Confident	52 Å²	52	66.4 Å²	66.4	28%	0.278	33%	0.326	S	S	.	.	S	Bend	trans	-82.6	115.2	174	-168.4	-31.8	0	0	0	109.6	R416 E417 N418	D414-R416 PolarHBondContact O-N 3.3Å; D414-R416 WeakPolarHBondContact OD1-CB 3.14Å; D414-R416 PolarHBondContact OD1-N 3.46Å; D414-R416 IonicContact OD1-NE 3.91Å; D414-R416 PolarHBondContact OD1-NE 3.49Å; D414-R416 IonicContact OD1-NH2 3.65Å; D414-R416 IonicContact OD2-CZ 3.95Å; D414-R416 IonicContact OD2-NE 2.87Å; D414-R416 IonicContact OD2-NH2 3.31Å; D414-R416 PolarHBondContact OD2-NH2 3.06Å; D414-E417 HydrophobicContact CB-CB 4.16Å; D414-E417 HydrophobicContact CB-CG 3.95Å; D414-E417 PolarHBondContact O-N 3.35Å; D414-N418 PolarHBondContact O-N 2.88Å
415	P	66.1	Low	68.9	Low	67 Å²	67	70.5 Å²	70.5	44%	0.435	34%	0.343	S	S	.	.	H	α-helix	trans	-64.9	-22.4	-179.6	21.5	-28.1	0	0	0	113.8	L413 K419	L413-P415 WeakPolarHBondContact O-CD 3.13Å; P415-K419 WeakPolarHBondContact O-CB 3.17Å; P415-K419 PolarHBondContact O-N 2.83Å
416	R	62.3	Low	66.6	Low	126 Å²	126	70 Å²	70	48%	0.475	34%	0.339	S	S	.	.	H	α-helix	trans	-72.1	-48	175.2	-65.5	172.1	-67.9	166.5	4.3	110.7	D414 N418 K419 I420	D414-R416 PolarHBondContact O-N 3.3Å; D414-R416 WeakPolarHBondContact OD1-CB 3.14Å; D414-R416 PolarHBondContact OD1-N 3.46Å; D414-R416 IonicContact OD1-NE 3.91Å; D414-R416 PolarHBondContact OD1-NE 3.49Å; D414-R416 IonicContact OD1-NH2 3.65Å; D414-R416 IonicContact OD2-CZ 3.95Å; D414-R416 IonicContact OD2-NE 2.87Å; D414-R416 IonicContact OD2-NH2 3.31Å; D414-R416 PolarHBondContact OD2-NH2 3.06Å; R416-N418 VanDerWaalsContact C-N 3.3Å; R416-N418 PolarHBondContact O-N 3.37Å; R416-K419 PolarHBondContact O-N 3.36Å; R416-I420 WeakPolarHBondContact O-CD1 3.49Å; R416-I420 VanDerWaalsContact O-CG1 3.22Å; R416-I420 WeakPolarHBondContact O-CG1 3.11Å; R416-I420 PolarHBondContact O-N 2.99Å
417	E	70.7	Confident	64.3	Low	64 Å²	64	71.1 Å²	71.1	30%	0.299	36%	0.355	S	S	.	.	H	α-helix	trans	-61	-41.7	174.1	-63.8	-63.3	140.7	0	0	110.5	Q375 L412 D414 K419 I420 L421	Q375-E417 PolarHBondContact NE2-OE2 3.25Å; L412-E417 HydrophobicContact CD1-CB 4.24Å; D414-E417 HydrophobicContact CB-CB 4.16Å; D414-E417 HydrophobicContact CB-CG 3.95Å; D414-E417 PolarHBondContact O-N 3.35Å; E417-K419 VanDerWaalsContact C-N 3.34Å; E417-K419 PolarHBondContact O-N 3.3Å; E417-I420 PolarHBondContact O-N 3.36Å; E417-L421 VanDerWaalsContact O-CB 3.31Å; E417-L421 WeakPolarHBondContact O-CB 3.29Å; E417-L421 PolarHBondContact O-N 3.25Å
418	N	74.8	Confident	61.7	Low	15 Å²	15	73.5 Å²	73.5	8%	0.08	37%	0.37	C	S	.	.	H	α-helix	trans	-58.3	-44.6	175.8	-164.1	88.2	0	0	0	112.3	L411 L412 D414 R416 T422	L411-N418 PolarHBondContact N-OD1 3.43Å; L412-N418 HydrophobicContact CB-CB 4.02Å; L412-N418 PolarHBondContact N-OD1 3.42Å; D414-N418 PolarHBondContact O-N 2.88Å; R416-N418 VanDerWaalsContact C-N 3.3Å; R416-N418 PolarHBondContact O-N 3.37Å; N418-T422 PolarHBondContact ND2-OG1 3.05Å; N418-T422 WeakPolarHBondContact O-CA 3.49Å; N418-T422 WeakPolarHBondContact O-CB 3.47Å; N418-T422 PolarHBondContact O-N 3.16Å; N418-T422 PolarHBondContact O-OG1 3.21Å
419	K	64.9	Low	59	Low	159 Å²	159	82.4 Å²	82.4	69%	0.691	41%	0.411	S	S	*	.	H	α-helix	trans	-71.5	-33.1	-180	-172.2	172.6	-176.8	168.9	0	112.9	P415 R416 E417	P415-K419 WeakPolarHBondContact O-CB 3.17Å; P415-K419 PolarHBondContact O-N 2.83Å; R416-K419 PolarHBondContact O-N 3.36Å; E417-K419 VanDerWaalsContact C-N 3.34Å; E417-K419 PolarHBondContact O-N 3.3Å
420	I	63.4	Low	56.3	Low	128 Å²	128	87 Å²	87	66%	0.656	43%	0.431	S	S	*	.	H	α-helix	trans	-69.3	-41.5	175.4	-68.4	163.5	0	0	0	110.3	R416 E417	R416-I420 WeakPolarHBondContact O-CD1 3.49Å; R416-I420 VanDerWaalsContact O-CG1 3.22Å; R416-I420 WeakPolarHBondContact O-CG1 3.11Å; R416-I420 PolarHBondContact O-N 2.99Å; E417-I420 PolarHBondContact O-N 3.36Å
421	L	60.9	Low	53.5	Low	43 Å²	43	86.6 Å²	86.6	23%	0.225	45%	0.449	C	S	.	.	H	α-helix	trans	-86.5	-35.9	-173.8	-75.9	158.5	0	0	0	113.6	V296 Q375 L412 E417	V296-L421 VanDerWaalsContact CB-O 3.28Å; V296-L421 WeakPolarHBondContact CB-O 3.4Å; Q375-L421 HydrophobicContact CG-CD1 3.62Å; L412-L421 HydrophobicContact CD1-CB 4.42Å; L412-L421 HydrophobicContact CD1-CD1 3.5Å; L412-L421 VanDerWaalsContact CD1-CD1 3.5Å; E417-L421 VanDerWaalsContact O-CB 3.31Å; E417-L421 WeakPolarHBondContact O-CB 3.29Å; E417-L421 PolarHBondContact O-N 3.25Å
422	T	62.1	Low	50.5	Low	10 Å²	10	93.7 Å²	93.7	6%	0.061	49%	0.486	C	S	.	.	B	Isolated β-bridge	trans	-120.4	122.4	-169.8	66	0	0	0	0	113.1	V296 L411 N418	V296-T422 HydrophobicContact CB-CG2 4.43Å; V296-T422 HydrophobicContact CG1-CG2 4.3Å; V296-T422 WeakPolarHBondContact O-CA 3.39Å; L411-T422 HydrophobicContact CD2-CG2 4.2Å; N418-T422 PolarHBondContact ND2-OG1 3.05Å; N418-T422 WeakPolarHBondContact O-CA 3.49Å; N418-T422 WeakPolarHBondContact O-CB 3.47Å; N418-T422 PolarHBondContact O-N 3.16Å; N418-T422 PolarHBondContact O-OG1 3.21Å
423	E	53.5	Low	47.5	Very low	148 Å²	148	100.4 Å²	100.4	69%	0.692	52%	0.522	S	S	*	.			trans	-87.1	115.9	158.4	-72.3	-178.9	173.8	0	0	107.3	V296	V296-E423 PolarHBondContact O-N 3.11Å
424	M	33.5	Very low	45	Very low	74 Å²	74	104.7 Å²	104.7	37%	0.365	55%	0.545	S	S	.	.			trans	-89.5	116.1	-169.8	-161.2	168.7	168.4	0	0	110.5	W298	W298-M424 HydrophobicContact CH2-CE 3.79Å; W298-M424 HydrophobicContact CZ2-CE 3.26Å; W298-M424 HydrophobicContact CZ2-CG 4.39Å; W298-M424 HydrophobicContact CZ2-SD 3.78Å
425	H	33.7	Very low	42.9	Very low	141 Å²	141	110.8 Å²	110.8	65%	0.653	57%	0.572	S	S	*	*			trans	-110.4	102.9	167.7	-91.4	-31.4	0	0	0	109.8	S427	H425-S427 PolarHBondContact O-N 2.9Å
426	C	26	Very low	40.8	Very low	69 Å²	69	115.5 Å²	115.5	47%	0.466	59%	0.59	S	S	.	*			trans	-73.6	117.2	166.8	-71.7	0	0	0	0	109.2	H428	C426-H428 PolarHBondContact O-N 2.8Å; C426-H428 PolarHBondContact O-ND1 2.95Å
427	S	25.4	Very low	39.2	Very low	99 Å²	99	120.7 Å²	120.7	69%	0.692	61%	0.61	S	S	*	*			trans	-71.2	93.1	171.5	-60.5	0	0	0	0	109.4	H425 H429	H425-S427 PolarHBondContact O-N 2.9Å; S427-H429 PolarHBondContact O-N 3.46Å
428	H	25.2	Very low	37	Very low	163 Å²	163	122.6 Å²	122.6	76%	0.755	63%	0.625	S	S	*	*			trans	-73.3	107.2	168.4	-78.7	72.1	0	0	0	108.8	C426	C426-H428 PolarHBondContact O-N 2.8Å; C426-H428 PolarHBondContact O-ND1 2.95Å
429	H	26.5	Very low	34.6	Very low	187 Å²	187	130.3 Å²	130.3	87%	0.866	66%	0.661	S	S	*	*			trans	-97.3	112.3	156.9	-92.1	-64.4	0	0	0	109.9	S427 G431	S427-H429 PolarHBondContact O-N 3.46Å; H429-G431 PolarHBondContact O-N 3.33Å
430	I	22.7	Very low	32.7	Very low	162 Å²	162	128 Å²	128	83%	0.831	67%	0.665	S	S	*	*			trans	-70.1	112.8	173.2	-62.3	166.3	0	0	0	108.3
431	G	24.9	Very low	31	Very low	63 Å²	63	129 Å²	129	65%	0.649	67%	0.671	S	S	*	*			trans	-170.4	86.2	164.8	0	0	0	0	0	107.1	H429	H429-G431 PolarHBondContact O-N 3.33Å
432	L	24.7	Very low	29.4	Very low	150 Å²	150	134.8 Å²	134.8	79%	0.785	70%	0.697	S	S	*	*				44.7	116.2	93.4	-75.5	171	0	0	0	114
433	D	24.3	Very low	27.8	Very low	141 Å²	141	143.4 Å²	143.4	75%	0.754	73%	0.734	S	S	*	*			trans	91.3	103.5	151.3	-60.2	-18.5	0	0	0	119.1
434	D	26.3	Very low	26.9	Very low	137 Å²	137	141.4 Å²	141.4	73%	0.733	74%	0.743	S	S	*	*				77.3	102.7	113.7	-149.2	29	0	0	0	116.8
435	Q	28.2	Very low	26.8	Very low	180 Å²	180	144.7 Å²	144.7	84%	0.841	76%	0.762	S	S	*	*				174.3	137.8	113.6	-92.1	165.4	40.4	0	0	115.4
436	M	23.5	Very low	26.9	Very low	167 Å²	167	146.3 Å²	146.3	82%	0.823	77%	0.774	S	S	*	*			trans	-45.7	141.5	162.6	-63.9	167.2	55.6	0	0	115.5
437	R	28.7	Very low	27.2	Very low	235 Å²	235	145.9 Å²	145.9	89%	0.887	77%	0.77	S	S	*	*				-179	113.6	128.6	-106.9	176.3	141.5	134.5	-5.8	110.6
438	V	24.1	Very low	27.6	Very low	103 Å²	103	147.3 Å²	147.3	62%	0.624	78%	0.776	S	S	*	*				71.8	108.2	86	177.1	0	0	0	0	114.8
439	Q	23.1	Very low	27.9	Very low	178 Å²	178	147.3 Å²	147.3	83%	0.832	78%	0.777	S	S	*	*			trans	51.2	123.4	140.9	-62.1	172.3	-3.4	0	0	120
440	S	26.3	Very low	28.5	Very low	111 Å²	111	140.8 Å²	140.8	78%	0.776	75%	0.751	S	S	*	*				174.1	134.6	105.7	39.2	0	0	0	0	113.5
441	D	27.2	Very low	29.6	Very low	147 Å²	147	139 Å²	139	79%	0.786	75%	0.75	S	S	*	*			trans	47	126.1	138.9	-64.4	-18.5	0	0	0	124.5
442	E	28.4	Very low	30.5	Very low	166 Å²	166	140.9 Å²	140.9	78%	0.776	74%	0.74	S	S	*	*			trans	65.1	100	135.2	-66.8	-167.7	177	0	0	121
443	K	28.5	Very low	31.8	Very low	190 Å²	190	138.3 Å²	138.3	83%	0.826	73%	0.728	S	S	*	*				167	135.6	97	-102.7	172.7	-177.3	170	0	110.2	D445	K443-D445 PolarHBondContact O-N 2.75Å
444	A	32.7	Very low	33.2	Very low	106 Å²	106	135.3 Å²	135.3	88%	0.876	71%	0.714	S	S	*	*			trans	-66.1	109.8	179.3	0	0	0	0	0	111
445	D	32.3	Very low	34.2	Very low	143 Å²	143	132.2 Å²	132.2	77%	0.765	71%	0.714	S	S	*	*			trans	-103.9	129.1	166.1	-146.8	-4	0	0	0	108.8	K443 T447	K443-D445 PolarHBondContact O-N 2.75Å; D445-T447 VanDerWaalsContact C-N 3.31Å; D445-T447 PolarHBondContact O-N 3.23Å
446	L	35.1	Very low	35.4	Very low	175 Å²	175	130.7 Å²	130.7	92%	0.916	71%	0.707	S	S	*	*			trans	-82	76	-173.6	-72.6	162.5	0	0	0	109.4
447	T	32.9	Very low	36.8	Very low	60 Å²	60	126 Å²	126	37%	0.368	69%	0.685	S	S	.	*			trans	-107.7	143.1	160.4	49.9	0	0	0	0	108.7	D445 E449	D445-T447 VanDerWaalsContact C-N 3.31Å; D445-T447 PolarHBondContact O-N 3.23Å; T447-E449 PolarHBondContact O-N 3.06Å
448	P	33.4	Very low	38.2	Very low	129 Å²	129	119 Å²	119	84%	0.838	66%	0.663	S	S	*	*			trans	-70.1	100.2	177.8	21.9	-15.7	0	0	0	107
449	E	31.8	Very low	39.7	Very low	164 Å²	164	121.7 Å²	121.7	77%	0.766	67%	0.669	S	S	*	*			trans	-50.6	136.7	167	-74.5	-177.6	150.9	0	0	108	T447	T447-E449 PolarHBondContact O-N 3.06Å
450	P	40.2	Very low	41.3	Very low	50 Å²	50	114.7 Å²	114.7	33%	0.325	64%	0.638	S	S	.	*			trans	-49.6	142	164.3	21.2	-29.7	0	0	0	107.9	F452	P450-F452 PolarHBondContact O-N 2.96Å
451	P	45.5	Very low	42.7	Very low	123 Å²	123	111.5 Å²	111.5	80%	0.799	61%	0.612	S	S	*	*	S	Bend	trans	-62.3	-3.1	-170.5	22.1	-31	0	0	0	114
452	F	42.4	Very low	44.2	Very low	103 Å²	103	110.4 Å²	110.4	45%	0.452	60%	0.601	S	S	.	*	S	Bend	trans	-138	150.7	177	57.3	-89.4	0	0	0	110.9	P450	P450-F452 PolarHBondContact O-N 2.96Å
453	N	52.5	Low	45.4	Very low	97 Å²	97	106.8 Å²	106.8	52%	0.519	59%	0.591	S	S	.	*			trans	-90.5	118.2	177.9	-175.7	-18.7	0	0	0	110	G455 Q456	N453-G455 PolarHBondContact O-N 3.16Å; N453-G455 PolarHBondContact OD1-N 3Å; N453-Q456 HydrophobicContact CB-CB 4.45Å; N453-Q456 HydrophobicContact CB-CG 4.07Å; N453-Q456 WeakPolarHBondContact O-CB 3.33Å; N453-Q456 PolarHBondContact O-N 2.88Å
454	V	53.4	Low	46.6	Very low	77 Å²	77	105.3 Å²	105.3	47%	0.467	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-57.2	-32	179.4	-175	0	0	0	0	112	Q456 L457	V454-Q456 PolarHBondContact O-N 2.99Å; V454-L457 HydrophobicContact CB-CD1 4.45Å; V454-L457 HydrophobicContact CG1-CD1 3.94Å; V454-L457 WeakPolarHBondContact O-CB 2.95Å; V454-L457 WeakPolarHBondContact O-CG 3.22Å; V454-L457 PolarHBondContact O-N 2.93Å
455	G	47.7	Very low	47.5	Very low	72 Å²	72	103 Å²	103	74%	0.742	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-71.9	-4.2	176.5	0	0	0	0	0	115	N453	N453-G455 PolarHBondContact O-N 3.16Å; N453-G455 PolarHBondContact OD1-N 3Å
456	Q	53.6	Low	48.4	Very low	148 Å²	148	105.2 Å²	105.2	69%	0.692	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-102.5	0	173.4	-66.4	-176.6	-29.4	0	0	113.1	N453 V454 E458	N453-Q456 HydrophobicContact CB-CB 4.45Å; N453-Q456 HydrophobicContact CB-CG 4.07Å; N453-Q456 WeakPolarHBondContact O-CB 3.33Å; N453-Q456 PolarHBondContact O-N 2.88Å; V454-Q456 PolarHBondContact O-N 2.99Å; Q456-E458 PolarHBondContact O-N 2.9Å
457	L	52.7	Low	49.2	Very low	68 Å²	68	102.1 Å²	102.1	36%	0.356	56%	0.557	S	S	.	*			trans	-68.6	129.8	175.2	-64.7	172.1	0	0	0	109.6	V454 D461 F462	V454-L457 HydrophobicContact CB-CD1 4.45Å; V454-L457 HydrophobicContact CG1-CD1 3.94Å; V454-L457 WeakPolarHBondContact O-CB 2.95Å; V454-L457 WeakPolarHBondContact O-CG 3.22Å; V454-L457 PolarHBondContact O-N 2.93Å; L457-D461 WeakPolarHBondContact CA-OD2 3.31Å; L457-D461 HydrophobicContact CB-CB 4.38Å; L457-D461 HydrophobicContact CD2-CB 3.95Å; L457-F462 HydrophobicContact CB-CE2 4.46Å; L457-F462 HydrophobicContact CB-CZ 4.47Å
458	E	58.8	Low	50.5	Low	90 Å²	90	103.4 Å²	103.4	42%	0.421	56%	0.559	S	S	.	*			trans	-96.4	164.6	175.5	-67.8	-173.1	177.7	0	0	110.5	Q456 V460 D461 F462 Y549	Q456-E458 PolarHBondContact O-N 2.9Å; E458-V460 HydrophobicContact CB-CG2 3.93Å; E458-V460 PolarHBondContact O-N 2.91Å; E458-D461 PolarHBondContact N-OD2 2.84Å; E458-D461 WeakPolarHBondContact O-CB 3.48Å; E458-D461 PolarHBondContact O-N 2.67Å; E458-F462 WeakPolarHBondContact O-CD2 3.39Å; E458-Y549 WeakPolarHBondContact OE1-CE2 3.35Å
459	E	56.1	Low	52.1	Low	159 Å²	159	99 Å²	99	74%	0.743	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-51.3	-26.7	177.5	-71.7	-178.7	172.2	0	0	113.6	D461	E459-D461 VanDerWaalsContact C-N 3.26Å; E459-D461 PolarHBondContact O-N 2.79Å
460	V	56.5	Low	54.5	Low	30 Å²	30	95.1 Å²	95.1	18%	0.182	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-75.4	-11	179.1	-62.4	0	0	0	0	114.2	E458 Q493 A552	E458-V460 HydrophobicContact CB-CG2 3.93Å; E458-V460 PolarHBondContact O-N 2.91Å; V460-Q493 PolarHBondContact O-NE2 2.97Å; V460-A552 HydrophobicContact CG2-CB 4.29Å
461	D	54.9	Low	56.9	Low	45 Å²	45	93.8 Å²	93.8	24%	0.241	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-91.6	-14.8	179.3	-60.5	-35.5	0	0	0	112.4	L457 E458 E459 R514	L457-D461 WeakPolarHBondContact CA-OD2 3.31Å; L457-D461 HydrophobicContact CB-CB 4.38Å; L457-D461 HydrophobicContact CD2-CB 3.95Å; E458-D461 PolarHBondContact N-OD2 2.84Å; E458-D461 WeakPolarHBondContact O-CB 3.48Å; E458-D461 PolarHBondContact O-N 2.67Å; E459-D461 VanDerWaalsContact C-N 3.26Å; E459-D461 PolarHBondContact O-N 2.79Å; D461-R514 IonicContact OD1-CZ 3.11Å; D461-R514 IonicContact OD1-NH1 2.65Å; D461-R514 PolarHBondContact OD1-NH1 2.68Å; D461-R514 IonicContact OD1-NH2 2.75Å; D461-R514 PolarHBondContact OD1-NH2 2.94Å; D461-R514 IonicContact OD2-NH2 3.74Å
462	F	59.5	Low	59.2	Low	124 Å²	124	88.4 Å²	88.4	54%	0.544	47%	0.468	S	S	.	.	S	Bend	trans	-83.6	141.4	176.4	-62.9	-86.7	0	0	0	110.5	L457 E458 M464	L457-F462 HydrophobicContact CB-CE2 4.46Å; L457-F462 HydrophobicContact CB-CZ 4.47Å; E458-F462 WeakPolarHBondContact O-CD2 3.39Å; F462-M464 PolarHBondContact O-N 2.82Å
463	P	53.3	Low	61.8	Low	89 Å²	89	83.5 Å²	83.5	58%	0.578	45%	0.447	S	S	*	.			trans	-59.8	133.1	171.8	24.8	-31.7	0	0	0	109.7	S465 E468	P463-S465 PolarHBondContact O-N 2.9Å; P463-E468 WeakPolarHBondContact CA-OE2 3.46Å; P463-E468 HydrophobicContact CB-CB 4.18Å
464	M	53.5	Low	63.9	Low	159 Å²	159	78.9 Å²	78.9	78%	0.783	42%	0.422	S	S	*	.	S	Bend	trans	-72	-17.6	-178	-63.8	-67.1	-65.6	0	0	112	F462 E468	F462-M464 PolarHBondContact O-N 2.82Å; M464-E468 PolarHBondContact N-OE2 3.47Å
465	S	51.7	Low	65.9	Low	57 Å²	57	75.2 Å²	75.2	40%	0.399	40%	0.4	S	S	.	.	S	Bend	trans	-153.1	159.7	171.8	71.5	0	0	0	0	112.5	P463 D467 E468	P463-S465 PolarHBondContact O-N 2.9Å; S465-D467 PolarHBondContact O-N 2.88Å; S465-D467 VanDerWaalsContact O-N 3.15Å; S465-E468 PolarHBondContact O-N 2.76Å; S465-E468 VanDerWaalsContact O-N 3.11Å
466	E	50.3	Low	68.3	Low	190 Å²	190	72.2 Å²	72.2	89%	0.888	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.5	175.3	-63.3	178.8	167.9	0	0	113.3
467	D	53.6	Low	70.2	Confident	110 Å²	110	66.6 Å²	66.6	59%	0.588	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-13.7	178.1	-74	-37.1	0	0	0	113.9	S465 T469	S465-D467 PolarHBondContact O-N 2.88Å; S465-D467 VanDerWaalsContact O-N 3.15Å; D467-T469 PolarHBondContact O-N 3.41Å
468	E	58.5	Low	72.2	Confident	88 Å²	88	65 Å²	65	41%	0.411	33%	0.332	S	S	.	.			trans	-67.9	93.9	177.1	-77.8	-170.5	162.6	0	0	109.8	P463 M464 S465	P463-E468 WeakPolarHBondContact CA-OE2 3.46Å; P463-E468 HydrophobicContact CB-CB 4.18Å; M464-E468 PolarHBondContact N-OE2 3.47Å; S465-E468 PolarHBondContact O-N 2.76Å; S465-E468 VanDerWaalsContact O-N 3.11Å
469	T	67	Low	73.8	Confident	35 Å²	35	67.6 Å²	67.6	22%	0.215	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-78.6	135.7	171.9	40.9	0	0	0	0	110.8	E253 K254 D467 L471	E253-T469 PolarHBondContact O-OG1 2.85Å; K254-T469 PolarHBondContact NZ-OG1 2.82Å; D467-T469 PolarHBondContact O-N 3.41Å; T469-L471 PolarHBondContact O-N 3.16Å
470	D	81.9	Confident	75.5	Confident	83 Å²	83	62.8 Å²	62.8	44%	0.444	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-46.7	138.2	171.1	-66.1	-38.2	0	0	0	111.9	L472 S490	D470-L472 PolarHBondContact O-N 2.91Å; D470-S490 WeakPolarHBondContact OD1-CA 3.47Å; D470-S490 VanDerWaalsContact OD2-CB 3.3Å; D470-S490 WeakPolarHBondContact OD2-CB 3.47Å; D470-S490 PolarHBondContact OD2-OG 3.12Å
471	L	91.6	Very high	77.2	Confident	23 Å²	23	61.7 Å²	61.7	12%	0.12	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-62.8	135.3	173.9	-68	174.4	0	0	0	110.1	E237 E253 T469 L489 W494	E237-L471 HydrophobicContact CG-CD1 4.48Å; E237-L471 HydrophobicContact CG-CD2 3.89Å; E253-L471 HydrophobicContact CG-CD2 3.86Å; T469-L471 PolarHBondContact O-N 3.16Å; L471-L489 HydrophobicContact CB-CB 4.03Å; L471-L489 HydrophobicContact CB-CD1 4.08Å; L471-L489 HydrophobicContact CB-CG 4.39Å; L471-L489 WeakPolarHBondContact O-CB 3.3Å; L471-L489 PolarHBondContact O-N 2.83Å; L471-W494 HydrophobicContact CD1-CB 3.65Å
472	L	94.3	Very high	79	Confident	9 Å²	9	66.2 Å²	66.2	5%	0.047	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.3	177.1	178.1	64.8	0	0	0	109.1	C251 S252 K255 D470 Q474 Q486 Y488	C251-L472 WeakPolarHBondContact CA-O 3.34Å; S252-L472 PolarHBondContact N-O 3.49Å; S252-L472 PolarHBondContact O-N 2.87Å; K255-L472 HydrophobicContact CB-CD2 3.86Å; K255-L472 HydrophobicContact CG-CD2 4.02Å; D470-L472 PolarHBondContact O-N 2.91Å; L472-Q474 HydrophobicContact CD2-CG 3.82Å; L472-Q474 HydrophobicContact CG-CG 3.7Å; L472-Q486 HydrophobicContact CD1-CB 4.13Å; L472-Y488 HydrophobicContact CD1-CD1 3.79Å; L472-Y488 HydrophobicContact CD1-CD2 4.37Å; L472-Y488 HydrophobicContact CD1-CE1 3.7Å; L472-Y488 HydrophobicContact CD1-CE2 4.28Å; L472-Y488 HydrophobicContact CD1-CG 4.14Å
473	L	96.6	Very high	80.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.8	170	-176	64.7	0	0	0	109.4	L5 I250 C251 Q486 A487 L489 F511 W538	L5-L473 HydrophobicContact CD1-CD2 4.22Å; I250-L473 CarbonylContact O-C 3.53Å; I250-L473 WeakPolarHBondContact O-CA 3.41Å; C251-L473 HydrophobicContact CB-CD1 3.89Å; L473-Q486 CarbonylContact O-C 3.46Å; L473-Q486 WeakPolarHBondContact O-CA 3.35Å; L473-A487 HydrophobicContact CB-CB 4.34Å; L473-A487 PolarHBondContact N-O 3.06Å; L473-A487 PolarHBondContact O-N 3.33Å; L473-L489 HydrophobicContact CB-CD1 4.38Å; L473-L489 HydrophobicContact CB-CD2 4.49Å; L473-L489 HydrophobicContact CB-CG 4.44Å; L473-F511 HydrophobicContact CD1-CE1 4.27Å; L473-F511 HydrophobicContact CD1-CZ 4.19Å; L473-F511 HydrophobicContact CD2-CE1 4.16Å; L473-F511 HydrophobicContact CD2-CE2 4.24Å; L473-F511 HydrophobicContact CD2-CZ 3.48Å; L473-F511 VanDerWaalsContact CD2-CZ 3.48Å; L473-F511 HydrophobicContact CG-CZ 4.49Å; L473-W538 HydrophobicContact CD1-CZ2 4.33Å; L473-W538 HydrophobicContact CD2-CD2 3.56Å; L473-W538 HydrophobicContact CD2-CE3 4.09Å; L473-W538 HydrophobicContact CD2-CG 3.96Å; L473-W538 HydrophobicContact CD2-CH2 4.15Å; L473-W538 HydrophobicContact CD2-CZ2 3.66Å; L473-W538 HydrophobicContact CD2-CZ3 4.35Å; L473-W538 HydrophobicContact CG-CD2 4.38Å; L473-W538 HydrophobicContact CG-CH2 4.08Å; L473-W538 HydrophobicContact CG-CZ2 3.52Å
474	Q	96.4	Very high	82.4	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.8	-175.4	-55.5	-177.1	-119.4	0	0	110.1	H249 I250 F256 L472 F476 R483	H249-Q474 CarbonylContact C-O 3.57Å; H249-Q474 VanDerWaalsContact CA-O 3.3Å; H249-Q474 WeakPolarHBondContact CA-O 3.28Å; I250-Q474 PolarHBondContact N-O 2.86Å; I250-Q474 PolarHBondContact O-N 2.75Å; F256-Q474 PolarHBondContact O-NE2 2.84Å; L472-Q474 HydrophobicContact CD2-CG 3.82Å; L472-Q474 HydrophobicContact CG-CG 3.7Å; Q474-F476 HydrophobicContact CB-CD2 4.21Å; Q474-F476 HydrophobicContact CB-CE2 3.65Å; Q474-F476 HydrophobicContact CB-CZ 4.46Å; Q474-F476 HydrophobicContact CG-CE2 4.41Å; Q474-R483 HydrophobicContact CB-CG 4.47Å
475	R	96.1	Very high	84.3	Confident	1 Å²	1	55 Å²	55	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.4	166.7	-177.3	-175	-178.6	-97.4	-2.1	110	E242 A247 R483 T484 H485 W538	E242-R475 IonicContact OE1-CZ 3.9Å; E242-R475 VanDerWaalsContact OE1-CZ 3.22Å; E242-R475 IonicContact OE1-NE 3.32Å; E242-R475 PolarHBondContact OE1-NE 3.18Å; E242-R475 IonicContact OE1-NH2 3.51Å; E242-R475 PolarHBondContact OE1-NH2 2.57Å; E242-R475 IonicContact OE2-NH2 3.33Å; E242-R475 PolarHBondContact OE2-NH2 3.21Å; A247-R475 HydrophobicContact CB-CG 4Å; R475-R483 CarbonylContact O-C 3.54Å; R475-R483 VanDerWaalsContact O-CA 3.29Å; R475-R483 WeakPolarHBondContact O-CA 2.94Å; R475-T484 WeakPolarHBondContact CD-OG1 3.27Å; R475-T484 PolarHBondContact NH1-OG1 3.22Å; R475-T484 VanDerWaalsContact NH1-OG1 3.12Å; R475-T484 PolarHBondContact O-N 3.29Å; R475-T484 PolarHBondContact O-OG1 2.81Å; R475-H485 HydrophobicContact CB-CB 4.05Å; R475-H485 PolarHBondContact N-O 3.09Å; R475-W538 HydrophobicContact CB-CZ2 4.18Å
476	F	96.6	Very high	86.3	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.035	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.6	175.2	-70.8	-89.4	0	0	0	110.4	F230 A247 L248 I250 F256 Q474 L481 R483	F230-F476 HydrophobicContact CD1-CD1 4.26Å; F230-F476 HydrophobicContact CD1-CE1 4.26Å; F230-F476 HydrophobicContact CD1-CG 4.44Å; F230-F476 HydrophobicContact CD1-CZ 4.46Å; F230-F476 HydrophobicContact CE1-CB 4.04Å; F230-F476 AromaticContact CE1-CD1 3.66Å; F230-F476 HydrophobicContact CE1-CD1 3.66Å; F230-F476 HydrophobicContact CE1-CD2 4.3Å; F230-F476 HydrophobicContact CE1-CE1 4.11Å; F230-F476 AromaticContact CE1-CG 3.74Å; F230-F476 HydrophobicContact CE1-CG 3.74Å; F230-F476 HydrophobicContact CZ-CB 4.3Å; F230-F476 HydrophobicContact CZ-CG 4.44Å; A247-F476 CarbonylContact C-O 3.55Å; A247-F476 WeakPolarHBondContact CA-O 3.49Å; A247-F476 WeakPolarHBondContact CB-O 3.43Å; L248-F476 PolarHBondContact N-O 3.49Å; L248-F476 PolarHBondContact O-N 3.21Å; I250-F476 HydrophobicContact CD1-CD2 3.83Å; I250-F476 HydrophobicContact CD1-CE2 3.83Å; I250-F476 HydrophobicContact CG1-CD2 4.38Å; F256-F476 HydrophobicContact CB-CE2 4.42Å; F256-F476 HydrophobicContact CB-CZ 4.43Å; F256-F476 WeakPolarHBondContact O-CZ 3.41Å; Q474-F476 HydrophobicContact CB-CD2 4.21Å; Q474-F476 HydrophobicContact CB-CE2 3.65Å; Q474-F476 HydrophobicContact CB-CZ 4.46Å; Q474-F476 HydrophobicContact CG-CE2 4.41Å; F476-L481 WeakPolarHBondContact CD1-O 3.37Å; F476-R483 HydrophobicContact CD1-CB 4.23Å; F476-R483 HydrophobicContact CE1-CB 3.93Å; F476-R483 HydrophobicContact CZ-CB 4.33Å
477	D	94.5	Very high	88.3	Confident	30 Å²	30	43.8 Å²	43.8	16%	0.16	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	135.1	174.9	172.6	-98.8	0	0	0	111	E479 T480 L481 K482 T484	D477-E479 PolarHBondContact O-N 2.96Å; D477-E479 PolarHBondContact OD1-N 3.23Å; D477-T480 WeakPolarHBondContact CB-OG1 3.18Å; D477-T480 WeakPolarHBondContact OD1-CB 3.18Å; D477-T480 WeakPolarHBondContact OD1-CG2 3.35Å; D477-T480 PolarHBondContact OD1-N 3.45Å; D477-T480 PolarHBondContact OD1-OG1 3.46Å; D477-L481 WeakPolarHBondContact O-CA 3.02Å; D477-L481 PolarHBondContact O-N 2.7Å; D477-K482 PolarHBondContact N-O 2.87Å; D477-K482 VanDerWaalsContact N-O 3.1Å; D477-T484 HydrophobicContact CB-CG2 3.75Å
478	H	94.3	Very high	90.1	Very high	35 Å²	35	43.8 Å²	43.8	16%	0.162	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-41	-175.5	178.2	65.2	0	0	0	112.5	W210 R226 Q228 C245 S246	W210-H478 AromaticContact CD2-ND1 3.84Å; W210-H478 AromaticContact CE2-CE1 3.76Å; W210-H478 AromaticContact CE2-ND1 3.37Å; W210-H478 AromaticContact CE3-ND1 3.89Å; W210-H478 HydrophobicContact CH2-CB 3.55Å; W210-H478 AromaticContact CH2-CG 3.61Å; W210-H478 AromaticContact CH2-ND1 3.15Å; W210-H478 WeakPolarHBondContact CH2-ND1 3.33Å; W210-H478 HydrophobicContact CZ2-CB 4.19Å; W210-H478 AromaticContact CZ2-CE1 3.69Å; W210-H478 AromaticContact CZ2-CG 3.75Å; W210-H478 AromaticContact CZ2-ND1 3.02Å; W210-H478 WeakPolarHBondContact CZ2-ND1 3.49Å; W210-H478 HydrophobicContact CZ3-CB 4.02Å; W210-H478 AromaticContact CZ3-ND1 3.56Å; R226-H478 VanDerWaalsContact CZ-O 3.28Å; R226-H478 PolarHBondContact NH1-CD2 2.86Å; R226-H478 PolarHBondContact NH1-NE2 2.89Å; R226-H478 PolarHBondContact NH1-O 2.85Å; R226-H478 PolarHBondContact NH2-O 3.34Å; Q228-H478 PolarHBondContact NE2-O 2.58Å; Q228-H478 PolarHBondContact OE1-CE1 2.93Å; Q228-H478 PolarHBondContact OE1-ND1 2.91Å; C245-H478 WeakPolarHBondContact O-CB 3.35Å; S246-H478 WeakPolarHBondContact O-CB 3.38Å; S246-H478 PolarHBondContact O-N 3.02Å
479	E	92.5	Very high	91.6	Very high	145 Å²	145	39.8 Å²	39.8	68%	0.678	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-46.3	-175.1	-65.7	-170.8	168.5	0	0	111.8	R226 D477	R226-E479 PolarHBondContact NH2-O 3.49Å; D477-E479 PolarHBondContact O-N 2.96Å; D477-E479 PolarHBondContact OD1-N 3.23Å
480	T	91.2	Very high	92.3	Very high	57 Å²	57	40.9 Å²	40.9	35%	0.35	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-16.3	-171	63.7	0	0	0	0	113.9	D477 K482	D477-T480 WeakPolarHBondContact CB-OG1 3.18Å; D477-T480 WeakPolarHBondContact OD1-CB 3.18Å; D477-T480 WeakPolarHBondContact OD1-CG2 3.35Å; D477-T480 PolarHBondContact OD1-N 3.45Å; D477-T480 PolarHBondContact OD1-OG1 3.46Å; T480-K482 PolarHBondContact O-N 2.8Å; T480-K482 PolarHBondContact OG1-N 3.24Å
481	L	93.1	Very high	92.2	Very high	8 Å²	8	40 Å²	40	4%	0.042	21%	0.21	C	C	.	.			trans	51.2	17	-166.4	-66.6	-170.6	0	0	0	114.4	Q228 F230 A258 D261 V267 F476 D477	Q228-L481 HydrophobicContact CB-CD1 3.89Å; Q228-L481 HydrophobicContact CB-CD2 4.35Å; Q228-L481 HydrophobicContact CG-CD1 3.95Å; Q228-L481 HydrophobicContact CG-CD2 4.32Å; Q228-L481 HydrophobicContact CG-CG 4.49Å; Q228-L481 VanDerWaalsContact NE2-CG 3.27Å; F230-L481 HydrophobicContact CE1-CD2 4.03Å; F230-L481 HydrophobicContact CE2-CD2 4.46Å; F230-L481 HydrophobicContact CZ-CD2 3.52Å; A258-L481 HydrophobicContact CB-CB 3.95Å; A258-L481 HydrophobicContact CB-CD1 4.12Å; D261-L481 HydrophobicContact CB-CD1 3.78Å; D261-L481 WeakPolarHBondContact OD2-CD1 3.32Å; V267-L481 HydrophobicContact CG1-CD1 4.19Å; V267-L481 HydrophobicContact CG2-CB 4.32Å; V267-L481 HydrophobicContact CG2-CD1 4.19Å; F476-L481 WeakPolarHBondContact CD1-O 3.37Å; D477-L481 WeakPolarHBondContact O-CA 3.02Å; D477-L481 PolarHBondContact O-N 2.7Å
482	K	92.1	Very high	92	Very high	140 Å²	140	40.9 Å²	40.9	61%	0.609	21%	0.214	S	C	*	.			trans	-80.1	140.3	174.8	-68.9	-178.7	-178.9	178.1	0	108.6	D477 T480 T484	D477-K482 PolarHBondContact N-O 2.87Å; D477-K482 VanDerWaalsContact N-O 3.1Å; T480-K482 PolarHBondContact O-N 2.8Å; T480-K482 PolarHBondContact OG1-N 3.24Å; K482-T484 PolarHBondContact O-N 2.87Å; K482-T484 VanDerWaalsContact O-N 3.12Å
483	R	92.3	Very high	91.7	Very high	83 Å²	83	43.9 Å²	43.9	31%	0.313	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	105.6	169.4	-178.4	-179.7	62.3	178.5	5.4	109.2	K255 Q474 R475 F476 H485	K255-R483 VanDerWaalsContact CD-NH1 3.31Å; Q474-R483 HydrophobicContact CB-CG 4.47Å; R475-R483 CarbonylContact O-C 3.54Å; R475-R483 VanDerWaalsContact O-CA 3.29Å; R475-R483 WeakPolarHBondContact O-CA 2.94Å; F476-R483 HydrophobicContact CD1-CB 4.23Å; F476-R483 HydrophobicContact CE1-CB 3.93Å; F476-R483 HydrophobicContact CZ-CB 4.33Å; R483-H485 WeakPolarHBondContact CG-O 3.5Å
484	T	92	Very high	91.5	Very high	37 Å²	37	46.4 Å²	46.4	23%	0.227	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-41.2	-178	54.3	0	0	0	0	111.4	M1 R475 D477 K482	M1-T484 WeakPolarHBondContact CB-O 3.31Å; M1-T484 PolarHBondContact N-O 2.84Å; R475-T484 WeakPolarHBondContact CD-OG1 3.27Å; R475-T484 PolarHBondContact NH1-OG1 3.22Å; R475-T484 VanDerWaalsContact NH1-OG1 3.12Å; R475-T484 PolarHBondContact O-N 3.29Å; R475-T484 PolarHBondContact O-OG1 2.81Å; D477-T484 HydrophobicContact CB-CG2 3.75Å; K482-T484 PolarHBondContact O-N 2.87Å; K482-T484 VanDerWaalsContact O-N 3.12Å
485	H	93.2	Very high	91.5	Very high	17 Å²	17	47.1 Å²	47.1	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.7	-178.1	-55.7	76.2	0	0	0	110.9	M1 V3 R475 R483 V537 W538	M1-H485 CarbonylContact O-C 3.51Å; M1-H485 WeakPolarHBondContact O-CA 3.46Å; V3-H485 HydrophobicContact CG2-CB 4.18Å; R475-H485 HydrophobicContact CB-CB 4.05Å; R475-H485 PolarHBondContact N-O 3.09Å; R483-H485 WeakPolarHBondContact CG-O 3.5Å; H485-V537 HydrophobicContact CB-CG2 4.17Å; H485-W538 HydrophobicContact CB-CH2 3.67Å; H485-W538 HydrophobicContact CB-CZ3 4Å
486	Q	94.2	Very high	91.5	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	146.3	168.3	65.9	173.3	14.2	0	0	111.5	M1 N2 V3 L472 L473 Y488	M1-Q486 PolarHBondContact O-N 3.46Å; N2-Q486 CarbonylContact C-O 3.49Å; N2-Q486 WeakPolarHBondContact CA-O 3.49Å; N2-Q486 WeakPolarHBondContact OD1-CG 3.36Å; N2-Q486 PolarHBondContact OD1-NE2 2.78Å; V3-Q486 PolarHBondContact N-O 3.19Å; L472-Q486 HydrophobicContact CD1-CB 4.13Å; L473-Q486 CarbonylContact O-C 3.46Å; L473-Q486 WeakPolarHBondContact O-CA 3.35Å; Q486-Y488 PolarHBondContact NE2-OH 2.88Å
487	A	92.4	Very high	91.5	Very high	2 Å²	2	51.4 Å²	51.4	2%	0.017	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.9	172.7	0	0	0	0	0	109.3	V3 L5 L473 W538	V3-A487 WeakPolarHBondContact O-CA 3.48Å; V3-A487 WeakPolarHBondContact O-CB 3.46Å; L5-A487 HydrophobicContact CD2-CB 4.47Å; L5-A487 HydrophobicContact CG-CB 4.1Å; L473-A487 HydrophobicContact CB-CB 4.34Å; L473-A487 PolarHBondContact N-O 3.06Å; L473-A487 PolarHBondContact O-N 3.33Å; A487-W538 HydrophobicContact CB-CZ3 4.08Å
488	Y	91.7	Very high	91.6	Very high	110 Å²	110	50.1 Å²	50.1	43%	0.431	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.3	173.5	-65.5	-90.6	0	0	0	108.2	L472 Q486 S490	L472-Y488 HydrophobicContact CD1-CD1 3.79Å; L472-Y488 HydrophobicContact CD1-CD2 4.37Å; L472-Y488 HydrophobicContact CD1-CE1 3.7Å; L472-Y488 HydrophobicContact CD1-CE2 4.28Å; L472-Y488 HydrophobicContact CD1-CG 4.14Å; Q486-Y488 PolarHBondContact NE2-OH 2.88Å; Y488-S490 VanDerWaalsContact C-N 3.34Å
489	L	89.7	Confident	91.7	Very high	4 Å²	4	50 Å²	50	2%	0.021	25%	0.25	C	S	.	.			trans	-101.3	36.7	-175.4	-53.6	-174.4	0	0	0	111.2	L5 C251 L471 L473 G491 H492 I513	L5-L489 HydrophobicContact CD1-CD2 3.5Å; L5-L489 HydrophobicContact CG-CD2 4.44Å; C251-L489 VanDerWaalsContact SG-CD1 3.56Å; L471-L489 HydrophobicContact CB-CB 4.03Å; L471-L489 HydrophobicContact CB-CD1 4.08Å; L471-L489 HydrophobicContact CB-CG 4.39Å; L471-L489 WeakPolarHBondContact O-CB 3.3Å; L471-L489 PolarHBondContact O-N 2.83Å; L473-L489 HydrophobicContact CB-CD1 4.38Å; L473-L489 HydrophobicContact CB-CD2 4.49Å; L473-L489 HydrophobicContact CB-CG 4.44Å; L489-G491 PolarHBondContact O-N 3.27Å; L489-H492 HydrophobicContact CB-CB 4.15Å; L489-H492 WeakPolarHBondContact O-CA 3.13Å; L489-H492 PolarHBondContact O-N 2.98Å; L489-I513 HydrophobicContact CD1-CG2 4.3Å; L489-I513 HydrophobicContact CD2-CD1 4.14Å
490	S	81.3	Confident	91.8	Very high	59 Å²	59	43.1 Å²	43.1	41%	0.413	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	124	178.4	-48	0	0	0	0	110.3	D470 Y488 H492	D470-S490 WeakPolarHBondContact OD1-CA 3.47Å; D470-S490 VanDerWaalsContact OD2-CB 3.3Å; D470-S490 WeakPolarHBondContact OD2-CB 3.47Å; D470-S490 PolarHBondContact OD2-OG 3.12Å; Y488-S490 VanDerWaalsContact C-N 3.34Å; S490-H492 PolarHBondContact O-N 2.88Å
491	G	80.4	Confident	91.9	Very high	65 Å²	65	41.4 Å²	41.4	67%	0.67	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	-6.3	-174.6	0	0	0	0	0	115.5	L489	L489-G491 PolarHBondContact O-N 3.27Å
492	H	86.5	Confident	91.5	Very high	41 Å²	41	43.7 Å²	43.7	19%	0.19	22%	0.224	C	C	.	.			trans	-104	88.1	179.6	-58.7	-53.4	0	0	0	111.1	L489 S490 I513 R514 H515	L489-H492 HydrophobicContact CB-CB 4.15Å; L489-H492 WeakPolarHBondContact O-CA 3.13Å; L489-H492 PolarHBondContact O-N 2.98Å; S490-H492 PolarHBondContact O-N 2.88Å; H492-I513 HydrophobicContact CB-CB 4.48Å; H492-I513 HydrophobicContact CB-CD1 4.02Å; H492-I513 HydrophobicContact CB-CG1 4.42Å; H492-R514 VanDerWaalsContact CA-O 3.26Å; H492-R514 WeakPolarHBondContact CA-O 3.49Å; H492-R514 VanDerWaalsContact CB-O 3.29Å; H492-R514 WeakPolarHBondContact CB-O 3.4Å; H492-R514 PolarHBondContact ND1-O 3.15Å; H492-H515 AromaticContact CE1-CD2 3.27Å; H492-H515 PolarHBondContact CE1-CD2 3.42Å; H492-H515 AromaticContact CE1-CG 3.76Å; H492-H515 AromaticContact CE1-NE2 3.57Å; H492-H515 AromaticContact ND1-CD2 3.82Å; H492-H515 AromaticContact NE2-CD2 3.97Å
493	Q	89	Confident	91	Very high	71 Å²	71	38.1 Å²	38.1	33%	0.332	20%	0.199	S	C	.	.			trans	-61.3	141.2	-178.4	-68.5	172.4	-17.6	0	0	112.1	V460 L495 I513 R514	V460-Q493 PolarHBondContact O-NE2 2.97Å; Q493-L495 PolarHBondContact O-N 2.92Å; Q493-I513 CarbonylContact O-C 3.57Å; Q493-I513 VanDerWaalsContact O-CA 3.29Å; Q493-I513 WeakPolarHBondContact O-CA 3.26Å; Q493-R514 HydrophobicContact CB-CB 4.13Å; Q493-R514 PolarHBondContact O-N 2.98Å
494	W	92.9	Very high	90.3	Very high	53 Å²	53	39.8 Å²	39.8	20%	0.201	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	129.9	170.4	178	-98.5	0	0	0	110.7	E237 F238 L471 K497 F511 I513	E237-W494 HydrophobicContact CB-CD2 3.78Å; E237-W494 HydrophobicContact CB-CE3 4.06Å; E237-W494 HydrophobicContact CB-CG 4.08Å; E237-W494 HydrophobicContact CB-CZ2 4.42Å; E237-W494 HydrophobicContact CG-CD2 4.49Å; E237-W494 HydrophobicContact CG-CG 4.29Å; E237-W494 VanDerWaalsContact O-CZ2 3.3Å; E237-W494 WeakPolarHBondContact O-CZ2 3.44Å; F238-W494 HydrophobicContact CB-CH2 3.46Å; F238-W494 VanDerWaalsContact CB-CH2 3.46Å; F238-W494 HydrophobicContact CB-CZ2 4.34Å; F238-W494 HydrophobicContact CB-CZ3 3.68Å; F238-W494 AromaticContact CD2-CH2 3.71Å; F238-W494 HydrophobicContact CD2-CH2 3.71Å; F238-W494 HydrophobicContact CD2-CZ3 4.46Å; F238-W494 AromaticContact CG-CH2 3.88Å; F238-W494 HydrophobicContact CG-CH2 3.88Å; F238-W494 HydrophobicContact CG-CZ3 4.25Å; L471-W494 HydrophobicContact CD1-CB 3.65Å; W494-K497 HydrophobicContact CH2-CB 4.13Å; W494-K497 HydrophobicContact CZ2-CB 3.92Å; W494-F511 HydrophobicContact CH2-CB 3.48Å; W494-F511 VanDerWaalsContact CH2-CB 3.48Å; W494-F511 HydrophobicContact CH2-CG 4.41Å; W494-F511 HydrophobicContact CZ3-CB 3.54Å; W494-F511 HydrophobicContact CZ3-CD2 4.04Å; W494-F511 HydrophobicContact CZ3-CG 4.03Å; W494-I513 HydrophobicContact CE3-CG2 4.42Å
495	L	95.4	Very high	89.8	Confident	15 Å²	15	40.6 Å²	40.6	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-60.9	174.9	-55.8	177	0	0	0	110.6	Q493 C512 R514 F547 L551	Q493-L495 PolarHBondContact O-N 2.92Å; L495-C512 HydrophobicContact CB-CB 4.28Å; L495-C512 WeakPolarHBondContact CB-O 3.46Å; L495-C512 PolarHBondContact N-O 3.35Å; L495-R514 HydrophobicContact CD1-CB 4.35Å; L495-R514 HydrophobicContact CD2-CB 4.17Å; L495-R514 HydrophobicContact CG-CB 4.37Å; L495-F547 HydrophobicContact CD1-CD1 4.13Å; L495-F547 HydrophobicContact CD1-CE1 4.47Å; L495-L551 HydrophobicContact CB-CD2 4.09Å; L495-L551 HydrophobicContact CD2-CB 4.4Å; L495-L551 HydrophobicContact CD2-CD2 3.55Å; L495-L551 HydrophobicContact CD2-CG 4.5Å; L495-L551 HydrophobicContact CG-CD2 4.39Å
496	F	96.5	Very high	89.6	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	168.4	178.1	65.7	-69.1	0	0	0	113.1	I498 C512 L544 F547 V560 L571 V574	F496-I498 HydrophobicContact CD2-CG1 3.81Å; F496-I498 HydrophobicContact CE2-CD1 3.95Å; F496-I498 HydrophobicContact CE2-CG1 3.31Å; F496-I498 HydrophobicContact CZ-CD1 4.03Å; F496-I498 HydrophobicContact CZ-CG1 3.92Å; F496-C512 HydrophobicContact CD1-CB 3.67Å; F496-C512 HydrophobicContact CE1-CB 3.51Å; F496-C512 HydrophobicContact CG-CB 4.4Å; F496-C512 HydrophobicContact CZ-CB 4.13Å; F496-C512 PolarHBondContact N-O 3.13Å; F496-C512 PolarHBondContact O-N 2.89Å; F496-L544 HydrophobicContact CE1-CD1 3.73Å; F496-L544 HydrophobicContact CZ-CD1 3.83Å; F496-F547 HydrophobicContact CD1-CE1 4.37Å; F496-F547 HydrophobicContact CE1-CE1 4Å; F496-V560 HydrophobicContact CB-CB 3.9Å; F496-V560 HydrophobicContact CB-CG1 3.94Å; F496-V560 HydrophobicContact CD1-CB 4.36Å; F496-V560 HydrophobicContact CD1-CG1 3.47Å; F496-V560 VanDerWaalsContact CD1-CG1 3.47Å; F496-V560 HydrophobicContact CD2-CG1 4.14Å; F496-V560 HydrophobicContact CE1-CG1 3.96Å; F496-V560 HydrophobicContact CG-CB 4.12Å; F496-V560 HydrophobicContact CG-CG1 3.6Å; F496-V560 HydrophobicContact CZ-CG1 4.48Å; F496-L571 HydrophobicContact CZ-CD1 4.39Å; F496-V574 HydrophobicContact CE1-CG2 4.01Å; F496-V574 HydrophobicContact CE2-CG2 4.42Å; F496-V574 HydrophobicContact CZ-CG2 3.82Å
497	K	96.2	Very high	89.6	Confident	92 Å²	92	39.7 Å²	39.7	40%	0.4	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	150.4	170.9	65.8	-179.8	-177.4	177.7	0	111.7	F238 W494	F238-K497 HydrophobicContact CD2-CB 4.09Å; F238-K497 HydrophobicContact CE2-CB 4.36Å; W494-K497 HydrophobicContact CH2-CB 4.13Å; W494-K497 HydrophobicContact CZ2-CB 3.92Å
498	I	97.1	Very high	89.8	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.7	-176.3	-58.8	148	0	0	0	108.5	F496 H509 A510 C512 V521 L565 L571	F496-I498 HydrophobicContact CD2-CG1 3.81Å; F496-I498 HydrophobicContact CE2-CD1 3.95Å; F496-I498 HydrophobicContact CE2-CG1 3.31Å; F496-I498 HydrophobicContact CZ-CD1 4.03Å; F496-I498 HydrophobicContact CZ-CG1 3.92Å; I498-H509 CarbonylContact O-C 3.54Å; I498-H509 WeakPolarHBondContact O-CA 3.37Å; I498-H509 WeakPolarHBondContact O-CB 3.27Å; I498-A510 HydrophobicContact CB-CB 4.25Å; I498-A510 PolarHBondContact N-O 3.07Å; I498-A510 PolarHBondContact O-N 3.08Å; I498-C512 HydrophobicContact CD1-CB 4.13Å; I498-V521 HydrophobicContact CD1-CB 4.28Å; I498-V521 HydrophobicContact CD1-CG1 3.49Å; I498-V521 VanDerWaalsContact CD1-CG1 3.49Å; I498-V521 HydrophobicContact CD1-CG2 3.82Å; I498-L565 HydrophobicContact CG2-CB 3.81Å; I498-L571 HydrophobicContact CD1-CD1 3.82Å; I498-L571 HydrophobicContact CG1-CD1 4.42Å; I498-L571 HydrophobicContact CG2-CD2 4.37Å
499	R	95.2	Very high	90	Very high	32 Å²	32	34.6 Å²	34.6	12%	0.121	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	138.3	172.7	-72.9	-67.6	-73.3	175.2	-2.7	110.3	P64 D166 H509 V564 L565	P64-R499 HydrophobicContact CB-CB 4.19Å; D166-R499 IonicContact OD1-NH1 3.9Å; D166-R499 PolarHBondContact OD1-NH1 2.86Å; R499-H509 WeakPolarHBondContact CD-CD2 3.1Å; R499-H509 WeakPolarHBondContact CD-NE2 3.38Å; R499-H509 PolarHBondContact NH1-CE1 2.92Å; R499-H509 PolarHBondContact NH1-ND1 3.16Å; R499-H509 PolarHBondContact NH1-NE2 3.45Å; R499-H509 VanDerWaalsContact NH1-NE2 3.12Å; R499-V564 HydrophobicContact CB-CG1 4.15Å; R499-V564 CarbonylContact O-C 3.53Å; R499-V564 VanDerWaalsContact O-CA 3.28Å; R499-V564 WeakPolarHBondContact O-CA 3.42Å; R499-V564 WeakPolarHBondContact O-CB 3.32Å; R499-L565 PolarHBondContact O-N 3.41Å
500	C	95.4	Very high	90.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-88.7	137	170.6	-57.8	0	0	0	0	109.7	T502 A507 T508 H509 A510	C500-T502 VanDerWaalsContact C-N 3.31Å; C500-T502 WeakPolarHBondContact CB-O 3.44Å; C500-A507 WeakPolarHBondContact CB-O 3.46Å; C500-A507 PolarHBondContact SG-O 3.34Å; C500-T508 PolarHBondContact N-O 3Å; C500-H509 VanDerWaalsContact SG-C 3.54Å; C500-A510 PolarHBondContact SG-N 2.9Å
501	A	92.4	Very high	91.1	Very high	20 Å²	20	31.6 Å²	31.6	17%	0.165	17%	0.17	C	C	.	.	S	Bend	trans	-71.5	-28.9	175.2	0	0	0	0	0	112.5	F65 V564 L565	F65-A501 WeakPolarHBondContact CD1-O 3.48Å; A501-V564 HydrophobicContact CB-CB 4.44Å; A501-V564 HydrophobicContact CB-CG2 3.85Å; A501-L565 PolarHBondContact N-O 2.89Å
502	T	85.9	Confident	92	Very high	56 Å²	56	28.5 Å²	28.5	34%	0.344	14%	0.138	S	C	.	.			trans	-129.9	137.4	177.4	51.5	0	0	0	0	108.7	C500 D567	C500-T502 VanDerWaalsContact C-N 3.31Å; C500-T502 WeakPolarHBondContact CB-O 3.44Å; T502-D567 PolarHBondContact OG1-OD2 3.45Å
503	W	81	Confident	92.4	Very high	24 Å²	24	26.6 Å²	26.6	9%	0.091	13%	0.129	C	C	.	.			trans	-132.3	46.4	-178	50.2	68.1	0	0	0	112.6	P64 F65 F118 L168 G243 N506 T508	P64-W503 HydrophobicContact CB-CZ3 4.13Å; P64-W503 HydrophobicContact CG-CH2 3.8Å; P64-W503 HydrophobicContact CG-CZ3 3.57Å; F65-W503 HydrophobicContact CD2-CH2 4.15Å; F65-W503 HydrophobicContact CE1-CD2 4.36Å; F65-W503 AromaticContact CE1-CE2 3.96Å; F65-W503 HydrophobicContact CE1-CE3 4.39Å; F65-W503 AromaticContact CE1-CH2 3.73Å; F65-W503 HydrophobicContact CE1-CH2 3.73Å; F65-W503 AromaticContact CE1-CZ2 3.75Å; F65-W503 HydrophobicContact CE1-CZ2 3.75Å; F65-W503 HydrophobicContact CE1-CZ3 4.05Å; F65-W503 AromaticContact CE2-CH2 3.2Å; F65-W503 HydrophobicContact CE2-CH2 3.2Å; F65-W503 AromaticContact CE2-CZ2 3.45Å; F65-W503 HydrophobicContact CE2-CZ2 3.45Å; F65-W503 VanDerWaalsContact CE2-CZ2 3.45Å; F65-W503 HydrophobicContact CE2-CZ3 4.13Å; F65-W503 HydrophobicContact CZ-CD2 4.3Å; F65-W503 AromaticContact CZ-CE2 3.51Å; F65-W503 HydrophobicContact CZ-CE3 4.4Å; F65-W503 AromaticContact CZ-CH2 3.04Å; F65-W503 HydrophobicContact CZ-CH2 3.04Å; F65-W503 AromaticContact CZ-CZ2 2.91Å; F65-W503 HydrophobicContact CZ-CZ2 2.91Å; F65-W503 AromaticContact CZ-CZ3 3.82Å; F65-W503 HydrophobicContact CZ-CZ3 3.82Å; F118-W503 WeakPolarHBondContact O-CH2 3.42Å; F118-W503 VanDerWaalsContact O-CZ2 3.29Å; F118-W503 WeakPolarHBondContact O-CZ2 3.26Å; L168-W503 HydrophobicContact CD2-CD2 4.07Å; L168-W503 VanDerWaalsContact CD2-CE2 3.43Å; L168-W503 HydrophobicContact CD2-CG 3.96Å; L168-W503 HydrophobicContact CD2-CZ2 3.93Å; G243-W503 CarbonylContact C-O 3.51Å; G243-W503 VanDerWaalsContact C-O 3.29Å; G243-W503 WeakPolarHBondContact CA-O 3.48Å; W503-N506 CarbonylContact C-O 3.52Å; W503-N506 WeakPolarHBondContact CA-O 3.16Å; W503-T508 HydrophobicContact CB-CG2 4.31Å; W503-T508 HydrophobicContact CD2-CG2 4.35Å; W503-T508 HydrophobicContact CG-CG2 4.3Å
504	K	77.1	Confident	92.6	Very high	117 Å²	117	24.2 Å²	24.2	51%	0.509	12%	0.117	S	C	.	.	S	Bend	trans	-155.6	116.5	153.2	-74.7	-169.4	-175.9	171.8	0	104.9	N170 G243	N170-K504 WeakPolarHBondContact OD1-CE 3.25Å; N170-K504 PolarHBondContact OD1-NZ 3.22Å; G243-K504 WeakPolarHBondContact O-CE 3.37Å; G243-K504 WeakPolarHBondContact O-CG 3.37Å
505	P	82.6	Confident	92.5	Very high	55 Å²	55	23.6 Å²	23.6	36%	0.357	12%	0.116	S	C	.	.	S	Bend	cis	-88.4	10.3	15.3	36.8	-38.3	0	0	0	116.3	C526 T529	P505-C526 WeakPolarHBondContact O-CB 3.47Å; P505-C526 PolarHBondContact O-N 2.86Å; P505-C526 PolarHBondContact O-SG 2.9Å; P505-T529 HydrophobicContact CB-CG2 3.19Å; P505-T529 HydrophobicContact CG-CG2 4.32Å
506	N	89.2	Confident	92.1	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.032	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-91.4	158	-173.4	-58.4	-27.6	0	0	0	112.3	G243 W503 L523 D567	G243-N506 WeakPolarHBondContact CA-O 3.42Å; G243-N506 PolarHBondContact N-O 3.03Å; G243-N506 VanDerWaalsContact N-O 3.13Å; W503-N506 CarbonylContact C-O 3.52Å; W503-N506 WeakPolarHBondContact CA-O 3.16Å; N506-L523 HydrophobicContact CB-CD1 4.13Å; N506-L523 HydrophobicContact CB-CD2 4.22Å; N506-L523 HydrophobicContact CB-CG 4.46Å; N506-D567 PolarHBondContact ND2-OD1 3.45Å
507	A	94	Very high	91.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.			trans	-65.2	162.9	163.4	0	0	0	0	0	112.5	F241 C500 H509 P524	F241-A507 VanDerWaalsContact O-CA 3.29Å; F241-A507 WeakPolarHBondContact O-CA 3.2Å; F241-A507 VanDerWaalsContact O-CB 3.25Å; F241-A507 WeakPolarHBondContact O-CB 3.02Å; C500-A507 WeakPolarHBondContact CB-O 3.46Å; C500-A507 PolarHBondContact SG-O 3.34Å; A507-H509 PolarHBondContact O-N 2.84Å; A507-P524 HydrophobicContact CB-CB 3.78Å; A507-P524 HydrophobicContact CB-CG 3.96Å; A507-P524 WeakPolarHBondContact CB-O 3.25Å; A507-P524 PolarHBondContact N-O 3.16Å
508	T	95.8	Very high	91.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-63	-25.5	177.2	58.2	0	0	0	0	113.4	D166 L168 F241 C500 W503	D166-T508 PolarHBondContact OD1-OG1 3.06Å; D166-T508 WeakPolarHBondContact OD2-CB 3.31Å; D166-T508 PolarHBondContact OD2-OG1 3.28Å; L168-T508 HydrophobicContact CD1-CG2 3.66Å; L168-T508 HydrophobicContact CD2-CG2 3.64Å; L168-T508 HydrophobicContact CG-CG2 3.71Å; F241-T508 HydrophobicContact CB-CG2 4.28Å; F241-T508 PolarHBondContact O-N 2.84Å; C500-T508 PolarHBondContact N-O 3Å; W503-T508 HydrophobicContact CB-CG2 4.31Å; W503-T508 HydrophobicContact CD2-CG2 4.35Å; W503-T508 HydrophobicContact CG-CG2 4.3Å
509	H	96.9	Very high	91.6	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.019	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.9	178.3	-58.1	83.8	0	0	0	111.7	D166 F238 A240 I498 R499 C500 A507 P524	D166-H509 IonicContact OD1-CE1 3.05Å; D166-H509 IonicContact OD1-ND1 3.02Å; D166-H509 IonicContact OD2-ND1 2.97Å; F238-H509 HydrophobicContact CE2-CB 3.59Å; F238-H509 HydrophobicContact CZ-CB 3.97Å; A240-H509 HydrophobicContact CB-CB 3.9Å; I498-H509 CarbonylContact O-C 3.54Å; I498-H509 WeakPolarHBondContact O-CA 3.37Å; I498-H509 WeakPolarHBondContact O-CB 3.27Å; R499-H509 WeakPolarHBondContact CD-CD2 3.1Å; R499-H509 WeakPolarHBondContact CD-NE2 3.38Å; R499-H509 PolarHBondContact NH1-CE1 2.92Å; R499-H509 PolarHBondContact NH1-ND1 3.16Å; R499-H509 PolarHBondContact NH1-NE2 3.45Å; R499-H509 VanDerWaalsContact NH1-NE2 3.12Å; C500-H509 VanDerWaalsContact SG-C 3.54Å; A507-H509 PolarHBondContact O-N 2.84Å; H509-P524 WeakPolarHBondContact O-CD 3.42Å
510	A	97.1	Very high	91.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	172.5	158.4	0	0	0	0	0	109.7	I498 C500 V521 W522 L523 L565	I498-A510 HydrophobicContact CB-CB 4.25Å; I498-A510 PolarHBondContact N-O 3.07Å; I498-A510 PolarHBondContact O-N 3.08Å; C500-A510 PolarHBondContact SG-N 2.9Å; A510-V521 HydrophobicContact CB-CG1 4.02Å; A510-W522 WeakPolarHBondContact CA-O 3.38Å; A510-W522 VanDerWaalsContact CB-O 3.3Å; A510-W522 WeakPolarHBondContact CB-O 3.46Å; A510-L523 HydrophobicContact CB-CD1 4Å; A510-L565 HydrophobicContact CB-CD2 3.76Å
511	F	97.5	Very high	91.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.8	174.3	61.9	-86.7	0	0	0	111	F238 L473 W494 I513 V521 W522 P524 W538	F238-F511 HydrophobicContact CD1-CD1 4.18Å; F238-F511 HydrophobicContact CD2-CB 4.02Å; F238-F511 AromaticContact CE1-CD1 3.81Å; F238-F511 HydrophobicContact CE1-CD1 3.81Å; F238-F511 HydrophobicContact CE1-CE1 4.38Å; F238-F511 HydrophobicContact CE2-CB 4.02Å; F238-F511 HydrophobicContact CE2-CD1 4.28Å; F238-F511 HydrophobicContact CG-CB 4.43Å; F238-F511 HydrophobicContact CZ-CB 4.45Å; F238-F511 AromaticContact CZ-CD1 3.86Å; F238-F511 HydrophobicContact CZ-CD1 3.86Å; L473-F511 HydrophobicContact CD1-CE1 4.27Å; L473-F511 HydrophobicContact CD1-CZ 4.19Å; L473-F511 HydrophobicContact CD2-CE1 4.16Å; L473-F511 HydrophobicContact CD2-CE2 4.24Å; L473-F511 HydrophobicContact CD2-CZ 3.48Å; L473-F511 VanDerWaalsContact CD2-CZ 3.48Å; L473-F511 HydrophobicContact CG-CZ 4.49Å; W494-F511 HydrophobicContact CH2-CB 3.48Å; W494-F511 VanDerWaalsContact CH2-CB 3.48Å; W494-F511 HydrophobicContact CH2-CG 4.41Å; W494-F511 HydrophobicContact CZ3-CB 3.54Å; W494-F511 HydrophobicContact CZ3-CD2 4.04Å; W494-F511 HydrophobicContact CZ3-CG 4.03Å; F511-I513 HydrophobicContact CD2-CG2 3.85Å; F511-I513 HydrophobicContact CE2-CG2 4.06Å; F511-V521 CarbonylContact O-C 3.12Å; F511-V521 WeakPolarHBondContact O-CA 3.34Å; F511-W522 HydrophobicContact CD1-CB 4.28Å; F511-W522 HydrophobicContact CD2-CB 4.12Å; F511-W522 HydrophobicContact CE1-CB 3.75Å; F511-W522 HydrophobicContact CE2-CB 3.57Å; F511-W522 AromaticContact CE2-CD1 3.89Å; F511-W522 AromaticContact CE2-CG 3.92Å; F511-W522 HydrophobicContact CE2-CG 3.92Å; F511-W522 HydrophobicContact CG-CB 4.44Å; F511-W522 HydrophobicContact CZ-CB 3.35Å; F511-W522 AromaticContact CZ-CG 3.97Å; F511-W522 HydrophobicContact CZ-CG 3.97Å; F511-W522 PolarHBondContact N-O 2.83Å; F511-W522 PolarHBondContact O-N 3.3Å; F511-P524 HydrophobicContact CD1-CG 4.34Å; F511-P524 HydrophobicContact CE1-CG 4.1Å; F511-W538 AromaticContact CE1-CD1 3.91Å
512	C	97.8	Very high	92	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.3	-179.2	-168.7	0	0	0	0	109.4	L495 F496 I498 I520 V521	L495-C512 HydrophobicContact CB-CB 4.28Å; L495-C512 WeakPolarHBondContact CB-O 3.46Å; L495-C512 PolarHBondContact N-O 3.35Å; F496-C512 HydrophobicContact CD1-CB 3.67Å; F496-C512 HydrophobicContact CE1-CB 3.51Å; F496-C512 HydrophobicContact CG-CB 4.4Å; F496-C512 HydrophobicContact CZ-CB 4.13Å; F496-C512 PolarHBondContact N-O 3.13Å; F496-C512 PolarHBondContact O-N 2.89Å; I498-C512 HydrophobicContact CD1-CB 4.13Å; C512-I520 WeakPolarHBondContact CA-O 3.15Å; C512-V521 HydrophobicContact CB-CG2 4.32Å
513	I	96	Very high	92.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152.7	175.4	65.1	-175.2	0	0	0	110	L5 L489 H492 Q493 W494 F511 I520	L5-I513 HydrophobicContact CD1-CD1 3.99Å; L489-I513 HydrophobicContact CD1-CG2 4.3Å; L489-I513 HydrophobicContact CD2-CD1 4.14Å; H492-I513 HydrophobicContact CB-CB 4.48Å; H492-I513 HydrophobicContact CB-CD1 4.02Å; H492-I513 HydrophobicContact CB-CG1 4.42Å; Q493-I513 CarbonylContact O-C 3.57Å; Q493-I513 VanDerWaalsContact O-CA 3.29Å; Q493-I513 WeakPolarHBondContact O-CA 3.26Å; W494-I513 HydrophobicContact CE3-CG2 4.42Å; F511-I513 HydrophobicContact CD2-CG2 3.85Å; F511-I513 HydrophobicContact CE2-CG2 4.06Å; I513-I520 PolarHBondContact N-O 3.17Å; I513-I520 PolarHBondContact O-N 2.67Å
514	R	93.5	Very high	93.1	Very high	22 Å²	22	20.4 Å²	20.4	8%	0.083	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.4	171.6	-178.5	169.8	170.5	-144.5	-10	110	D461 H492 Q493 L495 D516 D518	D461-R514 IonicContact OD1-CZ 3.11Å; D461-R514 IonicContact OD1-NH1 2.65Å; D461-R514 PolarHBondContact OD1-NH1 2.68Å; D461-R514 IonicContact OD1-NH2 2.75Å; D461-R514 PolarHBondContact OD1-NH2 2.94Å; D461-R514 IonicContact OD2-NH2 3.74Å; H492-R514 VanDerWaalsContact CA-O 3.26Å; H492-R514 WeakPolarHBondContact CA-O 3.49Å; H492-R514 VanDerWaalsContact CB-O 3.29Å; H492-R514 WeakPolarHBondContact CB-O 3.4Å; H492-R514 PolarHBondContact ND1-O 3.15Å; Q493-R514 HydrophobicContact CB-CB 4.13Å; Q493-R514 PolarHBondContact O-N 2.98Å; L495-R514 HydrophobicContact CD1-CB 4.35Å; L495-R514 HydrophobicContact CD2-CB 4.17Å; L495-R514 HydrophobicContact CG-CB 4.37Å; R514-D516 WeakPolarHBondContact CG-O 3.37Å; R514-D516 PolarHBondContact NE-O 3.26Å; R514-D516 PolarHBondContact NH2-O 3.35Å; R514-D518 WeakPolarHBondContact CA-O 3.33Å
515	H	90	Very high	93.7	Very high	39 Å²	39	15.1 Å²	15.1	18%	0.181	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	114.5	162.7	-164.4	-59.9	0	0	0	107.3	P7 H492 V517 D518 I520	P7-H515 HydrophobicContact CG-CB 4.46Å; P7-H515 WeakPolarHBondContact CG-CD2 3.47Å; H492-H515 AromaticContact CE1-CD2 3.27Å; H492-H515 PolarHBondContact CE1-CD2 3.42Å; H492-H515 AromaticContact CE1-CG 3.76Å; H492-H515 AromaticContact CE1-NE2 3.57Å; H492-H515 AromaticContact ND1-CD2 3.82Å; H492-H515 AromaticContact NE2-CD2 3.97Å; H515-V517 PolarHBondContact O-N 2.88Å; H515-D518 PolarHBondContact N-O 3.32Å; H515-D518 PolarHBondContact O-N 3.41Å; H515-I520 HydrophobicContact CB-CD1 4.41Å; H515-I520 HydrophobicContact CB-CG1 3.45Å; H515-I520 VanDerWaalsContact CB-CG1 3.45Å
516	D	87	Confident	93.8	Very high	78 Å²	78	12.7 Å²	12.7	42%	0.417	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-108.8	-171.7	-49.3	-47.9	0	0	0	111.8	R514	R514-D516 WeakPolarHBondContact CG-O 3.37Å; R514-D516 PolarHBondContact NE-O 3.26Å; R514-D516 PolarHBondContact NH2-O 3.35Å
517	V	90	Very high	93.1	Very high	73 Å²	73	16.7 Å²	16.7	44%	0.442	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-19.4	178.5	-63.1	0	0	0	0	113.2	H515 A546 F547 G548 Y549	H515-V517 PolarHBondContact O-N 2.88Å; V517-A546 CarbonylContact O-C 3.46Å; V517-A546 WeakPolarHBondContact O-CA 3.23Å; V517-F547 PolarHBondContact O-N 3.41Å; V517-G548 WeakPolarHBondContact O-CA 3.16Å; V517-G548 PolarHBondContact O-N 3.18Å; V517-Y549 PolarHBondContact O-N 3.26Å
518	D	93.6	Very high	91.6	Very high	24 Å²	24	23.4 Å²	23.4	13%	0.128	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	158.8	-169	-65	-42.4	0	0	0	113	R514 H515 I520 T543 Q545 A546	R514-D518 WeakPolarHBondContact CA-O 3.33Å; H515-D518 PolarHBondContact N-O 3.32Å; H515-D518 PolarHBondContact O-N 3.41Å; D518-I520 HydrophobicContact CB-CD1 3.94Å; D518-T543 HydrophobicContact CB-CG2 3.94Å; D518-Q545 WeakPolarHBondContact OD1-CA 3.47Å; D518-A546 PolarHBondContact OD1-N 2.66Å
519	G	95.9	Very high	89.8	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	112.9	164	0	0	0	0	0	110.6	T543 L544	G519-T543 CarbonylContact O-C 3.56Å; G519-L544 PolarHBondContact N-O 2.87Å; G519-L544 PolarHBondContact O-N 3.39Å
520	I	96.6	Very high	87.9	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.7	-177.6	-54.9	-54.6	0	0	0	109.9	P7 L12 C512 I513 H515 D518 W522 H540 T543	P7-I520 HydrophobicContact CG-CG1 4.39Å; L12-I520 HydrophobicContact CD2-CD1 3.6Å; C512-I520 WeakPolarHBondContact CA-O 3.15Å; I513-I520 PolarHBondContact N-O 3.17Å; I513-I520 PolarHBondContact O-N 2.67Å; H515-I520 HydrophobicContact CB-CD1 4.41Å; H515-I520 HydrophobicContact CB-CG1 3.45Å; H515-I520 VanDerWaalsContact CB-CG1 3.45Å; D518-I520 HydrophobicContact CB-CD1 3.94Å; I520-W522 HydrophobicContact CG2-CD2 4.41Å; I520-W522 HydrophobicContact CG2-CZ2 3.9Å; I520-W522 VanDerWaalsContact CG2-NE1 3.28Å; I520-H540 WeakPolarHBondContact CG2-CD2 3.41Å; I520-T543 HydrophobicContact CD1-CG2 3.95Å
521	V	97.5	Very high	85.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.7	177.7	-176.6	0	0	0	0	110.1	I498 A510 F511 C512 V541 S542 L571	I498-V521 HydrophobicContact CD1-CB 4.28Å; I498-V521 HydrophobicContact CD1-CG1 3.49Å; I498-V521 VanDerWaalsContact CD1-CG1 3.49Å; I498-V521 HydrophobicContact CD1-CG2 3.82Å; A510-V521 HydrophobicContact CB-CG1 4.02Å; F511-V521 CarbonylContact O-C 3.12Å; F511-V521 WeakPolarHBondContact O-CA 3.34Å; C512-V521 HydrophobicContact CB-CG2 4.32Å; V521-V541 HydrophobicContact CB-CG2 4.19Å; V521-V541 HydrophobicContact CG1-CG2 3.72Å; V521-V541 WeakPolarHBondContact O-CG2 3.22Å; V521-V541 PolarHBondContact O-N 3.37Å; V521-S542 VanDerWaalsContact CB-O 3.26Å; V521-S542 WeakPolarHBondContact CB-O 3.5Å; V521-S542 WeakPolarHBondContact CG2-O 3.45Å; V521-S542 PolarHBondContact N-O 2.92Å; V521-L571 HydrophobicContact CG2-CD1 3.79Å
522	W	96.5	Very high	83.6	Confident	6 Å²	6	39.1 Å²	39.1	2%	0.023	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.5	177.2	-67.5	94.5	0	0	0	110.8	L5 R6 A510 F511 I520 W538 R539 H540	L5-W522 HydrophobicContact CB-CH2 3.76Å; L5-W522 HydrophobicContact CB-CZ2 3.61Å; L5-W522 HydrophobicContact CB-CZ3 4.35Å; L5-W522 HydrophobicContact CD1-CD2 4.25Å; L5-W522 HydrophobicContact CD1-CZ2 4.49Å; L5-W522 HydrophobicContact CD2-CD2 4.39Å; L5-W522 HydrophobicContact CD2-CE3 4.08Å; L5-W522 HydrophobicContact CD2-CH2 4.3Å; L5-W522 HydrophobicContact CD2-CZ3 4.02Å; L5-W522 HydrophobicContact CG-CZ2 4.45Å; R6-W522 WeakPolarHBondContact O-CH2 3.36Å; A510-W522 WeakPolarHBondContact CA-O 3.38Å; A510-W522 VanDerWaalsContact CB-O 3.3Å; A510-W522 WeakPolarHBondContact CB-O 3.46Å; F511-W522 HydrophobicContact CD1-CB 4.28Å; F511-W522 HydrophobicContact CD2-CB 4.12Å; F511-W522 HydrophobicContact CE1-CB 3.75Å; F511-W522 HydrophobicContact CE2-CB 3.57Å; F511-W522 AromaticContact CE2-CD1 3.89Å; F511-W522 AromaticContact CE2-CG 3.92Å; F511-W522 HydrophobicContact CE2-CG 3.92Å; F511-W522 HydrophobicContact CG-CB 4.44Å; F511-W522 HydrophobicContact CZ-CB 3.35Å; F511-W522 AromaticContact CZ-CG 3.97Å; F511-W522 HydrophobicContact CZ-CG 3.97Å; F511-W522 PolarHBondContact N-O 2.83Å; F511-W522 PolarHBondContact O-N 3.3Å; I520-W522 HydrophobicContact CG2-CD2 4.41Å; I520-W522 HydrophobicContact CG2-CZ2 3.9Å; I520-W522 VanDerWaalsContact CG2-NE1 3.28Å; W522-W538 HydrophobicContact CE3-CB 3.9Å; W522-W538 WeakPolarHBondContact CZ3-O 3.37Å; W522-R539 WeakPolarHBondContact CA-O 3.26Å; W522-H540 HydrophobicContact CE3-CB 4.48Å; W522-H540 HydrophobicContact CH2-CB 4.25Å; W522-H540 HydrophobicContact CZ3-CB 4.18Å
523	L	95.2	Very high	81.4	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.5	174.7	-177.4	60	0	0	0	109.5	N506 A510 L525 R539 V541 L565	N506-L523 HydrophobicContact CB-CD1 4.13Å; N506-L523 HydrophobicContact CB-CD2 4.22Å; N506-L523 HydrophobicContact CB-CG 4.46Å; A510-L523 HydrophobicContact CB-CD1 4Å; L523-L525 HydrophobicContact CD2-CD2 3.85Å; L523-L525 HydrophobicContact CG-CD2 3.84Å; L523-R539 PolarHBondContact N-O 2.87Å; L523-R539 PolarHBondContact O-N 2.9Å; L523-V541 HydrophobicContact CB-CB 4.42Å; L523-V541 HydrophobicContact CB-CG1 3.64Å; L523-V541 HydrophobicContact CB-CG2 3.87Å; L523-V541 HydrophobicContact CD2-CG1 3.89Å; L523-V541 HydrophobicContact CG-CG1 4.45Å; L523-L565 HydrophobicContact CD1-CD2 4.04Å; L523-L565 HydrophobicContact CD2-CD2 4.27Å
524	P	95.2	Very high	79.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	136	166.2	-8.1	21	0	0	0	110.7	F238 H249 A507 H509 F511 V537	F238-P524 HydrophobicContact CE1-CG 4.26Å; F238-P524 HydrophobicContact CZ-CG 4.28Å; H249-P524 WeakPolarHBondContact NE2-CB 3.21Å; A507-P524 HydrophobicContact CB-CB 3.78Å; A507-P524 HydrophobicContact CB-CG 3.96Å; A507-P524 WeakPolarHBondContact CB-O 3.25Å; A507-P524 PolarHBondContact N-O 3.16Å; H509-P524 WeakPolarHBondContact O-CD 3.42Å; F511-P524 HydrophobicContact CD1-CG 4.34Å; F511-P524 HydrophobicContact CE1-CG 4.1Å; P524-V537 WeakPolarHBondContact CA-O 3.13Å
525	L	90.3	Very high	78	Confident	6 Å²	6	56.7 Å²	56.7	3%	0.031	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-118.6	144.9	-175.4	-56.1	175.8	0	0	0	111.1	L523 Q527 M530 V537 R539	L523-L525 HydrophobicContact CD2-CD2 3.85Å; L523-L525 HydrophobicContact CG-CD2 3.84Å; L525-Q527 PolarHBondContact O-N 2.69Å; L525-M530 HydrophobicContact CB-CE 3.68Å; L525-M530 HydrophobicContact CD1-CE 3.2Å; L525-M530 HydrophobicContact CD1-SD 4.11Å; L525-M530 HydrophobicContact CG-CE 4.06Å; L525-V537 PolarHBondContact N-O 3.01Å; L525-R539 HydrophobicContact CD1-CB 3.64Å; L525-R539 HydrophobicContact CD1-CG 4.42Å; L525-R539 HydrophobicContact CG-CB 4.26Å
526	C	84.8	Confident	77.4	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.02	31%	0.312	C	S	.	.			trans	-61.1	127.4	171.5	-66.6	0	0	0	0	110.4	E242 D244 P505 N528 T529	E242-C526 WeakPolarHBondContact OE2-CA 3.28Å; D244-C526 VanDerWaalsContact CG-SG 3.53Å; D244-C526 PolarHBondContact OD1-SG 2.85Å; P505-C526 WeakPolarHBondContact O-CB 3.47Å; P505-C526 PolarHBondContact O-N 2.86Å; P505-C526 PolarHBondContact O-SG 2.9Å; C526-N528 PolarHBondContact O-N 3.21Å; C526-N528 VanDerWaalsContact O-N 3.11Å; C526-T529 HydrophobicContact CB-CG2 4.32Å; C526-T529 PolarHBondContact O-N 3.38Å; C526-T529 PolarHBondContact O-OG1 2.81Å
527	Q	73.2	Confident	77.6	Confident	91 Å²	91	52.3 Å²	52.3	43%	0.425	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-55.5	-35.5	-175.1	-175.5	174.6	-5.6	0	0	113.1	L525 T529 M530	L525-Q527 PolarHBondContact O-N 2.69Å; Q527-T529 PolarHBondContact O-N 3.08Å; Q527-M530 PolarHBondContact O-N 2.89Å
528	N	63.7	Low	77.7	Confident	140 Å²	140	49 Å²	49	75%	0.749	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-62.5	-12.6	179.6	-67.4	-22.1	0	0	0	114.2	C526	C526-N528 PolarHBondContact O-N 3.21Å; C526-N528 VanDerWaalsContact O-N 3.11Å
529	T	57.8	Low	77.7	Confident	56 Å²	56	53.5 Å²	53.5	34%	0.344	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-99.9	-3.2	-176.7	66.1	0	0	0	0	113.5	P505 C526 Q527 T531	P505-T529 HydrophobicContact CB-CG2 3.19Å; P505-T529 HydrophobicContact CG-CG2 4.32Å; C526-T529 HydrophobicContact CB-CG2 4.32Å; C526-T529 PolarHBondContact O-N 3.38Å; C526-T529 PolarHBondContact O-OG1 2.81Å; Q527-T529 PolarHBondContact O-N 3.08Å; T529-T531 PolarHBondContact O-N 3.4Å
530	M	57.7	Low	77.6	Confident	69 Å²	69	54 Å²	54	34%	0.34	29%	0.291	S	S	.	.			trans	-78.5	110	176.4	-65.1	-60.3	100.5	0	0	109.9	L525 Q527	L525-M530 HydrophobicContact CB-CE 3.68Å; L525-M530 HydrophobicContact CD1-CE 3.2Å; L525-M530 HydrophobicContact CD1-SD 4.11Å; L525-M530 HydrophobicContact CG-CE 4.06Å; Q527-M530 PolarHBondContact O-N 2.89Å
531	T	51.6	Low	77.5	Confident	152 Å²	152	55.2 Å²	55.2	93%	0.933	30%	0.298	S	S	*	.			trans	-94.5	13.5	179.1	50.7	0	0	0	0	113.6	T529	T529-T531 PolarHBondContact O-N 3.4Å
532	G	51.1	Low	77.4	Confident	58 Å²	58	55.3 Å²	55.3	60%	0.598	30%	0.299	S	S	*	.	S	Bend	trans	-131.3	170.3	-171.2	0	0	0	0	0	115	D534	G532-D534 PolarHBondContact O-N 3.44Å
533	K	51.6	Low	77.3	Confident	218 Å²	218	55.5 Å²	55.5	95%	0.948	30%	0.301	S	S	*	.	S	Bend	trans	-72.3	-7.7	172.7	-75.4	-176	177.8	179	0	113.7	P535	K533-P535 VanDerWaalsContact O-CD 3.28Å; K533-P535 WeakPolarHBondContact O-CD 3.24Å
534	D	53.7	Low	77.4	Confident	113 Å²	113	55.4 Å²	55.4	60%	0.604	30%	0.3	S	S	*	.			trans	-78.7	114.5	179.2	-165.5	-19.6	0	0	0	109.6	G532 C536	G532-D534 PolarHBondContact O-N 3.44Å; D534-C536 PolarHBondContact O-N 3.32Å; D534-C536 WeakPolarHBondContact OD1-CB 3.31Å; D534-C536 PolarHBondContact OD1-N 2.86Å; D534-C536 VanDerWaalsContact OD1-N 3.12Å
535	P	65.4	Low	77.2	Confident	60 Å²	60	56 Å²	56	39%	0.39	30%	0.303	S	S	.	.			trans	-80.1	0.9	-176	34.5	-37.1	0	0	0	113.4	M1 K533 V537	M1-P535 HydrophobicContact CE-CB 3.59Å; M1-P535 HydrophobicContact CE-CG 3.29Å; M1-P535 HydrophobicContact SD-CB 3.71Å; M1-P535 HydrophobicContact SD-CG 4.09Å; K533-P535 VanDerWaalsContact O-CD 3.28Å; K533-P535 WeakPolarHBondContact O-CD 3.24Å; P535-V537 PolarHBondContact O-N 2.57Å; P535-V537 VanDerWaalsContact O-N 3.14Å
536	C	78.3	Confident	77.3	Confident	22 Å²	22	56.5 Å²	56.5	15%	0.149	31%	0.308	C	S	.	.			trans	-73.6	107.9	-175.6	-164.9	0	0	0	0	112	V3 D534 W538	V3-C536 HydrophobicContact CG1-CB 4.19Å; V3-C536 VanDerWaalsContact CG1-SG 3.57Å; D534-C536 PolarHBondContact O-N 3.32Å; D534-C536 WeakPolarHBondContact OD1-CB 3.31Å; D534-C536 PolarHBondContact OD1-N 2.86Å; D534-C536 VanDerWaalsContact OD1-N 3.12Å; C536-W538 PolarHBondContact O-N 3.17Å; C536-W538 PolarHBondContact SG-O 3.16Å
537	V	89.2	Confident	77.8	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.024	31%	0.307	C	S	.	.	S	Bend	trans	-72.9	-4.4	175.8	-62.3	0	0	0	0	114	H485 P524 L525 P535	H485-V537 HydrophobicContact CB-CG2 4.17Å; P524-V537 WeakPolarHBondContact CA-O 3.13Å; L525-V537 PolarHBondContact N-O 3.01Å; P535-V537 PolarHBondContact O-N 2.57Å; P535-V537 VanDerWaalsContact O-N 3.14Å
538	W	93.7	Very high	78.7	Confident	3 Å²	3	52 Å²	52	1%	0.011	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.7	177.8	-58.6	-71.1	0	0	0	109.6	V3 L5 H249 L473 R475 H485 A487 F511 W522 C536	V3-W538 HydrophobicContact CB-CE3 4.47Å; V3-W538 HydrophobicContact CB-CZ3 3.96Å; V3-W538 HydrophobicContact CG1-CE3 4.24Å; V3-W538 HydrophobicContact CG1-CZ3 4.23Å; V3-W538 HydrophobicContact CG2-CZ3 4.1Å; L5-W538 HydrophobicContact CD2-CB 3.79Å; L5-W538 HydrophobicContact CD2-CD2 4.2Å; L5-W538 HydrophobicContact CD2-CE3 3.79Å; L5-W538 HydrophobicContact CD2-CG 4.24Å; H249-W538 AromaticContact CE1-NE1 3.67Å; H249-W538 AromaticContact ND1-CE2 3.75Å; H249-W538 AromaticContact ND1-CZ2 3.87Å; H249-W538 AromaticContact ND1-NE1 3.18Å; H249-W538 PolarHBondContact ND1-NE1 3.15Å; H249-W538 VanDerWaalsContact ND1-NE1 3.18Å; L473-W538 HydrophobicContact CD1-CZ2 4.33Å; L473-W538 HydrophobicContact CD2-CD2 3.56Å; L473-W538 HydrophobicContact CD2-CE3 4.09Å; L473-W538 HydrophobicContact CD2-CG 3.96Å; L473-W538 HydrophobicContact CD2-CH2 4.15Å; L473-W538 HydrophobicContact CD2-CZ2 3.66Å; L473-W538 HydrophobicContact CD2-CZ3 4.35Å; L473-W538 HydrophobicContact CG-CD2 4.38Å; L473-W538 HydrophobicContact CG-CH2 4.08Å; L473-W538 HydrophobicContact CG-CZ2 3.52Å; R475-W538 HydrophobicContact CB-CZ2 4.18Å; H485-W538 HydrophobicContact CB-CH2 3.67Å; H485-W538 HydrophobicContact CB-CZ3 4Å; A487-W538 HydrophobicContact CB-CZ3 4.08Å; F511-W538 AromaticContact CE1-CD1 3.91Å; W522-W538 HydrophobicContact CE3-CB 3.9Å; W522-W538 WeakPolarHBondContact CZ3-O 3.37Å; C536-W538 PolarHBondContact O-N 3.17Å; C536-W538 PolarHBondContact SG-O 3.16Å
539	R	93.2	Very high	80	Confident	119 Å²	119	50.6 Å²	50.6	45%	0.449	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.8	-177.6	177.9	169	63.6	107.9	-2.2	111.4	W522 L523 L525 V541	W522-R539 WeakPolarHBondContact CA-O 3.26Å; L523-R539 PolarHBondContact N-O 2.87Å; L523-R539 PolarHBondContact O-N 2.9Å; L525-R539 HydrophobicContact CD1-CB 3.64Å; L525-R539 HydrophobicContact CD1-CG 4.42Å; L525-R539 HydrophobicContact CG-CB 4.26Å; R539-V541 HydrophobicContact CB-CG1 4.48Å; R539-V541 HydrophobicContact CG-CG1 4.1Å; R539-V541 PolarHBondContact O-N 2.72Å
540	H	94.3	Very high	81.6	Confident	10 Å²	10	49 Å²	49	5%	0.046	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	121.1	167.8	-178.5	-159.5	0	0	0	109.1	D8 L11 I520 W522 S542 T543	D8-H540 HydrophobicContact CB-CB 4.15Å; D8-H540 PolarHBondContact N-ND1 3.08Å; D8-H540 PolarHBondContact O-ND1 2.85Å; L11-H540 WeakPolarHBondContact CB-CE1 3.42Å; L11-H540 HydrophobicContact CD1-CB 4.37Å; L11-H540 WeakPolarHBondContact CD1-O 3.39Å; I520-H540 WeakPolarHBondContact CG2-CD2 3.41Å; W522-H540 HydrophobicContact CE3-CB 4.48Å; W522-H540 HydrophobicContact CH2-CB 4.25Å; W522-H540 HydrophobicContact CZ3-CB 4.18Å; H540-S542 PolarHBondContact CD2-O 3.33Å; H540-S542 PolarHBondContact NE2-O 3Å; H540-S542 VanDerWaalsContact NE2-O 3.1Å; H540-T543 PolarHBondContact CE1-OG1 2.92Å; H540-T543 PolarHBondContact NE2-OG1 2.97Å
541	V	94.2	Very high	83.3	Confident	26 Å²	26	46.4 Å²	46.4	16%	0.158	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-19.7	-175.5	-67.5	0	0	0	0	114.4	V521 L523 R539 L565	V521-V541 HydrophobicContact CB-CG2 4.19Å; V521-V541 HydrophobicContact CG1-CG2 3.72Å; V521-V541 WeakPolarHBondContact O-CG2 3.22Å; V521-V541 PolarHBondContact O-N 3.37Å; L523-V541 HydrophobicContact CB-CB 4.42Å; L523-V541 HydrophobicContact CB-CG1 3.64Å; L523-V541 HydrophobicContact CB-CG2 3.87Å; L523-V541 HydrophobicContact CD2-CG1 3.89Å; L523-V541 HydrophobicContact CG-CG1 4.45Å; R539-V541 HydrophobicContact CB-CG1 4.48Å; R539-V541 HydrophobicContact CG-CG1 4.1Å; R539-V541 PolarHBondContact O-N 2.72Å; V541-L565 HydrophobicContact CG2-CD1 4.34Å; V541-L565 HydrophobicContact CG2-CD2 3.85Å
542	S	95.2	Very high	85	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	147.9	178.8	-172.2	0	0	0	0	109.6	V521 H540 L571	V521-S542 VanDerWaalsContact CB-O 3.26Å; V521-S542 WeakPolarHBondContact CB-O 3.5Å; V521-S542 WeakPolarHBondContact CG2-O 3.45Å; V521-S542 PolarHBondContact N-O 2.92Å; H540-S542 PolarHBondContact CD2-O 3.33Å; H540-S542 PolarHBondContact NE2-O 3Å; H540-S542 VanDerWaalsContact NE2-O 3.1Å; S542-L571 PolarHBondContact OG-N 2.81Å
543	T	95.1	Very high	86.7	Confident	11 Å²	11	40.8 Å²	40.8	7%	0.067	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136	170.8	-58	0	0	0	0	109.6	L11 L12 D518 G519 I520 H540 Q545 Q588	L11-T543 WeakPolarHBondContact O-CB 3.05Å; L11-T543 PolarHBondContact O-OG1 2.8Å; L12-T543 HydrophobicContact CD2-CG2 3.86Å; D518-T543 HydrophobicContact CB-CG2 3.94Å; G519-T543 CarbonylContact O-C 3.56Å; I520-T543 HydrophobicContact CD1-CG2 3.95Å; H540-T543 PolarHBondContact CE1-OG1 2.92Å; H540-T543 PolarHBondContact NE2-OG1 2.97Å; T543-Q545 VanDerWaalsContact CG2-NE2 3.34Å; T543-Q588 PolarHBondContact O-OE1 3.16Å
544	L	95.4	Very high	88.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	98.5	165.9	-62.4	172.5	0	0	0	107.5	F496 G519 A546 F547 L571 V574 Q588	F496-L544 HydrophobicContact CE1-CD1 3.73Å; F496-L544 HydrophobicContact CZ-CD1 3.83Å; G519-L544 PolarHBondContact N-O 2.87Å; G519-L544 PolarHBondContact O-N 3.39Å; L544-A546 PolarHBondContact O-N 3.03Å; L544-F547 HydrophobicContact CB-CB 3.52Å; L544-F547 HydrophobicContact CB-CD1 4.17Å; L544-F547 HydrophobicContact CB-CG 4.05Å; L544-F547 HydrophobicContact CD1-CD1 3.7Å; L544-F547 HydrophobicContact CD1-CE1 4.18Å; L544-F547 HydrophobicContact CD1-CG 4.24Å; L544-F547 WeakPolarHBondContact O-CB 3.4Å; L544-F547 PolarHBondContact O-N 3.33Å; L544-F547 VanDerWaalsContact O-N 3.14Å; L544-L571 HydrophobicContact CD1-CD1 4.39Å; L544-L571 HydrophobicContact CD2-CB 4.03Å; L544-L571 HydrophobicContact CD2-CD1 4.21Å; L544-L571 HydrophobicContact CG-CD1 4.47Å; L544-V574 HydrophobicContact CD1-CB 4.12Å; L544-V574 HydrophobicContact CD1-CG1 4.08Å; L544-V574 HydrophobicContact CD1-CG2 4.39Å; L544-V574 HydrophobicContact CD2-CB 4.37Å; L544-V574 HydrophobicContact CD2-CG1 4.24Å; L544-Q588 HydrophobicContact CD2-CG 3.86Å
545	Q	92.4	Very high	89.8	Confident	14 Å²	14	36 Å²	36	7%	0.065	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	133.1	-170.3	-53.8	-60.5	-30.4	0	0	111.1	L11 D13 F16 Y19 D518 T543 F547	L11-Q545 PolarHBondContact O-NE2 2.82Å; D13-Q545 HydrophobicContact CB-CG 4.29Å; F16-Q545 HydrophobicContact CB-CB 4.18Å; F16-Q545 HydrophobicContact CB-CG 4.46Å; F16-Q545 HydrophobicContact CD1-CB 3.74Å; F16-Q545 HydrophobicContact CD2-CB 3.56Å; F16-Q545 HydrophobicContact CD2-CG 3.98Å; F16-Q545 HydrophobicContact CE1-CB 3.98Å; F16-Q545 HydrophobicContact CE2-CB 3.78Å; F16-Q545 HydrophobicContact CE2-CG 4.44Å; F16-Q545 HydrophobicContact CG-CB 3.53Å; F16-Q545 HydrophobicContact CG-CG 4.17Å; F16-Q545 HydrophobicContact CZ-CB 3.98Å; Y19-Q545 WeakPolarHBondContact CE2-O 3.45Å; Y19-Q545 PolarHBondContact OH-O 3.38Å; D518-Q545 WeakPolarHBondContact OD1-CA 3.47Å; T543-Q545 VanDerWaalsContact CG2-NE2 3.34Å; Q545-F547 PolarHBondContact O-N 2.79Å
546	A	92	Very high	90.7	Very high	15 Å²	15	38.7 Å²	38.7	12%	0.124	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	11.1	-174.8	0	0	0	0	0	116.2	F16 Y19 V517 D518 L544 G548 Y549 V550	F16-A546 HydrophobicContact CD1-CB 3.87Å; F16-A546 HydrophobicContact CE1-CB 3.47Å; F16-A546 VanDerWaalsContact CE1-CB 3.47Å; Y19-A546 HydrophobicContact CE2-CB 4.21Å; V517-A546 CarbonylContact O-C 3.46Å; V517-A546 WeakPolarHBondContact O-CA 3.23Å; D518-A546 PolarHBondContact OD1-N 2.66Å; L544-A546 PolarHBondContact O-N 3.03Å; A546-G548 PolarHBondContact O-N 2.96Å; A546-Y549 PolarHBondContact O-N 2.9Å; A546-V550 VanDerWaalsContact O-CG2 3.29Å; A546-V550 WeakPolarHBondContact O-CG2 3.33Å; A546-V550 PolarHBondContact O-N 2.83Å
547	F	94.8	Very high	91.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-73.5	-30.1	-172.1	-179.1	-109.7	0	0	0	112.3	L495 F496 V517 L544 Q545 Y549 V550 L551 V560 V574 V576 Y586	L495-F547 HydrophobicContact CD1-CD1 4.13Å; L495-F547 HydrophobicContact CD1-CE1 4.47Å; F496-F547 HydrophobicContact CD1-CE1 4.37Å; F496-F547 HydrophobicContact CE1-CE1 4Å; V517-F547 PolarHBondContact O-N 3.41Å; L544-F547 HydrophobicContact CB-CB 3.52Å; L544-F547 HydrophobicContact CB-CD1 4.17Å; L544-F547 HydrophobicContact CB-CG 4.05Å; L544-F547 HydrophobicContact CD1-CD1 3.7Å; L544-F547 HydrophobicContact CD1-CE1 4.18Å; L544-F547 HydrophobicContact CD1-CG 4.24Å; L544-F547 WeakPolarHBondContact O-CB 3.4Å; L544-F547 PolarHBondContact O-N 3.33Å; L544-F547 VanDerWaalsContact O-N 3.14Å; Q545-F547 PolarHBondContact O-N 2.79Å; F547-Y549 VanDerWaalsContact C-N 3.34Å; F547-V550 PolarHBondContact O-N 2.88Å; F547-L551 HydrophobicContact CE1-CB 4.3Å; F547-L551 HydrophobicContact CE1-CD2 4.15Å; F547-L551 HydrophobicContact CE2-CB 4.37Å; F547-L551 HydrophobicContact CZ-CB 4.11Å; F547-L551 HydrophobicContact CZ-CD1 4.13Å; F547-L551 HydrophobicContact CZ-CD2 4.24Å; F547-L551 HydrophobicContact CZ-CG 4.39Å; F547-L551 WeakPolarHBondContact O-CB 3.47Å; F547-L551 PolarHBondContact O-N 2.81Å; F547-V560 HydrophobicContact CE1-CG1 4.18Å; F547-V560 HydrophobicContact CZ-CG1 3.89Å; F547-V574 HydrophobicContact CD1-CG1 4.29Å; F547-V574 HydrophobicContact CD2-CG1 3.55Å; F547-V574 HydrophobicContact CE1-CG1 4.17Å; F547-V574 HydrophobicContact CE1-CG2 4Å; F547-V574 HydrophobicContact CE2-CB 4.44Å; F547-V574 HydrophobicContact CE2-CG1 3.42Å; F547-V574 VanDerWaalsContact CE2-CG1 3.42Å; F547-V574 HydrophobicContact CE2-CG2 4.15Å; F547-V574 HydrophobicContact CG-CG1 4Å; F547-V574 HydrophobicContact CZ-CB 4.35Å; F547-V574 HydrophobicContact CZ-CG1 3.75Å; F547-V574 HydrophobicContact CZ-CG2 3.63Å; F547-V576 HydrophobicContact CE2-CG2 3.83Å; F547-V576 HydrophobicContact CZ-CG2 3.78Å; F547-Y586 AromaticContact CD2-CD2 3.94Å; F547-Y586 HydrophobicContact CD2-CD2 3.94Å; F547-Y586 HydrophobicContact CD2-CE2 4.44Å; F547-Y586 HydrophobicContact CD2-CG 4.29Å; F547-Y586 AromaticContact CE2-CD2 3.61Å; F547-Y586 HydrophobicContact CE2-CD2 3.61Å; F547-Y586 AromaticContact CE2-CE2 3.94Å; F547-Y586 HydrophobicContact CE2-CE2 3.94Å; F547-Y586 HydrophobicContact CE2-CG 4.39Å
548	G	93.1	Very high	91.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-47.4	174	0	0	0	0	0	111.5	V517 A546 A552	V517-G548 WeakPolarHBondContact O-CA 3.16Å; V517-G548 PolarHBondContact O-N 3.18Å; A546-G548 PolarHBondContact O-N 2.96Å; G548-A552 PolarHBondContact O-N 2.61Å
549	Y	90.1	Very high	91.4	Very high	110 Å²	110	42.2 Å²	42.2	43%	0.431	21%	0.205	S	C	.	.	H	α-helix	trans	-62.7	-47.7	174.1	179.8	-101.4	0	0	0	112.2	E458 V517 A546 F547 L551 A552 S553	E458-Y549 WeakPolarHBondContact OE1-CE2 3.35Å; V517-Y549 PolarHBondContact O-N 3.26Å; A546-Y549 PolarHBondContact O-N 2.9Å; F547-Y549 VanDerWaalsContact C-N 3.34Å; Y549-L551 PolarHBondContact O-N 3.12Å; Y549-A552 WeakPolarHBondContact O-CB 3.46Å; Y549-A552 PolarHBondContact O-N 3.03Å; Y549-S553 PolarHBondContact O-N 3.33Å
550	V	91.6	Very high	91.6	Very high	22 Å²	22	38 Å²	38	13%	0.133	19%	0.192	C	C	.	.	H	α-helix	trans	-66	-40.5	-176.6	171.7	0	0	0	0	112.1	Y19 A546 F547 A552 S553 Y586	Y19-V550 HydrophobicContact CD2-CG2 3.89Å; Y19-V550 HydrophobicContact CE2-CG2 4.15Å; A546-V550 VanDerWaalsContact O-CG2 3.29Å; A546-V550 WeakPolarHBondContact O-CG2 3.33Å; A546-V550 PolarHBondContact O-N 2.83Å; F547-V550 PolarHBondContact O-N 2.88Å; V550-A552 VanDerWaalsContact C-N 3.34Å; V550-S553 WeakPolarHBondContact O-CB 3.33Å; V550-S553 PolarHBondContact O-N 2.72Å; V550-S553 PolarHBondContact O-OG 3.45Å; V550-Y586 HydrophobicContact CG1-CD1 4.11Å; V550-Y586 HydrophobicContact CG1-CE1 3.34Å; V550-Y586 HydrophobicContact CG1-CE2 3.99Å; V550-Y586 WeakPolarHBondContact CG1-OH 3.18Å
551	L	93	Very high	91.8	Very high	15 Å²	15	38.4 Å²	38.4	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-37	177.6	-172.2	66.9	0	0	0	111.6	L495 F547 Y549 S553 K554 V560 V576	L495-L551 HydrophobicContact CB-CD2 4.09Å; L495-L551 HydrophobicContact CD2-CB 4.4Å; L495-L551 HydrophobicContact CD2-CD2 3.55Å; L495-L551 HydrophobicContact CD2-CG 4.5Å; L495-L551 HydrophobicContact CG-CD2 4.39Å; F547-L551 HydrophobicContact CE1-CB 4.3Å; F547-L551 HydrophobicContact CE1-CD2 4.15Å; F547-L551 HydrophobicContact CE2-CB 4.37Å; F547-L551 HydrophobicContact CZ-CB 4.11Å; F547-L551 HydrophobicContact CZ-CD1 4.13Å; F547-L551 HydrophobicContact CZ-CD2 4.24Å; F547-L551 HydrophobicContact CZ-CG 4.39Å; F547-L551 WeakPolarHBondContact O-CB 3.47Å; F547-L551 PolarHBondContact O-N 2.81Å; Y549-L551 PolarHBondContact O-N 3.12Å; L551-S553 PolarHBondContact O-N 3.06Å; L551-S553 VanDerWaalsContact O-N 3.17Å; L551-K554 HydrophobicContact CD1-CB 4.45Å; L551-K554 WeakPolarHBondContact O-CA 3.23Å; L551-K554 WeakPolarHBondContact O-CB 3.49Å; L551-K554 PolarHBondContact O-N 3.31Å; L551-V560 HydrophobicContact CD1-CG2 3.78Å; L551-V560 HydrophobicContact CD2-CG2 4.05Å; L551-V576 HydrophobicContact CD1-CB 4.48Å; L551-V576 HydrophobicContact CD1-CG1 3.81Å; L551-V576 HydrophobicContact CD1-CG2 3.81Å
552	A	87.5	Confident	91.9	Very high	21 Å²	21	37.7 Å²	37.7	17%	0.174	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-29.5	175.5	0	0	0	0	0	112.7	V460 G548 Y549 V550 K554	V460-A552 HydrophobicContact CG2-CB 4.29Å; G548-A552 PolarHBondContact O-N 2.61Å; Y549-A552 WeakPolarHBondContact O-CB 3.46Å; Y549-A552 PolarHBondContact O-N 3.03Å; V550-A552 VanDerWaalsContact C-N 3.34Å; A552-K554 VanDerWaalsContact C-N 3.26Å; A552-K554 PolarHBondContact O-N 2.62Å
553	S	87.6	Confident	92	Very high	71 Å²	71	37.8 Å²	37.8	50%	0.497	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.3	172.9	81.9	0	0	0	0	114.4	Y549 V550 L551 R555	Y549-S553 PolarHBondContact O-N 3.33Å; V550-S553 WeakPolarHBondContact O-CB 3.33Å; V550-S553 PolarHBondContact O-N 2.72Å; V550-S553 PolarHBondContact O-OG 3.45Å; L551-S553 PolarHBondContact O-N 3.06Å; L551-S553 VanDerWaalsContact O-N 3.17Å; S553-R555 PolarHBondContact O-N 2.81Å
554	K	88.6	Confident	92.1	Very high	46 Å²	46	37.9 Å²	37.9	20%	0.2	19%	0.194	C	C	.	.			trans	-101.6	61.1	-177.1	-53.6	-49.4	178.8	-156.4	0	111	L551 A552 D556 S557 Y584 Y586	L551-K554 HydrophobicContact CD1-CB 4.45Å; L551-K554 WeakPolarHBondContact O-CA 3.23Å; L551-K554 WeakPolarHBondContact O-CB 3.49Å; L551-K554 PolarHBondContact O-N 3.31Å; A552-K554 VanDerWaalsContact C-N 3.26Å; A552-K554 PolarHBondContact O-N 2.62Å; K554-D556 PolarHBondContact O-N 2.91Å; K554-S557 WeakPolarHBondContact O-CB 3.23Å; K554-S557 PolarHBondContact O-N 3.43Å; K554-S557 PolarHBondContact O-OG 2.93Å; K554-S557 VanDerWaalsContact O-OG 3.14Å; K554-Y584 HydrophobicContact CD-CD2 4.37Å; K554-Y584 HydrophobicContact CD-CE1 4.35Å; K554-Y584 HydrophobicContact CD-CE2 4.15Å; K554-Y586 WeakPolarHBondContact CE-OH 3.32Å
555	R	81	Confident	92.1	Very high	185 Å²	185	38.5 Å²	38.5	70%	0.698	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.5	-176.7	-62.6	-176.1	-178.2	172	-1.9	114.6	S553 S557	S553-R555 PolarHBondContact O-N 2.81Å; R555-S557 VanDerWaalsContact C-N 3.32Å
556	D	85.3	Confident	92	Very high	116 Å²	116	39.9 Å²	39.9	62%	0.62	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	11.1	176.6	-58.9	-38.9	0	0	0	113.7	K554 R558 D578 L579	K554-D556 PolarHBondContact O-N 2.91Å; D556-R558 PolarHBondContact O-N 2.73Å; D556-D578 HydrophobicContact CB-CB 4.45Å; D556-D578 VanDerWaalsContact O-CA 3.31Å; D556-D578 WeakPolarHBondContact O-CA 3.24Å; D556-L579 PolarHBondContact O-N 3.23Å
557	S	89.9	Confident	91.6	Very high	45 Å²	45	43.2 Å²	43.2	32%	0.315	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	127.1	179.8	66.3	0	0	0	0	110.9	K554 R555	K554-S557 WeakPolarHBondContact O-CB 3.23Å; K554-S557 PolarHBondContact O-N 3.43Å; K554-S557 PolarHBondContact O-OG 2.93Å; K554-S557 VanDerWaalsContact O-OG 3.14Å; R555-S557 VanDerWaalsContact C-N 3.32Å
558	R	90.7	Very high	91.1	Very high	46 Å²	46	47.4 Å²	47.4	17%	0.174	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-45.6	174.8	-171	-177.6	178.8	165.3	4.9	111.9	N55 D556 A577 L579 I632	N55-R558 PolarHBondContact O-NH2 3.15Å; N55-R558 VanDerWaalsContact O-NH2 3.08Å; D556-R558 PolarHBondContact O-N 2.73Å; R558-A577 PolarHBondContact N-O 2.91Å; R558-L579 HydrophobicContact CB-CD2 4.03Å; R558-L579 HydrophobicContact CG-CD2 4.15Å; R558-I632 WeakPolarHBondContact CD-O 2.99Å; R558-I632 VanDerWaalsContact CZ-O 3.27Å; R558-I632 PolarHBondContact NE-O 2.81Å; R558-I632 PolarHBondContact NH1-O 3.48Å
559	F	95.3	Very high	90.8	Very high	13 Å²	13	50.4 Å²	50.4	6%	0.057	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.3	-176.5	-61.9	-67.2	0	0	0	110.9	N58 V576 A577 I632 F635	N58-F559 HydrophobicContact CB-CD1 4.49Å; N58-F559 HydrophobicContact CB-CE1 3.99Å; F559-V576 CarbonylContact O-C 3.29Å; F559-V576 WeakPolarHBondContact O-CA 3.11Å; F559-A577 HydrophobicContact CB-CB 4.4Å; F559-A577 PolarHBondContact N-O 2.84Å; F559-A577 PolarHBondContact O-N 3.39Å; F559-I632 HydrophobicContact CD2-CG2 3.95Å; F559-I632 HydrophobicContact CE2-CG2 4.05Å; F559-I632 WeakPolarHBondContact CE2-O 3.3Å; F559-F635 HydrophobicContact CB-CB 3.58Å; F559-F635 HydrophobicContact CB-CD1 3.61Å; F559-F635 HydrophobicContact CB-CG 3.78Å; F559-F635 HydrophobicContact CD2-CB 3.7Å; F559-F635 HydrophobicContact CG-CB 3.71Å; F559-F635 HydrophobicContact CG-CG 4.43Å
560	V	97.1	Very high	90.8	Very high	29 Å²	29	49 Å²	49	18%	0.176	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.3	170.5	-177.6	0	0	0	0	106.9	F496 F547 L551 V574 A575 V576	F496-V560 HydrophobicContact CB-CB 3.9Å; F496-V560 HydrophobicContact CB-CG1 3.94Å; F496-V560 HydrophobicContact CD1-CB 4.36Å; F496-V560 HydrophobicContact CD1-CG1 3.47Å; F496-V560 VanDerWaalsContact CD1-CG1 3.47Å; F496-V560 HydrophobicContact CD2-CG1 4.14Å; F496-V560 HydrophobicContact CE1-CG1 3.96Å; F496-V560 HydrophobicContact CG-CB 4.12Å; F496-V560 HydrophobicContact CG-CG1 3.6Å; F496-V560 HydrophobicContact CZ-CG1 4.48Å; F547-V560 HydrophobicContact CE1-CG1 4.18Å; F547-V560 HydrophobicContact CZ-CG1 3.89Å; L551-V560 HydrophobicContact CD1-CG2 3.78Å; L551-V560 HydrophobicContact CD2-CG2 4.05Å; V560-V574 HydrophobicContact CG1-CG2 3.7Å; V560-A575 WeakPolarHBondContact CA-O 3.41Å; V560-V576 HydrophobicContact CG1-CG2 4.32Å; V560-V576 HydrophobicContact CG2-CG1 4.25Å; V560-V576 HydrophobicContact CG2-CG2 4.24Å
561	S	97.6	Very high	90.9	Very high	20 Å²	20	48.3 Å²	48.3	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	140.5	-176.5	-171.8	0	0	0	0	110.5	A575 A637	S561-A575 PolarHBondContact N-O 3.11Å; S561-A575 PolarHBondContact O-N 3.27Å; S561-A637 WeakPolarHBondContact O-CB 3.15Å; S561-A637 PolarHBondContact OG-N 2.78Å
562	S	97.5	Very high	90.7	Very high	11 Å²	11	53.1 Å²	53.1	8%	0.077	31%	0.308	C	S	.	.			trans	-120.9	165.3	166.9	70.4	0	0	0	0	109.1	F573	S562-F573 WeakPolarHBondContact CB-O 3.47Å
563	P	96.6	Very high	91.1	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.026	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-52.6	161.1	160.4	-23.9	35.3	0	0	0	111.6	F573 D639	P563-F573 VanDerWaalsContact CD-O 3.28Å; P563-F573 WeakPolarHBondContact CD-O 3.26Å; P563-F573 HydrophobicContact CG-CD1 3.82Å; P563-F573 HydrophobicContact CG-CE1 3.27Å; P563-F573 HydrophobicContact CG-CE2 4.41Å; P563-F573 HydrophobicContact CG-CZ 3.63Å; P563-D639 HydrophobicContact CB-CB 3.99Å; P563-D639 HydrophobicContact CG-CB 4.07Å
564	V	96	Very high	91.6	Very high	13 Å²	13	49 Å²	49	8%	0.079	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-60.1	144.5	176.7	-56.7	0	0	0	0	110.9	P64 T67 R499 A501 S566	P64-V564 HydrophobicContact CB-CG1 4.31Å; T67-V564 HydrophobicContact CG2-CB 4.17Å; T67-V564 HydrophobicContact CG2-CG1 3.52Å; T67-V564 HydrophobicContact CG2-CG2 3.51Å; R499-V564 HydrophobicContact CB-CG1 4.15Å; R499-V564 CarbonylContact O-C 3.53Å; R499-V564 VanDerWaalsContact O-CA 3.28Å; R499-V564 WeakPolarHBondContact O-CA 3.42Å; R499-V564 WeakPolarHBondContact O-CB 3.32Å; A501-V564 HydrophobicContact CB-CB 4.44Å; A501-V564 HydrophobicContact CB-CG2 3.85Å; V564-S566 PolarHBondContact O-N 3.47Å
565	L	95.3	Very high	92	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.063	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-73.8	117.8	173.5	-174.1	69.6	0	0	0	109.1	I498 R499 A501 A510 L523 V541 L571	I498-L565 HydrophobicContact CG2-CB 3.81Å; R499-L565 PolarHBondContact O-N 3.41Å; A501-L565 PolarHBondContact N-O 2.89Å; A510-L565 HydrophobicContact CB-CD2 3.76Å; L523-L565 HydrophobicContact CD1-CD2 4.04Å; L523-L565 HydrophobicContact CD2-CD2 4.27Å; V541-L565 HydrophobicContact CG2-CD1 4.34Å; V541-L565 HydrophobicContact CG2-CD2 3.85Å; L565-L571 HydrophobicContact CD1-CD2 4.22Å
566	S	91.6	Very high	92.8	Very high	43 Å²	43	38 Å²	38	30%	0.301	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-102.7	148.3	174.4	-61.2	0	0	0	0	110.2	V564 G568 S569	V564-S566 PolarHBondContact O-N 3.47Å; S566-G568 PolarHBondContact O-N 2.89Å; S566-S569 PolarHBondContact O-N 3.42Å
567	D	84.4	Confident	93.4	Very high	85 Å²	85	32.5 Å²	32.5	46%	0.455	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	130.4	-178.9	-78	-40.9	0	0	0	112.4	T502 N506 S569	T502-D567 PolarHBondContact OG1-OD2 3.45Å; N506-D567 PolarHBondContact ND2-OD1 3.45Å; D567-S569 PolarHBondContact O-N 2.99Å; D567-S569 VanDerWaalsContact O-N 3.1Å
568	G	83.5	Confident	93.5	Very high	89 Å²	89	31.3 Å²	31.3	92%	0.918	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	6.6	175.9	0	0	0	0	0	115.5	S566	S566-G568 PolarHBondContact O-N 2.89Å
569	S	87	Confident	93.5	Very high	63 Å²	63	33.2 Å²	33.2	44%	0.441	21%	0.209	S	C	.	.			trans	-117.7	122.6	-178.8	-59.5	0	0	0	0	110.8	S566 D567	S566-S569 PolarHBondContact O-N 3.42Å; D567-S569 PolarHBondContact O-N 2.99Å; D567-S569 VanDerWaalsContact O-N 3.1Å
570	P	89.6	Confident	93.1	Very high	81 Å²	81	35.1 Å²	35.1	53%	0.526	22%	0.221	S	C	.	.			trans	-67.7	161.6	175.2	30	-34.8	0	0	0	111	K572	P570-K572 PolarHBondContact O-N 3.24Å
571	L	93	Very high	92.7	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.037	23%	0.232	C	C	.	.			trans	-66	126.6	176.4	-65.2	-179.7	0	0	0	110.7	F496 I498 V521 S542 L544 L565 Q588	F496-L571 HydrophobicContact CZ-CD1 4.39Å; I498-L571 HydrophobicContact CD1-CD1 3.82Å; I498-L571 HydrophobicContact CG1-CD1 4.42Å; I498-L571 HydrophobicContact CG2-CD2 4.37Å; V521-L571 HydrophobicContact CG2-CD1 3.79Å; S542-L571 PolarHBondContact OG-N 2.81Å; L544-L571 HydrophobicContact CD1-CD1 4.39Å; L544-L571 HydrophobicContact CD2-CB 4.03Å; L544-L571 HydrophobicContact CD2-CD1 4.21Å; L544-L571 HydrophobicContact CG-CD1 4.47Å; L565-L571 HydrophobicContact CD1-CD2 4.22Å; L571-Q588 VanDerWaalsContact O-CG 3.23Å; L571-Q588 WeakPolarHBondContact O-CG 3.49Å
572	K	90.5	Very high	92.6	Very high	116 Å²	116	44 Å²	44	50%	0.504	25%	0.248	S	C	.	.			trans	-73.6	-37.3	-178.6	-62.9	171.5	-174.7	159	0	112.7	P570 Q588 D639	P570-K572 PolarHBondContact O-N 3.24Å; K572-Q588 PolarHBondContact O-N 3.45Å; K572-D639 IonicContact NZ-OD2 2.85Å; K572-D639 PolarHBondContact NZ-OD2 2.84Å
573	F	95.2	Very high	92.5	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	163.4	179.3	71.9	-85.3	0	0	0	110.8	S562 P563 A575 I585 Y586 C587 A637 T638 P643 V645 L658	S562-F573 WeakPolarHBondContact CB-O 3.47Å; P563-F573 VanDerWaalsContact CD-O 3.28Å; P563-F573 WeakPolarHBondContact CD-O 3.26Å; P563-F573 HydrophobicContact CG-CD1 3.82Å; P563-F573 HydrophobicContact CG-CE1 3.27Å; P563-F573 HydrophobicContact CG-CE2 4.41Å; P563-F573 HydrophobicContact CG-CZ 3.63Å; F573-A575 HydrophobicContact CE2-CB 4.43Å; F573-I585 HydrophobicContact CD2-CG2 3.92Å; F573-Y586 CarbonylContact C-O 3.47Å; F573-Y586 WeakPolarHBondContact CA-O 3.36Å; F573-Y586 WeakPolarHBondContact CB-O 3.41Å; F573-C587 HydrophobicContact CB-CB 4.44Å; F573-A637 HydrophobicContact CE2-CB 3.6Å; F573-A637 HydrophobicContact CZ-CB 3.91Å; F573-T638 WeakPolarHBondContact CZ-O 3.47Å; F573-P643 HydrophobicContact CD1-CB 4.49Å; F573-P643 HydrophobicContact CE1-CB 3.94Å; F573-V645 HydrophobicContact CE2-CG2 3.87Å; F573-L658 HydrophobicContact CD1-CD1 4.31Å; F573-L658 HydrophobicContact CD2-CD1 3.97Å; F573-L658 HydrophobicContact CE1-CD1 4.13Å; F573-L658 HydrophobicContact CE2-CD1 3.77Å; F573-L658 HydrophobicContact CG-CD1 4.24Å; F573-L658 HydrophobicContact CZ-CD1 3.85Å
574	V	97.5	Very high	92.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.1	169.8	60.7	0	0	0	0	108.6	F496 L544 F547 V560 Y586	F496-V574 HydrophobicContact CE1-CG2 4.01Å; F496-V574 HydrophobicContact CE2-CG2 4.42Å; F496-V574 HydrophobicContact CZ-CG2 3.82Å; L544-V574 HydrophobicContact CD1-CB 4.12Å; L544-V574 HydrophobicContact CD1-CG1 4.08Å; L544-V574 HydrophobicContact CD1-CG2 4.39Å; L544-V574 HydrophobicContact CD2-CB 4.37Å; L544-V574 HydrophobicContact CD2-CG1 4.24Å; F547-V574 HydrophobicContact CD1-CG1 4.29Å; F547-V574 HydrophobicContact CD2-CG1 3.55Å; F547-V574 HydrophobicContact CE1-CG1 4.17Å; F547-V574 HydrophobicContact CE1-CG2 4Å; F547-V574 HydrophobicContact CE2-CB 4.44Å; F547-V574 HydrophobicContact CE2-CG1 3.42Å; F547-V574 VanDerWaalsContact CE2-CG1 3.42Å; F547-V574 HydrophobicContact CE2-CG2 4.15Å; F547-V574 HydrophobicContact CG-CG1 4Å; F547-V574 HydrophobicContact CZ-CB 4.35Å; F547-V574 HydrophobicContact CZ-CG1 3.75Å; F547-V574 HydrophobicContact CZ-CG2 3.63Å; V560-V574 HydrophobicContact CG1-CG2 3.7Å; V574-Y586 HydrophobicContact CG1-CD2 4.28Å; V574-Y586 PolarHBondContact N-O 3.46Å; V574-Y586 PolarHBondContact O-N 2.86Å
575	A	97.7	Very high	92.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.9	179.1	0	0	0	0	0	109.9	V560 S561 F573 Y584 I585 F635 A637 V645	V560-A575 WeakPolarHBondContact CA-O 3.41Å; S561-A575 PolarHBondContact N-O 3.11Å; S561-A575 PolarHBondContact O-N 3.27Å; F573-A575 HydrophobicContact CE2-CB 4.43Å; A575-Y584 CarbonylContact C-O 3.59Å; A575-Y584 VanDerWaalsContact CA-O 3.28Å; A575-Y584 WeakPolarHBondContact CA-O 3.47Å; A575-I585 HydrophobicContact CB-CG1 4.17Å; A575-F635 HydrophobicContact CB-CE1 3.88Å; A575-F635 HydrophobicContact CB-CZ 3.5Å; A575-F635 VanDerWaalsContact CB-CZ 3.5Å; A575-F635 WeakPolarHBondContact O-CE1 3.46Å; A575-A637 HydrophobicContact CB-CB 4.46Å; A575-V645 HydrophobicContact CB-CG1 4.39Å; A575-V645 HydrophobicContact CB-CG2 3.72Å
576	V	97.8	Very high	92.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.7	-177.5	-177.2	0	0	0	0	108.2	F547 L551 F559 V560 I583 Y584 Y586	F547-V576 HydrophobicContact CE2-CG2 3.83Å; F547-V576 HydrophobicContact CZ-CG2 3.78Å; L551-V576 HydrophobicContact CD1-CB 4.48Å; L551-V576 HydrophobicContact CD1-CG1 3.81Å; L551-V576 HydrophobicContact CD1-CG2 3.81Å; F559-V576 CarbonylContact O-C 3.29Å; F559-V576 WeakPolarHBondContact O-CA 3.11Å; V560-V576 HydrophobicContact CG1-CG2 4.32Å; V560-V576 HydrophobicContact CG2-CG1 4.25Å; V560-V576 HydrophobicContact CG2-CG2 4.24Å; V576-I583 CarbonylContact O-C 3.5Å; V576-I583 VanDerWaalsContact O-CA 3.31Å; V576-I583 WeakPolarHBondContact O-CA 3.49Å; V576-Y584 HydrophobicContact CB-CD2 4.45Å; V576-Y584 PolarHBondContact N-O 2.96Å; V576-Y584 PolarHBondContact O-N 2.78Å; V576-Y586 HydrophobicContact CG2-CD2 4.32Å; V576-Y586 HydrophobicContact CG2-CE2 3.94Å
577	A	96.7	Very high	92.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.6	171.2	0	0	0	0	0	110.4	R558 F559 I583 I632 F635	R558-A577 PolarHBondContact N-O 2.91Å; F559-A577 HydrophobicContact CB-CB 4.4Å; F559-A577 PolarHBondContact N-O 2.84Å; F559-A577 PolarHBondContact O-N 3.39Å; A577-I583 HydrophobicContact CB-CG1 4.37Å; A577-I632 HydrophobicContact CB-CD1 3.92Å; A577-I632 HydrophobicContact CB-CG2 4.35Å; A577-F635 HydrophobicContact CB-CD1 4.49Å; A577-F635 HydrophobicContact CB-CD2 3.62Å; A577-F635 HydrophobicContact CB-CE2 3.65Å; A577-F635 HydrophobicContact CB-CG 4.05Å; A577-F635 HydrophobicContact CB-CZ 4.09Å
578	D	93.2	Very high	92.8	Very high	20 Å²	20	39.8 Å²	39.8	11%	0.107	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-170.3	163	73	13.8	0	0	0	111.3	D556 T580 R581 R582	D556-D578 HydrophobicContact CB-CB 4.45Å; D556-D578 VanDerWaalsContact O-CA 3.31Å; D556-D578 WeakPolarHBondContact O-CA 3.24Å; D578-T580 PolarHBondContact O-N 3.15Å; D578-T580 PolarHBondContact OD1-N 3.31Å; D578-R581 PolarHBondContact OD1-N 3.39Å; D578-R582 PolarHBondContact N-O 2.57Å; D578-R582 PolarHBondContact OD1-N 3.18Å; D578-R582 WeakPolarHBondContact OD2-CB 3.41Å; D578-R582 VanDerWaalsContact OD2-CG 3.29Å; D578-R582 WeakPolarHBondContact OD2-CG 3.46Å; D578-R582 PolarHBondContact OD2-N 3.11Å
579	L	89.8	Confident	92.3	Very high	87 Å²	87	37.1 Å²	37.1	46%	0.455	19%	0.187	S	C	.	.	S	Bend	trans	-66.7	-31	-177.7	-69.2	169.4	0	0	0	114.6	D556 R558 P631 I632	D556-L579 PolarHBondContact O-N 3.23Å; R558-L579 HydrophobicContact CB-CD2 4.03Å; R558-L579 HydrophobicContact CG-CD2 4.15Å; L579-P631 CarbonylContact O-C 3.58Å; L579-P631 VanDerWaalsContact O-CA 3.3Å; L579-P631 WeakPolarHBondContact O-CA 3.26Å; L579-I632 PolarHBondContact O-N 3.45Å
580	T	88.1	Confident	91.2	Very high	52 Å²	52	40.1 Å²	40.1	32%	0.319	20%	0.197	S	C	.	.	S	Bend	trans	-143.5	-20.6	-163.3	55.5	0	0	0	0	116.6	D578 N629 D630	D578-T580 PolarHBondContact O-N 3.15Å; D578-T580 PolarHBondContact OD1-N 3.31Å; T580-N629 WeakPolarHBondContact CB-O 3.33Å; T580-N629 WeakPolarHBondContact CG2-O 3.24Å; T580-D630 VanDerWaalsContact O-O 3.06Å
581	R	88.1	Confident	89.3	Confident	107 Å²	107	40.7 Å²	40.7	40%	0.404	20%	0.203	S	C	.	.	S	Bend	trans	-154.1	-43.3	-166.2	-164.5	179.7	179	-156.5	-8.8	117	D578 T625 L626 N629	D578-R581 PolarHBondContact OD1-N 3.39Å; R581-T625 HydrophobicContact CG-CG2 3.76Å; R581-T625 VanDerWaalsContact NH2-CG2 3.3Å; R581-L626 PolarHBondContact O-N 3.2Å; R581-N629 WeakPolarHBondContact CD-OD1 3.39Å
582	R	94.6	Very high	86.9	Confident	128 Å²	128	46.9 Å²	46.9	48%	0.483	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.3	-170.1	-54.9	176.9	175.1	176.5	1.2	110.7	D578 Y584 V624	D578-R582 PolarHBondContact N-O 2.57Å; D578-R582 PolarHBondContact OD1-N 3.18Å; D578-R582 WeakPolarHBondContact OD2-CB 3.41Å; D578-R582 VanDerWaalsContact OD2-CG 3.29Å; D578-R582 WeakPolarHBondContact OD2-CG 3.46Å; D578-R582 PolarHBondContact OD2-N 3.11Å; R582-Y584 HydrophobicContact CB-CE2 3.89Å; R582-Y584 WeakPolarHBondContact CD-OH 3.38Å; R582-V624 WeakPolarHBondContact CA-O 3.27Å
583	I	96.9	Very high	84.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.4	174.6	-60	152.6	0	0	0	107.2	V576 A577 I585 V623 V624 L626 I632 F635 V647 L656	V576-I583 CarbonylContact O-C 3.5Å; V576-I583 VanDerWaalsContact O-CA 3.31Å; V576-I583 WeakPolarHBondContact O-CA 3.49Å; A577-I583 HydrophobicContact CB-CG1 4.37Å; I583-I585 HydrophobicContact CG2-CD1 4.31Å; I583-I585 HydrophobicContact CG2-CG1 4Å; I583-V623 WeakPolarHBondContact O-CA 3.27Å; I583-V624 HydrophobicContact CB-CB 4.34Å; I583-V624 PolarHBondContact N-O 2.78Å; I583-V624 PolarHBondContact O-N 2.84Å; I583-L626 HydrophobicContact CD1-CD1 4.17Å; I583-L626 HydrophobicContact CD1-CD2 3.71Å; I583-L626 HydrophobicContact CD1-CG 3.8Å; I583-I632 HydrophobicContact CG1-CD1 4.45Å; I583-F635 HydrophobicContact CG1-CE2 4.28Å; I583-F635 HydrophobicContact CG2-CE2 3.92Å; I583-F635 HydrophobicContact CG2-CZ 4.12Å; I583-V647 HydrophobicContact CD1-CB 4.42Å; I583-V647 HydrophobicContact CD1-CG1 4.39Å; I583-V647 HydrophobicContact CD1-CG2 3.66Å; I583-V647 HydrophobicContact CG1-CG2 4.47Å; I583-L656 HydrophobicContact CB-CD2 4.41Å; I583-L656 HydrophobicContact CD1-CD1 4.37Å; I583-L656 HydrophobicContact CD1-CD2 3.77Å; I583-L656 HydrophobicContact CG2-CD2 4.14Å
584	Y	96.5	Very high	81.9	Confident	27 Å²	27	51.5 Å²	51.5	11%	0.106	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.5	176.7	-50.2	-91.8	0	0	0	108.3	K554 A575 V576 R582 Y586 H622 V623	K554-Y584 HydrophobicContact CD-CD2 4.37Å; K554-Y584 HydrophobicContact CD-CE1 4.35Å; K554-Y584 HydrophobicContact CD-CE2 4.15Å; A575-Y584 CarbonylContact C-O 3.59Å; A575-Y584 VanDerWaalsContact CA-O 3.28Å; A575-Y584 WeakPolarHBondContact CA-O 3.47Å; V576-Y584 HydrophobicContact CB-CD2 4.45Å; V576-Y584 PolarHBondContact N-O 2.96Å; V576-Y584 PolarHBondContact O-N 2.78Å; R582-Y584 HydrophobicContact CB-CE2 3.89Å; R582-Y584 WeakPolarHBondContact CD-OH 3.38Å; Y584-Y586 WeakPolarHBondContact CB-OH 3.29Å; Y584-H622 CarbonylContact C-O 3.57Å; Y584-H622 WeakPolarHBondContact CA-O 3.38Å; Y584-V623 HydrophobicContact CD1-CG1 4.28Å; Y584-V623 HydrophobicContact CD1-CG2 3.94Å; Y584-V623 HydrophobicContact CE1-CG1 4.12Å; Y584-V623 HydrophobicContact CE1-CG2 4.28Å
585	I	96.6	Very high	79.5	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.1	-177.7	-52.8	-178.1	0	0	0	108.1	I26 F573 A575 I583 Q621 H622 V624 V645 L656 L658	I26-I585 HydrophobicContact CD1-CD1 3.92Å; F573-I585 HydrophobicContact CD2-CG2 3.92Å; A575-I585 HydrophobicContact CB-CG1 4.17Å; I583-I585 HydrophobicContact CG2-CD1 4.31Å; I583-I585 HydrophobicContact CG2-CG1 4Å; I585-Q621 CarbonylContact O-C 3.58Å; I585-Q621 VanDerWaalsContact O-CA 3.23Å; I585-Q621 WeakPolarHBondContact O-CA 3.4Å; I585-H622 HydrophobicContact CB-CB 4.27Å; I585-H622 PolarHBondContact N-O 3.04Å; I585-H622 PolarHBondContact O-N 3.45Å; I585-V624 HydrophobicContact CD1-CG2 4.47Å; I585-V645 HydrophobicContact CD1-CG2 3.97Å; I585-L656 HydrophobicContact CD1-CD2 4.3Å; I585-L658 HydrophobicContact CD1-CD1 4.44Å; I585-L658 HydrophobicContact CD1-CD2 3.43Å; I585-L658 VanDerWaalsContact CD1-CD2 3.43Å; I585-L658 HydrophobicContact CG2-CD1 3.84Å; I585-L658 HydrophobicContact CG2-CD2 4.39Å
586	Y	95.7	Very high	77.3	Confident	1 Å²	1	61.2 Å²	61.2	0%	0.004	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	106.4	-178	-55.9	-78.5	0	0	0	108.6	Y19 F547 V550 K554 F573 V574 V576 Y584 Q621	Y19-Y586 AromaticContact CD1-CD1 3.95Å; Y19-Y586 HydrophobicContact CD1-CD1 3.95Å; Y19-Y586 HydrophobicContact CD2-CD1 4.21Å; Y19-Y586 HydrophobicContact CE1-CD1 4.17Å; Y19-Y586 HydrophobicContact CE1-CG 4.39Å; Y19-Y586 HydrophobicContact CE2-CD1 4.4Å; Y19-Y586 AromaticContact CG-CD1 3.97Å; Y19-Y586 HydrophobicContact CG-CD1 3.97Å; F547-Y586 AromaticContact CD2-CD2 3.94Å; F547-Y586 HydrophobicContact CD2-CD2 3.94Å; F547-Y586 HydrophobicContact CD2-CE2 4.44Å; F547-Y586 HydrophobicContact CD2-CG 4.29Å; F547-Y586 AromaticContact CE2-CD2 3.61Å; F547-Y586 HydrophobicContact CE2-CD2 3.61Å; F547-Y586 AromaticContact CE2-CE2 3.94Å; F547-Y586 HydrophobicContact CE2-CE2 3.94Å; F547-Y586 HydrophobicContact CE2-CG 4.39Å; V550-Y586 HydrophobicContact CG1-CD1 4.11Å; V550-Y586 HydrophobicContact CG1-CE1 3.34Å; V550-Y586 HydrophobicContact CG1-CE2 3.99Å; V550-Y586 WeakPolarHBondContact CG1-OH 3.18Å; K554-Y586 WeakPolarHBondContact CE-OH 3.32Å; F573-Y586 CarbonylContact C-O 3.47Å; F573-Y586 WeakPolarHBondContact CA-O 3.36Å; F573-Y586 WeakPolarHBondContact CB-O 3.41Å; V574-Y586 HydrophobicContact CG1-CD2 4.28Å; V574-Y586 PolarHBondContact N-O 3.46Å; V574-Y586 PolarHBondContact O-N 2.86Å; V576-Y586 HydrophobicContact CG2-CD2 4.32Å; V576-Y586 HydrophobicContact CG2-CE2 3.94Å; Y584-Y586 WeakPolarHBondContact CB-OH 3.29Å; Y586-Q621 HydrophobicContact CD1-CB 3.71Å; Y586-Q621 HydrophobicContact CE1-CB 3.81Å
587	C	92.8	Very high	75.3	Confident	28 Å²	28	62.8 Å²	62.8	19%	0.189	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	137.4	176.7	-51	0	0	0	0	108.7	F573 A619 S620	F573-C587 HydrophobicContact CB-CB 4.44Å; C587-A619 WeakPolarHBondContact O-CB 3.43Å; C587-S620 WeakPolarHBondContact CB-OG 3.29Å; C587-S620 PolarHBondContact N-O 3.42Å
588	Q	87.1	Confident	73.3	Confident	24 Å²	24	67 Å²	67	11%	0.112	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-75.9	152.1	172.1	-66.3	-53.6	-62.9	0	0	110.1	Y19 T543 L544 L571 K572 I590	Y19-Q588 PolarHBondContact OH-NE2 2.8Å; T543-Q588 PolarHBondContact O-OE1 3.16Å; L544-Q588 HydrophobicContact CD2-CG 3.86Å; L571-Q588 VanDerWaalsContact O-CG 3.23Å; L571-Q588 WeakPolarHBondContact O-CG 3.49Å; K572-Q588 PolarHBondContact O-N 3.45Å; Q588-I590 PolarHBondContact O-N 3.31Å
589	P	74.1	Confident	71.5	Confident	33 Å²	33	69.8 Å²	69.8	21%	0.214	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-62.6	136	174	25.6	-29.7	0	0	0	109.7	S591 T597	P589-S591 PolarHBondContact O-N 3.12Å; P589-T597 HydrophobicContact CB-CG2 4.46Å
590	I	62.9	Low	69.7	Low	127 Å²	127	72 Å²	72	65%	0.651	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-71.3	122.6	176.7	-58.9	169.3	0	0	0	107.3	Q588 N592	Q588-I590 PolarHBondContact O-N 3.31Å; I590-N592 PolarHBondContact O-N 3.26Å; I590-N592 VanDerWaalsContact O-N 3.16Å
591	S	51.2	Low	67.8	Low	92 Å²	92	77.6 Å²	77.6	64%	0.643	40%	0.401	S	S	*	.	S	Bend	trans	-64.5	116.5	175.4	46.6	0	0	0	0	110.3	P589	P589-S591 PolarHBondContact O-N 3.12Å
592	N	41	Very low	65.5	Low	137 Å²	137	83.3 Å²	83.3	73%	0.733	42%	0.423	S	S	*	.	S	Bend	trans	82.7	121.9	167.7	-55.6	-33.3	0	0	0	118.6	I590	I590-N592 PolarHBondContact O-N 3.26Å; I590-N592 VanDerWaalsContact O-N 3.16Å
593	N	41.3	Very low	63	Low	168 Å²	168	80.4 Å²	80.4	90%	0.898	42%	0.42	S	S	*	.	S	Bend	trans	88.4	-3	153	-65.6	-15.7	0	0	0	121.6
594	S	40.7	Very low	60.3	Low	50 Å²	50	85.8 Å²	85.8	35%	0.35	45%	0.453	S	S	.	.			trans	-96	109.5	162.5	59.4	0	0	0	0	109.2	D596	S594-D596 PolarHBondContact O-N 3.19Å
595	G	47.7	Very low	57.8	Low	51 Å²	51	89.2 Å²	89.2	53%	0.526	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-60.6	2.8	176	0	0	0	0	0	115.3	T597 E598	G595-T597 VanDerWaalsContact C-N 3.3Å; G595-T597 PolarHBondContact O-N 2.86Å; G595-E598 PolarHBondContact O-N 3.29Å
596	D	51	Low	55.2	Low	152 Å²	152	96.7 Å²	96.7	81%	0.813	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-68.9	-22.8	178.7	-75.7	-20.3	0	0	0	113.6	S594	S594-D596 PolarHBondContact O-N 3.19Å
597	T	55.6	Low	52.6	Low	34 Å²	34	100.9 Å²	100.9	21%	0.209	56%	0.556	C	S	.	*	G	3₁₀ helix	trans	-94.1	-4.6	176.3	53.7	0	0	0	0	113.6	P589 G595 H617 V618	P589-T597 HydrophobicContact CB-CG2 4.46Å; G595-T597 VanDerWaalsContact C-N 3.3Å; G595-T597 PolarHBondContact O-N 2.86Å; T597-H617 WeakPolarHBondContact O-CA 3.48Å; T597-V618 WeakPolarHBondContact CB-O 3.32Å; T597-V618 PolarHBondContact O-N 3Å
598	E	55	Low	50.2	Low	90 Å²	90	104.7 Å²	104.7	42%	0.421	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.7	111.9	-179.5	-70.9	-174.7	-178.1	0	0	110.6	G595 I615	G595-E598 PolarHBondContact O-N 3.29Å; E598-I615 HydrophobicContact CB-CG2 3.89Å; E598-I615 HydrophobicContact CG-CG2 3.74Å
599	L	54.2	Low	48.1	Very low	78 Å²	78	108.1 Å²	108.1	41%	0.408	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.2	125.9	167.3	-65	175	0	0	0	109.3	V616 V618	L599-V616 HydrophobicContact CB-CG2 3.76Å; L599-V616 PolarHBondContact N-O 3.22Å; L599-V616 PolarHBondContact O-N 2.65Å; L599-V616 VanDerWaalsContact O-N 3.16Å; L599-V618 HydrophobicContact CD1-CG1 3.71Å; L599-V618 HydrophobicContact CD1-CG2 4.23Å; L599-V618 HydrophobicContact CG-CG1 4.35Å; L599-V618 HydrophobicContact CG-CG2 4.22Å
600	Q	52.7	Low	46.6	Very low	133 Å²	133	113.4 Å²	113.4	62%	0.621	64%	0.641	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.6	110.4	169.8	-65.6	-174.7	6.8	0	0	109.2	R602	Q600-R602 PolarHBondContact O-N 3.37Å
601	R	48.9	Very low	45.7	Very low	170 Å²	170	115.1 Å²	115.1	64%	0.642	65%	0.647	S	S	*	*			trans	-68.5	115.9	172.6	-166.7	176.3	178.5	-157.1	0.6	109.2	T603	R601-T603 PolarHBondContact O-N 3.19Å
602	R	39.8	Very low	45.6	Very low	226 Å²	226	120.4 Å²	120.4	85%	0.853	66%	0.658	S	S	*	*			trans	-74.5	107.1	164.9	-161.9	179.8	-160.1	-176.8	6	107.2	Q600 T604	Q600-R602 PolarHBondContact O-N 3.37Å; R602-T604 PolarHBondContact O-N 3.35Å; R602-T604 VanDerWaalsContact O-N 3.08Å
603	T	41.8	Very low	46	Very low	68 Å²	68	119.9 Å²	119.9	42%	0.417	65%	0.651	S	S	.	*			trans	-56.8	116.1	175.4	-33.9	0	0	0	0	108.6	R601 A605	R601-T603 PolarHBondContact O-N 3.19Å; T603-A605 PolarHBondContact O-N 2.92Å
604	T	39	Very low	47.1	Very low	113 Å²	113	118 Å²	118	69%	0.693	64%	0.635	S	S	*	*			trans	-58.6	133	172.8	39.3	0	0	0	0	109.2	R602 N606	R602-T604 PolarHBondContact O-N 3.35Å; R602-T604 VanDerWaalsContact O-N 3.08Å; T604-N606 PolarHBondContact O-N 2.74Å
605	A	45.3	Very low	48.4	Very low	99 Å²	99	118.9 Å²	118.9	82%	0.818	64%	0.635	S	S	*	*	S	Bend	trans	-66	21.1	-155.9	0	0	0	0	0	118.8	T603	T603-A605 PolarHBondContact O-N 2.92Å
606	N	42.5	Very low	49.8	Very low	156 Å²	156	117.2 Å²	117.2	83%	0.834	62%	0.615	S	S	*	*			trans	-118.8	35.8	-175.8	-72.5	-0	0	0	0	114	T604	T604-N606 PolarHBondContact O-N 2.74Å
607	S	41	Very low	51.3	Low	89 Å²	89	112.3 Å²	112.3	62%	0.622	59%	0.587	S	S	*	*	S	Bend	trans	-136.2	114.1	170	-42.9	0	0	0	0	109.8
608	S	42.5	Very low	52.6	Low	108 Å²	108	111.3 Å²	111.3	76%	0.755	58%	0.58	S	S	*	*			trans	-50.6	133.3	179.7	46	0	0	0	0	114
609	S	41.4	Very low	54.2	Low	97 Å²	97	107.3 Å²	107.3	68%	0.678	56%	0.563	S	S	*	*	S	Bend	trans	50.4	112.5	153.6	55.1	0	0	0	0	118.9
610	T	42.5	Very low	55.8	Low	144 Å²	144	105.6 Å²	105.6	88%	0.883	56%	0.558	S	S	*	*			trans	68.3	30.9	152.3	46.5	0	0	0	0	119.4
611	Q	44.2	Very low	57.8	Low	163 Å²	163	101.3 Å²	101.3	76%	0.762	54%	0.538	S	S	*	.			trans	-87	114	160.2	-73.2	-172.2	-5.9	0	0	110.4
612	K	48.7	Very low	59.9	Low	203 Å²	203	94.3 Å²	94.3	88%	0.883	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-53.2	138.4	173.8	-73	177.1	176.4	177.4	0	109.8	K614	K612-K614 PolarHBondContact O-N 3.39Å
613	Q	50.7	Low	62.5	Low	126 Å²	126	86.6 Å²	86.6	59%	0.589	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-48	122.8	171.4	-77.9	165.4	-63.8	0	0	109.8
614	K	63.6	Low	65.1	Low	127 Å²	127	83.8 Å²	83.8	55%	0.552	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-85.6	116.7	175.5	-165.4	177.6	-179.5	-174.2	0	108.1	K612	K612-K614 PolarHBondContact O-N 3.39Å
615	I	68.1	Low	67.8	Low	69 Å²	69	81.3 Å²	81.3	35%	0.354	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	129.5	169	-62	171.3	0	0	0	106.5	E598	E598-I615 HydrophobicContact CB-CG2 3.89Å; E598-I615 HydrophobicContact CG-CG2 3.74Å
616	V	77.7	Confident	70.2	Confident	17 Å²	17	76.7 Å²	76.7	10%	0.103	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.4	175.6	-62.3	0	0	0	0	109.3	E17 L599	E17-V616 HydrophobicContact CB-CB 4.26Å; E17-V616 VanDerWaalsContact OE2-CG2 3.31Å; E17-V616 WeakPolarHBondContact OE2-CG2 3.16Å; L599-V616 HydrophobicContact CB-CG2 3.76Å; L599-V616 PolarHBondContact N-O 3.22Å; L599-V616 PolarHBondContact O-N 2.65Å; L599-V616 VanDerWaalsContact O-N 3.16Å
617	H	81.6	Confident	72.6	Confident	48 Å²	48	73.5 Å²	73.5	22%	0.222	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138	179.5	-57.1	155.9	0	0	0	110.1	D13 N15 E17 T597	D13-H617 VanDerWaalsContact CG-ND1 3.31Å; D13-H617 IonicContact OD1-CE1 3.78Å; D13-H617 IonicContact OD1-ND1 3.17Å; D13-H617 PolarHBondContact OD1-ND1 2.78Å; D13-H617 WeakPolarHBondContact OD2-CB 3.5Å; D13-H617 IonicContact OD2-CE1 3.81Å; D13-H617 IonicContact OD2-CG 3.47Å; D13-H617 IonicContact OD2-ND1 2.71Å; D13-H617 PolarHBondContact OD2-ND1 2.67Å; N15-H617 PolarHBondContact O-N 2.85Å; E17-H617 PolarHBondContact N-O 2.85Å; T597-H617 WeakPolarHBondContact O-CA 3.48Å
618	V	84.1	Confident	75.1	Confident	13 Å²	13	70.5 Å²	70.5	8%	0.079	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.5	174.5	-65.5	0	0	0	0	109.8	S18 K20 T597 L599	S18-V618 WeakPolarHBondContact O-CA 3.17Å; K20-V618 HydrophobicContact CG-CB 4.04Å; K20-V618 HydrophobicContact CG-CG1 4.25Å; K20-V618 HydrophobicContact CG-CG2 4.36Å; T597-V618 WeakPolarHBondContact CB-O 3.32Å; T597-V618 PolarHBondContact O-N 3Å; L599-V618 HydrophobicContact CD1-CG1 3.71Å; L599-V618 HydrophobicContact CD1-CG2 4.23Å; L599-V618 HydrophobicContact CG-CG1 4.35Å; L599-V618 HydrophobicContact CG-CG2 4.22Å
619	A	86.9	Confident	77.5	Confident	7 Å²	7	70.8 Å²	70.8	6%	0.058	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	170.7	172	0	0	0	0	0	111.3	F16 S18 Y19 K20 C587	F16-A619 HydrophobicContact CE2-CB 3.7Å; F16-A619 HydrophobicContact CZ-CB 4.17Å; S18-A619 PolarHBondContact O-N 3.2Å; Y19-A619 CarbonylContact C-O 3.6Å; Y19-A619 VanDerWaalsContact CA-O 3.28Å; Y19-A619 WeakPolarHBondContact CA-O 3.37Å; Y19-A619 HydrophobicContact CD1-CB 3.91Å; Y19-A619 HydrophobicContact CE1-CB 3.91Å; K20-A619 PolarHBondContact N-O 3.24Å; C587-A619 WeakPolarHBondContact O-CB 3.43Å
620	S	89.5	Confident	79.9	Confident	42 Å²	42	69.3 Å²	69.3	29%	0.294	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.1	-175.1	63.4	0	0	0	0	111.9	K20 C587	K20-S620 CarbonylContact O-C 3.49Å; K20-S620 WeakPolarHBondContact O-CA 3.41Å; C587-S620 WeakPolarHBondContact CB-OG 3.29Å; C587-S620 PolarHBondContact N-O 3.42Å
621	Q	93	Very high	82.3	Confident	43 Å²	43	65.9 Å²	65.9	20%	0.201	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144	162.7	62.8	178	-46	0	0	110.6	Y19 K20 L21 S22 I585 Y586	Y19-Q621 PolarHBondContact O-NE2 2.79Å; K20-Q621 PolarHBondContact O-N 3.49Å; L21-Q621 HydrophobicContact CB-CG 4.3Å; L21-Q621 HydrophobicContact CD1-CG 4.2Å; S22-Q621 WeakPolarHBondContact CB-O 3.39Å; S22-Q621 PolarHBondContact N-O 3.32Å; I585-Q621 CarbonylContact O-C 3.58Å; I585-Q621 VanDerWaalsContact O-CA 3.23Å; I585-Q621 WeakPolarHBondContact O-CA 3.4Å; Y586-Q621 HydrophobicContact CD1-CB 3.71Å; Y586-Q621 HydrophobicContact CE1-CB 3.81Å
622	H	93.8	Very high	84.7	Confident	22 Å²	22	58.1 Å²	58.1	10%	0.102	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.1	169.3	-59.3	81	0	0	0	109.9	S22 I26 Y584 I585	S22-H622 VanDerWaalsContact CB-CD2 3.45Å; S22-H622 WeakPolarHBondContact CB-CD2 3.4Å; S22-H622 WeakPolarHBondContact CB-NE2 3.34Å; S22-H622 PolarHBondContact OG-CD2 3.1Å; S22-H622 PolarHBondContact OG-NE2 3.13Å; I26-H622 HydrophobicContact CD1-CB 3.44Å; I26-H622 VanDerWaalsContact CD1-CB 3.44Å; Y584-H622 CarbonylContact C-O 3.57Å; Y584-H622 WeakPolarHBondContact CA-O 3.38Å; I585-H622 HydrophobicContact CB-CB 4.27Å; I585-H622 PolarHBondContact N-O 3.04Å; I585-H622 PolarHBondContact O-N 3.45Å
623	V	94.7	Very high	86.8	Confident	65 Å²	65	49 Å²	49	39%	0.394	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.4	173.3	-174.8	0	0	0	0	107.9	L21 I583 Y584	L21-V623 HydrophobicContact CD1-CG2 3.82Å; I583-V623 WeakPolarHBondContact O-CA 3.27Å; Y584-V623 HydrophobicContact CD1-CG1 4.28Å; Y584-V623 HydrophobicContact CD1-CG2 3.94Å; Y584-V623 HydrophobicContact CE1-CG1 4.12Å; Y584-V623 HydrophobicContact CE1-CG2 4.28Å
624	V	95.4	Very high	89	Confident	8 Å²	8	43 Å²	43	5%	0.048	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.7	177.5	-173	0	0	0	0	108.6	I26 I28 R582 I583 I585 L656	I26-V624 HydrophobicContact CB-CG2 3.8Å; I26-V624 HydrophobicContact CD1-CG2 3.65Å; I26-V624 HydrophobicContact CG1-CG2 4.25Å; I26-V624 HydrophobicContact CG2-CG2 4.06Å; I28-V624 HydrophobicContact CD1-CG1 3.62Å; I28-V624 HydrophobicContact CG1-CG1 3.92Å; R582-V624 WeakPolarHBondContact CA-O 3.27Å; I583-V624 HydrophobicContact CB-CB 4.34Å; I583-V624 PolarHBondContact N-O 2.78Å; I583-V624 PolarHBondContact O-N 2.84Å; I585-V624 HydrophobicContact CD1-CG2 4.47Å; V624-L656 HydrophobicContact CB-CD2 3.83Å; V624-L656 HydrophobicContact CG1-CD2 3.69Å; V624-L656 HydrophobicContact CG1-CG 4.22Å; V624-L656 HydrophobicContact CG2-CD2 3.94Å
625	T	95.8	Very high	90.6	Very high	61 Å²	61	36.9 Å²	36.9	37%	0.374	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.4	-179.1	-63.4	0	0	0	0	107.8	R581	R581-T625 HydrophobicContact CG-CG2 3.76Å; R581-T625 VanDerWaalsContact NH2-CG2 3.3Å
626	L	95.9	Very high	92	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	20%	0.197	C	C	.	.			trans	-62.5	152.1	176.5	-66.6	-177.3	0	0	0	111.2	R581 I583 T628 I632 V647 Y654	R581-L626 PolarHBondContact O-N 3.2Å; I583-L626 HydrophobicContact CD1-CD1 4.17Å; I583-L626 HydrophobicContact CD1-CD2 3.71Å; I583-L626 HydrophobicContact CD1-CG 3.8Å; L626-T628 PolarHBondContact O-N 2.85Å; L626-I632 HydrophobicContact CD1-CD1 3.85Å; L626-I632 HydrophobicContact CD1-CG1 3.94Å; L626-V647 HydrophobicContact CD1-CG1 4.04Å; L626-Y654 HydrophobicContact CD1-CD2 4.22Å; L626-Y654 HydrophobicContact CD1-CE2 4.35Å; L626-Y654 HydrophobicContact CD2-CD1 4.39Å; L626-Y654 HydrophobicContact CD2-CD2 4.04Å; L626-Y654 HydrophobicContact CD2-CG 3.96Å
627	P	93.8	Very high	93	Very high	90 Å²	90	33.1 Å²	33.1	58%	0.584	19%	0.193	S	C	*	.	S	Bend	trans	-72.8	-12	179.2	30.1	-35.5	0	0	0	113.4	Y654	P627-Y654 HydrophobicContact CG-CE1 3.72Å
628	T	93.1	Very high	93.7	Very high	26 Å²	26	30.9 Å²	30.9	16%	0.16	18%	0.182	C	C	.	.			trans	-112.7	165.1	178.9	-172.9	0	0	0	0	111.8	L626 D630 T649 Y654	L626-T628 PolarHBondContact O-N 2.85Å; T628-D630 HydrophobicContact CG2-CB 4.09Å; T628-D630 PolarHBondContact OG1-N 3.38Å; T628-D630 VanDerWaalsContact OG1-N 3.09Å; T628-D630 PolarHBondContact OG1-OD2 2.88Å; T628-T649 HydrophobicContact CG2-CG2 3.97Å; T628-Y654 HydrophobicContact CG2-CE2 4.21Å; T628-Y654 WeakPolarHBondContact CG2-OH 3.12Å
629	N	92.3	Very high	94.1	Very high	113 Å²	113	31.4 Å²	31.4	60%	0.604	19%	0.185	S	C	*	.			trans	-107.3	10.2	167.8	-63.6	-41	0	0	0	111.8	T580 R581	T580-N629 WeakPolarHBondContact CB-O 3.33Å; T580-N629 WeakPolarHBondContact CG2-O 3.24Å; R581-N629 WeakPolarHBondContact CD-OD1 3.39Å
630	D	92.9	Very high	94.4	Very high	67 Å²	67	36.2 Å²	36.2	36%	0.358	21%	0.205	S	C	.	.	S	Bend	trans	-64.3	144.1	177.9	-61.8	-39.3	0	0	0	110.4	T580 T628 I632 T649	T580-D630 VanDerWaalsContact O-O 3.06Å; T628-D630 HydrophobicContact CG2-CB 4.09Å; T628-D630 PolarHBondContact OG1-N 3.38Å; T628-D630 VanDerWaalsContact OG1-N 3.09Å; T628-D630 PolarHBondContact OG1-OD2 2.88Å; D630-I632 PolarHBondContact O-N 2.85Å; D630-T649 HydrophobicContact CB-CG2 3.8Å
631	P	92.4	Very high	94.7	Very high	71 Å²	71	36.4 Å²	36.4	46%	0.461	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-55.4	129.6	177.5	-25.5	34.4	0	0	0	112.4	L579 I633	L579-P631 CarbonylContact O-C 3.58Å; L579-P631 VanDerWaalsContact O-CA 3.3Å; L579-P631 WeakPolarHBondContact O-CA 3.26Å; P631-I633 PolarHBondContact O-N 3.47Å
632	I	94.4	Very high	94.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-71.4	119.8	170.2	-64	173.1	0	0	0	106.8	R558 F559 A577 L579 I583 L626 D630 V647	R558-I632 WeakPolarHBondContact CD-O 2.99Å; R558-I632 VanDerWaalsContact CZ-O 3.27Å; R558-I632 PolarHBondContact NE-O 2.81Å; R558-I632 PolarHBondContact NH1-O 3.48Å; F559-I632 HydrophobicContact CD2-CG2 3.95Å; F559-I632 HydrophobicContact CE2-CG2 4.05Å; F559-I632 WeakPolarHBondContact CE2-O 3.3Å; A577-I632 HydrophobicContact CB-CD1 3.92Å; A577-I632 HydrophobicContact CB-CG2 4.35Å; L579-I632 PolarHBondContact O-N 3.45Å; I583-I632 HydrophobicContact CG1-CD1 4.45Å; L626-I632 HydrophobicContact CD1-CD1 3.85Å; L626-I632 HydrophobicContact CD1-CG1 3.94Å; D630-I632 PolarHBondContact O-N 2.85Å; I632-V647 HydrophobicContact CB-CG1 4.35Å; I632-V647 HydrophobicContact CD1-CG1 4.06Å; I632-V647 HydrophobicContact CG1-CG1 3.99Å; I632-V647 HydrophobicContact CG2-CG1 3.5Å
633	I	93.6	Very high	94.9	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.056	20%	0.201	C	C	.	.			trans	-113.3	-12	-177.3	57	163.6	0	0	0	113	I37 C39 C59 P631 C648 Q650	I37-I633 HydrophobicContact CB-CD1 4Å; I37-I633 HydrophobicContact CG2-CD1 3.8Å; C39-I633 HydrophobicContact CB-CB 4Å; C39-I633 HydrophobicContact CB-CD1 3.51Å; C39-I633 HydrophobicContact CB-CG1 4.34Å; C39-I633 HydrophobicContact CB-CG2 4.06Å; C39-I633 VanDerWaalsContact SG-CG2 3.6Å; C59-I633 PolarHBondContact N-O 2.65Å; C59-I633 VanDerWaalsContact N-O 3.09Å; P631-I633 PolarHBondContact O-N 3.47Å; I633-C648 WeakPolarHBondContact CG1-O 3.23Å; I633-C648 PolarHBondContact N-O 3.09Å; I633-Q650 HydrophobicContact CD1-CB 4.34Å
634	G	95.9	Very high	95	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	145.2	174	0	0	0	0	0	112	N58 V647 C648	N58-G634 WeakPolarHBondContact OD1-CA 3.48Å; G634-V647 CarbonylContact O-C 3.46Å; G634-V647 WeakPolarHBondContact O-CA 3.32Å; G634-C648 WeakPolarHBondContact CA-SG 3.28Å; G634-C648 PolarHBondContact N-O 3.28Å; G634-C648 PolarHBondContact N-SG 3.13Å; G634-C648 VanDerWaalsContact N-SG 3.42Å; G634-C648 PolarHBondContact O-N 2.77Å
635	F	97.8	Very high	95.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	120.3	-168.2	-172.6	-102.6	0	0	0	111.6	N58 F559 A575 A577 I583 V645 L646 V647	N58-F635 PolarHBondContact ND2-O 2.8Å; N58-F635 PolarHBondContact OD1-N 2.81Å; F559-F635 HydrophobicContact CB-CB 3.58Å; F559-F635 HydrophobicContact CB-CD1 3.61Å; F559-F635 HydrophobicContact CB-CG 3.78Å; F559-F635 HydrophobicContact CD2-CB 3.7Å; F559-F635 HydrophobicContact CG-CB 3.71Å; F559-F635 HydrophobicContact CG-CG 4.43Å; A575-F635 HydrophobicContact CB-CE1 3.88Å; A575-F635 HydrophobicContact CB-CZ 3.5Å; A575-F635 VanDerWaalsContact CB-CZ 3.5Å; A575-F635 WeakPolarHBondContact O-CE1 3.46Å; A577-F635 HydrophobicContact CB-CD1 4.49Å; A577-F635 HydrophobicContact CB-CD2 3.62Å; A577-F635 HydrophobicContact CB-CE2 3.65Å; A577-F635 HydrophobicContact CB-CG 4.05Å; A577-F635 HydrophobicContact CB-CZ 4.09Å; I583-F635 HydrophobicContact CG1-CE2 4.28Å; I583-F635 HydrophobicContact CG2-CE2 3.92Å; I583-F635 HydrophobicContact CG2-CZ 4.12Å; F635-V645 HydrophobicContact CD2-CG1 4.06Å; F635-V645 HydrophobicContact CE1-CG1 4.48Å; F635-V645 HydrophobicContact CE2-CG1 3.34Å; F635-V645 HydrophobicContact CZ-CG1 3.62Å; F635-L646 WeakPolarHBondContact CA-O 3.26Å; F635-V647 HydrophobicContact CD2-CB 4.38Å; F635-V647 HydrophobicContact CD2-CG1 4.18Å; F635-V647 HydrophobicContact CD2-CG2 3.59Å; F635-V647 HydrophobicContact CE2-CG2 3.74Å
636	V	97.8	Very high	95.2	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.024	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	131.3	-178.6	162.5	0	0	0	0	109.5	L60 V62 V70 V645 L646	L60-V636 HydrophobicContact CB-CB 4.43Å; L60-V636 HydrophobicContact CB-CG2 3.62Å; V62-V636 HydrophobicContact CB-CG1 3.76Å; V62-V636 HydrophobicContact CG1-CG1 4.14Å; V62-V636 HydrophobicContact CG2-CG1 4.31Å; V70-V636 HydrophobicContact CG2-CG1 4.39Å; V636-V645 CarbonylContact O-C 3.5Å; V636-V645 WeakPolarHBondContact O-CA 3.42Å; V636-L646 PolarHBondContact N-O 2.91Å; V636-L646 PolarHBondContact O-N 3.25Å
637	A	97.9	Very high	95.3	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.017	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.7	163.9	0	0	0	0	0	110.1	S561 F573 A575 V645	S561-A637 WeakPolarHBondContact O-CB 3.15Å; S561-A637 PolarHBondContact OG-N 2.78Å; F573-A637 HydrophobicContact CE2-CB 3.6Å; F573-A637 HydrophobicContact CZ-CB 3.91Å; A575-A637 HydrophobicContact CB-CB 4.46Å; A637-V645 HydrophobicContact CB-CG2 4.39Å
638	T	96.2	Very high	95.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	163.2	177.4	-177.4	0	0	0	0	110.7	T67 F573 K640 P643 S644 L646	T67-T638 WeakPolarHBondContact CB-OG1 3.45Å; T67-T638 WeakPolarHBondContact O-CB 3.2Å; T67-T638 PolarHBondContact O-OG1 3.29Å; T67-T638 PolarHBondContact OG1-OG1 3.17Å; F573-T638 WeakPolarHBondContact CZ-O 3.47Å; T638-K640 PolarHBondContact OG1-N 2.91Å; T638-P643 WeakPolarHBondContact O-CA 3.43Å; T638-S644 WeakPolarHBondContact CG2-OG 3.39Å; T638-S644 PolarHBondContact N-O 2.72Å; T638-S644 PolarHBondContact O-N 3.31Å; T638-S644 VanDerWaalsContact O-O 3.08Å; T638-L646 HydrophobicContact CG2-CD1 3.98Å
639	D	93.6	Very high	95.5	Very high	25 Å²	25	23.2 Å²	23.2	13%	0.134	13%	0.127	C	C	.	.			trans	-123.8	4	179.2	74.5	-27	0	0	0	114.4	T67 P563 K572 Y642	T67-D639 PolarHBondContact OG1-OD1 2.91Å; P563-D639 HydrophobicContact CB-CB 3.99Å; P563-D639 HydrophobicContact CG-CB 4.07Å; K572-D639 IonicContact NZ-OD2 2.85Å; K572-D639 PolarHBondContact NZ-OD2 2.84Å; D639-Y642 CarbonylContact C-O 3.55Å; D639-Y642 CarbonylContact O-C 3.59Å
640	K	93.3	Very high	95.5	Very high	108 Å²	108	23.3 Å²	23.3	47%	0.47	12%	0.124	S	C	.	.	S	Bend	trans	-122	142.1	172.2	-65	-175.4	-180	174.9	0	111.7	T67 T638	T67-K640 WeakPolarHBondContact OG1-CB 3.37Å; T67-K640 WeakPolarHBondContact OG1-CG 3.45Å; T638-K640 PolarHBondContact OG1-N 2.91Å
641	P	94.5	Very high	95.6	Very high	45 Å²	45	22.6 Å²	22.6	29%	0.292	12%	0.124	S	C	.	.	S	Bend	cis	-69.7	-11.7	-5.9	27.5	-30	0	0	0	113.3	V84	V84-P641 HydrophobicContact CG1-CG 4.48Å
642	Y	95.4	Very high	95.8	Very high	7 Å²	7	20 Å²	20	3%	0.027	11%	0.107	C	C	.	.	S	Bend	trans	-147	162	174.5	47.2	-100.3	0	0	0	110.7	P85 Q86 P88 D639 S644 L655 D659	P85-Y642 WeakPolarHBondContact O-CE1 3.41Å; P85-Y642 PolarHBondContact O-OH 2.82Å; Q86-Y642 WeakPolarHBondContact O-CE1 3.32Å; P88-Y642 VanDerWaalsContact CA-OH 3.29Å; P88-Y642 WeakPolarHBondContact CA-OH 3.43Å; P88-Y642 WeakPolarHBondContact CB-OH 3.41Å; P88-Y642 HydrophobicContact CG-CE1 3.96Å; P88-Y642 HydrophobicContact CG-CE2 4.11Å; P88-Y642 VanDerWaalsContact CG-OH 3.25Å; P88-Y642 WeakPolarHBondContact CG-OH 3.38Å; D639-Y642 CarbonylContact C-O 3.55Å; D639-Y642 CarbonylContact O-C 3.59Å; Y642-S644 PolarHBondContact O-N 2.88Å; Y642-S644 VanDerWaalsContact O-N 3.14Å; Y642-S644 PolarHBondContact O-OG 3.37Å; Y642-L655 WeakPolarHBondContact OH-CD2 3.35Å; Y642-D659 WeakPolarHBondContact CB-OD2 3.33Å
643	P	95.3	Very high	95.9	Very high	32 Å²	32	20 Å²	20	21%	0.208	11%	0.107	C	C	.	.	S	Bend	trans	-50.6	115.6	170.3	-28.9	38.2	0	0	0	112.5	F573 T638 L658 D659	F573-P643 HydrophobicContact CD1-CB 4.49Å; F573-P643 HydrophobicContact CE1-CB 3.94Å; T638-P643 WeakPolarHBondContact O-CA 3.43Å; P643-L658 HydrophobicContact CB-CB 4.02Å; P643-L658 HydrophobicContact CB-CD1 4.23Å; P643-L658 HydrophobicContact CB-CG 4.48Å; P643-L658 VanDerWaalsContact O-CB 3.32Å; P643-L658 WeakPolarHBondContact O-CB 3.37Å; P643-L658 WeakPolarHBondContact O-CG 3.34Å; P643-L658 PolarHBondContact O-N 3.32Å; P643-D659 WeakPolarHBondContact CD-OD1 3.48Å
644	S	96.9	Very high	96.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	160	-177.1	52.7	0	0	0	0	113	T638 Y642 L656	T638-S644 WeakPolarHBondContact CG2-OG 3.39Å; T638-S644 PolarHBondContact N-O 2.72Å; T638-S644 PolarHBondContact O-N 3.31Å; T638-S644 VanDerWaalsContact O-O 3.08Å; Y642-S644 PolarHBondContact O-N 2.88Å; Y642-S644 VanDerWaalsContact O-N 3.14Å; Y642-S644 PolarHBondContact O-OG 3.37Å; S644-L656 CarbonylContact C-O 3.57Å; S644-L656 WeakPolarHBondContact CA-O 3.35Å; S644-L656 VanDerWaalsContact CB-O 3.25Å; S644-L656 WeakPolarHBondContact CB-O 3.27Å
645	V	98.1	Very high	96.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.6	174.9	-179.2	0	0	0	0	108.7	F573 A575 I585 F635 V636 A637 V647 L656	F573-V645 HydrophobicContact CE2-CG2 3.87Å; A575-V645 HydrophobicContact CB-CG1 4.39Å; A575-V645 HydrophobicContact CB-CG2 3.72Å; I585-V645 HydrophobicContact CD1-CG2 3.97Å; F635-V645 HydrophobicContact CD2-CG1 4.06Å; F635-V645 HydrophobicContact CE1-CG1 4.48Å; F635-V645 HydrophobicContact CE2-CG1 3.34Å; F635-V645 HydrophobicContact CZ-CG1 3.62Å; V636-V645 CarbonylContact O-C 3.5Å; V636-V645 WeakPolarHBondContact O-CA 3.42Å; A637-V645 HydrophobicContact CB-CG2 4.39Å; V645-V647 HydrophobicContact CG1-CG2 3.82Å; V645-L656 HydrophobicContact CB-CB 4.19Å; V645-L656 PolarHBondContact N-O 3.21Å; V645-L656 PolarHBondContact O-N 2.85Å
646	L	98.1	Very high	96.2	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.9	171.9	-75.9	81.1	0	0	0	109.2	L60 V70 I82 V84 F91 F635 V636 T638 Y654 L655	L60-L646 HydrophobicContact CD1-CB 3.98Å; V70-L646 HydrophobicContact CB-CD2 4.13Å; V70-L646 HydrophobicContact CG1-CD2 4.31Å; V70-L646 HydrophobicContact CG2-CD2 4.05Å; I82-L646 HydrophobicContact CD1-CD2 4.4Å; I82-L646 HydrophobicContact CG2-CD2 4.05Å; V84-L646 HydrophobicContact CG2-CD1 3.83Å; V84-L646 HydrophobicContact CG2-CD2 4.13Å; F91-L646 HydrophobicContact CE2-CD2 4.27Å; F635-L646 WeakPolarHBondContact CA-O 3.26Å; V636-L646 PolarHBondContact N-O 2.91Å; V636-L646 PolarHBondContact O-N 3.25Å; T638-L646 HydrophobicContact CG2-CD1 3.98Å; L646-Y654 CarbonylContact C-O 3.39Å; L646-Y654 WeakPolarHBondContact CA-O 3.48Å; L646-L655 HydrophobicContact CD1-CD1 3.51Å; L646-L655 HydrophobicContact CG-CD1 3.8Å
647	V	97.8	Very high	96	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.4	-178.3	-168.5	0	0	0	0	108.8	I583 L626 I632 G634 F635 V645 L653 Y654 L656	I583-V647 HydrophobicContact CD1-CB 4.42Å; I583-V647 HydrophobicContact CD1-CG1 4.39Å; I583-V647 HydrophobicContact CD1-CG2 3.66Å; I583-V647 HydrophobicContact CG1-CG2 4.47Å; L626-V647 HydrophobicContact CD1-CG1 4.04Å; I632-V647 HydrophobicContact CB-CG1 4.35Å; I632-V647 HydrophobicContact CD1-CG1 4.06Å; I632-V647 HydrophobicContact CG1-CG1 3.99Å; I632-V647 HydrophobicContact CG2-CG1 3.5Å; G634-V647 CarbonylContact O-C 3.46Å; G634-V647 WeakPolarHBondContact O-CA 3.32Å; F635-V647 HydrophobicContact CD2-CB 4.38Å; F635-V647 HydrophobicContact CD2-CG1 4.18Å; F635-V647 HydrophobicContact CD2-CG2 3.59Å; F635-V647 HydrophobicContact CE2-CG2 3.74Å; V645-V647 HydrophobicContact CG1-CG2 3.82Å; V647-L653 CarbonylContact O-C 3.49Å; V647-Y654 PolarHBondContact N-O 2.92Å; V647-Y654 PolarHBondContact O-N 2.73Å; V647-L656 HydrophobicContact CG2-CD1 4.26Å
648	C	96.6	Very high	95.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.3	176.2	79.7	0	0	0	0	113	I37 L60 I633 G634 T652 L653	I37-C648 HydrophobicContact CD1-CB 3.63Å; L60-C648 HydrophobicContact CD1-CB 4.25Å; L60-C648 HydrophobicContact CD2-CB 4.27Å; L60-C648 HydrophobicContact CG-CB 4.34Å; I633-C648 WeakPolarHBondContact CG1-O 3.23Å; I633-C648 PolarHBondContact N-O 3.09Å; G634-C648 WeakPolarHBondContact CA-SG 3.28Å; G634-C648 PolarHBondContact N-O 3.28Å; G634-C648 PolarHBondContact N-SG 3.13Å; G634-C648 VanDerWaalsContact N-SG 3.42Å; G634-C648 PolarHBondContact O-N 2.77Å; C648-T652 WeakPolarHBondContact CA-O 3.36Å; C648-L653 HydrophobicContact CB-CD2 3.53Å; C648-L653 HydrophobicContact CB-CG 4.39Å
649	T	95	Very high	94.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.			trans	-104.8	178.3	164	69.7	0	0	0	0	108	I37 T628 D630 S651 T652 Y654	I37-T649 WeakPolarHBondContact CD1-O 3.48Å; T628-T649 HydrophobicContact CG2-CG2 3.97Å; D630-T649 HydrophobicContact CB-CG2 3.8Å; T649-S651 PolarHBondContact O-N 3.18Å; T649-S651 VanDerWaalsContact O-N 3.1Å; T649-S651 PolarHBondContact OG1-N 3.26Å; T649-S651 PolarHBondContact OG1-OG 3.31Å; T649-T652 PolarHBondContact N-O 3.24Å; T649-T652 PolarHBondContact OG1-N 3.36Å; T649-T652 PolarHBondContact OG1-O 3.22Å; T649-Y654 HydrophobicContact CG2-CE2 4.07Å
650	Q	92.5	Very high	92.9	Very high	116 Å²	116	31.5 Å²	31.5	54%	0.542	20%	0.2	S	C	.	.	S	Bend	trans	-61.2	-22.4	179	-164.6	173.5	-1.5	0	0	113.3	G36 I37 I633	G36-Q650 CarbonylContact C-O 3.51Å; G36-Q650 WeakPolarHBondContact CA-O 3.14Å; I37-Q650 PolarHBondContact N-O 3.38Å; I633-Q650 HydrophobicContact CD1-CB 4.34Å
651	S	93.8	Very high	92.9	Very high	52 Å²	52	27.7 Å²	27.7	36%	0.364	19%	0.187	S	C	.	.	S	Bend	trans	-112.8	-24.6	-175.1	61.2	0	0	0	0	114.3	S33 T649	S33-S651 PolarHBondContact N-O 2.88Å; T649-S651 PolarHBondContact O-N 3.18Å; T649-S651 VanDerWaalsContact O-N 3.1Å; T649-S651 PolarHBondContact OG1-N 3.26Å; T649-S651 PolarHBondContact OG1-OG 3.31Å
652	T	96.4	Very high	92.8	Very high	16 Å²	16	26.8 Å²	26.8	10%	0.098	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.7	-164.8	-50.5	0	0	0	0	112	E30 C648 T649 Y654	E30-T652 HydrophobicContact CB-CG2 4.23Å; C648-T652 WeakPolarHBondContact CA-O 3.36Å; T649-T652 PolarHBondContact N-O 3.24Å; T649-T652 PolarHBondContact OG1-N 3.36Å; T649-T652 PolarHBondContact OG1-O 3.22Å; T652-Y654 HydrophobicContact CG2-CD1 4.3Å; T652-Y654 HydrophobicContact CG2-CD2 4.47Å; T652-Y654 HydrophobicContact CG2-CE1 3.66Å; T652-Y654 HydrophobicContact CG2-CE2 3.86Å; T652-Y654 VanDerWaalsContact CG2-CZ 3.41Å; T652-Y654 WeakPolarHBondContact CG2-OH 3.46Å
653	L	97.7	Very high	92.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141.7	169.4	-71.2	157.4	0	0	0	109.5	E30 A31 I37 L60 Y72 I82 F91 Q93 V647 C648	E30-L653 CarbonylContact C-O 3.38Å; E30-L653 VanDerWaalsContact CA-O 3.31Å; E30-L653 WeakPolarHBondContact CA-O 3.41Å; A31-L653 HydrophobicContact CB-CB 4.43Å; A31-L653 PolarHBondContact N-O 2.68Å; A31-L653 PolarHBondContact O-N 2.75Å; I37-L653 HydrophobicContact CD1-CD2 3.91Å; I37-L653 HydrophobicContact CD1-CG 3.99Å; L60-L653 HydrophobicContact CD2-CD2 4.11Å; Y72-L653 HydrophobicContact CE1-CD1 3.75Å; I82-L653 HydrophobicContact CD1-CD1 3.75Å; I82-L653 HydrophobicContact CD1-CD2 3.72Å; I82-L653 HydrophobicContact CD1-CG 4.34Å; F91-L653 HydrophobicContact CE1-CB 3.97Å; F91-L653 HydrophobicContact CZ-CB 3.88Å; Q93-L653 HydrophobicContact CB-CD1 4.29Å; V647-L653 CarbonylContact O-C 3.49Å; C648-L653 HydrophobicContact CB-CD2 3.53Å; C648-L653 HydrophobicContact CB-CG 4.39Å
654	Y	97.6	Very high	92.5	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.027	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.5	176.6	-58.1	-77.4	0	0	0	110	I28 Y29 E30 L626 P627 T628 L646 V647 T649 T652	I28-Y654 HydrophobicContact CG2-CD1 3.76Å; I28-Y654 HydrophobicContact CG2-CG 4.4Å; Y29-Y654 CarbonylContact O-C 2.98Å; Y29-Y654 VanDerWaalsContact O-CA 3.28Å; Y29-Y654 WeakPolarHBondContact O-CA 3.45Å; E30-Y654 HydrophobicContact CB-CD1 3.85Å; E30-Y654 HydrophobicContact CB-CE1 3.85Å; L626-Y654 HydrophobicContact CD1-CD2 4.22Å; L626-Y654 HydrophobicContact CD1-CE2 4.35Å; L626-Y654 HydrophobicContact CD2-CD1 4.39Å; L626-Y654 HydrophobicContact CD2-CD2 4.04Å; L626-Y654 HydrophobicContact CD2-CG 3.96Å; P627-Y654 HydrophobicContact CG-CE1 3.72Å; T628-Y654 HydrophobicContact CG2-CE2 4.21Å; T628-Y654 WeakPolarHBondContact CG2-OH 3.12Å; L646-Y654 CarbonylContact C-O 3.39Å; L646-Y654 WeakPolarHBondContact CA-O 3.48Å; V647-Y654 PolarHBondContact N-O 2.92Å; V647-Y654 PolarHBondContact O-N 2.73Å; T649-Y654 HydrophobicContact CG2-CE2 4.07Å; T652-Y654 HydrophobicContact CG2-CD1 4.3Å; T652-Y654 HydrophobicContact CG2-CD2 4.47Å; T652-Y654 HydrophobicContact CG2-CE1 3.66Å; T652-Y654 HydrophobicContact CG2-CE2 3.86Å; T652-Y654 VanDerWaalsContact CG2-CZ 3.41Å; T652-Y654 WeakPolarHBondContact CG2-OH 3.46Å
655	L	97.9	Very high	92.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.5	170.2	176.7	69.6	0	0	0	109.1	Y29 V84 P85 P88 F91 Y642 L646	Y29-L655 PolarHBondContact N-O 3.38Å; Y29-L655 PolarHBondContact O-N 2.89Å; V84-L655 HydrophobicContact CG1-CD1 4.11Å; V84-L655 HydrophobicContact CG1-CD2 4.36Å; P85-L655 HydrophobicContact CG-CD2 4.49Å; P88-L655 HydrophobicContact CB-CD2 4.45Å; F91-L655 HydrophobicContact CB-CB 4.39Å; F91-L655 HydrophobicContact CB-CD2 3.93Å; F91-L655 HydrophobicContact CD1-CB 3.74Å; F91-L655 HydrophobicContact CD2-CB 3.73Å; F91-L655 HydrophobicContact CD2-CD2 3.69Å; F91-L655 HydrophobicContact CD2-CG 4.27Å; F91-L655 HydrophobicContact CE1-CB 3.82Å; F91-L655 HydrophobicContact CE2-CB 3.81Å; F91-L655 HydrophobicContact CE2-CD2 4.38Å; F91-L655 HydrophobicContact CG-CB 3.68Å; F91-L655 HydrophobicContact CG-CD2 3.89Å; F91-L655 HydrophobicContact CG-CG 4.45Å; F91-L655 HydrophobicContact CZ-CB 3.84Å; Y642-L655 WeakPolarHBondContact OH-CD2 3.35Å; L646-L655 HydrophobicContact CD1-CD1 3.51Å; L646-L655 HydrophobicContact CG-CD1 3.8Å
656	L	97.4	Very high	91.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	110.6	173.6	-74.6	63.7	0	0	0	107.6	I26 I28 I583 I585 V624 S644 V645 V647	I26-L656 HydrophobicContact CG2-CB 3.86Å; I26-L656 HydrophobicContact CG2-CG 4.22Å; I28-L656 HydrophobicContact CG1-CG 4.44Å; I583-L656 HydrophobicContact CB-CD2 4.41Å; I583-L656 HydrophobicContact CD1-CD1 4.37Å; I583-L656 HydrophobicContact CD1-CD2 3.77Å; I583-L656 HydrophobicContact CG2-CD2 4.14Å; I585-L656 HydrophobicContact CD1-CD2 4.3Å; V624-L656 HydrophobicContact CB-CD2 3.83Å; V624-L656 HydrophobicContact CG1-CD2 3.69Å; V624-L656 HydrophobicContact CG1-CG 4.22Å; V624-L656 HydrophobicContact CG2-CD2 3.94Å; S644-L656 CarbonylContact C-O 3.57Å; S644-L656 WeakPolarHBondContact CA-O 3.35Å; S644-L656 VanDerWaalsContact CB-O 3.25Å; S644-L656 WeakPolarHBondContact CB-O 3.27Å; V645-L656 HydrophobicContact CB-CB 4.19Å; V645-L656 PolarHBondContact N-O 3.21Å; V645-L656 PolarHBondContact O-N 2.85Å; V647-L656 HydrophobicContact CG2-CD1 4.26Å
657	S	95	Very high	91.4	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.6	175.2	-176.4	0	0	0	0	109.7	P27 D659	P27-S657 WeakPolarHBondContact CD-O 3.38Å; P27-S657 PolarHBondContact O-N 2.84Å; S657-D659 PolarHBondContact OG-O 3.37Å
658	L	91.8	Very high	90.9	Very high	40 Å²	40	36.1 Å²	36.1	21%	0.209	25%	0.247	C	C	.	.			trans	-88.4	-14.2	176.5	-46.9	-178.5	0	0	0	112.2	I26 F573 I585 P643 G660	I26-L658 HydrophobicContact CD1-CD2 3.54Å; I26-L658 HydrophobicContact CG1-CD2 4.18Å; I26-L658 HydrophobicContact CG2-CD2 4.15Å; F573-L658 HydrophobicContact CD1-CD1 4.31Å; F573-L658 HydrophobicContact CD2-CD1 3.97Å; F573-L658 HydrophobicContact CE1-CD1 4.13Å; F573-L658 HydrophobicContact CE2-CD1 3.77Å; F573-L658 HydrophobicContact CG-CD1 4.24Å; F573-L658 HydrophobicContact CZ-CD1 3.85Å; I585-L658 HydrophobicContact CD1-CD1 4.44Å; I585-L658 HydrophobicContact CD1-CD2 3.43Å; I585-L658 VanDerWaalsContact CD1-CD2 3.43Å; I585-L658 HydrophobicContact CG2-CD1 3.84Å; I585-L658 HydrophobicContact CG2-CD2 4.39Å; P643-L658 HydrophobicContact CB-CB 4.02Å; P643-L658 HydrophobicContact CB-CD1 4.23Å; P643-L658 HydrophobicContact CB-CG 4.48Å; P643-L658 VanDerWaalsContact O-CB 3.32Å; P643-L658 WeakPolarHBondContact O-CB 3.37Å; P643-L658 WeakPolarHBondContact O-CG 3.34Å; P643-L658 PolarHBondContact O-N 3.32Å; L658-G660 PolarHBondContact O-N 3.08Å
659	D	77.2	Confident	90.4	Very high	96 Å²	96	39.1 Å²	39.1	51%	0.513	27%	0.267	S	S	.	.			trans	-72.2	108.7	160.7	-78	6.8	0	0	0	107.5	Y642 P643 S657	Y642-D659 WeakPolarHBondContact CB-OD2 3.33Å; P643-D659 WeakPolarHBondContact CD-OD1 3.48Å; S657-D659 PolarHBondContact OG-O 3.37Å
660	G	52.8	Low	90	Very high	139 Å²	139	42.6 Å²	42.6	100%	1.433	29%	0.291	S	S	*	.			trans	-123.1	0	177	0	0	0	0	0	111.5	L658	L658-G660 PolarHBondContact O-N 3.08Å

Retrieved 660 of 660 residues in 866.7 ms (Link to these results)

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