A0A087YH70_POEFO Loading...

DM1 locus, WD repeat containing

AlphaFold DB , UniProt , Accession A0A087YH70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 675 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	35.3	Very low	38.6	Very low	244 Å²	244	118.4 Å²	118.4	100%	1.202	74%	0.738	S	S	*	*				0	134.8	0	-83	-167.9	179.8	0	0	108.2
2	A	36.5	Very low	40.5	Very low	104 Å²	104	118.3 Å²	118.3	86%	0.86	73%	0.729	S	S	*	*			trans	47	88.9	168.3	0	0	0	0	0	117.3
3	G	36	Very low	43.6	Very low	79 Å²	79	117.8 Å²	117.8	81%	0.814	71%	0.713	S	S	*	*			trans	-76.7	132.6	158.6	0	0	0	0	0	110	G5	G3-G5 PolarHBondContact O-N 2.87Å
4	D	40.8	Very low	46.8	Very low	157 Å²	157	112.7 Å²	112.7	84%	0.84	68%	0.679	S	S	*	*			trans	-58.9	95.7	-179.8	-167.5	7	0	0	0	111.6
5	G	35.4	Very low	49.8	Very low	60 Å²	60	108.6 Å²	108.6	62%	0.619	65%	0.649	S	S	*	*			trans	-100.5	14.8	178.8	0	0	0	0	0	113.8	G3	G3-G5 PolarHBondContact O-N 2.87Å
6	G	34.8	Very low	52.2	Low	49 Å²	49	106.2 Å²	106.2	51%	0.505	64%	0.639	S	S	.	*	S	Bend	trans	-79.2	-30.9	-170.2	0	0	0	0	0	115.3
7	A	38.6	Very low	54.6	Low	81 Å²	81	105.6 Å²	105.6	67%	0.669	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-13	-166.4	0	0	0	0	0	115.7
8	L	35.2	Very low	56.8	Low	144 Å²	144	100.4 Å²	100.4	75%	0.754	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-5.5	-175.9	-95.1	147.1	0	0	0	114.5
9	K	38.2	Very low	58.7	Low	172 Å²	172	104.1 Å²	104.1	75%	0.748	60%	0.598	S	S	*	*	S	Bend	trans	-78.8	-31	179	-85.4	-177.8	174.2	179	0	113.5	I11	K9-I11 PolarHBondContact O-N 2.76Å
10	D	45.5	Very low	60.5	Low	106 Å²	106	99.5 Å²	99.5	57%	0.567	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-22.5	-171.9	-88.7	-42.4	0	0	0	115.1	K15	D10-K15 IonicContact OD1-NZ 3.5Å
11	I	48.4	Very low	62	Low	106 Å²	106	101.8 Å²	101.8	54%	0.544	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.8	-22.4	-173.1	-54.9	174.8	0	0	0	111.8	K9	K9-I11 PolarHBondContact O-N 2.76Å
12	N	61.7	Low	64.6	Low	118 Å²	118	93.2 Å²	93.2	63%	0.631	53%	0.528	S	S	*	.	S	Bend	trans	-102.7	-5.2	-176.5	-85.8	-24.6	0	0	0	114.6
13	E	81	Confident	67.3	Low	112 Å²	112	89 Å²	89	52%	0.523	50%	0.496	S	S	.	.	S	Bend	trans	-80.5	131.7	179.5	-166.8	-170.3	-151.4	0	0	111.1	K15	E13-K15 PolarHBondContact O-N 2.95Å; E13-K15 IonicContact OE2-NZ 2.76Å; E13-K15 PolarHBondContact OE2-NZ 2.6Å
14	I	88.5	Confident	70	Confident	46 Å²	46	89.7 Å²	89.7	24%	0.236	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-65.1	125.4	172.4	-69	179.2	0	0	0	108.9	K626 I627 H629	I14-K626 HydrophobicContact CG1-CG 4.48Å; I14-I627 WeakPolarHBondContact CG2-O 3.47Å; I14-H629 HydrophobicContact CD1-CB 4.32Å; I14-H629 WeakPolarHBondContact CD1-CD2 3.4Å; I14-H629 VanDerWaalsContact CD1-CE1 3.48Å; I14-H629 WeakPolarHBondContact CD1-CE1 3.28Å; I14-H629 WeakPolarHBondContact CD1-NE2 3.12Å
15	K	91	Very high	72.5	Confident	51 Å²	51	82.3 Å²	82.3	22%	0.222	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-86.1	134.7	178.4	-58	-56.5	175.3	-171.7	0	109.7	D10 E13 K625 K626 W654	D10-K15 IonicContact OD1-NZ 3.5Å; E13-K15 PolarHBondContact O-N 2.95Å; E13-K15 IonicContact OE2-NZ 2.76Å; E13-K15 PolarHBondContact OE2-NZ 2.6Å; K15-K625 HydrophobicContact CG-CD 4.2Å; K15-K626 PolarHBondContact N-O 2.84Å; K15-W654 VanDerWaalsContact O-CH2 3.23Å; K15-W654 WeakPolarHBondContact O-CH2 3.24Å
16	S	89	Confident	75.2	Confident	70 Å²	70	84.1 Å²	84.1	49%	0.49	43%	0.428	S	S	.	.	S	Bend	trans	-101.3	0.8	179.3	56.5	0	0	0	0	113.3	L27	S16-L27 WeakPolarHBondContact O-CB 3.39Å; S16-L27 PolarHBondContact O-N 3.15Å
17	Q	92.4	Very high	77.8	Confident	97 Å²	97	83.3 Å²	83.3	45%	0.453	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	156	174.7	60	177.6	15.8	0	0	110.7	Y25 K26	Q17-Y25 WeakPolarHBondContact CA-O 3.37Å; Q17-Y25 VanDerWaalsContact CB-O 3.25Å; Q17-Y25 WeakPolarHBondContact CB-O 3.37Å; Q17-K26 HydrophobicContact CB-CG 4.29Å
18	F	94.1	Very high	79.9	Confident	12 Å²	12	79.9 Å²	79.9	5%	0.053	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	164	169.8	57.6	-92.3	0	0	0	110	T20 Y25 F430 V623 K625 I642 W654	F18-T20 HydrophobicContact CD2-CG2 4.29Å; F18-T20 HydrophobicContact CE2-CG2 4.41Å; F18-Y25 AromaticContact CD2-CD2 3.96Å; F18-Y25 HydrophobicContact CD2-CD2 3.96Å; F18-Y25 HydrophobicContact CD2-CG 4.05Å; F18-Y25 HydrophobicContact CE1-CG 4.48Å; F18-Y25 VanDerWaalsContact CE2-CB 3.46Å; F18-Y25 AromaticContact CE2-CD1 3.95Å; F18-Y25 HydrophobicContact CE2-CD1 3.95Å; F18-Y25 AromaticContact CE2-CD2 3.5Å; F18-Y25 HydrophobicContact CE2-CD2 3.5Å; F18-Y25 HydrophobicContact CE2-CE2 4.23Å; F18-Y25 AromaticContact CE2-CG 3.36Å; F18-Y25 HydrophobicContact CE2-CG 3.36Å; F18-Y25 VanDerWaalsContact CZ-CB 3.46Å; F18-Y25 AromaticContact CZ-CD1 3.91Å; F18-Y25 HydrophobicContact CZ-CD1 3.91Å; F18-Y25 HydrophobicContact CZ-CD2 4.25Å; F18-Y25 AromaticContact CZ-CG 3.62Å; F18-Y25 HydrophobicContact CZ-CG 3.62Å; F18-Y25 PolarHBondContact N-O 3.35Å; F18-Y25 PolarHBondContact O-N 2.8Å; F18-F430 HydrophobicContact CE1-CD1 4.17Å; F18-F430 AromaticContact CE1-CE1 3.95Å; F18-F430 HydrophobicContact CE1-CE1 3.95Å; F18-F430 AromaticContact CE2-CE1 3.93Å; F18-F430 HydrophobicContact CE2-CE1 3.93Å; F18-F430 HydrophobicContact CZ-CD1 4.21Å; F18-F430 AromaticContact CZ-CE1 3.53Å; F18-F430 HydrophobicContact CZ-CE1 3.53Å; F18-F430 HydrophobicContact CZ-CZ 4.2Å; F18-V623 HydrophobicContact CB-CG1 3.94Å; F18-V623 HydrophobicContact CD2-CG1 3.99Å; F18-V623 HydrophobicContact CD2-CG2 3.88Å; F18-V623 HydrophobicContact CE2-CG2 4.48Å; F18-V623 HydrophobicContact CG-CG1 3.93Å; F18-K625 HydrophobicContact CB-CG 4.38Å; F18-I642 HydrophobicContact CZ-CD1 4.11Å; F18-W654 HydrophobicContact CD1-CE3 4.12Å; F18-W654 HydrophobicContact CD1-CZ3 4.05Å; F18-W654 HydrophobicContact CE1-CD2 4.31Å; F18-W654 AromaticContact CE1-CE3 3.72Å; F18-W654 HydrophobicContact CE1-CE3 3.72Å; F18-W654 HydrophobicContact CE1-CZ3 4.05Å
19	R	93.5	Very high	81.5	Confident	170 Å²	170	76.9 Å²	76.9	64%	0.642	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.2	-177	-173.4	-178.4	-178.9	175.6	0.4	110	G23 F24	R19-G23 WeakPolarHBondContact CA-O 3.5Å; R19-F24 HydrophobicContact CB-CD1 3.99Å; R19-F24 HydrophobicContact CB-CE1 3.98Å; R19-F24 HydrophobicContact CB-CG 4.49Å; R19-F24 HydrophobicContact CB-CZ 4.46Å; R19-F24 HydrophobicContact CG-CD1 4.36Å; R19-F24 HydrophobicContact CG-CD2 4.45Å; R19-F24 HydrophobicContact CG-CE1 4.31Å; R19-F24 HydrophobicContact CG-CE2 4.4Å; R19-F24 HydrophobicContact CG-CG 4.44Å; R19-F24 HydrophobicContact CG-CZ 4.35Å
20	T	94.4	Very high	82.4	Confident	12 Å²	12	69.7 Å²	69.7	7%	0.074	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	-172.2	171.6	64.2	0	0	0	0	109.2	F18 E22 G23 Y25 L432 L622 V623	F18-T20 HydrophobicContact CD2-CG2 4.29Å; F18-T20 HydrophobicContact CE2-CG2 4.41Å; T20-E22 WeakPolarHBondContact CB-OE2 3.46Å; T20-E22 PolarHBondContact O-N 2.97Å; T20-E22 PolarHBondContact OG1-N 2.75Å; T20-E22 PolarHBondContact OG1-OE2 3.29Å; T20-G23 PolarHBondContact N-O 3.4Å; T20-G23 PolarHBondContact O-N 3.49Å; T20-Y25 HydrophobicContact CG2-CD2 4.26Å; T20-Y25 HydrophobicContact CG2-CE2 3.95Å; T20-Y25 VanDerWaalsContact OG1-CE2 3.31Å; T20-Y25 WeakPolarHBondContact OG1-CE2 3.34Å; T20-L432 HydrophobicContact CG2-CD2 3.65Å; T20-L622 HydrophobicContact CG2-CD2 3.95Å; T20-V623 HydrophobicContact CG2-CG2 3.81Å
21	R	91	Very high	82.4	Confident	148 Å²	148	67.7 Å²	67.7	56%	0.558	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.3	173.6	69.5	-178.3	-177.6	-165.8	-4.8	113.1	G23 D434	R21-G23 VanDerWaalsContact C-N 3.31Å; R21-G23 PolarHBondContact O-N 3.24Å; R21-D434 IonicContact NH1-OD2 3.99Å
22	E	90.2	Very high	81.6	Confident	63 Å²	63	68.8 Å²	68.8	29%	0.294	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-22.8	178.7	-59.6	73.7	-153.1	0	0	112.6	T20 T363 R420 P657	T20-E22 WeakPolarHBondContact CB-OE2 3.46Å; T20-E22 PolarHBondContact O-N 2.97Å; T20-E22 PolarHBondContact OG1-N 2.75Å; T20-E22 PolarHBondContact OG1-OE2 3.29Å; E22-T363 HydrophobicContact CG-CG2 4.41Å; E22-R420 IonicContact OE1-CZ 3.08Å; E22-R420 IonicContact OE1-NH1 3.23Å; E22-R420 PolarHBondContact OE1-NH1 3.48Å; E22-R420 IonicContact OE1-NH2 3.97Å; E22-R420 PolarHBondContact OE1-NH2 2.85Å; E22-R420 IonicContact OE2-CZ 3.37Å; E22-R420 IonicContact OE2-NH1 2.92Å; E22-R420 PolarHBondContact OE2-NH1 2.86Å; E22-R420 IonicContact OE2-NH2 3.24Å; E22-P657 HydrophobicContact CB-CB 4.44Å; E22-P657 HydrophobicContact CB-CG 3.94Å; E22-P657 WeakPolarHBondContact O-CB 3.27Å
23	G	93.1	Very high	80.1	Confident	17 Å²	17	67.9 Å²	67.9	18%	0.175	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	129.7	-152.7	-179.9	0	0	0	0	0	112.9	R19 T20 R21 P657	R19-G23 WeakPolarHBondContact CA-O 3.5Å; T20-G23 PolarHBondContact N-O 3.4Å; T20-G23 PolarHBondContact O-N 3.49Å; R21-G23 VanDerWaalsContact C-N 3.31Å; R21-G23 PolarHBondContact O-N 3.24Å; G23-P657 VanDerWaalsContact C-CG 3.49Å
24	F	93.4	Very high	78.1	Confident	93 Å²	93	67.6 Å²	67.6	41%	0.408	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.1	-177.6	-75.1	-88	0	0	0	112	R19 K26 P657	R19-F24 HydrophobicContact CB-CD1 3.99Å; R19-F24 HydrophobicContact CB-CE1 3.98Å; R19-F24 HydrophobicContact CB-CG 4.49Å; R19-F24 HydrophobicContact CB-CZ 4.46Å; R19-F24 HydrophobicContact CG-CD1 4.36Å; R19-F24 HydrophobicContact CG-CD2 4.45Å; R19-F24 HydrophobicContact CG-CE1 4.31Å; R19-F24 HydrophobicContact CG-CE2 4.4Å; R19-F24 HydrophobicContact CG-CG 4.44Å; R19-F24 HydrophobicContact CG-CZ 4.35Å; F24-K26 HydrophobicContact CB-CG 4.44Å; F24-P657 WeakPolarHBondContact O-CA 3.38Å
25	Y	93.8	Very high	75.7	Confident	2 Å²	2	70 Å²	70	1%	0.008	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.4	162.5	-68.4	-107.2	0	0	0	108.2	Q17 F18 T20 I642 A655 R656 P657	Q17-Y25 WeakPolarHBondContact CA-O 3.37Å; Q17-Y25 VanDerWaalsContact CB-O 3.25Å; Q17-Y25 WeakPolarHBondContact CB-O 3.37Å; F18-Y25 AromaticContact CD2-CD2 3.96Å; F18-Y25 HydrophobicContact CD2-CD2 3.96Å; F18-Y25 HydrophobicContact CD2-CG 4.05Å; F18-Y25 HydrophobicContact CE1-CG 4.48Å; F18-Y25 VanDerWaalsContact CE2-CB 3.46Å; F18-Y25 AromaticContact CE2-CD1 3.95Å; F18-Y25 HydrophobicContact CE2-CD1 3.95Å; F18-Y25 AromaticContact CE2-CD2 3.5Å; F18-Y25 HydrophobicContact CE2-CD2 3.5Å; F18-Y25 HydrophobicContact CE2-CE2 4.23Å; F18-Y25 AromaticContact CE2-CG 3.36Å; F18-Y25 HydrophobicContact CE2-CG 3.36Å; F18-Y25 VanDerWaalsContact CZ-CB 3.46Å; F18-Y25 AromaticContact CZ-CD1 3.91Å; F18-Y25 HydrophobicContact CZ-CD1 3.91Å; F18-Y25 HydrophobicContact CZ-CD2 4.25Å; F18-Y25 AromaticContact CZ-CG 3.62Å; F18-Y25 HydrophobicContact CZ-CG 3.62Å; F18-Y25 PolarHBondContact N-O 3.35Å; F18-Y25 PolarHBondContact O-N 2.8Å; T20-Y25 HydrophobicContact CG2-CD2 4.26Å; T20-Y25 HydrophobicContact CG2-CE2 3.95Å; T20-Y25 VanDerWaalsContact OG1-CE2 3.31Å; T20-Y25 WeakPolarHBondContact OG1-CE2 3.34Å; Y25-I642 HydrophobicContact CD1-CD1 3.64Å; Y25-I642 HydrophobicContact CD1-CG1 4.31Å; Y25-I642 HydrophobicContact CE1-CD1 3.53Å; Y25-I642 HydrophobicContact CE1-CG1 4.17Å; Y25-A655 VanDerWaalsContact CA-O 3.28Å; Y25-A655 WeakPolarHBondContact CA-O 3.47Å; Y25-R656 HydrophobicContact CD1-CG 4.33Å; Y25-R656 HydrophobicContact CE1-CB 4.34Å; Y25-R656 HydrophobicContact CE1-CG 3.77Å; Y25-P657 HydrophobicContact CD2-CG 3.85Å; Y25-P657 HydrophobicContact CE2-CG 3.61Å
26	K	91.1	Very high	72.9	Confident	98 Å²	98	79.2 Å²	79.2	43%	0.426	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.9	-175.4	-65.6	-176.6	179.1	-179.8	0	110.3	Q17 F24 L28 W654 A655	Q17-K26 HydrophobicContact CB-CG 4.29Å; F24-K26 HydrophobicContact CB-CG 4.44Å; K26-L28 PolarHBondContact O-N 2.77Å; K26-W654 CarbonylContact O-C 3.46Å; K26-W654 WeakPolarHBondContact O-CA 3.2Å; K26-A655 PolarHBondContact N-O 3.19Å; K26-A655 VanDerWaalsContact N-O 3.16Å; K26-A655 PolarHBondContact O-N 3.21Å
27	L	89.4	Confident	70.2	Confident	31 Å²	31	79.4 Å²	79.4	16%	0.162	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	124.9	166.7	179.8	62.6	0	0	0	108	S16 T29 C652 W654	S16-L27 WeakPolarHBondContact O-CB 3.39Å; S16-L27 PolarHBondContact O-N 3.15Å; L27-T29 HydrophobicContact CD2-CG2 4.12Å; L27-T29 HydrophobicContact CG-CG2 4.16Å; L27-C652 HydrophobicContact CD1-CB 3.58Å; L27-W654 HydrophobicContact CB-CD2 4.24Å; L27-W654 HydrophobicContact CB-CE3 3.87Å; L27-W654 HydrophobicContact CB-CH2 4.2Å; L27-W654 HydrophobicContact CB-CZ3 3.88Å; L27-W654 HydrophobicContact CD1-CD2 4.17Å; L27-W654 HydrophobicContact CD1-CZ2 4.13Å
28	L	82.8	Confident	67.6	Low	10 Å²	10	76.6 Å²	76.6	5%	0.052	40%	0.396	C	S	.	.			trans	-89.1	114.1	174.2	-54.1	178.6	0	0	0	107.8	K26 I128 T653 A655	K26-L28 PolarHBondContact O-N 2.77Å; L28-I128 HydrophobicContact CD1-CB 3.68Å; L28-I128 HydrophobicContact CD1-CG2 3.61Å; L28-T653 HydrophobicContact CD1-CG2 4.21Å; L28-T653 PolarHBondContact N-O 3.16Å; L28-A655 HydrophobicContact CD1-CB 4.04Å; L28-A655 HydrophobicContact CD2-CB 3.77Å; L28-A655 HydrophobicContact CG-CB 3.93Å
29	T	68.9	Low	64.8	Low	80 Å²	80	80.6 Å²	80.6	49%	0.491	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-99.6	143.5	178.4	52.6	0	0	0	0	111.1	L27	L27-T29 HydrophobicContact CD2-CG2 4.12Å; L27-T29 HydrophobicContact CG-CG2 4.16Å
30	L	57.1	Low	62.1	Low	21 Å²	21	77.1 Å²	77.1	11%	0.11	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-63.5	146.7	164.6	-64.7	170.5	0	0	0	109.5	Q34 A131 G672 V674	L30-Q34 HydrophobicContact CB-CB 4.48Å; L30-A131 HydrophobicContact CD2-CB 3.4Å; L30-G672 WeakPolarHBondContact CD2-O 3.23Å; L30-G672 WeakPolarHBondContact CG-O 3.46Å; L30-G672 PolarHBondContact N-O 3.44Å; L30-V674 HydrophobicContact CD1-CB 4.34Å; L30-V674 WeakPolarHBondContact CD1-O 3.48Å
31	S	45.5	Very low	59.3	Low	65 Å²	65	87.7 Å²	87.7	46%	0.455	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-61.3	139	166.7	52.8	0	0	0	0	110.4	S33 Q34	S31-S33 PolarHBondContact O-N 2.89Å; S31-S33 PolarHBondContact OG-OG 3.13Å; S31-Q34 PolarHBondContact O-N 2.84Å
32	D	31	Very low	56.7	Low	128 Å²	128	83.3 Å²	83.3	68%	0.684	46%	0.456	S	S	*	.	H	α-helix	trans	-44.6	-27.3	-176.8	-79.6	-26.1	0	0	0	115.7	Q34	D32-Q34 VanDerWaalsContact C-N 3.33Å; D32-Q34 PolarHBondContact O-N 3.35Å
33	S	30.2	Very low	53.9	Low	100 Å²	100	86.9 Å²	86.9	70%	0.699	49%	0.485	S	S	*	.	H	α-helix	trans	-67.2	-24	177.6	34.9	0	0	0	0	114.6	S31	S31-S33 PolarHBondContact O-N 2.89Å; S31-S33 PolarHBondContact OG-OG 3.13Å
34	Q	39	Very low	50.8	Low	105 Å²	105	91.9 Å²	91.9	49%	0.491	51%	0.512	S	S	.	.	H	α-helix	trans	-92.8	-27.7	177.8	-74.2	-174.9	-42.7	0	0	113.2	L30 S31 D32 R36 G37	L30-Q34 HydrophobicContact CB-CB 4.48Å; S31-Q34 PolarHBondContact O-N 2.84Å; D32-Q34 VanDerWaalsContact C-N 3.33Å; D32-Q34 PolarHBondContact O-N 3.35Å; Q34-R36 VanDerWaalsContact C-N 3.28Å; Q34-R36 PolarHBondContact O-N 3.19Å; Q34-G37 PolarHBondContact O-N 3.14Å
35	Q	39	Very low	48.1	Very low	97 Å²	97	92.9 Å²	92.9	45%	0.453	54%	0.537	S	S	.	.	H	α-helix	trans	-62.3	-32.8	176.3	-87.1	-176.8	-24	0	0	113.2	G37	Q35-G37 VanDerWaalsContact C-N 3.32Å; Q35-G37 PolarHBondContact O-N 3.48Å
36	R	31.1	Very low	45	Very low	245 Å²	245	96 Å²	96	93%	0.925	57%	0.571	S	S	*	*	H	α-helix	trans	-76.9	-13.1	-179.5	-78.9	-171.5	174.5	-151.3	0.2	114.7	Q34	Q34-R36 VanDerWaalsContact C-N 3.28Å; Q34-R36 PolarHBondContact O-N 3.19Å
37	G	33.2	Very low	42.1	Very low	73 Å²	73	96.1 Å²	96.1	75%	0.753	59%	0.589	S	S	*	*	H	α-helix	trans	-110.2	-8.5	-170.8	0	0	0	0	0	116.7	Q34 Q35	Q34-G37 PolarHBondContact O-N 3.14Å; Q35-G37 VanDerWaalsContact C-N 3.32Å; Q35-G37 PolarHBondContact O-N 3.48Å
38	G	37.1	Very low	39.2	Very low	39 Å²	39	101.5 Å²	101.5	40%	0.402	62%	0.624	S	S	.	*	H	α-helix	trans	-126.4	-15.6	-161.3	0	0	0	0	0	118.3	P40	G38-P40 WeakPolarHBondContact O-CD 3.38Å
39	L	35.5	Very low	36.8	Very low	96 Å²	96	109.3 Å²	109.3	50%	0.503	67%	0.665	S	S	.	*			trans	-98.8	115.6	-176.7	-69.5	169.6	0	0	0	110.9	R41	L39-R41 PolarHBondContact O-N 2.86Å; L39-R41 VanDerWaalsContact O-N 3.12Å
40	P	36.7	Very low	34.9	Very low	97 Å²	97	109 Å²	109	63%	0.63	68%	0.677	S	S	*	*			trans	-67.7	111	162.6	27	-29	0	0	0	107.8	G38 G42	G38-P40 WeakPolarHBondContact O-CD 3.38Å; P40-G42 PolarHBondContact O-N 3.09Å
41	R	36.6	Very low	33.8	Very low	234 Å²	234	114.8 Å²	114.8	88%	0.883	72%	0.716	S	S	*	*			trans	-51.9	125.2	167.1	-82.6	-179.5	167	176.9	-4.3	108.3	L39	L39-R41 PolarHBondContact O-N 2.86Å; L39-R41 VanDerWaalsContact O-N 3.12Å
42	G	35.8	Very low	32.9	Very low	56 Å²	56	115.1 Å²	115.1	58%	0.577	73%	0.73	S	S	*	*			trans	-53.8	158.1	168.6	0	0	0	0	0	111.1	P40 T44	P40-G42 PolarHBondContact O-N 3.09Å; G42-T44 PolarHBondContact O-N 2.79Å
43	P	30.7	Very low	32.8	Very low	137 Å²	137	113.9 Å²	113.9	89%	0.89	74%	0.737	S	S	*	*			trans	-61.3	113	-177	23.8	-30.6	0	0	0	109.9	A45	P43-A45 PolarHBondContact O-N 3.22Å
44	T	29.6	Very low	32.9	Very low	122 Å²	122	112.5 Å²	112.5	75%	0.748	74%	0.739	S	S	*	*			trans	-58.6	123.6	164.1	47.2	0	0	0	0	108.2	G42 G46	G42-T44 PolarHBondContact O-N 2.79Å; T44-G46 PolarHBondContact O-N 2.84Å
45	A	36.9	Very low	32.6	Very low	114 Å²	114	114 Å²	114	94%	0.942	76%	0.757	S	S	*	*			trans	-65.6	85.9	164.8	0	0	0	0	0	108.6	P43	P43-A45 PolarHBondContact O-N 3.22Å
46	G	28	Very low	32.2	Very low	69 Å²	69	112.2 Å²	112.2	71%	0.711	77%	0.765	S	S	*	*			trans	-111.4	89.4	177	0	0	0	0	0	110.2	T44	T44-G46 PolarHBondContact O-N 2.84Å
47	A	29.9	Very low	32.2	Very low	99 Å²	99	106.7 Å²	106.7	82%	0.818	76%	0.762	S	S	*	*			trans	-122	95.8	153.4	0	0	0	0	0	107.1	L49	A47-L49 PolarHBondContact O-N 2.76Å
48	T	28	Very low	32.2	Very low	145 Å²	145	111.1 Å²	111.1	89%	0.89	77%	0.766	S	S	*	*			trans	-60.5	119.9	167.9	23.9	0	0	0	0	110.6
49	L	33	Very low	31.9	Very low	174 Å²	174	115 Å²	115	91%	0.911	78%	0.784	S	S	*	*			trans	-124.8	131	150.9	-74.4	173.7	0	0	0	107.5	A47	A47-L49 PolarHBondContact O-N 2.76Å
50	G	28.6	Very low	31.6	Very low	73 Å²	73	114.1 Å²	114.1	75%	0.753	80%	0.799	S	S	*	*			trans	-67.3	177.4	-170.8	0	0	0	0	0	115.3
51	P	33.7	Very low	31.1	Very low	143 Å²	143	114.7 Å²	114.7	93%	0.929	81%	0.812	S	S	*	*			trans	-80.7	131.1	-161.7	32.9	-32.3	0	0	0	111.4
52	G	28.3	Very low	30.6	Very low	71 Å²	71	106.8 Å²	106.8	73%	0.732	80%	0.802	S	S	*	*			trans	-162.3	110.7	174.9	0	0	0	0	0	112.4
53	A	28.6	Very low	30.2	Very low	102 Å²	102	111.3 Å²	111.3	84%	0.843	82%	0.819	S	S	*	*			trans	56.2	106.9	157.8	0	0	0	0	0	118.5
54	G	32.3	Very low	29.9	Very low	71 Å²	71	108.6 Å²	108.6	73%	0.732	82%	0.815	S	S	*	*			trans	-68.2	152.7	165.2	0	0	0	0	0	112.3	G56	G54-G56 PolarHBondContact O-N 3.09Å
55	P	33.2	Very low	29.8	Very low	136 Å²	136	110.4 Å²	110.4	88%	0.883	82%	0.819	S	S	*	*			trans	-85.6	117.1	172.9	31.9	-27	0	0	0	109.6
56	G	29.1	Very low	29.3	Very low	60 Å²	60	112.7 Å²	112.7	62%	0.619	82%	0.815	S	S	*	*			trans	-70.5	176.2	162.9	0	0	0	0	0	112.5	G54	G54-G56 PolarHBondContact O-N 3.09Å
57	P	30.9	Very low	29.2	Very low	130 Å²	130	118.4 Å²	118.4	84%	0.844	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82.6	148.5	-161.1	33.7	-33.7	0	0	0	112.5
58	I	33.3	Very low	28.9	Very low	166 Å²	166	117.2 Å²	117.2	85%	0.851	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-95.1	134.4	170.4	-58.8	178.3	0	0	0	108.3
59	P	32.2	Very low	29.6	Very low	119 Å²	119	116.9 Å²	116.9	77%	0.773	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-90.5	154.2	-158.2	25.9	-14.1	0	0	0	113.7
60	G	27.5	Very low	29.1	Very low	79 Å²	79	112.2 Å²	112.2	81%	0.814	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-96.1	157.2	171.5	0	0	0	0	0	113.7
61	A	26.8	Very low	29	Very low	109 Å²	109	113.8 Å²	113.8	90%	0.901	82%	0.821	S	S	*	*			trans	-171.5	134.9	149.2	0	0	0	0	0	106.8
62	G	25.7	Very low	28.9	Very low	67 Å²	67	111.9 Å²	111.9	69%	0.691	82%	0.817	S	S	*	*			cis	-179.3	143.9	-1	0	0	0	0	0	109.9
63	V	28.2	Very low	28.8	Very low	152 Å²	152	113 Å²	113	92%	0.921	82%	0.819	S	S	*	*			trans	53.2	121.7	144.5	-86.6	0	0	0	0	122.7
64	G	24.8	Very low	28.9	Very low	79 Å²	79	113.2 Å²	113.2	81%	0.814	82%	0.821	S	S	*	*			trans	-174.1	94.8	149.4	0	0	0	0	0	110.8
65	L	27.1	Very low	28.5	Very low	160 Å²	160	115 Å²	115	84%	0.838	82%	0.823	S	S	*	*			trans	-61.8	147.3	175.2	-85.6	109.8	0	0	0	112.3
66	L	26.3	Very low	28.3	Very low	163 Å²	163	114.5 Å²	114.5	85%	0.853	82%	0.822	S	S	*	*				-179.5	147.3	120.5	-91	154.9	0	0	0	113.4
67	Q	25.1	Very low	28.1	Very low	188 Å²	188	116.2 Å²	116.2	88%	0.879	83%	0.825	S	S	*	*			trans	-42.7	153.3	-179.7	-74.8	159.4	-30.3	0	0	119.6
68	G	24.6	Very low	28.1	Very low	74 Å²	74	115.9 Å²	115.9	76%	0.763	83%	0.825	S	S	*	*			trans	139.3	132.9	143.8	0	0	0	0	0	116.1
69	P	41.3	Very low	27.7	Very low	139 Å²	139	114.8 Å²	114.8	90%	0.903	82%	0.821	S	S	*	*			trans	-94.2	155.1	-168.4	37.1	-33.1	0	0	0	113.9
70	G	23.6	Very low	27.5	Very low	75 Å²	75	114.2 Å²	114.2	77%	0.773	83%	0.826	S	S	*	*			trans	136.3	151.8	154.8	0	0	0	0	0	117
71	A	25.5	Very low	27.3	Very low	106 Å²	106	115 Å²	115	88%	0.876	83%	0.825	S	S	*	*			trans	86.2	110.9	161.1	0	0	0	0	0	118.7
72	A	31.8	Very low	27.3	Very low	103 Å²	103	113.9 Å²	113.9	85%	0.851	82%	0.816	S	S	*	*			trans	-52.6	141.5	157.4	0	0	0	0	0	112
73	A	26.2	Very low	27.9	Very low	94 Å²	94	117.3 Å²	117.3	78%	0.777	82%	0.819	S	S	*	*			trans	-142.4	105.6	161.1	0	0	0	0	0	109.2	S75	A73-S75 PolarHBondContact O-N 2.92Å
74	A	31.1	Very low	27.8	Very low	108 Å²	108	114.5 Å²	114.5	89%	0.893	81%	0.806	S	S	*	*			trans	-59.7	128.3	161.2	0	0	0	0	0	108.8
75	S	25.3	Very low	28.2	Very low	109 Å²	109	114.4 Å²	114.4	76%	0.762	79%	0.793	S	S	*	*			trans	-118.8	101.8	165.7	51.9	0	0	0	0	109.2	A73 S77	A73-S75 PolarHBondContact O-N 2.92Å; S75-S77 PolarHBondContact O-N 2.9Å
76	S	28.5	Very low	28.3	Very low	124 Å²	124	110.9 Å²	110.9	87%	0.867	78%	0.779	S	S	*	*			trans	-61.4	109.8	162.8	50	0	0	0	0	109.2
77	S	24.7	Very low	28.4	Very low	97 Å²	97	108.6 Å²	108.6	68%	0.678	78%	0.784	S	S	*	*			trans	-117.7	112.5	163.3	51.7	0	0	0	0	109	S75 N79	S75-S77 PolarHBondContact O-N 2.9Å; S77-N79 PolarHBondContact O-N 3.02Å; S77-N79 VanDerWaalsContact O-N 3.07Å
78	S	29.9	Very low	29.2	Very low	122 Å²	122	103 Å²	103	85%	0.853	78%	0.777	S	S	*	*			trans	-64.4	96.1	168.7	49.8	0	0	0	0	109.3
79	N	25.3	Very low	31.1	Very low	144 Å²	144	106.2 Å²	106.2	77%	0.77	77%	0.77	S	S	*	*			trans	-103.7	110.2	164.1	-93.5	-13.4	0	0	0	109.2	S77 A81	S77-N79 PolarHBondContact O-N 3.02Å; S77-N79 VanDerWaalsContact O-N 3.07Å; N79-A81 PolarHBondContact O-N 3.25Å
80	A	27.3	Very low	33.1	Very low	106 Å²	106	104.5 Å²	104.5	88%	0.876	75%	0.753	S	S	*	*			trans	-60.3	88.6	154.9	0	0	0	0	0	107.5	A82	A80-A82 PolarHBondContact O-N 3.37Å; A80-A82 VanDerWaalsContact O-N 3.11Å
81	A	24.6	Very low	36.4	Very low	95 Å²	95	101.7 Å²	101.7	79%	0.785	72%	0.721	S	S	*	*			trans	-73	103.8	171.7	0	0	0	0	0	107.6	N79 N83	N79-A81 PolarHBondContact O-N 3.25Å; A81-N83 PolarHBondContact O-N 3.28Å
82	A	25.6	Very low	39.7	Very low	87 Å²	87	98.7 Å²	98.7	72%	0.719	69%	0.693	S	S	*	*			trans	-51.2	135.7	167	0	0	0	0	0	110.1	A80 S84	A80-A82 PolarHBondContact O-N 3.37Å; A80-A82 VanDerWaalsContact O-N 3.11Å; A82-S84 PolarHBondContact O-N 2.67Å
83	N	39.7	Very low	42.8	Very low	138 Å²	138	93.9 Å²	93.9	74%	0.738	65%	0.653	S	S	*	*	S	Bend	trans	-52.1	97.9	176	-151	1.1	0	0	0	111	A81	A81-N83 PolarHBondContact O-N 3.28Å
84	S	25.8	Very low	46.2	Very low	94 Å²	94	92 Å²	92	66%	0.657	63%	0.626	S	S	*	*			trans	-152.4	112.9	158.6	62	0	0	0	0	108.5	A82	A82-S84 PolarHBondContact O-N 2.67Å
85	S	32.7	Very low	49.4	Very low	77 Å²	77	87.7 Å²	87.7	54%	0.538	59%	0.588	S	S	.	*			trans	-54	131.3	145.2	-55	0	0	0	0	105.5	A87	S85-A87 PolarHBondContact O-N 3.45Å; S85-A87 VanDerWaalsContact O-N 3.08Å
86	P	28.9	Very low	52.8	Low	85 Å²	85	83.2 Å²	83.2	55%	0.552	56%	0.557	S	S	*	*			trans	-50.7	126.5	178.9	-21.4	29.4	0	0	0	108	G88 F89	P86-G88 VanDerWaalsContact C-N 3.32Å; P86-G88 PolarHBondContact O-N 3.14Å; P86-F89 HydrophobicContact CB-CD2 4.24Å; P86-F89 HydrophobicContact CB-CE2 4.27Å; P86-F89 HydrophobicContact CG-CD2 4.28Å; P86-F89 HydrophobicContact CG-CE2 4.18Å; P86-F89 PolarHBondContact O-N 2.91Å
87	A	29.1	Very low	56	Low	115 Å²	115	78.6 Å²	78.6	95%	0.95	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	99.2	174.2	0	0	0	0	0	107.7	S85	S85-A87 PolarHBondContact O-N 3.45Å; S85-A87 VanDerWaalsContact O-N 3.08Å
88	G	42.5	Very low	59.3	Low	72 Å²	72	74.1 Å²	74.1	74%	0.742	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	158.7	-24.1	-174.3	0	0	0	0	0	116.4	P86	P86-G88 VanDerWaalsContact C-N 3.32Å; P86-G88 PolarHBondContact O-N 3.14Å
89	F	63.8	Low	62.3	Low	140 Å²	140	73 Å²	73	61%	0.614	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-90.3	124.8	179.4	-71.4	-78.3	0	0	0	112.5	P86	P86-F89 HydrophobicContact CB-CD2 4.24Å; P86-F89 HydrophobicContact CB-CE2 4.27Å; P86-F89 HydrophobicContact CG-CD2 4.28Å; P86-F89 HydrophobicContact CG-CE2 4.18Å; P86-F89 PolarHBondContact O-N 2.91Å
90	L	84.4	Confident	65.3	Low	104 Å²	104	66.3 Å²	66.3	55%	0.545	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-62.4	146.8	170.2	-63.6	174.2	0	0	0	110.3
91	P	91.5	Very high	67.9	Low	16 Å²	16	66.7 Å²	66.7	10%	0.104	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-54.7	153.4	170	-25.6	36.1	0	0	0	112.3	Q147 P148 T149 Q647	P91-Q147 HydrophobicContact CG-CB 3.64Å; P91-P148 VanDerWaalsContact CB-O 3.26Å; P91-P148 WeakPolarHBondContact CB-O 3.44Å; P91-T149 HydrophobicContact CB-CG2 4.19Å; P91-T149 HydrophobicContact CG-CG2 4.3Å; P91-Q647 PolarHBondContact O-NE2 3.24Å
92	P	95.1	Very high	70.1	Confident	42 Å²	42	65.6 Å²	65.6	27%	0.273	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-61.8	143.2	175.6	27.5	-34.2	0	0	0	110.6	R94 N115 T633	P92-R94 PolarHBondContact O-N 3.26Å; P92-N115 PolarHBondContact O-ND2 2.76Å; P92-T633 HydrophobicContact CB-CG2 3.95Å
93	V	96.7	Very high	71.9	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.012	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-66.3	126.3	164.5	173.4	0	0	0	0	107.3	T633 V634 A645	V93-T633 VanDerWaalsContact O-CB 3.23Å; V93-T633 WeakPolarHBondContact O-CB 3.36Å; V93-T633 PolarHBondContact O-OG1 2.94Å; V93-V634 WeakPolarHBondContact O-CG2 3.44Å; V93-A645 HydrophobicContact CG1-CB 4.27Å
94	R	98.1	Very high	73.1	Confident	56 Å²	56	66.7 Å²	66.7	21%	0.211	39%	0.391	C	S	.	.			trans	-120.2	153.5	174.9	-63	-62.2	-163.5	155	7.6	108.9	P92 F114 N115 T149 H151	P92-R94 PolarHBondContact O-N 3.26Å; R94-F114 WeakPolarHBondContact O-CA 3.28Å; R94-F114 WeakPolarHBondContact O-CB 3.41Å; R94-N115 WeakPolarHBondContact CA-OD1 3.4Å; R94-N115 WeakPolarHBondContact CB-OD1 3.36Å; R94-N115 PolarHBondContact N-OD1 3.34Å; R94-N115 PolarHBondContact O-N 3.34Å; R94-N115 PolarHBondContact O-OD1 3.09Å; R94-T149 WeakPolarHBondContact CG-O 3.44Å; R94-H151 PolarHBondContact O-CE1 3.29Å; R94-H151 PolarHBondContact O-NE2 2.86Å
95	V	97.5	Very high	74.8	Confident	17 Å²	17	68 Å²	68	10%	0.103	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.7	176.8	179.2	0	0	0	0	108	M97 V112 C113 F114 V634 A645 I651	V95-M97 HydrophobicContact CG1-SD 3.91Å; V95-V112 HydrophobicContact CG1-CG2 3.71Å; V95-C113 CarbonylContact C-O 3.52Å; V95-C113 VanDerWaalsContact CA-O 3.31Å; V95-C113 WeakPolarHBondContact CA-O 2.99Å; V95-F114 HydrophobicContact CG2-CB 3.99Å; V95-V634 HydrophobicContact CB-CG1 3.93Å; V95-V634 HydrophobicContact CB-CG2 4.26Å; V95-V634 HydrophobicContact CG2-CG1 4.13Å; V95-V634 HydrophobicContact CG2-CG2 4.02Å; V95-A645 HydrophobicContact CG2-CB 4.29Å; V95-I651 HydrophobicContact CG2-CD1 3.7Å; V95-I651 HydrophobicContact CG2-CG1 3.99Å; V95-I651 HydrophobicContact CG2-CG2 4.22Å
96	S	97.8	Very high	76.2	Confident	14 Å²	14	68.9 Å²	68.9	10%	0.098	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.6	172.1	-66.5	0	0	0	0	109.1	V112 C113 H151 F153	S96-V112 WeakPolarHBondContact O-CA 3.37Å; S96-C113 PolarHBondContact N-O 3.41Å; S96-C113 PolarHBondContact O-N 2.59Å; S96-H151 PolarHBondContact OG-CE1 2.93Å; S96-H151 PolarHBondContact OG-ND1 3.49Å; S96-H151 PolarHBondContact OG-O 2.86Å; S96-F153 WeakPolarHBondContact O-CE2 3.42Å
97	M	94.9	Very high	77.9	Confident	28 Å²	28	71.5 Å²	71.5	14%	0.138	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	148.5	176.3	-54.8	-55.4	-66.6	0	0	109	V95 R111 V112 Y125 Q155 M638 I643	V95-M97 HydrophobicContact CG1-SD 3.91Å; M97-R111 WeakPolarHBondContact CA-O 3.5Å; M97-V112 HydrophobicContact CE-CB 3.93Å; M97-V112 HydrophobicContact CE-CG2 4.3Å; M97-V112 HydrophobicContact SD-CB 3.71Å; M97-V112 HydrophobicContact SD-CG2 3.48Å; M97-V112 WeakPolarHBondContact SD-CG2 3.13Å; M97-Y125 HydrophobicContact CE-CD1 3.23Å; M97-Y125 HydrophobicContact CE-CD2 4.05Å; M97-Y125 HydrophobicContact CE-CE1 3.66Å; M97-Y125 HydrophobicContact CE-CE2 4.42Å; M97-Y125 HydrophobicContact CE-CG 3.45Å; M97-Y125 VanDerWaalsContact CE-CG 3.45Å; M97-Q155 PolarHBondContact O-NE2 2.77Å; M97-M638 HydrophobicContact CE-CE 4.19Å; M97-M638 HydrophobicContact CE-SD 4.1Å; M97-M638 HydrophobicContact CG-SD 4.3Å; M97-I643 HydrophobicContact CE-CD1 4.08Å; M97-I643 HydrophobicContact CG-CD1 4.39Å; M97-I643 HydrophobicContact SD-CD1 3.93Å
98	V	94.8	Very high	79.7	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.012	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	133.8	169.8	58.4	0	0	0	0	109.9	L100 E110 R111 F153 A158 V163	V98-L100 HydrophobicContact CG1-CD2 4.21Å; V98-L100 HydrophobicContact CG2-CD2 4.22Å; V98-E110 WeakPolarHBondContact O-CA 3.45Å; V98-R111 HydrophobicContact CG1-CB 3.67Å; V98-R111 HydrophobicContact CG1-CG 4.31Å; V98-R111 PolarHBondContact N-O 2.88Å; V98-R111 PolarHBondContact O-N 2.79Å; V98-F153 HydrophobicContact CB-CB 3.7Å; V98-F153 HydrophobicContact CB-CD1 4.35Å; V98-F153 HydrophobicContact CB-CD2 3.65Å; V98-F153 HydrophobicContact CB-CE2 4.33Å; V98-F153 HydrophobicContact CB-CG 3.66Å; V98-F153 HydrophobicContact CG1-CB 4.24Å; V98-F153 HydrophobicContact CG1-CD1 3.94Å; V98-F153 HydrophobicContact CG1-CD2 3.59Å; V98-F153 HydrophobicContact CG1-CE1 4.13Å; V98-F153 HydrophobicContact CG1-CE2 3.79Å; V98-F153 HydrophobicContact CG1-CG 3.67Å; V98-F153 HydrophobicContact CG1-CZ 4.05Å; V98-F153 HydrophobicContact CG2-CB 4.02Å; V98-F153 HydrophobicContact CG2-CG 4.35Å; V98-A158 HydrophobicContact CG2-CB 3.55Å; V98-V163 HydrophobicContact CG1-CG1 4.13Å
99	K	91.4	Very high	81.5	Confident	99 Å²	99	68.8 Å²	68.8	43%	0.43	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.7	170.3	-172.8	167	-172	159.8	0	107.9	E108 E110	K99-E108 IonicContact NZ-OE1 3.53Å; K99-E108 PolarHBondContact NZ-OE1 3.48Å; K99-E110 HydrophobicContact CB-CG 4.44Å; K99-E110 HydrophobicContact CG-CG 4.37Å
100	L	89.7	Confident	82.7	Confident	3 Å²	3	63 Å²	63	2%	0.016	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-82.7	140.5	178.5	-50.8	-174.2	0	0	0	108.8	V98 P102 S109 R111 A158 V163	V98-L100 HydrophobicContact CG1-CD2 4.21Å; V98-L100 HydrophobicContact CG2-CD2 4.22Å; L100-P102 VanDerWaalsContact O-CD 3.31Å; L100-P102 WeakPolarHBondContact O-CD 3.31Å; L100-S109 WeakPolarHBondContact CB-O 3.35Å; L100-S109 WeakPolarHBondContact CG-O 3.38Å; L100-S109 PolarHBondContact N-O 3.07Å; L100-R111 HydrophobicContact CD1-CG 3.92Å; L100-R111 HydrophobicContact CD2-CG 4.17Å; L100-R111 HydrophobicContact CG-CG 4.2Å; L100-A158 HydrophobicContact CD2-CB 4.11Å; L100-V163 HydrophobicContact CD2-CG2 3.33Å
101	Q	82.4	Confident	83.1	Confident	115 Å²	115	59.3 Å²	59.3	54%	0.537	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-60.5	119.8	169.4	-68.9	-178.2	23.2	0	0	108.3	Y156 A158	Q101-Y156 PolarHBondContact NE2-O 2.84Å; Q101-A158 WeakPolarHBondContact CG-O 3.47Å; Q101-A158 PolarHBondContact N-O 2.84Å; Q101-A158 VanDerWaalsContact N-O 3.14Å
102	P	69.2	Low	83.2	Confident	71 Å²	71	58.8 Å²	58.8	46%	0.461	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-73	138.7	-175.4	26.5	-31.1	0	0	0	111	L100 D104	L100-P102 VanDerWaalsContact O-CD 3.31Å; L100-P102 WeakPolarHBondContact O-CD 3.31Å; P102-D104 VanDerWaalsContact C-N 3.32Å; P102-D104 VanDerWaalsContact CB-O 3.28Å; P102-D104 WeakPolarHBondContact CB-O 3.39Å
103	E	63.8	Low	83.3	Confident	167 Å²	167	56.8 Å²	56.8	78%	0.78	30%	0.297	S	S	*	.	S	Bend	trans	-71.6	-32.4	163.9	-65.5	-160.3	138.1	0	0	110.9
104	D	65.8	Low	83.3	Confident	82 Å²	82	56.9 Å²	56.9	44%	0.439	30%	0.297	S	S	.	.	S	Bend	trans	-121.2	119.9	172.8	-174.4	-30.4	0	0	0	109.9	P102 S106 E107	P102-D104 VanDerWaalsContact C-N 3.32Å; P102-D104 VanDerWaalsContact CB-O 3.28Å; P102-D104 WeakPolarHBondContact CB-O 3.39Å; D104-S106 PolarHBondContact O-N 2.79Å; D104-S106 WeakPolarHBondContact OD1-CB 3.3Å; D104-S106 PolarHBondContact OD1-N 2.7Å; D104-S106 PolarHBondContact OD1-OG 3.05Å; D104-S106 PolarHBondContact OD2-OG 2.9Å; D104-E107 PolarHBondContact O-N 2.76Å
105	P	61.6	Low	83.3	Confident	121 Å²	121	54.2 Å²	54.2	79%	0.786	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-16.3	179.2	-24.9	33.3	0	0	0	115.7
106	S	60.9	Low	83.1	Confident	95 Å²	95	56 Å²	56	66%	0.664	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-14.8	176.9	68.5	0	0	0	0	114.4	D104	D104-S106 PolarHBondContact O-N 2.79Å; D104-S106 WeakPolarHBondContact OD1-CB 3.3Å; D104-S106 PolarHBondContact OD1-N 2.7Å; D104-S106 PolarHBondContact OD1-OG 3.05Å; D104-S106 PolarHBondContact OD2-OG 2.9Å
107	E	65.6	Low	82.7	Confident	141 Å²	141	56 Å²	56	66%	0.659	30%	0.298	S	S	*	.			trans	-104.2	102	178.1	-67.6	-159	164.6	0	0	111.8	D104 S109	D104-E107 PolarHBondContact O-N 2.76Å; E107-S109 PolarHBondContact O-N 3.4Å
108	E	65.4	Low	82.7	Confident	97 Å²	97	60.7 Å²	60.7	45%	0.453	31%	0.314	S	S	.	.			trans	-78.9	111.8	167.1	-68.2	-169.6	131.4	0	0	110	K99	K99-E108 IonicContact NZ-OE1 3.53Å; K99-E108 PolarHBondContact NZ-OE1 3.48Å
109	S	81.4	Confident	82.8	Confident	33 Å²	33	62.9 Å²	62.9	23%	0.231	32%	0.324	C	S	.	.			trans	-110.1	106.7	176.6	-145.5	0	0	0	0	109.5	L100 E107 R111	L100-S109 WeakPolarHBondContact CB-O 3.35Å; L100-S109 WeakPolarHBondContact CG-O 3.38Å; L100-S109 PolarHBondContact N-O 3.07Å; E107-S109 PolarHBondContact O-N 3.4Å; S109-R111 PolarHBondContact OG-NH1 3.31Å; S109-R111 PolarHBondContact OG-NH2 2.99Å; S109-R111 VanDerWaalsContact OG-NH2 3.14Å
110	E	89.1	Confident	83	Confident	18 Å²	18	58.6 Å²	58.6	8%	0.084	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	154.2	174.1	-63.9	-168.3	175.7	0	0	111.1	V98 K99 Y125 N127 M638	V98-E110 WeakPolarHBondContact O-CA 3.45Å; K99-E110 HydrophobicContact CB-CG 4.44Å; K99-E110 HydrophobicContact CG-CG 4.37Å; E110-Y125 HydrophobicContact CB-CD1 4.42Å; E110-Y125 PolarHBondContact O-N 3.4Å; E110-N127 PolarHBondContact OE2-OD1 3.1Å; E110-M638 WeakPolarHBondContact OE2-CE 3.26Å
111	R	92.4	Very high	83.3	Confident	27 Å²	27	59.4 Å²	59.4	10%	0.102	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.8	175.5	-55	-73.8	178.9	-78.3	-4.7	110.3	M97 V98 L100 S109 F122 Y123	M97-R111 WeakPolarHBondContact CA-O 3.5Å; V98-R111 HydrophobicContact CG1-CB 3.67Å; V98-R111 HydrophobicContact CG1-CG 4.31Å; V98-R111 PolarHBondContact N-O 2.88Å; V98-R111 PolarHBondContact O-N 2.79Å; L100-R111 HydrophobicContact CD1-CG 3.92Å; L100-R111 HydrophobicContact CD2-CG 4.17Å; L100-R111 HydrophobicContact CG-CG 4.2Å; S109-R111 PolarHBondContact OG-NH1 3.31Å; S109-R111 PolarHBondContact OG-NH2 2.99Å; S109-R111 VanDerWaalsContact OG-NH2 3.14Å; R111-F122 HydrophobicContact CB-CD2 4.44Å; R111-F122 HydrophobicContact CB-CE2 3.43Å; R111-F122 VanDerWaalsContact CB-CE2 3.43Å; R111-F122 HydrophobicContact CB-CZ 3.6Å; R111-F122 HydrophobicContact CG-CE1 4.48Å; R111-F122 HydrophobicContact CG-CE2 3.99Å; R111-F122 HydrophobicContact CG-CZ 3.58Å; R111-Y123 WeakPolarHBondContact CA-O 3.28Å
112	V	94.4	Very high	83.9	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.024	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.2	175.6	61.1	0	0	0	0	110	V95 S96 M97 F114 F122 Y123 Y125	V95-V112 HydrophobicContact CG1-CG2 3.71Å; S96-V112 WeakPolarHBondContact O-CA 3.37Å; M97-V112 HydrophobicContact CE-CB 3.93Å; M97-V112 HydrophobicContact CE-CG2 4.3Å; M97-V112 HydrophobicContact SD-CB 3.71Å; M97-V112 HydrophobicContact SD-CG2 3.48Å; M97-V112 WeakPolarHBondContact SD-CG2 3.13Å; V112-F114 HydrophobicContact CG2-CD1 4.38Å; V112-F122 WeakPolarHBondContact O-CA 3.45Å; V112-F122 WeakPolarHBondContact O-CD2 3.38Å; V112-Y123 PolarHBondContact N-O 2.87Å; V112-Y123 PolarHBondContact O-N 2.92Å; V112-Y125 HydrophobicContact CB-CD2 4.46Å; V112-Y125 HydrophobicContact CG1-CD2 4.28Å
113	C	96.9	Very high	85	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.2	169.3	177.8	0	0	0	0	109.8	V95 S96 Y121 F122 F153	V95-C113 CarbonylContact C-O 3.52Å; V95-C113 VanDerWaalsContact CA-O 3.31Å; V95-C113 WeakPolarHBondContact CA-O 2.99Å; S96-C113 PolarHBondContact N-O 3.41Å; S96-C113 PolarHBondContact O-N 2.59Å; C113-Y121 VanDerWaalsContact CA-O 3.26Å; C113-Y121 WeakPolarHBondContact CA-O 3.36Å; C113-F122 HydrophobicContact CB-CD2 4.3Å; C113-F153 HydrophobicContact CB-CE2 3.48Å; C113-F153 VanDerWaalsContact CB-CE2 3.48Å; C113-F153 HydrophobicContact CB-CZ 3.42Å; C113-F153 VanDerWaalsContact CB-CZ 3.42Å
114	F	97	Very high	86.3	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	152.6	173.9	63.4	-88.4	0	0	0	112.1	R94 V95 V112 I116 Y121 Y123 I651 V675	R94-F114 WeakPolarHBondContact O-CA 3.28Å; R94-F114 WeakPolarHBondContact O-CB 3.41Å; V95-F114 HydrophobicContact CG2-CB 3.99Å; V112-F114 HydrophobicContact CG2-CD1 4.38Å; F114-I116 HydrophobicContact CD2-CD1 4.03Å; F114-I116 HydrophobicContact CD2-CG1 3.99Å; F114-I116 HydrophobicContact CE2-CD1 3.75Å; F114-I116 HydrophobicContact CE2-CG1 4.17Å; F114-Y121 HydrophobicContact CD2-CD2 4.12Å; F114-Y121 HydrophobicContact CD2-CG 4.49Å; F114-Y121 HydrophobicContact CE1-CG 4.37Å; F114-Y121 AromaticContact CE2-CD2 3.48Å; F114-Y121 HydrophobicContact CE2-CD2 3.48Å; F114-Y121 VanDerWaalsContact CE2-CD2 3.48Å; F114-Y121 HydrophobicContact CE2-CE2 4.29Å; F114-Y121 AromaticContact CE2-CG 3.71Å; F114-Y121 HydrophobicContact CE2-CG 3.71Å; F114-Y121 HydrophobicContact CZ-CD1 4.33Å; F114-Y121 AromaticContact CZ-CD2 3.91Å; F114-Y121 HydrophobicContact CZ-CD2 3.91Å; F114-Y121 AromaticContact CZ-CG 3.63Å; F114-Y121 HydrophobicContact CZ-CG 3.63Å; F114-Y121 PolarHBondContact N-O 3.17Å; F114-Y121 VanDerWaalsContact N-O 3.12Å; F114-Y121 PolarHBondContact O-N 2.79Å; F114-Y123 AromaticContact CE1-CD2 3.68Å; F114-Y123 HydrophobicContact CE1-CD2 3.68Å; F114-Y123 AromaticContact CE1-CE2 3.78Å; F114-Y123 HydrophobicContact CE1-CE2 3.78Å; F114-Y123 HydrophobicContact CZ-CD2 4.21Å; F114-Y123 AromaticContact CZ-CE2 3.8Å; F114-Y123 HydrophobicContact CZ-CE2 3.8Å; F114-I651 HydrophobicContact CB-CD1 3.57Å; F114-I651 HydrophobicContact CD1-CD1 3.62Å; F114-I651 HydrophobicContact CD2-CD1 3.66Å; F114-I651 HydrophobicContact CE1-CD1 4.2Å; F114-I651 HydrophobicContact CE2-CD1 4.25Å; F114-I651 HydrophobicContact CG-CD1 3.32Å; F114-V675 HydrophobicContact CD1-CG1 4.31Å; F114-V675 HydrophobicContact CE1-CB 4.4Å; F114-V675 HydrophobicContact CE1-CG1 3.36Å; F114-V675 HydrophobicContact CE2-CG1 3.89Å; F114-V675 HydrophobicContact CZ-CB 4.42Å; F114-V675 HydrophobicContact CZ-CG1 3.12Å
115	N	96.6	Very high	87.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.8	176.9	70.3	-63.3	0	0	0	112.2	P92 R94 E119 L120 P148	P92-N115 PolarHBondContact O-ND2 2.76Å; R94-N115 WeakPolarHBondContact CA-OD1 3.4Å; R94-N115 WeakPolarHBondContact CB-OD1 3.36Å; R94-N115 PolarHBondContact N-OD1 3.34Å; R94-N115 PolarHBondContact O-N 3.34Å; R94-N115 PolarHBondContact O-OD1 3.09Å; N115-E119 CarbonylContact C-O 3.51Å; N115-E119 VanDerWaalsContact CA-O 3.28Å; N115-E119 WeakPolarHBondContact CA-O 3.48Å; N115-L120 HydrophobicContact CB-CD1 3.91Å; N115-P148 HydrophobicContact CB-CB 3.85Å; N115-P148 HydrophobicContact CB-CG 4.38Å; N115-P148 PolarHBondContact ND2-O 2.99Å
116	I	93.5	Very high	87.9	Confident	54 Å²	54	39.2 Å²	39.2	28%	0.277	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	106.7	170.8	-56.6	176.4	0	0	0	108.1	F114 R118 E119	F114-I116 HydrophobicContact CD2-CD1 4.03Å; F114-I116 HydrophobicContact CD2-CG1 3.99Å; F114-I116 HydrophobicContact CE2-CD1 3.75Å; F114-I116 HydrophobicContact CE2-CG1 4.17Å; I116-R118 PolarHBondContact O-N 3.45Å; I116-E119 PolarHBondContact N-O 3.31Å; I116-E119 PolarHBondContact O-N 2.99Å
117	G	90.8	Very high	88.7	Confident	14 Å²	14	35.1 Å²	35.1	14%	0.144	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-103.1	-177.4	0	0	0	0	0	112.6	P148	G117-P148 WeakPolarHBondContact O-CD 3.39Å
118	R	94.4	Very high	89.3	Confident	128 Å²	128	29.2 Å²	29.2	48%	0.483	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-3.6	-179.4	-73	177.8	-174	-154.3	1.2	113.8	I116 Y143 K144 Q147	I116-R118 PolarHBondContact O-N 3.45Å; R118-Y143 WeakPolarHBondContact CB-O 3.38Å; R118-Y143 WeakPolarHBondContact CD-O 3.31Å; R118-Y143 WeakPolarHBondContact CG-O 3.17Å; R118-Y143 WeakPolarHBondContact O-CD2 3.49Å; R118-Y143 PolarHBondContact O-N 2.93Å; R118-K144 PolarHBondContact NH1-O 2.74Å; R118-K144 VanDerWaalsContact NH1-O 3.13Å; R118-Q147 HydrophobicContact CG-CG 3.79Å
119	E	95.4	Very high	89.8	Confident	48 Å²	48	31.1 Å²	31.1	22%	0.224	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	145.4	-174.3	-55.7	-170.6	132.7	0	0	110.6	N115 I116 Y121 K140 R141 I142	N115-E119 CarbonylContact C-O 3.51Å; N115-E119 VanDerWaalsContact CA-O 3.28Å; N115-E119 WeakPolarHBondContact CA-O 3.48Å; I116-E119 PolarHBondContact N-O 3.31Å; I116-E119 PolarHBondContact O-N 2.99Å; E119-Y121 HydrophobicContact CB-CD2 4.25Å; E119-Y121 HydrophobicContact CB-CE2 3.56Å; E119-Y121 WeakPolarHBondContact OE2-CE2 3.35Å; E119-Y121 PolarHBondContact OE2-OH 2.84Å; E119-K140 VanDerWaalsContact OE1-CE 3.25Å; E119-K140 WeakPolarHBondContact OE1-CE 3.46Å; E119-K140 IonicContact OE1-NZ 2.69Å; E119-K140 PolarHBondContact OE1-NZ 2.81Å; E119-K140 IonicContact OE2-NZ 2.74Å; E119-R141 CarbonylContact C-O 3.57Å; E119-R141 VanDerWaalsContact CA-O 3.31Å; E119-R141 WeakPolarHBondContact CA-O 3.43Å; E119-I142 HydrophobicContact CG-CG1 4.3Å
120	L	96.8	Very high	89.4	Confident	8 Å²	8	36.4 Å²	36.4	4%	0.042	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.1	172.9	-171.5	77.6	0	0	0	108.2	N115 K140 R141 Y143 L165 V167	N115-L120 HydrophobicContact CB-CD1 3.91Å; L120-K140 WeakPolarHBondContact O-CA 3.49Å; L120-R141 HydrophobicContact CB-CB 4.37Å; L120-R141 PolarHBondContact N-O 2.9Å; L120-R141 PolarHBondContact O-N 2.87Å; L120-Y143 HydrophobicContact CB-CE2 3.92Å; L120-Y143 HydrophobicContact CD2-CE2 4.46Å; L120-L165 HydrophobicContact CD2-CD2 4.29Å; L120-V167 HydrophobicContact CD2-CG1 4.45Å; L120-V167 HydrophobicContact CD2-CG2 3.77Å
121	Y	96.3	Very high	88.5	Confident	21 Å²	21	36.2 Å²	36.2	8%	0.082	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.8	-173.8	-72.7	-88.1	0	0	0	110.7	C113 F114 E119 Y123 K140	C113-Y121 VanDerWaalsContact CA-O 3.26Å; C113-Y121 WeakPolarHBondContact CA-O 3.36Å; F114-Y121 HydrophobicContact CD2-CD2 4.12Å; F114-Y121 HydrophobicContact CD2-CG 4.49Å; F114-Y121 HydrophobicContact CE1-CG 4.37Å; F114-Y121 AromaticContact CE2-CD2 3.48Å; F114-Y121 HydrophobicContact CE2-CD2 3.48Å; F114-Y121 VanDerWaalsContact CE2-CD2 3.48Å; F114-Y121 HydrophobicContact CE2-CE2 4.29Å; F114-Y121 AromaticContact CE2-CG 3.71Å; F114-Y121 HydrophobicContact CE2-CG 3.71Å; F114-Y121 HydrophobicContact CZ-CD1 4.33Å; F114-Y121 AromaticContact CZ-CD2 3.91Å; F114-Y121 HydrophobicContact CZ-CD2 3.91Å; F114-Y121 AromaticContact CZ-CG 3.63Å; F114-Y121 HydrophobicContact CZ-CG 3.63Å; F114-Y121 PolarHBondContact N-O 3.17Å; F114-Y121 VanDerWaalsContact N-O 3.12Å; F114-Y121 PolarHBondContact O-N 2.79Å; E119-Y121 HydrophobicContact CB-CD2 4.25Å; E119-Y121 HydrophobicContact CB-CE2 3.56Å; E119-Y121 WeakPolarHBondContact OE2-CE2 3.35Å; E119-Y121 PolarHBondContact OE2-OH 2.84Å; Y121-Y123 AromaticContact CD1-CE2 3.76Å; Y121-Y123 HydrophobicContact CD1-CE2 3.76Å; Y121-Y123 HydrophobicContact CG-CE2 4.11Å; Y121-K140 HydrophobicContact CD1-CD 4.3Å; Y121-K140 HydrophobicContact CD1-CG 4.23Å; Y121-K140 HydrophobicContact CE1-CD 3.63Å; Y121-K140 HydrophobicContact CE1-CG 4.01Å; Y121-K140 WeakPolarHBondContact OH-CE 3.25Å; Y121-K140 PolarHBondContact OH-NZ 3.46Å
122	F	95.4	Very high	87.7	Confident	5 Å²	5	35.6 Å²	35.6	2%	0.022	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.6	175.7	-175.9	-117.4	0	0	0	110.6	R111 V112 C113 I138 D139 F153 P179 I180	R111-F122 HydrophobicContact CB-CD2 4.44Å; R111-F122 HydrophobicContact CB-CE2 3.43Å; R111-F122 VanDerWaalsContact CB-CE2 3.43Å; R111-F122 HydrophobicContact CB-CZ 3.6Å; R111-F122 HydrophobicContact CG-CE1 4.48Å; R111-F122 HydrophobicContact CG-CE2 3.99Å; R111-F122 HydrophobicContact CG-CZ 3.58Å; V112-F122 WeakPolarHBondContact O-CA 3.45Å; V112-F122 WeakPolarHBondContact O-CD2 3.38Å; C113-F122 HydrophobicContact CB-CD2 4.3Å; F122-I138 HydrophobicContact CD1-CB 3.54Å; F122-I138 HydrophobicContact CD1-CD1 3.94Å; F122-I138 HydrophobicContact CD1-CG1 4.34Å; F122-I138 HydrophobicContact CD1-CG2 3.58Å; F122-I138 HydrophobicContact CE1-CB 4.04Å; F122-I138 HydrophobicContact CE1-CD1 3.73Å; F122-I138 HydrophobicContact CE1-CG2 3.75Å; F122-I138 HydrophobicContact CG-CB 4.49Å; F122-I138 HydrophobicContact CZ-CD1 4.49Å; F122-I138 PolarHBondContact O-N 2.88Å; F122-D139 HydrophobicContact CB-CB 4.18Å; F122-D139 PolarHBondContact N-O 3.19Å; F122-D139 PolarHBondContact O-N 2.91Å; F122-F153 HydrophobicContact CD2-CE1 4.37Å; F122-F153 AromaticContact CD2-CZ 3.75Å; F122-F153 HydrophobicContact CD2-CZ 3.75Å; F122-F153 AromaticContact CE2-CE1 3.8Å; F122-F153 HydrophobicContact CE2-CE1 3.8Å; F122-F153 HydrophobicContact CE2-CE2 4.42Å; F122-F153 AromaticContact CE2-CZ 3.4Å; F122-F153 HydrophobicContact CE2-CZ 3.4Å; F122-P179 HydrophobicContact CB-CB 4.24Å; F122-P179 HydrophobicContact CD1-CB 3.31Å; F122-P179 HydrophobicContact CD1-CG 4.18Å; F122-P179 HydrophobicContact CD2-CB 4.26Å; F122-P179 HydrophobicContact CD2-CG 4.29Å; F122-P179 HydrophobicContact CE1-CB 3.59Å; F122-P179 HydrophobicContact CE1-CG 4.29Å; F122-P179 HydrophobicContact CE2-CB 4.44Å; F122-P179 HydrophobicContact CE2-CG 4.35Å; F122-P179 HydrophobicContact CG-CB 3.69Å; F122-P179 HydrophobicContact CG-CG 4.19Å; F122-P179 HydrophobicContact CZ-CB 4.13Å; F122-P179 HydrophobicContact CZ-CG 4.35Å; F122-I180 HydrophobicContact CE1-CG1 3.98Å; F122-I180 HydrophobicContact CZ-CG1 4.31Å
123	Y	92.3	Very high	87	Confident	11 Å²	11	39.4 Å²	39.4	4%	0.043	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159.1	-176.6	-69.8	-92	0	0	0	112.1	R111 V112 F114 Y121 V132 D133 L134 P137	R111-Y123 WeakPolarHBondContact CA-O 3.28Å; V112-Y123 PolarHBondContact N-O 2.87Å; V112-Y123 PolarHBondContact O-N 2.92Å; F114-Y123 AromaticContact CE1-CD2 3.68Å; F114-Y123 HydrophobicContact CE1-CD2 3.68Å; F114-Y123 AromaticContact CE1-CE2 3.78Å; F114-Y123 HydrophobicContact CE1-CE2 3.78Å; F114-Y123 HydrophobicContact CZ-CD2 4.21Å; F114-Y123 AromaticContact CZ-CE2 3.8Å; F114-Y123 HydrophobicContact CZ-CE2 3.8Å; Y121-Y123 AromaticContact CD1-CE2 3.76Å; Y121-Y123 HydrophobicContact CD1-CE2 3.76Å; Y121-Y123 HydrophobicContact CG-CE2 4.11Å; Y123-V132 HydrophobicContact CD1-CG1 3.52Å; Y123-V132 HydrophobicContact CE1-CG1 4.3Å; Y123-V132 HydrophobicContact CG-CG1 3.69Å; Y123-D133 WeakPolarHBondContact CE1-O 3.35Å; Y123-L134 PolarHBondContact OH-O 2.92Å; Y123-P137 HydrophobicContact CD1-CB 4.33Å; Y123-P137 HydrophobicContact CE1-CB 3.75Å; Y123-P137 HydrophobicContact CE1-CG 4.49Å; Y123-P137 HydrophobicContact CE2-CB 4.1Å
124	T	89.3	Confident	86.4	Confident	60 Å²	60	41 Å²	41	37%	0.368	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.4	159.6	-55.2	0	0	0	0	109	T126	T124-T126 HydrophobicContact CG2-CG2 4.21Å
125	Y	85.1	Confident	85.8	Confident	8 Å²	8	45 Å²	45	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.5	172.5	-170	-111.6	0	0	0	109.1	M97 E110 V112 N127 V132 M638 I643 T653	M97-Y125 HydrophobicContact CE-CD1 3.23Å; M97-Y125 HydrophobicContact CE-CD2 4.05Å; M97-Y125 HydrophobicContact CE-CE1 3.66Å; M97-Y125 HydrophobicContact CE-CE2 4.42Å; M97-Y125 HydrophobicContact CE-CG 3.45Å; M97-Y125 VanDerWaalsContact CE-CG 3.45Å; E110-Y125 HydrophobicContact CB-CD1 4.42Å; E110-Y125 PolarHBondContact O-N 3.4Å; V112-Y125 HydrophobicContact CB-CD2 4.46Å; V112-Y125 HydrophobicContact CG1-CD2 4.28Å; Y125-N127 WeakPolarHBondContact CD1-OD1 3.27Å; Y125-N127 HydrophobicContact CE1-CB 4.04Å; Y125-N127 WeakPolarHBondContact CE1-OD1 3.32Å; Y125-V132 HydrophobicContact CD2-CG2 4.15Å; Y125-M638 HydrophobicContact CD1-CE 4.1Å; Y125-M638 HydrophobicContact CE1-CE 3.65Å; Y125-M638 HydrophobicContact CE1-SD 3.92Å; Y125-I643 HydrophobicContact CE1-CD1 4.23Å; Y125-I643 HydrophobicContact CE2-CD1 4.34Å; Y125-T653 WeakPolarHBondContact OH-CG2 3.44Å; Y125-T653 PolarHBondContact OH-OG1 2.95Å
126	T	77.6	Confident	85.4	Confident	48 Å²	48	52.3 Å²	52.3	29%	0.294	26%	0.261	S	S	.	.			trans	-113.1	27.6	-178	44.5	0	0	0	0	111.8	T124 I128 K129 K130	T124-T126 HydrophobicContact CG2-CG2 4.21Å; T126-I128 PolarHBondContact O-N 2.82Å; T126-K129 WeakPolarHBondContact O-CB 3.43Å; T126-K129 PolarHBondContact O-N 3.47Å; T126-K130 PolarHBondContact OG1-O 3.28Å
127	N	75.9	Confident	85.4	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.043	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	-133.4	-176.6	-49.6	-4.4	0	0	0	112.5	E110 Y125 K129 D640	E110-N127 PolarHBondContact OE2-OD1 3.1Å; Y125-N127 WeakPolarHBondContact CD1-OD1 3.27Å; Y125-N127 HydrophobicContact CE1-CB 4.04Å; Y125-N127 WeakPolarHBondContact CE1-OD1 3.32Å; N127-K129 VanDerWaalsContact C-N 3.28Å; N127-K129 PolarHBondContact O-N 3.11Å; N127-D640 WeakPolarHBondContact CB-OD2 3.23Å
128	I	79.7	Confident	85.5	Confident	18 Å²	18	53.4 Å²	53.4	9%	0.092	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.4	177.7	70.5	-179.7	0	0	0	113.8	L28 T126 D640 C641 T653 A655 K659	L28-I128 HydrophobicContact CD1-CB 3.68Å; L28-I128 HydrophobicContact CD1-CG2 3.61Å; T126-I128 PolarHBondContact O-N 2.82Å; I128-D640 HydrophobicContact CD1-CB 4.11Å; I128-D640 WeakPolarHBondContact CG1-OD2 3.45Å; I128-C641 HydrophobicContact CG2-CB 3.8Å; I128-T653 HydrophobicContact CG2-CG2 4.19Å; I128-A655 HydrophobicContact CG2-CB 4.25Å; I128-K659 VanDerWaalsContact CD1-C 3.43Å; I128-K659 HydrophobicContact CD1-CB 3.64Å; I128-K659 WeakPolarHBondContact CD1-O 3.41Å
129	K	75.3	Confident	85.5	Confident	136 Å²	136	48.5 Å²	48.5	59%	0.591	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-36	-171.4	-60.2	175	-176.6	165.5	0	112.3	T126 N127	T126-K129 WeakPolarHBondContact O-CB 3.43Å; T126-K129 PolarHBondContact O-N 3.47Å; N127-K129 VanDerWaalsContact C-N 3.28Å; N127-K129 PolarHBondContact O-N 3.11Å
130	K	73.7	Confident	85.5	Confident	145 Å²	145	50.1 Å²	50.1	63%	0.63	26%	0.255	S	S	*	.	S	Bend	trans	-153.9	143.9	-176.4	-171.6	-178.6	177.2	-177.6	0	110.7	T126	T126-K130 PolarHBondContact OG1-O 3.28Å
131	A	68.9	Low	85.5	Confident	14 Å²	14	51.9 Å²	51.9	12%	0.116	26%	0.261	C	S	.	.			trans	-63.7	139.1	170.2	0	0	0	0	0	112.1	L30 D133 S671 T673	L30-A131 HydrophobicContact CD2-CB 3.4Å; A131-D133 PolarHBondContact O-N 2.87Å; A131-S671 VanDerWaalsContact CB-OG 3.29Å; A131-S671 WeakPolarHBondContact CB-OG 3.37Å; A131-S671 PolarHBondContact N-O 3.44Å; A131-T673 WeakPolarHBondContact CA-OG1 3.24Å
132	V	76.2	Confident	85.5	Confident	14 Å²	14	55.9 Å²	55.9	9%	0.085	28%	0.283	C	S	.	.			trans	-66.9	127.8	171.5	-178.6	0	0	0	0	109.7	Y123 Y125 L134 T673	Y123-V132 HydrophobicContact CD1-CG1 3.52Å; Y123-V132 HydrophobicContact CE1-CG1 4.3Å; Y123-V132 HydrophobicContact CG-CG1 3.69Å; Y125-V132 HydrophobicContact CD2-CG2 4.15Å; V132-L134 HydrophobicContact CB-CD2 4.31Å; V132-L134 HydrophobicContact CG1-CD2 4.07Å; V132-L134 PolarHBondContact O-N 3.12Å; V132-L134 VanDerWaalsContact O-N 3.09Å; V132-T673 HydrophobicContact CB-CG2 3.57Å; V132-T673 HydrophobicContact CG2-CG2 3.58Å; V132-T673 PolarHBondContact N-OG1 3Å; V132-T673 VanDerWaalsContact N-OG1 3.11Å
133	D	79.6	Confident	85.5	Confident	83 Å²	83	57.1 Å²	57.1	44%	0.444	29%	0.288	S	S	.	.			trans	-76.4	94.2	173.5	-177.7	-1.2	0	0	0	110.1	Y123 A131 S135 K136	Y123-D133 WeakPolarHBondContact CE1-O 3.35Å; A131-D133 PolarHBondContact O-N 2.87Å; D133-S135 PolarHBondContact O-N 3.2Å; D133-S135 VanDerWaalsContact O-N 3.12Å; D133-S135 WeakPolarHBondContact OD1-CB 3.35Å; D133-S135 PolarHBondContact OD1-N 3.35Å; D133-S135 VanDerWaalsContact OD1-N 3.1Å; D133-S135 PolarHBondContact OD1-OG 2.81Å; D133-K136 PolarHBondContact O-N 2.9Å; D133-K136 VanDerWaalsContact O-N 3.16Å
134	L	83.6	Confident	85.4	Confident	35 Å²	35	65.4 Å²	65.4	18%	0.183	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.7	-177.5	-55.7	-174.2	0	0	0	113.7	Y123 V132 K136 V675	Y123-L134 PolarHBondContact OH-O 2.92Å; V132-L134 HydrophobicContact CB-CD2 4.31Å; V132-L134 HydrophobicContact CG1-CD2 4.07Å; V132-L134 PolarHBondContact O-N 3.12Å; V132-L134 VanDerWaalsContact O-N 3.09Å; L134-K136 PolarHBondContact O-N 3.07Å; L134-V675 HydrophobicContact CD1-CG1 4.36Å; L134-V675 HydrophobicContact CD2-CB 3.98Å; L134-V675 HydrophobicContact CD2-CG1 3.4Å; L134-V675 HydrophobicContact CD2-CG2 3.95Å
135	S	85.6	Confident	85.3	Confident	88 Å²	88	66 Å²	66	62%	0.615	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-16.5	179.6	73.4	0	0	0	0	113.4	D133 P137	D133-S135 PolarHBondContact O-N 3.2Å; D133-S135 VanDerWaalsContact O-N 3.12Å; D133-S135 WeakPolarHBondContact OD1-CB 3.35Å; D133-S135 PolarHBondContact OD1-N 3.35Å; D133-S135 VanDerWaalsContact OD1-N 3.1Å; D133-S135 PolarHBondContact OD1-OG 2.81Å; S135-P137 WeakPolarHBondContact O-CD 3.01Å
136	K	88.9	Confident	85.6	Confident	153 Å²	153	66.8 Å²	66.8	67%	0.665	35%	0.348	S	S	*	.	S	Bend	trans	-129	69.6	-173.3	-66	176.5	-172	170	0	111.9	D133 L134	D133-K136 PolarHBondContact O-N 2.9Å; D133-K136 VanDerWaalsContact O-N 3.16Å; L134-K136 PolarHBondContact O-N 3.07Å
137	P	92.3	Very high	86.5	Confident	43 Å²	43	66.4 Å²	66.4	28%	0.279	34%	0.343	S	S	.	.			trans	-60.4	144	170.1	25.9	-32.3	0	0	0	110.6	Y123 S135 D139 K140	Y123-P137 HydrophobicContact CD1-CB 4.33Å; Y123-P137 HydrophobicContact CE1-CB 3.75Å; Y123-P137 HydrophobicContact CE1-CG 4.49Å; Y123-P137 HydrophobicContact CE2-CB 4.1Å; S135-P137 WeakPolarHBondContact O-CD 3.01Å; P137-D139 VanDerWaalsContact C-N 3.34Å; P137-K140 HydrophobicContact CB-CB 4.32Å; P137-K140 HydrophobicContact CG-CB 4.01Å
138	I	92.8	Very high	87.6	Confident	48 Å²	48	66 Å²	66	25%	0.246	34%	0.341	C	S	.	.	S	Bend	trans	-63.8	-47.1	169.2	-61.6	169.9	0	0	0	108.6	F122 K182	F122-I138 HydrophobicContact CD1-CB 3.54Å; F122-I138 HydrophobicContact CD1-CD1 3.94Å; F122-I138 HydrophobicContact CD1-CG1 4.34Å; F122-I138 HydrophobicContact CD1-CG2 3.58Å; F122-I138 HydrophobicContact CE1-CB 4.04Å; F122-I138 HydrophobicContact CE1-CD1 3.73Å; F122-I138 HydrophobicContact CE1-CG2 3.75Å; F122-I138 HydrophobicContact CG-CB 4.49Å; F122-I138 HydrophobicContact CZ-CD1 4.49Å; F122-I138 PolarHBondContact O-N 2.88Å; I138-K182 WeakPolarHBondContact O-CE 3.47Å; I138-K182 PolarHBondContact O-NZ 3.38Å
139	D	95	Very high	88.4	Confident	24 Å²	24	65.6 Å²	65.6	13%	0.128	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	145.4	171.3	-164.1	22.3	0	0	0	110.4	F122 P137 R141 P179	F122-D139 HydrophobicContact CB-CB 4.18Å; F122-D139 PolarHBondContact N-O 3.19Å; F122-D139 PolarHBondContact O-N 2.91Å; P137-D139 VanDerWaalsContact C-N 3.34Å; D139-R141 IonicContact OD2-CZ 2.76Å; D139-R141 IonicContact OD2-NE 3.05Å; D139-R141 PolarHBondContact OD2-NE 2.9Å; D139-R141 IonicContact OD2-NH2 3.24Å; D139-R141 PolarHBondContact OD2-NH2 2.82Å; D139-P179 HydrophobicContact CB-CB 4.11Å
140	K	95.4	Very high	89.5	Confident	82 Å²	82	59.5 Å²	59.5	36%	0.357	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.6	174	176.5	178.7	175.2	164.9	0	108.5	E119 L120 Y121 P137	E119-K140 VanDerWaalsContact OE1-CE 3.25Å; E119-K140 WeakPolarHBondContact OE1-CE 3.46Å; E119-K140 IonicContact OE1-NZ 2.69Å; E119-K140 PolarHBondContact OE1-NZ 2.81Å; E119-K140 IonicContact OE2-NZ 2.74Å; L120-K140 WeakPolarHBondContact O-CA 3.49Å; Y121-K140 HydrophobicContact CD1-CD 4.3Å; Y121-K140 HydrophobicContact CD1-CG 4.23Å; Y121-K140 HydrophobicContact CE1-CD 3.63Å; Y121-K140 HydrophobicContact CE1-CG 4.01Å; Y121-K140 WeakPolarHBondContact OH-CE 3.25Å; Y121-K140 PolarHBondContact OH-NZ 3.46Å; P137-K140 HydrophobicContact CB-CB 4.32Å; P137-K140 HydrophobicContact CG-CB 4.01Å
141	R	95.8	Very high	90.7	Very high	46 Å²	46	53 Å²	53	17%	0.174	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.7	178.4	-59.2	-166.2	176.8	-146.6	-4.3	111.4	E119 L120 D139 Y143	E119-R141 CarbonylContact C-O 3.57Å; E119-R141 VanDerWaalsContact CA-O 3.31Å; E119-R141 WeakPolarHBondContact CA-O 3.43Å; L120-R141 HydrophobicContact CB-CB 4.37Å; L120-R141 PolarHBondContact N-O 2.9Å; L120-R141 PolarHBondContact O-N 2.87Å; D139-R141 IonicContact OD2-CZ 2.76Å; D139-R141 IonicContact OD2-NE 3.05Å; D139-R141 PolarHBondContact OD2-NE 2.9Å; D139-R141 IonicContact OD2-NH2 3.24Å; D139-R141 PolarHBondContact OD2-NH2 2.82Å; R141-Y143 HydrophobicContact CB-CE2 3.96Å
142	I	96.5	Very high	92.2	Very high	105 Å²	105	53 Å²	53	54%	0.538	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.7	178.3	-54.8	178	0	0	0	108.9	E119	E119-I142 HydrophobicContact CG-CG1 4.3Å
143	Y	95.5	Very high	93.2	Very high	30 Å²	30	52.4 Å²	52.4	12%	0.118	28%	0.28	C	S	.	.			trans	-100.7	114.6	-178.2	-61.3	-85	0	0	0	111	R118 L120 R141 T146 P148 F169 Q175	R118-Y143 WeakPolarHBondContact CB-O 3.38Å; R118-Y143 WeakPolarHBondContact CD-O 3.31Å; R118-Y143 WeakPolarHBondContact CG-O 3.17Å; R118-Y143 WeakPolarHBondContact O-CD2 3.49Å; R118-Y143 PolarHBondContact O-N 2.93Å; L120-Y143 HydrophobicContact CB-CE2 3.92Å; L120-Y143 HydrophobicContact CD2-CE2 4.46Å; R141-Y143 HydrophobicContact CB-CE2 3.96Å; Y143-T146 WeakPolarHBondContact CB-O 3.41Å; Y143-P148 HydrophobicContact CD2-CG 3.66Å; Y143-P148 HydrophobicContact CE2-CG 3.82Å; Y143-F169 AromaticContact CD1-CE1 3.59Å; Y143-F169 HydrophobicContact CD1-CE1 3.59Å; Y143-F169 AromaticContact CD1-CZ 3.89Å; Y143-F169 HydrophobicContact CD1-CZ 3.89Å; Y143-F169 HydrophobicContact CD2-CE1 4.1Å; Y143-F169 AromaticContact CE1-CE1 3.58Å; Y143-F169 HydrophobicContact CE1-CE1 3.58Å; Y143-F169 AromaticContact CE1-CZ 3.39Å; Y143-F169 HydrophobicContact CE1-CZ 3.39Å; Y143-F169 HydrophobicContact CE2-CE1 4.1Å; Y143-F169 HydrophobicContact CE2-CZ 4.3Å; Y143-F169 AromaticContact CG-CE1 3.86Å; Y143-F169 HydrophobicContact CG-CE1 3.86Å; Y143-F169 AromaticContact CZ-CE1 3.84Å; Y143-F169 AromaticContact CZ-CZ 3.63Å; Y143-Q175 VanDerWaalsContact CE1-OE1 3.22Å; Y143-Q175 PolarHBondContact OH-OE1 3.25Å
144	K	90.4	Very high	94.1	Very high	186 Å²	186	48.6 Å²	48.6	81%	0.809	26%	0.259	S	S	*	.	S	Bend	trans	-80.9	-23.2	-174.5	-66.3	-177.7	-179.6	177.7	0	114.4	R118	R118-K144 PolarHBondContact NH1-O 2.74Å; R118-K144 VanDerWaalsContact NH1-O 3.13Å
145	G	87.3	Confident	94.6	Very high	72 Å²	72	51.6 Å²	51.6	74%	0.742	27%	0.272	S	S	*	.	S	Bend	trans	-108.6	-62.6	-173.3	0	0	0	0	0	113.9
146	T	92.6	Very high	95	Very high	25 Å²	25	53 Å²	53	15%	0.153	27%	0.265	C	S	.	.	S	Bend	trans	-106	161.3	178.4	-170.8	0	0	0	0	111	Y143 F169 S170 A171	Y143-T146 WeakPolarHBondContact CB-O 3.41Å; T146-F169 HydrophobicContact CG2-CB 3.71Å; T146-F169 HydrophobicContact CG2-CD1 3.46Å; T146-F169 VanDerWaalsContact CG2-CD1 3.46Å; T146-F169 HydrophobicContact CG2-CE1 4.23Å; T146-F169 HydrophobicContact CG2-CG 3.66Å; T146-F169 WeakPolarHBondContact OG1-CB 3.19Å; T146-S170 PolarHBondContact OG1-N 2.93Å; T146-S170 PolarHBondContact OG1-OG 2.95Å; T146-A171 PolarHBondContact OG1-N 2.85Å
147	Q	95.6	Very high	95.2	Very high	40 Å²	40	47.4 Å²	47.4	19%	0.187	25%	0.245	C	C	.	.			trans	-113.7	136.9	-175.6	-67.4	175.1	68.9	0	0	109.6	P91 R118 F169 S170	P91-Q147 HydrophobicContact CG-CB 3.64Å; R118-Q147 HydrophobicContact CG-CG 3.79Å; Q147-F169 WeakPolarHBondContact O-CA 3.35Å; Q147-S170 PolarHBondContact N-OG 2.86Å; Q147-S170 PolarHBondContact O-N 3.13Å
148	P	98.2	Very high	95.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	137.1	172	-22.4	32.4	0	0	0	111.3	P91 N115 G117 Y143 V167 G168 F169	P91-P148 VanDerWaalsContact CB-O 3.26Å; P91-P148 WeakPolarHBondContact CB-O 3.44Å; N115-P148 HydrophobicContact CB-CB 3.85Å; N115-P148 HydrophobicContact CB-CG 4.38Å; N115-P148 PolarHBondContact ND2-O 2.99Å; G117-P148 WeakPolarHBondContact O-CD 3.39Å; Y143-P148 HydrophobicContact CD2-CG 3.66Å; Y143-P148 HydrophobicContact CE2-CG 3.82Å; P148-V167 HydrophobicContact CB-CG1 3.93Å; P148-V167 HydrophobicContact CG-CG1 4.39Å; P148-G168 CarbonylContact C-O 3.48Å; P148-G168 WeakPolarHBondContact CA-O 3.48Å; P148-F169 HydrophobicContact CB-CE1 4.46Å; P148-F169 HydrophobicContact CG-CD1 4.44Å; P148-F169 HydrophobicContact CG-CE1 3.97Å
149	T	98.3	Very high	95.3	Very high	9 Å²	9	45 Å²	45	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-30	179.3	56.7	0	0	0	0	113.2	P91 R94 G168 V199	P91-T149 HydrophobicContact CB-CG2 4.19Å; P91-T149 HydrophobicContact CG-CG2 4.3Å; R94-T149 WeakPolarHBondContact CG-O 3.44Å; T149-G168 PolarHBondContact N-O 2.55Å; T149-G168 PolarHBondContact OG1-O 3.47Å; T149-V199 WeakPolarHBondContact CB-O 3.31Å; T149-V199 PolarHBondContact OG1-O 3.27Å
150	C	98.4	Very high	95	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.054	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	162.6	179.6	54.5	0	0	0	0	109.2	G168	C150-G168 PolarHBondContact O-N 2.93Å
151	H	98.8	Very high	94.8	Very high	8 Å²	8	46 Å²	46	4%	0.037	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	159	178.6	45.1	42.5	0	0	0	110.3	R94 S96 L165 I166 V167	R94-H151 PolarHBondContact O-CE1 3.29Å; R94-H151 PolarHBondContact O-NE2 2.86Å; S96-H151 PolarHBondContact OG-CE1 2.93Å; S96-H151 PolarHBondContact OG-ND1 3.49Å; S96-H151 PolarHBondContact OG-O 2.86Å; H151-L165 HydrophobicContact CB-CD1 4.08Å; H151-I166 CarbonylContact C-O 3.55Å; H151-I166 WeakPolarHBondContact CA-O 3.39Å; H151-I166 WeakPolarHBondContact CB-O 3.32Å; H151-V167 HydrophobicContact CB-CB 4.5Å; H151-V167 HydrophobicContact CB-CG2 4.2Å
152	D	98.8	Very high	94.7	Very high	15 Å²	15	45.1 Å²	45.1	8%	0.08	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	138.7	-179.6	-160.4	54	0	0	0	111.5	L165 I166 L202 K203 W204	D152-L165 WeakPolarHBondContact O-CD1 3.48Å; D152-I166 HydrophobicContact CB-CD1 4.31Å; D152-I166 HydrophobicContact CB-CG1 4.06Å; D152-I166 PolarHBondContact N-O 3.49Å; D152-I166 WeakPolarHBondContact O-CG1 3.39Å; D152-I166 PolarHBondContact O-N 2.8Å; D152-L202 WeakPolarHBondContact CB-O 3.27Å; D152-K203 IonicContact OD1-NZ 2.82Å; D152-K203 PolarHBondContact OD1-NZ 3.41Å; D152-K203 WeakPolarHBondContact OD2-CA 3.45Å; D152-K203 WeakPolarHBondContact OD2-CD 2.94Å; D152-W204 PolarHBondContact O-NE1 3.32Å; D152-W204 PolarHBondContact OD2-N 3.43Å
153	F	98.4	Very high	94.6	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	142.3	174.5	-76.1	-65.2	0	0	0	110.8	S96 V98 C113 F122 Q155 V163 A164 L165	S96-F153 WeakPolarHBondContact O-CE2 3.42Å; V98-F153 HydrophobicContact CB-CB 3.7Å; V98-F153 HydrophobicContact CB-CD1 4.35Å; V98-F153 HydrophobicContact CB-CD2 3.65Å; V98-F153 HydrophobicContact CB-CE2 4.33Å; V98-F153 HydrophobicContact CB-CG 3.66Å; V98-F153 HydrophobicContact CG1-CB 4.24Å; V98-F153 HydrophobicContact CG1-CD1 3.94Å; V98-F153 HydrophobicContact CG1-CD2 3.59Å; V98-F153 HydrophobicContact CG1-CE1 4.13Å; V98-F153 HydrophobicContact CG1-CE2 3.79Å; V98-F153 HydrophobicContact CG1-CG 3.67Å; V98-F153 HydrophobicContact CG1-CZ 4.05Å; V98-F153 HydrophobicContact CG2-CB 4.02Å; V98-F153 HydrophobicContact CG2-CG 4.35Å; C113-F153 HydrophobicContact CB-CE2 3.48Å; C113-F153 VanDerWaalsContact CB-CE2 3.48Å; C113-F153 HydrophobicContact CB-CZ 3.42Å; C113-F153 VanDerWaalsContact CB-CZ 3.42Å; F122-F153 HydrophobicContact CD2-CE1 4.37Å; F122-F153 AromaticContact CD2-CZ 3.75Å; F122-F153 HydrophobicContact CD2-CZ 3.75Å; F122-F153 AromaticContact CE2-CE1 3.8Å; F122-F153 HydrophobicContact CE2-CE1 3.8Å; F122-F153 HydrophobicContact CE2-CE2 4.42Å; F122-F153 AromaticContact CE2-CZ 3.4Å; F122-F153 HydrophobicContact CE2-CZ 3.4Å; F153-Q155 PolarHBondContact O-N 3.04Å; F153-V163 HydrophobicContact CD1-CG1 3.21Å; F153-V163 HydrophobicContact CE1-CG1 3.36Å; F153-V163 HydrophobicContact CG-CG1 4.25Å; F153-V163 HydrophobicContact CZ-CG1 4.48Å; F153-A164 WeakPolarHBondContact CA-O 3.43Å; F153-L165 HydrophobicContact CD1-CB 3.98Å; F153-L165 HydrophobicContact CD1-CD1 3.76Å; F153-L165 HydrophobicContact CD1-CG 4.38Å; F153-L165 HydrophobicContact CE1-CB 3.83Å; F153-L165 HydrophobicContact CE1-CD1 3.7Å; F153-L165 HydrophobicContact CE1-CD2 4.1Å; F153-L165 HydrophobicContact CE1-CG 4.08Å; F153-L165 HydrophobicContact CE2-CD1 4.46Å; F153-L165 HydrophobicContact CG-CD1 4.19Å; F153-L165 HydrophobicContact CZ-CD1 4.06Å; F153-L165 HydrophobicContact CZ-CD2 4.37Å
154	N	97.4	Very high	94.7	Very high	3 Å²	3	39 Å²	39	2%	0.016	22%	0.215	C	C	.	.			trans	-75.5	96.9	166.8	-164.3	-29	0	0	0	108.9	Y156 S157 A158 A164 W204 S208 E209	N154-Y156 PolarHBondContact O-N 3.46Å; N154-Y156 WeakPolarHBondContact OD1-CB 3.23Å; N154-Y156 PolarHBondContact OD1-N 2.78Å; N154-S157 PolarHBondContact OD1-N 3.14Å; N154-A158 WeakPolarHBondContact O-CB 3.3Å; N154-A158 PolarHBondContact O-N 2.84Å; N154-A164 HydrophobicContact CB-CB 3.83Å; N154-A164 PolarHBondContact N-O 3.33Å; N154-W204 HydrophobicContact CB-CD2 3.75Å; N154-W204 HydrophobicContact CB-CE3 4.34Å; N154-W204 HydrophobicContact CB-CG 3.92Å; N154-W204 HydrophobicContact CB-CZ2 4.05Å; N154-W204 VanDerWaalsContact N-CD1 3.29Å; N154-W204 VanDerWaalsContact N-NE1 3.19Å; N154-S208 PolarHBondContact ND2-O 3.27Å; N154-E209 WeakPolarHBondContact ND2-CA 3.37Å; N154-E209 PolarHBondContact ND2-O 2.8Å
155	Q	94.5	Very high	95.1	Very high	97 Å²	97	30.2 Å²	30.2	45%	0.453	18%	0.177	S	C	.	.	S	Bend	trans	-64.5	-29.2	178.3	-56.2	-67.1	-27	0	0	112.3	M97 F153	M97-Q155 PolarHBondContact O-NE2 2.77Å; F153-Q155 PolarHBondContact O-N 3.04Å
156	Y	94.2	Very high	95.6	Very high	118 Å²	118	26.8 Å²	26.8	46%	0.463	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-39.2	-173.3	178.8	-103.4	0	0	0	111.8	Q101 N154 K207 E209	Q101-Y156 PolarHBondContact NE2-O 2.84Å; N154-Y156 PolarHBondContact O-N 3.46Å; N154-Y156 WeakPolarHBondContact OD1-CB 3.23Å; N154-Y156 PolarHBondContact OD1-N 2.78Å; Y156-K207 HydrophobicContact CD2-CB 4.31Å; Y156-K207 HydrophobicContact CE2-CB 4.3Å; Y156-E209 HydrophobicContact CD1-CG 3.74Å; Y156-E209 HydrophobicContact CE1-CG 3.72Å
157	S	94	Very high	95.9	Very high	36 Å²	36	25.6 Å²	25.6	25%	0.252	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	11.7	-175.7	73.8	0	0	0	0	114.3	N154	N154-S157 PolarHBondContact OD1-N 3.14Å
158	A	94	Very high	96.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.			trans	-79.1	122.9	-174.3	0	0	0	0	0	112.7	V98 L100 Q101 N154 V163	V98-A158 HydrophobicContact CG2-CB 3.55Å; L100-A158 HydrophobicContact CD2-CB 4.11Å; Q101-A158 WeakPolarHBondContact CG-O 3.47Å; Q101-A158 PolarHBondContact N-O 2.84Å; Q101-A158 VanDerWaalsContact N-O 3.14Å; N154-A158 WeakPolarHBondContact O-CB 3.3Å; N154-A158 PolarHBondContact O-N 2.84Å; A158-V163 HydrophobicContact CB-CG2 4.37Å
159	T	92.5	Very high	96.1	Very high	41 Å²	41	23.8 Å²	23.8	25%	0.252	13%	0.126	S	C	.	.			trans	-125.3	175.5	175.7	80.7	0	0	0	0	111.1	E161 S162	T159-E161 WeakPolarHBondContact CB-OE2 3.36Å; T159-E161 PolarHBondContact O-N 2.77Å; T159-E161 PolarHBondContact OG1-N 3.49Å; T159-E161 PolarHBondContact OG1-OE2 3.05Å; T159-S162 PolarHBondContact N-O 3.28Å; T159-S162 PolarHBondContact OG1-N 3.12Å
160	A	89	Confident	96	Very high	37 Å²	37	25.6 Å²	25.6	31%	0.306	14%	0.139	S	C	.	.	S	Bend	trans	-64.3	-25.6	175.8	0	0	0	0	0	113.1
161	E	90.4	Very high	95.9	Very high	90 Å²	90	26 Å²	26	42%	0.421	14%	0.143	S	C	.	.	S	Bend	trans	-98.1	-19.7	-176.5	-51.8	65.2	-135.8	0	0	113.1	T159 I180 K181	T159-E161 WeakPolarHBondContact CB-OE2 3.36Å; T159-E161 PolarHBondContact O-N 2.77Å; T159-E161 PolarHBondContact OG1-N 3.49Å; T159-E161 PolarHBondContact OG1-OE2 3.05Å; E161-I180 WeakPolarHBondContact O-CG2 3.42Å; E161-K181 WeakPolarHBondContact O-CE 3.49Å; E161-K181 WeakPolarHBondContact O-CG 3.43Å
162	S	93	Very high	95.9	Very high	27 Å²	27	25.7 Å²	25.7	19%	0.189	14%	0.142	C	C	.	.			trans	-149.3	129.8	-171.9	-153.1	0	0	0	0	111.9	T159 D178 K181	T159-S162 PolarHBondContact N-O 3.28Å; T159-S162 PolarHBondContact OG1-N 3.12Å; S162-D178 VanDerWaalsContact CA-OD2 3.26Å; S162-D178 WeakPolarHBondContact CA-OD2 3.38Å; S162-D178 WeakPolarHBondContact CB-OD2 3.22Å; S162-D178 PolarHBondContact OG-OD2 2.77Å; S162-K181 VanDerWaalsContact CB-NZ 3.33Å; S162-K181 VanDerWaalsContact OG-CE 3.3Å; S162-K181 WeakPolarHBondContact OG-CE 3.41Å; S162-K181 PolarHBondContact OG-NZ 2.98Å
163	V	95.2	Very high	95.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.			trans	-138	112.4	175.8	172.8	0	0	0	0	109.1	V98 L100 F153 A158 L165 D178 P179 I180	V98-V163 HydrophobicContact CG1-CG1 4.13Å; L100-V163 HydrophobicContact CD2-CG2 3.33Å; F153-V163 HydrophobicContact CD1-CG1 3.21Å; F153-V163 HydrophobicContact CE1-CG1 3.36Å; F153-V163 HydrophobicContact CG-CG1 4.25Å; F153-V163 HydrophobicContact CZ-CG1 4.48Å; A158-V163 HydrophobicContact CB-CG2 4.37Å; V163-L165 PolarHBondContact O-N 3.25Å; V163-D178 PolarHBondContact N-OD1 2.48Å; V163-D178 PolarHBondContact N-OD2 2.8Å; V163-D178 VanDerWaalsContact N-OD2 3.09Å; V163-D178 WeakPolarHBondContact O-CA 3.11Å; V163-P179 WeakPolarHBondContact O-CD 3.22Å; V163-I180 HydrophobicContact CB-CD1 4.05Å; V163-I180 HydrophobicContact CB-CG1 4.39Å; V163-I180 HydrophobicContact CG2-CD1 3.48Å; V163-I180 VanDerWaalsContact CG2-CD1 3.48Å; V163-I180 HydrophobicContact CG2-CG1 4.31Å
164	A	97.4	Very high	95.9	Very high	6 Å²	6	26 Å²	26	5%	0.05	14%	0.143	C	C	.	.			trans	-76	120.6	175.1	0	0	0	0	0	111.1	F153 N154 Y176 W204	F153-A164 WeakPolarHBondContact CA-O 3.43Å; N154-A164 HydrophobicContact CB-CB 3.83Å; N154-A164 PolarHBondContact N-O 3.33Å; A164-Y176 HydrophobicContact CB-CE2 3.71Å; A164-W204 HydrophobicContact CB-CH2 4.27Å; A164-W204 HydrophobicContact CB-CZ2 3.86Å
165	L	98.5	Very high	96	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.2	176.8	178.4	61.5	0	0	0	110.1	L120 H151 D152 F153 V163 V167 Y176 L177 P179	L120-L165 HydrophobicContact CD2-CD2 4.29Å; H151-L165 HydrophobicContact CB-CD1 4.08Å; D152-L165 WeakPolarHBondContact O-CD1 3.48Å; F153-L165 HydrophobicContact CD1-CB 3.98Å; F153-L165 HydrophobicContact CD1-CD1 3.76Å; F153-L165 HydrophobicContact CD1-CG 4.38Å; F153-L165 HydrophobicContact CE1-CB 3.83Å; F153-L165 HydrophobicContact CE1-CD1 3.7Å; F153-L165 HydrophobicContact CE1-CD2 4.1Å; F153-L165 HydrophobicContact CE1-CG 4.08Å; F153-L165 HydrophobicContact CE2-CD1 4.46Å; F153-L165 HydrophobicContact CG-CD1 4.19Å; F153-L165 HydrophobicContact CZ-CD1 4.06Å; F153-L165 HydrophobicContact CZ-CD2 4.37Å; V163-L165 PolarHBondContact O-N 3.25Å; L165-V167 HydrophobicContact CD2-CG2 4.12Å; L165-V167 HydrophobicContact CG-CG2 3.96Å; L165-Y176 WeakPolarHBondContact O-CA 3.44Å; L165-L177 HydrophobicContact CB-CD1 4.29Å; L165-L177 HydrophobicContact CB-CG 4.41Å; L165-L177 HydrophobicContact CD2-CD1 4.13Å; L165-L177 PolarHBondContact N-O 2.9Å; L165-L177 PolarHBondContact O-N 2.96Å; L165-P179 HydrophobicContact CB-CG 4.17Å; L165-P179 HydrophobicContact CD2-CG 3.95Å
166	I	98.8	Very high	96.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.6	166.9	56	-179.4	0	0	0	110.4	H151 D152 V174 Q175 Y176 L202 W204 F212	H151-I166 CarbonylContact C-O 3.55Å; H151-I166 WeakPolarHBondContact CA-O 3.39Å; H151-I166 WeakPolarHBondContact CB-O 3.32Å; D152-I166 HydrophobicContact CB-CD1 4.31Å; D152-I166 HydrophobicContact CB-CG1 4.06Å; D152-I166 PolarHBondContact N-O 3.49Å; D152-I166 WeakPolarHBondContact O-CG1 3.39Å; D152-I166 PolarHBondContact O-N 2.8Å; I166-V174 HydrophobicContact CB-CG1 4.27Å; I166-Q175 CarbonylContact C-O 3.56Å; I166-Q175 VanDerWaalsContact CA-O 3.31Å; I166-Q175 WeakPolarHBondContact CA-O 3.44Å; I166-Y176 HydrophobicContact CG2-CD2 4.14Å; I166-L202 HydrophobicContact CB-CD1 4.49Å; I166-L202 HydrophobicContact CD1-CB 3.99Å; I166-L202 HydrophobicContact CD1-CD2 4.34Å; I166-L202 HydrophobicContact CG1-CB 4.34Å; I166-L202 HydrophobicContact CG1-CD1 4.38Å; I166-W204 HydrophobicContact CD1-CD2 4.38Å; I166-W204 HydrophobicContact CD1-CG 4.34Å; I166-W204 HydrophobicContact CG2-CH2 4.2Å; I166-W204 HydrophobicContact CG2-CZ2 3.53Å; I166-F212 HydrophobicContact CD1-CB 3.65Å; I166-F212 HydrophobicContact CD1-CD2 3.94Å; I166-F212 HydrophobicContact CD1-CG 3.85Å; I166-F212 HydrophobicContact CG2-CD1 4.29Å; I166-F212 HydrophobicContact CG2-CE1 4.44Å; I166-F212 HydrophobicContact CG2-CG 4.45Å
167	V	98.8	Very high	96.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.1	-178.1	-172.9	0	0	0	0	109.4	L120 P148 H151 L165 F169 V174 Q175 L177	L120-V167 HydrophobicContact CD2-CG1 4.45Å; L120-V167 HydrophobicContact CD2-CG2 3.77Å; P148-V167 HydrophobicContact CB-CG1 3.93Å; P148-V167 HydrophobicContact CG-CG1 4.39Å; H151-V167 HydrophobicContact CB-CB 4.5Å; H151-V167 HydrophobicContact CB-CG2 4.2Å; L165-V167 HydrophobicContact CD2-CG2 4.12Å; L165-V167 HydrophobicContact CG-CG2 3.96Å; V167-F169 HydrophobicContact CB-CE2 4.13Å; V167-F169 HydrophobicContact CB-CZ 4.12Å; V167-F169 HydrophobicContact CG1-CE1 4.15Å; V167-F169 HydrophobicContact CG1-CE2 4.04Å; V167-F169 HydrophobicContact CG1-CZ 3.7Å; V167-F169 WeakPolarHBondContact O-CD2 3.15Å; V167-F169 WeakPolarHBondContact O-CE2 3.33Å; V167-V174 CarbonylContact O-C 3.59Å; V167-V174 VanDerWaalsContact O-CA 3.27Å; V167-V174 WeakPolarHBondContact O-CA 3.19Å; V167-Q175 PolarHBondContact N-O 3.08Å; V167-Q175 PolarHBondContact O-N 3.11Å; V167-L177 HydrophobicContact CG2-CD2 4.13Å
168	G	98.7	Very high	96.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	149.2	179.8	0	0	0	0	0	111	P148 T149 C150	P148-G168 CarbonylContact C-O 3.48Å; P148-G168 WeakPolarHBondContact CA-O 3.48Å; T149-G168 PolarHBondContact N-O 2.55Å; T149-G168 PolarHBondContact OG1-O 3.47Å; C150-G168 PolarHBondContact O-N 2.93Å
169	F	98.6	Very high	96.4	Very high	3 Å²	3	17.2 Å²	17.2	1%	0.013	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	158.5	-170.9	-67.2	-81.2	0	0	0	114.1	Y143 T146 Q147 P148 V167 A171 G172 Q173 Q175 V199	Y143-F169 AromaticContact CD1-CE1 3.59Å; Y143-F169 HydrophobicContact CD1-CE1 3.59Å; Y143-F169 AromaticContact CD1-CZ 3.89Å; Y143-F169 HydrophobicContact CD1-CZ 3.89Å; Y143-F169 HydrophobicContact CD2-CE1 4.1Å; Y143-F169 AromaticContact CE1-CE1 3.58Å; Y143-F169 HydrophobicContact CE1-CE1 3.58Å; Y143-F169 AromaticContact CE1-CZ 3.39Å; Y143-F169 HydrophobicContact CE1-CZ 3.39Å; Y143-F169 HydrophobicContact CE2-CE1 4.1Å; Y143-F169 HydrophobicContact CE2-CZ 4.3Å; Y143-F169 AromaticContact CG-CE1 3.86Å; Y143-F169 HydrophobicContact CG-CE1 3.86Å; Y143-F169 AromaticContact CZ-CE1 3.84Å; Y143-F169 AromaticContact CZ-CZ 3.63Å; T146-F169 HydrophobicContact CG2-CB 3.71Å; T146-F169 HydrophobicContact CG2-CD1 3.46Å; T146-F169 VanDerWaalsContact CG2-CD1 3.46Å; T146-F169 HydrophobicContact CG2-CE1 4.23Å; T146-F169 HydrophobicContact CG2-CG 3.66Å; T146-F169 WeakPolarHBondContact OG1-CB 3.19Å; Q147-F169 WeakPolarHBondContact O-CA 3.35Å; P148-F169 HydrophobicContact CB-CE1 4.46Å; P148-F169 HydrophobicContact CG-CD1 4.44Å; P148-F169 HydrophobicContact CG-CE1 3.97Å; V167-F169 HydrophobicContact CB-CE2 4.13Å; V167-F169 HydrophobicContact CB-CZ 4.12Å; V167-F169 HydrophobicContact CG1-CE1 4.15Å; V167-F169 HydrophobicContact CG1-CE2 4.04Å; V167-F169 HydrophobicContact CG1-CZ 3.7Å; V167-F169 WeakPolarHBondContact O-CD2 3.15Å; V167-F169 WeakPolarHBondContact O-CE2 3.33Å; F169-A171 PolarHBondContact O-N 2.93Å; F169-G172 PolarHBondContact O-N 3.19Å; F169-G172 VanDerWaalsContact O-N 3.11Å; F169-Q173 HydrophobicContact CB-CB 4.32Å; F169-Q173 HydrophobicContact CD2-CB 4.08Å; F169-Q173 WeakPolarHBondContact CD2-O 3.48Å; F169-Q173 PolarHBondContact N-O 3.05Å; F169-Q175 HydrophobicContact CE2-CB 3.57Å; F169-Q175 HydrophobicContact CZ-CB 4.12Å; F169-V199 PolarHBondContact O-N 2.95Å; F169-V199 VanDerWaalsContact O-N 3.11Å
170	S	97.3	Very high	96.4	Very high	46 Å²	46	17.5 Å²	17.5	32%	0.322	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.6	-178.7	64.3	0	0	0	0	114.4	T146 Q147 K198	T146-S170 PolarHBondContact OG1-N 2.93Å; T146-S170 PolarHBondContact OG1-OG 2.95Å; Q147-S170 PolarHBondContact N-OG 2.86Å; Q147-S170 PolarHBondContact O-N 3.13Å; S170-K198 WeakPolarHBondContact O-CA 3.08Å; S170-K198 WeakPolarHBondContact O-CB 3.2Å
171	A	96.8	Very high	96.6	Very high	18 Å²	18	20.8 Å²	20.8	15%	0.149	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	5.5	177.4	0	0	0	0	0	114	T146 F169 Q173 R192	T146-A171 PolarHBondContact OG1-N 2.85Å; F169-A171 PolarHBondContact O-N 2.93Å; A171-Q173 VanDerWaalsContact C-OE1 3.31Å; A171-R192 PolarHBondContact O-NE 3.17Å
172	G	97.8	Very high	96.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	96.7	-0.7	174.2	0	0	0	0	0	115	F169 N189 S197 H216	F169-G172 PolarHBondContact O-N 3.19Å; F169-G172 VanDerWaalsContact O-N 3.11Å; G172-N189 PolarHBondContact O-ND2 3.41Å; G172-S197 WeakPolarHBondContact CA-O 3.38Å; G172-H216 PolarHBondContact O-CE1 3.44Å
173	Q	98.4	Very high	96	Very high	24 Å²	24	29.3 Å²	29.3	11%	0.112	14%	0.142	C	C	.	.			trans	-74	158.8	174.7	-57.6	91.5	-15.6	0	0	111.6	F169 A171 L187 F188 V199	F169-Q173 HydrophobicContact CB-CB 4.32Å; F169-Q173 HydrophobicContact CD2-CB 4.08Å; F169-Q173 WeakPolarHBondContact CD2-O 3.48Å; F169-Q173 PolarHBondContact N-O 3.05Å; A171-Q173 VanDerWaalsContact C-OE1 3.31Å; Q173-L187 HydrophobicContact CB-CD1 4.26Å; Q173-F188 WeakPolarHBondContact CA-O 3.32Å; Q173-V199 WeakPolarHBondContact O-CG2 3.5Å
174	V	98.8	Very high	95.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.6	166.2	-178.8	0	0	0	0	108.6	I166 V167 F188 V199 L202 F212 A214	I166-V174 HydrophobicContact CB-CG1 4.27Å; V167-V174 CarbonylContact O-C 3.59Å; V167-V174 VanDerWaalsContact O-CA 3.27Å; V167-V174 WeakPolarHBondContact O-CA 3.19Å; V174-F188 HydrophobicContact CB-CB 4.32Å; V174-F188 PolarHBondContact N-O 3.45Å; V174-F188 VanDerWaalsContact N-O 3.08Å; V174-F188 PolarHBondContact O-N 2.9Å; V174-V199 HydrophobicContact CG2-CG2 4.09Å; V174-L202 HydrophobicContact CG1-CD1 3.99Å; V174-L202 HydrophobicContact CG1-CD2 4.17Å; V174-L202 HydrophobicContact CG2-CD1 4.36Å; V174-L202 HydrophobicContact CG2-CD2 3.94Å; V174-F212 HydrophobicContact CB-CE2 4.4Å; V174-F212 HydrophobicContact CG1-CE2 3.82Å; V174-F212 HydrophobicContact CG1-CZ 4.04Å; V174-F212 HydrophobicContact CG2-CE2 4.49Å; V174-A214 HydrophobicContact CG2-CB 4.47Å
175	Q	98.4	Very high	95.5	Very high	19 Å²	19	34.9 Å²	34.9	9%	0.089	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.5	172.6	-176.3	178.6	26.1	0	0	109.3	Y143 I166 V167 F169 L177 S185 K186 L187	Y143-Q175 VanDerWaalsContact CE1-OE1 3.22Å; Y143-Q175 PolarHBondContact OH-OE1 3.25Å; I166-Q175 CarbonylContact C-O 3.56Å; I166-Q175 VanDerWaalsContact CA-O 3.31Å; I166-Q175 WeakPolarHBondContact CA-O 3.44Å; V167-Q175 PolarHBondContact N-O 3.08Å; V167-Q175 PolarHBondContact O-N 3.11Å; F169-Q175 HydrophobicContact CE2-CB 3.57Å; F169-Q175 HydrophobicContact CZ-CB 4.12Å; Q175-L177 HydrophobicContact CG-CB 4.5Å; Q175-L177 HydrophobicContact CG-CD2 4.02Å; Q175-S185 PolarHBondContact NE2-OG 3Å; Q175-K186 CarbonylContact C-O 3.57Å; Q175-K186 WeakPolarHBondContact CA-O 3.33Å; Q175-L187 HydrophobicContact CB-CD1 3.85Å; Q175-L187 HydrophobicContact CG-CD1 4.38Å
176	Y	98.4	Very high	95.4	Very high	46 Å²	46	37.9 Å²	37.9	18%	0.18	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.2	164.1	167.8	-98.2	0	0	0	108.7	A164 L165 I166 T184 S185 K186 W204 V226	A164-Y176 HydrophobicContact CB-CE2 3.71Å; L165-Y176 WeakPolarHBondContact O-CA 3.44Å; I166-Y176 HydrophobicContact CG2-CD2 4.14Å; Y176-T184 HydrophobicContact CD1-CG2 3.94Å; Y176-T184 HydrophobicContact CE1-CG2 3.37Å; Y176-S185 CarbonylContact O-C 3.57Å; Y176-S185 VanDerWaalsContact O-CA 3.3Å; Y176-S185 WeakPolarHBondContact O-CA 3.22Å; Y176-K186 HydrophobicContact CD1-CB 4.23Å; Y176-K186 PolarHBondContact N-O 3.35Å; Y176-K186 PolarHBondContact O-N 3.24Å; Y176-W204 AromaticContact CD2-CH2 3.86Å; Y176-W204 HydrophobicContact CD2-CH2 3.86Å; Y176-W204 AromaticContact CD2-CZ2 3.94Å; Y176-W204 HydrophobicContact CD2-CZ2 3.94Å; Y176-W204 AromaticContact CE2-CH2 3.71Å; Y176-W204 HydrophobicContact CE2-CH2 3.71Å; Y176-W204 AromaticContact CE2-CZ2 3.94Å; Y176-W204 HydrophobicContact CE2-CZ2 3.94Å; Y176-V226 HydrophobicContact CD1-CG1 4.04Å; Y176-V226 HydrophobicContact CD2-CG1 4.15Å; Y176-V226 HydrophobicContact CD2-CG2 4.18Å; Y176-V226 HydrophobicContact CE1-CG1 3.88Å; Y176-V226 HydrophobicContact CE2-CG1 4.02Å; Y176-V226 HydrophobicContact CE2-CG2 4.33Å; Y176-V226 HydrophobicContact CG-CG1 4.16Å
177	L	97.2	Very high	95.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	160.6	178.4	66.6	95.4	0	0	0	111.4	L165 V167 Q175 P179 T184	L165-L177 HydrophobicContact CB-CD1 4.29Å; L165-L177 HydrophobicContact CB-CG 4.41Å; L165-L177 HydrophobicContact CD2-CD1 4.13Å; L165-L177 PolarHBondContact N-O 2.9Å; L165-L177 PolarHBondContact O-N 2.96Å; V167-L177 HydrophobicContact CG2-CD2 4.13Å; Q175-L177 HydrophobicContact CG-CB 4.5Å; Q175-L177 HydrophobicContact CG-CD2 4.02Å; L177-P179 HydrophobicContact CD1-CB 4.3Å; L177-P179 HydrophobicContact CD1-CG 3.6Å; L177-T184 VanDerWaalsContact CA-O 3.23Å; L177-T184 WeakPolarHBondContact CA-O 3.41Å; L177-T184 WeakPolarHBondContact CB-O 3.36Å
178	D	96.6	Very high	95.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.208	C	C	.	.			trans	-113.1	109.7	168.8	-171.8	-41.9	0	0	0	109.2	S162 V163 I180 K181 K182 T184	S162-D178 VanDerWaalsContact CA-OD2 3.26Å; S162-D178 WeakPolarHBondContact CA-OD2 3.38Å; S162-D178 WeakPolarHBondContact CB-OD2 3.22Å; S162-D178 PolarHBondContact OG-OD2 2.77Å; V163-D178 PolarHBondContact N-OD1 2.48Å; V163-D178 PolarHBondContact N-OD2 2.8Å; V163-D178 VanDerWaalsContact N-OD2 3.09Å; V163-D178 WeakPolarHBondContact O-CA 3.11Å; D178-I180 VanDerWaalsContact C-N 3.28Å; D178-I180 PolarHBondContact O-N 2.79Å; D178-I180 WeakPolarHBondContact OD1-CA 3.45Å; D178-I180 WeakPolarHBondContact OD1-CB 3.32Å; D178-I180 PolarHBondContact OD1-N 3.04Å; D178-K181 HydrophobicContact CB-CB 4.12Å; D178-K181 PolarHBondContact OD1-N 2.8Å; D178-K182 VanDerWaalsContact O-CA 3.32Å; D178-K182 WeakPolarHBondContact O-CA 3.41Å; D178-K182 PolarHBondContact O-N 2.99Å; D178-T184 PolarHBondContact N-O 2.65Å
179	P	94.6	Very high	95.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.5	-178.5	-17.2	30.1	0	0	0	114.1	F122 D139 V163 L165 L177 K182	F122-P179 HydrophobicContact CB-CB 4.24Å; F122-P179 HydrophobicContact CD1-CB 3.31Å; F122-P179 HydrophobicContact CD1-CG 4.18Å; F122-P179 HydrophobicContact CD2-CB 4.26Å; F122-P179 HydrophobicContact CD2-CG 4.29Å; F122-P179 HydrophobicContact CE1-CB 3.59Å; F122-P179 HydrophobicContact CE1-CG 4.29Å; F122-P179 HydrophobicContact CE2-CB 4.44Å; F122-P179 HydrophobicContact CE2-CG 4.35Å; F122-P179 HydrophobicContact CG-CB 3.69Å; F122-P179 HydrophobicContact CG-CG 4.19Å; F122-P179 HydrophobicContact CZ-CB 4.13Å; F122-P179 HydrophobicContact CZ-CG 4.35Å; D139-P179 HydrophobicContact CB-CB 4.11Å; V163-P179 WeakPolarHBondContact O-CD 3.22Å; L165-P179 HydrophobicContact CB-CG 4.17Å; L165-P179 HydrophobicContact CD2-CG 3.95Å; L177-P179 HydrophobicContact CD1-CB 4.3Å; L177-P179 HydrophobicContact CD1-CG 3.6Å; P179-K182 WeakPolarHBondContact O-CG 3.35Å
180	I	92.3	Very high	95.2	Very high	47 Å²	47	46.6 Å²	46.6	24%	0.241	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-50.7	-179.9	-58.6	-176.3	0	0	0	109.1	F122 E161 V163 D178	F122-I180 HydrophobicContact CE1-CG1 3.98Å; F122-I180 HydrophobicContact CZ-CG1 4.31Å; E161-I180 WeakPolarHBondContact O-CG2 3.42Å; V163-I180 HydrophobicContact CB-CD1 4.05Å; V163-I180 HydrophobicContact CB-CG1 4.39Å; V163-I180 HydrophobicContact CG2-CD1 3.48Å; V163-I180 VanDerWaalsContact CG2-CD1 3.48Å; V163-I180 HydrophobicContact CG2-CG1 4.31Å; D178-I180 VanDerWaalsContact C-N 3.28Å; D178-I180 PolarHBondContact O-N 2.79Å; D178-I180 WeakPolarHBondContact OD1-CA 3.45Å; D178-I180 WeakPolarHBondContact OD1-CB 3.32Å; D178-I180 PolarHBondContact OD1-N 3.04Å
181	K	91.8	Very high	95.2	Very high	107 Å²	107	50.7 Å²	50.7	47%	0.465	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-27.4	179.9	-66.7	179.4	175.7	162.6	0	113.4	E161 S162 D178 E183	E161-K181 WeakPolarHBondContact O-CE 3.49Å; E161-K181 WeakPolarHBondContact O-CG 3.43Å; S162-K181 VanDerWaalsContact CB-NZ 3.33Å; S162-K181 VanDerWaalsContact OG-CE 3.3Å; S162-K181 WeakPolarHBondContact OG-CE 3.41Å; S162-K181 PolarHBondContact OG-NZ 2.98Å; D178-K181 HydrophobicContact CB-CB 4.12Å; D178-K181 PolarHBondContact OD1-N 2.8Å; K181-E183 PolarHBondContact O-N 2.75Å
182	K	88.4	Confident	95.2	Very high	110 Å²	110	54.6 Å²	54.6	48%	0.478	26%	0.259	S	S	.	.			trans	61.1	-21.7	-180	-58.5	-175.9	179.2	-174.4	0	117.1	I138 D178 P179	I138-K182 WeakPolarHBondContact O-CE 3.47Å; I138-K182 PolarHBondContact O-NZ 3.38Å; D178-K182 VanDerWaalsContact O-CA 3.32Å; D178-K182 WeakPolarHBondContact O-CA 3.41Å; D178-K182 PolarHBondContact O-N 2.99Å; P179-K182 WeakPolarHBondContact O-CG 3.35Å
183	E	84.3	Confident	95.2	Very high	185 Å²	185	57.7 Å²	57.7	86%	0.864	28%	0.275	S	S	*	.			trans	-79.9	-21.4	-179	-65	179.1	177.6	0	0	113.3	K181	K181-E183 PolarHBondContact O-N 2.75Å
184	T	88.3	Confident	95.2	Very high	51 Å²	51	57.5 Å²	57.5	31%	0.313	28%	0.275	S	S	.	.			trans	-87.7	118.1	-177.9	-59.5	0	0	0	0	110.5	Y176 L177 D178	Y176-T184 HydrophobicContact CD1-CG2 3.94Å; Y176-T184 HydrophobicContact CE1-CG2 3.37Å; L177-T184 VanDerWaalsContact CA-O 3.23Å; L177-T184 WeakPolarHBondContact CA-O 3.41Å; L177-T184 WeakPolarHBondContact CB-O 3.36Å; D178-T184 PolarHBondContact N-O 2.65Å
185	S	93.5	Very high	95.2	Very high	72 Å²	72	58.3 Å²	58.3	50%	0.503	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	118	172.4	177.6	0	0	0	0	110.8	Q175 Y176	Q175-S185 PolarHBondContact NE2-OG 3Å; Y176-S185 CarbonylContact O-C 3.57Å; Y176-S185 VanDerWaalsContact O-CA 3.3Å; Y176-S185 WeakPolarHBondContact O-CA 3.22Å
186	K	96.5	Very high	95.2	Very high	65 Å²	65	64.3 Å²	64.3	28%	0.283	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.6	176.8	-174	170.9	176.4	178.5	0	110	Q175 Y176 F188 V226 H228	Q175-K186 CarbonylContact C-O 3.57Å; Q175-K186 WeakPolarHBondContact CA-O 3.33Å; Y176-K186 HydrophobicContact CD1-CB 4.23Å; Y176-K186 PolarHBondContact N-O 3.35Å; Y176-K186 PolarHBondContact O-N 3.24Å; K186-F188 HydrophobicContact CB-CE2 4.37Å; K186-F188 HydrophobicContact CD-CE1 4.13Å; K186-F188 HydrophobicContact CD-CE2 4.31Å; K186-F188 HydrophobicContact CD-CZ 3.66Å; K186-F188 HydrophobicContact CG-CE1 4.46Å; K186-F188 HydrophobicContact CG-CE2 4.1Å; K186-F188 HydrophobicContact CG-CZ 3.93Å; K186-V226 PolarHBondContact NZ-O 3.34Å; K186-H228 PolarHBondContact NZ-O 2.87Å
187	L	97.3	Very high	95.2	Very high	63 Å²	63	63 Å²	63	33%	0.33	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.8	178.7	-157.4	65.5	0	0	0	110	Q173 Q175 E190	Q173-L187 HydrophobicContact CB-CD1 4.26Å; Q175-L187 HydrophobicContact CB-CD1 3.85Å; Q175-L187 HydrophobicContact CG-CD1 4.38Å; L187-E190 HydrophobicContact CB-CB 4.43Å; L187-E190 HydrophobicContact CD2-CB 3.7Å; L187-E190 HydrophobicContact CD2-CG 3.59Å; L187-E190 HydrophobicContact CG-CB 4.07Å; L187-E190 HydrophobicContact CG-CG 4.48Å
188	F	98.6	Very high	95.2	Very high	1 Å²	1	67.1 Å²	67.1	0%	0.004	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.2	174.4	-57.4	-89.8	0	0	0	109.1	Q173 V174 K186 E190 F212 Y224 N258	Q173-F188 WeakPolarHBondContact CA-O 3.32Å; V174-F188 HydrophobicContact CB-CB 4.32Å; V174-F188 PolarHBondContact N-O 3.45Å; V174-F188 VanDerWaalsContact N-O 3.08Å; V174-F188 PolarHBondContact O-N 2.9Å; K186-F188 HydrophobicContact CB-CE2 4.37Å; K186-F188 HydrophobicContact CD-CE1 4.13Å; K186-F188 HydrophobicContact CD-CE2 4.31Å; K186-F188 HydrophobicContact CD-CZ 3.66Å; K186-F188 HydrophobicContact CG-CE1 4.46Å; K186-F188 HydrophobicContact CG-CE2 4.1Å; K186-F188 HydrophobicContact CG-CZ 3.93Å; F188-E190 PolarHBondContact O-N 2.9Å; F188-F212 HydrophobicContact CD2-CE1 4.42Å; F188-F212 AromaticContact CD2-CZ 3.96Å; F188-F212 HydrophobicContact CD2-CZ 3.96Å; F188-F212 HydrophobicContact CE2-CE1 4.13Å; F188-F212 HydrophobicContact CE2-CZ 4.15Å; F188-F212 HydrophobicContact CG-CZ 4.22Å; F188-F212 HydrophobicContact CZ-CE1 4.29Å; F188-Y224 HydrophobicContact CB-CD1 4.16Å; F188-Y224 HydrophobicContact CB-CE1 3.99Å; F188-Y224 AromaticContact CD1-CD1 3.92Å; F188-Y224 HydrophobicContact CD1-CD1 3.92Å; F188-Y224 HydrophobicContact CD1-CE1 4.46Å; F188-Y224 HydrophobicContact CG-CD1 4.24Å; F188-N258 WeakPolarHBondContact CE1-ND2 3.2Å
189	N	98.1	Very high	95.3	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.021	32%	0.32	C	S	.	.	S	Bend	trans	54.8	33.3	-176.8	-167.7	34.6	0	0	0	113.5	G172 E191 R192 L193 I194 D195 C230	G172-N189 PolarHBondContact O-ND2 3.41Å; N189-E191 VanDerWaalsContact C-N 3.32Å; N189-E191 PolarHBondContact O-N 3.38Å; N189-R192 PolarHBondContact O-N 2.94Å; N189-R192 VanDerWaalsContact OD1-CA 3.26Å; N189-R192 WeakPolarHBondContact OD1-CA 3.26Å; N189-L193 PolarHBondContact OD1-N 3.43Å; N189-L193 VanDerWaalsContact OD1-N 3.17Å; N189-I194 HydrophobicContact CB-CB 4.36Å; N189-I194 HydrophobicContact CB-CD1 4.02Å; N189-I194 HydrophobicContact CB-CG1 4.42Å; N189-I194 VanDerWaalsContact OD1-CB 3.32Å; N189-I194 WeakPolarHBondContact OD1-CB 3.47Å; N189-I194 PolarHBondContact OD1-N 3.12Å; N189-D195 PolarHBondContact ND2-O 2.74Å; N189-C230 PolarHBondContact N-SG 2.85Å; N189-C230 VanDerWaalsContact N-SG 3.35Å
190	E	96.9	Very high	95.4	Very high	117 Å²	117	67.9 Å²	67.9	55%	0.547	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-48.1	-179.3	177.2	164.5	-153.9	0	0	112.3	L187 F188 R192	L187-E190 HydrophobicContact CB-CB 4.43Å; L187-E190 HydrophobicContact CD2-CB 3.7Å; L187-E190 HydrophobicContact CD2-CG 3.59Å; L187-E190 HydrophobicContact CG-CB 4.07Å; L187-E190 HydrophobicContact CG-CG 4.48Å; F188-E190 PolarHBondContact O-N 2.9Å; E190-R192 PolarHBondContact O-N 3.28Å
191	E	96.4	Very high	95.7	Very high	132 Å²	132	66 Å²	66	62%	0.617	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-1.7	179.2	-58.7	-57.1	151.2	0	0	113.9	N189 L193	N189-E191 VanDerWaalsContact C-N 3.32Å; N189-E191 PolarHBondContact O-N 3.38Å; E191-L193 HydrophobicContact CB-CD1 3.79Å; E191-L193 HydrophobicContact CB-CG 3.68Å; E191-L193 PolarHBondContact O-N 2.88Å
192	R	97.4	Very high	96.1	Very high	100 Å²	100	61 Å²	61	38%	0.377	30%	0.295	S	S	.	.	S	Bend	trans	56.6	33.6	178.9	-52	171.5	64.7	-156.8	-2	113.3	A171 N189 E190 K196	A171-R192 PolarHBondContact O-NE 3.17Å; N189-R192 PolarHBondContact O-N 2.94Å; N189-R192 VanDerWaalsContact OD1-CA 3.26Å; N189-R192 WeakPolarHBondContact OD1-CA 3.26Å; E190-R192 PolarHBondContact O-N 3.28Å; R192-K196 HydrophobicContact CB-CG 4.27Å; R192-K196 PolarHBondContact NH2-O 3.33Å; R192-K196 VanDerWaalsContact O-CG 3.31Å; R192-K196 WeakPolarHBondContact O-CG 3.49Å
193	L	97.9	Very high	96.5	Very high	65 Å²	65	59.5 Å²	59.5	34%	0.34	29%	0.288	S	S	.	.			trans	-88.6	-19.8	-179.4	-61.2	176.5	0	0	0	112.9	N189 E191 T232	N189-L193 PolarHBondContact OD1-N 3.43Å; N189-L193 VanDerWaalsContact OD1-N 3.17Å; E191-L193 HydrophobicContact CB-CD1 3.79Å; E191-L193 HydrophobicContact CB-CG 3.68Å; E191-L193 PolarHBondContact O-N 2.88Å; L193-T232 VanDerWaalsContact CD1-O 3.31Å; L193-T232 WeakPolarHBondContact CD1-O 3.03Å
194	I	98.3	Very high	97.2	Very high	21 Å²	21	51.3 Å²	51.3	11%	0.108	25%	0.249	C	C	.	.	S	Bend	trans	-83.9	-55.4	178.3	-56.3	172.7	0	0	0	109.2	N189 Y222 Y224 P235 P259	N189-I194 HydrophobicContact CB-CB 4.36Å; N189-I194 HydrophobicContact CB-CD1 4.02Å; N189-I194 HydrophobicContact CB-CG1 4.42Å; N189-I194 VanDerWaalsContact OD1-CB 3.32Å; N189-I194 WeakPolarHBondContact OD1-CB 3.47Å; N189-I194 PolarHBondContact OD1-N 3.12Å; I194-Y222 HydrophobicContact CG2-CD1 3.63Å; I194-Y222 HydrophobicContact CG2-CE1 3.55Å; I194-Y222 HydrophobicContact CG2-CE2 4.48Å; I194-Y222 HydrophobicContact CG2-CG 4.14Å; I194-Y222 PolarHBondContact O-OH 3.07Å; I194-Y224 HydrophobicContact CD1-CE1 3.8Å; I194-Y224 WeakPolarHBondContact CD1-OH 3.34Å; I194-P235 HydrophobicContact CG1-CG 3.98Å; I194-P259 HydrophobicContact CD1-CG 4.39Å; I194-P259 HydrophobicContact CG2-CB 4.39Å; I194-P259 HydrophobicContact CG2-CG 3.81Å
195	D	98.3	Very high	97.7	Very high	16 Å²	16	49.7 Å²	49.7	9%	0.086	24%	0.239	C	C	.	.			trans	-149.4	144.9	174.4	-155.2	-60	0	0	0	110.1	N189 S197 H216 S218 H220 Y222	N189-D195 PolarHBondContact ND2-O 2.74Å; D195-S197 WeakPolarHBondContact OD1-CB 3.38Å; D195-S197 PolarHBondContact OD1-N 3.36Å; D195-S197 PolarHBondContact OD1-OG 3.16Å; D195-H216 IonicContact OD1-ND1 2.79Å; D195-S218 WeakPolarHBondContact OD2-CB 3.5Å; D195-S218 PolarHBondContact OD2-OG 3.03Å; D195-H220 IonicContact OD2-CD2 2.74Å; D195-Y222 HydrophobicContact CB-CE2 3.74Å; D195-Y222 WeakPolarHBondContact OD2-CE2 3.42Å; D195-Y222 PolarHBondContact OD2-OH 2.74Å
196	K	97.9	Very high	97.7	Very high	146 Å²	146	49 Å²	49	64%	0.635	23%	0.233	S	C	*	.			trans	-101.9	-12.9	-178.5	-66.3	-179.8	-179.5	179.8	0	113.1	R192	R192-K196 HydrophobicContact CB-CG 4.27Å; R192-K196 PolarHBondContact NH2-O 3.33Å; R192-K196 VanDerWaalsContact O-CG 3.31Å; R192-K196 WeakPolarHBondContact O-CG 3.49Å
197	S	97.8	Very high	97.6	Very high	17 Å²	17	54 Å²	54	12%	0.119	25%	0.254	C	S	.	.	S	Bend	trans	-85.8	156	-176.3	71	0	0	0	0	111.4	G172 D195 H216 S218	G172-S197 WeakPolarHBondContact CA-O 3.38Å; D195-S197 WeakPolarHBondContact OD1-CB 3.38Å; D195-S197 PolarHBondContact OD1-N 3.36Å; D195-S197 PolarHBondContact OD1-OG 3.16Å; S197-H216 PolarHBondContact O-ND1 2.6Å; S197-H216 WeakPolarHBondContact OG-CB 3.41Å; S197-S218 WeakPolarHBondContact OG-CB 3.37Å; S197-S218 PolarHBondContact OG-N 3.02Å; S197-S218 PolarHBondContact OG-OG 3.37Å
198	K	97.3	Very high	97.5	Very high	88 Å²	88	52 Å²	52	38%	0.383	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-55.8	141.3	-178.1	67.4	177.6	-176	-178.2	0	111.5	S170 T200 H216 A217	S170-K198 WeakPolarHBondContact O-CA 3.08Å; S170-K198 WeakPolarHBondContact O-CB 3.2Å; K198-T200 HydrophobicContact CG-CG2 4.15Å; K198-H216 WeakPolarHBondContact O-CA 3.48Å; K198-A217 HydrophobicContact CD-CB 4.41Å; K198-A217 HydrophobicContact CG-CB 3.61Å; K198-A217 PolarHBondContact O-N 2.95Å
199	V	98.7	Very high	97.4	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	128.3	166.6	-172.2	0	0	0	0	108.1	T149 F169 Q173 V174 L202 S215	T149-V199 WeakPolarHBondContact CB-O 3.31Å; T149-V199 PolarHBondContact OG1-O 3.27Å; F169-V199 PolarHBondContact O-N 2.95Å; F169-V199 VanDerWaalsContact O-N 3.11Å; Q173-V199 WeakPolarHBondContact O-CG2 3.5Å; V174-V199 HydrophobicContact CG2-CG2 4.09Å; V199-L202 HydrophobicContact CG1-CD1 4.22Å; V199-L202 HydrophobicContact CG1-CD2 4.04Å; V199-L202 HydrophobicContact CG1-CG 3.74Å; V199-S215 CarbonylContact C-O 3.5Å; V199-S215 WeakPolarHBondContact CA-O 3.46Å; V199-S215 WeakPolarHBondContact CG1-O 3.46Å
200	T	98.5	Very high	97.4	Very high	17 Å²	17	59.6 Å²	59.6	10%	0.104	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-36.9	-176.3	52.1	0	0	0	0	113	K198 S215 A217 L270	K198-T200 HydrophobicContact CG-CG2 4.15Å; T200-S215 PolarHBondContact N-O 2.83Å; T200-S215 PolarHBondContact OG1-O 2.86Å; T200-S215 PolarHBondContact OG1-OG 3.45Å; T200-A217 HydrophobicContact CG2-CB 4Å; T200-L270 VanDerWaalsContact CB-O 3.25Å; T200-L270 WeakPolarHBondContact CB-O 3.37Å; T200-L270 VanDerWaalsContact CG2-O 3.29Å; T200-L270 WeakPolarHBondContact CG2-O 3.2Å; T200-L270 PolarHBondContact OG1-O 3.02Å
201	C	98.7	Very high	97.5	Very high	9 Å²	9	56 Å²	56	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	148.1	174.8	-173.8	0	0	0	0	110	S215 F273	C201-S215 VanDerWaalsContact CB-OG 3.3Å; C201-S215 WeakPolarHBondContact CB-OG 3.46Å; C201-S215 PolarHBondContact N-OG 2.82Å; C201-S215 PolarHBondContact O-N 2.9Å; C201-S215 PolarHBondContact O-OG 3.44Å; C201-F273 HydrophobicContact CB-CD1 3.77Å; C201-F273 HydrophobicContact CB-CE1 3.73Å
202	L	98.3	Very high	97.6	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.8	173.7	-78.1	171.1	0	0	0	108.8	D152 I166 V174 V199 F212 L213 A214	D152-L202 WeakPolarHBondContact CB-O 3.27Å; I166-L202 HydrophobicContact CB-CD1 4.49Å; I166-L202 HydrophobicContact CD1-CB 3.99Å; I166-L202 HydrophobicContact CD1-CD2 4.34Å; I166-L202 HydrophobicContact CG1-CB 4.34Å; I166-L202 HydrophobicContact CG1-CD1 4.38Å; V174-L202 HydrophobicContact CG1-CD1 3.99Å; V174-L202 HydrophobicContact CG1-CD2 4.17Å; V174-L202 HydrophobicContact CG2-CD1 4.36Å; V174-L202 HydrophobicContact CG2-CD2 3.94Å; V199-L202 HydrophobicContact CG1-CD1 4.22Å; V199-L202 HydrophobicContact CG1-CD2 4.04Å; V199-L202 HydrophobicContact CG1-CG 3.74Å; L202-F212 HydrophobicContact CD2-CD2 4.13Å; L202-F212 HydrophobicContact CD2-CE2 4.3Å; L202-L213 WeakPolarHBondContact CA-O 3.45Å; L202-A214 HydrophobicContact CD2-CB 3.39Å
203	K	98.6	Very high	97.6	Very high	77 Å²	77	45.1 Å²	45.1	34%	0.335	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	136.9	170.3	-69.2	-65.8	172.1	-175.6	0	111	D152 F212 L213 F273 F275	D152-K203 IonicContact OD1-NZ 2.82Å; D152-K203 PolarHBondContact OD1-NZ 3.41Å; D152-K203 WeakPolarHBondContact OD2-CA 3.45Å; D152-K203 WeakPolarHBondContact OD2-CD 2.94Å; K203-F212 WeakPolarHBondContact O-CA 3.16Å; K203-F212 WeakPolarHBondContact O-CB 3.4Å; K203-L213 PolarHBondContact N-O 2.93Å; K203-L213 VanDerWaalsContact N-O 3.11Å; K203-L213 PolarHBondContact O-N 2.86Å; K203-F273 HydrophobicContact CB-CE2 3.73Å; K203-F273 HydrophobicContact CB-CZ 3.84Å; K203-F273 HydrophobicContact CG-CE2 3.9Å; K203-F273 HydrophobicContact CG-CZ 4.05Å; K203-F275 HydrophobicContact CB-CD2 4.16Å; K203-F275 HydrophobicContact CB-CE2 4.03Å
204	W	98.7	Very high	97.7	Very high	13 Å²	13	42 Å²	42	5%	0.049	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	146.1	161.4	-70.4	94.4	0	0	0	109.9	D152 N154 A164 I166 Y176 E209 F212 V226	D152-W204 PolarHBondContact O-NE1 3.32Å; D152-W204 PolarHBondContact OD2-N 3.43Å; N154-W204 HydrophobicContact CB-CD2 3.75Å; N154-W204 HydrophobicContact CB-CE3 4.34Å; N154-W204 HydrophobicContact CB-CG 3.92Å; N154-W204 HydrophobicContact CB-CZ2 4.05Å; N154-W204 VanDerWaalsContact N-CD1 3.29Å; N154-W204 VanDerWaalsContact N-NE1 3.19Å; A164-W204 HydrophobicContact CB-CH2 4.27Å; A164-W204 HydrophobicContact CB-CZ2 3.86Å; I166-W204 HydrophobicContact CD1-CD2 4.38Å; I166-W204 HydrophobicContact CD1-CG 4.34Å; I166-W204 HydrophobicContact CG2-CH2 4.2Å; I166-W204 HydrophobicContact CG2-CZ2 3.53Å; Y176-W204 AromaticContact CD2-CH2 3.86Å; Y176-W204 HydrophobicContact CD2-CH2 3.86Å; Y176-W204 AromaticContact CD2-CZ2 3.94Å; Y176-W204 HydrophobicContact CD2-CZ2 3.94Å; Y176-W204 AromaticContact CE2-CH2 3.71Å; Y176-W204 HydrophobicContact CE2-CH2 3.71Å; Y176-W204 AromaticContact CE2-CZ2 3.94Å; Y176-W204 HydrophobicContact CE2-CZ2 3.94Å; W204-E209 WeakPolarHBondContact CZ3-O 3.49Å; W204-F212 HydrophobicContact CD2-CB 4.29Å; W204-F212 HydrophobicContact CE3-CB 4.1Å; W204-F212 HydrophobicContact CZ3-CD1 4.45Å; W204-V226 HydrophobicContact CH2-CG2 3.53Å; W204-V226 HydrophobicContact CZ3-CG2 3.66Å
205	L	97.9	Very high	97.7	Very high	18 Å²	18	41 Å²	41	9%	0.094	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-68.1	135.7	170.3	-91.2	65.9	0	0	0	108.7	K207 S208 L211 L213 L223 F275 F296	L205-K207 PolarHBondContact O-N 2.77Å; L205-S208 WeakPolarHBondContact O-CB 3.37Å; L205-S208 PolarHBondContact O-N 3.38Å; L205-S208 VanDerWaalsContact O-N 3.09Å; L205-L211 HydrophobicContact CB-CB 4.11Å; L205-L211 HydrophobicContact CD1-CB 4.14Å; L205-L211 HydrophobicContact CD2-CB 3.73Å; L205-L211 HydrophobicContact CD2-CD1 3.91Å; L205-L211 HydrophobicContact CD2-CG 4.48Å; L205-L211 HydrophobicContact CG-CB 4.21Å; L205-L211 PolarHBondContact N-O 3.32Å; L205-L213 HydrophobicContact CD1-CB 4.1Å; L205-L223 HydrophobicContact CD1-CD1 3.61Å; L205-L223 HydrophobicContact CD2-CD1 3.95Å; L205-L223 HydrophobicContact CG-CD1 4.45Å; L205-F275 HydrophobicContact CD1-CE2 4.45Å; L205-F275 HydrophobicContact CD1-CZ 3.97Å; L205-F275 HydrophobicContact CG-CZ 3.96Å; L205-F296 HydrophobicContact CD1-CZ 4.33Å; L205-F296 HydrophobicContact CD2-CE1 3.51Å; L205-F296 HydrophobicContact CD2-CZ 3.65Å; L205-F296 HydrophobicContact CG-CE1 4.22Å; L205-F296 HydrophobicContact CG-CZ 4.09Å
206	P	94.8	Very high	97.7	Very high	58 Å²	58	40.3 Å²	40.3	38%	0.377	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	133.5	176.5	-28.3	37.1	0	0	0	111.5	S208 F275	P206-S208 PolarHBondContact O-N 2.91Å; P206-F275 HydrophobicContact CG-CB 3.9Å; P206-F275 HydrophobicContact CG-CD1 4.31Å; P206-F275 HydrophobicContact CG-CD2 4.2Å; P206-F275 HydrophobicContact CG-CG 3.89Å
207	K	93	Very high	97.7	Very high	168 Å²	168	34.3 Å²	34.3	73%	0.73	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	23.8	-179.5	-50.7	176.5	-178.1	172.1	0	114.6	Y156 L205	Y156-K207 HydrophobicContact CD2-CB 4.31Å; Y156-K207 HydrophobicContact CE2-CB 4.3Å; L205-K207 PolarHBondContact O-N 2.77Å
208	S	96.3	Very high	97.7	Very high	23 Å²	23	35.3 Å²	35.3	16%	0.161	18%	0.18	C	C	.	.			trans	-113	138.3	174.9	-167.9	0	0	0	0	111.7	N154 L205 P206 N210 L211	N154-S208 PolarHBondContact ND2-O 3.27Å; L205-S208 WeakPolarHBondContact O-CB 3.37Å; L205-S208 PolarHBondContact O-N 3.38Å; L205-S208 VanDerWaalsContact O-N 3.09Å; P206-S208 PolarHBondContact O-N 2.91Å; S208-N210 PolarHBondContact OG-N 2.94Å; S208-L211 WeakPolarHBondContact OG-CB 3.38Å; S208-L211 PolarHBondContact OG-N 2.93Å; S208-L211 VanDerWaalsContact OG-N 3.14Å
209	E	96	Very high	97.7	Very high	108 Å²	108	31.3 Å²	31.3	51%	0.505	16%	0.164	S	C	.	.	S	Bend	trans	-84.5	-30.6	174.1	-63.3	-179.4	176.1	0	0	112	N154 Y156 W204	N154-E209 WeakPolarHBondContact ND2-CA 3.37Å; N154-E209 PolarHBondContact ND2-O 2.8Å; Y156-E209 HydrophobicContact CD1-CG 3.74Å; Y156-E209 HydrophobicContact CE1-CG 3.72Å; W204-E209 WeakPolarHBondContact CZ3-O 3.49Å
210	N	97.4	Very high	97.7	Very high	55 Å²	55	32.8 Å²	32.8	29%	0.294	17%	0.17	S	C	.	.	S	Bend	trans	-123.4	-11.2	-163.4	-56.4	-16.2	0	0	0	113.7	S208 N225 V226 D227	S208-N210 PolarHBondContact OG-N 2.94Å; N210-N225 CarbonylContact O-C 3.59Å; N210-N225 VanDerWaalsContact O-CA 3.28Å; N210-N225 WeakPolarHBondContact O-CA 3.31Å; N210-V226 HydrophobicContact CB-CB 4.46Å; N210-V226 WeakPolarHBondContact O-CG2 3.46Å; N210-V226 PolarHBondContact O-N 2.8Å; N210-D227 PolarHBondContact ND2-OD2 2.98Å
211	L	98.4	Very high	97.7	Very high	43 Å²	43	32 Å²	32	23%	0.225	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.6	-177.4	-60.6	176	0	0	0	111.8	L205 S208 L223 Y224 N225 L260	L205-L211 HydrophobicContact CB-CB 4.11Å; L205-L211 HydrophobicContact CD1-CB 4.14Å; L205-L211 HydrophobicContact CD2-CB 3.73Å; L205-L211 HydrophobicContact CD2-CD1 3.91Å; L205-L211 HydrophobicContact CD2-CG 4.48Å; L205-L211 HydrophobicContact CG-CB 4.21Å; L205-L211 PolarHBondContact N-O 3.32Å; S208-L211 WeakPolarHBondContact OG-CB 3.38Å; S208-L211 PolarHBondContact OG-N 2.93Å; S208-L211 VanDerWaalsContact OG-N 3.14Å; L211-L223 HydrophobicContact CB-CD1 4.37Å; L211-Y224 WeakPolarHBondContact CA-O 3.37Å; L211-N225 HydrophobicContact CD2-CB 3.71Å; L211-L260 HydrophobicContact CD2-CD1 3.83Å
212	F	98.8	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.3	171.7	68.2	-91.3	0	0	0	111.8	I166 V174 F188 L202 K203 W204 Y224 V226	I166-F212 HydrophobicContact CD1-CB 3.65Å; I166-F212 HydrophobicContact CD1-CD2 3.94Å; I166-F212 HydrophobicContact CD1-CG 3.85Å; I166-F212 HydrophobicContact CG2-CD1 4.29Å; I166-F212 HydrophobicContact CG2-CE1 4.44Å; I166-F212 HydrophobicContact CG2-CG 4.45Å; V174-F212 HydrophobicContact CB-CE2 4.4Å; V174-F212 HydrophobicContact CG1-CE2 3.82Å; V174-F212 HydrophobicContact CG1-CZ 4.04Å; V174-F212 HydrophobicContact CG2-CE2 4.49Å; F188-F212 HydrophobicContact CD2-CE1 4.42Å; F188-F212 AromaticContact CD2-CZ 3.96Å; F188-F212 HydrophobicContact CD2-CZ 3.96Å; F188-F212 HydrophobicContact CE2-CE1 4.13Å; F188-F212 HydrophobicContact CE2-CZ 4.15Å; F188-F212 HydrophobicContact CG-CZ 4.22Å; F188-F212 HydrophobicContact CZ-CE1 4.29Å; L202-F212 HydrophobicContact CD2-CD2 4.13Å; L202-F212 HydrophobicContact CD2-CE2 4.3Å; K203-F212 WeakPolarHBondContact O-CA 3.16Å; K203-F212 WeakPolarHBondContact O-CB 3.4Å; W204-F212 HydrophobicContact CD2-CB 4.29Å; W204-F212 HydrophobicContact CE3-CB 4.1Å; W204-F212 HydrophobicContact CZ3-CD1 4.45Å; F212-Y224 HydrophobicContact CD2-CD2 4.33Å; F212-Y224 VanDerWaalsContact CE1-CB 3.46Å; F212-Y224 HydrophobicContact CE1-CG 4.32Å; F212-Y224 AromaticContact CE2-CD2 3.64Å; F212-Y224 HydrophobicContact CE2-CD2 3.64Å; F212-Y224 HydrophobicContact CE2-CE2 4.5Å; F212-Y224 AromaticContact CE2-CG 3.71Å; F212-Y224 HydrophobicContact CE2-CG 3.71Å; F212-Y224 HydrophobicContact CZ-CD1 4.22Å; F212-Y224 HydrophobicContact CZ-CD2 4.04Å; F212-Y224 AromaticContact CZ-CG 3.6Å; F212-Y224 HydrophobicContact CZ-CG 3.6Å; F212-Y224 PolarHBondContact N-O 2.95Å; F212-Y224 VanDerWaalsContact N-O 3.12Å; F212-Y224 PolarHBondContact O-N 2.84Å; F212-V226 HydrophobicContact CD1-CG2 4.03Å; F212-V226 HydrophobicContact CE1-CG2 4.06Å
213	L	98.8	Very high	97.7	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.2	178.6	-163.7	69	0	0	0	109.7	L202 K203 L205 L221 L223 F273 F275 V282 F296	L202-L213 WeakPolarHBondContact CA-O 3.45Å; K203-L213 PolarHBondContact N-O 2.93Å; K203-L213 VanDerWaalsContact N-O 3.11Å; K203-L213 PolarHBondContact O-N 2.86Å; L205-L213 HydrophobicContact CD1-CB 4.1Å; L213-L221 HydrophobicContact CD1-CB 4.11Å; L213-L221 HydrophobicContact CD2-CB 4.5Å; L213-L221 HydrophobicContact CD2-CD2 3.93Å; L213-L221 HydrophobicContact CG-CB 4.27Å; L213-L221 HydrophobicContact CG-CD2 4.09Å; L213-L223 HydrophobicContact CD1-CB 4.16Å; L213-L223 HydrophobicContact CD1-CD1 4.41Å; L213-F273 HydrophobicContact CB-CE2 4.03Å; L213-F273 HydrophobicContact CB-CZ 3.84Å; L213-F273 HydrophobicContact CD2-CD2 4.04Å; L213-F273 HydrophobicContact CD2-CE2 3.7Å; L213-F273 HydrophobicContact CD2-CZ 4.05Å; L213-F273 HydrophobicContact CG-CE2 4.2Å; L213-F273 HydrophobicContact CG-CZ 4.07Å; L213-F273 WeakPolarHBondContact O-CZ 3.48Å; L213-F275 HydrophobicContact CB-CZ 4.34Å; L213-F275 HydrophobicContact CD2-CZ 4.11Å; L213-V282 HydrophobicContact CD2-CG2 4.44Å; L213-F296 HydrophobicContact CD1-CE2 4.5Å; L213-F296 HydrophobicContact CD2-CE2 4.22Å
214	A	98.8	Very high	97.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.5	178.4	0	0	0	0	0	110.8	V174 L202 L221 Y222 Y224	V174-A214 HydrophobicContact CG2-CB 4.47Å; L202-A214 HydrophobicContact CD2-CB 3.39Å; A214-L221 CarbonylContact O-C 3.52Å; A214-L221 WeakPolarHBondContact O-CA 3.14Å; A214-Y222 PolarHBondContact N-O 2.86Å; A214-Y222 PolarHBondContact O-N 2.55Å; A214-Y224 HydrophobicContact CB-CD2 4.37Å; A214-Y224 HydrophobicContact CB-CE2 4.15Å
215	S	98.7	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	147.7	170.4	67.5	0	0	0	0	111.4	V199 T200 C201 H220 L221	V199-S215 CarbonylContact C-O 3.5Å; V199-S215 WeakPolarHBondContact CA-O 3.46Å; V199-S215 WeakPolarHBondContact CG1-O 3.46Å; T200-S215 PolarHBondContact N-O 2.83Å; T200-S215 PolarHBondContact OG1-O 2.86Å; T200-S215 PolarHBondContact OG1-OG 3.45Å; C201-S215 VanDerWaalsContact CB-OG 3.3Å; C201-S215 WeakPolarHBondContact CB-OG 3.46Å; C201-S215 PolarHBondContact N-OG 2.82Å; C201-S215 PolarHBondContact O-N 2.9Å; C201-S215 PolarHBondContact O-OG 3.44Å; S215-H220 CarbonylContact C-O 3.52Å; S215-H220 WeakPolarHBondContact CA-O 3.04Å; S215-L221 VanDerWaalsContact CB-CD2 3.49Å
216	H	98.6	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.7	-179	-74	-109.2	0	0	0	111.7	G172 D195 S197 K198 S218 G219 H220 Y222	G172-H216 PolarHBondContact O-CE1 3.44Å; D195-H216 IonicContact OD1-ND1 2.79Å; S197-H216 PolarHBondContact O-ND1 2.6Å; S197-H216 WeakPolarHBondContact OG-CB 3.41Å; K198-H216 WeakPolarHBondContact O-CA 3.48Å; H216-S218 WeakPolarHBondContact CB-OG 3.22Å; H216-S218 PolarHBondContact O-N 3.37Å; H216-G219 PolarHBondContact O-N 3.25Å; H216-H220 PolarHBondContact N-O 2.82Å; H216-Y222 AromaticContact CD2-CD2 3.47Å; H216-Y222 VanDerWaalsContact CD2-CD2 3.47Å; H216-Y222 WeakPolarHBondContact CD2-CD2 3.42Å; H216-Y222 AromaticContact CD2-CE2 3.7Å; H216-Y222 AromaticContact NE2-CD2 3.72Å
217	A	97.5	Very high	97.9	Very high	21 Å²	21	30.8 Å²	30.8	17%	0.174	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-6.1	175.2	0	0	0	0	0	113.8	K198 T200 G269	K198-A217 HydrophobicContact CD-CB 4.41Å; K198-A217 HydrophobicContact CG-CB 3.61Å; K198-A217 PolarHBondContact O-N 2.95Å; T200-A217 HydrophobicContact CG2-CB 4Å; A217-G269 WeakPolarHBondContact O-CA 3.47Å
218	S	97.8	Very high	98.1	Very high	38 Å²	38	24.8 Å²	24.8	27%	0.266	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.5	167.8	56.6	0	0	0	0	114	D195 S197 H216	D195-S218 WeakPolarHBondContact OD2-CB 3.5Å; D195-S218 PolarHBondContact OD2-OG 3.03Å; S197-S218 WeakPolarHBondContact OG-CB 3.37Å; S197-S218 PolarHBondContact OG-N 3.02Å; S197-S218 PolarHBondContact OG-OG 3.37Å; H216-S218 WeakPolarHBondContact CB-OG 3.22Å; H216-S218 PolarHBondContact O-N 3.37Å
219	G	97.4	Very high	98.1	Very high	3 Å²	3	27 Å²	27	3%	0.031	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	22.6	-172.7	0	0	0	0	0	112.9	H216 V265 G268	H216-G219 PolarHBondContact O-N 3.25Å; G219-V265 PolarHBondContact O-N 3.48Å; G219-G268 WeakPolarHBondContact CA-O 3.45Å; G219-G268 PolarHBondContact N-O 3.46Å
220	H	98.6	Very high	98.1	Very high	32 Å²	32	23.7 Å²	23.7	15%	0.148	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142.1	-175.8	-60.6	-17.8	0	0	0	112.3	D195 S215 H216 Y222 R262 W263 A264	D195-H220 IonicContact OD2-CD2 2.74Å; S215-H220 CarbonylContact C-O 3.52Å; S215-H220 WeakPolarHBondContact CA-O 3.04Å; H216-H220 PolarHBondContact N-O 2.82Å; H220-Y222 HydrophobicContact CB-CD2 4.45Å; H220-Y222 HydrophobicContact CB-CE2 3.65Å; H220-Y222 PolarHBondContact CD2-OH 3.39Å; H220-R262 PolarHBondContact CD2-NE 3.12Å; H220-R262 PolarHBondContact NE2-NH2 2.91Å; H220-W263 CarbonylContact C-O 3.48Å; H220-W263 WeakPolarHBondContact CA-O 3.31Å; H220-A264 WeakPolarHBondContact ND1-CA 3.49Å
221	L	98.7	Very high	97.9	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	144	164.1	-56.3	142.6	0	0	0	109.5	L213 A214 S215 R262 W263 V265 L270 F273	L213-L221 HydrophobicContact CD1-CB 4.11Å; L213-L221 HydrophobicContact CD2-CB 4.5Å; L213-L221 HydrophobicContact CD2-CD2 3.93Å; L213-L221 HydrophobicContact CG-CB 4.27Å; L213-L221 HydrophobicContact CG-CD2 4.09Å; A214-L221 CarbonylContact O-C 3.52Å; A214-L221 WeakPolarHBondContact O-CA 3.14Å; S215-L221 VanDerWaalsContact CB-CD2 3.49Å; L221-R262 CarbonylContact O-C 3.59Å; L221-R262 WeakPolarHBondContact O-CA 3.42Å; L221-W263 HydrophobicContact CB-CB 4.11Å; L221-W263 HydrophobicContact CD1-CB 4.26Å; L221-W263 HydrophobicContact CD1-CE3 3.81Å; L221-W263 PolarHBondContact N-O 2.88Å; L221-W263 PolarHBondContact O-N 2.88Å; L221-V265 HydrophobicContact CD1-CG2 3.87Å; L221-L270 HydrophobicContact CD1-CD1 4.04Å; L221-L270 HydrophobicContact CD2-CD1 4.12Å; L221-L270 HydrophobicContact CG-CD1 3.65Å; L221-F273 HydrophobicContact CD2-CB 4.46Å; L221-F273 HydrophobicContact CD2-CD1 3.57Å; L221-F273 HydrophobicContact CD2-CE1 3.91Å; L221-F273 HydrophobicContact CD2-CG 3.97Å
222	Y	98.8	Very high	97.7	Very high	5 Å²	5	25.7 Å²	25.7	2%	0.02	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.7	175.2	-60.8	-86	0	0	0	109.9	I194 D195 A214 H216 H220 Y224 P259 L261 R262	I194-Y222 HydrophobicContact CG2-CD1 3.63Å; I194-Y222 HydrophobicContact CG2-CE1 3.55Å; I194-Y222 HydrophobicContact CG2-CE2 4.48Å; I194-Y222 HydrophobicContact CG2-CG 4.14Å; I194-Y222 PolarHBondContact O-OH 3.07Å; D195-Y222 HydrophobicContact CB-CE2 3.74Å; D195-Y222 WeakPolarHBondContact OD2-CE2 3.42Å; D195-Y222 PolarHBondContact OD2-OH 2.74Å; A214-Y222 PolarHBondContact N-O 2.86Å; A214-Y222 PolarHBondContact O-N 2.55Å; H216-Y222 AromaticContact CD2-CD2 3.47Å; H216-Y222 VanDerWaalsContact CD2-CD2 3.47Å; H216-Y222 WeakPolarHBondContact CD2-CD2 3.42Å; H216-Y222 AromaticContact CD2-CE2 3.7Å; H216-Y222 AromaticContact NE2-CD2 3.72Å; H220-Y222 HydrophobicContact CB-CD2 4.45Å; H220-Y222 HydrophobicContact CB-CE2 3.65Å; H220-Y222 PolarHBondContact CD2-OH 3.39Å; Y222-Y224 VanDerWaalsContact CB-CE2 3.45Å; Y222-Y224 HydrophobicContact CG-CE2 4.44Å; Y222-P259 HydrophobicContact CD1-CB 4.08Å; Y222-P259 HydrophobicContact CD1-CG 4.08Å; Y222-L261 WeakPolarHBondContact CA-O 3.17Å; Y222-R262 HydrophobicContact CD1-CB 3.89Å; Y222-R262 HydrophobicContact CD1-CG 4.07Å; Y222-R262 HydrophobicContact CE1-CB 3.78Å; Y222-R262 HydrophobicContact CE1-CG 3.54Å
223	L	98.8	Very high	97.6	Very high	16 Å²	16	30.5 Å²	30.5	8%	0.084	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	125.8	172.8	-178.7	64.8	0	0	0	108.9	L205 L211 L213 L260 L261 F296	L205-L223 HydrophobicContact CD1-CD1 3.61Å; L205-L223 HydrophobicContact CD2-CD1 3.95Å; L205-L223 HydrophobicContact CG-CD1 4.45Å; L211-L223 HydrophobicContact CB-CD1 4.37Å; L213-L223 HydrophobicContact CD1-CB 4.16Å; L213-L223 HydrophobicContact CD1-CD1 4.41Å; L223-L260 HydrophobicContact CB-CB 4.32Å; L223-L260 HydrophobicContact CD2-CB 4.23Å; L223-L260 HydrophobicContact CD2-CD1 4.04Å; L223-L260 HydrophobicContact CG-CB 4.25Å; L223-L260 HydrophobicContact CG-CD1 4.13Å; L223-L260 WeakPolarHBondContact O-CB 3.42Å; L223-L260 PolarHBondContact O-N 2.97Å; L223-L261 HydrophobicContact CB-CB 4.05Å; L223-L261 HydrophobicContact CB-CG 4.48Å; L223-L261 HydrophobicContact CD2-CD1 3.86Å; L223-L261 HydrophobicContact CD2-CG 4.25Å; L223-L261 PolarHBondContact N-O 2.97Å; L223-L261 VanDerWaalsContact N-O 3.11Å; L223-F296 HydrophobicContact CD1-CZ 4.33Å
224	Y	98.8	Very high	97.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	151.6	177.6	-73	-95.4	0	0	0	110.8	F188 I194 L211 F212 A214 Y222 N258 P259	F188-Y224 HydrophobicContact CB-CD1 4.16Å; F188-Y224 HydrophobicContact CB-CE1 3.99Å; F188-Y224 AromaticContact CD1-CD1 3.92Å; F188-Y224 HydrophobicContact CD1-CD1 3.92Å; F188-Y224 HydrophobicContact CD1-CE1 4.46Å; F188-Y224 HydrophobicContact CG-CD1 4.24Å; I194-Y224 HydrophobicContact CD1-CE1 3.8Å; I194-Y224 WeakPolarHBondContact CD1-OH 3.34Å; L211-Y224 WeakPolarHBondContact CA-O 3.37Å; F212-Y224 HydrophobicContact CD2-CD2 4.33Å; F212-Y224 VanDerWaalsContact CE1-CB 3.46Å; F212-Y224 HydrophobicContact CE1-CG 4.32Å; F212-Y224 AromaticContact CE2-CD2 3.64Å; F212-Y224 HydrophobicContact CE2-CD2 3.64Å; F212-Y224 HydrophobicContact CE2-CE2 4.5Å; F212-Y224 AromaticContact CE2-CG 3.71Å; F212-Y224 HydrophobicContact CE2-CG 3.71Å; F212-Y224 HydrophobicContact CZ-CD1 4.22Å; F212-Y224 HydrophobicContact CZ-CD2 4.04Å; F212-Y224 AromaticContact CZ-CG 3.6Å; F212-Y224 HydrophobicContact CZ-CG 3.6Å; F212-Y224 PolarHBondContact N-O 2.95Å; F212-Y224 VanDerWaalsContact N-O 3.12Å; F212-Y224 PolarHBondContact O-N 2.84Å; A214-Y224 HydrophobicContact CB-CD2 4.37Å; A214-Y224 HydrophobicContact CB-CE2 4.15Å; Y222-Y224 VanDerWaalsContact CB-CE2 3.45Å; Y222-Y224 HydrophobicContact CG-CE2 4.44Å; Y224-N258 WeakPolarHBondContact CA-OD1 3.42Å; Y224-N258 HydrophobicContact CD1-CB 3.61Å; Y224-N258 HydrophobicContact CE1-CB 3.94Å; Y224-P259 HydrophobicContact CE1-CB 4.45Å
225	N	98.4	Very high	97.4	Very high	22 Å²	22	34.5 Å²	34.5	12%	0.118	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127	165.8	-176	-40.1	0	0	0	109.7	N210 L211 D227 H228 N258 L260	N210-N225 CarbonylContact O-C 3.59Å; N210-N225 VanDerWaalsContact O-CA 3.28Å; N210-N225 WeakPolarHBondContact O-CA 3.31Å; L211-N225 HydrophobicContact CD2-CB 3.71Å; N225-D227 PolarHBondContact O-N 3.45Å; N225-D227 WeakPolarHBondContact OD1-CB 3.15Å; N225-D227 PolarHBondContact OD1-N 3.06Å; N225-D227 PolarHBondContact OD1-OD2 2.63Å; N225-H228 HydrophobicContact CB-CB 4.27Å; N225-H228 PolarHBondContact O-N 2.94Å; N225-H228 VanDerWaalsContact O-N 3.09Å; N225-N258 PolarHBondContact N-OD1 3.46Å; N225-N258 PolarHBondContact O-ND2 2.84Å; N225-L260 HydrophobicContact CB-CD1 4.03Å; N225-L260 HydrophobicContact CB-CG 4.43Å
226	V	97.9	Very high	97.3	Very high	10 Å²	10	41.1 Å²	41.1	6%	0.061	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.6	-178.1	175.5	0	0	0	0	112.4	Y176 K186 W204 N210 F212 H228	Y176-V226 HydrophobicContact CD1-CG1 4.04Å; Y176-V226 HydrophobicContact CD2-CG1 4.15Å; Y176-V226 HydrophobicContact CD2-CG2 4.18Å; Y176-V226 HydrophobicContact CE1-CG1 3.88Å; Y176-V226 HydrophobicContact CE2-CG1 4.02Å; Y176-V226 HydrophobicContact CE2-CG2 4.33Å; Y176-V226 HydrophobicContact CG-CG1 4.16Å; K186-V226 PolarHBondContact NZ-O 3.34Å; W204-V226 HydrophobicContact CH2-CG2 3.53Å; W204-V226 HydrophobicContact CZ3-CG2 3.66Å; N210-V226 HydrophobicContact CB-CB 4.46Å; N210-V226 WeakPolarHBondContact O-CG2 3.46Å; N210-V226 PolarHBondContact O-N 2.8Å; F212-V226 HydrophobicContact CD1-CG2 4.03Å; F212-V226 HydrophobicContact CE1-CG2 4.06Å; V226-H228 VanDerWaalsContact C-N 3.34Å
227	D	97.3	Very high	97.2	Very high	98 Å²	98	43.5 Å²	43.5	52%	0.524	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-23.1	-178.2	-57.4	-41.9	0	0	0	112.1	N210 N225	N210-D227 PolarHBondContact ND2-OD2 2.98Å; N225-D227 PolarHBondContact O-N 3.45Å; N225-D227 WeakPolarHBondContact OD1-CB 3.15Å; N225-D227 PolarHBondContact OD1-N 3.06Å; N225-D227 PolarHBondContact OD1-OD2 2.63Å
228	H	97.5	Very high	97.2	Very high	43 Å²	43	44.5 Å²	44.5	20%	0.199	26%	0.264	C	S	.	.	S	Bend	trans	-87.4	143.9	-174.7	-62.8	177.6	0	0	0	112.1	K186 N225 V226 N258	K186-H228 PolarHBondContact NZ-O 2.87Å; N225-H228 HydrophobicContact CB-CB 4.27Å; N225-H228 PolarHBondContact O-N 2.94Å; N225-H228 VanDerWaalsContact O-N 3.09Å; V226-H228 VanDerWaalsContact C-N 3.34Å; H228-N258 PolarHBondContact O-ND2 3.43Å
229	P	96.5	Very high	97.2	Very high	70 Å²	70	46.9 Å²	46.9	46%	0.455	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-81.3	155.9	173.7	32.6	-34.6	0	0	0	111.8	R257 N258	P229-R257 CarbonylContact O-C 3.57Å; P229-R257 WeakPolarHBondContact O-CA 3.38Å; P229-N258 PolarHBondContact O-N 2.87Å
230	C	96.8	Very high	97.2	Very high	37 Å²	37	51.3 Å²	51.3	25%	0.25	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-77.4	149.8	164.3	-71.4	0	0	0	0	110.7	N189	N189-C230 PolarHBondContact N-SG 2.85Å; N189-C230 VanDerWaalsContact N-SG 3.35Å
231	G	93.1	Very high	97.1	Very high	20 Å²	20	53.9 Å²	53.9	21%	0.206	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-73.9	156.8	174.5	0	0	0	0	0	113.3	T233	G231-T233 VanDerWaalsContact C-N 3.3Å
232	T	94.3	Very high	97	Very high	121 Å²	121	59.4 Å²	59.4	74%	0.742	33%	0.33	S	S	*	.	S	Bend	trans	-83.5	-5.7	173.8	52.7	0	0	0	0	113.3	L193	L193-T232 VanDerWaalsContact CD1-O 3.31Å; L193-T232 WeakPolarHBondContact CD1-O 3.03Å
233	T	96	Very high	96.8	Very high	101 Å²	101	60.8 Å²	60.8	62%	0.62	35%	0.345	S	S	*	.	S	Bend	trans	-127.5	158.6	176.5	61.2	0	0	0	0	109.6	G231	G231-T233 VanDerWaalsContact C-N 3.3Å
234	A	96.8	Very high	96.4	Very high	60 Å²	60	66.4 Å²	66.4	50%	0.496	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-53.9	131	174.7	0	0	0	0	0	111
235	P	96.6	Very high	95.9	Very high	26 Å²	26	68.4 Å²	68.4	17%	0.169	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-62.8	143.1	-179	-20	29.8	0	0	0	112.1	I194 Y237 P259	I194-P235 HydrophobicContact CG1-CG 3.98Å; P235-Y237 HydrophobicContact CB-CE1 4.27Å; P235-Y237 HydrophobicContact CB-CE2 4.03Å; P235-Y237 WeakPolarHBondContact O-CE2 3.33Å; P235-P259 HydrophobicContact CG-CG 4.26Å
236	Q	96.9	Very high	95.8	Very high	140 Å²	140	68.2 Å²	68.2	65%	0.654	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-94.2	140.6	170.3	-67.8	-170.2	-18.3	0	0	109.9	K252	Q236-K252 HydrophobicContact CB-CB 4.26Å; Q236-K252 PolarHBondContact O-N 3.43Å
237	Y	97.5	Very high	95.9	Very high	49 Å²	49	68.1 Å²	68.1	19%	0.192	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	145.2	-172.6	-66.9	-71.3	0	0	0	111.6	P235 A250 P259 R262	P235-Y237 HydrophobicContact CB-CE1 4.27Å; P235-Y237 HydrophobicContact CB-CE2 4.03Å; P235-Y237 WeakPolarHBondContact O-CE2 3.33Å; Y237-A250 WeakPolarHBondContact CA-O 3.26Å; Y237-P259 HydrophobicContact CE1-CG 4.18Å; Y237-P259 WeakPolarHBondContact OH-CG 3.44Å; Y237-R262 HydrophobicContact CD1-CB 4.08Å; Y237-R262 HydrophobicContact CE1-CB 3.61Å
238	S	97.4	Very high	95.9	Very high	43 Å²	43	63.5 Å²	63.5	30%	0.301	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.8	162.5	17.2	0	0	0	0	109.3	L240 Y249 A250 K252	S238-L240 PolarHBondContact O-N 3.33Å; S238-Y249 CarbonylContact O-C 3.5Å; S238-Y249 WeakPolarHBondContact O-CA 3.18Å; S238-Y249 WeakPolarHBondContact O-CB 3.3Å; S238-A250 PolarHBondContact N-O 2.79Å; S238-A250 PolarHBondContact O-N 2.92Å; S238-A250 PolarHBondContact OG-O 2.89Å; S238-K252 VanDerWaalsContact OG-CE 3.27Å; S238-K252 WeakPolarHBondContact OG-CE 3.38Å; S238-K252 WeakPolarHBondContact OG-CG 3.5Å
239	L	97.9	Very high	96	Very high	88 Å²	88	64.6 Å²	64.6	46%	0.461	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	126.2	171.8	-174	68.9	0	0	0	109.3	R241 Q242 A247 Y249	L239-R241 WeakPolarHBondContact CD1-O 3.38Å; L239-Q242 HydrophobicContact CD1-CB 4.25Å; L239-Q242 HydrophobicContact CD2-CB 4.23Å; L239-A247 HydrophobicContact CD1-CB 4.1Å; L239-Y249 HydrophobicContact CB-CD1 4.18Å; L239-Y249 HydrophobicContact CB-CE1 4.14Å; L239-Y249 HydrophobicContact CD1-CD1 4.04Å; L239-Y249 HydrophobicContact CD1-CE1 3.61Å
240	L	97.1	Very high	96	Very high	95 Å²	95	62.5 Å²	62.5	50%	0.497	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-43	175.1	-179	62.6	0	0	0	110.4	S238 V248 L261 M299	S238-L240 PolarHBondContact O-N 3.33Å; L240-V248 HydrophobicContact CB-CG1 4.31Å; L240-V248 HydrophobicContact CD2-CG1 4.21Å; L240-V248 PolarHBondContact N-O 2.81Å; L240-L261 HydrophobicContact CD2-CD2 4.08Å; L240-M299 HydrophobicContact CD2-CE 3.78Å; L240-M299 HydrophobicContact CD2-SD 3.46Å; L240-M299 WeakPolarHBondContact CD2-SD 3.49Å; L240-M299 HydrophobicContact CG-SD 4.27Å
241	R	97	Very high	95.9	Very high	86 Å²	86	62.2 Å²	62.2	33%	0.325	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	149	177.9	-172.6	170.6	-75.1	-99	15.5	111.2	L239 F246 A247 V248 S298 M299 E300	L239-R241 WeakPolarHBondContact CD1-O 3.38Å; R241-F246 HydrophobicContact CG-CE2 4.5Å; R241-A247 CarbonylContact O-C 3.52Å; R241-A247 WeakPolarHBondContact O-CA 3.34Å; R241-V248 HydrophobicContact CB-CB 4.19Å; R241-V248 PolarHBondContact N-O 3.22Å; R241-V248 VanDerWaalsContact N-O 3.1Å; R241-V248 PolarHBondContact O-N 2.75Å; R241-S298 VanDerWaalsContact CZ-O 3.23Å; R241-S298 PolarHBondContact NE-O 3.47Å; R241-S298 PolarHBondContact NH2-O 2.92Å; R241-S298 VanDerWaalsContact NH2-O 3.07Å; R241-M299 WeakPolarHBondContact CD-O 3.31Å; R241-E300 IonicContact CZ-OE1 3.33Å; R241-E300 VanDerWaalsContact CZ-OE1 3.24Å; R241-E300 VanDerWaalsContact NH1-CG 3.3Å; R241-E300 IonicContact NH1-OE1 2.73Å; R241-E300 PolarHBondContact NH1-OE1 3.12Å; R241-E300 IonicContact NH2-OE1 3.53Å; R241-E300 PolarHBondContact NH2-OE1 2.9Å
242	Q	96.1	Very high	96	Very high	118 Å²	118	67 Å²	67	55%	0.551	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	140.7	174	-171.8	168.6	11.2	0	0	109.2	L239	L239-Q242 HydrophobicContact CD1-CB 4.25Å; L239-Q242 HydrophobicContact CD2-CB 4.23Å
243	G	93.9	Very high	95.9	Very high	33 Å²	33	63.7 Å²	63.7	34%	0.34	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	-169.7	172.1	0	0	0	0	0	111.3	G245 F246	G243-G245 PolarHBondContact O-N 3.11Å; G243-G245 VanDerWaalsContact O-N 3.16Å; G243-F246 VanDerWaalsContact CA-CE1 3.4Å; G243-F246 PolarHBondContact N-O 2.97Å; G243-F246 PolarHBondContact O-N 2.92Å
244	E	89.9	Confident	95.7	Very high	134 Å²	134	69.3 Å²	69.3	63%	0.626	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	114.9	-176.6	-171.7	175.7	-178.5	0	0	111.1	F246	E244-F246 VanDerWaalsContact C-N 3.25Å; E244-F246 PolarHBondContact O-N 3.42Å
245	G	89.5	Confident	95.5	Very high	43 Å²	43	69.7 Å²	69.7	44%	0.443	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	17.9	179.2	0	0	0	0	0	114.5	G243 G266	G243-G245 PolarHBondContact O-N 3.11Å; G243-G245 VanDerWaalsContact O-N 3.16Å; G245-G266 WeakPolarHBondContact O-CA 3.35Å; G245-G266 PolarHBondContact O-N 3.24Å
246	F	96.7	Very high	95.4	Very high	18 Å²	18	72.6 Å²	72.6	8%	0.079	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	158.2	171.6	79.4	-78.2	0	0	0	113.5	R241 G243 E244 V248 A264 F294 M299 L301	R241-F246 HydrophobicContact CG-CE2 4.5Å; G243-F246 VanDerWaalsContact CA-CE1 3.4Å; G243-F246 PolarHBondContact N-O 2.97Å; G243-F246 PolarHBondContact O-N 2.92Å; E244-F246 VanDerWaalsContact C-N 3.25Å; E244-F246 PolarHBondContact O-N 3.42Å; F246-V248 HydrophobicContact CD2-CG2 4.14Å; F246-V248 HydrophobicContact CE2-CG2 4.22Å; F246-A264 CarbonylContact C-O 3.6Å; F246-A264 WeakPolarHBondContact CA-O 3.46Å; F246-A264 WeakPolarHBondContact CB-O 3.43Å; F246-F294 HydrophobicContact CB-CE1 4.07Å; F246-F294 HydrophobicContact CB-CZ 4.06Å; F246-F294 AromaticContact CD1-CE1 3.68Å; F246-F294 HydrophobicContact CD1-CE1 3.68Å; F246-F294 HydrophobicContact CD1-CZ 4.37Å; F246-F294 HydrophobicContact CD2-CD1 4.43Å; F246-F294 AromaticContact CD2-CE1 3.76Å; F246-F294 HydrophobicContact CD2-CE1 3.76Å; F246-F294 HydrophobicContact CD2-CZ 4.49Å; F246-F294 AromaticContact CE1-CE1 3.98Å; F246-F294 HydrophobicContact CE1-CE1 3.98Å; F246-F294 HydrophobicContact CE2-CD1 4.38Å; F246-F294 HydrophobicContact CE2-CE1 4.07Å; F246-F294 AromaticContact CG-CE1 3.56Å; F246-F294 HydrophobicContact CG-CE1 3.56Å; F246-F294 HydrophobicContact CG-CZ 4.07Å; F246-F294 HydrophobicContact CZ-CD1 4.48Å; F246-F294 HydrophobicContact CZ-CE1 4.17Å; F246-M299 WeakPolarHBondContact CE2-O 3.13Å; F246-L301 HydrophobicContact CD1-CB 4.33Å; F246-L301 HydrophobicContact CE1-CB 3.64Å; F246-L301 HydrophobicContact CE1-CD2 4.36Å; F246-L301 HydrophobicContact CZ-CB 4.2Å
247	A	98.1	Very high	95.4	Very high	8 Å²	8	70.8 Å²	70.8	7%	0.066	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	141.6	170.9	0	0	0	0	0	111	L239 R241 Y249 W263 A264	L239-A247 HydrophobicContact CD1-CB 4.1Å; R241-A247 CarbonylContact O-C 3.52Å; R241-A247 WeakPolarHBondContact O-CA 3.34Å; A247-Y249 HydrophobicContact CB-CE2 3.6Å; A247-W263 CarbonylContact O-C 3.47Å; A247-W263 WeakPolarHBondContact O-CA 3.4Å; A247-A264 PolarHBondContact N-O 3.04Å; A247-A264 PolarHBondContact O-N 2.89Å
248	V	98.5	Very high	95.4	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.8	179.2	178	0	0	0	0	109.4	L240 R241 F246 W263 M299	L240-V248 HydrophobicContact CB-CG1 4.31Å; L240-V248 HydrophobicContact CD2-CG1 4.21Å; L240-V248 PolarHBondContact N-O 2.81Å; R241-V248 HydrophobicContact CB-CB 4.19Å; R241-V248 PolarHBondContact N-O 3.22Å; R241-V248 VanDerWaalsContact N-O 3.1Å; R241-V248 PolarHBondContact O-N 2.75Å; F246-V248 HydrophobicContact CD2-CG2 4.14Å; F246-V248 HydrophobicContact CE2-CG2 4.22Å; V248-W263 HydrophobicContact CB-CG 4.49Å; V248-W263 HydrophobicContact CG1-CG 4.39Å; V248-W263 HydrophobicContact CG2-CD2 3.96Å; V248-W263 HydrophobicContact CG2-CG 3.74Å; V248-W263 HydrophobicContact CG2-CZ2 4.44Å; V248-W263 VanDerWaalsContact CG2-NE1 3.3Å; V248-M299 HydrophobicContact CB-SD 4.39Å; V248-M299 HydrophobicContact CG1-SD 3.58Å; V248-M299 VanDerWaalsContact CG1-SD 3.58Å; V248-M299 HydrophobicContact CG2-CB 4.24Å
249	Y	98.4	Very high	95.4	Very high	66 Å²	66	66.5 Å²	66.5	26%	0.259	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.7	-179.3	-54.3	-94.1	0	0	0	111.2	S238 L239 A247 L261 R262 A264	S238-Y249 CarbonylContact O-C 3.5Å; S238-Y249 WeakPolarHBondContact O-CA 3.18Å; S238-Y249 WeakPolarHBondContact O-CB 3.3Å; L239-Y249 HydrophobicContact CB-CD1 4.18Å; L239-Y249 HydrophobicContact CB-CE1 4.14Å; L239-Y249 HydrophobicContact CD1-CD1 4.04Å; L239-Y249 HydrophobicContact CD1-CE1 3.61Å; A247-Y249 HydrophobicContact CB-CE2 3.6Å; Y249-L261 CarbonylContact O-C 3.49Å; Y249-L261 VanDerWaalsContact O-CA 3.32Å; Y249-L261 WeakPolarHBondContact O-CA 3.43Å; Y249-R262 PolarHBondContact N-O 2.84Å; Y249-R262 PolarHBondContact O-N 3.43Å; Y249-A264 HydrophobicContact CE2-CB 4.43Å
250	A	97.5	Very high	95.4	Very high	26 Å²	26	64.6 Å²	64.6	22%	0.215	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	142.5	169.9	0	0	0	0	0	110.6	Y237 S238 L261	Y237-A250 WeakPolarHBondContact CA-O 3.26Å; S238-A250 PolarHBondContact N-O 2.79Å; S238-A250 PolarHBondContact O-N 2.92Å; S238-A250 PolarHBondContact OG-O 2.89Å; A250-L261 HydrophobicContact CB-CD2 4.13Å
251	C	95.3	Very high	95.5	Very high	31 Å²	31	61.3 Å²	61.3	21%	0.209	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	127.5	175.1	-173.9	0	0	0	0	111	S253 P259 L260	C251-S253 PolarHBondContact O-N 2.74Å; C251-P259 WeakPolarHBondContact CB-O 3.46Å; C251-L260 PolarHBondContact N-O 2.83Å
252	K	94.5	Very high	95.6	Very high	120 Å²	120	60.2 Å²	60.2	52%	0.522	32%	0.316	S	S	.	.			trans	-82.3	104.2	174.7	-66.5	-177.3	-179.7	178.4	0	109.1	Q236 S238	Q236-K252 HydrophobicContact CB-CB 4.26Å; Q236-K252 PolarHBondContact O-N 3.43Å; S238-K252 VanDerWaalsContact OG-CE 3.27Å; S238-K252 WeakPolarHBondContact OG-CE 3.38Å; S238-K252 WeakPolarHBondContact OG-CG 3.5Å
253	S	91.6	Very high	95.7	Very high	53 Å²	53	55 Å²	55	37%	0.371	29%	0.291	S	S	.	.			trans	-147.3	143.6	175.6	-176	0	0	0	0	111.4	C251 T255	C251-S253 PolarHBondContact O-N 2.74Å; S253-T255 VanDerWaalsContact C-N 3.33Å; S253-T255 VanDerWaalsContact CB-O 3.28Å; S253-T255 WeakPolarHBondContact CB-O 3.43Å; S253-T255 PolarHBondContact OG-N 2.89Å; S253-T255 PolarHBondContact OG-O 2.84Å
254	K	91.8	Very high	95.9	Very high	219 Å²	219	54.4 Å²	54.4	95%	0.952	28%	0.283	S	S	*	.	S	Bend	trans	-79	-20.1	172.2	-65.6	-176	-179.7	-179.9	0	112.5
255	T	93.7	Very high	96.2	Very high	68 Å²	68	48.2 Å²	48.2	42%	0.417	26%	0.255	S	S	.	.	S	Bend	trans	-120.8	151.6	178.8	66	0	0	0	0	109.8	S253 R257	S253-T255 VanDerWaalsContact C-N 3.33Å; S253-T255 VanDerWaalsContact CB-O 3.28Å; S253-T255 WeakPolarHBondContact CB-O 3.43Å; S253-T255 PolarHBondContact OG-N 2.89Å; S253-T255 PolarHBondContact OG-O 2.84Å; T255-R257 PolarHBondContact O-N 3.42Å; T255-R257 VanDerWaalsContact O-N 3.15Å; T255-R257 PolarHBondContact OG1-NE 2.79Å
256	P	94.6	Very high	96.3	Very high	87 Å²	87	47.5 Å²	47.5	57%	0.565	25%	0.247	S	C	*	.			trans	-55.8	120.7	173.2	-23.3	33.4	0	0	0	110.9
257	R	96.4	Very high	95.9	Very high	101 Å²	101	50.6 Å²	50.6	38%	0.381	26%	0.262	S	S	.	.			trans	-148.1	152	-178.5	-69.2	-172.6	-167.3	-125.9	0.9	110.6	P229 T255	P229-R257 CarbonylContact O-C 3.57Å; P229-R257 WeakPolarHBondContact O-CA 3.38Å; T255-R257 PolarHBondContact O-N 3.42Å; T255-R257 VanDerWaalsContact O-N 3.15Å; T255-R257 PolarHBondContact OG1-NE 2.79Å
258	N	97.8	Very high	95.6	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.011	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-88.8	147.1	170.4	-78.4	-40.6	0	0	0	112.1	F188 Y224 N225 H228 P229	F188-N258 WeakPolarHBondContact CE1-ND2 3.2Å; Y224-N258 WeakPolarHBondContact CA-OD1 3.42Å; Y224-N258 HydrophobicContact CD1-CB 3.61Å; Y224-N258 HydrophobicContact CE1-CB 3.94Å; N225-N258 PolarHBondContact N-OD1 3.46Å; N225-N258 PolarHBondContact O-ND2 2.84Å; H228-N258 PolarHBondContact O-ND2 3.43Å; P229-N258 PolarHBondContact O-N 2.87Å
259	P	98	Very high	95.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.29	C	S	.	.			cis	-78.2	155.8	-3.8	34.9	-33.9	0	0	0	111.4	I194 Y222 Y224 P235 Y237 C251	I194-P259 HydrophobicContact CD1-CG 4.39Å; I194-P259 HydrophobicContact CG2-CB 4.39Å; I194-P259 HydrophobicContact CG2-CG 3.81Å; Y222-P259 HydrophobicContact CD1-CB 4.08Å; Y222-P259 HydrophobicContact CD1-CG 4.08Å; Y224-P259 HydrophobicContact CE1-CB 4.45Å; P235-P259 HydrophobicContact CG-CG 4.26Å; Y237-P259 HydrophobicContact CE1-CG 4.18Å; Y237-P259 WeakPolarHBondContact OH-CG 3.44Å; C251-P259 WeakPolarHBondContact CB-O 3.46Å
260	L	98	Very high	95.2	Very high	48 Å²	48	50.2 Å²	50.2	25%	0.251	28%	0.278	S	S	.	.	S	Bend	trans	-73.3	-50.8	174.5	-63.2	-174.5	0	0	0	111.2	L211 L223 N225 C251	L211-L260 HydrophobicContact CD2-CD1 3.83Å; L223-L260 HydrophobicContact CB-CB 4.32Å; L223-L260 HydrophobicContact CD2-CB 4.23Å; L223-L260 HydrophobicContact CD2-CD1 4.04Å; L223-L260 HydrophobicContact CG-CB 4.25Å; L223-L260 HydrophobicContact CG-CD1 4.13Å; L223-L260 WeakPolarHBondContact O-CB 3.42Å; L223-L260 PolarHBondContact O-N 2.97Å; N225-L260 HydrophobicContact CB-CD1 4.03Å; N225-L260 HydrophobicContact CB-CG 4.43Å; C251-L260 PolarHBondContact N-O 2.83Å
261	L	98.3	Very high	95.2	Very high	26 Å²	26	50.8 Å²	50.8	14%	0.136	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.6	-178.7	-59.5	174.5	0	0	0	110	Y222 L223 L240 Y249 A250 M299	Y222-L261 WeakPolarHBondContact CA-O 3.17Å; L223-L261 HydrophobicContact CB-CB 4.05Å; L223-L261 HydrophobicContact CB-CG 4.48Å; L223-L261 HydrophobicContact CD2-CD1 3.86Å; L223-L261 HydrophobicContact CD2-CG 4.25Å; L223-L261 PolarHBondContact N-O 2.97Å; L223-L261 VanDerWaalsContact N-O 3.11Å; L240-L261 HydrophobicContact CD2-CD2 4.08Å; Y249-L261 CarbonylContact O-C 3.49Å; Y249-L261 VanDerWaalsContact O-CA 3.32Å; Y249-L261 WeakPolarHBondContact O-CA 3.43Å; A250-L261 HydrophobicContact CB-CD2 4.13Å; L261-M299 HydrophobicContact CD1-CE 3.55Å; L261-M299 HydrophobicContact CD2-CE 4.48Å
262	R	98.5	Very high	95.4	Very high	64 Å²	64	50.7 Å²	50.7	24%	0.242	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.5	165	171.7	-175.9	167.6	-163.2	-3	108.6	H220 L221 Y222 Y237 Y249	H220-R262 PolarHBondContact CD2-NE 3.12Å; H220-R262 PolarHBondContact NE2-NH2 2.91Å; L221-R262 CarbonylContact O-C 3.59Å; L221-R262 WeakPolarHBondContact O-CA 3.42Å; Y222-R262 HydrophobicContact CD1-CB 3.89Å; Y222-R262 HydrophobicContact CD1-CG 4.07Å; Y222-R262 HydrophobicContact CE1-CB 3.78Å; Y222-R262 HydrophobicContact CE1-CG 3.54Å; Y237-R262 HydrophobicContact CD1-CB 4.08Å; Y237-R262 HydrophobicContact CE1-CB 3.61Å; Y249-R262 PolarHBondContact N-O 2.84Å; Y249-R262 PolarHBondContact O-N 3.43Å
263	W	98.4	Very high	95.6	Very high	8 Å²	8	45.1 Å²	45.1	3%	0.03	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.1	168.6	-72.7	17.2	0	0	0	109.1	H220 L221 A247 V248 V265 V282 F294 F296 M299	H220-W263 CarbonylContact C-O 3.48Å; H220-W263 WeakPolarHBondContact CA-O 3.31Å; L221-W263 HydrophobicContact CB-CB 4.11Å; L221-W263 HydrophobicContact CD1-CB 4.26Å; L221-W263 HydrophobicContact CD1-CE3 3.81Å; L221-W263 PolarHBondContact N-O 2.88Å; L221-W263 PolarHBondContact O-N 2.88Å; A247-W263 CarbonylContact O-C 3.47Å; A247-W263 WeakPolarHBondContact O-CA 3.4Å; V248-W263 HydrophobicContact CB-CG 4.49Å; V248-W263 HydrophobicContact CG1-CG 4.39Å; V248-W263 HydrophobicContact CG2-CD2 3.96Å; V248-W263 HydrophobicContact CG2-CG 3.74Å; V248-W263 HydrophobicContact CG2-CZ2 4.44Å; V248-W263 VanDerWaalsContact CG2-NE1 3.3Å; W263-V265 HydrophobicContact CB-CG2 4.15Å; W263-V282 HydrophobicContact CH2-CG1 3.93Å; W263-V282 HydrophobicContact CZ3-CG1 3.58Å; W263-F294 HydrophobicContact CH2-CB 3.97Å; W263-F294 HydrophobicContact CH2-CG 4.36Å; W263-F294 HydrophobicContact CZ3-CB 3.85Å; W263-F294 AromaticContact CZ3-CD2 3.93Å; W263-F294 HydrophobicContact CZ3-CD2 3.93Å; W263-F294 AromaticContact CZ3-CG 3.85Å; W263-F294 HydrophobicContact CZ3-CG 3.85Å; W263-F296 HydrophobicContact CH2-CD2 4.22Å; W263-M299 HydrophobicContact CZ2-CB 3.95Å; W263-M299 HydrophobicContact CZ2-CG 3.89Å
264	A	98.1	Very high	95.9	Very high	21 Å²	21	43.5 Å²	43.5	17%	0.174	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.4	165	0	0	0	0	0	108.6	H220 F246 A247 Y249	H220-A264 WeakPolarHBondContact ND1-CA 3.49Å; F246-A264 CarbonylContact C-O 3.6Å; F246-A264 WeakPolarHBondContact CA-O 3.46Å; F246-A264 WeakPolarHBondContact CB-O 3.43Å; A247-A264 PolarHBondContact N-O 3.04Å; A247-A264 PolarHBondContact O-N 2.89Å; Y249-A264 HydrophobicContact CE2-CB 4.43Å
265	V	97.1	Very high	96.3	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.024	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.9	-172.9	-176.8	0	0	0	0	109.9	G219 L221 W263 L270 C284 F294	G219-V265 PolarHBondContact O-N 3.48Å; L221-V265 HydrophobicContact CD1-CG2 3.87Å; W263-V265 HydrophobicContact CB-CG2 4.15Å; V265-L270 HydrophobicContact CB-CD1 4.17Å; V265-L270 HydrophobicContact CB-CD2 4.21Å; V265-L270 HydrophobicContact CB-CG 4.5Å; V265-L270 HydrophobicContact CG1-CD2 4.14Å; V265-L270 HydrophobicContact CG2-CD1 4.45Å; V265-C284 HydrophobicContact CG1-CB 4.34Å; V265-F294 HydrophobicContact CG1-CE2 3.95Å; V265-F294 HydrophobicContact CG1-CZ 4.01Å; V265-F294 HydrophobicContact CG2-CE2 4.37Å; V265-F294 HydrophobicContact CG2-CZ 4.44Å
266	G	91.3	Very high	96.5	Very high	28 Å²	28	31.3 Å²	31.3	29%	0.289	18%	0.182	S	C	.	.	S	Bend	trans	65.2	-161.6	176.3	0	0	0	0	0	114.5	G245 D288	G245-G266 WeakPolarHBondContact O-CA 3.35Å; G245-G266 PolarHBondContact O-N 3.24Å; G266-D288 WeakPolarHBondContact CA-OD2 3.45Å
267	E	88.2	Confident	96.6	Very high	82 Å²	82	30.8 Å²	30.8	38%	0.383	18%	0.178	S	C	.	.	S	Bend	trans	-109.6	144.2	170.5	-65.1	-170.9	159.3	0	0	110.3	D288 S596	E267-D288 HydrophobicContact CB-CB 4.44Å; E267-D288 PolarHBondContact N-OD2 3.3Å; E267-D288 WeakPolarHBondContact O-CB 3.29Å; E267-S596 WeakPolarHBondContact OE1-CB 3.47Å; E267-S596 PolarHBondContact OE1-OG 3.31Å
268	G	90.9	Very high	96.5	Very high	48 Å²	48	30.5 Å²	30.5	50%	0.495	18%	0.184	S	C	.	.	S	Bend	trans	78.6	-168	-179.1	0	0	0	0	0	113.5	G219	G219-G268 WeakPolarHBondContact CA-O 3.45Å; G219-G268 PolarHBondContact N-O 3.46Å
269	G	92.3	Very high	96.4	Very high	15 Å²	15	31.2 Å²	31.2	16%	0.155	19%	0.192	C	C	.	.			trans	-77.2	144.2	-175.5	0	0	0	0	0	113.3	A217 G286 Q287	A217-G269 WeakPolarHBondContact O-CA 3.47Å; G269-G286 VanDerWaalsContact O-CA 3.32Å; G269-G286 WeakPolarHBondContact O-CA 3.35Å; G269-Q287 PolarHBondContact O-N 2.69Å
270	L	97.2	Very high	96.4	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.9	165.8	-79.3	174.2	0	0	0	109.3	T200 L221 V265 C284	T200-L270 VanDerWaalsContact CB-O 3.25Å; T200-L270 WeakPolarHBondContact CB-O 3.37Å; T200-L270 VanDerWaalsContact CG2-O 3.29Å; T200-L270 WeakPolarHBondContact CG2-O 3.2Å; T200-L270 PolarHBondContact OG1-O 3.02Å; L221-L270 HydrophobicContact CD1-CD1 4.04Å; L221-L270 HydrophobicContact CD2-CD1 4.12Å; L221-L270 HydrophobicContact CG-CD1 3.65Å; V265-L270 HydrophobicContact CB-CD1 4.17Å; V265-L270 HydrophobicContact CB-CD2 4.21Å; V265-L270 HydrophobicContact CB-CG 4.5Å; V265-L270 HydrophobicContact CG1-CD2 4.14Å; V265-L270 HydrophobicContact CG2-CD1 4.45Å; L270-C284 HydrophobicContact CD2-CB 4.05Å
271	N	98	Very high	96.4	Very high	37 Å²	37	32 Å²	32	20%	0.198	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-46.5	-178.1	-70	-37	0	0	0	111.1	V285 Q287 L312	N271-V285 PolarHBondContact N-O 2.78Å; N271-Q287 PolarHBondContact ND2-OE1 2.74Å; N271-L312 PolarHBondContact ND2-O 3.11Å
272	E	98.6	Very high	96.4	Very high	29 Å²	29	30.8 Å²	30.8	14%	0.136	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.2	179.7	-167.5	164.1	-126	0	0	111	V285 C314 V315	E272-V285 HydrophobicContact CB-CG2 3.93Å; E272-V285 PolarHBondContact N-O 2.92Å; E272-V285 WeakPolarHBondContact O-CG2 3.3Å; E272-V285 PolarHBondContact O-N 3.36Å; E272-C314 WeakPolarHBondContact OE2-CA 3.33Å; E272-C314 WeakPolarHBondContact OE2-CB 3.06Å; E272-V315 HydrophobicContact CG-CG1 4.44Å; E272-V315 PolarHBondContact OE2-N 3.2Å
273	F	98.8	Very high	96.5	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.3	164.9	72.7	-87.1	0	0	0	110.3	C201 K203 L213 L221 F275 V282 A283	C201-F273 HydrophobicContact CB-CD1 3.77Å; C201-F273 HydrophobicContact CB-CE1 3.73Å; K203-F273 HydrophobicContact CB-CE2 3.73Å; K203-F273 HydrophobicContact CB-CZ 3.84Å; K203-F273 HydrophobicContact CG-CE2 3.9Å; K203-F273 HydrophobicContact CG-CZ 4.05Å; L213-F273 HydrophobicContact CB-CE2 4.03Å; L213-F273 HydrophobicContact CB-CZ 3.84Å; L213-F273 HydrophobicContact CD2-CD2 4.04Å; L213-F273 HydrophobicContact CD2-CE2 3.7Å; L213-F273 HydrophobicContact CD2-CZ 4.05Å; L213-F273 HydrophobicContact CG-CE2 4.2Å; L213-F273 HydrophobicContact CG-CZ 4.07Å; L213-F273 WeakPolarHBondContact O-CZ 3.48Å; L221-F273 HydrophobicContact CD2-CB 4.46Å; L221-F273 HydrophobicContact CD2-CD1 3.57Å; L221-F273 HydrophobicContact CD2-CE1 3.91Å; L221-F273 HydrophobicContact CD2-CG 3.97Å; F273-F275 HydrophobicContact CE2-CD2 4.38Å; F273-F275 AromaticContact CE2-CE2 3.95Å; F273-F275 HydrophobicContact CE2-CE2 3.95Å; F273-V282 HydrophobicContact CB-CG2 4.22Å; F273-V282 HydrophobicContact CD2-CG2 3.81Å; F273-V282 HydrophobicContact CG-CG2 4.41Å; F273-A283 CarbonylContact C-O 3.58Å; F273-A283 WeakPolarHBondContact CA-O 3.24Å; F273-A283 VanDerWaalsContact CB-O 3.22Å; F273-A283 WeakPolarHBondContact CB-O 3.23Å
274	A	98.8	Very high	96.5	Very high	19 Å²	19	27.4 Å²	27.4	16%	0.157	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	134.6	177	0	0	0	0	0	110.9	A283 V315 W317	A274-A283 PolarHBondContact N-O 2.84Å; A274-A283 PolarHBondContact O-N 3.21Å; A274-V315 HydrophobicContact CB-CG1 4.12Å; A274-W317 PolarHBondContact O-NE1 2.93Å
275	F	98.6	Very high	96.5	Very high	26 Å²	26	26.4 Å²	26.4	11%	0.114	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	145.6	168.3	-72.6	-76.6	0	0	0	110.3	K203 L205 P206 L213 F273 H281 V282 F296	K203-F275 HydrophobicContact CB-CD2 4.16Å; K203-F275 HydrophobicContact CB-CE2 4.03Å; L205-F275 HydrophobicContact CD1-CE2 4.45Å; L205-F275 HydrophobicContact CD1-CZ 3.97Å; L205-F275 HydrophobicContact CG-CZ 3.96Å; P206-F275 HydrophobicContact CG-CB 3.9Å; P206-F275 HydrophobicContact CG-CD1 4.31Å; P206-F275 HydrophobicContact CG-CD2 4.2Å; P206-F275 HydrophobicContact CG-CG 3.89Å; L213-F275 HydrophobicContact CB-CZ 4.34Å; L213-F275 HydrophobicContact CD2-CZ 4.11Å; F273-F275 HydrophobicContact CE2-CD2 4.38Å; F273-F275 AromaticContact CE2-CE2 3.95Å; F273-F275 HydrophobicContact CE2-CE2 3.95Å; F275-H281 CarbonylContact C-O 3.5Å; F275-H281 WeakPolarHBondContact CA-O 3.5Å; F275-V282 HydrophobicContact CD1-CB 4.23Å; F275-V282 HydrophobicContact CE1-CB 4.28Å; F275-F296 AromaticContact CE1-CD2 3.76Å; F275-F296 HydrophobicContact CE1-CD2 3.76Å; F275-F296 AromaticContact CE1-CE2 3.96Å; F275-F296 HydrophobicContact CE1-CE2 3.96Å; F275-F296 HydrophobicContact CE1-CG 4.12Å; F275-F296 HydrophobicContact CE1-CZ 4.48Å; F275-F296 HydrophobicContact CZ-CD2 4.41Å; F275-F296 HydrophobicContact CZ-CE2 4.16Å
276	S	98.2	Very high	96.4	Very high	6 Å²	6	26.3 Å²	26.3	4%	0.042	17%	0.17	C	C	.	.			trans	-64.1	157.7	167.7	51.3	0	0	0	0	110.7	D278 G279 V280 H281	S276-D278 VanDerWaalsContact CB-OD1 3.25Å; S276-D278 WeakPolarHBondContact CB-OD1 2.97Å; S276-D278 PolarHBondContact O-N 3.17Å; S276-D278 PolarHBondContact OG-OD1 2.92Å; S276-G279 WeakPolarHBondContact O-CA 3.34Å; S276-G279 PolarHBondContact O-N 2.76Å; S276-V280 PolarHBondContact OG-N 3.47Å; S276-H281 PolarHBondContact N-O 2.9Å; S276-H281 WeakPolarHBondContact OG-CA 3.26Å; S276-H281 WeakPolarHBondContact OG-CB 3.43Å; S276-H281 PolarHBondContact OG-N 3.36Å; S276-H281 PolarHBondContact OG-O 2.82Å
277	P	96.5	Very high	96.7	Very high	76 Å²	76	29 Å²	29	49%	0.494	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.8	-178.6	-24.6	34.1	0	0	0	114.1	G279 W317 S318 P319	P277-G279 VanDerWaalsContact C-N 3.29Å; P277-W317 HydrophobicContact CG-CB 4.34Å; P277-S318 WeakPolarHBondContact CG-O 3.41Å; P277-P319 WeakPolarHBondContact CB-O 3.31Å; P277-P319 WeakPolarHBondContact CG-O 3.42Å
278	D	95.1	Very high	97	Very high	94 Å²	94	26.7 Å²	26.7	50%	0.503	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.1	174.6	64.4	3.4	0	0	0	113.7	S276 V280	S276-D278 VanDerWaalsContact CB-OD1 3.25Å; S276-D278 WeakPolarHBondContact CB-OD1 2.97Å; S276-D278 PolarHBondContact O-N 3.17Å; S276-D278 PolarHBondContact OG-OD1 2.92Å; D278-V280 VanDerWaalsContact C-N 3.28Å; D278-V280 HydrophobicContact CB-CG2 4.2Å; D278-V280 PolarHBondContact O-N 3.12Å; D278-V280 PolarHBondContact OD1-N 3.16Å
279	G	95.9	Very high	97.2	Very high	17 Å²	17	24.4 Å²	24.4	18%	0.175	14%	0.142	C	C	.	.	S	Bend	trans	75.9	5.4	-176.9	0	0	0	0	0	115.7	S276 P277	S276-G279 WeakPolarHBondContact O-CA 3.34Å; S276-G279 PolarHBondContact O-N 2.76Å; P277-G279 VanDerWaalsContact C-N 3.29Å
280	V	97.8	Very high	97.4	Very high	45 Å²	45	23.8 Å²	23.8	27%	0.273	14%	0.135	S	C	.	.	S	Bend	trans	-83.4	-30.8	-174.9	179.2	0	0	0	0	112.1	S276 D278 H295 F296	S276-V280 PolarHBondContact OG-N 3.47Å; D278-V280 VanDerWaalsContact C-N 3.28Å; D278-V280 HydrophobicContact CB-CG2 4.2Å; D278-V280 PolarHBondContact O-N 3.12Å; D278-V280 PolarHBondContact OD1-N 3.16Å; V280-H295 WeakPolarHBondContact CG1-NE2 3.07Å; V280-F296 WeakPolarHBondContact O-CB 3.33Å; V280-F296 PolarHBondContact O-N 2.86Å
281	H	98.6	Very high	97.5	Very high	21 Å²	21	23.6 Å²	23.6	10%	0.097	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	153.8	-174.5	-57.2	88.3	0	0	0	111.8	F275 S276 V293 F294 H295 W317 F338	F275-H281 CarbonylContact C-O 3.5Å; F275-H281 WeakPolarHBondContact CA-O 3.5Å; S276-H281 PolarHBondContact N-O 2.9Å; S276-H281 WeakPolarHBondContact OG-CA 3.26Å; S276-H281 WeakPolarHBondContact OG-CB 3.43Å; S276-H281 PolarHBondContact OG-N 3.36Å; S276-H281 PolarHBondContact OG-O 2.82Å; H281-V293 HydrophobicContact CB-CG1 4.22Å; H281-F294 CarbonylContact C-O 3.48Å; H281-F294 WeakPolarHBondContact CA-O 3.33Å; H281-F294 WeakPolarHBondContact CB-O 3.34Å; H281-H295 AromaticContact NE2-CD2 3.99Å; H281-W317 HydrophobicContact CB-CH2 3.96Å; H281-W317 HydrophobicContact CB-CZ2 3.89Å; H281-F338 AromaticContact CD2-CZ 3.61Å; H281-F338 AromaticContact CE1-CE1 3.98Å; H281-F338 AromaticContact CE1-CZ 3.78Å; H281-F338 AromaticContact CG-CZ 3.98Å; H281-F338 AromaticContact NE2-CZ 3.49Å; H281-F338 WeakPolarHBondContact NE2-CZ 3.05Å
282	V	98.6	Very high	97.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.4	170.8	62.4	0	0	0	0	109.8	L213 W263 F273 F275 V293 F294 F296	L213-V282 HydrophobicContact CD2-CG2 4.44Å; W263-V282 HydrophobicContact CH2-CG1 3.93Å; W263-V282 HydrophobicContact CZ3-CG1 3.58Å; F273-V282 HydrophobicContact CB-CG2 4.22Å; F273-V282 HydrophobicContact CD2-CG2 3.81Å; F273-V282 HydrophobicContact CG-CG2 4.41Å; F275-V282 HydrophobicContact CD1-CB 4.23Å; F275-V282 HydrophobicContact CE1-CB 4.28Å; V282-V293 WeakPolarHBondContact O-CA 3.44Å; V282-F294 HydrophobicContact CG1-CB 3.88Å; V282-F294 HydrophobicContact CG1-CD2 4.35Å; V282-F294 PolarHBondContact N-O 3.01Å; V282-F294 PolarHBondContact O-N 3.45Å; V282-F296 HydrophobicContact CB-CD2 4.47Å; V282-F296 HydrophobicContact CG1-CD2 4.09Å
283	A	98.8	Very high	97.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133	174	0	0	0	0	0	109.7	F273 A274 L291 R292 V293 V315 W317 L324	F273-A283 CarbonylContact C-O 3.58Å; F273-A283 WeakPolarHBondContact CA-O 3.24Å; F273-A283 VanDerWaalsContact CB-O 3.22Å; F273-A283 WeakPolarHBondContact CB-O 3.23Å; A274-A283 PolarHBondContact N-O 2.84Å; A274-A283 PolarHBondContact O-N 3.21Å; A283-L291 HydrophobicContact CB-CD1 4.08Å; A283-R292 CarbonylContact C-O 3.54Å; A283-R292 WeakPolarHBondContact CA-O 3.48Å; A283-V293 HydrophobicContact CB-CG2 4.15Å; A283-V315 HydrophobicContact CB-CG2 4.02Å; A283-W317 HydrophobicContact CB-CZ2 3.96Å; A283-L324 HydrophobicContact CB-CD2 3.34Å
284	C	98.7	Very high	97.5	Very high	1 Å²	1	21 Å²	21	1%	0.007	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.5	-178.8	-58	0	0	0	0	110.3	V265 L270 L291 R292 F294	V265-C284 HydrophobicContact CG1-CB 4.34Å; L270-C284 HydrophobicContact CD2-CB 4.05Å; C284-L291 CarbonylContact O-C 3.59Å; C284-L291 WeakPolarHBondContact O-CA 3.37Å; C284-R292 PolarHBondContact N-O 3.45Å; C284-R292 PolarHBondContact O-N 2.82Å; C284-F294 HydrophobicContact CB-CE2 4.48Å
285	V	98.6	Very high	97.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.3	174.2	-69.7	0	0	0	0	110.9	N271 E272 L291 L312 V315 T326	N271-V285 PolarHBondContact N-O 2.78Å; E272-V285 HydrophobicContact CB-CG2 3.93Å; E272-V285 PolarHBondContact N-O 2.92Å; E272-V285 WeakPolarHBondContact O-CG2 3.3Å; E272-V285 PolarHBondContact O-N 3.36Å; V285-L291 HydrophobicContact CG1-CB 4.2Å; V285-L291 HydrophobicContact CG1-CD1 3.77Å; V285-L312 HydrophobicContact CB-CB 3.69Å; V285-L312 HydrophobicContact CG1-CB 3.88Å; V285-L312 HydrophobicContact CG1-CD1 4.01Å; V285-V315 HydrophobicContact CG1-CB 3.85Å; V285-V315 HydrophobicContact CG1-CG1 4.27Å; V285-V315 HydrophobicContact CG1-CG2 4.41Å; V285-V315 HydrophobicContact CG2-CB 4.12Å; V285-V315 HydrophobicContact CG2-CG1 3.95Å; V285-T326 HydrophobicContact CG1-CG2 4.09Å
286	G	95.8	Very high	97.5	Very high	2 Å²	2	22.2 Å²	22.2	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	176.2	-173.9	0	0	0	0	0	114.8	G269 D288 G289 C290 L312	G269-G286 VanDerWaalsContact O-CA 3.32Å; G269-G286 WeakPolarHBondContact O-CA 3.35Å; G286-D288 PolarHBondContact O-N 2.95Å; G286-G289 PolarHBondContact O-N 2.74Å; G286-C290 PolarHBondContact N-O 2.8Å; G286-L312 PolarHBondContact O-N 2.69Å
287	Q	96.3	Very high	97.4	Very high	84 Å²	84	27.5 Å²	27.5	39%	0.393	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.5	-178.1	-162.6	61.6	27.9	0	0	113.4	G269 N271 G289 E329	G269-Q287 PolarHBondContact O-N 2.69Å; N271-Q287 PolarHBondContact ND2-OE1 2.74Å; Q287-G289 PolarHBondContact O-N 2.73Å; Q287-E329 PolarHBondContact NE2-OE1 3.42Å
288	D	94.7	Very high	97.4	Very high	34 Å²	34	25.6 Å²	25.6	18%	0.182	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-2.1	170.4	64.1	4	0	0	0	113.4	G266 E267 G286 C290 R292 K306	G266-D288 WeakPolarHBondContact CA-OD2 3.45Å; E267-D288 HydrophobicContact CB-CB 4.44Å; E267-D288 PolarHBondContact N-OD2 3.3Å; E267-D288 WeakPolarHBondContact O-CB 3.29Å; G286-D288 PolarHBondContact O-N 2.95Å; D288-C290 VanDerWaalsContact C-N 3.28Å; D288-C290 PolarHBondContact O-N 2.98Å; D288-C290 WeakPolarHBondContact OD1-CB 3.43Å; D288-C290 PolarHBondContact OD1-N 2.88Å; D288-R292 IonicContact OD1-NH1 3.72Å; D288-R292 PolarHBondContact OD1-NH1 3.2Å; D288-R292 IonicContact OD2-CZ 3.1Å; D288-R292 VanDerWaalsContact OD2-CZ 3.24Å; D288-R292 IonicContact OD2-NH1 2.78Å; D288-R292 PolarHBondContact OD2-NH1 3.31Å; D288-R292 IonicContact OD2-NH2 3.88Å; D288-R292 PolarHBondContact OD2-NH2 3.45Å; D288-K306 WeakPolarHBondContact O-CE 3.5Å
289	G	96.1	Very high	97.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	74.1	19.5	177.6	0	0	0	0	0	113.3	G286 Q287 K306 S307 G310	G286-G289 PolarHBondContact O-N 2.74Å; Q287-G289 PolarHBondContact O-N 2.73Å; G289-K306 WeakPolarHBondContact O-CA 3.43Å; G289-K306 WeakPolarHBondContact O-CD 3.25Å; G289-K306 PolarHBondContact O-NZ 2.88Å; G289-S307 WeakPolarHBondContact CA-OG 3.38Å; G289-S307 PolarHBondContact O-N 3.05Å; G289-S307 PolarHBondContact O-OG 3.47Å; G289-G310 WeakPolarHBondContact CA-O 3.42Å
290	C	97	Very high	97.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.9	178	-61.5	0	0	0	0	111.2	G286 D288 R292 M305 K306	G286-C290 PolarHBondContact N-O 2.8Å; D288-C290 VanDerWaalsContact C-N 3.28Å; D288-C290 PolarHBondContact O-N 2.98Å; D288-C290 WeakPolarHBondContact OD1-CB 3.43Å; D288-C290 PolarHBondContact OD1-N 2.88Å; C290-R292 HydrophobicContact CB-CG 4.48Å; C290-R292 VanDerWaalsContact CB-NH1 3.32Å; C290-M305 CarbonylContact C-O 3.04Å; C290-M305 VanDerWaalsContact CA-O 3.28Å; C290-M305 WeakPolarHBondContact CA-O 3.36Å; C290-K306 WeakPolarHBondContact SG-CD 3.29Å
291	L	98.5	Very high	97.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	130.8	157.3	168.5	68	0	0	0	107.1	A283 C284 V285 V293 V304 M305 L312 V315 L324 T326 W336	A283-L291 HydrophobicContact CB-CD1 4.08Å; C284-L291 CarbonylContact O-C 3.59Å; C284-L291 WeakPolarHBondContact O-CA 3.37Å; V285-L291 HydrophobicContact CG1-CB 4.2Å; V285-L291 HydrophobicContact CG1-CD1 3.77Å; L291-V293 HydrophobicContact CD1-CG2 4.32Å; L291-V293 HydrophobicContact CG-CG2 4.3Å; L291-V304 VanDerWaalsContact O-CA 3.3Å; L291-V304 WeakPolarHBondContact O-CA 3.4Å; L291-M305 HydrophobicContact CB-CB 4.17Å; L291-M305 HydrophobicContact CB-CE 3.8Å; L291-M305 HydrophobicContact CD2-CB 4.3Å; L291-M305 HydrophobicContact CD2-CE 4.06Å; L291-M305 HydrophobicContact CD2-SD 4.44Å; L291-M305 PolarHBondContact N-O 3.37Å; L291-M305 PolarHBondContact O-N 2.99Å; L291-L312 HydrophobicContact CB-CD1 3.89Å; L291-V315 HydrophobicContact CD1-CG2 3.99Å; L291-L324 HydrophobicContact CD1-CD2 4.4Å; L291-L324 HydrophobicContact CD2-CB 4.49Å; L291-T326 HydrophobicContact CB-CG2 4.42Å; L291-T326 HydrophobicContact CD1-CG2 4.2Å; L291-T326 HydrophobicContact CD2-CG2 3.97Å; L291-T326 HydrophobicContact CG-CG2 4.43Å; L291-W336 HydrophobicContact CD2-CB 4.4Å; L291-W336 HydrophobicContact CD2-CD2 4.3Å; L291-W336 HydrophobicContact CD2-CE3 4.28Å; L291-W336 HydrophobicContact CD2-CG 4.37Å
292	R	98.4	Very high	97.5	Very high	15 Å²	15	28.5 Å²	28.5	6%	0.057	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.6	172.5	-63.5	-177.8	179.8	82	-0.2	108.9	A283 C284 D288 C290 F294 L301 V304	A283-R292 CarbonylContact C-O 3.54Å; A283-R292 WeakPolarHBondContact CA-O 3.48Å; C284-R292 PolarHBondContact N-O 3.45Å; C284-R292 PolarHBondContact O-N 2.82Å; D288-R292 IonicContact OD1-NH1 3.72Å; D288-R292 PolarHBondContact OD1-NH1 3.2Å; D288-R292 IonicContact OD2-CZ 3.1Å; D288-R292 VanDerWaalsContact OD2-CZ 3.24Å; D288-R292 IonicContact OD2-NH1 2.78Å; D288-R292 PolarHBondContact OD2-NH1 3.31Å; D288-R292 IonicContact OD2-NH2 3.88Å; D288-R292 PolarHBondContact OD2-NH2 3.45Å; C290-R292 HydrophobicContact CB-CG 4.48Å; C290-R292 VanDerWaalsContact CB-NH1 3.32Å; R292-F294 HydrophobicContact CB-CD2 4.43Å; R292-F294 HydrophobicContact CB-CE2 3.57Å; R292-F294 HydrophobicContact CB-CZ 3.76Å; R292-L301 HydrophobicContact CB-CD1 3.94Å; R292-L301 HydrophobicContact CG-CD1 4.36Å; R292-V304 HydrophobicContact CG-CG2 4.38Å
293	V	98.6	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125	176.5	-176	0	0	0	0	108.4	H281 V282 A283 L291 Q302 G303 W317 L324 W336 F338	H281-V293 HydrophobicContact CB-CG1 4.22Å; V282-V293 WeakPolarHBondContact O-CA 3.44Å; A283-V293 HydrophobicContact CB-CG2 4.15Å; L291-V293 HydrophobicContact CD1-CG2 4.32Å; L291-V293 HydrophobicContact CG-CG2 4.3Å; V293-Q302 PolarHBondContact O-N 2.92Å; V293-G303 PolarHBondContact N-O 2.72Å; V293-G303 PolarHBondContact O-N 3.05Å; V293-W317 HydrophobicContact CG1-CH2 3.76Å; V293-W317 HydrophobicContact CG1-CZ2 3.82Å; V293-L324 HydrophobicContact CG2-CD1 4.15Å; V293-L324 HydrophobicContact CG2-CD2 4.44Å; V293-W336 HydrophobicContact CG2-CH2 4.18Å; V293-W336 HydrophobicContact CG2-CZ3 3.85Å; V293-F338 HydrophobicContact CG1-CD2 4.13Å; V293-F338 HydrophobicContact CG1-CE2 3.71Å
294	F	98.6	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.4	179.1	-57.4	-86.1	0	0	0	110.3	F246 W263 V265 H281 V282 C284 R292 E300 L301	F246-F294 HydrophobicContact CB-CE1 4.07Å; F246-F294 HydrophobicContact CB-CZ 4.06Å; F246-F294 AromaticContact CD1-CE1 3.68Å; F246-F294 HydrophobicContact CD1-CE1 3.68Å; F246-F294 HydrophobicContact CD1-CZ 4.37Å; F246-F294 HydrophobicContact CD2-CD1 4.43Å; F246-F294 AromaticContact CD2-CE1 3.76Å; F246-F294 HydrophobicContact CD2-CE1 3.76Å; F246-F294 HydrophobicContact CD2-CZ 4.49Å; F246-F294 AromaticContact CE1-CE1 3.98Å; F246-F294 HydrophobicContact CE1-CE1 3.98Å; F246-F294 HydrophobicContact CE2-CD1 4.38Å; F246-F294 HydrophobicContact CE2-CE1 4.07Å; F246-F294 AromaticContact CG-CE1 3.56Å; F246-F294 HydrophobicContact CG-CE1 3.56Å; F246-F294 HydrophobicContact CG-CZ 4.07Å; F246-F294 HydrophobicContact CZ-CD1 4.48Å; F246-F294 HydrophobicContact CZ-CE1 4.17Å; W263-F294 HydrophobicContact CH2-CB 3.97Å; W263-F294 HydrophobicContact CH2-CG 4.36Å; W263-F294 HydrophobicContact CZ3-CB 3.85Å; W263-F294 AromaticContact CZ3-CD2 3.93Å; W263-F294 HydrophobicContact CZ3-CD2 3.93Å; W263-F294 AromaticContact CZ3-CG 3.85Å; W263-F294 HydrophobicContact CZ3-CG 3.85Å; V265-F294 HydrophobicContact CG1-CE2 3.95Å; V265-F294 HydrophobicContact CG1-CZ 4.01Å; V265-F294 HydrophobicContact CG2-CE2 4.37Å; V265-F294 HydrophobicContact CG2-CZ 4.44Å; H281-F294 CarbonylContact C-O 3.48Å; H281-F294 WeakPolarHBondContact CA-O 3.33Å; H281-F294 WeakPolarHBondContact CB-O 3.34Å; V282-F294 HydrophobicContact CG1-CB 3.88Å; V282-F294 HydrophobicContact CG1-CD2 4.35Å; V282-F294 PolarHBondContact N-O 3.01Å; V282-F294 PolarHBondContact O-N 3.45Å; C284-F294 HydrophobicContact CB-CE2 4.48Å; R292-F294 HydrophobicContact CB-CD2 4.43Å; R292-F294 HydrophobicContact CB-CE2 3.57Å; R292-F294 HydrophobicContact CB-CZ 3.76Å; F294-E300 CarbonylContact C-O 3.59Å; F294-E300 WeakPolarHBondContact CA-O 3.37Å; F294-L301 HydrophobicContact CD1-CB 4.07Å; F294-L301 HydrophobicContact CD1-CD1 3.97Å; F294-L301 HydrophobicContact CE1-CB 3.99Å; F294-L301 HydrophobicContact CE1-CD1 3.56Å; F294-L301 HydrophobicContact CE1-CG 4.36Å; F294-L301 HydrophobicContact CZ-CD1 3.9Å
295	H	98.3	Very high	97.2	Very high	47 Å²	47	30.2 Å²	30.2	22%	0.218	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	124.4	158	-176	-52.7	0	0	0	107.8	V280 H281 D297 S298 M299 E300 Q302	V280-H295 WeakPolarHBondContact CG1-NE2 3.07Å; H281-H295 AromaticContact NE2-CD2 3.99Å; H295-D297 PolarHBondContact ND1-N 2.97Å; H295-S298 WeakPolarHBondContact CB-OG 3.11Å; H295-S298 VanDerWaalsContact CG-OG 3.32Å; H295-S298 PolarHBondContact ND1-N 3.16Å; H295-S298 PolarHBondContact ND1-OG 2.98Å; H295-M299 VanDerWaalsContact O-CA 3.27Å; H295-M299 WeakPolarHBondContact O-CA 3.39Å; H295-M299 PolarHBondContact O-N 3.45Å; H295-E300 PolarHBondContact N-O 3.48Å; H295-E300 PolarHBondContact O-N 3.04Å; H295-Q302 HydrophobicContact CB-CG 4.06Å
296	F	97.7	Very high	97.1	Very high	23 Å²	23	31 Å²	31	10%	0.101	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-50.9	-168	-174.7	-103.3	0	0	0	112.4	L205 L213 L223 W263 F275 V280 V282 M299	L205-F296 HydrophobicContact CD1-CZ 4.33Å; L205-F296 HydrophobicContact CD2-CE1 3.51Å; L205-F296 HydrophobicContact CD2-CZ 3.65Å; L205-F296 HydrophobicContact CG-CE1 4.22Å; L205-F296 HydrophobicContact CG-CZ 4.09Å; L213-F296 HydrophobicContact CD1-CE2 4.5Å; L213-F296 HydrophobicContact CD2-CE2 4.22Å; L223-F296 HydrophobicContact CD1-CZ 4.33Å; W263-F296 HydrophobicContact CH2-CD2 4.22Å; F275-F296 AromaticContact CE1-CD2 3.76Å; F275-F296 HydrophobicContact CE1-CD2 3.76Å; F275-F296 AromaticContact CE1-CE2 3.96Å; F275-F296 HydrophobicContact CE1-CE2 3.96Å; F275-F296 HydrophobicContact CE1-CG 4.12Å; F275-F296 HydrophobicContact CE1-CZ 4.48Å; F275-F296 HydrophobicContact CZ-CD2 4.41Å; F275-F296 HydrophobicContact CZ-CE2 4.16Å; V280-F296 WeakPolarHBondContact O-CB 3.33Å; V280-F296 PolarHBondContact O-N 2.86Å; V282-F296 HydrophobicContact CB-CD2 4.47Å; V282-F296 HydrophobicContact CG1-CD2 4.09Å; F296-M299 PolarHBondContact O-N 2.98Å
297	D	96.3	Very high	97.1	Very high	117 Å²	117	31 Å²	31	63%	0.626	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-44.7	-175.5	-61.3	-41.4	0	0	0	113.8	H295 M299	H295-D297 PolarHBondContact ND1-N 2.97Å; D297-M299 PolarHBondContact O-N 2.84Å
298	S	97.2	Very high	97	Very high	36 Å²	36	31.2 Å²	31.2	25%	0.252	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-18.6	176.7	71.8	0	0	0	0	112.7	R241 H295 E300	R241-S298 VanDerWaalsContact CZ-O 3.23Å; R241-S298 PolarHBondContact NE-O 3.47Å; R241-S298 PolarHBondContact NH2-O 2.92Å; R241-S298 VanDerWaalsContact NH2-O 3.07Å; H295-S298 WeakPolarHBondContact CB-OG 3.11Å; H295-S298 VanDerWaalsContact CG-OG 3.32Å; H295-S298 PolarHBondContact ND1-N 3.16Å; H295-S298 PolarHBondContact ND1-OG 2.98Å; S298-E300 VanDerWaalsContact C-N 3.27Å; S298-E300 PolarHBondContact O-N 3.04Å
299	M	97.5	Very high	97	Very high	31 Å²	31	35.6 Å²	35.6	15%	0.153	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	30.2	-179	-46	177	179.8	0	0	112.8	L240 R241 F246 V248 L261 W263 H295 F296 D297	L240-M299 HydrophobicContact CD2-CE 3.78Å; L240-M299 HydrophobicContact CD2-SD 3.46Å; L240-M299 WeakPolarHBondContact CD2-SD 3.49Å; L240-M299 HydrophobicContact CG-SD 4.27Å; R241-M299 WeakPolarHBondContact CD-O 3.31Å; F246-M299 WeakPolarHBondContact CE2-O 3.13Å; V248-M299 HydrophobicContact CB-SD 4.39Å; V248-M299 HydrophobicContact CG1-SD 3.58Å; V248-M299 VanDerWaalsContact CG1-SD 3.58Å; V248-M299 HydrophobicContact CG2-CB 4.24Å; L261-M299 HydrophobicContact CD1-CE 3.55Å; L261-M299 HydrophobicContact CD2-CE 4.48Å; W263-M299 HydrophobicContact CZ2-CB 3.95Å; W263-M299 HydrophobicContact CZ2-CG 3.89Å; H295-M299 VanDerWaalsContact O-CA 3.27Å; H295-M299 WeakPolarHBondContact O-CA 3.39Å; H295-M299 PolarHBondContact O-N 3.45Å; F296-M299 PolarHBondContact O-N 2.98Å; D297-M299 PolarHBondContact O-N 2.84Å
300	E	96.2	Very high	97	Very high	79 Å²	79	36.9 Å²	36.9	37%	0.369	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.9	-174.4	-70.5	177.2	172.1	0	0	112.1	R241 F294 H295 S298 Q302	R241-E300 IonicContact CZ-OE1 3.33Å; R241-E300 VanDerWaalsContact CZ-OE1 3.24Å; R241-E300 VanDerWaalsContact NH1-CG 3.3Å; R241-E300 IonicContact NH1-OE1 2.73Å; R241-E300 PolarHBondContact NH1-OE1 3.12Å; R241-E300 IonicContact NH2-OE1 3.53Å; R241-E300 PolarHBondContact NH2-OE1 2.9Å; F294-E300 CarbonylContact C-O 3.59Å; F294-E300 WeakPolarHBondContact CA-O 3.37Å; H295-E300 PolarHBondContact N-O 3.48Å; H295-E300 PolarHBondContact O-N 3.04Å; S298-E300 VanDerWaalsContact C-N 3.27Å; S298-E300 PolarHBondContact O-N 3.04Å; E300-Q302 PolarHBondContact O-N 2.87Å
301	L	97.6	Very high	97	Very high	49 Å²	49	36.8 Å²	36.8	26%	0.257	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	120.6	175.6	-178.4	68.4	0	0	0	109.6	F246 R292 F294 V304	F246-L301 HydrophobicContact CD1-CB 4.33Å; F246-L301 HydrophobicContact CE1-CB 3.64Å; F246-L301 HydrophobicContact CE1-CD2 4.36Å; F246-L301 HydrophobicContact CZ-CB 4.2Å; R292-L301 HydrophobicContact CB-CD1 3.94Å; R292-L301 HydrophobicContact CG-CD1 4.36Å; F294-L301 HydrophobicContact CD1-CB 4.07Å; F294-L301 HydrophobicContact CD1-CD1 3.97Å; F294-L301 HydrophobicContact CE1-CB 3.99Å; F294-L301 HydrophobicContact CE1-CD1 3.56Å; F294-L301 HydrophobicContact CE1-CG 4.36Å; F294-L301 HydrophobicContact CZ-CD1 3.9Å; L301-V304 HydrophobicContact CD1-CG2 3.9Å; L301-V304 HydrophobicContact CD2-CG2 3.65Å; L301-V304 HydrophobicContact CG-CG2 4.07Å
302	Q	97.6	Very high	97	Very high	79 Å²	79	36.8 Å²	36.8	37%	0.369	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-34.9	-180	-64.3	-62	-34.6	0	0	112.2	V293 H295 E300 F338	V293-Q302 PolarHBondContact O-N 2.92Å; H295-Q302 HydrophobicContact CB-CG 4.06Å; E300-Q302 PolarHBondContact O-N 2.87Å; Q302-F338 HydrophobicContact CB-CE2 4.03Å; Q302-F338 HydrophobicContact CB-CZ 4.49Å
303	G	95.9	Very high	97	Very high	9 Å²	9	37.4 Å²	37.4	9%	0.093	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	153.8	-177.8	0	0	0	0	0	113.5	V293	V293-G303 PolarHBondContact N-O 2.72Å; V293-G303 PolarHBondContact O-N 3.05Å
304	V	96.9	Very high	97	Very high	27 Å²	27	37.4 Å²	37.4	16%	0.164	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.7	176.4	-176.6	0	0	0	0	109.2	L291 R292 L301 L599 L609	L291-V304 VanDerWaalsContact O-CA 3.3Å; L291-V304 WeakPolarHBondContact O-CA 3.4Å; R292-V304 HydrophobicContact CG-CG2 4.38Å; L301-V304 HydrophobicContact CD1-CG2 3.9Å; L301-V304 HydrophobicContact CD2-CG2 3.65Å; L301-V304 HydrophobicContact CG-CG2 4.07Å; V304-L599 HydrophobicContact CG1-CD1 4.43Å; V304-L609 HydrophobicContact CB-CD2 4.24Å; V304-L609 VanDerWaalsContact O-CD2 3.23Å; V304-L609 WeakPolarHBondContact O-CD2 3.47Å
305	M	97.4	Very high	97	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143.5	168.8	177.6	-155.9	73.4	0	0	108.8	C290 L291 L312 T326 T334 W336 V343	C290-M305 CarbonylContact C-O 3.04Å; C290-M305 VanDerWaalsContact CA-O 3.28Å; C290-M305 WeakPolarHBondContact CA-O 3.36Å; L291-M305 HydrophobicContact CB-CB 4.17Å; L291-M305 HydrophobicContact CB-CE 3.8Å; L291-M305 HydrophobicContact CD2-CB 4.3Å; L291-M305 HydrophobicContact CD2-CE 4.06Å; L291-M305 HydrophobicContact CD2-SD 4.44Å; L291-M305 PolarHBondContact N-O 3.37Å; L291-M305 PolarHBondContact O-N 2.99Å; M305-L312 HydrophobicContact CE-CD1 3.72Å; M305-T326 HydrophobicContact CE-CG2 4.12Å; M305-T326 WeakPolarHBondContact CE-OG1 3.43Å; M305-T334 HydrophobicContact CE-CG2 4.19Å; M305-T334 HydrophobicContact SD-CG2 3.5Å; M305-T334 VanDerWaalsContact SD-CG2 3.5Å; M305-W336 HydrophobicContact CB-CG 4.34Å; M305-W336 HydrophobicContact SD-CB 3.88Å; M305-W336 HydrophobicContact SD-CG 4.1Å; M305-V343 HydrophobicContact CG-CG2 3.67Å; M305-V343 HydrophobicContact SD-CG2 3.74Å
306	K	96.6	Very high	97	Very high	17 Å²	17	36.6 Å²	36.6	7%	0.074	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.4	177.4	-178.7	72.4	-165.8	66.9	0	109.9	D288 G289 C290 V604 L609 C610	D288-K306 WeakPolarHBondContact O-CE 3.5Å; G289-K306 WeakPolarHBondContact O-CA 3.43Å; G289-K306 WeakPolarHBondContact O-CD 3.25Å; G289-K306 PolarHBondContact O-NZ 2.88Å; C290-K306 WeakPolarHBondContact SG-CD 3.29Å; K306-V604 HydrophobicContact CB-CG1 3.88Å; K306-V604 HydrophobicContact CG-CG1 4.13Å; K306-L609 PolarHBondContact N-O 2.82Å; K306-C610 HydrophobicContact CB-CB 4.08Å; K306-C610 HydrophobicContact CG-CB 4.46Å; K306-C610 WeakPolarHBondContact O-CB 3.33Å
307	S	96.5	Very high	97.1	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.014	19%	0.189	C	C	.	.			trans	-59.9	158	172	60.3	0	0	0	0	111.9	G289 F309 G310	G289-S307 WeakPolarHBondContact CA-OG 3.38Å; G289-S307 PolarHBondContact O-N 3.05Å; G289-S307 PolarHBondContact O-OG 3.47Å; S307-F309 PolarHBondContact OG-O 3.08Å; S307-G310 PolarHBondContact OG-O 2.81Å
308	Y	94.4	Very high	97.2	Very high	89 Å²	89	30.7 Å²	30.7	35%	0.349	16%	0.159	S	C	.	.	S	Bend	trans	-65.3	-44.7	179	-163.9	-95.6	0	0	0	110.9	D330 L605 M613	Y308-D330 WeakPolarHBondContact CB-OD2 3.16Å; Y308-D330 PolarHBondContact N-OD2 3.45Å; Y308-L605 HydrophobicContact CD2-CD1 3.8Å; Y308-L605 HydrophobicContact CE2-CD1 3.36Å; Y308-M613 HydrophobicContact CD2-CG 4.14Å; Y308-M613 HydrophobicContact CD2-SD 4.08Å; Y308-M613 HydrophobicContact CE1-CG 4.49Å; Y308-M613 HydrophobicContact CE2-CG 3.63Å; Y308-M613 HydrophobicContact CE2-SD 4.2Å; Y308-M613 HydrophobicContact CG-SD 4.49Å
309	F	94.3	Very high	97.1	Very high	125 Å²	125	31.1 Å²	31.1	55%	0.548	16%	0.16	S	C	.	.	S	Bend	trans	-149.8	170	160.6	88.7	-90.4	0	0	0	110.7	S307 E329 D330	S307-F309 PolarHBondContact OG-O 3.08Å; F309-E329 WeakPolarHBondContact CZ-O 3.33Å; F309-D330 HydrophobicContact CD1-CB 3.34Å; F309-D330 HydrophobicContact CE1-CB 3.36Å; F309-D330 HydrophobicContact CG-CB 4.06Å; F309-D330 HydrophobicContact CZ-CB 4.07Å; F309-D330 PolarHBondContact N-OD2 2.82Å; F309-D330 WeakPolarHBondContact O-CB 3.47Å
310	G	95.3	Very high	97	Very high	27 Å²	27	31.7 Å²	31.7	28%	0.278	16%	0.164	S	C	.	.	S	Bend	trans	68.7	-177.8	173.7	0	0	0	0	0	114.7	G289 S307	G289-G310 WeakPolarHBondContact CA-O 3.42Å; S307-G310 PolarHBondContact OG-O 2.81Å
311	G	96.6	Very high	97	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.			trans	-75.1	154.8	176.7	0	0	0	0	0	113.3	G328 E329	G311-G328 VanDerWaalsContact O-CA 3.32Å; G311-G328 WeakPolarHBondContact O-CA 3.46Å; G311-E329 PolarHBondContact N-OE2 3.39Å; G311-E329 PolarHBondContact O-N 2.95Å
312	L	98.5	Very high	97	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.1	166.5	-70.2	178.6	0	0	0	108.4	N271 V285 G286 L291 M305 T326	N271-L312 PolarHBondContact ND2-O 3.11Å; V285-L312 HydrophobicContact CB-CB 3.69Å; V285-L312 HydrophobicContact CG1-CB 3.88Å; V285-L312 HydrophobicContact CG1-CD1 4.01Å; G286-L312 PolarHBondContact O-N 2.69Å; L291-L312 HydrophobicContact CB-CD1 3.89Å; M305-L312 HydrophobicContact CE-CD1 3.72Å; L312-T326 HydrophobicContact CD1-CG2 4.47Å
313	L	98.6	Very high	97	Very high	27 Å²	27	27.7 Å²	27.7	14%	0.141	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-32.8	-168.9	-60.6	-179.8	0	0	0	112.9	G327 E329 W353 V354	L313-G327 PolarHBondContact N-O 3.33Å; L313-E329 HydrophobicContact CD1-CG 4.18Å; L313-E329 HydrophobicContact CD2-CG 4.06Å; L313-E329 HydrophobicContact CG-CG 4.18Å; L313-W353 HydrophobicContact CD1-CB 3.7Å; L313-W353 HydrophobicContact CD1-CD2 4.33Å; L313-W353 HydrophobicContact CD1-CE3 3.97Å; L313-W353 HydrophobicContact CD1-CG 4.26Å; L313-V354 WeakPolarHBondContact CB-O 3.46Å
314	C	98.8	Very high	97.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	156.1	-175.6	53.9	0	0	0	0	113.1	E272 T326 G327 V354 N355 V357	E272-C314 WeakPolarHBondContact OE2-CA 3.33Å; E272-C314 WeakPolarHBondContact OE2-CB 3.06Å; C314-T326 VanDerWaalsContact O-CA 3.26Å; C314-T326 WeakPolarHBondContact O-CA 3.37Å; C314-G327 PolarHBondContact N-O 3.38Å; C314-G327 PolarHBondContact O-N 2.83Å; C314-G327 VanDerWaalsContact O-N 3.12Å; C314-G327 VanDerWaalsContact SG-CA 3.59Å; C314-V354 PolarHBondContact SG-O 3.21Å; C314-N355 WeakPolarHBondContact CB-O 3.23Å; C314-V357 HydrophobicContact CB-CG2 4.25Å
315	V	98.9	Very high	97.2	Very high	6 Å²	6	26 Å²	26	4%	0.036	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	141.5	-179.1	62.2	0	0	0	0	112.2	E272 A274 A283 V285 L291 L324 A325 T326	E272-V315 HydrophobicContact CG-CG1 4.44Å; E272-V315 PolarHBondContact OE2-N 3.2Å; A274-V315 HydrophobicContact CB-CG1 4.12Å; A283-V315 HydrophobicContact CB-CG2 4.02Å; V285-V315 HydrophobicContact CG1-CB 3.85Å; V285-V315 HydrophobicContact CG1-CG1 4.27Å; V285-V315 HydrophobicContact CG1-CG2 4.41Å; V285-V315 HydrophobicContact CG2-CB 4.12Å; V285-V315 HydrophobicContact CG2-CG1 3.95Å; L291-V315 HydrophobicContact CD1-CG2 3.99Å; V315-L324 HydrophobicContact CG2-CD2 3.66Å; V315-A325 CarbonylContact C-O 3.45Å; V315-A325 WeakPolarHBondContact CA-O 3.26Å; V315-T326 HydrophobicContact CB-CG2 4.3Å; V315-T326 HydrophobicContact CG2-CG2 4.02Å
316	S	98.8	Very high	97.3	Very high	24 Å²	24	26 Å²	26	17%	0.168	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	141.1	174.4	-174.3	0	0	0	0	111.1	L324 A325 V357 F359	S316-L324 CarbonylContact O-C 3.56Å; S316-L324 WeakPolarHBondContact O-CA 3.49Å; S316-A325 PolarHBondContact N-O 2.89Å; S316-A325 PolarHBondContact O-N 3.3Å; S316-V357 WeakPolarHBondContact CB-O 3.26Å; S316-F359 PolarHBondContact OG-N 2.81Å
317	W	98.8	Very high	97.4	Very high	17 Å²	17	25.1 Å²	25.1	6%	0.064	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	146.8	173.5	-71.5	90.1	0	0	0	111	A274 P277 H281 A283 V293 G321 L324 F338 F359	A274-W317 PolarHBondContact O-NE1 2.93Å; P277-W317 HydrophobicContact CG-CB 4.34Å; H281-W317 HydrophobicContact CB-CH2 3.96Å; H281-W317 HydrophobicContact CB-CZ2 3.89Å; A283-W317 HydrophobicContact CB-CZ2 3.96Å; V293-W317 HydrophobicContact CG1-CH2 3.76Å; V293-W317 HydrophobicContact CG1-CZ2 3.82Å; W317-G321 WeakPolarHBondContact CZ3-O 3.36Å; W317-L324 HydrophobicContact CD2-CD1 4.22Å; W317-L324 HydrophobicContact CD2-CD2 3.72Å; W317-L324 HydrophobicContact CD2-CG 3.78Å; W317-L324 HydrophobicContact CE3-CD1 3.8Å; W317-L324 HydrophobicContact CE3-CD2 4.17Å; W317-L324 HydrophobicContact CE3-CG 3.75Å; W317-L324 HydrophobicContact CG-CD2 4.15Å; W317-L324 HydrophobicContact CG-CG 4.34Å; W317-L324 HydrophobicContact CH2-CD1 3.79Å; W317-L324 HydrophobicContact CH2-CD2 4.37Å; W317-L324 HydrophobicContact CH2-CG 4.38Å; W317-L324 HydrophobicContact CZ2-CD1 4.17Å; W317-L324 HydrophobicContact CZ2-CD2 3.91Å; W317-L324 HydrophobicContact CZ2-CG 4.38Å; W317-L324 HydrophobicContact CZ3-CD1 3.59Å; W317-L324 HydrophobicContact CZ3-CD2 4.48Å; W317-L324 HydrophobicContact CZ3-CG 4.07Å; W317-F338 HydrophobicContact CH2-CD2 4.1Å; W317-F338 HydrophobicContact CH2-CE2 4.33Å; W317-F338 HydrophobicContact CH2-CG 4.28Å; W317-F338 HydrophobicContact CZ3-CB 4.25Å; W317-F338 HydrophobicContact CZ3-CD1 4.37Å; W317-F338 HydrophobicContact CZ3-CD2 4.34Å; W317-F338 HydrophobicContact CZ3-CG 4.07Å; W317-F359 WeakPolarHBondContact O-CD2 3.36Å
318	S	98.1	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.			trans	-63.2	154.5	164.4	62.9	0	0	0	0	110.5	P277 D320 G321 K322 Y323	P277-S318 WeakPolarHBondContact CG-O 3.41Å; S318-D320 WeakPolarHBondContact CB-OD1 3.17Å; S318-D320 PolarHBondContact O-N 2.65Å; S318-D320 VanDerWaalsContact O-N 3.13Å; S318-D320 PolarHBondContact OG-OD1 2.96Å; S318-G321 PolarHBondContact O-N 2.67Å; S318-G321 PolarHBondContact OG-N 2.76Å; S318-K322 PolarHBondContact OG-N 3.33Å; S318-K322 VanDerWaalsContact OG-N 3.12Å; S318-Y323 PolarHBondContact N-O 2.92Å; S318-Y323 PolarHBondContact OG-N 3.31Å; S318-Y323 PolarHBondContact OG-O 2.98Å
319	P	96.3	Very high	97.7	Very high	44 Å²	44	21.9 Å²	21.9	29%	0.286	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27	-176.2	-24.6	35	0	0	0	114.2	P277 F359 P361	P277-P319 WeakPolarHBondContact CB-O 3.31Å; P277-P319 WeakPolarHBondContact CG-O 3.42Å; P319-F359 HydrophobicContact CG-CB 4.4Å; P319-P361 HydrophobicContact CB-CB 4.29Å; P319-P361 HydrophobicContact CG-CB 3.94Å
320	D	95.1	Very high	97.8	Very high	44 Å²	44	16.5 Å²	16.5	24%	0.235	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-1.2	177	64.5	-4.4	0	0	0	114	S318 K322 L366 Y419	S318-D320 WeakPolarHBondContact CB-OD1 3.17Å; S318-D320 PolarHBondContact O-N 2.65Å; S318-D320 VanDerWaalsContact O-N 3.13Å; S318-D320 PolarHBondContact OG-OD1 2.96Å; D320-K322 HydrophobicContact CB-CG 4.36Å; D320-K322 PolarHBondContact O-N 2.73Å; D320-K322 PolarHBondContact OD1-N 3.27Å; D320-K322 WeakPolarHBondContact OD2-CD 3.31Å; D320-K322 WeakPolarHBondContact OD2-CG 3.34Å; D320-L366 HydrophobicContact CB-CD1 3.95Å; D320-L366 HydrophobicContact CB-CD2 4.42Å; D320-Y419 WeakPolarHBondContact OD2-CE1 3.34Å; D320-Y419 PolarHBondContact OD2-OH 3.25Å
321	G	96.7	Very high	98	Very high	13 Å²	13	17.2 Å²	17.2	13%	0.134	9%	0.092	C	C	.	.	S	Bend	trans	71.6	7.2	-178.8	0	0	0	0	0	115.6	W317 S318	W317-G321 WeakPolarHBondContact CZ3-O 3.36Å; S318-G321 PolarHBondContact O-N 2.67Å; S318-G321 PolarHBondContact OG-N 2.76Å
322	K	96.8	Very high	98.1	Very high	97 Å²	97	17.5 Å²	17.5	42%	0.422	9%	0.094	S	C	.	.	S	Bend	trans	-77.3	-28.3	-178.5	-64.7	-175.3	-169.7	173.1	0	113.3	S318 D320 F338	S318-K322 PolarHBondContact OG-N 3.33Å; S318-K322 VanDerWaalsContact OG-N 3.12Å; D320-K322 HydrophobicContact CB-CG 4.36Å; D320-K322 PolarHBondContact O-N 2.73Å; D320-K322 PolarHBondContact OD1-N 3.27Å; D320-K322 WeakPolarHBondContact OD2-CD 3.31Å; D320-K322 WeakPolarHBondContact OD2-CG 3.34Å; K322-F338 WeakPolarHBondContact O-CB 3.46Å; K322-F338 PolarHBondContact O-N 3.2Å
323	Y	98.3	Very high	98.1	Very high	12 Å²	12	17.5 Å²	17.5	5%	0.047	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.3	-174.8	-57.9	-80.5	0	0	0	112.2	S318 V335 W336 V344 Y419 L435 L440	S318-Y323 PolarHBondContact N-O 2.92Å; S318-Y323 PolarHBondContact OG-N 3.31Å; S318-Y323 PolarHBondContact OG-O 2.98Å; Y323-V335 HydrophobicContact CD1-CG1 4.41Å; Y323-W336 CarbonylContact C-O 3.5Å; Y323-W336 WeakPolarHBondContact CA-O 3.42Å; Y323-V344 HydrophobicContact CD1-CG2 4.3Å; Y323-V344 HydrophobicContact CE1-CG2 4.41Å; Y323-Y419 HydrophobicContact CD2-CD2 4.37Å; Y323-Y419 HydrophobicContact CD2-CE1 4.19Å; Y323-Y419 AromaticContact CD2-CE2 3.79Å; Y323-Y419 HydrophobicContact CD2-CE2 3.79Å; Y323-Y419 AromaticContact CD2-CZ 3.71Å; Y323-Y419 HydrophobicContact CE2-CD2 4.36Å; Y323-Y419 AromaticContact CE2-CE2 3.5Å; Y323-Y419 HydrophobicContact CE2-CE2 3.5Å; Y323-Y419 VanDerWaalsContact CE2-CE2 3.5Å; Y323-Y419 AromaticContact CE2-CZ 3.6Å; Y323-Y419 WeakPolarHBondContact CE2-OH 3.49Å; Y323-L435 HydrophobicContact CG-CD2 4.46Å; Y323-L440 HydrophobicContact CD1-CD2 4.3Å; Y323-L440 HydrophobicContact CE1-CD2 3.52Å; Y323-L440 HydrophobicContact CE2-CD1 4.35Å; Y323-L440 HydrophobicContact CE2-CD2 4.13Å; Y323-L440 VanDerWaalsContact CZ-CD2 3.42Å; Y323-L440 WeakPolarHBondContact OH-CD2 3.41Å
324	L	98.8	Very high	98.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.9	165.9	-68.4	107.4	0	0	0	110.4	A283 L291 V293 V315 S316 W317 V335 W336 F338	A283-L324 HydrophobicContact CB-CD2 3.34Å; L291-L324 HydrophobicContact CD1-CD2 4.4Å; L291-L324 HydrophobicContact CD2-CB 4.49Å; V293-L324 HydrophobicContact CG2-CD1 4.15Å; V293-L324 HydrophobicContact CG2-CD2 4.44Å; V315-L324 HydrophobicContact CG2-CD2 3.66Å; S316-L324 CarbonylContact O-C 3.56Å; S316-L324 WeakPolarHBondContact O-CA 3.49Å; W317-L324 HydrophobicContact CD2-CD1 4.22Å; W317-L324 HydrophobicContact CD2-CD2 3.72Å; W317-L324 HydrophobicContact CD2-CG 3.78Å; W317-L324 HydrophobicContact CE3-CD1 3.8Å; W317-L324 HydrophobicContact CE3-CD2 4.17Å; W317-L324 HydrophobicContact CE3-CG 3.75Å; W317-L324 HydrophobicContact CG-CD2 4.15Å; W317-L324 HydrophobicContact CG-CG 4.34Å; W317-L324 HydrophobicContact CH2-CD1 3.79Å; W317-L324 HydrophobicContact CH2-CD2 4.37Å; W317-L324 HydrophobicContact CH2-CG 4.38Å; W317-L324 HydrophobicContact CZ2-CD1 4.17Å; W317-L324 HydrophobicContact CZ2-CD2 3.91Å; W317-L324 HydrophobicContact CZ2-CG 4.38Å; W317-L324 HydrophobicContact CZ3-CD1 3.59Å; W317-L324 HydrophobicContact CZ3-CD2 4.48Å; W317-L324 HydrophobicContact CZ3-CG 4.07Å; L324-V335 CarbonylContact O-C 3.59Å; L324-V335 WeakPolarHBondContact O-CA 3.4Å; L324-W336 HydrophobicContact CD1-CE3 3.4Å; L324-W336 HydrophobicContact CD1-CZ3 3.49Å; L324-W336 VanDerWaalsContact CD1-CZ3 3.49Å; L324-W336 PolarHBondContact N-O 2.84Å; L324-W336 PolarHBondContact O-N 2.94Å; L324-F338 HydrophobicContact CD1-CB 4.41Å
325	A	98.8	Very high	98.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.5	165.4	0	0	0	0	0	108.9	V315 S316 T334 V357 F359 F421	V315-A325 CarbonylContact C-O 3.45Å; V315-A325 WeakPolarHBondContact CA-O 3.26Å; S316-A325 PolarHBondContact N-O 2.89Å; S316-A325 PolarHBondContact O-N 3.3Å; A325-T334 CarbonylContact C-O 3.59Å; A325-T334 WeakPolarHBondContact CA-O 3.13Å; A325-V357 HydrophobicContact CB-CB 4.45Å; A325-V357 HydrophobicContact CB-CG2 4.42Å; A325-V357 WeakPolarHBondContact O-CG2 3.37Å; A325-F359 HydrophobicContact CB-CD2 4.46Å; A325-F359 HydrophobicContact CB-CE2 3.64Å; A325-F359 HydrophobicContact CB-CZ 4.14Å; A325-F421 HydrophobicContact CB-CD2 4.16Å; A325-F421 HydrophobicContact CB-CE2 4.35Å
326	T	98.9	Very high	98.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.4	174.1	63.1	0	0	0	0	111	V285 L291 M305 L312 C314 V315 V333 T334	V285-T326 HydrophobicContact CG1-CG2 4.09Å; L291-T326 HydrophobicContact CB-CG2 4.42Å; L291-T326 HydrophobicContact CD1-CG2 4.2Å; L291-T326 HydrophobicContact CD2-CG2 3.97Å; L291-T326 HydrophobicContact CG-CG2 4.43Å; M305-T326 HydrophobicContact CE-CG2 4.12Å; M305-T326 WeakPolarHBondContact CE-OG1 3.43Å; L312-T326 HydrophobicContact CD1-CG2 4.47Å; C314-T326 VanDerWaalsContact O-CA 3.26Å; C314-T326 WeakPolarHBondContact O-CA 3.37Å; V315-T326 HydrophobicContact CB-CG2 4.3Å; V315-T326 HydrophobicContact CG2-CG2 4.02Å; T326-V333 CarbonylContact O-C 3.57Å; T326-V333 VanDerWaalsContact O-CA 3.29Å; T326-V333 WeakPolarHBondContact O-CA 3.41Å; T326-T334 PolarHBondContact N-O 2.93Å; T326-T334 PolarHBondContact O-N 3.42Å
327	G	98.8	Very high	98	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.6	170.6	0	0	0	0	0	111.7	L313 C314	L313-G327 PolarHBondContact N-O 3.33Å; C314-G327 PolarHBondContact N-O 3.38Å; C314-G327 PolarHBondContact O-N 2.83Å; C314-G327 VanDerWaalsContact O-N 3.12Å; C314-G327 VanDerWaalsContact SG-CA 3.59Å
328	G	97.9	Very high	97.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	-178.8	-172.6	0	0	0	0	0	116.1	G311 D330 L332 V354	G311-G328 VanDerWaalsContact O-CA 3.32Å; G311-G328 WeakPolarHBondContact O-CA 3.46Å; G328-D330 PolarHBondContact O-N 3.12Å; G328-L332 PolarHBondContact N-O 2.79Å; G328-V354 PolarHBondContact O-N 2.78Å; G328-V354 VanDerWaalsContact O-N 3.11Å
329	E	98.6	Very high	97.8	Very high	23 Å²	23	21 Å²	21	11%	0.107	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-5	170.8	-63.7	-179.4	162.8	0	0	113.1	Q287 F309 G311 L313 D331 W353	Q287-E329 PolarHBondContact NE2-OE1 3.42Å; F309-E329 WeakPolarHBondContact CZ-O 3.33Å; G311-E329 PolarHBondContact N-OE2 3.39Å; G311-E329 PolarHBondContact O-N 2.95Å; L313-E329 HydrophobicContact CD1-CG 4.18Å; L313-E329 HydrophobicContact CD2-CG 4.06Å; L313-E329 HydrophobicContact CG-CG 4.18Å; E329-D331 VanDerWaalsContact C-N 3.31Å; E329-W353 VanDerWaalsContact CA-CD1 3.48Å; E329-W353 HydrophobicContact CB-CD2 4.18Å; E329-W353 HydrophobicContact CB-CG 4.3Å; E329-W353 HydrophobicContact CB-CZ2 4.36Å; E329-W353 HydrophobicContact CG-CD2 3.84Å; E329-W353 HydrophobicContact CG-CE3 4.01Å; E329-W353 HydrophobicContact CG-CG 4.32Å; E329-W353 HydrophobicContact CG-CH2 4.29Å; E329-W353 HydrophobicContact CG-CZ2 4.07Å; E329-W353 HydrophobicContact CG-CZ3 4.25Å; E329-W353 VanDerWaalsContact O-CD1 3.31Å; E329-W353 PolarHBondContact O-NE1 3.13Å
330	D	97.4	Very high	97.7	Very high	11 Å²	11	23 Å²	23	6%	0.059	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	9.3	175.2	57.8	2.4	0	0	0	113.9	Y308 F309 G328 L332	Y308-D330 WeakPolarHBondContact CB-OD2 3.16Å; Y308-D330 PolarHBondContact N-OD2 3.45Å; F309-D330 HydrophobicContact CD1-CB 3.34Å; F309-D330 HydrophobicContact CE1-CB 3.36Å; F309-D330 HydrophobicContact CG-CB 4.06Å; F309-D330 HydrophobicContact CZ-CB 4.07Å; F309-D330 PolarHBondContact N-OD2 2.82Å; F309-D330 WeakPolarHBondContact O-CB 3.47Å; G328-D330 PolarHBondContact O-N 3.12Å; D330-L332 WeakPolarHBondContact O-CG 3.46Å; D330-L332 PolarHBondContact O-N 3.17Å; D330-L332 VanDerWaalsContact O-N 3.12Å; D330-L332 PolarHBondContact OD1-N 3.47Å
331	D	98.3	Very high	97.8	Very high	42 Å²	42	23.6 Å²	23.6	23%	0.225	14%	0.135	C	C	.	.	S	Bend	trans	62.8	9	-178.5	-52.5	-14	0	0	0	113.8	E329 S352 W353	E329-D331 VanDerWaalsContact C-N 3.31Å; D331-S352 VanDerWaalsContact CG-C 3.47Å; D331-S352 VanDerWaalsContact CG-CA 3.5Å; D331-S352 WeakPolarHBondContact OD1-CA 3.21Å; D331-S352 PolarHBondContact OD2-N 2.83Å; D331-W353 PolarHBondContact OD1-N 2.86Å
332	L	98.4	Very high	97.7	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.037	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	149.9	-178.3	-60.7	177.1	0	0	0	111.4	G328 D330 G347 H348 M613	G328-L332 PolarHBondContact N-O 2.79Å; D330-L332 WeakPolarHBondContact O-CG 3.46Å; D330-L332 PolarHBondContact O-N 3.17Å; D330-L332 VanDerWaalsContact O-N 3.12Å; D330-L332 PolarHBondContact OD1-N 3.47Å; L332-G347 WeakPolarHBondContact CA-O 3.39Å; L332-G347 WeakPolarHBondContact CD2-O 3.28Å; L332-H348 HydrophobicContact CD2-CB 3.97Å; L332-H348 VanDerWaalsContact CD2-ND1 3.35Å; L332-H348 WeakPolarHBondContact CD2-ND1 3.5Å; L332-M613 HydrophobicContact CD1-CE 4.03Å; L332-M613 HydrophobicContact CD1-SD 4.02Å; L332-M613 HydrophobicContact CD2-CE 4.27Å
333	V	98.7	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.7	153	-62.9	0	0	0	0	108.5	T326 R346 G347 V354 V357 F421 W433	T326-V333 CarbonylContact O-C 3.57Å; T326-V333 VanDerWaalsContact O-CA 3.29Å; T326-V333 WeakPolarHBondContact O-CA 3.41Å; V333-R346 CarbonylContact O-C 3.53Å; V333-R346 VanDerWaalsContact O-CA 3.27Å; V333-R346 WeakPolarHBondContact O-CA 3.35Å; V333-G347 PolarHBondContact N-O 3.4Å; V333-G347 VanDerWaalsContact N-O 3.1Å; V333-G347 PolarHBondContact O-N 2.82Å; V333-V354 HydrophobicContact CG1-CG1 4.2Å; V333-V354 HydrophobicContact CG1-CG2 4.44Å; V333-V357 HydrophobicContact CG1-CG1 4.06Å; V333-F421 HydrophobicContact CB-CE2 4.26Å; V333-F421 HydrophobicContact CG2-CE2 4.06Å; V333-F421 HydrophobicContact CG2-CZ 4.31Å; V333-W433 HydrophobicContact CG1-CZ2 4.18Å; V333-W433 HydrophobicContact CG2-CD2 4.03Å; V333-W433 HydrophobicContact CG2-CE3 4.26Å; V333-W433 HydrophobicContact CG2-CH2 3.96Å; V333-W433 HydrophobicContact CG2-CZ2 3.7Å; V333-W433 HydrophobicContact CG2-CZ3 4.22Å
334	T	98.8	Very high	97.6	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.5	176	-59.1	0	0	0	0	109.1	M305 A325 T326 V343 R346	M305-T334 HydrophobicContact CE-CG2 4.19Å; M305-T334 HydrophobicContact SD-CG2 3.5Å; M305-T334 VanDerWaalsContact SD-CG2 3.5Å; A325-T334 CarbonylContact C-O 3.59Å; A325-T334 WeakPolarHBondContact CA-O 3.13Å; T326-T334 PolarHBondContact N-O 2.93Å; T326-T334 PolarHBondContact O-N 3.42Å; T334-V343 HydrophobicContact CG2-CB 4.47Å; T334-V343 HydrophobicContact CG2-CG1 3.64Å; T334-V343 HydrophobicContact CG2-CG2 4.05Å; T334-R346 HydrophobicContact CG2-CG 4.12Å
335	V	98.6	Very high	97.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.3	174.9	-172.1	0	0	0	0	108.7	Y323 L324 V344 A345 F421 L435 L619	Y323-V335 HydrophobicContact CD1-CG1 4.41Å; L324-V335 CarbonylContact O-C 3.59Å; L324-V335 WeakPolarHBondContact O-CA 3.4Å; V335-V344 HydrophobicContact CB-CG2 3.85Å; V335-V344 HydrophobicContact CG1-CG2 3.54Å; V335-V344 WeakPolarHBondContact O-CG2 3.37Å; V335-V344 PolarHBondContact O-N 3.35Å; V335-A345 HydrophobicContact CB-CB 4.38Å; V335-A345 PolarHBondContact N-O 3.08Å; V335-A345 PolarHBondContact O-N 2.63Å; V335-F421 HydrophobicContact CG2-CE1 4.01Å; V335-F421 HydrophobicContact CG2-CZ 3.79Å; V335-L435 HydrophobicContact CG1-CD2 3.79Å; V335-L619 HydrophobicContact CG2-CD1 4.16Å
336	W	98.6	Very high	97.5	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.5	-177.1	-176.1	87.8	0	0	0	110.2	L291 V293 M305 Y323 L324 F338 S341 R342	L291-W336 HydrophobicContact CD2-CB 4.4Å; L291-W336 HydrophobicContact CD2-CD2 4.3Å; L291-W336 HydrophobicContact CD2-CE3 4.28Å; L291-W336 HydrophobicContact CD2-CG 4.37Å; V293-W336 HydrophobicContact CG2-CH2 4.18Å; V293-W336 HydrophobicContact CG2-CZ3 3.85Å; M305-W336 HydrophobicContact CB-CG 4.34Å; M305-W336 HydrophobicContact SD-CB 3.88Å; M305-W336 HydrophobicContact SD-CG 4.1Å; Y323-W336 CarbonylContact C-O 3.5Å; Y323-W336 WeakPolarHBondContact CA-O 3.42Å; L324-W336 HydrophobicContact CD1-CE3 3.4Å; L324-W336 HydrophobicContact CD1-CZ3 3.49Å; L324-W336 VanDerWaalsContact CD1-CZ3 3.49Å; L324-W336 PolarHBondContact N-O 2.84Å; L324-W336 PolarHBondContact O-N 2.94Å; W336-F338 AromaticContact CH2-CD2 3.92Å; W336-F338 HydrophobicContact CH2-CD2 3.92Å; W336-F338 VanDerWaalsContact CZ3-CA 3.45Å; W336-F338 HydrophobicContact CZ3-CB 3.95Å; W336-F338 AromaticContact CZ3-CD2 3.71Å; W336-F338 HydrophobicContact CZ3-CD2 3.71Å; W336-F338 HydrophobicContact CZ3-CG 4.33Å; W336-S341 VanDerWaalsContact CZ2-CA 3.44Å; W336-R342 WeakPolarHBondContact CA-O 3.39Å; W336-R342 VanDerWaalsContact CD1-O 3.25Å
337	S	97.4	Very high	97.5	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.028	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.8	176.6	171.8	0	0	0	0	109.8	E340 S341 R342	S337-E340 WeakPolarHBondContact OG-CB 3.38Å; S337-E340 WeakPolarHBondContact OG-CG 3.19Å; S337-E340 PolarHBondContact OG-N 3.24Å; S337-S341 VanDerWaalsContact O-CA 3.31Å; S337-S341 WeakPolarHBondContact O-CA 3.07Å; S337-S341 PolarHBondContact O-N 2.82Å; S337-R342 PolarHBondContact N-O 3.09Å; S337-R342 PolarHBondContact O-N 2.95Å
338	F	97.5	Very high	97.3	Very high	47 Å²	47	29.7 Å²	29.7	21%	0.206	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-47.5	178.7	179.5	-120.9	0	0	0	111.5	H281 V293 Q302 W317 K322 L324 W336 E340 S341	H281-F338 AromaticContact CD2-CZ 3.61Å; H281-F338 AromaticContact CE1-CE1 3.98Å; H281-F338 AromaticContact CE1-CZ 3.78Å; H281-F338 AromaticContact CG-CZ 3.98Å; H281-F338 AromaticContact NE2-CZ 3.49Å; H281-F338 WeakPolarHBondContact NE2-CZ 3.05Å; V293-F338 HydrophobicContact CG1-CD2 4.13Å; V293-F338 HydrophobicContact CG1-CE2 3.71Å; Q302-F338 HydrophobicContact CB-CE2 4.03Å; Q302-F338 HydrophobicContact CB-CZ 4.49Å; W317-F338 HydrophobicContact CH2-CD2 4.1Å; W317-F338 HydrophobicContact CH2-CE2 4.33Å; W317-F338 HydrophobicContact CH2-CG 4.28Å; W317-F338 HydrophobicContact CZ3-CB 4.25Å; W317-F338 HydrophobicContact CZ3-CD1 4.37Å; W317-F338 HydrophobicContact CZ3-CD2 4.34Å; W317-F338 HydrophobicContact CZ3-CG 4.07Å; K322-F338 WeakPolarHBondContact O-CB 3.46Å; K322-F338 PolarHBondContact O-N 3.2Å; L324-F338 HydrophobicContact CD1-CB 4.41Å; W336-F338 AromaticContact CH2-CD2 3.92Å; W336-F338 HydrophobicContact CH2-CD2 3.92Å; W336-F338 VanDerWaalsContact CZ3-CA 3.45Å; W336-F338 HydrophobicContact CZ3-CB 3.95Å; W336-F338 AromaticContact CZ3-CD2 3.71Å; W336-F338 HydrophobicContact CZ3-CD2 3.71Å; W336-F338 HydrophobicContact CZ3-CG 4.33Å; F338-E340 VanDerWaalsContact C-N 3.33Å; F338-E340 PolarHBondContact O-N 3.11Å; F338-S341 PolarHBondContact O-N 2.53Å; F338-S341 PolarHBondContact O-OG 3.46Å
339	A	96	Very high	97.2	Very high	92 Å²	92	30.5 Å²	30.5	76%	0.76	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-37.5	-179.2	0	0	0	0	0	112.9
340	E	94.3	Very high	97.2	Very high	86 Å²	86	29.6 Å²	29.6	40%	0.402	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-9.1	-177.8	-57.6	-179.3	144.5	0	0	113.2	S337 F338 R342	S337-E340 WeakPolarHBondContact OG-CB 3.38Å; S337-E340 WeakPolarHBondContact OG-CG 3.19Å; S337-E340 PolarHBondContact OG-N 3.24Å; F338-E340 VanDerWaalsContact C-N 3.33Å; F338-E340 PolarHBondContact O-N 3.11Å; E340-R342 VanDerWaalsContact C-N 3.27Å; E340-R342 HydrophobicContact CB-CG 3.86Å; E340-R342 PolarHBondContact O-N 2.85Å; E340-R342 IonicContact OE1-CZ 3.45Å; E340-R342 IonicContact OE1-NH2 3.64Å; E340-R342 PolarHBondContact OE1-NH2 2.6Å; E340-R342 IonicContact OE2-CZ 3.94Å; E340-R342 IonicContact OE2-NE 3.9Å; E340-R342 PolarHBondContact OE2-NE 2.66Å; E340-R342 IonicContact OE2-NH2 2.9Å; E340-R342 PolarHBondContact OE2-NH2 2.63Å
341	S	96.1	Very high	97.1	Very high	57 Å²	57	35.9 Å²	35.9	40%	0.399	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	42.7	-176.4	-68.3	0	0	0	0	114.1	W336 S337 F338	W336-S341 VanDerWaalsContact CZ2-CA 3.44Å; S337-S341 VanDerWaalsContact O-CA 3.31Å; S337-S341 WeakPolarHBondContact O-CA 3.07Å; S337-S341 PolarHBondContact O-N 2.82Å; F338-S341 PolarHBondContact O-N 2.53Å; F338-S341 PolarHBondContact O-OG 3.46Å
342	R	95	Very high	97.1	Very high	117 Å²	117	35.4 Å²	35.4	44%	0.442	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157.8	-178	71.8	179.4	179.1	-176.2	-3.9	113.3	W336 S337 E340 V344	W336-R342 WeakPolarHBondContact CA-O 3.39Å; W336-R342 VanDerWaalsContact CD1-O 3.25Å; S337-R342 PolarHBondContact N-O 3.09Å; S337-R342 PolarHBondContact O-N 2.95Å; E340-R342 VanDerWaalsContact C-N 3.27Å; E340-R342 HydrophobicContact CB-CG 3.86Å; E340-R342 PolarHBondContact O-N 2.85Å; E340-R342 IonicContact OE1-CZ 3.45Å; E340-R342 IonicContact OE1-NH2 3.64Å; E340-R342 PolarHBondContact OE1-NH2 2.6Å; E340-R342 IonicContact OE2-CZ 3.94Å; E340-R342 IonicContact OE2-NE 3.9Å; E340-R342 PolarHBondContact OE2-NE 2.66Å; E340-R342 IonicContact OE2-NH2 2.9Å; E340-R342 PolarHBondContact OE2-NH2 2.63Å; R342-V344 HydrophobicContact CG-CG1 4.35Å; R342-V344 PolarHBondContact O-N 3.1Å
343	V	97.6	Very high	97.1	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.9	168.4	-179.2	0	0	0	0	109.1	M305 T334 R346 P611 V616	M305-V343 HydrophobicContact CG-CG2 3.67Å; M305-V343 HydrophobicContact SD-CG2 3.74Å; T334-V343 HydrophobicContact CG2-CB 4.47Å; T334-V343 HydrophobicContact CG2-CG1 3.64Å; T334-V343 HydrophobicContact CG2-CG2 4.05Å; V343-R346 HydrophobicContact CG1-CG 4.28Å; V343-P611 HydrophobicContact CB-CG 4.1Å; V343-P611 HydrophobicContact CG2-CG 4.37Å; V343-V616 HydrophobicContact CB-CG1 4.29Å; V343-V616 HydrophobicContact CG1-CB 4.46Å; V343-V616 HydrophobicContact CG1-CG1 4.01Å; V343-V616 HydrophobicContact CG1-CG2 4.39Å
344	V	96.3	Very high	97.1	Very high	11 Å²	11	39.9 Å²	39.9	7%	0.067	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-26.9	178.6	-63.8	0	0	0	0	112.8	Y323 V335 R342 P617	Y323-V344 HydrophobicContact CD1-CG2 4.3Å; Y323-V344 HydrophobicContact CE1-CG2 4.41Å; V335-V344 HydrophobicContact CB-CG2 3.85Å; V335-V344 HydrophobicContact CG1-CG2 3.54Å; V335-V344 WeakPolarHBondContact O-CG2 3.37Å; V335-V344 PolarHBondContact O-N 3.35Å; R342-V344 HydrophobicContact CG-CG1 4.35Å; R342-V344 PolarHBondContact O-N 3.1Å; V344-P617 VanDerWaalsContact O-CD 3.31Å; V344-P617 WeakPolarHBondContact O-CD 3.37Å
345	A	97.2	Very high	97.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	160.8	175.5	0	0	0	0	0	111.7	V335 V439 P617 L619	V335-A345 HydrophobicContact CB-CB 4.38Å; V335-A345 PolarHBondContact N-O 3.08Å; V335-A345 PolarHBondContact O-N 2.63Å; A345-V439 HydrophobicContact CB-CG1 3.79Å; A345-P617 WeakPolarHBondContact CA-O 3.15Å; A345-P617 HydrophobicContact CB-CB 4.42Å; A345-L619 HydrophobicContact CB-CD1 3.98Å; A345-L619 HydrophobicContact CB-CD2 4.27Å; A345-L619 HydrophobicContact CB-CG 3.88Å
346	R	98.3	Very high	97.1	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.6	165.6	-68	-170.9	-177.8	105.8	-8	110.4	V333 T334 V343 P611 R612 V616 P617 L618 L619	V333-R346 CarbonylContact O-C 3.53Å; V333-R346 VanDerWaalsContact O-CA 3.27Å; V333-R346 WeakPolarHBondContact O-CA 3.35Å; T334-R346 HydrophobicContact CG2-CG 4.12Å; V343-R346 HydrophobicContact CG1-CG 4.28Å; R346-P611 VanDerWaalsContact CZ-O 3.25Å; R346-P611 PolarHBondContact NH1-O 3.48Å; R346-P611 PolarHBondContact NH2-O 3.4Å; R346-R612 PolarHBondContact NH1-O 3.11Å; R346-V616 HydrophobicContact CG-CG2 4.11Å; R346-V616 VanDerWaalsContact NH1-CG2 3.26Å; R346-P617 PolarHBondContact N-O 3.49Å; R346-L618 HydrophobicContact CB-CD2 4.03Å; R346-L618 CarbonylContact O-C 3.48Å; R346-L618 WeakPolarHBondContact O-CA 3.32Å; R346-L619 PolarHBondContact O-N 3.44Å
347	G	97.6	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.6	174.4	0	0	0	0	0	111.3	L332 V333 L619	L332-G347 WeakPolarHBondContact CA-O 3.39Å; L332-G347 WeakPolarHBondContact CD2-O 3.28Å; V333-G347 PolarHBondContact N-O 3.4Å; V333-G347 VanDerWaalsContact N-O 3.1Å; V333-G347 PolarHBondContact O-N 2.82Å; G347-L619 WeakPolarHBondContact CA-O 3.43Å
348	H	95.3	Very high	97.2	Very high	115 Å²	115	42.5 Å²	42.5	53%	0.532	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.5	172.8	-167.3	78.3	0	0	0	109	L332 L619	L332-H348 HydrophobicContact CD2-CB 3.97Å; L332-H348 VanDerWaalsContact CD2-ND1 3.35Å; L332-H348 WeakPolarHBondContact CD2-ND1 3.5Å; H348-L619 PolarHBondContact N-O 3.49Å
349	G	95	Very high	97.3	Very high	17 Å²	17	40.9 Å²	40.9	18%	0.175	22%	0.215	C	C	.	.			trans	-178.9	-32.1	-175.9	0	0	0	0	0	114.1
350	H	98.1	Very high	97.3	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.019	18%	0.179	C	C	.	.			trans	-72.8	152.5	170.3	-73.6	-75.4	0	0	0	111.5	S352 V354 S423 D427 Q429 C431	H350-S352 WeakPolarHBondContact CB-O 3.25Å; H350-V354 HydrophobicContact CB-CG2 4.17Å; H350-S423 PolarHBondContact CD2-OG 2.87Å; H350-S423 WeakPolarHBondContact NE2-CB 3.15Å; H350-S423 PolarHBondContact NE2-OG 3.04Å; H350-D427 WeakPolarHBondContact CA-OD2 3.47Å; H350-D427 WeakPolarHBondContact CB-OD2 3.19Å; H350-D427 IonicContact CE1-OD1 2.93Å; H350-D427 IonicContact CG-OD2 3.25Å; H350-D427 IonicContact ND1-OD1 2.65Å; H350-D427 PolarHBondContact ND1-OD1 2.86Å; H350-D427 IonicContact ND1-OD2 3.21Å; H350-D427 PolarHBondContact ND1-OD2 2.5Å; H350-D427 VanDerWaalsContact ND1-OD2 3.11Å; H350-Q429 PolarHBondContact CE1-O 3.14Å; H350-C431 VanDerWaalsContact CE1-SG 3.58Å; H350-C431 PolarHBondContact NE2-SG 2.77Å
351	K	97.1	Very high	97.3	Very high	143 Å²	143	35.6 Å²	35.6	62%	0.622	18%	0.18	S	C	*	.	S	Bend	trans	-108.7	6.3	178.4	-57.3	-179.4	-174.7	173	0	113	D427	K351-D427 HydrophobicContact CB-CB 4.1Å; K351-D427 PolarHBondContact N-OD2 3.33Å
352	S	98.2	Very high	97.2	Very high	33 Å²	33	37.7 Å²	37.7	23%	0.231	18%	0.182	C	C	.	.	S	Bend	trans	-164.1	-179.2	179.2	-163.3	0	0	0	0	108.4	D331 H350	D331-S352 VanDerWaalsContact CG-C 3.47Å; D331-S352 VanDerWaalsContact CG-CA 3.5Å; D331-S352 WeakPolarHBondContact OD1-CA 3.21Å; D331-S352 PolarHBondContact OD2-N 2.83Å; H350-S352 WeakPolarHBondContact CB-O 3.25Å
353	W	98.4	Very high	96.9	Very high	101 Å²	101	33.3 Å²	33.3	38%	0.383	17%	0.169	S	C	.	.			trans	-57.9	140.1	-170.5	-59.9	-5.3	0	0	0	112.7	L313 E329 D331 N355 G425 Q426	L313-W353 HydrophobicContact CD1-CB 3.7Å; L313-W353 HydrophobicContact CD1-CD2 4.33Å; L313-W353 HydrophobicContact CD1-CE3 3.97Å; L313-W353 HydrophobicContact CD1-CG 4.26Å; E329-W353 VanDerWaalsContact CA-CD1 3.48Å; E329-W353 HydrophobicContact CB-CD2 4.18Å; E329-W353 HydrophobicContact CB-CG 4.3Å; E329-W353 HydrophobicContact CB-CZ2 4.36Å; E329-W353 HydrophobicContact CG-CD2 3.84Å; E329-W353 HydrophobicContact CG-CE3 4.01Å; E329-W353 HydrophobicContact CG-CG 4.32Å; E329-W353 HydrophobicContact CG-CH2 4.29Å; E329-W353 HydrophobicContact CG-CZ2 4.07Å; E329-W353 HydrophobicContact CG-CZ3 4.25Å; E329-W353 VanDerWaalsContact O-CD1 3.31Å; E329-W353 PolarHBondContact O-NE1 3.13Å; D331-W353 PolarHBondContact OD1-N 2.86Å; W353-N355 PolarHBondContact O-N 2.86Å; W353-G425 CarbonylContact O-C 3.46Å; W353-G425 WeakPolarHBondContact O-CA 3.29Å; W353-Q426 HydrophobicContact CB-CG 4.11Å; W353-Q426 PolarHBondContact O-N 2.5Å
354	V	98.8	Very high	96.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	113.9	179.4	-173.8	0	0	0	0	109.3	L313 C314 G328 V333 H350 V357	L313-V354 WeakPolarHBondContact CB-O 3.46Å; C314-V354 PolarHBondContact SG-O 3.21Å; G328-V354 PolarHBondContact O-N 2.78Å; G328-V354 VanDerWaalsContact O-N 3.11Å; V333-V354 HydrophobicContact CG1-CG1 4.2Å; V333-V354 HydrophobicContact CG1-CG2 4.44Å; H350-V354 HydrophobicContact CB-CG2 4.17Å; V354-V357 HydrophobicContact CG1-CG1 3.9Å
355	N	98.3	Very high	95.7	Very high	30 Å²	30	36.3 Å²	36.3	16%	0.16	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-34.4	-173.8	-74.5	-23.5	0	0	0	113.3	C314 W353 V424 Q426 L632	C314-N355 WeakPolarHBondContact CB-O 3.23Å; W353-N355 PolarHBondContact O-N 2.86Å; N355-V424 PolarHBondContact N-O 3.44Å; N355-Q426 WeakPolarHBondContact ND2-CG 3.06Å; N355-Q426 WeakPolarHBondContact OD1-CG 3.29Å; N355-Q426 PolarHBondContact OD1-NE2 3.36Å; N355-L632 WeakPolarHBondContact CB-O 3.44Å; N355-L632 PolarHBondContact ND2-O 2.79Å
356	V	98.8	Very high	94.8	Very high	13 Å²	13	39.6 Å²	39.6	8%	0.079	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141	-179.9	-172.1	0	0	0	0	109.9	S423 V424 T633 L635	V356-S423 CarbonylContact O-C 3.47Å; V356-S423 WeakPolarHBondContact O-CA 3.32Å; V356-V424 HydrophobicContact CB-CG2 3.7Å; V356-V424 HydrophobicContact CG2-CG2 4.04Å; V356-V424 PolarHBondContact N-O 3.21Å; V356-V424 VanDerWaalsContact N-O 3.16Å; V356-V424 PolarHBondContact O-N 2.85Å; V356-T633 VanDerWaalsContact CG2-O 3.29Å; V356-T633 WeakPolarHBondContact CG2-O 3.41Å; V356-L635 HydrophobicContact CB-CB 4.37Å; V356-L635 HydrophobicContact CG1-CB 4Å
357	V	98.9	Very high	93.3	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.1	167.7	-66.5	0	0	0	0	108.6	C314 S316 A325 V333 V354 G422	C314-V357 HydrophobicContact CB-CG2 4.25Å; S316-V357 WeakPolarHBondContact CB-O 3.26Å; A325-V357 HydrophobicContact CB-CB 4.45Å; A325-V357 HydrophobicContact CB-CG2 4.42Å; A325-V357 WeakPolarHBondContact O-CG2 3.37Å; V333-V357 HydrophobicContact CG1-CG1 4.06Å; V354-V357 HydrophobicContact CG1-CG1 3.9Å; V357-G422 WeakPolarHBondContact CA-O 3.37Å
358	A	98.8	Very high	91.2	Very high	14 Å²	14	50.5 Å²	50.5	12%	0.116	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	134.4	177	0	0	0	0	0	111	F421 G422 L635 F637	A358-F421 CarbonylContact O-C 3.46Å; A358-F421 VanDerWaalsContact O-CA 3.23Å; A358-F421 WeakPolarHBondContact O-CA 3.13Å; A358-F421 WeakPolarHBondContact O-CB 3.35Å; A358-G422 PolarHBondContact N-O 3.16Å; A358-G422 PolarHBondContact O-N 2.89Å; A358-L635 HydrophobicContact CB-CD2 4.19Å; A358-L635 HydrophobicContact CB-CG 4.24Å; A358-F637 HydrophobicContact CB-CD2 3.94Å; A358-F637 HydrophobicContact CB-CE2 4.01Å; A358-F637 VanDerWaalsContact O-CE2 3.26Å; A358-F637 WeakPolarHBondContact O-CE2 3.38Å
359	F	98.5	Very high	88.7	Confident	12 Å²	12	51.6 Å²	51.6	5%	0.053	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	145.8	166.9	-79	-95.5	0	0	0	111.2	S316 W317 P319 A325 P361 Y419 F421 F637	S316-F359 PolarHBondContact OG-N 2.81Å; W317-F359 WeakPolarHBondContact O-CD2 3.36Å; P319-F359 HydrophobicContact CG-CB 4.4Å; A325-F359 HydrophobicContact CB-CD2 4.46Å; A325-F359 HydrophobicContact CB-CE2 3.64Å; A325-F359 HydrophobicContact CB-CZ 4.14Å; F359-P361 VanDerWaalsContact O-CD 3.26Å; F359-P361 WeakPolarHBondContact O-CD 3.46Å; F359-Y419 HydrophobicContact CE1-CD1 4.36Å; F359-Y419 HydrophobicContact CE1-CG 4.37Å; F359-F421 HydrophobicContact CB-CB 4.44Å; F359-F421 HydrophobicContact CD1-CB 3.81Å; F359-F421 HydrophobicContact CD2-CB 4.3Å; F359-F421 HydrophobicContact CE1-CB 4.09Å; F359-F421 HydrophobicContact CE1-CD1 4.18Å; F359-F421 HydrophobicContact CE1-CG 4.43Å; F359-F421 HydrophobicContact CG-CB 3.93Å; F359-F421 HydrophobicContact CZ-CB 4.46Å; F359-F421 HydrophobicContact CZ-CD1 4.49Å; F359-F637 WeakPolarHBondContact O-CD2 3.34Å
360	D	97.6	Very high	86	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.3	C	S	.	.			trans	-97.5	100.3	173.4	-177.8	7.5	0	0	0	109.7	F362 T363 T364 R420 F637 R656	D360-F362 PolarHBondContact O-N 3.16Å; D360-F362 WeakPolarHBondContact OD1-CB 3.42Å; D360-F362 PolarHBondContact OD1-N 3Å; D360-T363 WeakPolarHBondContact OD2-CG2 3.4Å; D360-T363 PolarHBondContact OD2-OG1 3.2Å; D360-T364 PolarHBondContact O-N 3.31Å; D360-T364 PolarHBondContact O-OG1 3.28Å; D360-R420 HydrophobicContact CB-CB 4.14Å; D360-R420 HydrophobicContact CB-CG 4.07Å; D360-R420 PolarHBondContact N-O 2.83Å; D360-F637 HydrophobicContact CB-CB 4.29Å; D360-F637 HydrophobicContact CB-CD1 3.61Å; D360-F637 HydrophobicContact CB-CD2 3.95Å; D360-F637 HydrophobicContact CB-CE1 3.83Å; D360-F637 HydrophobicContact CB-CE2 4.16Å; D360-F637 HydrophobicContact CB-CG 3.67Å; D360-F637 HydrophobicContact CB-CZ 4.11Å; D360-F637 VanDerWaalsContact CG-CD1 3.46Å; D360-R656 VanDerWaalsContact CG-NH2 3.32Å; D360-R656 IonicContact OD1-CZ 3.74Å; D360-R656 IonicContact OD1-NH1 3.97Å; D360-R656 IonicContact OD1-NH2 3.8Å; D360-R656 PolarHBondContact OD1-NH2 3.07Å; D360-R656 IonicContact OD2-CZ 3.01Å; D360-R656 IonicContact OD2-NH1 2.72Å; D360-R656 PolarHBondContact OD2-NH1 3.45Å; D360-R656 IonicContact OD2-NH2 3.73Å; D360-R656 PolarHBondContact OD2-NH2 3.43Å
361	P	94.5	Very high	83.3	Confident	67 Å²	67	63.3 Å²	63.3	44%	0.435	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.9	-179.9	28.7	-34.2	0	0	0	112.7	P319 F359	P319-P361 HydrophobicContact CB-CB 4.29Å; P319-P361 HydrophobicContact CG-CB 3.94Å; F359-P361 VanDerWaalsContact O-CD 3.26Å; F359-P361 WeakPolarHBondContact O-CD 3.46Å
362	F	92.5	Very high	80.6	Confident	101 Å²	101	64.8 Å²	64.8	44%	0.443	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.1	-173.3	-55.4	-78.7	0	0	0	113.7	D360 F637 M638 D639	D360-F362 PolarHBondContact O-N 3.16Å; D360-F362 WeakPolarHBondContact OD1-CB 3.42Å; D360-F362 PolarHBondContact OD1-N 3Å; F362-F637 HydrophobicContact CD2-CB 4.49Å; F362-M638 VanDerWaalsContact CD2-C 3.45Å; F362-M638 WeakPolarHBondContact CD2-O 3.25Å; F362-M638 VanDerWaalsContact CE2-CA 3.47Å; F362-M638 WeakPolarHBondContact CE2-O 3.21Å; F362-D639 HydrophobicContact CD1-CB 3.85Å; F362-D639 VanDerWaalsContact CE1-CA 3.49Å; F362-D639 HydrophobicContact CE1-CB 3.46Å; F362-D639 VanDerWaalsContact CE1-CB 3.46Å; F362-D639 HydrophobicContact CZ-CB 3.92Å
363	T	89.7	Confident	77.7	Confident	26 Å²	26	71.9 Å²	71.9	16%	0.16	37%	0.372	C	S	.	.	S	Bend	trans	-129.3	13	176	66	0	0	0	0	113.5	E22 D360 R420	E22-T363 HydrophobicContact CG-CG2 4.41Å; D360-T363 WeakPolarHBondContact OD2-CG2 3.4Å; D360-T363 PolarHBondContact OD2-OG1 3.2Å; T363-R420 WeakPolarHBondContact OG1-CB 3.45Å; T363-R420 VanDerWaalsContact OG1-CD 3.31Å; T363-R420 WeakPolarHBondContact OG1-CD 3.48Å; T363-R420 PolarHBondContact OG1-NH1 2.92Å
364	T	87.8	Confident	75.1	Confident	26 Å²	26	74.7 Å²	74.7	16%	0.16	39%	0.394	C	S	.	.			trans	-86	131.7	171.2	-67.5	0	0	0	0	109.3	D360 L366 T418 Y419 R420	D360-T364 PolarHBondContact O-N 3.31Å; D360-T364 PolarHBondContact O-OG1 3.28Å; T364-L366 HydrophobicContact CG2-CD2 3.62Å; T364-L366 HydrophobicContact CG2-CG 3.98Å; T364-T418 CarbonylContact C-O 3.6Å; T364-T418 WeakPolarHBondContact CA-O 3.46Å; T364-Y419 HydrophobicContact CG2-CD1 3.67Å; T364-Y419 HydrophobicContact CG2-CE1 4.22Å; T364-Y419 HydrophobicContact CG2-CG 4.28Å; T364-R420 PolarHBondContact OG1-N 3.14Å
365	S	81.2	Confident	72	Confident	53 Å²	53	80.3 Å²	80.3	37%	0.371	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-108.8	118	173.1	-170.4	0	0	0	0	108.4	T418	S365-T418 PolarHBondContact N-O 3.18Å; S365-T418 PolarHBondContact O-N 3.01Å; S365-T418 VanDerWaalsContact O-N 3.12Å
366	L	77.5	Confident	69	Low	69 Å²	69	82 Å²	82	36%	0.361	46%	0.457	S	S	.	.			trans	-104.5	145.4	176.3	-56.1	176.5	0	0	0	108.7	D320 T364 D368 Y419	D320-L366 HydrophobicContact CB-CD1 3.95Å; D320-L366 HydrophobicContact CB-CD2 4.42Å; T364-L366 HydrophobicContact CG2-CD2 3.62Å; T364-L366 HydrophobicContact CG2-CG 3.98Å; L366-D368 PolarHBondContact O-N 3.09Å; L366-Y419 HydrophobicContact CD2-CD1 4.18Å; L366-Y419 HydrophobicContact CD2-CE1 3.44Å; L366-Y419 VanDerWaalsContact CD2-CE1 3.44Å
367	E	67.8	Low	66.3	Low	81 Å²	81	86.8 Å²	86.8	38%	0.379	49%	0.492	S	S	.	.			trans	-68.2	127.2	163.2	-77.1	-177.9	160.5	0	0	107.6	D369 S414 P415 V417	E367-D369 PolarHBondContact O-N 3.14Å; E367-S414 WeakPolarHBondContact OE1-CB 3.31Å; E367-S414 PolarHBondContact OE1-OG 3.12Å; E367-P415 HydrophobicContact CG-CG 4.49Å; E367-V417 HydrophobicContact CB-CG2 4.27Å; E367-V417 HydrophobicContact CG-CG2 3.76Å
368	D	52.1	Low	63.3	Low	149 Å²	149	95.9 Å²	95.9	80%	0.797	53%	0.533	S	S	*	.			trans	-68.7	115.3	167.3	-75.3	-35.7	0	0	0	107.4	L366 E370	L366-D368 PolarHBondContact O-N 3.09Å; D368-E370 PolarHBondContact O-N 2.88Å
369	D	43.8	Very low	60.6	Low	138 Å²	138	104 Å²	104	74%	0.738	57%	0.569	S	S	*	*			trans	-69.2	69.9	169.3	-84.5	-45.6	0	0	0	108.8	E367 P371	E367-D369 PolarHBondContact O-N 3.14Å; D369-P371 WeakPolarHBondContact O-CD 3.43Å
370	E	38.5	Very low	57.4	Low	164 Å²	164	110.6 Å²	110.6	77%	0.766	61%	0.605	S	S	*	*			trans	-71.9	121.9	166	-80.4	-73.8	-110.3	0	0	108.2	D368 M372	D368-E370 PolarHBondContact O-N 2.88Å; E370-M372 PolarHBondContact O-N 3.43Å; E370-M372 VanDerWaalsContact O-N 3.13Å
371	P	40.2	Very low	54.2	Low	104 Å²	104	117.5 Å²	117.5	68%	0.675	64%	0.641	S	S	*	*			trans	-60.6	123.5	176.6	24.3	-30.6	0	0	0	108.1	D369 E373	D369-P371 WeakPolarHBondContact O-CD 3.43Å; P371-E373 VanDerWaalsContact C-N 3.33Å; P371-E373 PolarHBondContact O-N 2.87Å
372	M	40.8	Very low	51.3	Low	174 Å²	174	121.7 Å²	121.7	86%	0.857	65%	0.654	S	S	*	*			trans	-57.2	93.1	179.7	-160.9	-179.7	-63.1	0	0	109.2	E370 L374	E370-M372 PolarHBondContact O-N 3.43Å; E370-M372 VanDerWaalsContact O-N 3.13Å; M372-L374 PolarHBondContact O-N 2.83Å
373	E	37.3	Very low	48.5	Very low	181 Å²	181	126.6 Å²	126.6	85%	0.846	68%	0.679	S	S	*	*			trans	-63.5	107.1	168	-76.4	-155.3	162.7	0	0	106.6	P371 S375	P371-E373 VanDerWaalsContact C-N 3.33Å; P371-E373 PolarHBondContact O-N 2.87Å; E373-S375 PolarHBondContact O-N 2.82Å
374	L	43.4	Very low	45.6	Very low	161 Å²	161	128.9 Å²	128.9	84%	0.843	71%	0.707	S	S	*	*			trans	-60.6	84	163.8	-70.3	167.1	0	0	0	107	M372 G376	M372-L374 PolarHBondContact O-N 2.83Å; L374-G376 PolarHBondContact O-N 3.06Å
375	S	35.1	Very low	42.9	Very low	118 Å²	118	132 Å²	132	83%	0.825	74%	0.735	S	S	*	*			trans	-70.2	91	168.8	-176.2	0	0	0	0	107	E373	E373-S375 PolarHBondContact O-N 2.82Å
376	G	34.1	Very low	40.4	Very low	64 Å²	64	137.8 Å²	137.8	66%	0.66	76%	0.757	S	S	*	*			trans	-58.4	132.7	170.2	0	0	0	0	0	110.1	L374	L374-G376 PolarHBondContact O-N 3.06Å
377	S	42.5	Very low	38.2	Very low	115 Å²	115	142.2 Å²	142.2	80%	0.804	78%	0.781	S	S	*	*			trans	-68.2	116.8	169.2	49.1	0	0	0	0	110.7
378	E	35.6	Very low	36.5	Very low	196 Å²	196	145.8 Å²	145.8	92%	0.916	80%	0.802	S	S	*	*			trans	-143.5	125.3	158	-60.3	-166.1	162.3	0	0	110.1
379	E	42.3	Very low	35.4	Very low	186 Å²	186	142.9 Å²	142.9	87%	0.869	79%	0.794	S	S	*	*			trans	-81.7	160.1	178.9	-67.8	175.3	124.7	0	0	112.3
380	D	31.3	Very low	34.8	Very low	150 Å²	150	142.7 Å²	142.7	80%	0.802	80%	0.798	S	S	*	*			trans	67.7	126.2	158.8	-70.9	-28.2	0	0	0	120.6
381	L	31	Very low	34.3	Very low	144 Å²	144	142.3 Å²	142.3	75%	0.754	80%	0.796	S	S	*	*				164	111	107	-152.7	72.6	0	0	0	112.4
382	H	32.1	Very low	33.7	Very low	155 Å²	155	146.4 Å²	146.4	72%	0.718	80%	0.803	S	S	*	*			trans	45.4	109.5	144.3	-59	77.8	0	0	0	122.6
383	Q	33.5	Very low	33.1	Very low	205 Å²	205	142 Å²	142	96%	0.958	80%	0.802	S	S	*	*			trans	-167.4	134.3	133.9	-123.7	102.4	59.4	0	0	106
384	G	30.9	Very low	32.8	Very low	73 Å²	73	143.9 Å²	143.9	75%	0.753	80%	0.802	S	S	*	*			cis	166.3	141.1	27.6	0	0	0	0	0	104.9
385	A	29.8	Very low	32.1	Very low	91 Å²	91	143.2 Å²	143.2	75%	0.752	80%	0.804	S	S	*	*			trans	-77.5	161.2	-170.2	0	0	0	0	0	113.5
386	Q	29.6	Very low	32	Very low	176 Å²	176	147.8 Å²	147.8	82%	0.822	80%	0.803	S	S	*	*			trans	74.9	108.8	151.2	-67.8	176.5	-15.9	0	0	119.5
387	N	31	Very low	31.8	Very low	161 Å²	161	151.7 Å²	151.7	86%	0.861	82%	0.815	S	S	*	*				-166	129.1	99.1	-96.6	-21.8	0	0	0	114.2
388	N	31.6	Very low	31.2	Very low	156 Å²	156	151.7 Å²	151.7	83%	0.834	81%	0.814	S	S	*	*			trans	-52.2	165.5	161.9	-85.7	-15	0	0	0	112.4
389	S	29.3	Very low	31	Very low	88 Å²	88	147.8 Å²	147.8	62%	0.615	81%	0.809	S	S	*	*			cis	175.5	149.5	-5.3	53.7	0	0	0	0	105.9
390	T	31	Very low	30.9	Very low	135 Å²	135	145.1 Å²	145.1	83%	0.828	81%	0.806	S	S	*	*			trans	159.3	93.3	130.3	53.5	0	0	0	0	113.7
391	H	27.4	Very low	31.1	Very low	155 Å²	155	146 Å²	146	72%	0.718	81%	0.809	S	S	*	*				19.5	126.1	126.2	-124.4	-59.2	0	0	0	123
392	F	27.9	Very low	31.2	Very low	190 Å²	190	143.9 Å²	143.9	83%	0.833	81%	0.807	S	S	*	*				137.9	132.5	120.1	-88.6	-73.1	0	0	0	115.9
393	G	28.1	Very low	31.5	Very low	81 Å²	81	147.8 Å²	147.8	84%	0.835	82%	0.815	S	S	*	*			trans	139.8	93.9	153.3	0	0	0	0	0	116.1
394	R	30.5	Very low	31.4	Very low	222 Å²	222	145.9 Å²	145.9	84%	0.838	81%	0.811	S	S	*	*			trans	-103.2	118.7	175.1	-178.4	-169.8	-162.4	-175.2	7.3	109.4
395	V	29.7	Very low	31.4	Very low	147 Å²	147	146 Å²	146	89%	0.891	80%	0.8	S	S	*	*			trans	-147.9	135.6	153.5	-177.7	0	0	0	0	110.5
396	R	32.4	Very low	31.9	Very low	213 Å²	213	153.4 Å²	153.4	80%	0.804	81%	0.808	S	S	*	*			trans	-80	141.5	-178.7	-65.8	166.2	159.1	170.6	-7.2	111.6
397	T	30.4	Very low	32	Very low	147 Å²	147	153.3 Å²	153.3	90%	0.902	81%	0.808	S	S	*	*			trans	-156.9	142.4	136.3	47.1	0	0	0	0	111.5
398	S	30.2	Very low	32.1	Very low	114 Å²	114	150.1 Å²	150.1	80%	0.797	80%	0.798	S	S	*	*			trans	-61	136.1	-175.5	173	0	0	0	0	115.2
399	S	32.1	Very low	32.1	Very low	115 Å²	115	148.2 Å²	148.2	80%	0.804	80%	0.796	S	S	*	*			trans	-150.2	120	142.9	53.9	0	0	0	0	110.2	L401	S399-L401 PolarHBondContact O-N 2.92Å
400	T	38.8	Very low	32.6	Very low	130 Å²	130	153.9 Å²	153.9	80%	0.798	81%	0.81	S	S	*	*			trans	-62.9	111.1	170.4	42.4	0	0	0	0	109.5
401	L	36.4	Very low	32.6	Very low	167 Å²	167	150.5 Å²	150.5	87%	0.874	80%	0.802	S	S	*	*			trans	-175.1	138.3	145.9	-101	168.8	0	0	0	110.4	S399	S399-L401 PolarHBondContact O-N 2.92Å
402	S	33.5	Very low	33	Very low	101 Å²	101	147.6 Å²	147.6	71%	0.706	81%	0.814	S	S	*	*			trans	85.1	128.9	160.8	81.1	0	0	0	0	119.2
403	R	38.5	Very low	33.6	Very low	236 Å²	236	141.6 Å²	141.6	89%	0.891	81%	0.805	S	S	*	*			trans	86.1	88.3	159.2	-53.2	-171.9	177.6	-170.9	-0.9	117.9
404	L	31.1	Very low	34.6	Very low	166 Å²	166	141.6 Å²	141.6	87%	0.869	79%	0.793	S	S	*	*			trans	-125.5	89.3	140.6	-82.6	148.4	0	0	0	105.2
405	S	30.9	Very low	35.9	Very low	74 Å²	74	135.1 Å²	135.1	52%	0.517	78%	0.78	S	S	.	*				52.7	102.1	93.4	75.7	0	0	0	0	112	H407	S405-H407 PolarHBondContact O-N 2.51Å
406	R	39.9	Very low	38	Very low	247 Å²	247	131.5 Å²	131.5	93%	0.932	76%	0.76	S	S	*	*				39.3	75.6	85.9	-90.7	-179.4	158.7	169.7	-6	111.4
407	H	31.6	Very low	40.1	Very low	175 Å²	175	122 Å²	122	81%	0.81	73%	0.726	S	S	*	*			trans	-100.3	102.4	143.4	-82.4	-64.1	0	0	0	104.9	S405	S405-H407 PolarHBondContact O-N 2.51Å
408	S	33.7	Very low	42.9	Very low	94 Å²	94	115.4 Å²	115.4	66%	0.657	69%	0.686	S	S	*	*				45.4	68.5	74.5	-176.4	0	0	0	0	112.5
409	S	31.4	Very low	46	Very low	115 Å²	115	110.2 Å²	110.2	80%	0.804	65%	0.649	S	S	*	*			trans	-88.1	94.4	142.5	54.4	0	0	0	0	107.5	G411	S409-G411 PolarHBondContact O-N 2.86Å
410	K	39.5	Very low	49.1	Very low	208 Å²	208	104.7 Å²	104.7	90%	0.904	61%	0.61	S	S	*	*			trans	-64.7	90.1	158.8	-86.4	-175.1	171.9	-177.2	0	107.2
411	G	30.6	Very low	52	Low	63 Å²	63	98.5 Å²	98.5	65%	0.649	57%	0.572	S	S	*	*			trans	-123.3	104.2	153.5	0	0	0	0	0	105.1	S409 G413	S409-G411 PolarHBondContact O-N 2.86Å; G411-G413 PolarHBondContact O-N 3.29Å
412	G	35.4	Very low	54.9	Low	95 Å²	95	90.6 Å²	90.6	98%	0.979	53%	0.531	S	S	*	.			trans	-71.9	86.8	-175.7	0	0	0	0	0	111.7
413	G	41.9	Very low	58.1	Low	63 Å²	63	85.8 Å²	85.8	65%	0.649	50%	0.497	S	S	*	.			trans	-111.5	136.9	153.1	0	0	0	0	0	107.5	G411	G411-G413 PolarHBondContact O-N 3.29Å
414	S	48.9	Very low	60.9	Low	81 Å²	81	74.5 Å²	74.5	57%	0.566	46%	0.455	S	S	*	.			trans	-55.4	148.9	166.1	60	0	0	0	0	109.1	E367 S416	E367-S414 WeakPolarHBondContact OE1-CB 3.31Å; E367-S414 PolarHBondContact OE1-OG 3.12Å; S414-S416 PolarHBondContact O-N 2.82Å
415	P	57.6	Low	64.1	Low	87 Å²	87	66.6 Å²	66.6	57%	0.565	41%	0.413	S	S	*	.			trans	-59.2	115.3	176.2	24.9	-31.8	0	0	0	108.7	E367 V417	E367-P415 HydrophobicContact CG-CG 4.49Å; P415-V417 PolarHBondContact O-N 3.08Å
416	S	72.8	Confident	67.3	Low	70 Å²	70	66 Å²	66	49%	0.49	40%	0.402	S	S	.	.			trans	-59.3	130.9	-175.9	58.7	0	0	0	0	111.1	S414 T418 D437	S414-S416 PolarHBondContact O-N 2.82Å; S416-T418 PolarHBondContact O-N 3.42Å; S416-D437 WeakPolarHBondContact CA-OD2 3.49Å; S416-D437 WeakPolarHBondContact CB-OD2 3.31Å
417	V	77.2	Confident	70	Confident	13 Å²	13	55.3 Å²	55.3	8%	0.079	36%	0.363	C	S	.	.			trans	-65.5	130.6	177.9	-178.5	0	0	0	0	108.5	E367 P415 Y419 D437	E367-V417 HydrophobicContact CB-CG2 4.27Å; E367-V417 HydrophobicContact CG-CG2 3.76Å; P415-V417 PolarHBondContact O-N 3.08Å; V417-Y419 HydrophobicContact CG1-CD2 4.02Å; V417-Y419 HydrophobicContact CG1-CE2 3.33Å; V417-D437 WeakPolarHBondContact CB-OD1 3.17Å; V417-D437 PolarHBondContact N-OD1 3.06Å; V417-D437 PolarHBondContact N-OD2 2.72Å; V417-D437 PolarHBondContact O-N 2.93Å
418	T	89.1	Confident	73.2	Confident	9 Å²	9	47.6 Å²	47.6	6%	0.055	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	116.4	176.9	-178.3	0	0	0	0	109.8	T364 S365 S416 L435	T364-T418 CarbonylContact C-O 3.6Å; T364-T418 WeakPolarHBondContact CA-O 3.46Å; S365-T418 PolarHBondContact N-O 3.18Å; S365-T418 PolarHBondContact O-N 3.01Å; S365-T418 VanDerWaalsContact O-N 3.12Å; S416-T418 PolarHBondContact O-N 3.42Å; T418-L435 WeakPolarHBondContact CA-O 3.36Å
419	Y	95.9	Very high	76.2	Confident	5 Å²	5	44.1 Å²	44.1	2%	0.02	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141.9	169.7	-53.9	-96.3	0	0	0	109.4	D320 Y323 F359 T364 L366 V417 D434 L435 L440	D320-Y419 WeakPolarHBondContact OD2-CE1 3.34Å; D320-Y419 PolarHBondContact OD2-OH 3.25Å; Y323-Y419 HydrophobicContact CD2-CD2 4.37Å; Y323-Y419 HydrophobicContact CD2-CE1 4.19Å; Y323-Y419 AromaticContact CD2-CE2 3.79Å; Y323-Y419 HydrophobicContact CD2-CE2 3.79Å; Y323-Y419 AromaticContact CD2-CZ 3.71Å; Y323-Y419 HydrophobicContact CE2-CD2 4.36Å; Y323-Y419 AromaticContact CE2-CE2 3.5Å; Y323-Y419 HydrophobicContact CE2-CE2 3.5Å; Y323-Y419 VanDerWaalsContact CE2-CE2 3.5Å; Y323-Y419 AromaticContact CE2-CZ 3.6Å; Y323-Y419 WeakPolarHBondContact CE2-OH 3.49Å; F359-Y419 HydrophobicContact CE1-CD1 4.36Å; F359-Y419 HydrophobicContact CE1-CG 4.37Å; T364-Y419 HydrophobicContact CG2-CD1 3.67Å; T364-Y419 HydrophobicContact CG2-CE1 4.22Å; T364-Y419 HydrophobicContact CG2-CG 4.28Å; L366-Y419 HydrophobicContact CD2-CD1 4.18Å; L366-Y419 HydrophobicContact CD2-CE1 3.44Å; L366-Y419 VanDerWaalsContact CD2-CE1 3.44Å; V417-Y419 HydrophobicContact CG1-CD2 4.02Å; V417-Y419 HydrophobicContact CG1-CE2 3.33Å; Y419-D434 WeakPolarHBondContact O-CA 3.28Å; Y419-L435 HydrophobicContact CD2-CB 4.5Å; Y419-L435 HydrophobicContact CD2-CD2 4.05Å; Y419-L435 HydrophobicContact CD2-CG 4.41Å; Y419-L435 PolarHBondContact N-O 3.4Å; Y419-L435 PolarHBondContact O-N 3.32Å; Y419-L440 HydrophobicContact CD2-CD1 4.1Å; Y419-L440 HydrophobicContact CE2-CD1 3.81Å
420	R	97.1	Very high	79.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.7	166	-178.3	155.8	-60.5	135.1	-6.7	110.3	E22 D360 T363 T364 L432 W433 D434	E22-R420 IonicContact OE1-CZ 3.08Å; E22-R420 IonicContact OE1-NH1 3.23Å; E22-R420 PolarHBondContact OE1-NH1 3.48Å; E22-R420 IonicContact OE1-NH2 3.97Å; E22-R420 PolarHBondContact OE1-NH2 2.85Å; E22-R420 IonicContact OE2-CZ 3.37Å; E22-R420 IonicContact OE2-NH1 2.92Å; E22-R420 PolarHBondContact OE2-NH1 2.86Å; E22-R420 IonicContact OE2-NH2 3.24Å; D360-R420 HydrophobicContact CB-CB 4.14Å; D360-R420 HydrophobicContact CB-CG 4.07Å; D360-R420 PolarHBondContact N-O 2.83Å; T363-R420 WeakPolarHBondContact OG1-CB 3.45Å; T363-R420 VanDerWaalsContact OG1-CD 3.31Å; T363-R420 WeakPolarHBondContact OG1-CD 3.48Å; T363-R420 PolarHBondContact OG1-NH1 2.92Å; T364-R420 PolarHBondContact OG1-N 3.14Å; R420-L432 HydrophobicContact CG-CD1 3.71Å; R420-L432 HydrophobicContact CG-CG 4.17Å; R420-W433 WeakPolarHBondContact CA-O 3.17Å; R420-D434 IonicContact CZ-OD1 3.19Å; R420-D434 VanDerWaalsContact CZ-OD1 3.23Å; R420-D434 IonicContact NE-OD1 3.65Å; R420-D434 PolarHBondContact NE-OD1 2.93Å; R420-D434 IonicContact NH2-OD1 2.89Å; R420-D434 PolarHBondContact NH2-OD1 3.32Å; R420-D434 IonicContact NH2-OD2 3.11Å; R420-D434 PolarHBondContact NH2-OD2 2.92Å; R420-D434 VanDerWaalsContact NH2-OD2 3.08Å
421	F	98.6	Very high	82.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.2	168.3	68.9	-82.3	0	0	0	110.3	A325 V333 V335 A358 F359 W433 L619	A325-F421 HydrophobicContact CB-CD2 4.16Å; A325-F421 HydrophobicContact CB-CE2 4.35Å; V333-F421 HydrophobicContact CB-CE2 4.26Å; V333-F421 HydrophobicContact CG2-CE2 4.06Å; V333-F421 HydrophobicContact CG2-CZ 4.31Å; V335-F421 HydrophobicContact CG2-CE1 4.01Å; V335-F421 HydrophobicContact CG2-CZ 3.79Å; A358-F421 CarbonylContact O-C 3.46Å; A358-F421 VanDerWaalsContact O-CA 3.23Å; A358-F421 WeakPolarHBondContact O-CA 3.13Å; A358-F421 WeakPolarHBondContact O-CB 3.35Å; F359-F421 HydrophobicContact CB-CB 4.44Å; F359-F421 HydrophobicContact CD1-CB 3.81Å; F359-F421 HydrophobicContact CD2-CB 4.3Å; F359-F421 HydrophobicContact CE1-CB 4.09Å; F359-F421 HydrophobicContact CE1-CD1 4.18Å; F359-F421 HydrophobicContact CE1-CG 4.43Å; F359-F421 HydrophobicContact CG-CB 3.93Å; F359-F421 HydrophobicContact CZ-CB 4.46Å; F359-F421 HydrophobicContact CZ-CD1 4.49Å; F421-W433 HydrophobicContact CD1-CB 3.88Å; F421-W433 HydrophobicContact CD2-CB 4.14Å; F421-W433 AromaticContact CD2-CD1 3.54Å; F421-W433 HydrophobicContact CD2-CG 4.06Å; F421-W433 HydrophobicContact CE1-CB 3.45Å; F421-W433 VanDerWaalsContact CE1-CB 3.45Å; F421-W433 HydrophobicContact CE1-CG 4.18Å; F421-W433 HydrophobicContact CE2-CB 3.74Å; F421-W433 AromaticContact CE2-CD1 3.3Å; F421-W433 HydrophobicContact CE2-CD2 4.3Å; F421-W433 AromaticContact CE2-CG 3.52Å; F421-W433 HydrophobicContact CE2-CG 3.52Å; F421-W433 AromaticContact CE2-NE1 3.97Å; F421-W433 HydrophobicContact CG-CB 4.2Å; F421-W433 HydrophobicContact CZ-CB 3.38Å; F421-W433 AromaticContact CZ-CD1 3.88Å; F421-W433 HydrophobicContact CZ-CD2 4.32Å; F421-W433 AromaticContact CZ-CG 3.59Å; F421-W433 HydrophobicContact CZ-CG 3.59Å; F421-W433 PolarHBondContact N-O 3.16Å; F421-W433 VanDerWaalsContact N-O 3.08Å; F421-W433 VanDerWaalsContact O-CD1 3.31Å; F421-W433 PolarHBondContact O-N 3.34Å; F421-L619 HydrophobicContact CE1-CD1 4.24Å; F421-L619 HydrophobicContact CZ-CD1 4.02Å
422	G	98.7	Very high	85.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	162.7	174.6	0	0	0	0	0	111.6	V357 A358 C431 L635	V357-G422 WeakPolarHBondContact CA-O 3.37Å; A358-G422 PolarHBondContact N-O 3.16Å; A358-G422 PolarHBondContact O-N 2.89Å; G422-C431 CarbonylContact C-O 3.44Å; G422-C431 WeakPolarHBondContact CA-O 3.38Å; G422-L635 WeakPolarHBondContact O-CD2 3.5Å
423	S	98.9	Very high	88.4	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.8	171.9	61.1	0	0	0	0	111.4	H350 V356 C431 W433	H350-S423 PolarHBondContact CD2-OG 2.87Å; H350-S423 WeakPolarHBondContact NE2-CB 3.15Å; H350-S423 PolarHBondContact NE2-OG 3.04Å; V356-S423 CarbonylContact O-C 3.47Å; V356-S423 WeakPolarHBondContact O-CA 3.32Å; S423-C431 PolarHBondContact N-O 3.42Å; S423-C431 PolarHBondContact O-N 2.82Å; S423-W433 PolarHBondContact OG-NE1 2.91Å
424	V	98.8	Very high	91	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.5	174.3	-64.7	0	0	0	0	110.7	N355 V356 Q429 F430 L632 L635	N355-V424 PolarHBondContact N-O 3.44Å; V356-V424 HydrophobicContact CB-CG2 3.7Å; V356-V424 HydrophobicContact CG2-CG2 4.04Å; V356-V424 PolarHBondContact N-O 3.21Å; V356-V424 VanDerWaalsContact N-O 3.16Å; V356-V424 PolarHBondContact O-N 2.85Å; V424-Q429 WeakPolarHBondContact CA-O 3.41Å; V424-F430 HydrophobicContact CG1-CB 4.17Å; V424-F430 HydrophobicContact CG1-CD2 3.81Å; V424-L632 HydrophobicContact CB-CB 3.62Å; V424-L632 HydrophobicContact CB-CD1 3.74Å; V424-L632 HydrophobicContact CB-CG 4.29Å; V424-L632 HydrophobicContact CG1-CB 4.33Å; V424-L632 HydrophobicContact CG1-CD1 3.81Å; V424-L632 HydrophobicContact CG2-CB 3.88Å; V424-L635 HydrophobicContact CG1-CB 4.17Å; V424-L635 HydrophobicContact CG1-CD2 4.38Å; V424-L635 HydrophobicContact CG2-CB 3.95Å
425	G	97.5	Very high	93.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	175	-170.8	0	0	0	0	0	115.5	W353 D427 T428 Q429 L632	W353-G425 CarbonylContact O-C 3.46Å; W353-G425 WeakPolarHBondContact O-CA 3.29Å; G425-D427 WeakPolarHBondContact CA-OD1 3.26Å; G425-D427 PolarHBondContact O-N 3.49Å; G425-T428 PolarHBondContact O-N 2.98Å; G425-Q429 PolarHBondContact N-O 2.93Å; G425-L632 PolarHBondContact O-N 3.18Å
426	Q	97.9	Very high	94.8	Very high	62 Å²	62	13.9 Å²	13.9	29%	0.29	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.3	169.7	-66.5	-172	18.5	0	0	112.8	W353 N355 T428 R631	W353-Q426 HydrophobicContact CB-CG 4.11Å; W353-Q426 PolarHBondContact O-N 2.5Å; N355-Q426 WeakPolarHBondContact ND2-CG 3.06Å; N355-Q426 WeakPolarHBondContact OD1-CG 3.29Å; N355-Q426 PolarHBondContact OD1-NE2 3.36Å; Q426-T428 PolarHBondContact O-N 2.87Å; Q426-R631 HydrophobicContact CB-CB 4.41Å; Q426-R631 HydrophobicContact CG-CB 4.49Å
427	D	97.3	Very high	95.5	Very high	21 Å²	21	12 Å²	12	11%	0.112	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	6.2	175.1	65	-8.1	0	0	0	114.1	H350 K351 G425 Q429	H350-D427 WeakPolarHBondContact CA-OD2 3.47Å; H350-D427 WeakPolarHBondContact CB-OD2 3.19Å; H350-D427 IonicContact CE1-OD1 2.93Å; H350-D427 IonicContact CG-OD2 3.25Å; H350-D427 IonicContact ND1-OD1 2.65Å; H350-D427 PolarHBondContact ND1-OD1 2.86Å; H350-D427 IonicContact ND1-OD2 3.21Å; H350-D427 PolarHBondContact ND1-OD2 2.5Å; H350-D427 VanDerWaalsContact ND1-OD2 3.11Å; K351-D427 HydrophobicContact CB-CB 4.1Å; K351-D427 PolarHBondContact N-OD2 3.33Å; G425-D427 WeakPolarHBondContact CA-OD1 3.26Å; G425-D427 PolarHBondContact O-N 3.49Å; D427-Q429 PolarHBondContact O-N 2.99Å; D427-Q429 PolarHBondContact OD1-N 2.7Å; D427-Q429 VanDerWaalsContact OD1-N 3.13Å; D427-Q429 PolarHBondContact OD2-NE2 3.29Å; D427-Q429 VanDerWaalsContact OD2-NE2 3.16Å
428	T	97.4	Very high	96	Very high	13 Å²	13	16.7 Å²	16.7	8%	0.08	9%	0.088	C	C	.	.	S	Bend	trans	65.3	14.9	179.3	73.8	0	0	0	0	114.1	G425 Q426 K626 I627 A628 E630	G425-T428 PolarHBondContact O-N 2.98Å; Q426-T428 PolarHBondContact O-N 2.87Å; T428-K626 WeakPolarHBondContact OG1-CE 3.21Å; T428-I627 PolarHBondContact O-N 3.27Å; T428-A628 VanDerWaalsContact CB-O 3.32Å; T428-A628 WeakPolarHBondContact CB-O 3.34Å; T428-A628 PolarHBondContact OG1-O 3.32Å; T428-E630 WeakPolarHBondContact CG2-O 3.49Å
429	Q	97.4	Very high	96	Very high	21 Å²	21	17.2 Å²	17.2	10%	0.098	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143.9	-176.3	-69.3	170.7	76	0	0	112.1	H350 V424 G425 D427 C624 K625 K626 L632	H350-Q429 PolarHBondContact CE1-O 3.14Å; V424-Q429 WeakPolarHBondContact CA-O 3.41Å; G425-Q429 PolarHBondContact N-O 2.93Å; D427-Q429 PolarHBondContact O-N 2.99Å; D427-Q429 PolarHBondContact OD1-N 2.7Å; D427-Q429 VanDerWaalsContact OD1-N 3.13Å; D427-Q429 PolarHBondContact OD2-NE2 3.29Å; D427-Q429 VanDerWaalsContact OD2-NE2 3.16Å; Q429-C624 PolarHBondContact OE1-SG 2.83Å; Q429-K625 CarbonylContact C-O 3.54Å; Q429-K625 VanDerWaalsContact CA-O 3.24Å; Q429-K625 WeakPolarHBondContact CA-O 3.38Å; Q429-K626 HydrophobicContact CG-CB 4.36Å; Q429-L632 WeakPolarHBondContact O-CD1 3.38Å
430	F	98.3	Very high	95.6	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.009	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.8	164.4	168.3	-103.9	0	0	0	109	F18 V424 L432 V623 C624 K625 I627 L635 F637 I642	F18-F430 HydrophobicContact CE1-CD1 4.17Å; F18-F430 AromaticContact CE1-CE1 3.95Å; F18-F430 HydrophobicContact CE1-CE1 3.95Å; F18-F430 AromaticContact CE2-CE1 3.93Å; F18-F430 HydrophobicContact CE2-CE1 3.93Å; F18-F430 HydrophobicContact CZ-CD1 4.21Å; F18-F430 AromaticContact CZ-CE1 3.53Å; F18-F430 HydrophobicContact CZ-CE1 3.53Å; F18-F430 HydrophobicContact CZ-CZ 4.2Å; V424-F430 HydrophobicContact CG1-CB 4.17Å; V424-F430 HydrophobicContact CG1-CD2 3.81Å; F430-L432 HydrophobicContact CE1-CB 4.05Å; F430-L432 HydrophobicContact CZ-CB 4.13Å; F430-L432 HydrophobicContact CZ-CD1 3.9Å; F430-L432 HydrophobicContact CZ-CG 4.46Å; F430-V623 HydrophobicContact CD1-CG1 4.22Å; F430-V623 HydrophobicContact CE1-CG1 4.35Å; F430-C624 WeakPolarHBondContact O-CA 3.29Å; F430-K625 PolarHBondContact N-O 2.83Å; F430-K625 PolarHBondContact O-N 3.16Å; F430-I627 HydrophobicContact CB-CD1 3.62Å; F430-I627 HydrophobicContact CB-CG1 3.96Å; F430-I627 HydrophobicContact CB-CG2 4.24Å; F430-I627 HydrophobicContact CG-CD1 4.46Å; F430-L635 HydrophobicContact CD2-CD1 4.08Å; F430-L635 HydrophobicContact CE2-CD1 3.68Å; F430-L635 HydrophobicContact CE2-CD2 4.25Å; F430-F637 HydrophobicContact CE2-CZ 4.47Å; F430-I642 HydrophobicContact CZ-CD1 4.33Å
431	C	98.6	Very high	94.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.4	171.7	-62.7	0	0	0	0	110.8	H350 G422 S423 W433 P621 V623	H350-C431 VanDerWaalsContact CE1-SG 3.58Å; H350-C431 PolarHBondContact NE2-SG 2.77Å; G422-C431 CarbonylContact C-O 3.44Å; G422-C431 WeakPolarHBondContact CA-O 3.38Å; S423-C431 PolarHBondContact N-O 3.42Å; S423-C431 PolarHBondContact O-N 2.82Å; C431-W433 HydrophobicContact CB-CH2 4.41Å; C431-W433 HydrophobicContact CB-CZ2 3.46Å; C431-W433 VanDerWaalsContact CB-CZ2 3.46Å; C431-P621 HydrophobicContact CB-CB 4.18Å; C431-V623 CarbonylContact C-O 3.54Å; C431-V623 WeakPolarHBondContact CA-O 3.41Å
432	L	98.4	Very high	93.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.3	174	-165.1	61.7	0	0	0	109	T20 R420 F430 P621 L622 V623 F637	T20-L432 HydrophobicContact CG2-CD2 3.65Å; R420-L432 HydrophobicContact CG-CD1 3.71Å; R420-L432 HydrophobicContact CG-CG 4.17Å; F430-L432 HydrophobicContact CE1-CB 4.05Å; F430-L432 HydrophobicContact CZ-CB 4.13Å; F430-L432 HydrophobicContact CZ-CD1 3.9Å; F430-L432 HydrophobicContact CZ-CG 4.46Å; L432-P621 CarbonylContact O-C 3.48Å; L432-P621 WeakPolarHBondContact O-CA 3.49Å; L432-L622 HydrophobicContact CD2-CD2 4.35Å; L432-L622 WeakPolarHBondContact O-CB 3.23Å; L432-L622 PolarHBondContact O-N 3.08Å; L432-V623 HydrophobicContact CB-CB 3.83Å; L432-V623 HydrophobicContact CB-CG2 4.13Å; L432-V623 HydrophobicContact CD2-CG2 4.17Å; L432-V623 PolarHBondContact N-O 2.96Å; L432-V623 PolarHBondContact O-N 3.07Å; L432-F637 HydrophobicContact CD1-CE1 4.32Å; L432-F637 HydrophobicContact CD1-CZ 4.03Å
433	W	98.1	Very high	91.8	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.8	-169.8	-44.8	89.1	0	0	0	109.5	V333 R420 F421 S423 C431 L619 P621	V333-W433 HydrophobicContact CG1-CZ2 4.18Å; V333-W433 HydrophobicContact CG2-CD2 4.03Å; V333-W433 HydrophobicContact CG2-CE3 4.26Å; V333-W433 HydrophobicContact CG2-CH2 3.96Å; V333-W433 HydrophobicContact CG2-CZ2 3.7Å; V333-W433 HydrophobicContact CG2-CZ3 4.22Å; R420-W433 WeakPolarHBondContact CA-O 3.17Å; F421-W433 HydrophobicContact CD1-CB 3.88Å; F421-W433 HydrophobicContact CD2-CB 4.14Å; F421-W433 AromaticContact CD2-CD1 3.54Å; F421-W433 HydrophobicContact CD2-CG 4.06Å; F421-W433 HydrophobicContact CE1-CB 3.45Å; F421-W433 VanDerWaalsContact CE1-CB 3.45Å; F421-W433 HydrophobicContact CE1-CG 4.18Å; F421-W433 HydrophobicContact CE2-CB 3.74Å; F421-W433 AromaticContact CE2-CD1 3.3Å; F421-W433 HydrophobicContact CE2-CD2 4.3Å; F421-W433 AromaticContact CE2-CG 3.52Å; F421-W433 HydrophobicContact CE2-CG 3.52Å; F421-W433 AromaticContact CE2-NE1 3.97Å; F421-W433 HydrophobicContact CG-CB 4.2Å; F421-W433 HydrophobicContact CZ-CB 3.38Å; F421-W433 AromaticContact CZ-CD1 3.88Å; F421-W433 HydrophobicContact CZ-CD2 4.32Å; F421-W433 AromaticContact CZ-CG 3.59Å; F421-W433 HydrophobicContact CZ-CG 3.59Å; F421-W433 PolarHBondContact N-O 3.16Å; F421-W433 VanDerWaalsContact N-O 3.08Å; F421-W433 VanDerWaalsContact O-CD1 3.31Å; F421-W433 PolarHBondContact O-N 3.34Å; S423-W433 PolarHBondContact OG-NE1 2.91Å; C431-W433 HydrophobicContact CB-CH2 4.41Å; C431-W433 HydrophobicContact CB-CZ2 3.46Å; C431-W433 VanDerWaalsContact CB-CZ2 3.46Å; W433-L619 HydrophobicContact CE3-CB 4.03Å; W433-L619 HydrophobicContact CZ3-CB 4.36Å; W433-P621 HydrophobicContact CD2-CB 4.33Å; W433-P621 HydrophobicContact CE3-CB 3.96Å; W433-P621 HydrophobicContact CH2-CB 3.93Å; W433-P621 HydrophobicContact CH2-CG 4.22Å; W433-P621 HydrophobicContact CZ2-CB 4.28Å; W433-P621 HydrophobicContact CZ3-CB 3.76Å; W433-P621 HydrophobicContact CZ3-CG 4.14Å
434	D	95.9	Very high	89.4	Confident	35 Å²	35	43.6 Å²	43.6	19%	0.187	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.7	169.3	-77.2	-7.5	0	0	0	108.7	R21 Y419 R420	R21-D434 IonicContact NH1-OD2 3.99Å; Y419-D434 WeakPolarHBondContact O-CA 3.28Å; R420-D434 IonicContact CZ-OD1 3.19Å; R420-D434 VanDerWaalsContact CZ-OD1 3.23Å; R420-D434 IonicContact NE-OD1 3.65Å; R420-D434 PolarHBondContact NE-OD1 2.93Å; R420-D434 IonicContact NH2-OD1 2.89Å; R420-D434 PolarHBondContact NH2-OD1 3.32Å; R420-D434 IonicContact NH2-OD2 3.11Å; R420-D434 PolarHBondContact NH2-OD2 2.92Å; R420-D434 VanDerWaalsContact NH2-OD2 3.08Å
435	L	95	Very high	86.8	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	106.8	172.6	-178.4	68.9	0	0	0	107.6	Y323 V335 T418 Y419 V439 L440	Y323-L435 HydrophobicContact CG-CD2 4.46Å; V335-L435 HydrophobicContact CG1-CD2 3.79Å; T418-L435 WeakPolarHBondContact CA-O 3.36Å; Y419-L435 HydrophobicContact CD2-CB 4.5Å; Y419-L435 HydrophobicContact CD2-CD2 4.05Å; Y419-L435 HydrophobicContact CD2-CG 4.41Å; Y419-L435 PolarHBondContact N-O 3.4Å; Y419-L435 PolarHBondContact O-N 3.32Å; L435-V439 HydrophobicContact CD1-CB 4.04Å; L435-V439 HydrophobicContact CD1-CG1 3.62Å; L435-L440 HydrophobicContact CD1-CD2 3.79Å; L435-L440 HydrophobicContact CD1-CG 4.16Å; L435-L440 HydrophobicContact CD2-CD2 3.6Å; L435-L440 HydrophobicContact CD2-CG 4.32Å; L435-L440 HydrophobicContact CG-CD1 4.24Å; L435-L440 HydrophobicContact CG-CD2 3.62Å; L435-L440 HydrophobicContact CG-CG 3.87Å
436	T	91.8	Very high	84.4	Confident	38 Å²	38	56.9 Å²	56.9	23%	0.233	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	165.4	-172.6	43.4	0	0	0	0	111.4	D438 V439 L440	T436-D438 WeakPolarHBondContact CB-OD1 3.24Å; T436-D438 PolarHBondContact O-N 3.4Å; T436-D438 VanDerWaalsContact O-N 3.16Å; T436-D438 PolarHBondContact OG1-OD1 3.13Å; T436-V439 WeakPolarHBondContact O-CB 3.16Å; T436-V439 PolarHBondContact O-N 3.48Å; T436-L440 PolarHBondContact O-N 3.43Å
437	D	87.8	Confident	81.8	Confident	31 Å²	31	59.8 Å²	59.8	17%	0.166	32%	0.316	C	S	.	.	H	α-helix	trans	-55.4	-31.4	-177.3	-72	-24.3	0	0	0	115	S416 V417 V439 L440 Y441	S416-D437 WeakPolarHBondContact CA-OD2 3.49Å; S416-D437 WeakPolarHBondContact CB-OD2 3.31Å; V417-D437 WeakPolarHBondContact CB-OD1 3.17Å; V417-D437 PolarHBondContact N-OD1 3.06Å; V417-D437 PolarHBondContact N-OD2 2.72Å; V417-D437 PolarHBondContact O-N 2.93Å; D437-V439 VanDerWaalsContact C-N 3.28Å; D437-V439 PolarHBondContact O-N 3.28Å; D437-L440 PolarHBondContact O-N 3.34Å; D437-Y441 HydrophobicContact CB-CD2 4.26Å; D437-Y441 CarbonylContact O-C 3.42Å; D437-Y441 VanDerWaalsContact O-CA 3.29Å; D437-Y441 WeakPolarHBondContact O-CA 3.37Å; D437-Y441 WeakPolarHBondContact O-CB 3.28Å; D437-Y441 PolarHBondContact O-N 3.36Å
438	D	87.1	Confident	79.2	Confident	112 Å²	112	69.2 Å²	69.2	60%	0.599	35%	0.35	S	S	*	.	H	α-helix	trans	-67.2	-31	176.6	61.8	-49.7	0	0	0	112.5	T436 P442	T436-D438 WeakPolarHBondContact CB-OD1 3.24Å; T436-D438 PolarHBondContact O-N 3.4Å; T436-D438 VanDerWaalsContact O-N 3.16Å; T436-D438 PolarHBondContact OG1-OD1 3.13Å; D438-P442 WeakPolarHBondContact O-CA 3.35Å
439	V	89.7	Confident	76.3	Confident	20 Å²	20	73 Å²	73	12%	0.121	38%	0.383	C	S	.	.	H	α-helix	trans	-79.8	-43.3	173.6	-179	0	0	0	0	110.9	A345 L435 T436 D437 P617 L619	A345-V439 HydrophobicContact CB-CG1 3.79Å; L435-V439 HydrophobicContact CD1-CB 4.04Å; L435-V439 HydrophobicContact CD1-CG1 3.62Å; T436-V439 WeakPolarHBondContact O-CB 3.16Å; T436-V439 PolarHBondContact O-N 3.48Å; D437-V439 VanDerWaalsContact C-N 3.28Å; D437-V439 PolarHBondContact O-N 3.28Å; V439-P617 HydrophobicContact CG1-CB 4Å; V439-P617 HydrophobicContact CG1-CG 4.3Å; V439-L619 HydrophobicContact CG1-CD2 3.96Å; V439-L619 HydrophobicContact CG2-CD2 3.94Å
440	L	87.4	Confident	73.4	Confident	5 Å²	5	81.3 Å²	81.3	3%	0.026	42%	0.419	C	S	.	.	H	α-helix	trans	-69.8	-39	-178.6	-67.9	176.1	0	0	0	112.3	Y323 Y419 L435 T436 D437 P442	Y323-L440 HydrophobicContact CD1-CD2 4.3Å; Y323-L440 HydrophobicContact CE1-CD2 3.52Å; Y323-L440 HydrophobicContact CE2-CD1 4.35Å; Y323-L440 HydrophobicContact CE2-CD2 4.13Å; Y323-L440 VanDerWaalsContact CZ-CD2 3.42Å; Y323-L440 WeakPolarHBondContact OH-CD2 3.41Å; Y419-L440 HydrophobicContact CD2-CD1 4.1Å; Y419-L440 HydrophobicContact CE2-CD1 3.81Å; L435-L440 HydrophobicContact CD1-CD2 3.79Å; L435-L440 HydrophobicContact CD1-CG 4.16Å; L435-L440 HydrophobicContact CD2-CD2 3.6Å; L435-L440 HydrophobicContact CD2-CG 4.32Å; L435-L440 HydrophobicContact CG-CD1 4.24Å; L435-L440 HydrophobicContact CG-CD2 3.62Å; L435-L440 HydrophobicContact CG-CG 3.87Å; T436-L440 PolarHBondContact O-N 3.43Å; D437-L440 PolarHBondContact O-N 3.34Å; L440-P442 VanDerWaalsContact C-CD 3.49Å; L440-P442 WeakPolarHBondContact O-CD 3.33Å
441	Y	82.7	Confident	70.3	Confident	104 Å²	104	87 Å²	87	41%	0.408	46%	0.455	S	S	.	.			trans	-130.9	68.2	-173.3	-50.1	-68.8	0	0	0	111.1	D437 R443 L444	D437-Y441 HydrophobicContact CB-CD2 4.26Å; D437-Y441 CarbonylContact O-C 3.42Å; D437-Y441 VanDerWaalsContact O-CA 3.29Å; D437-Y441 WeakPolarHBondContact O-CA 3.37Å; D437-Y441 WeakPolarHBondContact O-CB 3.28Å; D437-Y441 PolarHBondContact O-N 3.36Å; Y441-R443 PolarHBondContact O-N 3.35Å; Y441-L444 PolarHBondContact O-N 3.11Å
442	P	71.1	Confident	67.2	Low	94 Å²	94	93.6 Å²	93.6	61%	0.61	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	5.6	-178.5	25.9	-34.8	0	0	0	114.5	D438 L440	D438-P442 WeakPolarHBondContact O-CA 3.35Å; L440-P442 VanDerWaalsContact C-CD 3.49Å; L440-P442 WeakPolarHBondContact O-CD 3.33Å
443	R	60.3	Low	64.1	Low	233 Å²	233	99.8 Å²	99.8	88%	0.879	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	0.5	-175.3	-70.1	-69.3	-151.7	168.4	5.7	114.7	Y441 P445	Y441-R443 PolarHBondContact O-N 3.35Å; R443-P445 VanDerWaalsContact O-CD 3.24Å; R443-P445 WeakPolarHBondContact O-CD 3.29Å
444	L	49.3	Very low	61.1	Low	123 Å²	123	108.8 Å²	108.8	64%	0.644	57%	0.567	S	S	*	*			trans	-77.9	115.2	175	-70	168.9	0	0	0	109.8	Y441 L446	Y441-L444 PolarHBondContact O-N 3.11Å; L444-L446 PolarHBondContact O-N 2.83Å; L444-L446 VanDerWaalsContact O-N 3.16Å
445	P	43.3	Very low	58	Low	113 Å²	113	110.5 Å²	110.5	73%	0.734	59%	0.593	S	S	*	*			trans	-65.8	118.5	172.9	25.3	-29.8	0	0	0	108.9	R443 S447	R443-P445 VanDerWaalsContact O-CD 3.24Å; R443-P445 WeakPolarHBondContact O-CD 3.29Å; P445-S447 PolarHBondContact O-N 3.37Å
446	L	48.4	Very low	55.6	Low	165 Å²	165	116.1 Å²	116.1	86%	0.864	63%	0.629	S	S	*	*			trans	-53.9	108.5	168.3	-71.7	166.1	0	0	0	108.4	L444 R448	L444-L446 PolarHBondContact O-N 2.83Å; L444-L446 VanDerWaalsContact O-N 3.16Å; L446-R448 VanDerWaalsContact C-N 3.27Å; L446-R448 PolarHBondContact O-N 3.33Å
447	S	43.6	Very low	52.8	Low	123 Å²	123	119.6 Å²	119.6	86%	0.86	66%	0.655	S	S	*	*			trans	-68.4	89	171	-70.5	0	0	0	0	108.1	P445 A449	P445-S447 PolarHBondContact O-N 3.37Å; S447-A449 PolarHBondContact O-N 3.09Å; S447-A449 VanDerWaalsContact O-N 3.14Å
448	R	41.3	Very low	50.2	Low	219 Å²	219	125.7 Å²	125.7	83%	0.826	69%	0.687	S	S	*	*			trans	-65.1	113.1	167.4	-83.6	-171.5	-177.5	-160.8	1.4	107.7	L446 F450	L446-R448 VanDerWaalsContact C-N 3.27Å; L446-R448 PolarHBondContact O-N 3.33Å; R448-F450 PolarHBondContact O-N 2.78Å; R448-F450 VanDerWaalsContact O-N 3.09Å
449	A	36.8	Very low	48.1	Very low	94 Å²	94	126.4 Å²	126.4	78%	0.777	70%	0.698	S	S	*	*			trans	-58.2	113.1	164.1	0	0	0	0	0	108.5	S447 T451	S447-A449 PolarHBondContact O-N 3.09Å; S447-A449 VanDerWaalsContact O-N 3.14Å; A449-T451 PolarHBondContact O-N 3.05Å
450	F	36.5	Very low	45.2	Very low	195 Å²	195	132.1 Å²	132.1	86%	0.855	73%	0.728	S	S	*	*			trans	-66.7	109.5	166.3	-88.3	-90	0	0	0	107.8	R448 N452	R448-F450 PolarHBondContact O-N 2.78Å; R448-F450 VanDerWaalsContact O-N 3.09Å; F450-N452 PolarHBondContact O-N 3.22Å; F450-N452 VanDerWaalsContact O-N 3.14Å
451	T	34	Very low	42.7	Very low	122 Å²	122	136.8 Å²	136.8	75%	0.748	76%	0.76	S	S	*	*			trans	-74	97.5	163.5	50.8	0	0	0	0	107.7	A449 T453	A449-T451 PolarHBondContact O-N 3.05Å; T451-T453 PolarHBondContact O-N 3.47Å; T451-T453 VanDerWaalsContact O-N 3.12Å
452	N	32.6	Very low	40.2	Very low	138 Å²	138	135.7 Å²	135.7	74%	0.738	78%	0.781	S	S	*	*			trans	-67.4	103.1	164.1	-92.4	-4.9	0	0	0	108.5	F450 F454	F450-N452 PolarHBondContact O-N 3.22Å; F450-N452 VanDerWaalsContact O-N 3.14Å; N452-F454 PolarHBondContact O-N 2.8Å
453	T	33	Very low	38.4	Very low	131 Å²	131	137.3 Å²	137.3	80%	0.804	80%	0.795	S	S	*	*			trans	-77.7	105.2	169.2	-34.5	0	0	0	0	108.3	T451 G455	T451-T453 PolarHBondContact O-N 3.47Å; T451-T453 VanDerWaalsContact O-N 3.12Å; T453-G455 PolarHBondContact O-N 2.82Å
454	F	35.7	Very low	37	Very low	190 Å²	190	130.2 Å²	130.2	83%	0.833	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-60.8	118.4	164.3	-78.6	-93.1	0	0	0	109	N452	N452-F454 PolarHBondContact O-N 2.8Å
455	G	31.2	Very low	36.1	Very low	70 Å²	70	128 Å²	128	72%	0.722	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-84.6	138.5	169.3	0	0	0	0	0	111	T453	T453-G455 PolarHBondContact O-N 2.82Å
456	P	45	Very low	35.6	Very low	118 Å²	118	129 Å²	129	77%	0.766	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-93.4	133.1	174.2	34	-28.3	0	0	0	112.2
457	S	32.7	Very low	34.8	Very low	111 Å²	111	128.2 Å²	128.2	78%	0.776	80%	0.801	S	S	*	*			trans	52.9	122.7	140.1	59.9	0	0	0	0	121.9
458	L	33	Very low	34.3	Very low	160 Å²	160	126.9 Å²	126.9	84%	0.838	79%	0.792	S	S	*	*			trans	-49.5	159.3	154.7	-94.9	79.4	0	0	0	113.4
459	P	42	Very low	33.9	Very low	126 Å²	126	122 Å²	122	82%	0.818	79%	0.792	S	S	*	*				-136.1	138.9	106.2	35	-22.1	0	0	0	115.9
460	N	30.3	Very low	33.8	Very low	141 Å²	141	123 Å²	123	75%	0.754	79%	0.793	S	S	*	*			trans	32.2	119.7	140.2	-127.7	29.6	0	0	0	123.5
461	S	34.2	Very low	33.6	Very low	102 Å²	102	117.7 Å²	117.7	71%	0.713	79%	0.794	S	S	*	*				57.3	120	126.9	63	0	0	0	0	122
462	G	29.9	Very low	33.5	Very low	82 Å²	82	115.6 Å²	115.6	85%	0.845	80%	0.796	S	S	*	*			trans	-167.7	103.1	156.9	0	0	0	0	0	111
463	S	33.8	Very low	33.4	Very low	128 Å²	128	113 Å²	113	90%	0.895	80%	0.802	S	S	*	*			trans	-77.6	146.1	177.4	52.5	0	0	0	0	113
464	G	30.6	Very low	33.4	Very low	83 Å²	83	110.4 Å²	110.4	86%	0.856	80%	0.801	S	S	*	*			trans	148.4	129.3	148.9	0	0	0	0	0	116.3
465	G	30.3	Very low	33.4	Very low	78 Å²	78	109.9 Å²	109.9	80%	0.804	81%	0.805	S	S	*	*			trans	113.7	87.3	137.9	0	0	0	0	0	119
466	V	32.1	Very low	33.5	Very low	134 Å²	134	110 Å²	110	81%	0.812	81%	0.807	S	S	*	*			trans	-28.2	136.3	144.2	-97.2	0	0	0	0	116.3
467	N	32.3	Very low	32.9	Very low	147 Å²	147	108 Å²	108	79%	0.786	81%	0.807	S	S	*	*				169.8	123.4	102.2	-105.9	-8.2	0	0	0	114.9
468	S	32.1	Very low	33.1	Very low	96 Å²	96	108.3 Å²	108.3	67%	0.671	80%	0.804	S	S	*	*				40.7	147.5	129.4	61.8	0	0	0	0	125.3
469	S	33.3	Very low	33.1	Very low	116 Å²	116	109.8 Å²	109.8	81%	0.811	81%	0.807	S	S	*	*			trans	94.3	134.7	152.6	79	0	0	0	0	116.1
470	S	35.2	Very low	32.7	Very low	114 Å²	114	107.3 Å²	107.3	80%	0.797	80%	0.804	S	S	*	*			cis	-174	147.8	10.7	40.6	0	0	0	0	110.7
471	G	32.1	Very low	32.7	Very low	85 Å²	85	108.9 Å²	108.9	88%	0.876	81%	0.806	S	S	*	*			trans	78.3	136.6	144.5	0	0	0	0	0	117.5
472	G	31.8	Very low	32.7	Very low	78 Å²	78	113.3 Å²	113.3	80%	0.804	82%	0.815	S	S	*	*			cis	160	150.2	5.4	0	0	0	0	0	110.4
473	G	31.2	Very low	32.9	Very low	83 Å²	83	117.5 Å²	117.5	86%	0.856	81%	0.812	S	S	*	*			trans	81.2	115.3	166.9	0	0	0	0	0	114.7
474	G	32.4	Very low	33.9	Very low	76 Å²	76	117 Å²	117	78%	0.784	81%	0.806	S	S	*	*				94.2	139.8	59.3	0	0	0	0	0	108.4
475	I	35.8	Very low	35.1	Very low	179 Å²	179	118.9 Å²	118.9	92%	0.918	80%	0.803	S	S	*	*			cis	-169	150.3	21.6	-55.6	178	0	0	0	107.3
476	G	33.1	Very low	35.2	Very low	74 Å²	74	118.9 Å²	118.9	76%	0.763	80%	0.803	S	S	*	*			trans	97.8	113	153.4	0	0	0	0	0	115.2
477	G	32.7	Very low	35.3	Very low	74 Å²	74	117 Å²	117	76%	0.763	80%	0.802	S	S	*	*				95.6	135.9	54.5	0	0	0	0	0	108.4
478	V	37.3	Very low	35.3	Very low	119 Å²	119	116.9 Å²	116.9	72%	0.721	80%	0.801	S	S	*	*			cis	-167.7	148.5	13.4	-155.7	0	0	0	0	107.4
479	E	33.3	Very low	35.4	Very low	191 Å²	191	118.5 Å²	118.5	89%	0.893	81%	0.807	S	S	*	*			trans	49.5	146.7	143.4	-76.7	159.3	-169.1	0	0	123
480	G	32.6	Very low	35.2	Very low	73 Å²	73	116.8 Å²	116.8	75%	0.753	81%	0.808	S	S	*	*			cis	-172.5	165.2	17.8	0	0	0	0	0	115.1
481	H	31.7	Very low	35.1	Very low	174 Å²	174	117.4 Å²	117.4	81%	0.806	81%	0.812	S	S	*	*			trans	-79.3	155.5	175.3	-75.1	-83.7	0	0	0	112.3
482	H	33.5	Very low	35.2	Very low	196 Å²	196	118.1 Å²	118.1	91%	0.907	81%	0.81	S	S	*	*				-170.6	126.2	123.6	-99.4	-66.2	0	0	0	113.1
483	H	34.7	Very low	35.4	Very low	169 Å²	169	121.7 Å²	121.7	78%	0.782	81%	0.811	S	S	*	*			trans	-81.1	168.7	165.3	-98	-59.6	0	0	0	110.4
484	P	53.1	Low	35.8	Very low	117 Å²	117	123.2 Å²	123.2	76%	0.76	81%	0.805	S	S	*	*				-156.1	-156.5	64	49.5	-25.9	0	0	0	114.9
485	P	57.2	Low	36.1	Very low	124 Å²	124	125.2 Å²	125.2	81%	0.805	81%	0.805	S	S	*	*				-130.3	176.8	-113	31.3	-6	0	0	0	116.1
486	G	31.8	Very low	36	Very low	78 Å²	78	123.1 Å²	123.1	80%	0.804	80%	0.8	S	S	*	*			trans	175.4	117.3	164	0	0	0	0	0	114.2
487	A	34.5	Very low	36.1	Very low	95 Å²	95	127.6 Å²	127.6	79%	0.785	81%	0.806	S	S	*	*			trans	-61.4	160.8	-178	0	0	0	0	0	113.7
488	N	31.2	Very low	36.4	Very low	143 Å²	143	129.7 Å²	129.7	77%	0.765	81%	0.806	S	S	*	*				-173.9	156.1	50.9	-138.9	-1.5	0	0	0	112.8
489	T	34.2	Very low	36.2	Very low	131 Å²	131	132 Å²	132	80%	0.804	81%	0.813	S	S	*	*			trans	68	123.8	154.1	64.4	0	0	0	0	123.3
490	G	30.4	Very low	36.4	Very low	80 Å²	80	128.7 Å²	128.7	83%	0.825	81%	0.808	S	S	*	*				122.8	97	127.9	0	0	0	0	0	118.7
491	S	32.8	Very low	36.4	Very low	127 Å²	127	133 Å²	133	89%	0.888	81%	0.813	S	S	*	*			trans	-26	132.7	161.9	173.5	0	0	0	0	118.4
492	A	33.4	Very low	36.8	Very low	99 Å²	99	130 Å²	130	82%	0.818	81%	0.809	S	S	*	*			trans	-162.2	134.9	146.6	0	0	0	0	0	113.5
493	N	36.1	Very low	36.7	Very low	154 Å²	154	133.1 Å²	133.1	82%	0.824	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-62.3	164.7	173.9	-86.6	-29.2	0	0	0	114.3
494	P	39.8	Very low	36.7	Very low	114 Å²	114	129.9 Å²	129.9	74%	0.74	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-76.2	147.5	-170.3	31.1	-35.1	0	0	0	113.2
495	P	39.2	Very low	35.6	Very low	119 Å²	119	132 Å²	132	77%	0.773	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-85.5	123.7	178.2	32.4	-29.9	0	0	0	111.6
496	T	32.7	Very low	34.3	Very low	134 Å²	134	131.2 Å²	131.2	82%	0.822	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-64.4	125.3	159.7	48	0	0	0	0	110.3
497	L	35.3	Very low	34.2	Very low	169 Å²	169	139 Å²	139	89%	0.885	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-89.4	126.5	168.4	-74.6	172.7	0	0	0	110.2
498	P	39.5	Very low	34	Very low	118 Å²	118	139.5 Å²	139.5	77%	0.766	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-92.1	149.2	-179.4	34.3	-30.9	0	0	0	112.9
499	L	32.9	Very low	33.9	Very low	168 Å²	168	140.6 Å²	140.6	88%	0.88	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-60.7	152.2	167.1	-72.1	103.3	0	0	0	112
500	P	37.2	Very low	33.8	Very low	120 Å²	120	139.2 Å²	139.2	78%	0.779	82%	0.815	S	S	*	*			trans	-105.8	134.2	170.8	35.7	-25.7	0	0	0	112.9
501	L	32.8	Very low	33.9	Very low	165 Å²	165	143.1 Å²	143.1	86%	0.864	82%	0.816	S	S	*	*			trans	-159.9	161.9	156.9	-94.5	149.5	0	0	0	106.9
502	P	40.6	Very low	34.3	Very low	111 Å²	111	142.5 Å²	142.5	72%	0.721	81%	0.81	S	S	*	*				-117.4	157.9	-55.2	24.6	-6.3	0	0	0	110.8
503	R	32	Very low	34.1	Very low	260 Å²	260	146.5 Å²	146.5	98%	0.981	81%	0.811	S	S	*	*			trans	-101	99.2	170.6	-73.6	-171.9	178.2	124.8	0.3	110.5
504	S	33	Very low	34.1	Very low	102 Å²	102	145 Å²	145	71%	0.713	81%	0.81	S	S	*	*			trans	-95.4	133.5	143.3	163.6	0	0	0	0	106.5
505	L	30.3	Very low	33.6	Very low	162 Å²	162	143.8 Å²	143.8	85%	0.848	81%	0.809	S	S	*	*			trans	-178.6	123.1	137.7	-94.5	171	0	0	0	110
506	S	30	Very low	33.1	Very low	106 Å²	106	144.9 Å²	144.9	74%	0.741	81%	0.813	S	S	*	*			trans	-39.1	138.3	164.8	-44.4	0	0	0	0	113.4
507	R	30.7	Very low	33	Very low	241 Å²	241	142.6 Å²	142.6	91%	0.909	81%	0.808	S	S	*	*			trans	-119.3	101.9	161.2	-79.6	-168.5	175.7	-151.9	-1	110.7
508	S	30	Very low	32.8	Very low	106 Å²	106	142.6 Å²	142.6	74%	0.741	81%	0.809	S	S	*	*			trans	-53.6	134.7	153.7	-12	0	0	0	0	110.1
509	N	30.2	Very low	32.4	Very low	167 Å²	167	141.9 Å²	141.9	89%	0.893	81%	0.813	S	S	*	*			trans	-118.5	112.9	158.9	-89.6	-16.9	0	0	0	107.9
510	S	30.8	Very low	32.4	Very low	102 Å²	102	139.1 Å²	139.1	71%	0.713	81%	0.808	S	S	*	*			trans	-114.8	162.6	167	48.8	0	0	0	0	109.5
511	L	32.5	Very low	32.1	Very low	161 Å²	161	143.7 Å²	143.7	84%	0.843	82%	0.815	S	S	*	*			trans	116.8	147.3	163.9	-60.9	178.1	0	0	0	114.6
512	P	41.3	Very low	32	Very low	115 Å²	115	139.2 Å²	139.2	75%	0.747	81%	0.809	S	S	*	*			cis	-132.6	165.1	-32.5	34.3	-16.7	0	0	0	114
513	H	29.6	Very low	32.7	Very low	182 Å²	182	140.6 Å²	140.6	84%	0.843	82%	0.818	S	S	*	*			trans	-65.3	164	166.5	-82	-83.3	0	0	0	112.9
514	P	34.8	Very low	32.6	Very low	124 Å²	124	132.1 Å²	132.1	81%	0.805	81%	0.811	S	S	*	*				-121.5	138.9	120.5	33.8	-27.4	0	0	0	112
515	A	29.6	Very low	32.7	Very low	87 Å²	87	132.1 Å²	132.1	72%	0.719	82%	0.818	S	S	*	*			trans	-78.3	158.6	170.8	0	0	0	0	0	110.9
516	V	29.2	Very low	32.8	Very low	143 Å²	143	129.4 Å²	129.4	87%	0.867	81%	0.812	S	S	*	*				-177.5	129.5	116.3	165.9	0	0	0	0	111.4
517	A	31	Very low	32.9	Very low	86 Å²	86	133.9 Å²	133.9	71%	0.711	82%	0.821	S	S	*	*			trans	72.4	104	149.2	0	0	0	0	0	123.3
518	N	30	Very low	32.9	Very low	168 Å²	168	126.4 Å²	126.4	90%	0.898	82%	0.82	S	S	*	*				28.5	124.6	116.2	-84.5	-3	0	0	0	120.1
519	A	31	Very low	33	Very low	103 Å²	103	125.1 Å²	125.1	85%	0.851	82%	0.823	S	S	*	*				-167.6	128.8	106.7	0	0	0	0	0	111.6
520	S	33.4	Very low	33.1	Very low	111 Å²	111	121.3 Å²	121.3	78%	0.776	82%	0.823	S	S	*	*			trans	-86.4	144.8	166.9	48.3	0	0	0	0	110.7
521	K	30.6	Very low	33.2	Very low	215 Å²	215	120.7 Å²	120.7	94%	0.935	83%	0.833	S	S	*	*			trans	-174.6	140.5	135.9	-106.3	174.9	-178.1	-177.2	0	111.8
522	G	32.2	Very low	33.3	Very low	71 Å²	71	116.6 Å²	116.6	73%	0.732	83%	0.829	S	S	*	*			trans	-80.7	-159.3	-176.6	0	0	0	0	0	115.6
523	P	54.1	Low	32.9	Very low	141 Å²	141	115.3 Å²	115.3	92%	0.916	84%	0.838	S	S	*	*			trans	-96.8	162.9	-143.9	37.7	-35.8	0	0	0	114.7
524	G	29.8	Very low	33.1	Very low	81 Å²	81	110.4 Å²	110.4	84%	0.835	84%	0.836	S	S	*	*			trans	-159.2	133	172.4	0	0	0	0	0	112.3
525	A	34.8	Very low	33.1	Very low	103 Å²	103	108.7 Å²	108.7	85%	0.851	84%	0.841	S	S	*	*			trans	-90.1	156.1	-178.5	0	0	0	0	0	113.3
526	S	33	Very low	33.2	Very low	105 Å²	105	108.7 Å²	108.7	73%	0.734	85%	0.849	S	S	*	*			trans	167.2	117.7	137.5	73.9	0	0	0	0	108.7
527	E	33.1	Very low	33.4	Very low	199 Å²	199	105.9 Å²	105.9	93%	0.93	85%	0.849	S	S	*	*				81.8	134.1	97.5	-75.5	-161	142.5	0	0	117.4
528	G	30.9	Very low	33.7	Very low	85 Å²	85	108 Å²	108	88%	0.876	86%	0.859	S	S	*	*			trans	87.4	129.9	156.4	0	0	0	0	0	116.2
529	G	31.7	Very low	33.7	Very low	79 Å²	79	104 Å²	104	81%	0.814	86%	0.857	S	S	*	*			cis	162.4	158.5	6	0	0	0	0	0	109.7
530	G	31.8	Very low	33.7	Very low	86 Å²	86	102.9 Å²	102.9	89%	0.887	86%	0.856	S	S	*	*			trans	83.9	117.9	168.2	0	0	0	0	0	114.8
531	G	33.5	Very low	33.6	Very low	89 Å²	89	101.8 Å²	101.8	92%	0.918	86%	0.862	S	S	*	*			cis	115.5	136.2	49.8	0	0	0	0	0	106.7
532	G	33.4	Very low	33.5	Very low	75 Å²	75	95.7 Å²	95.7	77%	0.773	86%	0.86	S	S	*	*			cis	-175.1	172.8	-2.2	0	0	0	0	0	108.9
533	G	33.4	Very low	33.6	Very low	89 Å²	89	100 Å²	100	92%	0.918	87%	0.867	S	S	*	*			trans	73.1	135.3	159.4	0	0	0	0	0	117.7
534	G	34.4	Very low	32.4	Very low	79 Å²	79	98.9 Å²	98.9	81%	0.814	86%	0.862	S	S	*	*			cis	148.3	126.1	4.2	0	0	0	0	0	110.5
535	G	34.1	Very low	32.7	Very low	88 Å²	88	99.3 Å²	99.3	91%	0.907	86%	0.858	S	S	*	*			trans	73.6	135.6	157	0	0	0	0	0	117.3
536	G	32.9	Very low	33.5	Very low	86 Å²	86	99.1 Å²	99.1	89%	0.887	85%	0.848	S	S	*	*			cis	131.5	140.7	18.2	0	0	0	0	0	108.2
537	G	33	Very low	33.3	Very low	84 Å²	84	103 Å²	103	87%	0.866	85%	0.852	S	S	*	*			trans	146.6	118.1	164.8	0	0	0	0	0	116.3
538	S	36.4	Very low	33	Very low	131 Å²	131	98.2 Å²	98.2	92%	0.916	84%	0.84	S	S	*	*			trans	-95.4	170.5	-169.6	-55.3	0	0	0	0	115.7
539	G	31.1	Very low	32.9	Very low	84 Å²	84	102.6 Å²	102.6	87%	0.866	84%	0.842	S	S	*	*			trans	98.6	139.7	152.1	0	0	0	0	0	114.5
540	G	30.7	Very low	32.8	Very low	80 Å²	80	101.9 Å²	101.9	83%	0.825	84%	0.835	S	S	*	*			cis	160.6	138	3.2	0	0	0	0	0	108.4
541	G	30.2	Very low	32.8	Very low	88 Å²	88	109 Å²	109	91%	0.907	84%	0.835	S	S	*	*			trans	82.5	141.1	153.5	0	0	0	0	0	120.5
542	G	29.8	Very low	32.7	Very low	87 Å²	87	114.6 Å²	114.6	90%	0.897	83%	0.834	S	S	*	*			trans	119.2	123.8	139.2	0	0	0	0	0	118
543	N	33.5	Very low	32.4	Very low	162 Å²	162	114.8 Å²	114.8	87%	0.866	83%	0.829	S	S	*	*			trans	-80.9	168.1	-174.5	-128.5	2	0	0	0	114.6
544	S	29.2	Very low	32.3	Very low	116 Å²	116	117 Å²	117	81%	0.811	83%	0.825	S	S	*	*			trans	83.7	127.1	151.7	70.9	0	0	0	0	121.7
545	A	35.7	Very low	31.9	Very low	91 Å²	91	121.1 Å²	121.1	75%	0.752	83%	0.827	S	S	*	*			trans	-76.7	-170.2	164.9	0	0	0	0	0	111.2
546	P	52.7	Low	31.6	Very low	98 Å²	98	122.7 Å²	122.7	64%	0.636	82%	0.824	S	S	*	*			cis	-145.2	-164.2	6.4	27.9	0.8	0	0	0	116.4
547	F	27.2	Very low	31.4	Very low	187 Å²	187	125.7 Å²	125.7	82%	0.82	82%	0.819	S	S	*	*			trans	85.2	148.6	166.3	-57.2	-68.4	0	0	0	117.8
548	S	26.9	Very low	31.2	Very low	99 Å²	99	129.3 Å²	129.3	69%	0.692	81%	0.813	S	S	*	*			cis	-177.8	179.2	-11.9	-108.9	0	0	0	0	108.1
549	I	30	Very low	30.7	Very low	176 Å²	176	132.2 Å²	132.2	90%	0.903	81%	0.813	S	S	*	*			trans	98.4	127.4	167.3	-70.6	159.9	0	0	0	115.2
550	G	29.7	Very low	30.6	Very low	65 Å²	65	139.4 Å²	139.4	67%	0.67	81%	0.814	S	S	*	*			cis	158	161.9	-2.4	0	0	0	0	0	112.4
551	R	31.9	Very low	30.4	Very low	235 Å²	235	144.9 Å²	144.9	89%	0.887	81%	0.814	S	S	*	*			trans	112.9	102.2	164.4	-65.6	179.4	170.4	171.9	-0.6	115.9
552	F	30.3	Very low	30.3	Very low	207 Å²	207	144.3 Å²	144.3	91%	0.908	80%	0.797	S	S	*	*				70.7	136.8	79.7	-78.8	-69.5	0	0	0	112.1
553	A	28.1	Very low	30.3	Very low	79 Å²	79	146.1 Å²	146.1	65%	0.653	79%	0.786	S	S	*	*			cis	-159.4	165.8	-1.7	0	0	0	0	0	105
554	T	29.5	Very low	30.2	Very low	136 Å²	136	147.5 Å²	147.5	83%	0.834	78%	0.784	S	S	*	*				175.8	156.5	74.1	-35.5	0	0	0	0	108.8
555	L	26.6	Very low	30.2	Very low	164 Å²	164	147.6 Å²	147.6	86%	0.859	79%	0.785	S	S	*	*			trans	-73.9	155.3	-168.8	-57	154.5	0	0	0	115.1
556	S	29.1	Very low	29.9	Very low	121 Å²	121	146.9 Å²	146.9	85%	0.846	79%	0.786	S	S	*	*				180	153.7	111.6	60.5	0	0	0	0	114.9
557	L	28.2	Very low	28.7	Very low	150 Å²	150	148.6 Å²	148.6	79%	0.785	80%	0.8	S	S	*	*			trans	-66.6	139.3	-170.3	-77.6	118.7	0	0	0	117.5
558	Q	28.1	Very low	28.7	Very low	160 Å²	160	143.2 Å²	143.2	75%	0.748	80%	0.798	S	S	*	*				37.1	121.1	113.3	-158.8	168.4	4.7	0	0	119
559	E	25.8	Very low	28.7	Very low	192 Å²	192	142 Å²	142	90%	0.897	80%	0.801	S	S	*	*				-170.1	152.4	116.1	-111.2	-175.9	163.4	0	0	114.7
560	R	28.6	Very low	28.7	Very low	235 Å²	235	140.7 Å²	140.7	89%	0.887	80%	0.801	S	S	*	*			trans	-78.9	159.6	178.2	-63.2	170	170.3	176.9	-3.8	110.3
561	K	27.9	Very low	28.7	Very low	194 Å²	194	146 Å²	146	84%	0.843	81%	0.809	S	S	*	*				177.7	148.2	110.2	-160	159.8	177.7	177.2	0	113.2
562	S	28.4	Very low	28.6	Very low	77 Å²	77	145 Å²	145	54%	0.538	81%	0.81	S	S	.	*			trans	-64	154.6	173.3	51.1	0	0	0	0	114.7
563	D	28.5	Very low	28.4	Very low	124 Å²	124	142.7 Å²	142.7	66%	0.663	80%	0.802	S	S	*	*				169.1	146.6	96.2	-93.2	-54.9	0	0	0	114
564	K	31.5	Very low	28.6	Very low	192 Å²	192	145.2 Å²	145.2	84%	0.835	80%	0.8	S	S	*	*			trans	11.9	148.7	145	-76.7	170.1	175.7	174.1	0	119.2
565	S	29.3	Very low	28.5	Very low	118 Å²	118	147.3 Å²	147.3	83%	0.825	80%	0.798	S	S	*	*			cis	177.9	158.6	24.8	40.5	0	0	0	0	109.7
566	G	28.6	Very low	28.7	Very low	75 Å²	75	150.3 Å²	150.3	77%	0.773	80%	0.798	S	S	*	*			trans	116.9	102.9	135.5	0	0	0	0	0	120.3
567	S	27.5	Very low	28.7	Very low	134 Å²	134	154.7 Å²	154.7	94%	0.937	80%	0.797	S	S	*	*				52.6	126.9	128.4	174	0	0	0	0	122.7
568	G	28.3	Very low	28.8	Very low	75 Å²	75	156.3 Å²	156.3	77%	0.773	80%	0.801	S	S	*	*			trans	150.3	106.1	145	0	0	0	0	0	114.2
569	G	27.3	Very low	29	Very low	74 Å²	74	154.4 Å²	154.4	76%	0.763	81%	0.805	S	S	*	*			trans	-90.1	157.4	176.8	0	0	0	0	0	113.9
570	V	30.3	Very low	29.6	Very low	148 Å²	148	153.7 Å²	153.7	90%	0.897	81%	0.806	S	S	*	*			trans	-153.9	136.6	152.5	-179.7	0	0	0	0	109
571	E	28	Very low	29.6	Very low	177 Å²	177	145.6 Å²	145.6	83%	0.827	80%	0.796	S	S	*	*			trans	-59.5	151.6	174.3	-60.3	173.5	137.7	0	0	114.3
572	K	30.7	Very low	29.6	Very low	213 Å²	213	144.1 Å²	144.1	93%	0.926	80%	0.797	S	S	*	*			trans	-168.3	124.7	132.4	-108.7	167.2	-173.4	176.3	0	112.9
573	E	26.6	Very low	30.3	Very low	158 Å²	158	148.1 Å²	148.1	74%	0.738	81%	0.811	S	S	*	*			trans	-85	150.2	173.9	-167.1	-176.6	-166	0	0	111.3
574	H	31.1	Very low	30.3	Very low	132 Å²	132	147.8 Å²	147.8	61%	0.611	82%	0.818	S	S	*	*			trans	131	121.9	139.4	-77.3	105.5	0	0	0	118
575	K	28.4	Very low	30.7	Very low	181 Å²	181	148.4 Å²	148.4	79%	0.787	82%	0.821	S	S	*	*			trans	70.9	125.4	144.9	-65.3	172.1	-179.3	176.6	0	117.4
576	R	30.4	Very low	30.6	Very low	226 Å²	226	148 Å²	148	85%	0.853	82%	0.818	S	S	*	*				178	132.7	100.5	-89.9	-177.2	-165.1	176.6	4.6	112.7
577	Y	28.2	Very low	30.9	Very low	213 Å²	213	152 Å²	152	84%	0.835	82%	0.821	S	S	*	*			trans	62	120.7	139	-79.7	-97.5	0	0	0	121.9
578	H	31.6	Very low	31.1	Very low	185 Å²	185	152.4 Å²	152.4	86%	0.856	81%	0.813	S	S	*	*			trans	-41.4	133.5	144.4	-62.9	-85.2	0	0	0	112.2
579	S	32.2	Very low	31.8	Very low	119 Å²	119	158.7 Å²	158.7	83%	0.832	82%	0.819	S	S	*	*			trans	-146.8	119.2	144.5	-153.2	0	0	0	0	109.5
580	L	37.8	Very low	32.1	Very low	177 Å²	177	161.7 Å²	161.7	93%	0.927	82%	0.816	S	S	*	*			trans	-70.8	131.2	161.1	-70.1	168.3	0	0	0	107.3
581	G	29.3	Very low	32.3	Very low	65 Å²	65	162.9 Å²	162.9	67%	0.67	82%	0.818	S	S	*	*			trans	169.4	103.9	172.4	0	0	0	0	0	115.2
582	N	28.2	Very low	32.4	Very low	163 Å²	163	160.3 Å²	160.3	87%	0.872	81%	0.814	S	S	*	*			trans	93	109.8	142.2	-65.1	23.1	0	0	0	120.3
583	I	42.1	Very low	32.7	Very low	162 Å²	162	153.9 Å²	153.9	83%	0.831	80%	0.801	S	S	*	*			trans	-46.7	120.2	157.2	-61.8	151.3	0	0	0	110.3
584	S	29.8	Very low	33.2	Very low	116 Å²	116	151.1 Å²	151.1	81%	0.811	80%	0.797	S	S	*	*			trans	-116.8	117	157.4	-80.3	0	0	0	0	108.6	S586	S584-S586 PolarHBondContact O-N 2.79Å
585	K	38.4	Very low	33.3	Very low	205 Å²	205	156.3 Å²	156.3	89%	0.891	81%	0.811	S	S	*	*			trans	-65.3	116.9	170.2	-69	175.2	176.2	175.3	0	108.6
586	S	28.6	Very low	34	Very low	109 Å²	109	150.8 Å²	150.8	76%	0.762	80%	0.795	S	S	*	*			trans	-125.5	120.2	157.7	65	0	0	0	0	108.8	S584 D588	S584-S586 PolarHBondContact O-N 2.79Å; S586-D588 PolarHBondContact O-N 3.19Å
587	N	34.4	Very low	35.1	Very low	159 Å²	159	146.8 Å²	146.8	85%	0.85	79%	0.791	S	S	*	*			trans	-88.8	97.7	-175.2	-157.5	19.9	0	0	0	107.3
588	D	30.6	Very low	36.7	Very low	143 Å²	143	145.9 Å²	145.9	77%	0.765	79%	0.786	S	S	*	*			trans	-136.4	118	166.8	-86.3	-44.1	0	0	0	109.9	S586 I590	S586-D588 PolarHBondContact O-N 3.19Å; D588-I590 PolarHBondContact O-N 3.49Å; D588-I590 VanDerWaalsContact O-N 3.12Å
589	K	43	Very low	38.7	Very low	208 Å²	208	139.6 Å²	139.6	90%	0.904	76%	0.758	S	S	*	*			trans	-70.6	100.5	177.6	-71.4	176.5	177.4	177.7	0	109
590	I	33.5	Very low	40.4	Very low	136 Å²	136	137.1 Å²	137.1	70%	0.697	74%	0.735	S	S	*	*			trans	-126.7	128.3	163.3	-65.1	177.6	0	0	0	107.4	D588 V592	D588-I590 PolarHBondContact O-N 3.49Å; D588-I590 VanDerWaalsContact O-N 3.12Å; I590-V592 PolarHBondContact O-N 3.19Å
591	N	35	Very low	41.9	Very low	173 Å²	173	130.5 Å²	130.5	93%	0.925	71%	0.71	S	S	*	*			trans	-55.9	95.8	168.9	-92.6	-32.6	0	0	0	109.2
592	V	30.6	Very low	43.9	Very low	123 Å²	123	131.5 Å²	131.5	75%	0.745	71%	0.712	S	S	*	*			trans	-88.4	109	170.2	177.7	0	0	0	0	107	I590	I590-V592 PolarHBondContact O-N 3.19Å
593	A	36	Very low	46.4	Very low	79 Å²	79	131.3 Å²	131.3	65%	0.653	70%	0.703	S	S	*	*			trans	-50.9	141.8	163.4	0	0	0	0	0	109.2	R595	A593-R595 PolarHBondContact O-N 3.2Å
594	P	38.7	Very low	48.5	Very low	100 Å²	100	124.1 Å²	124.1	65%	0.649	67%	0.666	S	S	*	*			trans	-58.1	138.6	-179.1	25.4	-32	0	0	0	109	S596	P594-S596 VanDerWaalsContact C-N 3.34Å; P594-S596 PolarHBondContact O-N 2.69Å
595	R	32.2	Very low	51.4	Low	241 Å²	241	121.7 Å²	121.7	91%	0.909	64%	0.644	S	S	*	*			trans	-56.2	103.4	167.7	-75.4	-177.3	175.3	169.5	-1.4	107.2	A593 N597	A593-R595 PolarHBondContact O-N 3.2Å; R595-N597 PolarHBondContact O-N 3.12Å
596	S	43.3	Very low	53.8	Low	65 Å²	65	113.3 Å²	113.3	46%	0.455	62%	0.616	S	S	.	*			trans	-65.9	114.2	173.4	175.7	0	0	0	0	107.9	E267 P594 R598	E267-S596 WeakPolarHBondContact OE1-CB 3.47Å; E267-S596 PolarHBondContact OE1-OG 3.31Å; P594-S596 VanDerWaalsContact C-N 3.34Å; P594-S596 PolarHBondContact O-N 2.69Å; S596-R598 PolarHBondContact O-N 2.75Å; S596-R598 PolarHBondContact OG-N 2.95Å
597	N	53	Low	56.8	Low	142 Å²	142	110.7 Å²	110.7	76%	0.759	60%	0.595	S	S	*	*			trans	-70.2	76.1	158	-85.6	-4.6	0	0	0	106.7	R595 L599	R595-N597 PolarHBondContact O-N 3.12Å; N597-L599 PolarHBondContact O-N 3.42Å; N597-L599 VanDerWaalsContact O-N 3.08Å
598	R	61.5	Low	59.4	Low	194 Å²	194	108.3 Å²	108.3	73%	0.732	59%	0.586	S	S	*	*			trans	-52.4	119.9	172.9	-177.5	175.5	175.9	178.9	0.8	107.4	S596 D600	S596-R598 PolarHBondContact O-N 2.75Å; S596-R598 PolarHBondContact OG-N 2.95Å; R598-D600 VanDerWaalsContact C-N 3.26Å; R598-D600 PolarHBondContact O-N 2.77Å
599	L	73.5	Confident	62.4	Low	53 Å²	53	104.1 Å²	104.1	28%	0.277	56%	0.564	S	S	.	*			trans	-65.2	92.8	172.6	-70.5	175.1	0	0	0	107.5	V304 N597 G601 V604	V304-L599 HydrophobicContact CG1-CD1 4.43Å; N597-L599 PolarHBondContact O-N 3.42Å; N597-L599 VanDerWaalsContact O-N 3.08Å; L599-G601 PolarHBondContact O-N 3.41Å; L599-V604 HydrophobicContact CB-CG2 4.22Å; L599-V604 HydrophobicContact CD2-CG2 4.35Å
600	D	69.4	Low	64.9	Low	67 Å²	67	94.4 Å²	94.4	36%	0.358	52%	0.522	S	S	.	.			trans	-66.6	113	179.9	-178.5	0.4	0	0	0	109	R598 A602 K603 V604	R598-D600 VanDerWaalsContact C-N 3.26Å; R598-D600 PolarHBondContact O-N 2.77Å; D600-A602 PolarHBondContact O-N 2.82Å; D600-A602 VanDerWaalsContact O-N 3.09Å; D600-A602 PolarHBondContact OD1-N 2.92Å; D600-K603 HydrophobicContact CB-CB 4.22Å; D600-K603 HydrophobicContact CB-CD 3.92Å; D600-K603 HydrophobicContact CB-CG 3.99Å; D600-K603 WeakPolarHBondContact O-CA 3.01Å; D600-K603 WeakPolarHBondContact O-CB 3.22Å; D600-K603 PolarHBondContact O-N 2.73Å; D600-K603 VanDerWaalsContact OD2-CE 3.23Å; D600-K603 WeakPolarHBondContact OD2-CE 3.41Å; D600-K603 IonicContact OD2-NZ 2.82Å; D600-V604 WeakPolarHBondContact O-CG2 3.23Å; D600-V604 PolarHBondContact O-N 2.97Å; D600-V604 VanDerWaalsContact O-N 3.11Å
601	G	69.2	Low	67.8	Low	38 Å²	38	88.5 Å²	88.5	39%	0.392	49%	0.492	S	S	.	.	H	α-helix	trans	-53.7	-34.4	-175.3	0	0	0	0	0	113.1	L599 K603 V604 L605	L599-G601 PolarHBondContact O-N 3.41Å; G601-K603 VanDerWaalsContact C-N 3.28Å; G601-K603 PolarHBondContact O-N 3.45Å; G601-V604 PolarHBondContact O-N 3.37Å; G601-L605 PolarHBondContact O-N 3.34Å; G601-L605 VanDerWaalsContact O-N 3.13Å
602	A	69.8	Low	70.7	Confident	85 Å²	85	86 Å²	86	70%	0.702	47%	0.47	S	S	*	.	H	α-helix	trans	-67.2	-27.7	177	0	0	0	0	0	113.2	D600	D600-A602 PolarHBondContact O-N 2.82Å; D600-A602 VanDerWaalsContact O-N 3.09Å; D600-A602 PolarHBondContact OD1-N 2.92Å
603	K	81.8	Confident	73.7	Confident	160 Å²	160	82.2 Å²	82.2	70%	0.696	45%	0.445	S	S	*	.	H	α-helix	trans	-87.5	-24.6	178.3	-62.2	-178.4	-172.9	166.1	0	112.9	D600 G601	D600-K603 HydrophobicContact CB-CB 4.22Å; D600-K603 HydrophobicContact CB-CD 3.92Å; D600-K603 HydrophobicContact CB-CG 3.99Å; D600-K603 WeakPolarHBondContact O-CA 3.01Å; D600-K603 WeakPolarHBondContact O-CB 3.22Å; D600-K603 PolarHBondContact O-N 2.73Å; D600-K603 VanDerWaalsContact OD2-CE 3.23Å; D600-K603 WeakPolarHBondContact OD2-CE 3.41Å; D600-K603 IonicContact OD2-NZ 2.82Å; G601-K603 VanDerWaalsContact C-N 3.28Å; G601-K603 PolarHBondContact O-N 3.45Å
604	V	87	Confident	76.4	Confident	10 Å²	10	85.5 Å²	85.5	6%	0.061	45%	0.446	C	S	.	.	H	α-helix	trans	-89	-22.3	-177.6	-173.6	0	0	0	0	111.6	K306 L599 D600 G601 G606 T607 L609 C610	K306-V604 HydrophobicContact CB-CG1 3.88Å; K306-V604 HydrophobicContact CG-CG1 4.13Å; L599-V604 HydrophobicContact CB-CG2 4.22Å; L599-V604 HydrophobicContact CD2-CG2 4.35Å; D600-V604 WeakPolarHBondContact O-CG2 3.23Å; D600-V604 PolarHBondContact O-N 2.97Å; D600-V604 VanDerWaalsContact O-N 3.11Å; G601-V604 PolarHBondContact O-N 3.37Å; V604-G606 PolarHBondContact O-N 3.1Å; V604-T607 WeakPolarHBondContact O-CB 3.45Å; V604-T607 WeakPolarHBondContact O-CG2 3.46Å; V604-T607 PolarHBondContact O-N 3.11Å; V604-T607 PolarHBondContact O-OG1 3.41Å; V604-L609 HydrophobicContact CG1-CB 3.6Å; V604-L609 HydrophobicContact CG1-CD1 4.2Å; V604-C610 HydrophobicContact CG1-CB 3.92Å
605	L	90.8	Very high	79.1	Confident	66 Å²	66	85.2 Å²	85.2	35%	0.346	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-63.3	126	177.3	-178	63.2	0	0	0	112.3	Y308 G601 T607	Y308-L605 HydrophobicContact CD2-CD1 3.8Å; Y308-L605 HydrophobicContact CE2-CD1 3.36Å; G601-L605 PolarHBondContact O-N 3.34Å; G601-L605 VanDerWaalsContact O-N 3.13Å; L605-T607 VanDerWaalsContact C-N 3.34Å
606	G	88.4	Confident	82	Confident	28 Å²	28	74.5 Å²	74.5	29%	0.289	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	13.2	-174	0	0	0	0	0	114.4	V604 C610	V604-G606 PolarHBondContact O-N 3.1Å; G606-C610 PolarHBondContact N-O 2.7Å
607	T	92.1	Very high	84.5	Confident	54 Å²	54	73.8 Å²	73.8	33%	0.331	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-97.3	172.5	165.9	72	0	0	0	0	110.3	V604 L605 L609 C610 P611	V604-T607 WeakPolarHBondContact O-CB 3.45Å; V604-T607 WeakPolarHBondContact O-CG2 3.46Å; V604-T607 PolarHBondContact O-N 3.11Å; V604-T607 PolarHBondContact O-OG1 3.41Å; L605-T607 VanDerWaalsContact C-N 3.34Å; T607-L609 PolarHBondContact O-N 3.44Å; T607-L609 PolarHBondContact OG1-N 2.75Å; T607-C610 CarbonylContact O-C 3.56Å; T607-C610 PolarHBondContact O-N 3.5Å; T607-C610 VanDerWaalsContact O-N 3.14Å; T607-P611 WeakPolarHBondContact O-CA 3.49Å; T607-P611 WeakPolarHBondContact O-CD 3.41Å
608	T	89.1	Confident	86.5	Confident	109 Å²	109	71.7 Å²	71.7	67%	0.669	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.7	174.5	52	0	0	0	0	113.4
609	L	91.6	Very high	88.2	Confident	56 Å²	56	63.1 Å²	63.1	29%	0.293	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-30.8	177.4	-62.8	177.2	0	0	0	112.6	V304 K306 V604 T607	V304-L609 HydrophobicContact CB-CD2 4.24Å; V304-L609 VanDerWaalsContact O-CD2 3.23Å; V304-L609 WeakPolarHBondContact O-CD2 3.47Å; K306-L609 PolarHBondContact N-O 2.82Å; V604-L609 HydrophobicContact CG1-CB 3.6Å; V604-L609 HydrophobicContact CG1-CD1 4.2Å; T607-L609 PolarHBondContact O-N 3.44Å; T607-L609 PolarHBondContact OG1-N 2.75Å
610	C	95.8	Very high	89.2	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.02	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-147	82.2	174.8	179.1	0	0	0	0	110	K306 V604 G606 T607	K306-C610 HydrophobicContact CB-CB 4.08Å; K306-C610 HydrophobicContact CG-CB 4.46Å; K306-C610 WeakPolarHBondContact O-CB 3.33Å; V604-C610 HydrophobicContact CG1-CB 3.92Å; G606-C610 PolarHBondContact N-O 2.7Å; T607-C610 CarbonylContact O-C 3.56Å; T607-C610 PolarHBondContact O-N 3.5Å; T607-C610 VanDerWaalsContact O-N 3.14Å
611	P	95.8	Very high	90.5	Very high	12 Å²	12	67.3 Å²	67.3	8%	0.078	37%	0.367	C	S	.	.			trans	-61	155.2	177.7	-25.8	36.7	0	0	0	111.4	V343 R346 T607 E615 V616	V343-P611 HydrophobicContact CB-CG 4.1Å; V343-P611 HydrophobicContact CG2-CG 4.37Å; R346-P611 VanDerWaalsContact CZ-O 3.25Å; R346-P611 PolarHBondContact NH1-O 3.48Å; R346-P611 PolarHBondContact NH2-O 3.4Å; T607-P611 WeakPolarHBondContact O-CA 3.49Å; T607-P611 WeakPolarHBondContact O-CD 3.41Å; P611-E615 WeakPolarHBondContact CA-OE2 3.47Å; P611-E615 HydrophobicContact CB-CB 4.05Å; P611-V616 HydrophobicContact CB-CG1 3.74Å; P611-V616 HydrophobicContact CG-CG1 4.04Å
612	R	94.9	Very high	91.7	Very high	121 Å²	121	69.2 Å²	69.2	46%	0.457	37%	0.368	S	S	.	.			trans	-66.9	161.1	172.9	-57.5	-178.2	179.8	-166.5	-2.8	110.5	R346 H614 E615	R346-R612 PolarHBondContact NH1-O 3.11Å; R612-H614 WeakPolarHBondContact CD-CE1 3.46Å; R612-H614 PolarHBondContact O-N 3.19Å; R612-E615 HydrophobicContact CB-CG 4Å; R612-E615 WeakPolarHBondContact CD-OE1 3.27Å; R612-E615 WeakPolarHBondContact CG-OE1 3.2Å; R612-E615 PolarHBondContact N-OE2 2.88Å; R612-E615 IonicContact NE-OE1 3.81Å; R612-E615 PolarHBondContact O-N 2.85Å
613	M	94.3	Very high	93	Very high	44 Å²	44	65.4 Å²	65.4	22%	0.217	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.4	-179.4	-69.6	-60	-78.7	0	0	113.6	Y308 L332 E615 V616 L618	Y308-M613 HydrophobicContact CD2-CG 4.14Å; Y308-M613 HydrophobicContact CD2-SD 4.08Å; Y308-M613 HydrophobicContact CE1-CG 4.49Å; Y308-M613 HydrophobicContact CE2-CG 3.63Å; Y308-M613 HydrophobicContact CE2-SD 4.2Å; Y308-M613 HydrophobicContact CG-SD 4.49Å; L332-M613 HydrophobicContact CD1-CE 4.03Å; L332-M613 HydrophobicContact CD1-SD 4.02Å; L332-M613 HydrophobicContact CD2-CE 4.27Å; M613-E615 VanDerWaalsContact C-N 3.35Å; M613-V616 VanDerWaalsContact O-O 3.14Å; M613-L618 HydrophobicContact CE-CD1 4.45Å; M613-L618 HydrophobicContact CE-CD2 3.42Å; M613-L618 VanDerWaalsContact CE-CD2 3.42Å; M613-L618 HydrophobicContact SD-CD2 4.42Å
614	H	93.3	Very high	93.7	Very high	147 Å²	147	59.9 Å²	59.9	68%	0.681	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.3	178.8	57.6	-93.9	0	0	0	114	R612	R612-H614 WeakPolarHBondContact CD-CE1 3.46Å; R612-H614 PolarHBondContact O-N 3.19Å
615	E	93.5	Very high	94.1	Very high	95 Å²	95	63.6 Å²	63.6	44%	0.444	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-13.5	179.6	-69.4	169.4	-177.8	0	0	112.4	P611 R612 M613	P611-E615 WeakPolarHBondContact CA-OE2 3.47Å; P611-E615 HydrophobicContact CB-CB 4.05Å; R612-E615 HydrophobicContact CB-CG 4Å; R612-E615 WeakPolarHBondContact CD-OE1 3.27Å; R612-E615 WeakPolarHBondContact CG-OE1 3.2Å; R612-E615 PolarHBondContact N-OE2 2.88Å; R612-E615 IonicContact NE-OE1 3.81Å; R612-E615 PolarHBondContact O-N 2.85Å; M613-E615 VanDerWaalsContact C-N 3.35Å
616	V	94.4	Very high	94.3	Very high	15 Å²	15	62.9 Å²	62.9	9%	0.091	33%	0.327	C	S	.	.	S	Bend	trans	-128.1	145.6	179.4	-64.9	0	0	0	0	110.2	V343 R346 P611 M613	V343-V616 HydrophobicContact CB-CG1 4.29Å; V343-V616 HydrophobicContact CG1-CB 4.46Å; V343-V616 HydrophobicContact CG1-CG1 4.01Å; V343-V616 HydrophobicContact CG1-CG2 4.39Å; R346-V616 HydrophobicContact CG-CG2 4.11Å; R346-V616 VanDerWaalsContact NH1-CG2 3.26Å; P611-V616 HydrophobicContact CB-CG1 3.74Å; P611-V616 HydrophobicContact CG-CG1 4.04Å; M613-V616 VanDerWaalsContact O-O 3.14Å
617	P	95.4	Very high	94.7	Very high	51 Å²	51	62 Å²	62	33%	0.331	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-50.4	140.1	171.3	-27.9	33.1	0	0	0	113.1	V344 A345 R346 V439	V344-P617 VanDerWaalsContact O-CD 3.31Å; V344-P617 WeakPolarHBondContact O-CD 3.37Å; A345-P617 WeakPolarHBondContact CA-O 3.15Å; A345-P617 HydrophobicContact CB-CB 4.42Å; R346-P617 PolarHBondContact N-O 3.49Å; V439-P617 HydrophobicContact CG1-CB 4Å; V439-P617 HydrophobicContact CG1-CG 4.3Å
618	L	96	Very high	94.7	Very high	97 Å²	97	59.8 Å²	59.8	51%	0.508	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.1	172.2	-65.7	176.3	0	0	0	110.1	R346 M613	R346-L618 HydrophobicContact CB-CD2 4.03Å; R346-L618 CarbonylContact O-C 3.48Å; R346-L618 WeakPolarHBondContact O-CA 3.32Å; M613-L618 HydrophobicContact CE-CD1 4.45Å; M613-L618 HydrophobicContact CE-CD2 3.42Å; M613-L618 VanDerWaalsContact CE-CD2 3.42Å; M613-L618 HydrophobicContact SD-CD2 4.42Å
619	L	96.8	Very high	94.8	Very high	14 Å²	14	60.9 Å²	60.9	7%	0.073	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	136.5	174.6	-59.5	175.9	0	0	0	110	V335 A345 R346 G347 H348 F421 W433 V439	V335-L619 HydrophobicContact CG2-CD1 4.16Å; A345-L619 HydrophobicContact CB-CD1 3.98Å; A345-L619 HydrophobicContact CB-CD2 4.27Å; A345-L619 HydrophobicContact CB-CG 3.88Å; R346-L619 PolarHBondContact O-N 3.44Å; G347-L619 WeakPolarHBondContact CA-O 3.43Å; H348-L619 PolarHBondContact N-O 3.49Å; F421-L619 HydrophobicContact CE1-CD1 4.24Å; F421-L619 HydrophobicContact CZ-CD1 4.02Å; W433-L619 HydrophobicContact CE3-CB 4.03Å; W433-L619 HydrophobicContact CZ3-CB 4.36Å; V439-L619 HydrophobicContact CG1-CD2 3.96Å; V439-L619 HydrophobicContact CG2-CD2 3.94Å
620	E	94.6	Very high	94.9	Very high	173 Å²	173	62.4 Å²	62.4	81%	0.808	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-98	140.3	165	-64.7	-172.8	165.6	0	0	109.5	L622	E620-L622 PolarHBondContact O-N 2.91Å
621	P	96	Very high	94.9	Very high	35 Å²	35	65.2 Å²	65.2	23%	0.227	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-70.9	127.9	178.3	28.6	-33.3	0	0	0	110.5	C431 L432 W433 V623 C624	C431-P621 HydrophobicContact CB-CB 4.18Å; L432-P621 CarbonylContact O-C 3.48Å; L432-P621 WeakPolarHBondContact O-CA 3.49Å; W433-P621 HydrophobicContact CD2-CB 4.33Å; W433-P621 HydrophobicContact CE3-CB 3.96Å; W433-P621 HydrophobicContact CH2-CB 3.93Å; W433-P621 HydrophobicContact CH2-CG 4.22Å; W433-P621 HydrophobicContact CZ2-CB 4.28Å; W433-P621 HydrophobicContact CZ3-CB 3.76Å; W433-P621 HydrophobicContact CZ3-CG 4.14Å; P621-V623 WeakPolarHBondContact CB-O 3.46Å; P621-V623 PolarHBondContact O-N 2.8Å; P621-C624 HydrophobicContact CB-CB 4.12Å; P621-C624 HydrophobicContact CG-CB 3.83Å
622	L	94.6	Very high	95	Very high	79 Å²	79	64.7 Å²	64.7	41%	0.414	31%	0.312	S	S	.	.	S	Bend	trans	-59	-38.9	171	177.1	65	0	0	0	111.4	T20 L432 E620	T20-L622 HydrophobicContact CG2-CD2 3.95Å; L432-L622 HydrophobicContact CD2-CD2 4.35Å; L432-L622 WeakPolarHBondContact O-CB 3.23Å; L432-L622 PolarHBondContact O-N 3.08Å; E620-L622 PolarHBondContact O-N 2.91Å
623	V	95.9	Very high	95.2	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.03	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.2	174.6	179.5	0	0	0	0	106.7	F18 T20 F430 C431 L432 P621 K625	F18-V623 HydrophobicContact CB-CG1 3.94Å; F18-V623 HydrophobicContact CD2-CG1 3.99Å; F18-V623 HydrophobicContact CD2-CG2 3.88Å; F18-V623 HydrophobicContact CE2-CG2 4.48Å; F18-V623 HydrophobicContact CG-CG1 3.93Å; T20-V623 HydrophobicContact CG2-CG2 3.81Å; F430-V623 HydrophobicContact CD1-CG1 4.22Å; F430-V623 HydrophobicContact CE1-CG1 4.35Å; C431-V623 CarbonylContact C-O 3.54Å; C431-V623 WeakPolarHBondContact CA-O 3.41Å; L432-V623 HydrophobicContact CB-CB 3.83Å; L432-V623 HydrophobicContact CB-CG2 4.13Å; L432-V623 HydrophobicContact CD2-CG2 4.17Å; L432-V623 PolarHBondContact N-O 2.96Å; L432-V623 PolarHBondContact O-N 3.07Å; P621-V623 WeakPolarHBondContact CB-O 3.46Å; P621-V623 PolarHBondContact O-N 2.8Å; V623-K625 HydrophobicContact CG1-CB 4.35Å; V623-K625 HydrophobicContact CG1-CG 3.6Å
624	C	96.5	Very high	95.4	Very high	43 Å²	43	57.5 Å²	57.5	29%	0.291	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	105	167.5	-177.4	0	0	0	0	107.6	Q429 F430 P621	Q429-C624 PolarHBondContact OE1-SG 2.83Å; F430-C624 WeakPolarHBondContact O-CA 3.29Å; P621-C624 HydrophobicContact CB-CB 4.12Å; P621-C624 HydrophobicContact CG-CB 3.83Å
625	K	96.1	Very high	95.6	Very high	89 Å²	89	50.9 Å²	50.9	39%	0.387	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.1	-170.6	-63.2	-66	173.6	-166.7	0	111.2	K15 F18 Q429 F430 V623 I627	K15-K625 HydrophobicContact CG-CD 4.2Å; F18-K625 HydrophobicContact CB-CG 4.38Å; Q429-K625 CarbonylContact C-O 3.54Å; Q429-K625 VanDerWaalsContact CA-O 3.24Å; Q429-K625 WeakPolarHBondContact CA-O 3.38Å; F430-K625 PolarHBondContact N-O 2.83Å; F430-K625 PolarHBondContact O-N 3.16Å; V623-K625 HydrophobicContact CG1-CB 4.35Å; V623-K625 HydrophobicContact CG1-CG 3.6Å; K625-I627 HydrophobicContact CB-CG2 4.15Å; K625-I627 PolarHBondContact O-N 3.27Å
626	K	96.1	Very high	95.8	Very high	51 Å²	51	48.3 Å²	48.3	22%	0.222	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	120.9	165.8	176.7	164.3	-175.8	156.4	0	109.3	I14 K15 T428 Q429 A628	I14-K626 HydrophobicContact CG1-CG 4.48Å; K15-K626 PolarHBondContact N-O 2.84Å; T428-K626 WeakPolarHBondContact OG1-CE 3.21Å; Q429-K626 HydrophobicContact CG-CB 4.36Å; K626-A628 VanDerWaalsContact CE-O 3.24Å; K626-A628 WeakPolarHBondContact CE-O 3.34Å
627	I	94.9	Very high	95.9	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.046	24%	0.244	C	C	.	.			trans	-125.6	-1.9	-174.8	63.9	157.7	0	0	0	114.3	I14 T428 F430 K625 L632 T644 W654	I14-I627 WeakPolarHBondContact CG2-O 3.47Å; T428-I627 PolarHBondContact O-N 3.27Å; F430-I627 HydrophobicContact CB-CD1 3.62Å; F430-I627 HydrophobicContact CB-CG1 3.96Å; F430-I627 HydrophobicContact CB-CG2 4.24Å; F430-I627 HydrophobicContact CG-CD1 4.46Å; K625-I627 HydrophobicContact CB-CG2 4.15Å; K625-I627 PolarHBondContact O-N 3.27Å; I627-L632 HydrophobicContact CD1-CD1 3.86Å; I627-L632 HydrophobicContact CD1-CD2 4Å; I627-L632 HydrophobicContact CG1-CD1 3.6Å; I627-L632 HydrophobicContact CG1-CD2 4.1Å; I627-L632 HydrophobicContact CG1-CG 4.44Å; I627-T644 HydrophobicContact CD1-CG2 3.78Å; I627-W654 HydrophobicContact CB-CH2 3.8Å; I627-W654 HydrophobicContact CB-CZ2 3.7Å; I627-W654 HydrophobicContact CD1-CZ2 3.9Å; I627-W654 HydrophobicContact CG1-CZ2 4.42Å; I627-W654 HydrophobicContact CG2-CH2 3.53Å; I627-W654 HydrophobicContact CG2-CZ2 3.86Å; I627-W654 HydrophobicContact CG2-CZ3 4.43Å
628	A	93.1	Very high	95.8	Very high	8 Å²	8	46.7 Å²	46.7	7%	0.066	23%	0.231	C	C	.	.			trans	-144.6	162.2	179.5	0	0	0	0	0	112.1	T428 K626 E630 L632 C646	T428-A628 VanDerWaalsContact CB-O 3.32Å; T428-A628 WeakPolarHBondContact CB-O 3.34Å; T428-A628 PolarHBondContact OG1-O 3.32Å; K626-A628 VanDerWaalsContact CE-O 3.24Å; K626-A628 WeakPolarHBondContact CE-O 3.34Å; A628-E630 WeakPolarHBondContact CB-O 3.22Å; A628-L632 HydrophobicContact CB-CD2 3.74Å; A628-L632 HydrophobicContact CB-CG 4.14Å; A628-C646 HydrophobicContact CB-CB 3.87Å
629	H	90.9	Very high	95.6	Very high	131 Å²	131	44.7 Å²	44.7	61%	0.606	22%	0.221	S	C	*	.	S	Bend	trans	-82	-34.2	171.9	-74.5	-65.5	0	0	0	111.9	I14	I14-H629 HydrophobicContact CD1-CB 4.32Å; I14-H629 WeakPolarHBondContact CD1-CD2 3.4Å; I14-H629 VanDerWaalsContact CD1-CE1 3.48Å; I14-H629 WeakPolarHBondContact CD1-CE1 3.28Å; I14-H629 WeakPolarHBondContact CD1-NE2 3.12Å
630	E	94	Very high	95.3	Very high	88 Å²	88	44.4 Å²	44.4	41%	0.411	22%	0.22	S	C	.	.	S	Bend	trans	-113.8	166	-179.8	-82.5	-65.1	157.5	0	0	112	T428 A628 L632 C646 Q647 E648	T428-E630 WeakPolarHBondContact CG2-O 3.49Å; A628-E630 WeakPolarHBondContact CB-O 3.22Å; E630-L632 PolarHBondContact O-N 3.25Å; E630-C646 HydrophobicContact CB-CB 4.38Å; E630-Q647 HydrophobicContact CB-CB 4.33Å; E630-E648 HydrophobicContact CB-CG 3.74Å; E630-E648 HydrophobicContact CG-CG 3.39Å; E630-E648 WeakPolarHBondContact CG-OE1 3.38Å
631	R	96.1	Very high	95.2	Very high	62 Å²	62	36.2 Å²	36.2	23%	0.234	18%	0.181	C	C	.	.			trans	-52.3	136.5	-178.8	63.9	-178.9	-177.2	-141.3	0.7	111.7	Q426 C646 Q647	Q426-R631 HydrophobicContact CB-CB 4.41Å; Q426-R631 HydrophobicContact CG-CB 4.49Å; R631-C646 CarbonylContact O-C 3.58Å; R631-C646 VanDerWaalsContact O-CA 3.32Å; R631-C646 WeakPolarHBondContact O-CA 3.34Å; R631-Q647 HydrophobicContact CG-CB 3.69Å; R631-Q647 HydrophobicContact CG-CG 4.3Å; R631-Q647 PolarHBondContact O-N 3.42Å
632	L	97.9	Very high	95.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	139	178.2	-70.4	162.6	0	0	0	110.3	N355 V424 G425 Q429 I627 A628 E630 A645 C646	N355-L632 WeakPolarHBondContact CB-O 3.44Å; N355-L632 PolarHBondContact ND2-O 2.79Å; V424-L632 HydrophobicContact CB-CB 3.62Å; V424-L632 HydrophobicContact CB-CD1 3.74Å; V424-L632 HydrophobicContact CB-CG 4.29Å; V424-L632 HydrophobicContact CG1-CB 4.33Å; V424-L632 HydrophobicContact CG1-CD1 3.81Å; V424-L632 HydrophobicContact CG2-CB 3.88Å; G425-L632 PolarHBondContact O-N 3.18Å; Q429-L632 WeakPolarHBondContact O-CD1 3.38Å; I627-L632 HydrophobicContact CD1-CD1 3.86Å; I627-L632 HydrophobicContact CD1-CD2 4Å; I627-L632 HydrophobicContact CG1-CD1 3.6Å; I627-L632 HydrophobicContact CG1-CD2 4.1Å; I627-L632 HydrophobicContact CG1-CG 4.44Å; A628-L632 HydrophobicContact CB-CD2 3.74Å; A628-L632 HydrophobicContact CB-CG 4.14Å; E630-L632 PolarHBondContact O-N 3.25Å; L632-A645 WeakPolarHBondContact CA-O 3.38Å; L632-C646 HydrophobicContact CD2-CB 4.37Å
633	T	97.9	Very high	95.2	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.037	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	-7.4	-173.9	58.1	0	0	0	0	113.5	P92 V93 V356 A645	P92-T633 HydrophobicContact CB-CG2 3.95Å; V93-T633 VanDerWaalsContact O-CB 3.23Å; V93-T633 WeakPolarHBondContact O-CB 3.36Å; V93-T633 PolarHBondContact O-OG1 2.94Å; V356-T633 VanDerWaalsContact CG2-O 3.29Å; V356-T633 WeakPolarHBondContact CG2-O 3.41Å; T633-A645 PolarHBondContact N-O 3.42Å
634	V	98.4	Very high	95.2	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.042	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.3	-177.6	175.8	0	0	0	0	110	V93 V95 V636 T644 A645	V93-V634 WeakPolarHBondContact O-CG2 3.44Å; V95-V634 HydrophobicContact CB-CG1 3.93Å; V95-V634 HydrophobicContact CB-CG2 4.26Å; V95-V634 HydrophobicContact CG2-CG1 4.13Å; V95-V634 HydrophobicContact CG2-CG2 4.02Å; V634-V636 HydrophobicContact CG1-CG2 3.91Å; V634-T644 WeakPolarHBondContact O-CA 3.48Å; V634-A645 HydrophobicContact CB-CB 3.73Å; V634-A645 HydrophobicContact CG1-CB 4.47Å; V634-A645 HydrophobicContact CG2-CB 3.86Å; V634-A645 PolarHBondContact N-O 3.01Å; V634-A645 PolarHBondContact O-N 3.07Å
635	L	98.6	Very high	95.2	Very high	9 Å²	9	28.9 Å²	28.9	5%	0.047	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	120.5	165.7	172.9	63	0	0	0	108	V356 A358 G422 V424 F430 F637 I642 I643 T644	V356-L635 HydrophobicContact CB-CB 4.37Å; V356-L635 HydrophobicContact CG1-CB 4Å; A358-L635 HydrophobicContact CB-CD2 4.19Å; A358-L635 HydrophobicContact CB-CG 4.24Å; G422-L635 WeakPolarHBondContact O-CD2 3.5Å; V424-L635 HydrophobicContact CG1-CB 4.17Å; V424-L635 HydrophobicContact CG1-CD2 4.38Å; V424-L635 HydrophobicContact CG2-CB 3.95Å; F430-L635 HydrophobicContact CD2-CD1 4.08Å; F430-L635 HydrophobicContact CE2-CD1 3.68Å; F430-L635 HydrophobicContact CE2-CD2 4.25Å; L635-F637 HydrophobicContact CD1-CE2 4.21Å; L635-F637 HydrophobicContact CD1-CZ 4.23Å; L635-F637 HydrophobicContact CD2-CE2 3.98Å; L635-F637 HydrophobicContact CD2-CZ 4.38Å; L635-F637 HydrophobicContact CG-CE2 4.08Å; L635-I642 HydrophobicContact CD1-CG2 3.61Å; L635-I643 CarbonylContact C-O 3.51Å; L635-I643 WeakPolarHBondContact CA-O 3.36Å; L635-T644 HydrophobicContact CD1-CG2 4.17Å
636	V	97.3	Very high	95.1	Very high	40 Å²	40	24.9 Å²	24.9	24%	0.242	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.7	177.4	-178	0	0	0	0	108.8	V634 M638 I642 I643	V634-V636 HydrophobicContact CG1-CG2 3.91Å; V636-M638 HydrophobicContact CG1-CG 4.14Å; V636-I642 CarbonylContact O-C 3.55Å; V636-I642 WeakPolarHBondContact O-CA 3.37Å; V636-I643 HydrophobicContact CB-CB 4.26Å; V636-I643 PolarHBondContact N-O 3.46Å; V636-I643 PolarHBondContact O-N 3.2Å
637	F	96.8	Very high	95	Very high	19 Å²	19	23.8 Å²	23.8	8%	0.083	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.8	171.7	-70.4	-79.1	0	0	0	109.4	A358 F359 D360 F362 F430 L432 L635 I642	A358-F637 HydrophobicContact CB-CD2 3.94Å; A358-F637 HydrophobicContact CB-CE2 4.01Å; A358-F637 VanDerWaalsContact O-CE2 3.26Å; A358-F637 WeakPolarHBondContact O-CE2 3.38Å; F359-F637 WeakPolarHBondContact O-CD2 3.34Å; D360-F637 HydrophobicContact CB-CB 4.29Å; D360-F637 HydrophobicContact CB-CD1 3.61Å; D360-F637 HydrophobicContact CB-CD2 3.95Å; D360-F637 HydrophobicContact CB-CE1 3.83Å; D360-F637 HydrophobicContact CB-CE2 4.16Å; D360-F637 HydrophobicContact CB-CG 3.67Å; D360-F637 HydrophobicContact CB-CZ 4.11Å; D360-F637 VanDerWaalsContact CG-CD1 3.46Å; F362-F637 HydrophobicContact CD2-CB 4.49Å; F430-F637 HydrophobicContact CE2-CZ 4.47Å; L432-F637 HydrophobicContact CD1-CE1 4.32Å; L432-F637 HydrophobicContact CD1-CZ 4.03Å; L635-F637 HydrophobicContact CD1-CE2 4.21Å; L635-F637 HydrophobicContact CD1-CZ 4.23Å; L635-F637 HydrophobicContact CD2-CE2 3.98Å; L635-F637 HydrophobicContact CD2-CZ 4.38Å; L635-F637 HydrophobicContact CG-CE2 4.08Å; F637-I642 HydrophobicContact CD1-CD1 4.01Å; F637-I642 HydrophobicContact CD1-CG1 3.71Å; F637-I642 HydrophobicContact CD1-CG2 4.36Å; F637-I642 HydrophobicContact CE1-CD1 3.59Å; F637-I642 HydrophobicContact CE1-CG1 3.83Å; F637-I642 HydrophobicContact CE1-CG2 4.29Å
638	M	93.1	Very high	94.8	Very high	14 Å²	14	28.2 Å²	28.2	7%	0.069	14%	0.137	C	C	.	.			trans	-120.3	173.4	174.2	-63.7	-176.9	61.8	0	0	109.8	M97 E110 Y125 F362 V636 D640 C641 I643 R656	M97-M638 HydrophobicContact CE-CE 4.19Å; M97-M638 HydrophobicContact CE-SD 4.1Å; M97-M638 HydrophobicContact CG-SD 4.3Å; E110-M638 WeakPolarHBondContact OE2-CE 3.26Å; Y125-M638 HydrophobicContact CD1-CE 4.1Å; Y125-M638 HydrophobicContact CE1-CE 3.65Å; Y125-M638 HydrophobicContact CE1-SD 3.92Å; F362-M638 VanDerWaalsContact CD2-C 3.45Å; F362-M638 WeakPolarHBondContact CD2-O 3.25Å; F362-M638 VanDerWaalsContact CE2-CA 3.47Å; F362-M638 WeakPolarHBondContact CE2-O 3.21Å; V636-M638 HydrophobicContact CG1-CG 4.14Å; M638-D640 VanDerWaalsContact C-N 3.32Å; M638-D640 PolarHBondContact O-N 3.21Å; M638-C641 CarbonylContact C-O 3.57Å; M638-C641 WeakPolarHBondContact CA-O 3.32Å; M638-C641 PolarHBondContact N-O 3.13Å; M638-C641 VanDerWaalsContact O-O 3.05Å; M638-I643 HydrophobicContact SD-CD1 3.37Å; M638-I643 WeakPolarHBondContact SD-CD1 3.11Å; M638-I643 HydrophobicContact SD-CG1 4.02Å; M638-R656 PolarHBondContact O-NE 3.4Å; M638-R656 PolarHBondContact O-NH2 3.04Å
639	D	91.1	Very high	94.5	Very high	54 Å²	54	28 Å²	28	29%	0.289	14%	0.136	S	C	.	.	S	Bend	trans	-68.9	-31	-172.9	76.6	-49.8	0	0	0	113.2	F362 R656 K659	F362-D639 HydrophobicContact CD1-CB 3.85Å; F362-D639 VanDerWaalsContact CE1-CA 3.49Å; F362-D639 HydrophobicContact CE1-CB 3.46Å; F362-D639 VanDerWaalsContact CE1-CB 3.46Å; F362-D639 HydrophobicContact CZ-CB 3.92Å; D639-R656 WeakPolarHBondContact O-CD 3.24Å; D639-K659 IonicContact OD2-NZ 3.59Å
640	D	90.4	Very high	94.4	Very high	9 Å²	9	24.6 Å²	24.6	5%	0.048	12%	0.122	C	C	.	.	S	Bend	trans	-114.7	-13.5	-176.5	71.4	-5.6	0	0	0	113.9	N127 I128 M638 R656 K659	N127-D640 WeakPolarHBondContact CB-OD2 3.23Å; I128-D640 HydrophobicContact CD1-CB 4.11Å; I128-D640 WeakPolarHBondContact CG1-OD2 3.45Å; M638-D640 VanDerWaalsContact C-N 3.32Å; M638-D640 PolarHBondContact O-N 3.21Å; D640-R656 WeakPolarHBondContact O-CB 3.32Å; D640-R656 PolarHBondContact O-N 3.41Å; D640-K659 HydrophobicContact CB-CB 4.28Å; D640-K659 HydrophobicContact CB-CD 4.03Å; D640-K659 HydrophobicContact CB-CG 4.21Å
641	C	93	Very high	94.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	173.1	-176.8	65.5	0	0	0	0	114.4	I128 M638 T653 W654	I128-C641 HydrophobicContact CG2-CB 3.8Å; M638-C641 CarbonylContact C-O 3.57Å; M638-C641 WeakPolarHBondContact CA-O 3.32Å; M638-C641 PolarHBondContact N-O 3.13Å; M638-C641 VanDerWaalsContact O-O 3.05Å; C641-T653 HydrophobicContact CB-CG2 3.72Å; C641-W654 CarbonylContact C-O 3.56Å; C641-W654 WeakPolarHBondContact CA-O 3.49Å; C641-W654 WeakPolarHBondContact CB-O 3.35Å
642	I	95.7	Very high	94	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.6	164.3	-54.9	172.4	0	0	0	106.6	F18 Y25 F430 L635 V636 F637 T644 W654	F18-I642 HydrophobicContact CZ-CD1 4.11Å; Y25-I642 HydrophobicContact CD1-CD1 3.64Å; Y25-I642 HydrophobicContact CD1-CG1 4.31Å; Y25-I642 HydrophobicContact CE1-CD1 3.53Å; Y25-I642 HydrophobicContact CE1-CG1 4.17Å; F430-I642 HydrophobicContact CZ-CD1 4.33Å; L635-I642 HydrophobicContact CD1-CG2 3.61Å; V636-I642 CarbonylContact O-C 3.55Å; V636-I642 WeakPolarHBondContact O-CA 3.37Å; F637-I642 HydrophobicContact CD1-CD1 4.01Å; F637-I642 HydrophobicContact CD1-CG1 3.71Å; F637-I642 HydrophobicContact CD1-CG2 4.36Å; F637-I642 HydrophobicContact CE1-CD1 3.59Å; F637-I642 HydrophobicContact CE1-CG1 3.83Å; F637-I642 HydrophobicContact CE1-CG2 4.29Å; I642-T644 HydrophobicContact CG2-CG2 4.28Å; I642-W654 HydrophobicContact CB-CB 4.16Å; I642-W654 PolarHBondContact N-O 3.13Å; I642-W654 VanDerWaalsContact O-CD1 3.27Å; I642-W654 PolarHBondContact O-N 2.8Å
643	I	95.3	Very high	93.7	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.6	172.2	-59.5	178.5	0	0	0	108.9	M97 Y125 L635 V636 M638 I651 C652	M97-I643 HydrophobicContact CE-CD1 4.08Å; M97-I643 HydrophobicContact CG-CD1 4.39Å; M97-I643 HydrophobicContact SD-CD1 3.93Å; Y125-I643 HydrophobicContact CE1-CD1 4.23Å; Y125-I643 HydrophobicContact CE2-CD1 4.34Å; L635-I643 CarbonylContact C-O 3.51Å; L635-I643 WeakPolarHBondContact CA-O 3.36Å; V636-I643 HydrophobicContact CB-CB 4.26Å; V636-I643 PolarHBondContact N-O 3.46Å; V636-I643 PolarHBondContact O-N 3.2Å; M638-I643 HydrophobicContact SD-CD1 3.37Å; M638-I643 WeakPolarHBondContact SD-CD1 3.11Å; M638-I643 HydrophobicContact SD-CG1 4.02Å; I643-I651 HydrophobicContact CG2-CG2 3.65Å; I643-C652 WeakPolarHBondContact CA-O 3.35Å
644	T	96.9	Very high	93.4	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.025	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.8	172.2	63.1	0	0	0	0	109.9	I627 V634 L635 I642 C652 W654	I627-T644 HydrophobicContact CD1-CG2 3.78Å; V634-T644 WeakPolarHBondContact O-CA 3.48Å; L635-T644 HydrophobicContact CD1-CG2 4.17Å; I642-T644 HydrophobicContact CG2-CG2 4.28Å; T644-C652 PolarHBondContact N-O 3.12Å; T644-C652 PolarHBondContact O-N 2.81Å; T644-W654 PolarHBondContact OG1-NE1 2.85Å
645	A	95.4	Very high	93.2	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.017	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.6	172.4	0	0	0	0	0	111.9	V93 V95 L632 T633 V634 L650 I651	V93-A645 HydrophobicContact CG1-CB 4.27Å; V95-A645 HydrophobicContact CG2-CB 4.29Å; L632-A645 WeakPolarHBondContact CA-O 3.38Å; T633-A645 PolarHBondContact N-O 3.42Å; V634-A645 HydrophobicContact CB-CB 3.73Å; V634-A645 HydrophobicContact CG1-CB 4.47Å; V634-A645 HydrophobicContact CG2-CB 3.86Å; V634-A645 PolarHBondContact N-O 3.01Å; V634-A645 PolarHBondContact O-N 3.07Å; A645-L650 VanDerWaalsContact CA-O 3.24Å; A645-L650 WeakPolarHBondContact CA-O 3.48Å; A645-I651 HydrophobicContact CB-CB 4.4Å; A645-I651 HydrophobicContact CB-CG1 3.92Å
646	C	94.4	Very high	93	Very high	5 Å²	5	18.4 Å²	18.4	3%	0.034	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	169	174.5	73.3	0	0	0	0	112.2	A628 E630 R631 L632 E648 G649 L650	A628-C646 HydrophobicContact CB-CB 3.87Å; E630-C646 HydrophobicContact CB-CB 4.38Å; R631-C646 CarbonylContact O-C 3.58Å; R631-C646 VanDerWaalsContact O-CA 3.32Å; R631-C646 WeakPolarHBondContact O-CA 3.34Å; L632-C646 HydrophobicContact CD2-CB 4.37Å; C646-E648 PolarHBondContact O-N 3.11Å; C646-E648 VanDerWaalsContact O-N 3.13Å; C646-G649 PolarHBondContact O-N 3.12Å; C646-L650 PolarHBondContact N-O 2.88Å
647	Q	94.2	Very high	92.7	Very high	28 Å²	28	17.9 Å²	17.9	13%	0.131	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.9	-178.7	-173.3	61.6	75.6	0	0	114.7	P91 E630 R631 G649	P91-Q647 PolarHBondContact O-NE2 3.24Å; E630-Q647 HydrophobicContact CB-CB 4.33Å; R631-Q647 HydrophobicContact CG-CB 3.69Å; R631-Q647 HydrophobicContact CG-CG 4.3Å; R631-Q647 PolarHBondContact O-N 3.42Å; Q647-G649 PolarHBondContact O-N 3.29Å
648	E	89.3	Confident	92.2	Very high	102 Å²	102	20.1 Å²	20.1	48%	0.477	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-12.4	176.1	-60.4	179.9	141.7	0	0	113.1	E630 C646	E630-E648 HydrophobicContact CB-CG 3.74Å; E630-E648 HydrophobicContact CG-CG 3.39Å; E630-E648 WeakPolarHBondContact CG-OE1 3.38Å; C646-E648 PolarHBondContact O-N 3.11Å; C646-E648 VanDerWaalsContact O-N 3.13Å
649	G	87.5	Confident	91.6	Very high	4 Å²	4	23.2 Å²	23.2	4%	0.041	14%	0.135	C	C	.	.	S	Bend	trans	95	4.8	-176.9	0	0	0	0	0	114.4	C646 Q647 I651	C646-G649 PolarHBondContact O-N 3.12Å; Q647-G649 PolarHBondContact O-N 3.29Å; G649-I651 PolarHBondContact O-N 3.45Å
650	L	89.3	Confident	90.4	Very high	58 Å²	58	21.6 Å²	21.6	30%	0.304	13%	0.129	S	C	.	.			trans	-73.9	115.4	174.1	-60.3	173.6	0	0	0	109.9	A645 C646 V674	A645-L650 VanDerWaalsContact CA-O 3.24Å; A645-L650 WeakPolarHBondContact CA-O 3.48Å; C646-L650 PolarHBondContact N-O 2.88Å; L650-V674 HydrophobicContact CD2-CG1 4.13Å
651	I	90.8	Very high	88.7	Confident	6 Å²	6	27.3 Å²	27.3	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	113.9	175.9	-54.9	168.9	0	0	0	108.5	V95 F114 I643 A645 G649 V674 V675	V95-I651 HydrophobicContact CG2-CD1 3.7Å; V95-I651 HydrophobicContact CG2-CG1 3.99Å; V95-I651 HydrophobicContact CG2-CG2 4.22Å; F114-I651 HydrophobicContact CB-CD1 3.57Å; F114-I651 HydrophobicContact CD1-CD1 3.62Å; F114-I651 HydrophobicContact CD2-CD1 3.66Å; F114-I651 HydrophobicContact CE1-CD1 4.2Å; F114-I651 HydrophobicContact CE2-CD1 4.25Å; F114-I651 HydrophobicContact CG-CD1 3.32Å; I643-I651 HydrophobicContact CG2-CG2 3.65Å; A645-I651 HydrophobicContact CB-CB 4.4Å; A645-I651 HydrophobicContact CB-CG1 3.92Å; G649-I651 PolarHBondContact O-N 3.45Å; I651-V674 VanDerWaalsContact O-CA 3.29Å; I651-V674 WeakPolarHBondContact O-CA 3.17Å; I651-V675 HydrophobicContact CB-CB 4.04Å; I651-V675 HydrophobicContact CD1-CB 4.08Å; I651-V675 HydrophobicContact CD1-CG1 4.32Å; I651-V675 HydrophobicContact CG1-CB 4.43Å; I651-V675 PolarHBondContact N-O 3.17Å; I651-V675 PolarHBondContact O-N 3.39Å; I651-V675 VanDerWaalsContact O-N 3.07Å
652	C	90.6	Very high	86.6	Confident	19 Å²	19	34.3 Å²	34.3	13%	0.128	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.6	-174.4	-68.8	0	0	0	0	111.7	L27 I643 T644	L27-C652 HydrophobicContact CD1-CB 3.58Å; I643-C652 WeakPolarHBondContact CA-O 3.35Å; T644-C652 PolarHBondContact N-O 3.12Å; T644-C652 PolarHBondContact O-N 2.81Å
653	T	91.6	Very high	84	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.1	173.5	-54.1	0	0	0	0	110.7	L28 Y125 I128 C641 T673	L28-T653 HydrophobicContact CD1-CG2 4.21Å; L28-T653 PolarHBondContact N-O 3.16Å; Y125-T653 WeakPolarHBondContact OH-CG2 3.44Å; Y125-T653 PolarHBondContact OH-OG1 2.95Å; I128-T653 HydrophobicContact CG2-CG2 4.19Å; C641-T653 HydrophobicContact CB-CG2 3.72Å; T653-T673 PolarHBondContact OG1-O 3.08Å
654	W	92.9	Very high	81.1	Confident	3 Å²	3	41.2 Å²	41.2	1%	0.011	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	107.7	-179.6	-55.3	76.3	0	0	0	110	K15 F18 K26 L27 I627 C641 I642 T644 R656	K15-W654 VanDerWaalsContact O-CH2 3.23Å; K15-W654 WeakPolarHBondContact O-CH2 3.24Å; F18-W654 HydrophobicContact CD1-CE3 4.12Å; F18-W654 HydrophobicContact CD1-CZ3 4.05Å; F18-W654 HydrophobicContact CE1-CD2 4.31Å; F18-W654 AromaticContact CE1-CE3 3.72Å; F18-W654 HydrophobicContact CE1-CE3 3.72Å; F18-W654 HydrophobicContact CE1-CZ3 4.05Å; K26-W654 CarbonylContact O-C 3.46Å; K26-W654 WeakPolarHBondContact O-CA 3.2Å; L27-W654 HydrophobicContact CB-CD2 4.24Å; L27-W654 HydrophobicContact CB-CE3 3.87Å; L27-W654 HydrophobicContact CB-CH2 4.2Å; L27-W654 HydrophobicContact CB-CZ3 3.88Å; L27-W654 HydrophobicContact CD1-CD2 4.17Å; L27-W654 HydrophobicContact CD1-CZ2 4.13Å; I627-W654 HydrophobicContact CB-CH2 3.8Å; I627-W654 HydrophobicContact CB-CZ2 3.7Å; I627-W654 HydrophobicContact CD1-CZ2 3.9Å; I627-W654 HydrophobicContact CG1-CZ2 4.42Å; I627-W654 HydrophobicContact CG2-CH2 3.53Å; I627-W654 HydrophobicContact CG2-CZ2 3.86Å; I627-W654 HydrophobicContact CG2-CZ3 4.43Å; C641-W654 CarbonylContact C-O 3.56Å; C641-W654 WeakPolarHBondContact CA-O 3.49Å; C641-W654 WeakPolarHBondContact CB-O 3.35Å; I642-W654 HydrophobicContact CB-CB 4.16Å; I642-W654 PolarHBondContact N-O 3.13Å; I642-W654 VanDerWaalsContact O-CD1 3.27Å; I642-W654 PolarHBondContact O-N 2.8Å; T644-W654 PolarHBondContact OG1-NE1 2.85Å; W654-R656 PolarHBondContact O-N 3.02Å
655	A	92.7	Very high	78	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	136.5	178.9	0	0	0	0	0	111.4	Y25 K26 L28 I128 A660	Y25-A655 VanDerWaalsContact CA-O 3.28Å; Y25-A655 WeakPolarHBondContact CA-O 3.47Å; K26-A655 PolarHBondContact N-O 3.19Å; K26-A655 VanDerWaalsContact N-O 3.16Å; K26-A655 PolarHBondContact O-N 3.21Å; L28-A655 HydrophobicContact CD1-CB 4.04Å; L28-A655 HydrophobicContact CD2-CB 3.77Å; L28-A655 HydrophobicContact CG-CB 3.93Å; I128-A655 HydrophobicContact CG2-CB 4.25Å; A655-A660 HydrophobicContact CB-CB 3.86Å
656	R	94.1	Very high	75	Confident	13 Å²	13	57 Å²	57	5%	0.049	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-69.5	157.9	171.4	-72.2	-177.4	-177.2	-92.5	9.1	111.7	Y25 D360 M638 D639 D640 W654 G658 K659	Y25-R656 HydrophobicContact CD1-CG 4.33Å; Y25-R656 HydrophobicContact CE1-CB 4.34Å; Y25-R656 HydrophobicContact CE1-CG 3.77Å; D360-R656 VanDerWaalsContact CG-NH2 3.32Å; D360-R656 IonicContact OD1-CZ 3.74Å; D360-R656 IonicContact OD1-NH1 3.97Å; D360-R656 IonicContact OD1-NH2 3.8Å; D360-R656 PolarHBondContact OD1-NH2 3.07Å; D360-R656 IonicContact OD2-CZ 3.01Å; D360-R656 IonicContact OD2-NH1 2.72Å; D360-R656 PolarHBondContact OD2-NH1 3.45Å; D360-R656 IonicContact OD2-NH2 3.73Å; D360-R656 PolarHBondContact OD2-NH2 3.43Å; M638-R656 PolarHBondContact O-NE 3.4Å; M638-R656 PolarHBondContact O-NH2 3.04Å; D639-R656 WeakPolarHBondContact O-CD 3.24Å; D640-R656 WeakPolarHBondContact O-CB 3.32Å; D640-R656 PolarHBondContact O-N 3.41Å; W654-R656 PolarHBondContact O-N 3.02Å; R656-G658 PolarHBondContact O-N 3.36Å; R656-K659 HydrophobicContact CB-CB 4.4Å; R656-K659 HydrophobicContact CB-CG 4.04Å; R656-K659 PolarHBondContact O-N 2.94Å; R656-K659 VanDerWaalsContact O-N 3.17Å
657	P	92.4	Very high	71.9	Confident	30 Å²	30	60.9 Å²	60.9	20%	0.195	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	134.3	173.7	-26.1	34.9	0	0	0	112.3	E22 G23 F24 Y25 K659	E22-P657 HydrophobicContact CB-CB 4.44Å; E22-P657 HydrophobicContact CB-CG 3.94Å; E22-P657 WeakPolarHBondContact O-CB 3.27Å; G23-P657 VanDerWaalsContact C-CG 3.49Å; F24-P657 WeakPolarHBondContact O-CA 3.38Å; Y25-P657 HydrophobicContact CD2-CG 3.85Å; Y25-P657 HydrophobicContact CE2-CG 3.61Å; P657-K659 PolarHBondContact O-N 3.46Å; P657-K659 VanDerWaalsContact O-N 3.12Å
658	G	85.1	Confident	68.9	Low	66 Å²	66	66.1 Å²	66.1	68%	0.68	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-15	179	0	0	0	0	0	115.8	R656	R656-G658 PolarHBondContact O-N 3.36Å
659	K	82	Confident	66.3	Low	78 Å²	78	66.3 Å²	66.3	34%	0.339	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-31.6	-177.8	-66	-78	-170	157.8	0	113	I128 D639 D640 R656 P657 N661	I128-K659 VanDerWaalsContact CD1-C 3.43Å; I128-K659 HydrophobicContact CD1-CB 3.64Å; I128-K659 WeakPolarHBondContact CD1-O 3.41Å; D639-K659 IonicContact OD2-NZ 3.59Å; D640-K659 HydrophobicContact CB-CB 4.28Å; D640-K659 HydrophobicContact CB-CD 4.03Å; D640-K659 HydrophobicContact CB-CG 4.21Å; R656-K659 HydrophobicContact CB-CB 4.4Å; R656-K659 HydrophobicContact CB-CG 4.04Å; R656-K659 PolarHBondContact O-N 2.94Å; R656-K659 VanDerWaalsContact O-N 3.17Å; P657-K659 PolarHBondContact O-N 3.46Å; P657-K659 VanDerWaalsContact O-N 3.12Å; K659-N661 VanDerWaalsContact C-N 3.26Å; K659-N661 PolarHBondContact O-N 3.34Å
660	A	65.1	Low	63.8	Low	21 Å²	21	69 Å²	69	17%	0.174	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.9	-178.2	0	0	0	0	0	115.6	A655	A655-A660 HydrophobicContact CB-CB 3.86Å
661	N	54.9	Low	61.3	Low	129 Å²	129	68 Å²	68	69%	0.69	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-0.1	-171	-76.7	-10.6	0	0	0	114.7	K659 T663	K659-N661 VanDerWaalsContact C-N 3.26Å; K659-N661 PolarHBondContact O-N 3.34Å; N661-T663 PolarHBondContact O-N 2.97Å; N661-T663 VanDerWaalsContact O-N 3.17Å
662	L	48.5	Very low	58.8	Low	147 Å²	147	67.7 Å²	67.7	77%	0.77	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	1.8	-175.2	-75.5	167.1	0	0	0	114.9
663	T	41.3	Very low	56.5	Low	61 Å²	61	66.9 Å²	66.9	37%	0.374	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	5.6	-178.3	47.5	0	0	0	0	115.5	N661 Q665	N661-T663 PolarHBondContact O-N 2.97Å; N661-T663 VanDerWaalsContact O-N 3.17Å; T663-Q665 PolarHBondContact O-N 2.82Å
664	A	34.1	Very low	54.1	Low	86 Å²	86	67.7 Å²	67.7	71%	0.711	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	25.6	176.7	0	0	0	0	0	114.5
665	Q	32.8	Very low	51.8	Low	193 Å²	193	68.2 Å²	68.2	90%	0.902	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-7.3	170.6	-87.8	-165.5	-5	0	0	114.2	T663	T663-Q665 PolarHBondContact O-N 2.82Å
666	N	31.1	Very low	49.8	Very low	145 Å²	145	71.6 Å²	71.6	78%	0.775	45%	0.445	S	S	*	.	S	Bend	trans	-140.1	80.8	172.9	-92	-19.5	0	0	0	111	N668	N666-N668 PolarHBondContact O-N 3.26Å
667	G	29.5	Very low	47.5	Very low	86 Å²	86	74.7 Å²	74.7	89%	0.887	47%	0.466	S	S	*	.	S	Bend	trans	51	-8.3	149.8	0	0	0	0	0	122.1
668	N	32.3	Very low	45	Very low	138 Å²	138	77.2 Å²	77.2	74%	0.738	48%	0.481	S	S	*	.			trans	-112.5	124.5	-176.2	-80.4	9	0	0	0	108.8	N666	N666-N668 PolarHBondContact O-N 3.26Å
669	S	33.9	Very low	42.6	Very low	106 Å²	106	77.8 Å²	77.8	74%	0.741	47%	0.469	S	S	*	.			trans	-50.7	142.1	170.4	-58.1	0	0	0	0	110.6	S671	S669-S671 PolarHBondContact O-N 3.49Å
670	P	34.6	Very low	40.2	Very low	61 Å²	61	77.8 Å²	77.8	40%	0.396	48%	0.477	S	S	.	.			trans	-58.5	110.9	178	22.6	-31.3	0	0	0	109.4	G672	P670-G672 PolarHBondContact O-N 2.89Å
671	S	37.7	Very low	38.5	Very low	36 Å²	36	81.6 Å²	81.6	25%	0.252	50%	0.497	S	S	.	.			trans	-83.9	105.7	178.1	176.7	0	0	0	0	108.1	A131 S669	A131-S671 VanDerWaalsContact CB-OG 3.29Å; A131-S671 WeakPolarHBondContact CB-OG 3.37Å; A131-S671 PolarHBondContact N-O 3.44Å; S669-S671 PolarHBondContact O-N 3.49Å
672	G	37.5	Very low	37.3	Very low	1 Å²	1	78.2 Å²	78.2	1%	0.01	48%	0.483	C	S	.	.			trans	-78.8	147.2	174.2	0	0	0	0	0	113.3	L30 P670 V674	L30-G672 WeakPolarHBondContact CD2-O 3.23Å; L30-G672 WeakPolarHBondContact CG-O 3.46Å; L30-G672 PolarHBondContact N-O 3.44Å; P670-G672 PolarHBondContact O-N 2.89Å; G672-V674 PolarHBondContact O-N 3.49Å
673	T	41.7	Very low	36.5	Very low	1 Å²	1	72.9 Å²	72.9	1%	0.006	46%	0.461	C	S	.	.			trans	-80.4	110.3	170.8	-46.8	0	0	0	0	109.9	A131 V132 T653 V675	A131-T673 WeakPolarHBondContact CA-OG1 3.24Å; V132-T673 HydrophobicContact CB-CG2 3.57Å; V132-T673 HydrophobicContact CG2-CG2 3.58Å; V132-T673 PolarHBondContact N-OG1 3Å; V132-T673 VanDerWaalsContact N-OG1 3.11Å; T653-T673 PolarHBondContact OG1-O 3.08Å; T673-V675 HydrophobicContact CG2-CB 4.36Å; T673-V675 HydrophobicContact CG2-CG2 3.21Å
674	V	42.7	Very low	36.1	Very low	20 Å²	20	73.9 Å²	73.9	12%	0.121	47%	0.469	C	S	.	.	B	Isolated β-bridge	trans	-93	107.5	147.7	-179.3	0	0	0	0	105	L30 L650 I651 G672	L30-V674 HydrophobicContact CD1-CB 4.34Å; L30-V674 WeakPolarHBondContact CD1-O 3.48Å; L650-V674 HydrophobicContact CD2-CG1 4.13Å; I651-V674 VanDerWaalsContact O-CA 3.29Å; I651-V674 WeakPolarHBondContact O-CA 3.17Å; G672-V674 PolarHBondContact O-N 3.49Å
675	V	44.8	Very low	36.2	Very low	14 Å²	14	72.8 Å²	72.8	9%	0.085	45%	0.447	C	S	.	.			trans	-84.8	0	170.9	-176.1	0	0	0	0	109.3	F114 L134 I651 T673	F114-V675 HydrophobicContact CD1-CG1 4.31Å; F114-V675 HydrophobicContact CE1-CB 4.4Å; F114-V675 HydrophobicContact CE1-CG1 3.36Å; F114-V675 HydrophobicContact CE2-CG1 3.89Å; F114-V675 HydrophobicContact CZ-CB 4.42Å; F114-V675 HydrophobicContact CZ-CG1 3.12Å; L134-V675 HydrophobicContact CD1-CG1 4.36Å; L134-V675 HydrophobicContact CD2-CB 3.98Å; L134-V675 HydrophobicContact CD2-CG1 3.4Å; L134-V675 HydrophobicContact CD2-CG2 3.95Å; I651-V675 HydrophobicContact CB-CB 4.04Å; I651-V675 HydrophobicContact CD1-CB 4.08Å; I651-V675 HydrophobicContact CD1-CG1 4.32Å; I651-V675 HydrophobicContact CG1-CB 4.43Å; I651-V675 PolarHBondContact N-O 3.17Å; I651-V675 PolarHBondContact O-N 3.39Å; I651-V675 VanDerWaalsContact O-N 3.07Å; T673-V675 HydrophobicContact CG2-CB 4.36Å; T673-V675 HydrophobicContact CG2-CG2 3.21Å

Retrieved 675 of 675 residues in 733 ms (Link to these results)

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