A0A087XHL2_POEFO Loading...

Pyridine nucleotide-disulfide oxidoreductase domain-containing protein 1

Probable FAD-dependent oxidoreductase; involved in the cellular oxidative stress response. Required for normal sarcomere structure and muscle fiber integrity.

AlphaFold DB , UniProt , Accession A0A087XHL2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 447 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	V	40.2	Very low	53.2	Low	149 Å²	149	92.5 Å²	92.5	90%	0.903	45%	0.448	S	S	*	.				0	98.8	0	-158.8	0	0	0	0	109.3	R3 E416	V1-R3 PolarHBondContact O-N 2.9Å; V1-E416 VanDerWaalsContact CA-CD 3.4Å; V1-E416 WeakPolarHBondContact CA-OE1 3.15Å; V1-E416 WeakPolarHBondContact CA-OE2 3.29Å; V1-E416 PolarHBondContact N-OE1 3.26Å
2	S	44.7	Very low	53.7	Low	35 Å²	35	91.6 Å²	91.6	25%	0.245	44%	0.442	C	S	.	.			trans	-70.8	73.8	-158.2	65.2	0	0	0	0	115.4	R4 L5 E416 E419	S2-R4 PolarHBondContact O-N 3.3Å; S2-L5 PolarHBondContact O-N 3.41Å; S2-E416 PolarHBondContact N-OE2 2.99Å; S2-E419 WeakPolarHBondContact CB-OE2 3.42Å
3	R	48.5	Very low	54.8	Low	229 Å²	229	89 Å²	89	86%	0.864	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-5	175.1	-70.4	-172.8	-178.1	174.9	2.3	115.1	V1	V1-R3 PolarHBondContact O-N 2.9Å
4	R	52.5	Low	56.4	Low	26 Å²	26	84.7 Å²	84.7	10%	0.098	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-24.7	-179	-59.9	-166.6	-163.1	-121.7	-5.6	114.2	S2 E6 F350 C351 L354 E419	S2-R4 PolarHBondContact O-N 3.3Å; R4-E6 PolarHBondContact O-N 3.06Å; R4-F350 PolarHBondContact NH1-O 3.2Å; R4-F350 VanDerWaalsContact NH2-CZ 3.26Å; R4-F350 PolarHBondContact NH2-O 2.92Å; R4-C351 PolarHBondContact NH1-O 3.29Å; R4-L354 PolarHBondContact NH1-O 2.94Å; R4-E419 WeakPolarHBondContact CD-OE1 3.44Å; R4-E419 VanDerWaalsContact CG-OE1 3.29Å; R4-E419 WeakPolarHBondContact CG-OE1 3.28Å; R4-E419 IonicContact NE-OE1 3.26Å; R4-E419 PolarHBondContact NE-OE1 3.14Å
5	L	57	Low	58	Low	34 Å²	34	80.1 Å²	80.1	18%	0.178	39%	0.391	C	S	.	.			trans	-96.8	85.7	-174.8	-59.1	176.5	0	0	0	109	S2 V358 V367 L369 E415	S2-L5 PolarHBondContact O-N 3.41Å; L5-V358 HydrophobicContact CB-CG2 4.09Å; L5-V358 HydrophobicContact CD2-CG2 3.57Å; L5-V358 HydrophobicContact CG-CG2 4.39Å; L5-V367 HydrophobicContact CD1-CG1 4.36Å; L5-V367 HydrophobicContact CD2-CG1 3.85Å; L5-L369 HydrophobicContact CD2-CD2 4.29Å; L5-E415 HydrophobicContact CD1-CB 3.59Å; L5-E415 HydrophobicContact CD1-CG 4.22Å
6	E	60.3	Low	59.6	Low	77 Å²	77	77.9 Å²	77.9	36%	0.36	39%	0.386	S	S	.	.			trans	-101.6	114.3	176.4	-67.9	-173.5	-122	0	0	110.3	R4 W323 R327	R4-E6 PolarHBondContact O-N 3.06Å; E6-W323 VanDerWaalsContact O-CH2 3.3Å; E6-W323 WeakPolarHBondContact O-CH2 3.25Å; E6-R327 VanDerWaalsContact CD-NH2 3.31Å; E6-R327 IonicContact OE1-CZ 3.44Å; E6-R327 IonicContact OE1-NH1 2.7Å; E6-R327 PolarHBondContact OE1-NH1 3.05Å; E6-R327 IonicContact OE1-NH2 3.22Å; E6-R327 PolarHBondContact OE1-NH2 2.74Å; E6-R327 VanDerWaalsContact OE1-NH2 3.16Å; E6-R327 IonicContact OE2-CZ 3.91Å; E6-R327 VanDerWaalsContact OE2-CZ 3.26Å; E6-R327 IonicContact OE2-NH1 3.53Å; E6-R327 PolarHBondContact OE2-NH1 2.95Å; E6-R327 IonicContact OE2-NH2 2.73Å; E6-R327 PolarHBondContact OE2-NH2 3.25Å
7	E	60	Low	61.3	Low	139 Å²	139	76.1 Å²	76.1	65%	0.65	38%	0.38	S	S	*	.			trans	-79.7	144.8	151.5	-66.2	-176.4	-168	0	0	108.1	V358	E7-V358 HydrophobicContact CG-CG1 4.14Å
8	F	57.5	Low	62.7	Low	87 Å²	87	74.5 Å²	74.5	38%	0.382	37%	0.372	S	S	.	.			trans	-134.7	131.6	177.1	70.1	-79.7	0	0	0	113	V10 P193 W323	F8-V10 HydrophobicContact CD2-CG1 3.88Å; F8-V10 HydrophobicContact CE2-CG1 3.85Å; F8-V10 WeakPolarHBondContact O-CG2 3.42Å; F8-P193 HydrophobicContact CD1-CG 4.28Å; F8-P193 HydrophobicContact CE1-CG 3.39Å; F8-P193 VanDerWaalsContact CZ-CD 3.43Å; F8-P193 HydrophobicContact CZ-CG 3.58Å; F8-W323 HydrophobicContact CD1-CE3 4.2Å; F8-W323 AromaticContact CD1-CH2 3.49Å; F8-W323 HydrophobicContact CD1-CH2 3.49Å; F8-W323 VanDerWaalsContact CD1-CH2 3.49Å; F8-W323 AromaticContact CD1-CZ2 3.99Å; F8-W323 HydrophobicContact CD1-CZ2 3.99Å; F8-W323 AromaticContact CD1-CZ3 3.62Å; F8-W323 HydrophobicContact CD1-CZ3 3.62Å; F8-W323 AromaticContact CE1-CD2 3.67Å; F8-W323 HydrophobicContact CE1-CD2 3.67Å; F8-W323 AromaticContact CE1-CE2 3.8Å; F8-W323 AromaticContact CE1-CE3 3.38Å; F8-W323 HydrophobicContact CE1-CE3 3.38Å; F8-W323 AromaticContact CE1-CH2 3.44Å; F8-W323 HydrophobicContact CE1-CH2 3.44Å; F8-W323 VanDerWaalsContact CE1-CH2 3.44Å; F8-W323 AromaticContact CE1-CZ2 3.7Å; F8-W323 HydrophobicContact CE1-CZ2 3.7Å; F8-W323 AromaticContact CE1-CZ3 3.27Å; F8-W323 HydrophobicContact CE1-CZ3 3.27Å; F8-W323 HydrophobicContact CZ-CD2 4.34Å; F8-W323 HydrophobicContact CZ-CE3 4.03Å; F8-W323 HydrophobicContact CZ-CZ3 4.25Å
9	D	52.5	Low	64	Low	117 Å²	117	74.3 Å²	74.3	63%	0.626	37%	0.37	S	S	*	.			trans	-80.8	172.3	166.3	-114.5	-16.9	0	0	0	111.3	C153	D9-C153 PolarHBondContact OD1-SG 3.39Å
10	V	58.5	Low	65.4	Low	28 Å²	28	78.3 Å²	78.3	17%	0.17	39%	0.388	C	S	.	.			trans	-161	146.3	-147.5	-113.9	0	0	0	0	111.8	F8 K154 R155 Q156	F8-V10 HydrophobicContact CD2-CG1 3.88Å; F8-V10 HydrophobicContact CE2-CG1 3.85Å; F8-V10 WeakPolarHBondContact O-CG2 3.42Å; V10-K154 CarbonylContact C-O 3.56Å; V10-K154 VanDerWaalsContact CB-O 3.3Å; V10-K154 WeakPolarHBondContact CB-O 3.42Å; V10-K154 WeakPolarHBondContact CG2-O 3.37Å; V10-K154 CarbonylContact O-C 3.6Å; V10-K154 WeakPolarHBondContact O-CA 3.5Å; V10-K154 WeakPolarHBondContact O-CB 3.44Å; V10-R155 VanDerWaalsContact C-C 3.47Å; V10-R155 HydrophobicContact CB-CB 3.84Å; V10-R155 HydrophobicContact CB-CG 4.33Å; V10-R155 HydrophobicContact CG2-CB 3.79Å; V10-R155 HydrophobicContact CG2-CG 4.35Å; V10-R155 PolarHBondContact O-N 2.61Å; V10-Q156 HydrophobicContact CB-CB 3.61Å; V10-Q156 HydrophobicContact CG1-CB 3.14Å; V10-Q156 HydrophobicContact CG1-CG 4.43Å
11	E	54.1	Low	66.8	Low	97 Å²	97	81.2 Å²	81.2	45%	0.453	40%	0.398	S	S	.	.			trans	-156.3	113.8	179.8	-163.9	-167.5	159.7	0	0	113.8	K13 R155 Q156	E11-K13 WeakPolarHBondContact OE1-CE 3.37Å; E11-K13 IonicContact OE1-NZ 3.22Å; E11-K13 PolarHBondContact OE1-NZ 2.65Å; E11-K13 VanDerWaalsContact OE2-CE 3.28Å; E11-K13 WeakPolarHBondContact OE2-CE 3.24Å; E11-K13 IonicContact OE2-NZ 3.91Å; E11-K13 PolarHBondContact OE2-NZ 3.47Å; E11-R155 CarbonylContact C-O 3.43Å; E11-R155 WeakPolarHBondContact CA-O 3.37Å; E11-R155 PolarHBondContact N-O 2.76Å; E11-Q156 VanDerWaalsContact C-CA 3.49Å; E11-Q156 VanDerWaalsContact N-CA 3.29Å; E11-Q156 VanDerWaalsContact O-CG 3.27Å; E11-Q156 WeakPolarHBondContact O-CG 3.36Å; E11-Q156 PolarHBondContact O-NE2 2.97Å
12	E	58.3	Low	69.3	Low	81 Å²	81	79.1 Å²	79.1	38%	0.379	38%	0.375	S	S	.	.			trans	-72.3	128.4	-169.4	177	161.6	-163.1	0	0	113.1	R155 R157 T159	E12-R155 PolarHBondContact N-O 2.78Å; E12-R157 WeakPolarHBondContact CA-O 3.3Å; E12-R157 HydrophobicContact CB-CB 4.23Å; E12-R157 HydrophobicContact CG-CB 3.84Å; E12-R157 HydrophobicContact CG-CG 4.38Å; E12-R157 WeakPolarHBondContact OE1-CD 3.49Å; E12-R157 IonicContact OE1-CZ 3.01Å; E12-R157 IonicContact OE1-NE 3.64Å; E12-R157 IonicContact OE1-NH1 3.25Å; E12-R157 PolarHBondContact OE1-NH1 3.39Å; E12-R157 IonicContact OE2-NH1 3.75Å; E12-T159 HydrophobicContact CG-CG2 4.08Å; E12-T159 WeakPolarHBondContact OE1-CG2 3.29Å
13	K	68.1	Low	71.6	Confident	58 Å²	58	83.4 Å²	83.4	25%	0.252	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.4	-168.8	-68.7	-175.8	-172.2	177.6	0	113.2	E11 V17 R157 F158 T159	E11-K13 WeakPolarHBondContact OE1-CE 3.37Å; E11-K13 IonicContact OE1-NZ 3.22Å; E11-K13 PolarHBondContact OE1-NZ 2.65Å; E11-K13 VanDerWaalsContact OE2-CE 3.28Å; E11-K13 WeakPolarHBondContact OE2-CE 3.24Å; E11-K13 IonicContact OE2-NZ 3.91Å; E11-K13 PolarHBondContact OE2-NZ 3.47Å; K13-V17 HydrophobicContact CB-CG2 4.16Å; K13-V17 HydrophobicContact CD-CG1 4.15Å; K13-V17 HydrophobicContact CD-CG2 4.44Å; K13-R157 PolarHBondContact N-O 3.17Å; K13-F158 HydrophobicContact CB-CE1 4.48Å; K13-F158 WeakPolarHBondContact O-CA 3.44Å; K13-T159 PolarHBondContact O-N 2.92Å; K13-T159 VanDerWaalsContact O-N 3.17Å
14	P	77.9	Confident	73.7	Confident	29 Å²	29	79.4 Å²	79.4	19%	0.188	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	151.4	168.8	-20.3	33	0	0	0	112	S16 V17 P163	P14-S16 PolarHBondContact O-N 2.77Å; P14-V17 PolarHBondContact O-N 3.48Å; P14-P163 HydrophobicContact CG-CG 3.96Å
15	S	80.3	Confident	75.7	Confident	16 Å²	16	81.5 Å²	81.5	11%	0.112	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-36.2	174.4	54.5	0	0	0	0	113.3	V17 L18 I27 H29 T159	S15-V17 PolarHBondContact O-N 3.03Å; S15-L18 WeakPolarHBondContact O-CB 3.32Å; S15-L18 PolarHBondContact O-N 3.14Å; S15-I27 WeakPolarHBondContact O-CD1 3.34Å; S15-H29 WeakPolarHBondContact CB-NE2 3.43Å; S15-H29 PolarHBondContact OG-NE2 3.46Å; S15-T159 PolarHBondContact N-O 2.95Å
16	S	83.2	Confident	77.4	Confident	45 Å²	45	85 Å²	85	32%	0.315	44%	0.436	S	S	.	.	H	α-helix	trans	-53.4	-29.4	-179.2	66.7	0	0	0	0	114.2	P14 L18 E19 E20	P14-S16 PolarHBondContact O-N 2.77Å; S16-L18 PolarHBondContact O-N 3.3Å; S16-L18 VanDerWaalsContact O-N 3.16Å; S16-E19 PolarHBondContact O-N 3.38Å; S16-E20 WeakPolarHBondContact O-CG 3.33Å; S16-E20 PolarHBondContact O-N 2.98Å
17	V	88.1	Confident	78.9	Confident	47 Å²	47	83.5 Å²	83.5	29%	0.285	43%	0.43	S	S	.	.	H	α-helix	trans	-58.8	-29.4	177.3	176.4	0	0	0	0	112	K13 P14 S15 K21	K13-V17 HydrophobicContact CB-CG2 4.16Å; K13-V17 HydrophobicContact CD-CG1 4.15Å; K13-V17 HydrophobicContact CD-CG2 4.44Å; P14-V17 PolarHBondContact O-N 3.48Å; S15-V17 PolarHBondContact O-N 3.03Å; V17-K21 WeakPolarHBondContact O-CB 3.39Å; V17-K21 PolarHBondContact O-N 2.61Å
18	L	86.6	Confident	80.4	Confident	47 Å²	47	80.1 Å²	80.1	25%	0.246	42%	0.416	C	S	.	.	H	α-helix	trans	-75.8	-37.9	176.1	-63.9	173.3	0	0	0	111.8	S15 S16 K21 Y22 L25 I27 F158	S15-L18 WeakPolarHBondContact O-CB 3.32Å; S15-L18 PolarHBondContact O-N 3.14Å; S16-L18 PolarHBondContact O-N 3.3Å; S16-L18 VanDerWaalsContact O-N 3.16Å; L18-K21 PolarHBondContact O-N 3.17Å; L18-Y22 HydrophobicContact CD2-CE2 4.45Å; L18-Y22 WeakPolarHBondContact O-CB 3.29Å; L18-Y22 WeakPolarHBondContact O-CD2 3.39Å; L18-Y22 PolarHBondContact O-N 3.09Å; L18-L25 HydrophobicContact CB-CD2 3.64Å; L18-I27 HydrophobicContact CB-CD1 3.96Å; L18-I27 HydrophobicContact CD1-CD1 4.06Å; L18-F158 HydrophobicContact CD1-CD1 4.01Å; L18-F158 HydrophobicContact CD1-CE1 3.95Å; L18-F158 HydrophobicContact CD1-CG 4.45Å; L18-F158 HydrophobicContact CD1-CZ 4.34Å; L18-F158 HydrophobicContact CD2-CE1 3.93Å; L18-F158 HydrophobicContact CD2-CZ 4.03Å; L18-F158 HydrophobicContact CG-CD1 4.24Å; L18-F158 HydrophobicContact CG-CE1 3.81Å; L18-F158 HydrophobicContact CG-CZ 4.35Å
19	E	88.4	Confident	81.9	Confident	71 Å²	71	80.6 Å²	80.6	33%	0.332	42%	0.419	S	S	.	.	H	α-helix	trans	-71.3	-38.7	176.6	-60.4	-176.8	117.1	0	0	111.7	S16 K21 Y22 T26 I27	S16-E19 PolarHBondContact O-N 3.38Å; E19-K21 VanDerWaalsContact C-N 3.28Å; E19-K21 PolarHBondContact O-N 3.25Å; E19-Y22 CarbonylContact O-C 3.42Å; E19-Y22 PolarHBondContact O-N 2.89Å; E19-T26 WeakPolarHBondContact OE1-CA 3.28Å; E19-I27 HydrophobicContact CG-CB 4.28Å; E19-I27 HydrophobicContact CG-CD1 4.06Å; E19-I27 HydrophobicContact CG-CG1 3.88Å; E19-I27 PolarHBondContact OE1-N 3.22Å
20	E	91.7	Very high	83.7	Confident	154 Å²	154	77 Å²	77	72%	0.72	40%	0.403	S	S	*	.	H	α-helix	trans	-60.6	-37.7	171.2	-73	175.3	-161.4	0	0	112.1	S16	S16-E20 WeakPolarHBondContact O-CG 3.33Å; S16-E20 PolarHBondContact O-N 2.98Å
21	K	93.8	Very high	85.3	Confident	139 Å²	139	78.8 Å²	78.8	60%	0.604	42%	0.421	S	S	*	.	H	α-helix	trans	-80.1	-32.7	-179	-173.1	179.2	179.6	-161.7	0	113.1	V17 L18 E19	V17-K21 WeakPolarHBondContact O-CB 3.39Å; V17-K21 PolarHBondContact O-N 2.61Å; L18-K21 PolarHBondContact O-N 3.17Å; E19-K21 VanDerWaalsContact C-N 3.28Å; E19-K21 PolarHBondContact O-N 3.25Å
22	Y	93.4	Very high	87.2	Confident	105 Å²	105	76.7 Å²	76.7	41%	0.412	41%	0.414	S	S	.	.			trans	-128	95.4	-175.1	-57	-68.8	0	0	0	110	L18 E19 N24 L25	L18-Y22 HydrophobicContact CD2-CE2 4.45Å; L18-Y22 WeakPolarHBondContact O-CB 3.29Å; L18-Y22 WeakPolarHBondContact O-CD2 3.39Å; L18-Y22 PolarHBondContact O-N 3.09Å; E19-Y22 CarbonylContact O-C 3.42Å; E19-Y22 PolarHBondContact O-N 2.89Å; Y22-N24 PolarHBondContact O-N 2.86Å; Y22-L25 HydrophobicContact CD2-CD2 4.46Å; Y22-L25 WeakPolarHBondContact O-CB 3.28Å; Y22-L25 PolarHBondContact O-N 2.91Å
23	S	92.4	Very high	88.9	Confident	126 Å²	126	78.7 Å²	78.7	88%	0.881	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-8	-177.1	56.9	0	0	0	0	115.4
24	N	93.7	Very high	90.2	Very high	144 Å²	144	77.1 Å²	77.1	77%	0.77	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	5.6	174.3	68.7	-61.4	0	0	0	113.4	Y22	Y22-N24 PolarHBondContact O-N 2.86Å
25	L	94.4	Very high	91.2	Very high	70 Å²	70	75.8 Å²	75.8	37%	0.366	41%	0.41	S	S	.	.			trans	-98.1	147.1	173	-175.5	64.4	0	0	0	109.7	L18 Y22 I27	L18-L25 HydrophobicContact CB-CD2 3.64Å; Y22-L25 HydrophobicContact CD2-CD2 4.46Å; Y22-L25 WeakPolarHBondContact O-CB 3.28Å; Y22-L25 PolarHBondContact O-N 2.91Å; L25-I27 HydrophobicContact CD2-CD1 4.38Å; L25-I27 HydrophobicContact CD2-CG1 4.38Å; L25-I27 HydrophobicContact CG-CG1 4.36Å
26	T	92.8	Very high	92	Very high	108 Å²	108	78.5 Å²	78.5	66%	0.663	42%	0.418	S	S	*	.			trans	-139.8	130.3	169.9	-57.3	0	0	0	0	108.3	E19	E19-T26 WeakPolarHBondContact OE1-CA 3.28Å
27	I	91.3	Very high	92.7	Very high	46 Å²	46	76.8 Å²	76.8	24%	0.236	41%	0.405	C	S	.	.			trans	-104.3	128.6	-177.9	-62.7	-179.1	0	0	0	109.2	S15 L18 E19 L25	S15-I27 WeakPolarHBondContact O-CD1 3.34Å; L18-I27 HydrophobicContact CB-CD1 3.96Å; L18-I27 HydrophobicContact CD1-CD1 4.06Å; E19-I27 HydrophobicContact CG-CB 4.28Å; E19-I27 HydrophobicContact CG-CD1 4.06Å; E19-I27 HydrophobicContact CG-CG1 3.88Å; E19-I27 PolarHBondContact OE1-N 3.22Å; L25-I27 HydrophobicContact CD2-CD1 4.38Å; L25-I27 HydrophobicContact CD2-CG1 4.38Å; L25-I27 HydrophobicContact CG-CG1 4.36Å
28	I	90.6	Very high	93.1	Very high	67 Å²	67	80.9 Å²	80.9	34%	0.344	42%	0.421	S	S	.	.			trans	-116.2	100.8	-175.8	-62.6	161.8	0	0	0	107.9	S30 F50	I28-S30 PolarHBondContact O-N 3.49Å; I28-F50 HydrophobicContact CD1-CD1 3.93Å; I28-F50 HydrophobicContact CD1-CE1 3.52Å; I28-F50 HydrophobicContact CD1-CE2 4.16Å; I28-F50 HydrophobicContact CD1-CG 4.41Å; I28-F50 HydrophobicContact CD1-CZ 3.64Å; I28-F50 HydrophobicContact CG1-CE1 4.42Å; I28-F50 HydrophobicContact CG1-CZ 4.27Å; I28-F50 HydrophobicContact CG2-CE2 4.12Å; I28-F50 HydrophobicContact CG2-CZ 3.99Å
29	H	89.1	Confident	93.6	Very high	98 Å²	98	82.1 Å²	82.1	45%	0.454	43%	0.43	S	S	.	.			trans	-74	90.9	172	-64.8	-78	0	0	0	109.6	S15 T160	S15-H29 WeakPolarHBondContact CB-NE2 3.43Å; S15-H29 PolarHBondContact OG-NE2 3.46Å; H29-T160 WeakPolarHBondContact CE1-CB 2.84Å; H29-T160 WeakPolarHBondContact CE1-CG2 3.27Å; H29-T160 VanDerWaalsContact NE2-CA 3.31Å; H29-T160 WeakPolarHBondContact NE2-CA 3.35Å
30	S	90.6	Very high	94	Very high	40 Å²	40	81.7 Å²	81.7	28%	0.28	43%	0.428	S	S	.	.	S	Bend	trans	-166	144.9	173.4	-150.6	0	0	0	0	111	I28 T44 D46	I28-S30 PolarHBondContact O-N 3.49Å; S30-T44 WeakPolarHBondContact OG-CB 3.43Å; S30-D46 VanDerWaalsContact CB-OD2 3.25Å; S30-D46 WeakPolarHBondContact CB-OD2 3.26Å; S30-D46 PolarHBondContact OG-OD2 3.22Å
31	A	92.2	Very high	94.3	Very high	66 Å²	66	75.8 Å²	75.8	55%	0.545	40%	0.403	S	S	.	.			trans	-70.7	138.4	172.4	0	0	0	0	0	110.6	K33 T44 A45	A31-K33 PolarHBondContact O-N 3.22Å; A31-T44 CarbonylContact O-C 3.56Å; A31-T44 VanDerWaalsContact O-CA 3.29Å; A31-T44 WeakPolarHBondContact O-CA 3.37Å; A31-A45 HydrophobicContact CB-CB 4.09Å; A31-A45 PolarHBondContact O-N 3.08Å
32	V	94.6	Very high	94.5	Very high	53 Å²	53	70.1 Å²	70.1	32%	0.321	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.3	168	176.7	0	0	0	0	108.6	V42 F273	V32-V42 HydrophobicContact CB-CG1 4.45Å; V32-V42 HydrophobicContact CG1-CG1 3.81Å; V32-V42 HydrophobicContact CG2-CG1 3.9Å; V32-F273 HydrophobicContact CB-CE1 4.38Å; V32-F273 HydrophobicContact CG1-CE1 3.87Å
33	K	94.3	Very high	94.7	Very high	123 Å²	123	66.8 Å²	66.8	54%	0.535	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-37.9	-179.4	175.3	-171.7	166.6	-155.9	0	111.9	A31 E43	A31-K33 PolarHBondContact O-N 3.22Å; K33-E43 WeakPolarHBondContact CB-O 3.31Å; K33-E43 WeakPolarHBondContact CE-OE1 3.33Å; K33-E43 PolarHBondContact N-O 3.2Å; K33-E43 IonicContact NZ-OE1 2.68Å; K33-E43 PolarHBondContact NZ-OE1 3.02Å
34	S	95.1	Very high	94.8	Very high	25 Å²	25	61 Å²	61	18%	0.175	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	154.4	172	66.6	0	0	0	0	111.9	E43	S34-E43 PolarHBondContact N-O 2.95Å; S34-E43 PolarHBondContact O-N 2.84Å
35	L	97.9	Very high	94.8	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.1	169.1	172.9	60.2	0	0	0	109.3	T37 V42 Y52 L55 I57 F273 N277 F279 V300	L35-T37 HydrophobicContact CD1-CG2 4.48Å; L35-T37 HydrophobicContact CD2-CG2 3.95Å; L35-T37 HydrophobicContact CG-CG2 3.94Å; L35-V42 HydrophobicContact CD1-CG2 3.99Å; L35-Y52 HydrophobicContact CD1-CE1 3.64Å; L35-L55 HydrophobicContact CD1-CD2 3.45Å; L35-L55 VanDerWaalsContact CD1-CD2 3.45Å; L35-L55 HydrophobicContact CD2-CD2 3.74Å; L35-L55 HydrophobicContact CG-CD2 4.27Å; L35-I57 HydrophobicContact CD2-CD1 4.04Å; L35-F273 HydrophobicContact CB-CD1 3.97Å; L35-F273 HydrophobicContact CD2-CB 4.32Å; L35-F273 HydrophobicContact CD2-CD1 3.98Å; L35-N277 PolarHBondContact O-ND2 2.99Å; L35-F279 HydrophobicContact CD2-CE2 3.99Å; L35-F279 HydrophobicContact CD2-CZ 3.7Å; L35-V300 HydrophobicContact CD2-CG1 4.5Å
36	R	97.7	Very high	94.8	Very high	73 Å²	73	57.7 Å²	57.7	28%	0.275	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	99.5	169.9	-65.7	-178.3	-73.5	-94.3	3.6	108.4	T39 H40 C41 E43	R36-T39 WeakPolarHBondContact CB-OG1 3.41Å; R36-T39 PolarHBondContact O-N 2.86Å; R36-H40 PolarHBondContact O-N 2.9Å; R36-H40 VanDerWaalsContact O-N 3.1Å; R36-C41 PolarHBondContact N-O 2.67Å; R36-C41 PolarHBondContact O-N 3.12Å; R36-E43 IonicContact CZ-OE2 3.08Å; R36-E43 IonicContact NH1-OE2 2.74Å; R36-E43 PolarHBondContact NH1-OE2 2.98Å; R36-E43 IonicContact NH2-OE2 2.84Å; R36-E43 PolarHBondContact NH2-OE2 3.45Å
37	T	97.9	Very high	94.8	Very high	8 Å²	8	55 Å²	55	5%	0.049	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-68.6	-49.3	-174.6	57.2	0	0	0	0	111.8	L35 T39 H40 N277 F279 E297 V300	L35-T37 HydrophobicContact CD1-CG2 4.48Å; L35-T37 HydrophobicContact CD2-CG2 3.95Å; L35-T37 HydrophobicContact CG-CG2 3.94Å; T37-T39 PolarHBondContact O-N 3.27Å; T37-H40 PolarHBondContact O-CD2 3.41Å; T37-H40 PolarHBondContact O-N 3.39Å; T37-N277 HydrophobicContact CG2-CB 4.14Å; T37-N277 PolarHBondContact N-OD1 2.75Å; T37-N277 PolarHBondContact OG1-OD1 2.88Å; T37-N277 VanDerWaalsContact OG1-OD1 3.12Å; T37-F279 HydrophobicContact CG2-CE2 4.27Å; T37-F279 HydrophobicContact CG2-CZ 4.04Å; T37-E297 WeakPolarHBondContact CB-OE2 3.23Å; T37-E297 HydrophobicContact CG2-CB 3.87Å; T37-E297 HydrophobicContact CG2-CG 3.92Å; T37-E297 PolarHBondContact OG1-OE2 2.79Å; T37-V300 HydrophobicContact CG2-CG2 3.92Å
38	H	96.1	Very high	95.1	Very high	133 Å²	133	57.9 Å²	57.9	62%	0.616	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-55.4	-15.4	176	67.7	-84.5	0	0	0	116.1
39	T	97.2	Very high	95.4	Very high	73 Å²	73	58.4 Å²	58.4	45%	0.448	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-121.5	8.9	173.8	36.1	0	0	0	0	113.2	R36 T37 C41	R36-T39 WeakPolarHBondContact CB-OG1 3.41Å; R36-T39 PolarHBondContact O-N 2.86Å; T37-T39 PolarHBondContact O-N 3.27Å; T39-C41 VanDerWaalsContact C-N 3.3Å; T39-C41 PolarHBondContact O-N 3Å; T39-C41 PolarHBondContact O-SG 3.03Å
40	H	98.3	Very high	95.8	Very high	63 Å²	63	57 Å²	57	29%	0.292	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	48.2	-179.1	-64.9	-129.5	0	0	0	113.1	R36 T37 G51 Y52 D299	R36-H40 PolarHBondContact O-N 2.9Å; R36-H40 VanDerWaalsContact O-N 3.1Å; T37-H40 PolarHBondContact O-CD2 3.41Å; T37-H40 PolarHBondContact O-N 3.39Å; H40-G51 CarbonylContact O-C 3.26Å; H40-G51 VanDerWaalsContact O-CA 3.27Å; H40-G51 WeakPolarHBondContact O-CA 3.49Å; H40-Y52 VanDerWaalsContact C-CD1 3.44Å; H40-Y52 HydrophobicContact CB-CD1 4.4Å; H40-Y52 HydrophobicContact CB-CD2 4.12Å; H40-Y52 HydrophobicContact CB-CE1 4.27Å; H40-Y52 HydrophobicContact CB-CE2 3.97Å; H40-Y52 HydrophobicContact CB-CG 4.34Å; H40-Y52 VanDerWaalsContact CB-O 3.32Å; H40-Y52 WeakPolarHBondContact CB-O 3.43Å; H40-Y52 AromaticContact CG-CE2 3.99Å; H40-Y52 AromaticContact ND1-CE2 3.76Å; H40-Y52 VanDerWaalsContact O-CD1 3.29Å; H40-Y52 WeakPolarHBondContact O-CD1 3.5Å; H40-Y52 PolarHBondContact O-N 3.22Å; H40-D299 IonicContact CE1-OD2 2.68Å; H40-D299 PolarHBondContact CE1-OD2 2.95Å; H40-D299 VanDerWaalsContact CE1-OD2 3.24Å; H40-D299 IonicContact NE2-OD2 3.23Å
41	C	97.9	Very high	96.2	Very high	29 Å²	29	58.1 Å²	58.1	20%	0.196	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.4	-173.4	-77.7	0	0	0	0	112.7	R36 T39 V49 F50	R36-C41 PolarHBondContact N-O 2.67Å; R36-C41 PolarHBondContact O-N 3.12Å; T39-C41 VanDerWaalsContact C-N 3.3Å; T39-C41 PolarHBondContact O-N 3Å; T39-C41 PolarHBondContact O-SG 3.03Å; C41-V49 HydrophobicContact CB-CG1 4.14Å; C41-F50 CarbonylContact C-O 3.59Å; C41-F50 WeakPolarHBondContact CA-O 3.4Å
42	V	97.8	Very high	96.5	Very high	20 Å²	20	56.7 Å²	56.7	12%	0.121	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.1	168.4	-179.5	0	0	0	0	108.9	V32 L35 V49 F50 Y52 L55	V32-V42 HydrophobicContact CB-CG1 4.45Å; V32-V42 HydrophobicContact CG1-CG1 3.81Å; V32-V42 HydrophobicContact CG2-CG1 3.9Å; L35-V42 HydrophobicContact CD1-CG2 3.99Å; V42-V49 CarbonylContact O-C 3.54Å; V42-V49 WeakPolarHBondContact O-CA 3.39Å; V42-F50 PolarHBondContact N-O 3.2Å; V42-F50 PolarHBondContact O-N 3.05Å; V42-Y52 HydrophobicContact CG2-CD1 4.07Å; V42-Y52 HydrophobicContact CG2-CE1 4.17Å; V42-L55 HydrophobicContact CG2-CD1 4.17Å; V42-L55 HydrophobicContact CG2-CD2 4.13Å
43	E	96.3	Very high	96.6	Very high	36 Å²	36	60.6 Å²	60.6	17%	0.168	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.1	171.9	-176.3	177.9	139.6	0	0	109.8	K33 S34 R36 R48 V49	K33-E43 WeakPolarHBondContact CB-O 3.31Å; K33-E43 WeakPolarHBondContact CE-OE1 3.33Å; K33-E43 PolarHBondContact N-O 3.2Å; K33-E43 IonicContact NZ-OE1 2.68Å; K33-E43 PolarHBondContact NZ-OE1 3.02Å; S34-E43 PolarHBondContact N-O 2.95Å; S34-E43 PolarHBondContact O-N 2.84Å; R36-E43 IonicContact CZ-OE2 3.08Å; R36-E43 IonicContact NH1-OE2 2.74Å; R36-E43 PolarHBondContact NH1-OE2 2.98Å; R36-E43 IonicContact NH2-OE2 2.84Å; R36-E43 PolarHBondContact NH2-OE2 3.45Å; E43-R48 WeakPolarHBondContact CA-O 3.31Å; E43-V49 HydrophobicContact CB-CG2 4.43Å; E43-V49 HydrophobicContact CG-CG2 4.25Å
44	T	95.7	Very high	96.8	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	161.9	179.1	48.1	0	0	0	0	112.2	S30 A31 D46 G47 R48 F50	S30-T44 WeakPolarHBondContact OG-CB 3.43Å; A31-T44 CarbonylContact O-C 3.56Å; A31-T44 VanDerWaalsContact O-CA 3.29Å; A31-T44 WeakPolarHBondContact O-CA 3.37Å; T44-D46 PolarHBondContact O-N 2.82Å; T44-D46 PolarHBondContact OG1-OD1 2.94Å; T44-G47 PolarHBondContact O-N 2.75Å; T44-R48 PolarHBondContact N-O 2.77Å; T44-R48 WeakPolarHBondContact OG1-CB 3.32Å; T44-R48 PolarHBondContact OG1-N 3.28Å; T44-R48 PolarHBondContact OG1-O 2.91Å; T44-F50 HydrophobicContact CG2-CD2 4.23Å; T44-F50 HydrophobicContact CG2-CE2 3.92Å
45	A	93.5	Very high	96.9	Very high	66 Å²	66	56.8 Å²	56.8	55%	0.545	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.2	-175.9	0	0	0	0	0	113.7	A31 G47	A31-A45 HydrophobicContact CB-CB 4.09Å; A31-A45 PolarHBondContact O-N 3.08Å; A45-G47 PolarHBondContact O-N 2.75Å
46	D	93.3	Very high	96.9	Very high	78 Å²	78	58.5 Å²	58.5	42%	0.417	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-0.2	171.6	58.3	30.6	0	0	0	114.6	S30 T44 R48	S30-D46 VanDerWaalsContact CB-OD2 3.25Å; S30-D46 WeakPolarHBondContact CB-OD2 3.26Å; S30-D46 PolarHBondContact OG-OD2 3.22Å; T44-D46 PolarHBondContact O-N 2.82Å; T44-D46 PolarHBondContact OG1-OD1 2.94Å; D46-R48 VanDerWaalsContact CG-NE 3.34Å; D46-R48 WeakPolarHBondContact OD1-CB 3.36Å; D46-R48 WeakPolarHBondContact OD1-CG 3.5Å; D46-R48 PolarHBondContact OD1-N 3.09Å; D46-R48 IonicContact OD1-NE 2.76Å; D46-R48 PolarHBondContact OD1-NE 3.3Å; D46-R48 IonicContact OD2-CZ 3.24Å; D46-R48 VanDerWaalsContact OD2-CZ 3.23Å; D46-R48 IonicContact OD2-NE 3.47Å; D46-R48 PolarHBondContact OD2-NE 2.87Å; D46-R48 IonicContact OD2-NH2 3.59Å; D46-R48 PolarHBondContact OD2-NH2 2.84Å
47	G	94	Very high	97	Very high	51 Å²	51	55.3 Å²	55.3	53%	0.526	32%	0.316	S	S	.	.	S	Bend	trans	84.3	4.9	177.8	0	0	0	0	0	115.4	T44 A45	T44-G47 PolarHBondContact O-N 2.75Å; A45-G47 PolarHBondContact O-N 2.75Å
48	R	96.9	Very high	97	Very high	107 Å²	107	59 Å²	59	40%	0.404	34%	0.341	S	S	.	.			trans	-69.6	151.8	168.7	-61.9	179	-75.4	177.9	-10.1	110.5	E43 T44 D46 F50	E43-R48 WeakPolarHBondContact CA-O 3.31Å; T44-R48 PolarHBondContact N-O 2.77Å; T44-R48 WeakPolarHBondContact OG1-CB 3.32Å; T44-R48 PolarHBondContact OG1-N 3.28Å; T44-R48 PolarHBondContact OG1-O 2.91Å; D46-R48 VanDerWaalsContact CG-NE 3.34Å; D46-R48 WeakPolarHBondContact OD1-CB 3.36Å; D46-R48 WeakPolarHBondContact OD1-CG 3.5Å; D46-R48 PolarHBondContact OD1-N 3.09Å; D46-R48 IonicContact OD1-NE 2.76Å; D46-R48 PolarHBondContact OD1-NE 3.3Å; D46-R48 IonicContact OD2-CZ 3.24Å; D46-R48 VanDerWaalsContact OD2-CZ 3.23Å; D46-R48 IonicContact OD2-NE 3.47Å; D46-R48 PolarHBondContact OD2-NE 2.87Å; D46-R48 IonicContact OD2-NH2 3.59Å; D46-R48 PolarHBondContact OD2-NH2 2.84Å; R48-F50 HydrophobicContact CB-CD2 4.48Å; R48-F50 HydrophobicContact CB-CE2 3.58Å; R48-F50 HydrophobicContact CB-CZ 3.77Å; R48-F50 HydrophobicContact CG-CZ 4.48Å
49	V	97.6	Very high	97	Very high	78 Å²	78	54.8 Å²	54.8	47%	0.473	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.4	177.3	-178.5	0	0	0	0	108.8	C41 V42 E43	C41-V49 HydrophobicContact CB-CG1 4.14Å; V42-V49 CarbonylContact O-C 3.54Å; V42-V49 WeakPolarHBondContact O-CA 3.39Å; E43-V49 HydrophobicContact CB-CG2 4.43Å; E43-V49 HydrophobicContact CG-CG2 4.25Å
50	F	97.7	Very high	96.9	Very high	67 Å²	67	52 Å²	52	29%	0.294	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.5	-178.3	-58.4	-85.5	0	0	0	109.5	I28 C41 V42 T44 R48	I28-F50 HydrophobicContact CD1-CD1 3.93Å; I28-F50 HydrophobicContact CD1-CE1 3.52Å; I28-F50 HydrophobicContact CD1-CE2 4.16Å; I28-F50 HydrophobicContact CD1-CG 4.41Å; I28-F50 HydrophobicContact CD1-CZ 3.64Å; I28-F50 HydrophobicContact CG1-CE1 4.42Å; I28-F50 HydrophobicContact CG1-CZ 4.27Å; I28-F50 HydrophobicContact CG2-CE2 4.12Å; I28-F50 HydrophobicContact CG2-CZ 3.99Å; C41-F50 CarbonylContact C-O 3.59Å; C41-F50 WeakPolarHBondContact CA-O 3.4Å; V42-F50 PolarHBondContact N-O 3.2Å; V42-F50 PolarHBondContact O-N 3.05Å; T44-F50 HydrophobicContact CG2-CD2 4.23Å; T44-F50 HydrophobicContact CG2-CE2 3.92Å; R48-F50 HydrophobicContact CB-CD2 4.48Å; R48-F50 HydrophobicContact CB-CE2 3.58Å; R48-F50 HydrophobicContact CB-CZ 3.77Å; R48-F50 HydrophobicContact CG-CZ 4.48Å
51	G	98.1	Very high	96.7	Very high	65 Å²	65	49.4 Å²	49.4	67%	0.67	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	149.3	169.1	0	0	0	0	0	110.9	H40	H40-G51 CarbonylContact O-C 3.26Å; H40-G51 VanDerWaalsContact O-CA 3.27Å; H40-G51 WeakPolarHBondContact O-CA 3.49Å
52	Y	97.8	Very high	96.5	Very high	35 Å²	35	53.4 Å²	53.4	14%	0.137	31%	0.313	C	S	.	.			trans	-132.3	157.6	174.5	63.3	-96.7	0	0	0	112.2	L35 H40 V42 L55 V300	L35-Y52 HydrophobicContact CD1-CE1 3.64Å; H40-Y52 VanDerWaalsContact C-CD1 3.44Å; H40-Y52 HydrophobicContact CB-CD1 4.4Å; H40-Y52 HydrophobicContact CB-CD2 4.12Å; H40-Y52 HydrophobicContact CB-CE1 4.27Å; H40-Y52 HydrophobicContact CB-CE2 3.97Å; H40-Y52 HydrophobicContact CB-CG 4.34Å; H40-Y52 VanDerWaalsContact CB-O 3.32Å; H40-Y52 WeakPolarHBondContact CB-O 3.43Å; H40-Y52 AromaticContact CG-CE2 3.99Å; H40-Y52 AromaticContact ND1-CE2 3.76Å; H40-Y52 VanDerWaalsContact O-CD1 3.29Å; H40-Y52 WeakPolarHBondContact O-CD1 3.5Å; H40-Y52 PolarHBondContact O-N 3.22Å; V42-Y52 HydrophobicContact CG2-CD1 4.07Å; V42-Y52 HydrophobicContact CG2-CE1 4.17Å; Y52-L55 HydrophobicContact CD1-CB 4.22Å; Y52-L55 HydrophobicContact CD1-CD2 4.39Å; Y52-L55 HydrophobicContact CD2-CB 3.7Å; Y52-L55 HydrophobicContact CE1-CB 4.2Å; Y52-L55 HydrophobicContact CE1-CD2 3.89Å; Y52-L55 HydrophobicContact CE2-CB 3.69Å; Y52-L55 HydrophobicContact CG-CB 3.97Å; Y52-V300 HydrophobicContact CE2-CG2 4.34Å; Y52-V300 WeakPolarHBondContact OH-CG2 3.47Å
53	E	97	Very high	96.3	Very high	136 Å²	136	53.8 Å²	53.8	64%	0.636	32%	0.316	S	S	*	.	S	Bend	trans	-91.7	-53.7	165.2	-173.9	173.8	164.4	0	0	109.5	D299	E53-D299 WeakPolarHBondContact O-CB 3.28Å
54	K	98.1	Very high	96.1	Very high	35 Å²	35	57.7 Å²	57.7	15%	0.152	33%	0.332	C	S	.	.	S	Bend	trans	-122.2	146.5	168.6	-50.8	-65	-177.6	168	0	109.8	D299 Y301 M337 D340 I341	K54-D299 WeakPolarHBondContact CA-O 3.33Å; K54-D299 HydrophobicContact CD-CB 3.97Å; K54-D299 WeakPolarHBondContact CD-OD1 3.31Å; K54-D299 WeakPolarHBondContact CE-OD1 3.4Å; K54-D299 IonicContact NZ-OD1 2.95Å; K54-D299 PolarHBondContact NZ-OD1 3.33Å; K54-Y301 HydrophobicContact CB-CE2 4.48Å; K54-Y301 HydrophobicContact CD-CE2 4.37Å; K54-M337 HydrophobicContact CB-CE 3.6Å; K54-D340 WeakPolarHBondContact CE-OD2 3.31Å; K54-D340 IonicContact NZ-OD1 2.66Å; K54-D340 PolarHBondContact NZ-OD1 2.74Å; K54-D340 IonicContact NZ-OD2 3.24Å; K54-D340 PolarHBondContact NZ-OD2 2.89Å; K54-I341 HydrophobicContact CG-CD1 3.86Å; K54-I341 HydrophobicContact CG-CG1 3.89Å
55	L	98.4	Very high	96	Very high	32 Å²	32	59.8 Å²	59.8	17%	0.168	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.8	177.5	177	65.5	0	0	0	110.2	L35 V42 Y52 I57 D299 V300 Y301	L35-L55 HydrophobicContact CD1-CD2 3.45Å; L35-L55 VanDerWaalsContact CD1-CD2 3.45Å; L35-L55 HydrophobicContact CD2-CD2 3.74Å; L35-L55 HydrophobicContact CG-CD2 4.27Å; V42-L55 HydrophobicContact CG2-CD1 4.17Å; V42-L55 HydrophobicContact CG2-CD2 4.13Å; Y52-L55 HydrophobicContact CD1-CB 4.22Å; Y52-L55 HydrophobicContact CD1-CD2 4.39Å; Y52-L55 HydrophobicContact CD2-CB 3.7Å; Y52-L55 HydrophobicContact CE1-CB 4.2Å; Y52-L55 HydrophobicContact CE1-CD2 3.89Å; Y52-L55 HydrophobicContact CE2-CB 3.69Å; Y52-L55 HydrophobicContact CG-CB 3.97Å; L55-I57 HydrophobicContact CD2-CG1 4.36Å; L55-I57 HydrophobicContact CG-CG1 4.48Å; L55-D299 PolarHBondContact N-O 3.15Å; L55-V300 HydrophobicContact CB-CG2 4.39Å; L55-V300 HydrophobicContact CD2-CG1 4.24Å; L55-V300 HydrophobicContact CD2-CG2 4.34Å; L55-V300 HydrophobicContact CG-CG1 4.49Å; L55-Y301 PolarHBondContact O-N 2.76Å
56	C	98.6	Very high	95.9	Very high	39 Å²	39	59.3 Å²	59.3	26%	0.264	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.1	168	-169.8	0	0	0	0	110.8	Y301 M337	C56-Y301 CarbonylContact C-O 3.59Å; C56-Y301 WeakPolarHBondContact CA-O 3.47Å; C56-M337 HydrophobicContact CB-CE 4.24Å; C56-M337 HydrophobicContact CB-SD 3.74Å
57	I	98.6	Very high	95.8	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.1	179.9	-60.1	173.3	0	0	0	109	L35 L55 F273 F279 L287 V300 Y301 A302 A303 V306	L35-I57 HydrophobicContact CD2-CD1 4.04Å; L55-I57 HydrophobicContact CD2-CG1 4.36Å; L55-I57 HydrophobicContact CG-CG1 4.48Å; I57-F273 HydrophobicContact CD1-CB 4.23Å; I57-F273 HydrophobicContact CD1-CD1 3.84Å; I57-F273 HydrophobicContact CD1-CD2 4.22Å; I57-F273 HydrophobicContact CD1-CE1 4.27Å; I57-F273 HydrophobicContact CD1-CG 3.82Å; I57-F273 HydrophobicContact CG1-CD1 4.33Å; I57-F273 HydrophobicContact CG1-CE1 4.27Å; I57-F273 HydrophobicContact CG2-CD2 3.9Å; I57-F273 HydrophobicContact CG2-CE1 4.24Å; I57-F273 HydrophobicContact CG2-CE2 3.46Å; I57-F273 VanDerWaalsContact CG2-CE2 3.46Å; I57-F273 HydrophobicContact CG2-CG 4.48Å; I57-F273 HydrophobicContact CG2-CZ 3.66Å; I57-F279 HydrophobicContact CD1-CE1 4.32Å; I57-F279 HydrophobicContact CD1-CZ 4.1Å; I57-L287 HydrophobicContact CB-CD1 4.21Å; I57-L287 HydrophobicContact CD1-CD1 3.7Å; I57-L287 HydrophobicContact CG2-CD1 4.07Å; I57-V300 HydrophobicContact CD1-CG1 3.6Å; I57-V300 HydrophobicContact CG1-CG1 4.01Å; I57-Y301 PolarHBondContact N-O 2.91Å; I57-A302 HydrophobicContact CB-CB 4.12Å; I57-A302 VanDerWaalsContact O-CA 3.28Å; I57-A302 WeakPolarHBondContact O-CA 3.2Å; I57-A303 PolarHBondContact O-N 2.75Å; I57-V306 HydrophobicContact CG2-CG1 4.24Å; I57-V306 HydrophobicContact CG2-CG2 4.01Å; I57-V306 VanDerWaalsContact O-CG1 3.25Å; I57-V306 WeakPolarHBondContact O-CG1 3.3Å
58	C	97.5	Very high	95.4	Very high	85 Å²	85	62.4 Å²	62.4	57%	0.574	33%	0.333	S	S	*	.			trans	-122.7	31.1	179.7	-61.3	0	0	0	0	112.3	G60	C58-G60 PolarHBondContact O-N 3.38Å
59	S	95.8	Very high	94.8	Very high	45 Å²	45	66.4 Å²	66.4	32%	0.315	36%	0.356	S	S	.	.			trans	-68.5	-3.3	-174.7	59.9	0	0	0	0	115.1	N269 V306	S59-N269 WeakPolarHBondContact O-CB 3.32Å; S59-N269 PolarHBondContact O-ND2 3.27Å; S59-N269 PolarHBondContact OG-O 2.87Å; S59-V306 WeakPolarHBondContact OG-CG2 3.36Å
60	G	95.4	Very high	94.4	Very high	16 Å²	16	64.5 Å²	64.5	17%	0.165	34%	0.343	C	S	.	.			trans	60.9	-138.1	177.3	0	0	0	0	0	113.8	C58 N269 D305 V306	C58-G60 PolarHBondContact O-N 3.38Å; G60-N269 WeakPolarHBondContact O-CB 3.45Å; G60-N269 PolarHBondContact O-N 3.41Å; G60-D305 CarbonylContact O-C 3.56Å; G60-V306 WeakPolarHBondContact O-CA 3.3Å; G60-V306 WeakPolarHBondContact O-CB 3.28Å; G60-V306 PolarHBondContact O-N 2.94Å
61	A	94.5	Very high	94.2	Very high	7 Å²	7	65.7 Å²	65.7	6%	0.058	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	151	-174.6	0	0	0	0	0	110.9	R77 V266 V267 N269 D305	A61-R77 WeakPolarHBondContact O-CG 3.44Å; A61-R77 PolarHBondContact O-NE 2.94Å; A61-R77 PolarHBondContact O-NH2 2.83Å; A61-V266 HydrophobicContact CB-CB 3.8Å; A61-V266 HydrophobicContact CB-CG2 3.78Å; A61-V267 CarbonylContact C-O 3.54Å; A61-V267 VanDerWaalsContact CA-O 3.26Å; A61-V267 WeakPolarHBondContact CA-O 3.48Å; A61-V267 VanDerWaalsContact CB-O 3.31Å; A61-V267 WeakPolarHBondContact CB-O 3.25Å; A61-N269 PolarHBondContact N-ND2 2.73Å; A61-D305 HydrophobicContact CB-CB 3.86Å
62	R	93.1	Very high	94	Very high	113 Å²	113	64.9 Å²	64.9	43%	0.426	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	159.7	178.1	66.7	-166.4	171.3	-72	0.5	111.6	V266 V267 P268 N269	R62-V266 CarbonylContact O-C 3.58Å; R62-V266 WeakPolarHBondContact O-CA 3.21Å; R62-V266 WeakPolarHBondContact O-CB 3.44Å; R62-V267 HydrophobicContact CG-CB 4.33Å; R62-V267 PolarHBondContact N-O 3.01Å; R62-V267 PolarHBondContact NH1-O 3.3Å; R62-V267 PolarHBondContact O-N 3.05Å; R62-P268 PolarHBondContact NH1-O 3.03Å; R62-N269 WeakPolarHBondContact CB-OD1 3.3Å; R62-N269 WeakPolarHBondContact CD-OD1 3.24Å; R62-N269 WeakPolarHBondContact CG-OD1 3.41Å; R62-N269 PolarHBondContact N-OD1 2.78Å; R62-N269 PolarHBondContact NH1-OD1 3.32Å
63	P	93.4	Very high	94	Very high	28 Å²	28	63.8 Å²	63.8	18%	0.182	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	140	176.4	-17.5	25.4	0	0	0	112.6	L65 R77	P63-L65 HydrophobicContact CB-CD2 3.99Å; P63-L65 PolarHBondContact O-N 3.32Å; P63-R77 HydrophobicContact CG-CB 3.64Å; P63-R77 HydrophobicContact CG-CG 4.44Å
64	K	93.3	Very high	93.9	Very high	119 Å²	119	58.1 Å²	58.1	52%	0.517	31%	0.308	S	S	.	.			trans	-78.4	104.1	161.6	-167.3	177.5	-176.8	177.5	0	107.9	S262 T264 G265 V267	K64-S262 PolarHBondContact O-OG 3.14Å; K64-T264 PolarHBondContact O-OG1 3.23Å; K64-G265 WeakPolarHBondContact CB-O 3.32Å; K64-G265 PolarHBondContact N-O 2.84Å; K64-V267 HydrophobicContact CB-CG2 4.2Å; K64-V267 HydrophobicContact CG-CG2 4.27Å
65	L	93.8	Very high	93.8	Very high	49 Å²	49	56.8 Å²	56.8	26%	0.257	30%	0.304	S	S	.	.			trans	-81.7	139.8	176.9	-58.5	-178.7	0	0	0	110.8	P63 T67 S262	P63-L65 HydrophobicContact CB-CD2 3.99Å; P63-L65 PolarHBondContact O-N 3.32Å; L65-T67 VanDerWaalsContact C-N 3.32Å; L65-T67 WeakPolarHBondContact CB-O 3.46Å; L65-S262 WeakPolarHBondContact CA-OG 3.49Å
66	L	91.9	Very high	93.5	Very high	56 Å²	56	55.8 Å²	55.8	29%	0.293	30%	0.298	S	S	.	.	S	Bend	trans	-57.7	-44.7	172.6	-69.9	167.9	0	0	0	112.1	V98 V219 I222 V260 S262 T264	L66-V98 HydrophobicContact CD1-CB 3.9Å; L66-V98 HydrophobicContact CD1-CG1 4.01Å; L66-V98 HydrophobicContact CD1-CG2 3.86Å; L66-V98 HydrophobicContact CD2-CG1 4.07Å; L66-V219 HydrophobicContact CD1-CG2 4.09Å; L66-I222 HydrophobicContact CB-CD1 4.41Å; L66-I222 HydrophobicContact CD1-CD1 4.28Å; L66-V260 HydrophobicContact CD1-CG1 4.07Å; L66-S262 PolarHBondContact N-OG 3.13Å; L66-T264 HydrophobicContact CD2-CG2 3.87Å; L66-T264 HydrophobicContact CG-CG2 4.4Å
67	T	89.6	Confident	93.1	Very high	55 Å²	55	55.8 Å²	55.8	34%	0.337	29%	0.293	S	S	.	.	S	Bend	trans	-134.3	138	174.7	45	0	0	0	0	108.4	L65 N70	L65-T67 VanDerWaalsContact C-N 3.32Å; L65-T67 WeakPolarHBondContact CB-O 3.46Å; T67-N70 WeakPolarHBondContact OG1-CB 3.18Å
68	Q	85.5	Confident	92.6	Very high	138 Å²	138	57.2 Å²	57.2	65%	0.645	30%	0.301	S	S	*	.	S	Bend	trans	-77.5	151.7	174.3	-60.2	-60.3	-33.5	0	0	109.6	N70	Q68-N70 PolarHBondContact O-N 2.86Å
69	E	84.8	Confident	92	Very high	192 Å²	192	53.6 Å²	53.6	90%	0.897	28%	0.276	S	S	*	.	S	Bend	trans	58.5	9.2	173.2	-54.3	-175	162.6	0	0	116.4	P71	E69-P71 WeakPolarHBondContact O-CD 3.27Å
70	N	89.2	Confident	91.5	Very high	37 Å²	37	53.4 Å²	53.4	20%	0.198	27%	0.271	C	S	.	.			trans	-81.6	117	176.6	-172	-42.3	0	0	0	110.9	T67 Q68 H72 V73	T67-N70 WeakPolarHBondContact OG1-CB 3.18Å; Q68-N70 PolarHBondContact O-N 2.86Å; N70-H72 PolarHBondContact O-N 2.9Å; N70-H72 VanDerWaalsContact O-N 3.16Å; N70-H72 WeakPolarHBondContact OD1-CB 3.15Å; N70-H72 PolarHBondContact OD1-N 3.35Å; N70-V73 HydrophobicContact CB-CB 4.24Å; N70-V73 HydrophobicContact CB-CG2 3.94Å; N70-V73 PolarHBondContact O-N 2.89Å; N70-V73 VanDerWaalsContact O-N 3.09Å
71	P	92.9	Very high	91.3	Very high	92 Å²	92	53.3 Å²	53.3	60%	0.597	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.6	-175.7	28	-35.5	0	0	0	113.7	E69 R88	E69-P71 WeakPolarHBondContact O-CD 3.27Å; P71-R88 PolarHBondContact O-NH1 2.89Å
72	H	95.1	Very high	91.2	Very high	48 Å²	48	53 Å²	53	22%	0.222	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-2.4	177.2	-59.4	-78.1	0	0	0	113.6	N70 V245 F259 V260	N70-H72 PolarHBondContact O-N 2.9Å; N70-H72 VanDerWaalsContact O-N 3.16Å; N70-H72 WeakPolarHBondContact OD1-CB 3.15Å; N70-H72 PolarHBondContact OD1-N 3.35Å; H72-V245 HydrophobicContact CB-CB 3.91Å; H72-V245 HydrophobicContact CB-CG1 3.98Å; H72-V245 HydrophobicContact CB-CG2 4.05Å; H72-F259 WeakPolarHBondContact O-CB 3.37Å; H72-V260 PolarHBondContact O-N 3.04Å
73	V	96.6	Very high	91	Very high	12 Å²	12	52 Å²	52	7%	0.073	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.7	176.3	-178.3	0	0	0	0	109.4	N70 I222 V260	N70-V73 HydrophobicContact CB-CB 4.24Å; N70-V73 HydrophobicContact CB-CG2 3.94Å; N70-V73 PolarHBondContact O-N 2.89Å; N70-V73 VanDerWaalsContact O-N 3.09Å; V73-I222 HydrophobicContact CG2-CD1 3.72Å; V73-V260 WeakPolarHBondContact CA-O 3.38Å; V73-V260 HydrophobicContact CG2-CB 4.28Å
74	L	96.1	Very high	91	Very high	18 Å²	18	53.2 Å²	53.2	9%	0.094	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.6	177.5	-176.9	63.2	0	0	0	110.1	I76 E84 F85 V260 V261 S262	L74-I76 HydrophobicContact CG-CG1 4.45Å; L74-E84 HydrophobicContact CD1-CG 4.29Å; L74-E84 HydrophobicContact CD2-CG 4.47Å; L74-F85 HydrophobicContact CD2-CB 3.73Å; L74-F85 HydrophobicContact CD2-CD2 4.21Å; L74-F85 HydrophobicContact CD2-CG 4.49Å; L74-V260 PolarHBondContact N-O 2.84Å; L74-V261 CarbonylContact O-C 3.34Å; L74-V261 WeakPolarHBondContact O-CA 3.43Å; L74-S262 PolarHBondContact O-N 2.76Å
75	G	95.5	Very high	91.2	Very high	7 Å²	7	47.5 Å²	47.5	7%	0.072	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	148.6	162.1	0	0	0	0	0	109.8	S81	G75-S81 VanDerWaalsContact O-CB 3.3Å; G75-S81 WeakPolarHBondContact O-CB 3.39Å
76	I	92.8	Very high	91.2	Very high	10 Å²	10	48 Å²	48	5%	0.051	25%	0.245	C	C	.	.			trans	-120.9	125.6	176.2	-59.9	-179.2	0	0	0	108	L74 F85 I103 L107 L191 W195 V261	L74-I76 HydrophobicContact CG-CG1 4.45Å; I76-F85 HydrophobicContact CD1-CB 3.56Å; I76-F85 HydrophobicContact CD1-CD1 3.73Å; I76-F85 HydrophobicContact CD1-CD2 3.63Å; I76-F85 HydrophobicContact CD1-CE1 4.32Å; I76-F85 HydrophobicContact CD1-CE2 4.25Å; I76-F85 HydrophobicContact CD1-CG 3.34Å; I76-F85 HydrophobicContact CG1-CB 4.18Å; I76-F85 HydrophobicContact CG1-CG 4.42Å; I76-I103 HydrophobicContact CB-CG2 4.16Å; I76-I103 HydrophobicContact CG2-CG2 4.42Å; I76-L107 HydrophobicContact CD1-CD1 3.98Å; I76-L107 HydrophobicContact CD1-CD2 4Å; I76-L191 HydrophobicContact CG2-CD1 3.49Å; I76-L191 VanDerWaalsContact CG2-CD1 3.49Å; I76-W195 HydrophobicContact CG2-CH2 4.12Å; I76-W195 HydrophobicContact CG2-CZ2 4.42Å; I76-W195 HydrophobicContact CG2-CZ3 4.32Å; I76-V261 HydrophobicContact CD1-CG1 4.04Å; I76-V261 HydrophobicContact CG1-CG1 4.24Å
77	R	90.5	Very high	91.4	Very high	40 Å²	40	51.4 Å²	51.4	15%	0.151	26%	0.257	C	S	.	.			trans	-159.3	-32.8	-172.6	175.1	57.9	179.3	178.3	6.1	114.3	A61 P63 S81 A190 L191 D305	A61-R77 WeakPolarHBondContact O-CG 3.44Å; A61-R77 PolarHBondContact O-NE 2.94Å; A61-R77 PolarHBondContact O-NH2 2.83Å; P63-R77 HydrophobicContact CG-CB 3.64Å; P63-R77 HydrophobicContact CG-CG 4.44Å; R77-S81 PolarHBondContact N-OG 3.13Å; R77-S81 VanDerWaalsContact N-OG 3.11Å; R77-A190 WeakPolarHBondContact O-CA 3.47Å; R77-L191 WeakPolarHBondContact O-CG 3.2Å; R77-L191 PolarHBondContact O-N 2.71Å; R77-D305 IonicContact CZ-OD2 3.16Å; R77-D305 VanDerWaalsContact CZ-OD2 3.24Å; R77-D305 IonicContact NH1-OD2 2.7Å; R77-D305 PolarHBondContact NH1-OD2 2.98Å; R77-D305 IonicContact NH2-OD2 3.37Å; R77-D305 PolarHBondContact NH2-OD2 3Å
78	D	87.6	Confident	91.7	Very high	35 Å²	35	52.2 Å²	52.2	19%	0.187	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-124.1	176	179.3	50.9	54.1	0	0	0	109.6	D80 S81 A82 G188 S189 L191	D78-D80 PolarHBondContact O-N 3.08Å; D78-D80 PolarHBondContact OD1-N 3.18Å; D78-S81 VanDerWaalsContact CG-OG 3.29Å; D78-S81 PolarHBondContact N-OG 3.28Å; D78-S81 VanDerWaalsContact N-OG 3.09Å; D78-S81 PolarHBondContact O-OG 3.14Å; D78-S81 VanDerWaalsContact OD1-CB 3.28Å; D78-S81 WeakPolarHBondContact OD1-CB 3.44Å; D78-S81 PolarHBondContact OD1-N 3.02Å; D78-S81 PolarHBondContact OD1-OG 3.27Å; D78-A82 PolarHBondContact O-N 2.73Å; D78-A82 VanDerWaalsContact O-N 3.12Å; D78-G188 WeakPolarHBondContact CB-O 2.99Å; D78-S189 VanDerWaalsContact CA-O 3.31Å; D78-S189 WeakPolarHBondContact CA-O 3.19Å; D78-L191 WeakPolarHBondContact O-CD2 3.34Å
79	T	84	Confident	92.2	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.055	22%	0.223	C	C	.	.	H	α-helix	trans	-68.2	-22.1	-173.3	53.8	0	0	0	0	114	Q83 R157 S189 L191	T79-Q83 WeakPolarHBondContact O-CG 3.39Å; T79-Q83 PolarHBondContact O-N 3.04Å; T79-R157 VanDerWaalsContact CB-CZ 3.45Å; T79-R157 VanDerWaalsContact CB-NH2 3.32Å; T79-R157 HydrophobicContact CG2-CG 4.08Å; T79-R157 PolarHBondContact OG1-NE 3.22Å; T79-R157 PolarHBondContact OG1-NH2 2.98Å; T79-S189 WeakPolarHBondContact CG2-O 3.02Å; T79-S189 PolarHBondContact N-O 3.27Å; T79-S189 VanDerWaalsContact N-O 3.08Å; T79-L191 HydrophobicContact CG2-CD2 3.99Å
80	D	86.3	Confident	92.8	Very high	40 Å²	40	39.2 Å²	39.2	21%	0.214	20%	0.2	C	C	.	.	H	α-helix	trans	-96.6	-33.7	-169.4	-42.7	-21.1	0	0	0	109.1	D78 A82 Q83 E84 R157 E186 G188	D78-D80 PolarHBondContact O-N 3.08Å; D78-D80 PolarHBondContact OD1-N 3.18Å; D80-A82 VanDerWaalsContact C-N 3.26Å; D80-A82 PolarHBondContact O-N 3.07Å; D80-Q83 PolarHBondContact O-N 3.07Å; D80-E84 WeakPolarHBondContact O-CB 3.45Å; D80-E84 PolarHBondContact O-N 3.19Å; D80-R157 IonicContact OD1-NH2 2.91Å; D80-R157 PolarHBondContact OD1-NH2 3.27Å; D80-E186 VanDerWaalsContact OD2-O 3.1Å; D80-G188 VanDerWaalsContact OD2-CA 3.26Å; D80-G188 WeakPolarHBondContact OD2-CA 3.37Å; D80-G188 PolarHBondContact OD2-N 2.83Å
81	S	91.8	Very high	93	Very high	14 Å²	14	45.2 Å²	45.2	10%	0.098	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-32.6	160.2	53.6	0	0	0	0	112.5	G75 R77 D78 F85	G75-S81 VanDerWaalsContact O-CB 3.3Å; G75-S81 WeakPolarHBondContact O-CB 3.39Å; R77-S81 PolarHBondContact N-OG 3.13Å; R77-S81 VanDerWaalsContact N-OG 3.11Å; D78-S81 VanDerWaalsContact CG-OG 3.29Å; D78-S81 PolarHBondContact N-OG 3.28Å; D78-S81 VanDerWaalsContact N-OG 3.09Å; D78-S81 PolarHBondContact O-OG 3.14Å; D78-S81 VanDerWaalsContact OD1-CB 3.28Å; D78-S81 WeakPolarHBondContact OD1-CB 3.44Å; D78-S81 PolarHBondContact OD1-N 3.02Å; D78-S81 PolarHBondContact OD1-OG 3.27Å; S81-F85 VanDerWaalsContact O-CB 3.3Å; S81-F85 WeakPolarHBondContact O-CB 3.44Å; S81-F85 PolarHBondContact O-N 3.32Å
82	A	91.3	Very high	93.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-70.4	-39.6	171.6	0	0	0	0	0	113.2	D78 D80 F85 Q86 L191 W195 I199	D78-A82 PolarHBondContact O-N 2.73Å; D78-A82 VanDerWaalsContact O-N 3.12Å; D80-A82 VanDerWaalsContact C-N 3.26Å; D80-A82 PolarHBondContact O-N 3.07Å; A82-F85 WeakPolarHBondContact O-CB 3.29Å; A82-F85 PolarHBondContact O-N 3.11Å; A82-Q86 PolarHBondContact O-N 2.88Å; A82-L191 HydrophobicContact CB-CD1 4.28Å; A82-L191 HydrophobicContact CB-CD2 4.03Å; A82-W195 HydrophobicContact CB-CE3 3.95Å; A82-W195 HydrophobicContact CB-CZ3 3.86Å; A82-I199 HydrophobicContact CB-CD1 3.8Å
83	Q	89.9	Confident	93.2	Very high	94 Å²	94	44.9 Å²	44.9	44%	0.439	21%	0.213	S	C	.	.	H	α-helix	trans	-66.7	-42.7	173	-74.4	175.1	-10.1	0	0	112.3	T79 D80 F85 Q86 K87	T79-Q83 WeakPolarHBondContact O-CG 3.39Å; T79-Q83 PolarHBondContact O-N 3.04Å; D80-Q83 PolarHBondContact O-N 3.07Å; Q83-F85 VanDerWaalsContact C-N 3.3Å; Q83-F85 PolarHBondContact O-N 2.78Å; Q83-Q86 WeakPolarHBondContact O-CB 3.29Å; Q83-Q86 PolarHBondContact O-N 3.48Å; Q83-K87 VanDerWaalsContact O-CB 3.32Å; Q83-K87 WeakPolarHBondContact O-CB 3.44Å; Q83-K87 PolarHBondContact O-N 2.85Å
84	E	93.5	Very high	93.1	Very high	52 Å²	52	45.2 Å²	45.2	24%	0.243	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-35.5	174.6	178.4	63.9	-174.5	0	0	111	L74 D80 K87 R88	L74-E84 HydrophobicContact CD1-CG 4.29Å; L74-E84 HydrophobicContact CD2-CG 4.47Å; D80-E84 WeakPolarHBondContact O-CB 3.45Å; D80-E84 PolarHBondContact O-N 3.19Å; E84-K87 PolarHBondContact O-N 2.84Å; E84-K87 WeakPolarHBondContact OE2-CD 3.5Å; E84-K87 WeakPolarHBondContact OE2-CE 3.36Å; E84-K87 IonicContact OE2-NZ 3.83Å; E84-K87 PolarHBondContact OE2-NZ 2.81Å; E84-R88 WeakPolarHBondContact O-CG 3.46Å; E84-R88 PolarHBondContact O-N 3.43Å; E84-R88 IonicContact OE1-CZ 2.71Å; E84-R88 VanDerWaalsContact OE1-CZ 3.27Å; E84-R88 IonicContact OE1-NE 3.07Å; E84-R88 PolarHBondContact OE1-NE 2.88Å; E84-R88 IonicContact OE1-NH2 2.69Å; E84-R88 PolarHBondContact OE1-NH2 2.93Å
85	F	95.8	Very high	93.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-52	170.2	177	-114.6	0	0	0	111.8	L74 I76 S81 A82 Q83 K87 R88 L89 I95 L107 V111 L201 F259 V261	L74-F85 HydrophobicContact CD2-CB 3.73Å; L74-F85 HydrophobicContact CD2-CD2 4.21Å; L74-F85 HydrophobicContact CD2-CG 4.49Å; I76-F85 HydrophobicContact CD1-CB 3.56Å; I76-F85 HydrophobicContact CD1-CD1 3.73Å; I76-F85 HydrophobicContact CD1-CD2 3.63Å; I76-F85 HydrophobicContact CD1-CE1 4.32Å; I76-F85 HydrophobicContact CD1-CE2 4.25Å; I76-F85 HydrophobicContact CD1-CG 3.34Å; I76-F85 HydrophobicContact CG1-CB 4.18Å; I76-F85 HydrophobicContact CG1-CG 4.42Å; S81-F85 VanDerWaalsContact O-CB 3.3Å; S81-F85 WeakPolarHBondContact O-CB 3.44Å; S81-F85 PolarHBondContact O-N 3.32Å; A82-F85 WeakPolarHBondContact O-CB 3.29Å; A82-F85 PolarHBondContact O-N 3.11Å; Q83-F85 VanDerWaalsContact C-N 3.3Å; Q83-F85 PolarHBondContact O-N 2.78Å; F85-K87 VanDerWaalsContact C-N 3.3Å; F85-K87 PolarHBondContact O-N 3.03Å; F85-R88 PolarHBondContact O-N 3.44Å; F85-L89 HydrophobicContact CE1-CD2 3.94Å; F85-L89 HydrophobicContact CZ-CB 4.46Å; F85-L89 HydrophobicContact CZ-CD1 4.23Å; F85-L89 HydrophobicContact CZ-CD2 3.96Å; F85-L89 HydrophobicContact CZ-CG 4.46Å; F85-L89 WeakPolarHBondContact O-CB 3.41Å; F85-L89 PolarHBondContact O-N 3.02Å; F85-I95 HydrophobicContact CE2-CD1 4.16Å; F85-I95 HydrophobicContact CZ-CD1 4.14Å; F85-L107 HydrophobicContact CD1-CD2 3.96Å; F85-L107 HydrophobicContact CE1-CD2 3.27Å; F85-L107 HydrophobicContact CE2-CD2 4.4Å; F85-L107 HydrophobicContact CZ-CD2 3.55Å; F85-V111 HydrophobicContact CE1-CG2 4.25Å; F85-V111 HydrophobicContact CZ-CG2 3.92Å; F85-L201 HydrophobicContact CD1-CD2 3.78Å; F85-L201 HydrophobicContact CE1-CD1 4.46Å; F85-L201 HydrophobicContact CE1-CD2 3.72Å; F85-F259 AromaticContact CD2-CE2 3.64Å; F85-F259 HydrophobicContact CD2-CE2 3.64Å; F85-F259 AromaticContact CD2-CZ 3.7Å; F85-F259 HydrophobicContact CD2-CZ 3.7Å; F85-F259 AromaticContact CE2-CE2 3.7Å; F85-F259 HydrophobicContact CE2-CE2 3.7Å; F85-F259 AromaticContact CE2-CZ 3.61Å; F85-F259 HydrophobicContact CE2-CZ 3.61Å; F85-V261 HydrophobicContact CD2-CG2 4.13Å; F85-V261 HydrophobicContact CE2-CG2 3.71Å
86	Q	94.9	Very high	93.3	Very high	58 Å²	58	44 Å²	44	27%	0.271	21%	0.205	S	C	.	.	H	α-helix	trans	-53	-49	176.3	-176.7	-172.5	4.3	0	0	111.5	A82 Q83 R88 L89 S90 I199	A82-Q86 PolarHBondContact O-N 2.88Å; Q83-Q86 WeakPolarHBondContact O-CB 3.29Å; Q83-Q86 PolarHBondContact O-N 3.48Å; Q86-R88 PolarHBondContact O-N 2.88Å; Q86-L89 PolarHBondContact O-N 2.88Å; Q86-S90 PolarHBondContact O-N 2.89Å; Q86-I199 HydrophobicContact CB-CG2 3.65Å; Q86-I199 HydrophobicContact CG-CG2 3.77Å
87	K	95.3	Very high	93.6	Very high	129 Å²	129	43.6 Å²	43.6	56%	0.561	20%	0.203	S	C	*	.	H	α-helix	trans	-62	-41.9	-179.4	173.8	177.7	153.7	-144.4	0	112.7	Q83 E84 F85 S90	Q83-K87 VanDerWaalsContact O-CB 3.32Å; Q83-K87 WeakPolarHBondContact O-CB 3.44Å; Q83-K87 PolarHBondContact O-N 2.85Å; E84-K87 PolarHBondContact O-N 2.84Å; E84-K87 WeakPolarHBondContact OE2-CD 3.5Å; E84-K87 WeakPolarHBondContact OE2-CE 3.36Å; E84-K87 IonicContact OE2-NZ 3.83Å; E84-K87 PolarHBondContact OE2-NZ 2.81Å; F85-K87 VanDerWaalsContact C-N 3.3Å; F85-K87 PolarHBondContact O-N 3.03Å; K87-S90 PolarHBondContact O-OG 3.15Å
88	R	96.4	Very high	94	Very high	71 Å²	71	42.1 Å²	42.1	27%	0.268	20%	0.198	S	C	.	.	H	α-helix	trans	-69.7	-45.7	173.8	-70.3	179.2	-171	-148.8	-2.9	111.8	P71 E84 F85 Q86 S90 K91 A92 F259	P71-R88 PolarHBondContact O-NH1 2.89Å; E84-R88 WeakPolarHBondContact O-CG 3.46Å; E84-R88 PolarHBondContact O-N 3.43Å; E84-R88 IonicContact OE1-CZ 2.71Å; E84-R88 VanDerWaalsContact OE1-CZ 3.27Å; E84-R88 IonicContact OE1-NE 3.07Å; E84-R88 PolarHBondContact OE1-NE 2.88Å; E84-R88 IonicContact OE1-NH2 2.69Å; E84-R88 PolarHBondContact OE1-NH2 2.93Å; F85-R88 PolarHBondContact O-N 3.44Å; Q86-R88 PolarHBondContact O-N 2.88Å; R88-S90 VanDerWaalsContact C-N 3.3Å; R88-S90 PolarHBondContact O-N 3.12Å; R88-K91 PolarHBondContact O-N 3.46Å; R88-A92 PolarHBondContact O-N 2.81Å; R88-F259 HydrophobicContact CB-CD1 3.96Å; R88-F259 HydrophobicContact CB-CE1 3.51Å; R88-F259 HydrophobicContact CB-CE2 4.42Å; R88-F259 HydrophobicContact CB-CZ 3.76Å
89	L	96.8	Very high	94.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57	-43.4	-178.8	-174.3	68.3	0	0	0	111	F85 Q86 K91 A92 I95 V111 C114 L201 Q202 G203	F85-L89 HydrophobicContact CE1-CD2 3.94Å; F85-L89 HydrophobicContact CZ-CB 4.46Å; F85-L89 HydrophobicContact CZ-CD1 4.23Å; F85-L89 HydrophobicContact CZ-CD2 3.96Å; F85-L89 HydrophobicContact CZ-CG 4.46Å; F85-L89 WeakPolarHBondContact O-CB 3.41Å; F85-L89 PolarHBondContact O-N 3.02Å; Q86-L89 PolarHBondContact O-N 2.88Å; L89-K91 PolarHBondContact O-N 2.91Å; L89-A92 WeakPolarHBondContact O-CB 3.34Å; L89-A92 PolarHBondContact O-N 3.07Å; L89-I95 HydrophobicContact CD1-CD1 4.29Å; L89-I95 HydrophobicContact CD1-CG2 4.28Å; L89-V111 HydrophobicContact CD1-CG1 4.07Å; L89-V111 HydrophobicContact CD1-CG2 4.45Å; L89-V111 HydrophobicContact CD2-CG1 4.34Å; L89-V111 HydrophobicContact CD2-CG2 3.99Å; L89-C114 HydrophobicContact CD1-CB 4.22Å; L89-L201 VanDerWaalsContact CD2-C 3.49Å; L89-L201 HydrophobicContact CD2-CB 4.12Å; L89-L201 HydrophobicContact CD2-CD2 4.39Å; L89-Q202 CarbonylContact C-O 3.52Å; L89-G203 VanDerWaalsContact O-CA 3.27Å; L89-G203 WeakPolarHBondContact O-CA 3.25Å
90	S	95.8	Very high	94.9	Very high	58 Å²	58	41.2 Å²	41.2	41%	0.406	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-21.8	-179.9	72.6	0	0	0	0	115.8	Q86 K87 R88 Q202	Q86-S90 PolarHBondContact O-N 2.89Å; K87-S90 PolarHBondContact O-OG 3.15Å; R88-S90 VanDerWaalsContact C-N 3.3Å; R88-S90 PolarHBondContact O-N 3.12Å; S90-Q202 WeakPolarHBondContact CA-O 3.46Å; S90-Q202 PolarHBondContact N-O 3.41Å
91	K	94.8	Very high	95.3	Very high	163 Å²	163	40.1 Å²	40.1	71%	0.709	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-13.3	179.1	-62.6	171.3	-171.7	175.8	0	113.2	R88 L89	R88-K91 PolarHBondContact O-N 3.46Å; L89-K91 PolarHBondContact O-N 2.91Å
92	A	96.1	Very high	95.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	20%	0.198	C	C	.	.			trans	-78.5	137.5	-176.3	0	0	0	0	0	111.9	R88 L89 I95 A204 D258 F259	R88-A92 PolarHBondContact O-N 2.81Å; L89-A92 WeakPolarHBondContact O-CB 3.34Å; L89-A92 PolarHBondContact O-N 3.07Å; A92-I95 HydrophobicContact CB-CG2 4.12Å; A92-A204 PolarHBondContact O-N 3.34Å; A92-D258 VanDerWaalsContact CA-OD2 3.26Å; A92-D258 WeakPolarHBondContact CA-OD2 3.1Å; A92-D258 HydrophobicContact CB-CB 3.76Å; A92-F259 HydrophobicContact CB-CD1 4.36Å; A92-F259 HydrophobicContact CB-CE1 3.87Å
93	K	94.9	Very high	95.4	Very high	132 Å²	132	42.3 Å²	42.3	57%	0.574	21%	0.208	S	C	*	.	S	Bend	trans	-95.1	-29.4	168.6	-61.6	174.2	-174.4	173.4	0	110.9	C114 E115 A204 A207 W243 D258	K93-C114 PolarHBondContact O-SG 3.18Å; K93-E115 PolarHBondContact O-N 2.73Å; K93-A204 HydrophobicContact CG-CB 4.23Å; K93-A207 HydrophobicContact CB-CB 4.43Å; K93-W243 HydrophobicContact CB-CH2 4.25Å; K93-W243 HydrophobicContact CB-CZ3 4.34Å; K93-D258 PolarHBondContact N-OD2 3.2Å
94	R	95.8	Very high	95.6	Very high	19 Å²	19	37.9 Å²	37.9	7%	0.072	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	137.8	179.2	-177.7	-168.9	-81.1	165.8	3	112.5	E115 I117 D239 W243 G256 C257 D258	R94-E115 CarbonylContact C-O 3.53Å; R94-E115 WeakPolarHBondContact CA-O 3.34Å; R94-E115 HydrophobicContact CB-CB 4.15Å; R94-E115 HydrophobicContact CG-CB 4.07Å; R94-E115 HydrophobicContact CG-CG 4.26Å; R94-E115 IonicContact CZ-OE2 3.9Å; R94-E115 IonicContact NE-OE2 2.76Å; R94-E115 PolarHBondContact NE-OE2 2.79Å; R94-E115 IonicContact NH2-OE2 3.88Å; R94-E115 PolarHBondContact NH2-OE2 2.8Å; R94-I117 HydrophobicContact CG-CD1 3.94Å; R94-D239 IonicContact CZ-OD2 2.67Å; R94-D239 IonicContact NH1-OD1 3.61Å; R94-D239 IonicContact NH1-OD2 2.93Å; R94-D239 PolarHBondContact NH1-OD2 2.84Å; R94-D239 IonicContact NH2-OD1 3.97Å; R94-D239 PolarHBondContact NH2-OD1 2.83Å; R94-D239 IonicContact NH2-OD2 3.24Å; R94-D239 PolarHBondContact NH2-OD2 2.8Å; R94-W243 HydrophobicContact CB-CH2 3.52Å; R94-W243 HydrophobicContact CB-CZ2 4.36Å; R94-W243 HydrophobicContact CB-CZ3 3.74Å; R94-W243 HydrophobicContact CG-CH2 4.49Å; R94-G256 WeakPolarHBondContact CD-O 3.41Å; R94-G256 PolarHBondContact NH1-O 3.03Å; R94-C257 HydrophobicContact CB-CB 4.47Å; R94-C257 HydrophobicContact CG-CB 4.07Å; R94-D258 PolarHBondContact N-OD2 3.5Å; R94-D258 WeakPolarHBondContact O-CB 3.4Å; R94-D258 PolarHBondContact O-N 2.78Å
95	I	97.8	Very high	95.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.6	170.6	62.2	172.6	0	0	0	111	F85 L89 A92 V97 V111 E115 V116 I117 F259	F85-I95 HydrophobicContact CE2-CD1 4.16Å; F85-I95 HydrophobicContact CZ-CD1 4.14Å; L89-I95 HydrophobicContact CD1-CD1 4.29Å; L89-I95 HydrophobicContact CD1-CG2 4.28Å; A92-I95 HydrophobicContact CB-CG2 4.12Å; I95-V97 HydrophobicContact CD1-CG2 3.88Å; I95-V97 HydrophobicContact CG1-CG2 4.3Å; I95-V111 HydrophobicContact CD1-CG2 4.35Å; I95-E115 PolarHBondContact N-O 2.85Å; I95-V116 HydrophobicContact CD1-CG1 4.46Å; I95-V116 HydrophobicContact CD1-CG2 4.23Å; I95-V116 HydrophobicContact CG1-CB 4.44Å; I95-V116 HydrophobicContact CG1-CG1 4.26Å; I95-V116 HydrophobicContact CG1-CG2 4.04Å; I95-I117 PolarHBondContact O-N 3.26Å; I95-F259 HydrophobicContact CG2-CD1 3.93Å; I95-F259 HydrophobicContact CG2-CD2 4.47Å; I95-F259 HydrophobicContact CG2-CE1 3.48Å; I95-F259 VanDerWaalsContact CG2-CE1 3.48Å; I95-F259 HydrophobicContact CG2-CE2 4.09Å; I95-F259 HydrophobicContact CG2-CG 4.4Å; I95-F259 HydrophobicContact CG2-CZ 3.59Å
96	V	98.3	Very high	95.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.6	165.8	175.7	0	0	0	0	108.3	V98 I117 V247 F255 C257 F259 V260 V261	V96-V98 HydrophobicContact CG1-CG2 3.8Å; V96-I117 CarbonylContact C-O 3.52Å; V96-I117 WeakPolarHBondContact CA-O 3.42Å; V96-I117 HydrophobicContact CG2-CB 4.2Å; V96-I117 HydrophobicContact CG2-CD1 4.24Å; V96-V247 HydrophobicContact CB-CG2 4.29Å; V96-V247 HydrophobicContact CG1-CG1 4.44Å; V96-V247 HydrophobicContact CG1-CG2 4.4Å; V96-V247 HydrophobicContact CG2-CB 4.47Å; V96-V247 HydrophobicContact CG2-CG2 4.15Å; V96-F255 HydrophobicContact CG2-CB 4.24Å; V96-C257 HydrophobicContact CG2-CB 3.92Å; V96-C257 VanDerWaalsContact CG2-SG 3.57Å; V96-F259 PolarHBondContact N-O 3.25Å; V96-V260 HydrophobicContact CB-CG1 4.43Å; V96-V260 HydrophobicContact CG1-CG1 4.44Å; V96-V260 CarbonylContact O-C 2.85Å; V96-V260 WeakPolarHBondContact O-CA 3.1Å; V96-V261 PolarHBondContact O-N 2.74Å
97	V	98.4	Very high	95.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.6	174	178.7	0	0	0	0	108.2	I95 A104 V108 V116 I117 W118 A119 V261	I95-V97 HydrophobicContact CD1-CG2 3.88Å; I95-V97 HydrophobicContact CG1-CG2 4.3Å; V97-A104 HydrophobicContact CG1-CB 4.05Å; V97-V108 HydrophobicContact CB-CG1 4.15Å; V97-V108 HydrophobicContact CG1-CG1 4.08Å; V97-V108 HydrophobicContact CG2-CG1 4.24Å; V97-V116 HydrophobicContact CB-CG1 4.48Å; V97-V116 HydrophobicContact CG2-CG1 3.81Å; V97-I117 PolarHBondContact N-O 3.37Å; V97-W118 CarbonylContact O-C 3.58Å; V97-W118 WeakPolarHBondContact O-CA 3.27Å; V97-A119 PolarHBondContact O-N 2.85Å; V97-V261 HydrophobicContact CG2-CB 4.27Å; V97-V261 HydrophobicContact CG2-CG2 4.43Å
98	V	98.1	Very high	95.4	Very high	10 Å²	10	27.3 Å²	27.3	6%	0.061	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.8	-175.2	-172.2	0	0	0	0	110.5	L66 V96 A119 V219 V260 V261 A263 T264	L66-V98 HydrophobicContact CD1-CB 3.9Å; L66-V98 HydrophobicContact CD1-CG1 4.01Å; L66-V98 HydrophobicContact CD1-CG2 3.86Å; L66-V98 HydrophobicContact CD2-CG1 4.07Å; V96-V98 HydrophobicContact CG1-CG2 3.8Å; V98-A119 HydrophobicContact CG2-CB 4.4Å; V98-V219 HydrophobicContact CB-CG2 4.46Å; V98-V219 HydrophobicContact CG1-CG2 3.85Å; V98-V219 HydrophobicContact CG2-CG2 3.76Å; V98-V260 HydrophobicContact CG2-CG1 3.8Å; V98-V261 PolarHBondContact N-O 2.91Å; V98-A263 CarbonylContact O-C 3.57Å; V98-A263 WeakPolarHBondContact O-CA 3.37Å; V98-A263 PolarHBondContact O-N 2.98Å; V98-T264 HydrophobicContact CG1-CG2 4.06Å; V98-T264 WeakPolarHBondContact O-CG2 3.39Å
99	G	96.4	Very high	95.3	Very high	13 Å²	13	25.4 Å²	25.4	13%	0.134	13%	0.133	C	C	.	.			trans	116.3	162.7	-178.3	0	0	0	0	0	112.8	A104 W118 A119	G99-A104 WeakPolarHBondContact O-CB 3Å; G99-W118 PolarHBondContact O-NE1 3.1Å; G99-A119 PolarHBondContact N-O 2.82Å; G99-A119 VanDerWaalsContact N-O 3.1Å
100	N	95.3	Very high	95	Very high	12 Å²	12	27.2 Å²	27.2	6%	0.064	14%	0.142	C	C	.	.			trans	-125.6	19.8	-163.1	-153.2	17.1	0	0	0	113.5	V120 D122 A124 I125 G126	N100-V120 HydrophobicContact CB-CB 4.35Å; N100-V120 HydrophobicContact CB-CG1 4.06Å; N100-D122 WeakPolarHBondContact ND2-CB 3.23Å; N100-D122 PolarHBondContact ND2-OD2 2.88Å; N100-A124 PolarHBondContact ND2-O 2.84Å; N100-I125 WeakPolarHBondContact OD1-CA 3.47Å; N100-G126 PolarHBondContact OD1-N 2.85Å
101	G	93.6	Very high	94.9	Very high	17 Å²	17	24.5 Å²	24.5	18%	0.175	12%	0.123	C	C	.	.	S	Bend	trans	-97	-173.4	-178.1	0	0	0	0	0	114.2	I103 A104 L105	G101-I103 PolarHBondContact O-N 3.17Å; G101-A104 WeakPolarHBondContact O-CA 3.18Å; G101-A104 WeakPolarHBondContact O-CB 3.47Å; G101-A104 PolarHBondContact O-N 2.86Å; G101-L105 WeakPolarHBondContact O-CG 3.41Å; G101-L105 PolarHBondContact O-N 2.91Å
102	G	92.7	Very high	94.7	Very high	16 Å²	16	20.4 Å²	20.4	17%	0.165	10%	0.103	C	C	.	.	H	α-helix	trans	-56.6	-50	-170.8	0	0	0	0	0	113.7	A104 L105 E106	G102-A104 PolarHBondContact O-N 3.04Å; G102-L105 WeakPolarHBondContact O-CB 3.39Å; G102-L105 PolarHBondContact O-N 2.88Å; G102-L105 VanDerWaalsContact O-N 3.1Å; G102-E106 WeakPolarHBondContact O-CG 3.23Å; G102-E106 PolarHBondContact O-N 3.16Å
103	I	92.7	Very high	94.6	Very high	44 Å²	44	25.6 Å²	25.6	23%	0.226	12%	0.122	C	C	.	.	H	α-helix	trans	-54.6	-40	174.8	-61.9	-62.6	0	0	0	111.7	I76 G101 L107 L191 A263	I76-I103 HydrophobicContact CB-CG2 4.16Å; I76-I103 HydrophobicContact CG2-CG2 4.42Å; G101-I103 PolarHBondContact O-N 3.17Å; I103-L107 HydrophobicContact CG2-CD1 3.71Å; I103-L107 HydrophobicContact CG2-CG 4.28Å; I103-L107 VanDerWaalsContact O-CB 3.24Å; I103-L107 WeakPolarHBondContact O-CB 3.45Å; I103-L107 WeakPolarHBondContact O-CD1 3.34Å; I103-L107 WeakPolarHBondContact O-CG 3.41Å; I103-L107 PolarHBondContact O-N 3.16Å; I103-L191 HydrophobicContact CD1-CD1 4.45Å; I103-A263 HydrophobicContact CB-CB 4.49Å; I103-A263 HydrophobicContact CG2-CB 4.29Å
104	A	95.5	Very high	94.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-68	-47.9	177.3	0	0	0	0	0	111.4	V97 G99 G101 G102 E106 L107 V108 W118 A263	V97-A104 HydrophobicContact CG1-CB 4.05Å; G99-A104 WeakPolarHBondContact O-CB 3Å; G101-A104 WeakPolarHBondContact O-CA 3.18Å; G101-A104 WeakPolarHBondContact O-CB 3.47Å; G101-A104 PolarHBondContact O-N 2.86Å; G102-A104 PolarHBondContact O-N 3.04Å; A104-E106 VanDerWaalsContact C-N 3.32Å; A104-E106 PolarHBondContact O-N 3.12Å; A104-L107 PolarHBondContact O-N 3.37Å; A104-V108 WeakPolarHBondContact O-CG1 3.34Å; A104-V108 WeakPolarHBondContact O-CG2 3.29Å; A104-V108 PolarHBondContact O-N 3.2Å; A104-W118 HydrophobicContact CB-CZ2 4.32Å; A104-A263 HydrophobicContact CB-CB 3.92Å
105	L	94.6	Very high	94.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-55.7	-45.3	178	-68.1	163.2	0	0	0	112	G101 G102 Y109 W118 F129 F130 F361 F362	G101-L105 WeakPolarHBondContact O-CG 3.41Å; G101-L105 PolarHBondContact O-N 2.91Å; G102-L105 WeakPolarHBondContact O-CB 3.39Å; G102-L105 PolarHBondContact O-N 2.88Å; G102-L105 VanDerWaalsContact O-N 3.1Å; L105-Y109 WeakPolarHBondContact O-CB 3.21Å; L105-Y109 PolarHBondContact O-N 3.46Å; L105-W118 HydrophobicContact CD2-CH2 3.65Å; L105-W118 HydrophobicContact CD2-CZ2 4.13Å; L105-W118 HydrophobicContact CG-CH2 4.48Å; L105-F129 HydrophobicContact CD1-CD2 3.78Å; L105-F129 HydrophobicContact CD1-CE2 4.28Å; L105-F130 HydrophobicContact CD1-CE2 4.35Å; L105-F361 HydrophobicContact CB-CD1 3.83Å; L105-F361 HydrophobicContact CB-CE1 4.03Å; L105-F361 HydrophobicContact CB-CG 4.31Å; L105-F361 HydrophobicContact CD1-CD1 4.3Å; L105-F361 HydrophobicContact CD1-CD2 4.09Å; L105-F361 HydrophobicContact CD1-CE1 4.11Å; L105-F361 HydrophobicContact CD1-CE2 3.85Å; L105-F361 HydrophobicContact CD1-CG 4.31Å; L105-F361 HydrophobicContact CD1-CZ 3.87Å; L105-F362 HydrophobicContact CD2-CE2 3.71Å; L105-F362 HydrophobicContact CD2-CZ 3.7Å
106	E	92.6	Very high	94.4	Very high	17 Å²	17	20 Å²	20	8%	0.079	10%	0.099	C	C	.	.	H	α-helix	trans	-67	-48.1	177.4	-68.6	160.5	171.4	0	0	111.1	G102 A104 Y109 E110 W195 F361	G102-E106 WeakPolarHBondContact O-CG 3.23Å; G102-E106 PolarHBondContact O-N 3.16Å; A104-E106 VanDerWaalsContact C-N 3.32Å; A104-E106 PolarHBondContact O-N 3.12Å; E106-Y109 PolarHBondContact O-N 3.07Å; E106-E110 WeakPolarHBondContact O-CB 3.33Å; E106-E110 WeakPolarHBondContact O-CG 3.35Å; E106-E110 PolarHBondContact O-N 3.02Å; E106-W195 PolarHBondContact OE2-NE1 2.93Å; E106-F361 HydrophobicContact CG-CD1 3.9Å; E106-F361 HydrophobicContact CG-CE1 3.86Å
107	L	93.4	Very high	94.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.7	-52	-179.1	-77.9	170.5	0	0	0	113.7	I76 F85 I103 A104 Y109 E110 V111 W195 V261	I76-L107 HydrophobicContact CD1-CD1 3.98Å; I76-L107 HydrophobicContact CD1-CD2 4Å; F85-L107 HydrophobicContact CD1-CD2 3.96Å; F85-L107 HydrophobicContact CE1-CD2 3.27Å; F85-L107 HydrophobicContact CE2-CD2 4.4Å; F85-L107 HydrophobicContact CZ-CD2 3.55Å; I103-L107 HydrophobicContact CG2-CD1 3.71Å; I103-L107 HydrophobicContact CG2-CG 4.28Å; I103-L107 VanDerWaalsContact O-CB 3.24Å; I103-L107 WeakPolarHBondContact O-CB 3.45Å; I103-L107 WeakPolarHBondContact O-CD1 3.34Å; I103-L107 WeakPolarHBondContact O-CG 3.41Å; I103-L107 PolarHBondContact O-N 3.16Å; A104-L107 PolarHBondContact O-N 3.37Å; L107-Y109 PolarHBondContact O-N 3.4Å; L107-E110 PolarHBondContact O-N 2.91Å; L107-V111 WeakPolarHBondContact O-CB 3.5Å; L107-V111 VanDerWaalsContact O-CG2 3.27Å; L107-V111 WeakPolarHBondContact O-CG2 3.37Å; L107-V111 PolarHBondContact O-N 3.09Å; L107-W195 HydrophobicContact CD2-CH2 3.7Å; L107-W195 HydrophobicContact CD2-CZ2 4.01Å; L107-W195 HydrophobicContact CG-CH2 4.36Å; L107-W195 HydrophobicContact CG-CZ2 4.18Å; L107-V261 HydrophobicContact CD1-CG1 3.76Å
108	V	94.4	Very high	94.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.8	-30.6	-176.5	-58.4	0	0	0	0	111.3	V97 A104 V116 W118 L142 R209 V211	V97-V108 HydrophobicContact CB-CG1 4.15Å; V97-V108 HydrophobicContact CG1-CG1 4.08Å; V97-V108 HydrophobicContact CG2-CG1 4.24Å; A104-V108 WeakPolarHBondContact O-CG1 3.34Å; A104-V108 WeakPolarHBondContact O-CG2 3.29Å; A104-V108 PolarHBondContact O-N 3.2Å; V108-V116 HydrophobicContact CB-CG1 4.36Å; V108-V116 HydrophobicContact CG1-CG1 3.88Å; V108-W118 HydrophobicContact CB-CD2 4.29Å; V108-W118 HydrophobicContact CB-CE3 4.09Å; V108-W118 HydrophobicContact CB-CZ3 4.48Å; V108-W118 HydrophobicContact CG1-CB 4.04Å; V108-W118 HydrophobicContact CG1-CD2 3.72Å; V108-W118 HydrophobicContact CG1-CE3 4.03Å; V108-W118 HydrophobicContact CG1-CG 3.72Å; V108-W118 HydrophobicContact CG2-CD2 4.06Å; V108-W118 HydrophobicContact CG2-CE3 3.62Å; V108-W118 HydrophobicContact CG2-CH2 3.89Å; V108-W118 HydrophobicContact CG2-CZ2 4.31Å; V108-W118 HydrophobicContact CG2-CZ3 3.54Å; V108-L142 HydrophobicContact CG2-CD2 4.26Å; V108-R209 PolarHBondContact O-NH2 2.87Å; V108-V211 HydrophobicContact CB-CG1 4.45Å
109	Y	92.7	Very high	94.4	Very high	32 Å²	32	19.8 Å²	19.8	13%	0.125	10%	0.097	C	C	.	.	H	α-helix	trans	-68.2	-58	167.5	-175.8	-113.9	0	0	0	110.6	L105 E106 L107 K146 F362 N363	L105-Y109 WeakPolarHBondContact O-CB 3.21Å; L105-Y109 PolarHBondContact O-N 3.46Å; E106-Y109 PolarHBondContact O-N 3.07Å; L107-Y109 PolarHBondContact O-N 3.4Å; Y109-K146 WeakPolarHBondContact O-CE 3.4Å; Y109-K146 PolarHBondContact O-NZ 2.93Å; Y109-F362 HydrophobicContact CD2-CB 4.05Å; Y109-F362 AromaticContact CD2-CD1 3.66Å; Y109-F362 HydrophobicContact CD2-CD1 3.66Å; Y109-F362 HydrophobicContact CD2-CG 4.27Å; Y109-F362 HydrophobicContact CE2-CB 4.21Å; Y109-F362 HydrophobicContact CG-CB 4.38Å; Y109-F362 HydrophobicContact CG-CD1 4.01Å; Y109-F362 HydrophobicContact CG-CG 4.48Å; Y109-N363 HydrophobicContact CE1-CB 3.98Å; Y109-N363 WeakPolarHBondContact OH-CB 3.36Å
110	E	91.8	Very high	94.4	Very high	38 Å²	38	19.1 Å²	19.1	18%	0.178	9%	0.091	C	C	.	.	H	α-helix	trans	-78.7	-24.6	-163.7	-73.2	-65.2	160.1	0	0	116.6	E106 L107 R112 K146 H196 L201	E106-E110 WeakPolarHBondContact O-CB 3.33Å; E106-E110 WeakPolarHBondContact O-CG 3.35Å; E106-E110 PolarHBondContact O-N 3.02Å; L107-E110 PolarHBondContact O-N 2.91Å; E110-R112 PolarHBondContact O-N 3.45Å; E110-K146 PolarHBondContact O-NZ 2.99Å; E110-H196 VanDerWaalsContact CD-CE1 3.44Å; E110-H196 VanDerWaalsContact CD-ND1 3.35Å; E110-H196 HydrophobicContact CG-CB 4.37Å; E110-H196 WeakPolarHBondContact CG-ND1 3.45Å; E110-H196 IonicContact OE1-CE1 2.75Å; E110-H196 PolarHBondContact OE1-CE1 2.85Å; E110-H196 VanDerWaalsContact OE1-CE1 3.25Å; E110-H196 IonicContact OE1-ND1 2.72Å; E110-H196 IonicContact OE2-ND1 2.91Å; E110-L201 HydrophobicContact CB-CD1 3.94Å
111	V	93.2	Very high	94.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	12%	0.116	C	C	.	.			trans	-59.9	132.4	176.1	168.3	0	0	0	0	111.8	F85 L89 I95 L107 C114 V116 K146 R209	F85-V111 HydrophobicContact CE1-CG2 4.25Å; F85-V111 HydrophobicContact CZ-CG2 3.92Å; L89-V111 HydrophobicContact CD1-CG1 4.07Å; L89-V111 HydrophobicContact CD1-CG2 4.45Å; L89-V111 HydrophobicContact CD2-CG1 4.34Å; L89-V111 HydrophobicContact CD2-CG2 3.99Å; I95-V111 HydrophobicContact CD1-CG2 4.35Å; L107-V111 WeakPolarHBondContact O-CB 3.5Å; L107-V111 VanDerWaalsContact O-CG2 3.27Å; L107-V111 WeakPolarHBondContact O-CG2 3.37Å; L107-V111 PolarHBondContact O-N 3.09Å; V111-C114 HydrophobicContact CG1-CB 3.58Å; V111-V116 HydrophobicContact CB-CG2 4.12Å; V111-V116 HydrophobicContact CG1-CG2 3.74Å; V111-K146 PolarHBondContact O-NZ 3.17Å; V111-R209 VanDerWaalsContact O-CD 3.27Å; V111-R209 WeakPolarHBondContact O-CD 3.32Å; V111-R209 PolarHBondContact O-NE 3.45Å; V111-R209 VanDerWaalsContact O-NE 3.08Å
112	R	91.3	Very high	94.5	Very high	77 Å²	77	26 Å²	26	29%	0.291	12%	0.117	S	C	.	.	B	Isolated β-bridge	trans	-117.2	158.6	175.3	-57.6	-176	-174.9	-134.1	-2	109.3	E110 C114 K146 E147 L201 Q202 G203	E110-R112 PolarHBondContact O-N 3.45Å; R112-C114 VanDerWaalsContact C-N 3.29Å; R112-C114 PolarHBondContact O-N 2.75Å; R112-K146 HydrophobicContact CG-CD 3.98Å; R112-E147 PolarHBondContact NH2-O 3.29Å; R112-L201 PolarHBondContact N-O 2.84Å; R112-Q202 HydrophobicContact CB-CG 4.36Å; R112-Q202 CarbonylContact O-C 3.56Å; R112-Q202 WeakPolarHBondContact O-CA 3.37Å; R112-G203 PolarHBondContact O-N 3.4Å
113	R	92.2	Very high	94.6	Very high	110 Å²	110	33 Å²	33	42%	0.415	14%	0.143	S	C	.	.	S	Bend	trans	50.3	40.9	176	-59.9	179.3	177.6	169.6	-3.5	114.8	Q202 G203 A204 A207	R113-Q202 VanDerWaalsContact NH1-OE1 3.1Å; R113-G203 CarbonylContact O-C 3.35Å; R113-G203 VanDerWaalsContact O-C 3.26Å; R113-G203 WeakPolarHBondContact O-CA 3.41Å; R113-A204 PolarHBondContact O-N 2.81Å; R113-A207 CarbonylContact C-O 3.54Å; R113-A207 VanDerWaalsContact CA-O 3.24Å; R113-A207 WeakPolarHBondContact CA-O 3.48Å; R113-A207 WeakPolarHBondContact CB-O 3.32Å; R113-A207 VanDerWaalsContact O-CB 3.25Å; R113-A207 WeakPolarHBondContact O-CB 3.1Å
114	C	94.3	Very high	94.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-153.5	146.7	179.2	-153.3	0	0	0	0	109.5	L89 K93 V111 R112 S208 R209 R210	L89-C114 HydrophobicContact CD1-CB 4.22Å; K93-C114 PolarHBondContact O-SG 3.18Å; V111-C114 HydrophobicContact CG1-CB 3.58Å; R112-C114 VanDerWaalsContact C-N 3.29Å; R112-C114 PolarHBondContact O-N 2.75Å; C114-S208 CarbonylContact C-O 3.56Å; C114-S208 PolarHBondContact N-O 3.45Å; C114-R209 WeakPolarHBondContact O-CA 3.47Å; C114-R210 PolarHBondContact O-N 3.09Å
115	E	95	Very high	94.6	Very high	34 Å²	34	31.3 Å²	31.3	16%	0.159	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.1	165.9	-174.6	166.6	-135.1	0	0	109.4	K93 R94 I95 R210	K93-E115 PolarHBondContact O-N 2.73Å; R94-E115 CarbonylContact C-O 3.53Å; R94-E115 WeakPolarHBondContact CA-O 3.34Å; R94-E115 HydrophobicContact CB-CB 4.15Å; R94-E115 HydrophobicContact CG-CB 4.07Å; R94-E115 HydrophobicContact CG-CG 4.26Å; R94-E115 IonicContact CZ-OE2 3.9Å; R94-E115 IonicContact NE-OE2 2.76Å; R94-E115 PolarHBondContact NE-OE2 2.79Å; R94-E115 IonicContact NH2-OE2 3.88Å; R94-E115 PolarHBondContact NH2-OE2 2.8Å; I95-E115 PolarHBondContact N-O 2.85Å; E115-R210 CarbonylContact C-O 3.6Å; E115-R210 WeakPolarHBondContact CA-O 3.26Å; E115-R210 HydrophobicContact CG-CB 4.3Å; E115-R210 WeakPolarHBondContact OE1-CD 3.48Å; E115-R210 IonicContact OE1-CZ 2.67Å; E115-R210 IonicContact OE1-NE 3.64Å; E115-R210 IonicContact OE1-NH1 3.87Å; E115-R210 PolarHBondContact OE1-NH1 3.49Å
116	V	96.8	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.3	-177.1	-176	0	0	0	0	108.3	I95 V97 V108 V111 R210 V211 S212	I95-V116 HydrophobicContact CD1-CG1 4.46Å; I95-V116 HydrophobicContact CD1-CG2 4.23Å; I95-V116 HydrophobicContact CG1-CB 4.44Å; I95-V116 HydrophobicContact CG1-CG1 4.26Å; I95-V116 HydrophobicContact CG1-CG2 4.04Å; V97-V116 HydrophobicContact CB-CG1 4.48Å; V97-V116 HydrophobicContact CG2-CG1 3.81Å; V108-V116 HydrophobicContact CB-CG1 4.36Å; V108-V116 HydrophobicContact CG1-CG1 3.88Å; V111-V116 HydrophobicContact CB-CG2 4.12Å; V111-V116 HydrophobicContact CG1-CG2 3.74Å; V116-R210 PolarHBondContact N-O 3.49Å; V116-V211 HydrophobicContact CB-CG1 4.46Å; V116-V211 HydrophobicContact CB-CG2 4.31Å; V116-V211 WeakPolarHBondContact O-CA 3.42Å; V116-S212 PolarHBondContact O-N 3.27Å
117	I	97.5	Very high	94.4	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.9	172.1	-62.1	152	0	0	0	107	R94 I95 V96 V97 E214 F255	R94-I117 HydrophobicContact CG-CD1 3.94Å; I95-I117 PolarHBondContact O-N 3.26Å; V96-I117 CarbonylContact C-O 3.52Å; V96-I117 WeakPolarHBondContact CA-O 3.42Å; V96-I117 HydrophobicContact CG2-CB 4.2Å; V96-I117 HydrophobicContact CG2-CD1 4.24Å; V97-I117 PolarHBondContact N-O 3.37Å; I117-E214 HydrophobicContact CG2-CG 4.03Å; I117-F255 HydrophobicContact CD1-CB 3.74Å; I117-F255 HydrophobicContact CD1-CD1 3.45Å; I117-F255 VanDerWaalsContact CD1-CD1 3.45Å; I117-F255 HydrophobicContact CD1-CE1 4.17Å; I117-F255 HydrophobicContact CD1-CG 3.68Å; I117-F255 HydrophobicContact CG1-CD1 4.24Å; I117-F255 HydrophobicContact CG2-CD1 4.39Å; I117-F255 HydrophobicContact CG2-CD2 4.01Å; I117-F255 HydrophobicContact CG2-CE1 4.41Å; I117-F255 HydrophobicContact CG2-CE2 4.03Å; I117-F255 HydrophobicContact CG2-CG 4.18Å; I117-F255 HydrophobicContact CG2-CZ 4.23Å
118	W	97.9	Very high	94.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	103.7	-175.3	-174.7	16.3	0	0	0	110.4	V97 G99 A104 L105 V108 V120 I125 L142 S212 V213 E214	V97-W118 CarbonylContact O-C 3.58Å; V97-W118 WeakPolarHBondContact O-CA 3.27Å; G99-W118 PolarHBondContact O-NE1 3.1Å; A104-W118 HydrophobicContact CB-CZ2 4.32Å; L105-W118 HydrophobicContact CD2-CH2 3.65Å; L105-W118 HydrophobicContact CD2-CZ2 4.13Å; L105-W118 HydrophobicContact CG-CH2 4.48Å; V108-W118 HydrophobicContact CB-CD2 4.29Å; V108-W118 HydrophobicContact CB-CE3 4.09Å; V108-W118 HydrophobicContact CB-CZ3 4.48Å; V108-W118 HydrophobicContact CG1-CB 4.04Å; V108-W118 HydrophobicContact CG1-CD2 3.72Å; V108-W118 HydrophobicContact CG1-CE3 4.03Å; V108-W118 HydrophobicContact CG1-CG 3.72Å; V108-W118 HydrophobicContact CG2-CD2 4.06Å; V108-W118 HydrophobicContact CG2-CE3 3.62Å; V108-W118 HydrophobicContact CG2-CH2 3.89Å; V108-W118 HydrophobicContact CG2-CZ2 4.31Å; V108-W118 HydrophobicContact CG2-CZ3 3.54Å; W118-V120 HydrophobicContact CD2-CG1 4.13Å; W118-V120 HydrophobicContact CG-CG1 4.19Å; W118-V120 HydrophobicContact CZ2-CG1 4.17Å; W118-V120 VanDerWaalsContact NE1-CG1 3.32Å; W118-I125 HydrophobicContact CE3-CG2 3.98Å; W118-I125 HydrophobicContact CH2-CB 3.5Å; W118-I125 HydrophobicContact CH2-CD1 4.12Å; W118-I125 HydrophobicContact CH2-CG1 4.4Å; W118-I125 HydrophobicContact CH2-CG2 3.56Å; W118-I125 HydrophobicContact CZ2-CB 4.27Å; W118-I125 HydrophobicContact CZ2-CG2 4.23Å; W118-I125 HydrophobicContact CZ3-CB 3.8Å; W118-I125 HydrophobicContact CZ3-CD1 3.91Å; W118-I125 HydrophobicContact CZ3-CG1 4.48Å; W118-I125 HydrophobicContact CZ3-CG2 3.41Å; W118-I125 VanDerWaalsContact CZ3-CG2 3.41Å; W118-L142 HydrophobicContact CZ3-CD1 4.41Å; W118-S212 PolarHBondContact N-O 3.31Å; W118-V213 HydrophobicContact CB-CG2 4.45Å; W118-V213 HydrophobicContact CD2-CG1 4.4Å; W118-V213 HydrophobicContact CE3-CG1 4.21Å; W118-V213 HydrophobicContact CE3-CG2 3.77Å; W118-V213 CarbonylContact O-C 3.6Å; W118-V213 WeakPolarHBondContact O-CA 3.35Å; W118-E214 PolarHBondContact O-N 3.26Å
119	A	98	Very high	94.1	Very high	2 Å²	2	37 Å²	37	2%	0.017	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.3	177.7	0	0	0	0	0	110.8	V97 V98 G99 L249	V97-A119 PolarHBondContact O-N 2.85Å; V98-A119 HydrophobicContact CG2-CB 4.4Å; G99-A119 PolarHBondContact N-O 2.82Å; G99-A119 VanDerWaalsContact N-O 3.1Å; A119-L249 HydrophobicContact CB-CD1 4.18Å; A119-L249 HydrophobicContact CB-CD2 4.06Å
120	V	96.8	Very high	93.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.164	C	C	.	.			trans	-124	133.4	176.6	-57.9	0	0	0	0	110.9	N100 W118 D122 V213 E214 Y215 Q216 C217	N100-V120 HydrophobicContact CB-CB 4.35Å; N100-V120 HydrophobicContact CB-CG1 4.06Å; W118-V120 HydrophobicContact CD2-CG1 4.13Å; W118-V120 HydrophobicContact CG-CG1 4.19Å; W118-V120 HydrophobicContact CZ2-CG1 4.17Å; W118-V120 VanDerWaalsContact NE1-CG1 3.32Å; V120-D122 PolarHBondContact O-N 3Å; V120-V213 HydrophobicContact CG2-CG1 4.05Å; V120-E214 WeakPolarHBondContact CG2-O 3.42Å; V120-E214 PolarHBondContact N-O 2.96Å; V120-Y215 HydrophobicContact CG2-CD1 3.53Å; V120-Y215 HydrophobicContact CG2-CE1 4.03Å; V120-Y215 HydrophobicContact CG2-CG 4.2Å; V120-Y215 CarbonylContact O-C 3.51Å; V120-Q216 PolarHBondContact O-N 3.06Å; V120-C217 CarbonylContact C-O 3.57Å; V120-C217 PolarHBondContact O-N 2.69Å; V120-C217 VanDerWaalsContact O-N 3.09Å
121	K	95.7	Very high	93.8	Very high	137 Å²	137	35.8 Å²	35.8	60%	0.596	17%	0.166	S	C	*	.	S	Bend	trans	-71	-13.9	175.7	67.7	174.3	-173.5	172	0	113.7	C217 E218	K121-C217 VanDerWaalsContact CA-O 3.31Å; K121-C217 WeakPolarHBondContact CA-O 3.23Å; K121-C217 PolarHBondContact N-O 3.4Å; K121-E218 HydrophobicContact CB-CG 3.87Å
122	D	95.2	Very high	93.7	Very high	37 Å²	37	38.8 Å²	38.8	20%	0.198	19%	0.191	C	C	.	.	S	Bend	trans	-92.9	169.9	-172.2	-66.5	-71.6	0	0	0	112.4	N100 V120 A124 N127 Q216	N100-D122 WeakPolarHBondContact ND2-CB 3.23Å; N100-D122 PolarHBondContact ND2-OD2 2.88Å; V120-D122 PolarHBondContact O-N 3Å; D122-A124 WeakPolarHBondContact CB-O 3.38Å; D122-N127 HydrophobicContact CB-CB 4.39Å; D122-N127 WeakPolarHBondContact CB-ND2 3.44Å; D122-N127 VanDerWaalsContact CG-ND2 3.33Å; D122-N127 PolarHBondContact OD1-ND2 2.98Å; D122-Q216 PolarHBondContact O-N 2.92Å
123	K	94.2	Very high	93.8	Very high	161 Å²	161	36.7 Å²	36.7	70%	0.7	19%	0.193	S	C	*	.	S	Bend	trans	-82	-12.2	173.2	-67.8	-178	177.1	-179.7	0	114.2	Q216	K123-Q216 HydrophobicContact CG-CG 3.91Å
124	A	94.3	Very high	93.8	Very high	10 Å²	10	31.5 Å²	31.5	8%	0.083	17%	0.173	C	C	.	.	S	Bend	trans	-146.7	161.9	-177.9	0	0	0	0	0	109.6	N100 D122 N127 A132 A135	N100-A124 PolarHBondContact ND2-O 2.84Å; D122-A124 WeakPolarHBondContact CB-O 3.38Å; A124-N127 PolarHBondContact O-OD1 3.35Å; A124-A132 HydrophobicContact CB-CB 4.13Å; A124-A135 HydrophobicContact CB-CB 4.09Å
125	I	95	Very high	93.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	147.8	178.3	60	165.5	0	0	0	111.7	N100 W118 N127 A135 I139 V213 Y215 F362	N100-I125 WeakPolarHBondContact OD1-CA 3.47Å; W118-I125 HydrophobicContact CE3-CG2 3.98Å; W118-I125 HydrophobicContact CH2-CB 3.5Å; W118-I125 HydrophobicContact CH2-CD1 4.12Å; W118-I125 HydrophobicContact CH2-CG1 4.4Å; W118-I125 HydrophobicContact CH2-CG2 3.56Å; W118-I125 HydrophobicContact CZ2-CB 4.27Å; W118-I125 HydrophobicContact CZ2-CG2 4.23Å; W118-I125 HydrophobicContact CZ3-CB 3.8Å; W118-I125 HydrophobicContact CZ3-CD1 3.91Å; W118-I125 HydrophobicContact CZ3-CG1 4.48Å; W118-I125 HydrophobicContact CZ3-CG2 3.41Å; W118-I125 VanDerWaalsContact CZ3-CG2 3.41Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 2.85Å; I125-A135 HydrophobicContact CG1-CB 3.77Å; I125-A135 WeakPolarHBondContact O-CB 3.39Å; I125-I139 HydrophobicContact CD1-CG1 3.71Å; I125-I139 HydrophobicContact CG1-CG1 4.22Å; I125-V213 HydrophobicContact CG2-CG1 3.89Å; I125-Y215 HydrophobicContact CG2-CE1 3.84Å; I125-F362 HydrophobicContact CD1-CZ 3.97Å
126	G	92.9	Very high	93.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	26.3	174.2	0	0	0	0	0	115.4	N100 T128 F129 F130	N100-G126 PolarHBondContact OD1-N 2.85Å; G126-T128 PolarHBondContact O-N 3.21Å; G126-F129 PolarHBondContact O-N 2.91Å; G126-F130 PolarHBondContact O-N 2.99Å
127	N	90.4	Very high	93.6	Very high	58 Å²	58	36.8 Å²	36.8	31%	0.31	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-22.8	-176.9	-87.9	24.4	0	0	0	115.3	D122 A124 I125 F129 F130	D122-N127 HydrophobicContact CB-CB 4.39Å; D122-N127 WeakPolarHBondContact CB-ND2 3.44Å; D122-N127 VanDerWaalsContact CG-ND2 3.33Å; D122-N127 PolarHBondContact OD1-ND2 2.98Å; A124-N127 PolarHBondContact O-OD1 3.35Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 2.85Å; N127-F129 VanDerWaalsContact C-N 3.26Å; N127-F129 PolarHBondContact O-N 3.19Å; N127-F130 WeakPolarHBondContact CA-O 3.47Å
128	T	88.9	Confident	93.4	Very high	68 Å²	68	36.7 Å²	36.7	42%	0.417	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.2	173.7	-53.5	0	0	0	0	113.3	G126 M320	G126-T128 PolarHBondContact O-N 3.21Å; T128-M320 HydrophobicContact CG2-CE 3.71Å
129	F	91.4	Very high	93.1	Very high	10 Å²	10	38.7 Å²	38.7	4%	0.044	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-24.5	-173.7	-56.7	-81.5	0	0	0	113	L105 G126 N127 M320 L322 F361 L368 F372	L105-F129 HydrophobicContact CD1-CD2 3.78Å; L105-F129 HydrophobicContact CD1-CE2 4.28Å; G126-F129 PolarHBondContact O-N 2.91Å; N127-F129 VanDerWaalsContact C-N 3.26Å; N127-F129 PolarHBondContact O-N 3.19Å; F129-M320 HydrophobicContact CD1-CE 4.45Å; F129-M320 HydrophobicContact CE1-CE 4.01Å; F129-M320 HydrophobicContact CZ-CE 4.46Å; F129-L322 HydrophobicContact CE1-CD2 3.96Å; F129-L322 HydrophobicContact CZ-CD2 4.18Å; F129-F361 HydrophobicContact CB-CE2 4.23Å; F129-F361 HydrophobicContact CD1-CE2 4.17Å; F129-F361 AromaticContact CD2-CE2 3.99Å; F129-F361 HydrophobicContact CD2-CE2 3.99Å; F129-F361 HydrophobicContact CD2-CZ 4.17Å; F129-F361 HydrophobicContact CE2-CE2 4.45Å; F129-F361 HydrophobicContact CE2-CZ 4.18Å; F129-F361 AromaticContact CG-CE2 3.85Å; F129-F361 HydrophobicContact CG-CE2 3.85Å; F129-F361 HydrophobicContact CG-CZ 4.37Å; F129-F361 HydrophobicContact CZ-CZ 4.34Å; F129-L368 HydrophobicContact CB-CD1 4Å; F129-L368 HydrophobicContact CD1-CD1 3.6Å; F129-L368 HydrophobicContact CG-CD1 4.29Å; F129-L368 WeakPolarHBondContact O-CD2 3.22Å; F129-F372 WeakPolarHBondContact O-CD2 3.4Å; F129-F372 WeakPolarHBondContact O-CE2 3.21Å
130	F	89.5	Confident	92.8	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.013	23%	0.226	C	C	.	.			trans	-130.2	162.7	-168.7	-60.3	-51.3	0	0	0	112.4	L105 G126 N127 A134 L138 F361 V366 N373 V407 I409	L105-F130 HydrophobicContact CD1-CE2 4.35Å; G126-F130 PolarHBondContact O-N 2.99Å; N127-F130 WeakPolarHBondContact CA-O 3.47Å; F130-A134 HydrophobicContact CB-CB 3.9Å; F130-A134 HydrophobicContact CD1-CB 3.84Å; F130-A134 HydrophobicContact CG-CB 4.11Å; F130-L138 HydrophobicContact CD1-CD1 4.46Å; F130-L138 HydrophobicContact CD2-CD1 3.81Å; F130-L138 HydrophobicContact CE1-CD1 4.04Å; F130-L138 HydrophobicContact CE2-CD1 3.32Å; F130-L138 HydrophobicContact CG-CD1 4.34Å; F130-L138 HydrophobicContact CZ-CD1 3.42Å; F130-L138 VanDerWaalsContact CZ-CD1 3.42Å; F130-F361 HydrophobicContact CE2-CB 4.46Å; F130-F361 AromaticContact CE2-CD2 3.74Å; F130-F361 HydrophobicContact CE2-CD2 3.74Å; F130-F361 HydrophobicContact CE2-CE2 4.42Å; F130-F361 HydrophobicContact CE2-CG 4.45Å; F130-F361 HydrophobicContact CZ-CB 4.38Å; F130-F361 AromaticContact CZ-CD2 3.63Å; F130-F361 HydrophobicContact CZ-CD2 3.63Å; F130-F361 HydrophobicContact CZ-CE2 4.43Å; F130-F361 HydrophobicContact CZ-CG 4.46Å; F130-V366 HydrophobicContact CE1-CG1 3.64Å; F130-V366 HydrophobicContact CE1-CG2 4.27Å; F130-V366 HydrophobicContact CZ-CG1 3.87Å; F130-V366 HydrophobicContact CZ-CG2 3.92Å; F130-N373 VanDerWaalsContact C-ND2 3.33Å; F130-N373 PolarHBondContact N-ND2 3.07Å; F130-N373 PolarHBondContact O-ND2 3.17Å; F130-V407 HydrophobicContact CD1-CG1 4.24Å; F130-V407 HydrophobicContact CE1-CG1 4.39Å; F130-I409 HydrophobicContact CD1-CD1 4.05Å; F130-I409 HydrophobicContact CE1-CD1 3.6Å; F130-I409 HydrophobicContact CE1-CG1 4.21Å; F130-I409 HydrophobicContact CZ-CD1 4.34Å
131	D	89.8	Confident	92.4	Very high	41 Å²	41	42.8 Å²	42.8	22%	0.219	24%	0.235	C	C	.	.			trans	-100.9	-178.3	161.4	62.4	35.4	0	0	0	110.8	G133 A134 A135 K395	D131-G133 PolarHBondContact O-N 3.35Å; D131-G133 WeakPolarHBondContact OD1-CA 3.47Å; D131-G133 PolarHBondContact OD1-N 3.47Å; D131-A134 PolarHBondContact O-N 3.36Å; D131-A134 PolarHBondContact OD1-N 2.71Å; D131-A135 VanDerWaalsContact O-CB 3.28Å; D131-A135 WeakPolarHBondContact O-CB 3.45Å; D131-A135 PolarHBondContact O-N 2.8Å; D131-K395 WeakPolarHBondContact OD2-CD 3.34Å; D131-K395 WeakPolarHBondContact OD2-CE 3.29Å; D131-K395 IonicContact OD2-NZ 3.54Å; D131-K395 PolarHBondContact OD2-NZ 2.85Å
132	A	91.1	Very high	91.9	Very high	65 Å²	65	37 Å²	37	54%	0.537	21%	0.211	S	C	.	.	H	α-helix	trans	-63	-25.6	179.9	0	0	0	0	0	114	A124 Q136	A124-A132 HydrophobicContact CB-CB 4.13Å; A132-Q136 VanDerWaalsContact O-CB 3.28Å; A132-Q136 WeakPolarHBondContact O-CB 2.99Å; A132-Q136 PolarHBondContact O-N 2.68Å
133	G	92.3	Very high	91.2	Very high	33 Å²	33	43.2 Å²	43.2	34%	0.34	24%	0.239	S	C	.	.	H	α-helix	trans	-73.6	-50.6	178	0	0	0	0	0	111.4	D131 A135 Q136 F137	D131-G133 PolarHBondContact O-N 3.35Å; D131-G133 WeakPolarHBondContact OD1-CA 3.47Å; D131-G133 PolarHBondContact OD1-N 3.47Å; G133-A135 VanDerWaalsContact C-N 3.34Å; G133-A135 PolarHBondContact O-N 3.23Å; G133-Q136 PolarHBondContact O-N 3.23Å; G133-F137 PolarHBondContact O-N 2.69Å; G133-F137 VanDerWaalsContact O-N 3.08Å
134	A	93.5	Very high	89.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-41.8	172.7	0	0	0	0	0	111.8	F130 D131 Q136 F137 L138 Y393 I409	F130-A134 HydrophobicContact CB-CB 3.9Å; F130-A134 HydrophobicContact CD1-CB 3.84Å; F130-A134 HydrophobicContact CG-CB 4.11Å; D131-A134 PolarHBondContact O-N 3.36Å; D131-A134 PolarHBondContact OD1-N 2.71Å; A134-Q136 VanDerWaalsContact C-N 3.34Å; A134-Q136 PolarHBondContact O-N 3.22Å; A134-F137 WeakPolarHBondContact O-CB 3.33Å; A134-F137 PolarHBondContact O-N 2.95Å; A134-L138 WeakPolarHBondContact O-CG 3.47Å; A134-L138 PolarHBondContact O-N 2.81Å; A134-L138 VanDerWaalsContact O-N 3.16Å; A134-Y393 HydrophobicContact CB-CD1 4.07Å; A134-Y393 HydrophobicContact CB-CE1 3.69Å; A134-Y393 PolarHBondContact N-OH 3.17Å; A134-I409 HydrophobicContact CB-CD1 3.87Å
135	A	93.9	Very high	88.5	Confident	2 Å²	2	45 Å²	45	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-57.7	-45.1	173.5	0	0	0	0	0	112.1	A124 I125 D131 G133 F137 L138 I139	A124-A135 HydrophobicContact CB-CB 4.09Å; I125-A135 HydrophobicContact CG1-CB 3.77Å; I125-A135 WeakPolarHBondContact O-CB 3.39Å; D131-A135 VanDerWaalsContact O-CB 3.28Å; D131-A135 WeakPolarHBondContact O-CB 3.45Å; D131-A135 PolarHBondContact O-N 2.8Å; G133-A135 VanDerWaalsContact C-N 3.34Å; G133-A135 PolarHBondContact O-N 3.23Å; A135-F137 VanDerWaalsContact C-N 3.3Å; A135-F137 PolarHBondContact O-N 2.86Å; A135-L138 PolarHBondContact O-N 2.78Å; A135-L138 VanDerWaalsContact O-N 3.12Å; A135-I139 WeakPolarHBondContact O-CG1 3.16Å; A135-I139 PolarHBondContact O-N 3.03Å
136	Q	93.6	Very high	87.1	Confident	122 Å²	122	46.7 Å²	46.7	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-67.2	-28.4	179.4	-173.8	57.2	82.4	0	0	113.4	A132 G133 A134	A132-Q136 VanDerWaalsContact O-CB 3.28Å; A132-Q136 WeakPolarHBondContact O-CB 2.99Å; A132-Q136 PolarHBondContact O-N 2.68Å; G133-Q136 PolarHBondContact O-N 3.23Å; A134-Q136 VanDerWaalsContact C-N 3.34Å; A134-Q136 PolarHBondContact O-N 3.22Å
137	F	94.1	Very high	85.3	Confident	21 Å²	21	55 Å²	55	9%	0.092	31%	0.309	C	S	.	.	H	α-helix	trans	-67.2	-38	170.3	172.9	-91.6	0	0	0	112.2	G133 A134 A135 P140 Y364 E392 Y393 I409	G133-F137 PolarHBondContact O-N 2.69Å; G133-F137 VanDerWaalsContact O-N 3.08Å; A134-F137 WeakPolarHBondContact O-CB 3.33Å; A134-F137 PolarHBondContact O-N 2.95Å; A135-F137 VanDerWaalsContact C-N 3.3Å; A135-F137 PolarHBondContact O-N 2.86Å; F137-P140 WeakPolarHBondContact O-CD 3.38Å; F137-Y364 HydrophobicContact CE1-CD1 4.29Å; F137-Y364 HydrophobicContact CE1-CD2 4.3Å; F137-Y364 HydrophobicContact CE1-CE1 4.05Å; F137-Y364 HydrophobicContact CE1-CE2 4.05Å; F137-Y364 HydrophobicContact CE1-CG 4.42Å; F137-Y364 AromaticContact CE1-CZ 3.93Å; F137-Y364 AromaticContact CZ-CE1 3.99Å; F137-Y364 HydrophobicContact CZ-CE1 3.99Å; F137-E392 VanDerWaalsContact CE2-O 3.27Å; F137-E392 WeakPolarHBondContact CE2-O 3.39Å; F137-Y393 HydrophobicContact CB-CD2 4.09Å; F137-Y393 HydrophobicContact CB-CG 4.47Å; F137-Y393 HydrophobicContact CD2-CD2 4.49Å; F137-Y393 HydrophobicContact CG-CD2 4.36Å; F137-Y393 HydrophobicContact CG-CG 4.43Å; F137-I409 HydrophobicContact CD1-CG2 4.22Å; F137-I409 HydrophobicContact CE1-CB 4.48Å; F137-I409 HydrophobicContact CE1-CG2 3.75Å
138	L	93.1	Very high	83.1	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-84.7	-28.3	-174.9	-65.1	169.4	0	0	0	114.5	F130 A134 A135 P140 S141 F362 Y364 I409	F130-L138 HydrophobicContact CD1-CD1 4.46Å; F130-L138 HydrophobicContact CD2-CD1 3.81Å; F130-L138 HydrophobicContact CE1-CD1 4.04Å; F130-L138 HydrophobicContact CE2-CD1 3.32Å; F130-L138 HydrophobicContact CG-CD1 4.34Å; F130-L138 HydrophobicContact CZ-CD1 3.42Å; F130-L138 VanDerWaalsContact CZ-CD1 3.42Å; A134-L138 WeakPolarHBondContact O-CG 3.47Å; A134-L138 PolarHBondContact O-N 2.81Å; A134-L138 VanDerWaalsContact O-N 3.16Å; A135-L138 PolarHBondContact O-N 2.78Å; A135-L138 VanDerWaalsContact O-N 3.12Å; L138-P140 VanDerWaalsContact C-CD 3.47Å; L138-S141 VanDerWaalsContact O-CB 3.29Å; L138-S141 WeakPolarHBondContact O-CB 3.37Å; L138-S141 PolarHBondContact O-N 3.26Å; L138-F362 HydrophobicContact CB-CD2 3.8Å; L138-F362 HydrophobicContact CB-CE2 4Å; L138-F362 HydrophobicContact CB-CG 4.25Å; L138-F362 HydrophobicContact CD1-CD2 3.8Å; L138-F362 HydrophobicContact CD1-CE2 3.9Å; L138-F362 HydrophobicContact CD2-CB 4.18Å; L138-F362 HydrophobicContact CD2-CD2 3.84Å; L138-F362 HydrophobicContact CD2-CG 4.32Å; L138-F362 HydrophobicContact CG-CD2 4.01Å; L138-F362 HydrophobicContact CG-CE2 4.41Å; L138-Y364 HydrophobicContact CD2-CD2 3.71Å; L138-Y364 HydrophobicContact CD2-CE2 4.25Å; L138-Y364 HydrophobicContact CD2-CG 4.45Å; L138-I409 HydrophobicContact CD1-CD1 4.31Å; L138-I409 HydrophobicContact CD2-CG2 4.08Å
139	I	91.7	Very high	81.2	Confident	42 Å²	42	62 Å²	62	22%	0.215	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-49.6	-44.9	-178.5	-79.3	166	0	0	0	114	I125 A135 S141 L142	I125-I139 HydrophobicContact CD1-CG1 3.71Å; I125-I139 HydrophobicContact CG1-CG1 4.22Å; A135-I139 WeakPolarHBondContact O-CG1 3.16Å; A135-I139 PolarHBondContact O-N 3.03Å; I139-S141 PolarHBondContact O-N 3.44Å; I139-S141 VanDerWaalsContact O-N 3.12Å; I139-L142 VanDerWaalsContact O-CB 3.29Å; I139-L142 WeakPolarHBondContact O-CB 2.82Å; I139-L142 PolarHBondContact O-N 2.91Å
140	P	91	Very high	78.7	Confident	61 Å²	61	66.2 Å²	66.2	40%	0.396	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-56.9	-27.5	178.7	-27.6	36.6	0	0	0	114.6	F137 L138 L142 E143	F137-P140 WeakPolarHBondContact O-CD 3.38Å; L138-P140 VanDerWaalsContact C-CD 3.47Å; P140-L142 PolarHBondContact O-N 2.97Å; P140-E143 PolarHBondContact O-N 2.91Å; P140-E143 VanDerWaalsContact O-N 3.09Å
141	S	88	Confident	76.3	Confident	28 Å²	28	70.2 Å²	70.2	20%	0.196	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-66.1	-15	175.4	-58.5	0	0	0	0	113.5	L138 I139	L138-S141 VanDerWaalsContact O-CB 3.29Å; L138-S141 WeakPolarHBondContact O-CB 3.37Å; L138-S141 PolarHBondContact O-N 3.26Å; I139-S141 PolarHBondContact O-N 3.44Å; I139-S141 VanDerWaalsContact O-N 3.12Å
142	L	86.2	Confident	73.9	Confident	14 Å²	14	74.2 Å²	74.2	7%	0.073	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-75.6	-24.5	172.3	-69.7	174	0	0	0	112.9	V108 W118 I139 P140 R209 V211 V213 F362	V108-L142 HydrophobicContact CG2-CD2 4.26Å; W118-L142 HydrophobicContact CZ3-CD1 4.41Å; I139-L142 VanDerWaalsContact O-CB 3.29Å; I139-L142 WeakPolarHBondContact O-CB 2.82Å; I139-L142 PolarHBondContact O-N 2.91Å; P140-L142 PolarHBondContact O-N 2.97Å; L142-R209 PolarHBondContact O-NH1 2.92Å; L142-R209 PolarHBondContact O-NH2 2.85Å; L142-V211 HydrophobicContact CD1-CG1 4.36Å; L142-V211 HydrophobicContact CD2-CG1 4.26Å; L142-V211 HydrophobicContact CD2-CG2 4.36Å; L142-V213 HydrophobicContact CD1-CG2 4.41Å; L142-F362 HydrophobicContact CD2-CD1 4.23Å; L142-F362 HydrophobicContact CD2-CE1 3.74Å; L142-F362 HydrophobicContact CG-CD1 4.43Å; L142-F362 HydrophobicContact CG-CE1 3.99Å
143	E	80.4	Confident	71.4	Confident	169 Å²	169	73.8 Å²	73.8	79%	0.79	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-22.8	-173.3	-60.8	-174	161	0	0	113.5	P140	P140-E143 PolarHBondContact O-N 2.91Å; P140-E143 VanDerWaalsContact O-N 3.09Å
144	G	66.9	Low	68.8	Low	38 Å²	38	79.3 Å²	79.3	39%	0.392	46%	0.457	S	S	.	.	S	Bend	trans	-69.2	150.6	-176.8	0	0	0	0	0	114.8	K146	G144-K146 PolarHBondContact O-N 3.25Å
145	D	64.3	Low	66.6	Low	171 Å²	171	81.9 Å²	81.9	91%	0.914	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-63.7	129.3	161.4	-86.2	-37.9	0	0	0	109.2	E147	D145-E147 PolarHBondContact O-N 3.33Å
146	K	66.5	Low	64.1	Low	34 Å²	34	85 Å²	85	15%	0.148	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-77.7	116.8	177.7	-66.5	174.9	-176.7	166.4	0	110.2	Y109 E110 V111 R112 G144	Y109-K146 WeakPolarHBondContact O-CE 3.4Å; Y109-K146 PolarHBondContact O-NZ 2.93Å; E110-K146 PolarHBondContact O-NZ 2.99Å; V111-K146 PolarHBondContact O-NZ 3.17Å; R112-K146 HydrophobicContact CG-CD 3.98Å; G144-K146 PolarHBondContact O-N 3.25Å
147	E	54.1	Low	61.7	Low	174 Å²	174	81.2 Å²	81.2	81%	0.813	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-53	152.5	162.8	-62	-169.7	157.5	0	0	110.6	R112 D145 A149	R112-E147 PolarHBondContact NH2-O 3.29Å; D145-E147 PolarHBondContact O-N 3.33Å; E147-A149 PolarHBondContact O-N 3.42Å
148	Q	46	Very low	59.2	Low	184 Å²	184	83.7 Å²	83.7	86%	0.86	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-68.8	121.9	168.8	-93	175	-26.9	0	0	107.6
149	A	48	Very low	56.9	Low	89 Å²	89	84.7 Å²	84.7	74%	0.736	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-57.2	148.2	178	0	0	0	0	0	110.6	E147	E147-A149 PolarHBondContact O-N 3.42Å
150	A	38.9	Very low	54.6	Low	99 Å²	99	85.4 Å²	85.4	82%	0.818	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-60.4	170.8	176.9	0	0	0	0	0	112.6
151	A	39.4	Very low	52.5	Low	88 Å²	88	89.6 Å²	89.6	73%	0.727	50%	0.499	S	S	*	.	S	Bend	trans	-42.9	151.1	-172.3	0	0	0	0	0	115.5	C153	A151-C153 PolarHBondContact O-N 3.37Å
152	P	38.5	Very low	50.1	Low	124 Å²	124	96.9 Å²	96.9	81%	0.805	53%	0.53	S	S	*	.			trans	-57.4	108.7	-171.1	22.2	-34.9	0	0	0	113.6
153	C	38.6	Very low	47.7	Very low	56 Å²	56	100.7 Å²	100.7	38%	0.378	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-64.4	133.9	158.8	-150	0	0	0	0	108	D9 A151 R155 R197	D9-C153 PolarHBondContact OD1-SG 3.39Å; A151-C153 PolarHBondContact O-N 3.37Å; C153-R155 PolarHBondContact O-N 2.71Å; C153-R197 VanDerWaalsContact CB-NH1 3.32Å; C153-R197 PolarHBondContact SG-NH1 3.08Å
154	K	37.6	Very low	45.9	Very low	150 Å²	150	95.9 Å²	95.9	65%	0.652	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-75.9	129.6	-176.4	-64.7	176.7	179.2	177.6	0	108.4	V10	V10-K154 CarbonylContact C-O 3.56Å; V10-K154 VanDerWaalsContact CB-O 3.3Å; V10-K154 WeakPolarHBondContact CB-O 3.42Å; V10-K154 WeakPolarHBondContact CG2-O 3.37Å; V10-K154 CarbonylContact O-C 3.6Å; V10-K154 WeakPolarHBondContact O-CA 3.5Å; V10-K154 WeakPolarHBondContact O-CB 3.44Å
155	R	47.6	Very low	44.4	Very low	53 Å²	53	100.2 Å²	100.2	20%	0.2	57%	0.566	C	S	.	*	P	Polyproline II helix	trans	-88.7	132.4	179.3	173.8	-45.4	176.1	116.4	2.2	114.2	V10 E11 E12 C153 W195 R197	V10-R155 VanDerWaalsContact C-C 3.47Å; V10-R155 HydrophobicContact CB-CB 3.84Å; V10-R155 HydrophobicContact CB-CG 4.33Å; V10-R155 HydrophobicContact CG2-CB 3.79Å; V10-R155 HydrophobicContact CG2-CG 4.35Å; V10-R155 PolarHBondContact O-N 2.61Å; E11-R155 CarbonylContact C-O 3.43Å; E11-R155 WeakPolarHBondContact CA-O 3.37Å; E11-R155 PolarHBondContact N-O 2.76Å; E12-R155 PolarHBondContact N-O 2.78Å; C153-R155 PolarHBondContact O-N 2.71Å; R155-W195 PolarHBondContact NH1-O 3Å; R155-W195 PolarHBondContact NH2-O 2.9Å; R155-R197 PolarHBondContact NH1-O 3.1Å
156	Q	41.9	Very low	43	Very low	69 Å²	69	99.7 Å²	99.7	32%	0.322	56%	0.563	S	S	.	*			trans	-107.3	154.9	170.9	-161.9	141.9	86.2	0	0	111.5	V10 E11 F158	V10-Q156 HydrophobicContact CB-CB 3.61Å; V10-Q156 HydrophobicContact CG1-CB 3.14Å; V10-Q156 HydrophobicContact CG1-CG 4.43Å; E11-Q156 VanDerWaalsContact C-CA 3.49Å; E11-Q156 VanDerWaalsContact N-CA 3.29Å; E11-Q156 VanDerWaalsContact O-CG 3.27Å; E11-Q156 WeakPolarHBondContact O-CG 3.36Å; E11-Q156 PolarHBondContact O-NE2 2.97Å; Q156-F158 HydrophobicContact CG-CE2 4.35Å
157	R	43.2	Very low	41.4	Very low	41 Å²	41	101.5 Å²	101.5	16%	0.155	58%	0.584	C	S	.	*			trans	-173.7	140.6	171.8	171.3	168.3	172.8	-137.3	12.6	105.8	E12 K13 T79 D80 T159	E12-R157 WeakPolarHBondContact CA-O 3.3Å; E12-R157 HydrophobicContact CB-CB 4.23Å; E12-R157 HydrophobicContact CG-CB 3.84Å; E12-R157 HydrophobicContact CG-CG 4.38Å; E12-R157 WeakPolarHBondContact OE1-CD 3.49Å; E12-R157 IonicContact OE1-CZ 3.01Å; E12-R157 IonicContact OE1-NE 3.64Å; E12-R157 IonicContact OE1-NH1 3.25Å; E12-R157 PolarHBondContact OE1-NH1 3.39Å; E12-R157 IonicContact OE2-NH1 3.75Å; K13-R157 PolarHBondContact N-O 3.17Å; T79-R157 VanDerWaalsContact CB-CZ 3.45Å; T79-R157 VanDerWaalsContact CB-NH2 3.32Å; T79-R157 HydrophobicContact CG2-CG 4.08Å; T79-R157 PolarHBondContact OG1-NE 3.22Å; T79-R157 PolarHBondContact OG1-NH2 2.98Å; D80-R157 IonicContact OD1-NH2 2.91Å; D80-R157 PolarHBondContact OD1-NH2 3.27Å; R157-T159 HydrophobicContact CG-CG2 4.15Å
158	F	42.3	Very low	40.1	Very low	73 Å²	73	97.1 Å²	97.1	32%	0.32	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.7	121.7	163.7	-68.6	-80.8	0	0	0	106.9	K13 L18 Q156 S189	K13-F158 HydrophobicContact CB-CE1 4.48Å; K13-F158 WeakPolarHBondContact O-CA 3.44Å; L18-F158 HydrophobicContact CD1-CD1 4.01Å; L18-F158 HydrophobicContact CD1-CE1 3.95Å; L18-F158 HydrophobicContact CD1-CG 4.45Å; L18-F158 HydrophobicContact CD1-CZ 4.34Å; L18-F158 HydrophobicContact CD2-CE1 3.93Å; L18-F158 HydrophobicContact CD2-CZ 4.03Å; L18-F158 HydrophobicContact CG-CD1 4.24Å; L18-F158 HydrophobicContact CG-CE1 3.81Å; L18-F158 HydrophobicContact CG-CZ 4.35Å; Q156-F158 HydrophobicContact CG-CE2 4.35Å; F158-S189 PolarHBondContact O-OG 2.93Å; F158-S189 VanDerWaalsContact O-OG 3.13Å
159	T	44.7	Very low	39.7	Very low	22 Å²	22	97.5 Å²	97.5	14%	0.135	58%	0.58	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.2	152.1	-179.4	57.4	0	0	0	0	110.9	E12 K13 S15 R157 E161	E12-T159 HydrophobicContact CG-CG2 4.08Å; E12-T159 WeakPolarHBondContact OE1-CG2 3.29Å; K13-T159 PolarHBondContact O-N 2.92Å; K13-T159 VanDerWaalsContact O-N 3.17Å; S15-T159 PolarHBondContact N-O 2.95Å; R157-T159 HydrophobicContact CG-CG2 4.15Å; T159-E161 PolarHBondContact OG1-O 3.21Å
160	T	42.8	Very low	38.6	Very low	56 Å²	56	98.7 Å²	98.7	34%	0.344	58%	0.578	S	S	.	*	S	Bend	trans	-80.2	-22.9	165.7	53.8	0	0	0	0	112	H29 E186	H29-T160 WeakPolarHBondContact CE1-CB 2.84Å; H29-T160 WeakPolarHBondContact CE1-CG2 3.27Å; H29-T160 VanDerWaalsContact NE2-CA 3.31Å; H29-T160 WeakPolarHBondContact NE2-CA 3.35Å; T160-E186 PolarHBondContact OG1-OE2 2.83Å
161	E	45.8	Very low	38.2	Very low	149 Å²	149	103.6 Å²	103.6	70%	0.696	58%	0.581	S	S	*	*	S	Bend	trans	-74.2	135.1	179.2	-58.8	-174.6	156.5	0	0	112.6	T159	T159-E161 PolarHBondContact OG1-O 3.21Å
162	E	38.2	Very low	37.5	Very low	182 Å²	182	105 Å²	105	85%	0.85	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-73	144.9	164.8	-72.1	-169.7	169.5	0	0	110.8	A164	E162-A164 PolarHBondContact O-N 2.84Å
163	P	36.8	Very low	37.4	Very low	93 Å²	93	103.7 Å²	103.7	60%	0.604	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-71	129.7	179.8	29.5	-32.5	0	0	0	111	P14	P14-P163 HydrophobicContact CG-CG 3.96Å
164	A	42.2	Very low	36.8	Very low	68 Å²	68	108.4 Å²	108.4	56%	0.562	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-61	141.8	173.8	0	0	0	0	0	111	E162 D166 A167	E162-A164 PolarHBondContact O-N 2.84Å; A164-D166 PolarHBondContact O-N 3.5Å; A164-A167 PolarHBondContact O-N 2.9Å
165	P	34.5	Very low	36.8	Very low	130 Å²	130	109.4 Å²	109.4	84%	0.844	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-11.3	-163.3	-27.6	36.3	0	0	0	118.4
166	D	34.6	Very low	35.7	Very low	160 Å²	160	118.2 Å²	118.2	86%	0.856	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	12	-173.1	-73.6	-56	0	0	0	114.2	A164 A168	A164-D166 PolarHBondContact O-N 3.5Å; D166-A168 PolarHBondContact O-N 3.46Å
167	A	33.2	Very low	35.1	Very low	71 Å²	71	120.3 Å²	120.3	59%	0.587	67%	0.666	S	S	*	*			trans	-77	87.4	-178.2	0	0	0	0	0	113	A164	A164-A167 PolarHBondContact O-N 2.9Å
168	A	27.6	Very low	34.7	Very low	82 Å²	82	130.3 Å²	130.3	68%	0.678	70%	0.704	S	S	*	*			trans	-62.4	153.2	165.2	0	0	0	0	0	111.5	D166 T170	D166-A168 PolarHBondContact O-N 3.46Å; A168-T170 VanDerWaalsContact C-N 3.3Å; A168-T170 PolarHBondContact O-N 2.96Å
169	Q	38.1	Very low	33.9	Very low	193 Å²	193	130.4 Å²	130.4	90%	0.902	73%	0.725	S	S	*	*	S	Bend	trans	-64.9	71.4	-171.2	-66.6	-178.7	-24.4	0	0	115.5
170	T	24.5	Very low	33.2	Very low	113 Å²	113	138.3 Å²	138.3	69%	0.693	76%	0.761	S	S	*	*			trans	-167.2	113.1	158.6	22.2	0	0	0	0	107.8	A168 T172	A168-T170 VanDerWaalsContact C-N 3.3Å; A168-T170 PolarHBondContact O-N 2.96Å; T170-T172 VanDerWaalsContact C-N 3.26Å; T170-T172 PolarHBondContact O-N 2.91Å
171	F	30.3	Very low	32.4	Very low	203 Å²	203	142.9 Å²	142.9	89%	0.89	78%	0.783	S	S	*	*			trans	-75.1	81.7	168.8	-74.3	-79.4	0	0	0	109.9
172	T	23.9	Very low	31.7	Very low	117 Å²	117	142.1 Å²	142.1	72%	0.718	79%	0.791	S	S	*	*			trans	-72.9	130.4	153.8	46.1	0	0	0	0	108	T170 D174	T170-T172 VanDerWaalsContact C-N 3.26Å; T170-T172 PolarHBondContact O-N 2.91Å; T172-D174 PolarHBondContact O-N 2.93Å
173	A	36.7	Very low	31.2	Very low	97 Å²	97	135.7 Å²	135.7	80%	0.802	77%	0.774	S	S	*	*			trans	-61.2	130	177.1	0	0	0	0	0	110.9
174	D	27.2	Very low	31.2	Very low	155 Å²	155	137.5 Å²	137.5	83%	0.829	79%	0.785	S	S	*	*			trans	-151.9	158.2	155.9	-111.2	-29.4	0	0	0	111.8	T172	T172-D174 PolarHBondContact O-N 2.93Å
175	E	35.9	Very low	31.1	Very low	170 Å²	170	140 Å²	140	79%	0.794	79%	0.794	S	S	*	*			trans	-72.3	140.1	-160.1	-52.7	178.6	129.2	0	0	114.8
176	Y	26.3	Very low	31.7	Very low	239 Å²	239	140.1 Å²	140.1	94%	0.937	78%	0.783	S	S	*	*			trans	-129.1	143.5	151.3	-94.8	-80.2	0	0	0	113.7
177	S	27.4	Very low	32.8	Very low	113 Å²	113	137 Å²	137	79%	0.79	77%	0.774	S	S	*	*			trans	-91.9	157	-161.7	-79.4	0	0	0	0	114.7	G179	S177-G179 PolarHBondContact O-N 3.49Å
178	R	35.4	Very low	34.4	Very low	250 Å²	250	134.6 Å²	134.6	94%	0.943	76%	0.755	S	S	*	*			trans	-41.4	127.2	177.3	-67.3	171.7	168.9	174.8	-4.7	115.3
179	G	24.8	Very low	36.8	Very low	75 Å²	75	133 Å²	133	77%	0.773	74%	0.74	S	S	*	*			trans	-109.1	138.6	145.7	0	0	0	0	0	110	S177	S177-G179 PolarHBondContact O-N 3.49Å
180	Q	31.1	Very low	39	Very low	188 Å²	188	127 Å²	127	88%	0.879	72%	0.723	S	S	*	*			trans	-89.5	108.8	-179	-72.5	178	-37.6	0	0	111.6
181	N	25.7	Very low	41.9	Very low	152 Å²	152	122.9 Å²	122.9	81%	0.813	70%	0.696	S	S	*	*			trans	-178.9	132	142.8	-94.8	-22.5	0	0	0	109	G183	N181-G183 VanDerWaalsContact C-N 3.27Å; N181-G183 PolarHBondContact O-N 3.01Å
182	P	31.2	Very low	44.2	Very low	134 Å²	134	114.7 Å²	114.7	87%	0.87	67%	0.669	S	S	*	*			trans	-78.1	83.4	167.7	32.9	-30.7	0	0	0	108.5
183	G	28.7	Very low	46.7	Very low	47 Å²	47	110.4 Å²	110.4	49%	0.485	64%	0.643	S	S	.	*			trans	-62.8	168.2	159.2	0	0	0	0	0	110.5	N181 V185	N181-G183 VanDerWaalsContact C-N 3.27Å; N181-G183 PolarHBondContact O-N 3.01Å; G183-V185 PolarHBondContact O-N 2.78Å; G183-V185 VanDerWaalsContact O-N 3.17Å
184	P	35	Very low	48.6	Very low	130 Å²	130	107.6 Å²	107.6	84%	0.844	62%	0.615	S	S	*	*			trans	-55.2	126.3	167.7	26.3	-32.9	0	0	0	108	E186	P184-E186 PolarHBondContact O-N 3.2Å
185	V	40.3	Very low	51.3	Low	122 Å²	122	100.3 Å²	100.3	74%	0.739	58%	0.576	S	S	*	*			trans	-59.8	115.3	178.8	-179.4	0	0	0	0	107.1	G183 S187	G183-V185 PolarHBondContact O-N 2.78Å; G183-V185 VanDerWaalsContact O-N 3.17Å; V185-S187 PolarHBondContact O-N 2.79Å; V185-S187 VanDerWaalsContact O-N 3.11Å; V185-S187 PolarHBondContact O-OG 2.88Å
186	E	48.4	Very low	53.3	Low	131 Å²	131	93.3 Å²	93.3	61%	0.612	54%	0.543	S	S	*	.			trans	-54.8	121.6	170.4	-68.9	-170.2	-168.6	0	0	107.2	D80 T160 P184	D80-E186 VanDerWaalsContact OD2-O 3.1Å; T160-E186 PolarHBondContact OG1-OE2 2.83Å; P184-E186 PolarHBondContact O-N 3.2Å
187	S	56.5	Low	55.6	Low	96 Å²	96	85.7 Å²	85.7	67%	0.671	51%	0.512	S	S	*	.			trans	-93.9	112.3	-177.7	-60.3	0	0	0	0	109	V185	V185-S187 PolarHBondContact O-N 2.79Å; V185-S187 VanDerWaalsContact O-N 3.11Å; V185-S187 PolarHBondContact O-OG 2.88Å
188	G	67.1	Low	57.8	Low	19 Å²	19	84.4 Å²	84.4	20%	0.196	52%	0.517	C	S	.	.			trans	-64.9	174.2	178.8	0	0	0	0	0	113.8	D78 D80	D78-G188 WeakPolarHBondContact CB-O 2.99Å; D80-G188 VanDerWaalsContact OD2-CA 3.26Å; D80-G188 WeakPolarHBondContact OD2-CA 3.37Å; D80-G188 PolarHBondContact OD2-N 2.83Å
189	S	78.6	Confident	60	Low	50 Å²	50	73.9 Å²	73.9	35%	0.35	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-59.2	143.7	-179.8	-72.9	0	0	0	0	111.8	D78 T79 F158	D78-S189 VanDerWaalsContact CA-O 3.31Å; D78-S189 WeakPolarHBondContact CA-O 3.19Å; T79-S189 WeakPolarHBondContact CG2-O 3.02Å; T79-S189 PolarHBondContact N-O 3.27Å; T79-S189 VanDerWaalsContact N-O 3.08Å; F158-S189 PolarHBondContact O-OG 2.93Å; F158-S189 VanDerWaalsContact O-OG 3.13Å
190	A	84.7	Confident	62.9	Low	66 Å²	66	76.5 Å²	76.5	55%	0.545	47%	0.472	S	S	.	.	B	Isolated β-bridge	trans	-58.6	146.6	172.3	0	0	0	0	0	111.3	R77 G192	R77-A190 WeakPolarHBondContact O-CA 3.47Å; A190-G192 PolarHBondContact O-N 2.89Å
191	L	84.6	Confident	65.8	Low	26 Å²	26	68.1 Å²	68.1	14%	0.136	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-71.4	124	-179.7	-59.7	172.7	0	0	0	110.7	I76 R77 D78 T79 A82 I103 W195	I76-L191 HydrophobicContact CG2-CD1 3.49Å; I76-L191 VanDerWaalsContact CG2-CD1 3.49Å; R77-L191 WeakPolarHBondContact O-CG 3.2Å; R77-L191 PolarHBondContact O-N 2.71Å; D78-L191 WeakPolarHBondContact O-CD2 3.34Å; T79-L191 HydrophobicContact CG2-CD2 3.99Å; A82-L191 HydrophobicContact CB-CD1 4.28Å; A82-L191 HydrophobicContact CB-CD2 4.03Å; I103-L191 HydrophobicContact CD1-CD1 4.45Å; L191-W195 HydrophobicContact CB-CB 3.84Å; L191-W195 HydrophobicContact CB-CG 3.93Å; L191-W195 HydrophobicContact CD1-CD2 3.78Å; L191-W195 HydrophobicContact CD1-CE3 3.9Å; L191-W195 HydrophobicContact CD1-CG 4.02Å; L191-W195 HydrophobicContact CD2-CB 3.93Å; L191-W195 HydrophobicContact CD2-CD2 4.42Å; L191-W195 HydrophobicContact CD2-CE3 4.27Å; L191-W195 HydrophobicContact CD2-CG 4.28Å; L191-W195 HydrophobicContact CG-CB 4.28Å; L191-W195 HydrophobicContact CG-CD2 4.46Å; L191-W195 HydrophobicContact CG-CG 4.27Å
192	G	79.2	Confident	69	Low	31 Å²	31	63.8 Å²	63.8	32%	0.32	41%	0.408	S	S	.	.			trans	-82.7	-167.3	168.5	0	0	0	0	0	112.6	A190 W195	A190-G192 PolarHBondContact O-N 2.89Å; G192-W195 WeakPolarHBondContact O-CB 3.43Å
193	P	76.4	Confident	71.9	Confident	28 Å²	28	57.7 Å²	57.7	18%	0.182	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	161.6	170.1	31.8	-34.2	0	0	0	110.8	F8 W195 W323	F8-P193 HydrophobicContact CD1-CG 4.28Å; F8-P193 HydrophobicContact CE1-CG 3.39Å; F8-P193 VanDerWaalsContact CZ-CD 3.43Å; F8-P193 HydrophobicContact CZ-CG 3.58Å; P193-W195 PolarHBondContact O-N 3.45Å; P193-W323 HydrophobicContact CG-CD2 4.34Å; P193-W323 HydrophobicContact CG-CG 4.38Å
194	D	76.6	Confident	74.9	Confident	37 Å²	37	56.3 Å²	56.3	20%	0.198	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	24.7	177.7	-77.4	-55.5	0	0	0	114.1	H196 R197	D194-H196 PolarHBondContact O-N 2.92Å; D194-H196 IonicContact OD1-NE2 3.31Å; D194-R197 HydrophobicContact CB-CG 3.95Å; D194-R197 VanDerWaalsContact O-CB 3.27Å; D194-R197 WeakPolarHBondContact O-CB 3.27Å; D194-R197 WeakPolarHBondContact O-CG 3.24Å; D194-R197 PolarHBondContact O-N 3.02Å; D194-R197 IonicContact OD1-CZ 2.73Å; D194-R197 IonicContact OD1-NE 3.58Å; D194-R197 PolarHBondContact OD1-NE 2.8Å; D194-R197 IonicContact OD1-NH2 3.81Å; D194-R197 PolarHBondContact OD1-NH2 3Å; D194-R197 IonicContact OD2-CZ 3.41Å; D194-R197 VanDerWaalsContact OD2-CZ 3.22Å; D194-R197 IonicContact OD2-NE 3.49Å; D194-R197 IonicContact OD2-NH1 2.66Å; D194-R197 IonicContact OD2-NH2 3.32Å; D194-R197 PolarHBondContact OD2-NH2 3.29Å
195	W	82.8	Confident	77.1	Confident	3 Å²	3	58.3 Å²	58.3	1%	0.011	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.9	-170.6	69.1	-93.4	0	0	0	114.6	I76 A82 E106 L107 R155 L191 G192 P193 R197 I199 L201	I76-W195 HydrophobicContact CG2-CH2 4.12Å; I76-W195 HydrophobicContact CG2-CZ2 4.42Å; I76-W195 HydrophobicContact CG2-CZ3 4.32Å; A82-W195 HydrophobicContact CB-CE3 3.95Å; A82-W195 HydrophobicContact CB-CZ3 3.86Å; E106-W195 PolarHBondContact OE2-NE1 2.93Å; L107-W195 HydrophobicContact CD2-CH2 3.7Å; L107-W195 HydrophobicContact CD2-CZ2 4.01Å; L107-W195 HydrophobicContact CG-CH2 4.36Å; L107-W195 HydrophobicContact CG-CZ2 4.18Å; R155-W195 PolarHBondContact NH1-O 3Å; R155-W195 PolarHBondContact NH2-O 2.9Å; L191-W195 HydrophobicContact CB-CB 3.84Å; L191-W195 HydrophobicContact CB-CG 3.93Å; L191-W195 HydrophobicContact CD1-CD2 3.78Å; L191-W195 HydrophobicContact CD1-CE3 3.9Å; L191-W195 HydrophobicContact CD1-CG 4.02Å; L191-W195 HydrophobicContact CD2-CB 3.93Å; L191-W195 HydrophobicContact CD2-CD2 4.42Å; L191-W195 HydrophobicContact CD2-CE3 4.27Å; L191-W195 HydrophobicContact CD2-CG 4.28Å; L191-W195 HydrophobicContact CG-CB 4.28Å; L191-W195 HydrophobicContact CG-CD2 4.46Å; L191-W195 HydrophobicContact CG-CG 4.27Å; G192-W195 WeakPolarHBondContact O-CB 3.43Å; P193-W195 PolarHBondContact O-N 3.45Å; W195-R197 VanDerWaalsContact C-N 3.32Å; W195-I199 HydrophobicContact CE3-CD1 3.97Å; W195-I199 HydrophobicContact CZ3-CD1 4.15Å; W195-I199 VanDerWaalsContact O-CD1 3.29Å; W195-I199 WeakPolarHBondContact O-CD1 3.47Å; W195-L201 HydrophobicContact CH2-CD1 4.37Å
196	H	79.4	Confident	78.9	Confident	23 Å²	23	61.8 Å²	61.8	11%	0.106	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-20.3	172.3	59.6	96.1	0	0	0	112.5	E110 D194 G198 I199 L201	E110-H196 VanDerWaalsContact CD-CE1 3.44Å; E110-H196 VanDerWaalsContact CD-ND1 3.35Å; E110-H196 HydrophobicContact CG-CB 4.37Å; E110-H196 WeakPolarHBondContact CG-ND1 3.45Å; E110-H196 IonicContact OE1-CE1 2.75Å; E110-H196 PolarHBondContact OE1-CE1 2.85Å; E110-H196 VanDerWaalsContact OE1-CE1 3.25Å; E110-H196 IonicContact OE1-ND1 2.72Å; E110-H196 IonicContact OE2-ND1 2.91Å; D194-H196 PolarHBondContact O-N 2.92Å; D194-H196 IonicContact OD1-NE2 3.31Å; H196-G198 PolarHBondContact O-N 3.23Å; H196-I199 PolarHBondContact O-N 3.06Å; H196-L201 HydrophobicContact CB-CD1 3.7Å
197	R	74.3	Confident	80.4	Confident	78 Å²	78	56.5 Å²	56.5	29%	0.294	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	123.3	176.7	-61.9	-168.5	-166.7	178.9	11.4	110	C153 R155 D194 W195	C153-R197 VanDerWaalsContact CB-NH1 3.32Å; C153-R197 PolarHBondContact SG-NH1 3.08Å; R155-R197 PolarHBondContact NH1-O 3.1Å; D194-R197 HydrophobicContact CB-CG 3.95Å; D194-R197 VanDerWaalsContact O-CB 3.27Å; D194-R197 WeakPolarHBondContact O-CB 3.27Å; D194-R197 WeakPolarHBondContact O-CG 3.24Å; D194-R197 PolarHBondContact O-N 3.02Å; D194-R197 IonicContact OD1-CZ 2.73Å; D194-R197 IonicContact OD1-NE 3.58Å; D194-R197 PolarHBondContact OD1-NE 2.8Å; D194-R197 IonicContact OD1-NH2 3.81Å; D194-R197 PolarHBondContact OD1-NH2 3Å; D194-R197 IonicContact OD2-CZ 3.41Å; D194-R197 VanDerWaalsContact OD2-CZ 3.22Å; D194-R197 IonicContact OD2-NE 3.49Å; D194-R197 IonicContact OD2-NH1 2.66Å; D194-R197 IonicContact OD2-NH2 3.32Å; D194-R197 PolarHBondContact OD2-NH2 3.29Å; W195-R197 VanDerWaalsContact C-N 3.32Å
198	G	72.8	Confident	81.6	Confident	87 Å²	87	56.4 Å²	56.4	90%	0.897	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-1.9	-173.4	0	0	0	0	0	114.8	H196	H196-G198 PolarHBondContact O-N 3.23Å
199	I	81.3	Confident	82.6	Confident	29 Å²	29	58.5 Å²	58.5	15%	0.149	34%	0.339	C	S	.	.	S	Bend	trans	-111.1	130.6	177.3	-51.4	-174.1	0	0	0	109.2	A82 Q86 W195 H196 L201	A82-I199 HydrophobicContact CB-CD1 3.8Å; Q86-I199 HydrophobicContact CB-CG2 3.65Å; Q86-I199 HydrophobicContact CG-CG2 3.77Å; W195-I199 HydrophobicContact CE3-CD1 3.97Å; W195-I199 HydrophobicContact CZ3-CD1 4.15Å; W195-I199 VanDerWaalsContact O-CD1 3.29Å; W195-I199 WeakPolarHBondContact O-CD1 3.47Å; H196-I199 PolarHBondContact O-N 3.06Å; I199-L201 HydrophobicContact CB-CD2 4.25Å; I199-L201 HydrophobicContact CG2-CD2 3.58Å; I199-L201 HydrophobicContact CG2-CG 4.35Å; I199-L201 PolarHBondContact O-N 2.92Å
200	E	86.8	Confident	83.2	Confident	130 Å²	130	63.2 Å²	63.2	61%	0.607	35%	0.349	S	S	*	.			trans	-78.8	86.1	177.6	-61.7	-162.4	142.2	0	0	111.4	Q202	E200-Q202 PolarHBondContact O-N 3.32Å
201	L	91.4	Very high	83.7	Confident	11 Å²	11	61.6 Å²	61.6	6%	0.058	33%	0.332	C	S	.	.			trans	-77.2	58.7	177.1	-58.7	-168.3	0	0	0	112.4	F85 L89 E110 R112 W195 H196 I199	F85-L201 HydrophobicContact CD1-CD2 3.78Å; F85-L201 HydrophobicContact CE1-CD1 4.46Å; F85-L201 HydrophobicContact CE1-CD2 3.72Å; L89-L201 VanDerWaalsContact CD2-C 3.49Å; L89-L201 HydrophobicContact CD2-CB 4.12Å; L89-L201 HydrophobicContact CD2-CD2 4.39Å; E110-L201 HydrophobicContact CB-CD1 3.94Å; R112-L201 PolarHBondContact N-O 2.84Å; W195-L201 HydrophobicContact CH2-CD1 4.37Å; H196-L201 HydrophobicContact CB-CD1 3.7Å; I199-L201 HydrophobicContact CB-CD2 4.25Å; I199-L201 HydrophobicContact CG2-CD2 3.58Å; I199-L201 HydrophobicContact CG2-CG 4.35Å; I199-L201 PolarHBondContact O-N 2.92Å
202	Q	92.7	Very high	84.2	Confident	62 Å²	62	61.6 Å²	61.6	29%	0.29	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-113.6	132.4	178.2	-56.1	-167.7	51.5	0	0	111	L89 S90 R112 R113 E200	L89-Q202 CarbonylContact C-O 3.52Å; S90-Q202 WeakPolarHBondContact CA-O 3.46Å; S90-Q202 PolarHBondContact N-O 3.41Å; R112-Q202 HydrophobicContact CB-CG 4.36Å; R112-Q202 CarbonylContact O-C 3.56Å; R112-Q202 WeakPolarHBondContact O-CA 3.37Å; R113-Q202 VanDerWaalsContact NH1-OE1 3.1Å; E200-Q202 PolarHBondContact O-N 3.32Å
203	G	92.3	Very high	85	Confident	6 Å²	6	61.5 Å²	61.5	6%	0.062	33%	0.328	C	S	.	.			trans	-80.3	-172.5	167	0	0	0	0	0	113.5	L89 R112 R113	L89-G203 VanDerWaalsContact O-CA 3.27Å; L89-G203 WeakPolarHBondContact O-CA 3.25Å; R112-G203 PolarHBondContact O-N 3.4Å; R113-G203 CarbonylContact O-C 3.35Å; R113-G203 VanDerWaalsContact O-C 3.26Å; R113-G203 WeakPolarHBondContact O-CA 3.41Å
204	A	90.9	Very high	86	Confident	18 Å²	18	62.2 Å²	62.2	15%	0.149	33%	0.329	C	S	.	.			trans	-55.7	140.8	-175.5	0	0	0	0	0	112.9	A92 K93 R113 Q206 A207	A92-A204 PolarHBondContact O-N 3.34Å; K93-A204 HydrophobicContact CG-CB 4.23Å; R113-A204 PolarHBondContact O-N 2.81Å; A204-Q206 PolarHBondContact O-N 3.29Å; A204-A207 PolarHBondContact O-N 2.9Å
205	E	81.3	Confident	87	Confident	172 Å²	172	64.3 Å²	64.3	80%	0.804	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-30.5	-170.2	-65	-169.8	137.8	0	0	116
206	Q	78.5	Confident	87.6	Confident	195 Å²	195	70.1 Å²	70.1	91%	0.911	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-2.3	-177.7	-63.6	-172.5	-6.3	0	0	114.3	A204	A204-Q206 PolarHBondContact O-N 3.29Å
207	A	80.7	Confident	88.4	Confident	19 Å²	19	69.1 Å²	69.1	16%	0.157	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-85.1	133.3	178.5	0	0	0	0	0	111	K93 R113 A204	K93-A207 HydrophobicContact CB-CB 4.43Å; R113-A207 CarbonylContact C-O 3.54Å; R113-A207 VanDerWaalsContact CA-O 3.24Å; R113-A207 WeakPolarHBondContact CA-O 3.48Å; R113-A207 WeakPolarHBondContact CB-O 3.32Å; R113-A207 VanDerWaalsContact O-CB 3.25Å; R113-A207 WeakPolarHBondContact O-CB 3.1Å; A204-A207 PolarHBondContact O-N 2.9Å
208	S	82.3	Confident	89.5	Confident	94 Å²	94	70.9 Å²	70.9	66%	0.657	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-74.8	152.9	168.7	49.2	0	0	0	0	110.3	C114	C114-S208 CarbonylContact C-O 3.56Å; C114-S208 PolarHBondContact N-O 3.45Å
209	R	88.1	Confident	90.6	Very high	64 Å²	64	68.2 Å²	68.2	24%	0.242	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-77	128.1	167.1	-177.1	178.2	174.3	-87.8	-10.9	108.7	V108 V111 C114 L142	V108-R209 PolarHBondContact O-NH2 2.87Å; V111-R209 VanDerWaalsContact O-CD 3.27Å; V111-R209 WeakPolarHBondContact O-CD 3.32Å; V111-R209 PolarHBondContact O-NE 3.45Å; V111-R209 VanDerWaalsContact O-NE 3.08Å; C114-R209 WeakPolarHBondContact O-CA 3.47Å; L142-R209 PolarHBondContact O-NH1 2.92Å; L142-R209 PolarHBondContact O-NH2 2.85Å
210	R	90.8	Very high	91.3	Very high	148 Å²	148	71.3 Å²	71.3	56%	0.558	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.7	137.4	169.6	-178.4	176.5	179.6	-145.1	5.6	108.4	C114 E115 V116	C114-R210 PolarHBondContact O-N 3.09Å; E115-R210 CarbonylContact C-O 3.6Å; E115-R210 WeakPolarHBondContact CA-O 3.26Å; E115-R210 HydrophobicContact CG-CB 4.3Å; E115-R210 WeakPolarHBondContact OE1-CD 3.48Å; E115-R210 IonicContact OE1-CZ 2.67Å; E115-R210 IonicContact OE1-NE 3.64Å; E115-R210 IonicContact OE1-NH1 3.87Å; E115-R210 PolarHBondContact OE1-NH1 3.49Å; V116-R210 PolarHBondContact N-O 3.49Å
211	V	94.5	Very high	91.6	Very high	32 Å²	32	69.7 Å²	69.7	19%	0.194	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129	172.4	-172.2	0	0	0	0	108	V108 V116 L142	V108-V211 HydrophobicContact CB-CG1 4.45Å; V116-V211 HydrophobicContact CB-CG1 4.46Å; V116-V211 HydrophobicContact CB-CG2 4.31Å; V116-V211 WeakPolarHBondContact O-CA 3.42Å; L142-V211 HydrophobicContact CD1-CG1 4.36Å; L142-V211 HydrophobicContact CD2-CG1 4.26Å; L142-V211 HydrophobicContact CD2-CG2 4.36Å
212	S	94.9	Very high	91.7	Very high	26 Å²	26	70.5 Å²	70.5	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.6	166.9	59.2	0	0	0	0	109	V116 W118	V116-S212 PolarHBondContact O-N 3.27Å; W118-S212 PolarHBondContact N-O 3.31Å
213	V	96.3	Very high	91.7	Very high	30 Å²	30	69.4 Å²	69.4	18%	0.182	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.4	-179.6	-168.8	0	0	0	0	108.9	W118 V120 I125 L142 Y215	W118-V213 HydrophobicContact CB-CG2 4.45Å; W118-V213 HydrophobicContact CD2-CG1 4.4Å; W118-V213 HydrophobicContact CE3-CG1 4.21Å; W118-V213 HydrophobicContact CE3-CG2 3.77Å; W118-V213 CarbonylContact O-C 3.6Å; W118-V213 WeakPolarHBondContact O-CA 3.35Å; V120-V213 HydrophobicContact CG2-CG1 4.05Å; I125-V213 HydrophobicContact CG2-CG1 3.89Å; L142-V213 HydrophobicContact CD1-CG2 4.41Å; V213-Y215 HydrophobicContact CB-CD2 4.32Å; V213-Y215 HydrophobicContact CB-CE2 3.69Å; V213-Y215 HydrophobicContact CG1-CD1 4.2Å; V213-Y215 HydrophobicContact CG1-CD2 4.07Å; V213-Y215 HydrophobicContact CG1-CE1 3.78Å; V213-Y215 HydrophobicContact CG1-CE2 3.63Å; V213-Y215 HydrophobicContact CG1-CG 4.35Å; V213-Y215 VanDerWaalsContact CG1-CZ 3.47Å
214	E	97.4	Very high	91.7	Very high	43 Å²	43	71.4 Å²	71.4	20%	0.201	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	113.4	173.5	-61.1	-56.5	139.5	0	0	107.6	I117 W118 V120 C217 L249 N251 F255	I117-E214 HydrophobicContact CG2-CG 4.03Å; W118-E214 PolarHBondContact O-N 3.26Å; V120-E214 WeakPolarHBondContact CG2-O 3.42Å; V120-E214 PolarHBondContact N-O 2.96Å; E214-C217 VanDerWaalsContact CB-SG 3.6Å; E214-C217 PolarHBondContact O-SG 3.07Å; E214-L249 HydrophobicContact CB-CD1 3.94Å; E214-L249 HydrophobicContact CG-CD1 4.01Å; E214-N251 PolarHBondContact OE2-ND2 3.38Å; E214-F255 HydrophobicContact CG-CE2 3.83Å; E214-F255 HydrophobicContact CG-CZ 3.92Å
215	Y	96.9	Very high	91.6	Very high	80 Å²	80	71.8 Å²	71.8	31%	0.314	35%	0.353	S	S	.	.			trans	-96.7	155.5	-176.1	-67.7	-84.9	0	0	0	112.1	V120 I125 V213 C217	V120-Y215 HydrophobicContact CG2-CD1 3.53Å; V120-Y215 HydrophobicContact CG2-CE1 4.03Å; V120-Y215 HydrophobicContact CG2-CG 4.2Å; V120-Y215 CarbonylContact O-C 3.51Å; I125-Y215 HydrophobicContact CG2-CE1 3.84Å; V213-Y215 HydrophobicContact CB-CD2 4.32Å; V213-Y215 HydrophobicContact CB-CE2 3.69Å; V213-Y215 HydrophobicContact CG1-CD1 4.2Å; V213-Y215 HydrophobicContact CG1-CD2 4.07Å; V213-Y215 HydrophobicContact CG1-CE1 3.78Å; V213-Y215 HydrophobicContact CG1-CE2 3.63Å; V213-Y215 HydrophobicContact CG1-CG 4.35Å; V213-Y215 VanDerWaalsContact CG1-CZ 3.47Å; Y215-C217 PolarHBondContact O-N 3.05Å
216	Q	96.8	Very high	91.9	Very high	125 Å²	125	71 Å²	71	58%	0.584	35%	0.349	S	S	*	.	S	Bend	trans	54.1	32.1	177.1	-55.6	-168.4	-117.4	0	0	114.3	V120 D122 K123	V120-Q216 PolarHBondContact O-N 3.06Å; D122-Q216 PolarHBondContact O-N 2.92Å; K123-Q216 HydrophobicContact CG-CG 3.91Å
217	C	96.3	Very high	92.5	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.014	33%	0.328	C	S	.	.			trans	-124.7	149	-178.3	65	0	0	0	0	112.2	V120 K121 E214 Y215 L249 N251	V120-C217 CarbonylContact C-O 3.57Å; V120-C217 PolarHBondContact O-N 2.69Å; V120-C217 VanDerWaalsContact O-N 3.09Å; K121-C217 VanDerWaalsContact CA-O 3.31Å; K121-C217 WeakPolarHBondContact CA-O 3.23Å; K121-C217 PolarHBondContact N-O 3.4Å; E214-C217 VanDerWaalsContact CB-SG 3.6Å; E214-C217 PolarHBondContact O-SG 3.07Å; Y215-C217 PolarHBondContact O-N 3.05Å; C217-L249 HydrophobicContact CB-CB 4.25Å; C217-L249 HydrophobicContact CB-CD1 4.4Å; C217-N251 HydrophobicContact CB-CB 4.11Å
218	E	96.7	Very high	92.7	Very high	115 Å²	115	67.1 Å²	67.1	54%	0.537	33%	0.327	S	S	.	.			trans	-120	163.2	168.8	-63.9	-172.2	-177.1	0	0	109	K121 E220 L249 T250	K121-E218 HydrophobicContact CB-CG 3.87Å; E218-E220 PolarHBondContact O-N 2.8Å; E218-L249 CarbonylContact O-C 3.59Å; E218-L249 VanDerWaalsContact O-CA 3.31Å; E218-L249 WeakPolarHBondContact O-CA 3.48Å; E218-T250 HydrophobicContact CB-CG2 4.18Å; E218-T250 PolarHBondContact N-OG1 3.16Å; E218-T250 PolarHBondContact O-N 2.94Å
219	V	96.5	Very high	92.8	Very high	32 Å²	32	67.8 Å²	67.8	19%	0.194	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	118.1	172.5	173.5	0	0	0	0	108.6	L66 V98 I222 V247 L249	L66-V219 HydrophobicContact CD1-CG2 4.09Å; V98-V219 HydrophobicContact CB-CG2 4.46Å; V98-V219 HydrophobicContact CG1-CG2 3.85Å; V98-V219 HydrophobicContact CG2-CG2 3.76Å; V219-I222 HydrophobicContact CG1-CD1 4.11Å; V219-I222 HydrophobicContact CG1-CG1 3.6Å; V219-V247 HydrophobicContact CB-CG1 4.42Å; V219-V247 HydrophobicContact CG1-CG1 3.91Å; V219-V247 HydrophobicContact CG2-CG1 3.75Å; V219-L249 HydrophobicContact CG2-CD2 3.9Å
220	E	94.7	Very high	92.4	Very high	94 Å²	94	71.4 Å²	71.4	44%	0.439	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-49.4	176.2	-169.2	175.4	-150.9	0	0	110.1	E218 Q248 T250	E218-E220 PolarHBondContact O-N 2.8Å; E220-Q248 HydrophobicContact CB-CG 4.38Å; E220-Q248 PolarHBondContact N-O 3.09Å; E220-Q248 PolarHBondContact OE2-NE2 3.02Å; E220-T250 HydrophobicContact CB-CG2 4.01Å
221	H	93.4	Very high	91.5	Very high	96 Å²	96	66.9 Å²	66.9	44%	0.444	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.1	179.8	-64.5	-53	0	0	0	112.4	F223 Q248	H221-F223 HydrophobicContact CB-CD2 4.28Å; H221-F223 HydrophobicContact CB-CE1 4.05Å; H221-F223 HydrophobicContact CB-CE2 3.53Å; H221-F223 HydrophobicContact CB-CZ 3.4Å; H221-F223 AromaticContact CD2-CZ 3.98Å; H221-F223 AromaticContact CG-CZ 3.84Å; H221-Q248 HydrophobicContact CB-CB 4.25Å; H221-Q248 PolarHBondContact N-O 2.76Å; H221-Q248 PolarHBondContact O-N 3.24Å
222	I	94.4	Very high	89.8	Confident	27 Å²	27	68.5 Å²	68.5	14%	0.138	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118.2	170.2	-56.7	179.9	0	0	0	106.5	L66 V73 V219 V245 Y246	L66-I222 HydrophobicContact CB-CD1 4.41Å; L66-I222 HydrophobicContact CD1-CD1 4.28Å; V73-I222 HydrophobicContact CG2-CD1 3.72Å; V219-I222 HydrophobicContact CG1-CD1 4.11Å; V219-I222 HydrophobicContact CG1-CG1 3.6Å; I222-V245 HydrophobicContact CG2-CG2 3.41Å; I222-V245 VanDerWaalsContact CG2-CG2 3.41Å; I222-Y246 WeakPolarHBondContact CA-O 3.45Å
223	F	92.1	Very high	87.8	Confident	40 Å²	40	76.4 Å²	76.4	18%	0.175	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.2	-179.1	-55	-76.8	0	0	0	110.5	H221 E227 F228 V245 Y246 Q248	H221-F223 HydrophobicContact CB-CD2 4.28Å; H221-F223 HydrophobicContact CB-CE1 4.05Å; H221-F223 HydrophobicContact CB-CE2 3.53Å; H221-F223 HydrophobicContact CB-CZ 3.4Å; H221-F223 AromaticContact CD2-CZ 3.98Å; H221-F223 AromaticContact CG-CZ 3.84Å; F223-E227 HydrophobicContact CB-CB 4.23Å; F223-E227 HydrophobicContact CD1-CB 4.27Å; F223-F228 HydrophobicContact CB-CB 4.01Å; F223-F228 HydrophobicContact CD2-CD2 4.07Å; F223-F228 HydrophobicContact CG-CD2 4.47Å; F223-V245 CarbonylContact O-C 3.59Å; F223-V245 WeakPolarHBondContact O-CA 3.33Å; F223-V245 WeakPolarHBondContact O-CG2 3.49Å; F223-Y246 PolarHBondContact N-O 3.09Å; F223-Y246 PolarHBondContact O-N 2.82Å; F223-Q248 HydrophobicContact CE2-CB 4.03Å
224	T	92	Very high	85.6	Confident	47 Å²	47	83.5 Å²	83.5	29%	0.288	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	163.1	159	61.1	0	0	0	0	110.6	E226 E227 F228	T224-E226 PolarHBondContact O-N 2.95Å; T224-E227 WeakPolarHBondContact CB-OE2 3.43Å; T224-E227 WeakPolarHBondContact CG2-OE2 3.42Å; T224-E227 PolarHBondContact N-OE2 2.92Å; T224-E227 PolarHBondContact O-N 2.83Å; T224-E227 VanDerWaalsContact OG1-CD 3.24Å; T224-E227 VanDerWaalsContact OG1-CG 3.29Å; T224-E227 WeakPolarHBondContact OG1-CG 3.28Å; T224-E227 PolarHBondContact OG1-N 2.94Å; T224-E227 PolarHBondContact OG1-OE2 2.95Å; T224-F228 WeakPolarHBondContact O-CB 3.45Å; T224-F228 PolarHBondContact O-N 3.01Å
225	S	89.3	Confident	83.1	Confident	27 Å²	27	87 Å²	87	19%	0.189	44%	0.437	C	S	.	.	H	α-helix	trans	-53	-36.6	174.5	-153.6	0	0	0	0	113.3	L229 W243 P244	S225-L229 WeakPolarHBondContact O-CD1 3.39Å; S225-L229 VanDerWaalsContact O-CG 3.26Å; S225-L229 WeakPolarHBondContact O-CG 3.44Å; S225-L229 PolarHBondContact O-N 3.41Å; S225-W243 VanDerWaalsContact CB-O 3.23Å; S225-W243 WeakPolarHBondContact CB-O 3.41Å; S225-W243 PolarHBondContact OG-O 2.8Å; S225-P244 PolarHBondContact N-O 2.93Å
226	E	87.6	Confident	81	Confident	154 Å²	154	88.9 Å²	88.9	72%	0.72	46%	0.459	S	S	*	.	H	α-helix	trans	-73.1	-49.2	-178.8	-62.4	-177.6	177.4	0	0	111.5	T224 F228 L229 D230	T224-E226 PolarHBondContact O-N 2.95Å; E226-F228 VanDerWaalsContact C-N 3.27Å; E226-F228 PolarHBondContact O-N 2.92Å; E226-L229 PolarHBondContact O-N 3.32Å; E226-D230 PolarHBondContact O-N 3.27Å
227	E	89.8	Confident	79.1	Confident	104 Å²	104	92 Å²	92	49%	0.486	47%	0.471	S	S	.	.	H	α-helix	trans	-60.5	-36.4	176.7	-67.6	162.3	139.1	0	0	112.2	F223 T224 S231	F223-E227 HydrophobicContact CB-CB 4.23Å; F223-E227 HydrophobicContact CD1-CB 4.27Å; T224-E227 WeakPolarHBondContact CB-OE2 3.43Å; T224-E227 WeakPolarHBondContact CG2-OE2 3.42Å; T224-E227 PolarHBondContact N-OE2 2.92Å; T224-E227 PolarHBondContact O-N 2.83Å; T224-E227 VanDerWaalsContact OG1-CD 3.24Å; T224-E227 VanDerWaalsContact OG1-CG 3.29Å; T224-E227 WeakPolarHBondContact OG1-CG 3.28Å; T224-E227 PolarHBondContact OG1-N 2.94Å; T224-E227 PolarHBondContact OG1-OE2 2.95Å; E227-S231 VanDerWaalsContact O-CB 3.32Å; E227-S231 WeakPolarHBondContact O-CB 3.47Å; E227-S231 PolarHBondContact O-N 2.86Å; E227-S231 PolarHBondContact O-OG 2.71Å
228	F	86.2	Confident	77	Confident	30 Å²	30	94.7 Å²	94.7	13%	0.132	49%	0.488	C	S	.	.	H	α-helix	trans	-68.3	-39.7	177.1	-170.3	-104.4	0	0	0	112.3	F223 T224 E226 S231 S232 P238 Y246 T254	F223-F228 HydrophobicContact CB-CB 4.01Å; F223-F228 HydrophobicContact CD2-CD2 4.07Å; F223-F228 HydrophobicContact CG-CD2 4.47Å; T224-F228 WeakPolarHBondContact O-CB 3.45Å; T224-F228 PolarHBondContact O-N 3.01Å; E226-F228 VanDerWaalsContact C-N 3.27Å; E226-F228 PolarHBondContact O-N 2.92Å; F228-S231 WeakPolarHBondContact CA-OG 3.22Å; F228-S231 PolarHBondContact O-OG 2.9Å; F228-S231 VanDerWaalsContact O-OG 3.08Å; F228-S232 PolarHBondContact O-N 3.39Å; F228-S232 VanDerWaalsContact O-N 3.17Å; F228-P238 HydrophobicContact CE1-CB 3.73Å; F228-P238 HydrophobicContact CE1-CG 4.13Å; F228-P238 HydrophobicContact CZ-CB 3.91Å; F228-P238 HydrophobicContact CZ-CG 4.47Å; F228-Y246 HydrophobicContact CB-CD2 3.54Å; F228-Y246 HydrophobicContact CB-CE2 4.08Å; F228-Y246 HydrophobicContact CB-CG 3.99Å; F228-Y246 AromaticContact CD1-CD1 3.69Å; F228-Y246 HydrophobicContact CD1-CD1 3.69Å; F228-Y246 AromaticContact CD1-CD2 3.65Å; F228-Y246 HydrophobicContact CD1-CD2 3.65Å; F228-Y246 AromaticContact CD1-CE1 3.74Å; F228-Y246 HydrophobicContact CD1-CE1 3.74Å; F228-Y246 AromaticContact CD1-CE2 3.69Å; F228-Y246 HydrophobicContact CD1-CE2 3.69Å; F228-Y246 AromaticContact CD1-CG 3.66Å; F228-Y246 HydrophobicContact CD1-CG 3.66Å; F228-Y246 AromaticContact CD1-CZ 3.75Å; F228-Y246 HydrophobicContact CD2-CD1 4.31Å; F228-Y246 HydrophobicContact CD2-CD2 4.33Å; F228-Y246 AromaticContact CD2-CG 3.9Å; F228-Y246 HydrophobicContact CD2-CG 3.9Å; F228-Y246 AromaticContact CE1-CD1 3.71Å; F228-Y246 HydrophobicContact CE1-CD1 3.71Å; F228-Y246 HydrophobicContact CE1-CD2 4.49Å; F228-Y246 AromaticContact CE1-CE1 3.73Å; F228-Y246 HydrophobicContact CE1-CE1 3.73Å; F228-Y246 HydrophobicContact CE1-CE2 4.5Å; F228-Y246 HydrophobicContact CE1-CG 4.13Å; F228-Y246 HydrophobicContact CE2-CD1 4.34Å; F228-Y246 HydrophobicContact CE2-CG 4.35Å; F228-Y246 HydrophobicContact CG-CD1 4.01Å; F228-Y246 AromaticContact CG-CD2 3.55Å; F228-Y246 HydrophobicContact CG-CD2 3.55Å; F228-Y246 HydrophobicContact CG-CE1 4.47Å; F228-Y246 HydrophobicContact CG-CE2 4.06Å; F228-Y246 AromaticContact CG-CG 3.54Å; F228-Y246 HydrophobicContact CG-CG 3.54Å; F228-Y246 HydrophobicContact CZ-CD1 4.05Å; F228-Y246 HydrophobicContact CZ-CE1 4.44Å; F228-Y246 HydrophobicContact CZ-CG 4.45Å; F228-T254 HydrophobicContact CE2-CG2 3.8Å; F228-T254 HydrophobicContact CZ-CG2 4.18Å
229	L	83.2	Confident	75.2	Confident	108 Å²	108	92.1 Å²	92.1	57%	0.565	48%	0.478	S	S	*	.	H	α-helix	trans	-66.8	-40	175.7	-72.4	169.6	0	0	0	112	S225 E226 S232	S225-L229 WeakPolarHBondContact O-CD1 3.39Å; S225-L229 VanDerWaalsContact O-CG 3.26Å; S225-L229 WeakPolarHBondContact O-CG 3.44Å; S225-L229 PolarHBondContact O-N 3.41Å; E226-L229 PolarHBondContact O-N 3.32Å; L229-S232 WeakPolarHBondContact O-CB 3.44Å; L229-S232 PolarHBondContact O-N 2.78Å; L229-S232 PolarHBondContact O-OG 3.25Å
230	D	81.2	Confident	73.3	Confident	139 Å²	139	96.8 Å²	96.8	74%	0.743	51%	0.512	S	S	*	.	H	α-helix	trans	-70.7	-33.4	178.1	-85.2	-13.7	0	0	0	113.3	E226	E226-D230 PolarHBondContact O-N 3.27Å
231	S	70.6	Confident	72	Confident	54 Å²	54	93.7 Å²	93.7	38%	0.378	51%	0.505	S	S	.	.	H	α-helix	trans	-78.2	-16.3	177.2	55.2	0	0	0	0	114.3	E227 F228 K233 Q234	E227-S231 VanDerWaalsContact O-CB 3.32Å; E227-S231 WeakPolarHBondContact O-CB 3.47Å; E227-S231 PolarHBondContact O-N 2.86Å; E227-S231 PolarHBondContact O-OG 2.71Å; F228-S231 WeakPolarHBondContact CA-OG 3.22Å; F228-S231 PolarHBondContact O-OG 2.9Å; F228-S231 VanDerWaalsContact O-OG 3.08Å; S231-K233 PolarHBondContact O-N 3.38Å; S231-Q234 PolarHBondContact O-N 3.19Å
232	S	60.1	Low	71.7	Confident	65 Å²	65	94.4 Å²	94.4	46%	0.455	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	5.8	-176.3	72.9	0	0	0	0	117.5	F228 L229 Q234	F228-S232 PolarHBondContact O-N 3.39Å; F228-S232 VanDerWaalsContact O-N 3.17Å; L229-S232 WeakPolarHBondContact O-CB 3.44Å; L229-S232 PolarHBondContact O-N 2.78Å; L229-S232 PolarHBondContact O-OG 3.25Å; S232-Q234 PolarHBondContact O-N 3.45Å
233	K	53.4	Low	71.7	Confident	192 Å²	192	94.4 Å²	94.4	84%	0.835	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-5	168.9	-71.1	177.2	-177	161.8	0	113.9	S231	S231-K233 PolarHBondContact O-N 3.38Å
234	Q	48.1	Very low	71.8	Confident	179 Å²	179	94.9 Å²	94.9	84%	0.836	53%	0.527	S	S	*	.	S	Bend	trans	-127.9	132.3	169.4	-58.7	-175.8	23.2	0	0	108.3	S231 S232	S231-Q234 PolarHBondContact O-N 3.19Å; S232-Q234 PolarHBondContact O-N 3.45Å
235	T	46.8	Very low	72	Confident	117 Å²	117	92.6 Å²	92.6	72%	0.718	51%	0.513	S	S	*	.			trans	-123.2	152	-165.8	2.9	0	0	0	0	110.6
236	P	51.3	Low	72.2	Confident	119 Å²	119	91.9 Å²	91.9	77%	0.773	51%	0.506	S	S	*	.	S	Bend		-123.5	150.7	68.9	8	14.4	0	0	0	116.2
237	K	57	Low	72.6	Confident	192 Å²	192	84.6 Å²	84.6	84%	0.835	47%	0.472	S	S	*	.			trans	11.9	100.4	165.1	-67.7	-177.7	178.5	178.5	0	117.5
238	P	53.7	Low	72.9	Confident	58 Å²	58	82.1 Å²	82.1	38%	0.377	46%	0.46	S	S	.	.			trans	-62.3	149.6	158.8	28	-33.2	0	0	0	110.5	F228 S240	F228-P238 HydrophobicContact CE1-CB 3.73Å; F228-P238 HydrophobicContact CE1-CG 4.13Å; F228-P238 HydrophobicContact CZ-CB 3.91Å; F228-P238 HydrophobicContact CZ-CG 4.47Å; P238-S240 PolarHBondContact O-N 3.48Å
239	D	58.1	Low	73.4	Confident	61 Å²	61	80.7 Å²	80.7	33%	0.326	45%	0.454	S	S	.	.			trans	-46.4	124.6	154.6	173.7	72.9	0	0	0	108.9	R94 G241 W243	R94-D239 IonicContact CZ-OD2 2.67Å; R94-D239 IonicContact NH1-OD1 3.61Å; R94-D239 IonicContact NH1-OD2 2.93Å; R94-D239 PolarHBondContact NH1-OD2 2.84Å; R94-D239 IonicContact NH2-OD1 3.97Å; R94-D239 PolarHBondContact NH2-OD1 2.83Å; R94-D239 IonicContact NH2-OD2 3.24Å; R94-D239 PolarHBondContact NH2-OD2 2.8Å; D239-G241 PolarHBondContact O-N 3Å; D239-W243 PolarHBondContact OD2-NE1 2.88Å
240	S	56.8	Low	74	Confident	129 Å²	129	79.2 Å²	79.2	90%	0.902	45%	0.45	S	S	*	.	S	Bend	trans	-74.1	15.8	-160.5	56.9	0	0	0	0	115.3	P238	P238-S240 PolarHBondContact O-N 3.48Å
241	G	67.9	Low	74.6	Confident	29 Å²	29	75.8 Å²	75.8	30%	0.299	43%	0.431	S	S	.	.	S	Bend	trans	-83.6	153.5	173	0	0	0	0	0	112.5	D239 W243 Y246	D239-G241 PolarHBondContact O-N 3Å; G241-W243 VanDerWaalsContact O-CD1 3.31Å; G241-Y246 PolarHBondContact O-OH 2.94Å
242	S	86.5	Confident	75.6	Confident	112 Å²	112	75.7 Å²	75.7	78%	0.783	44%	0.439	S	S	*	.			trans	-86.9	117.7	162.2	-177.5	0	0	0	0	108
243	W	93.6	Very high	77.1	Confident	27 Å²	27	77.5 Å²	77.5	10%	0.102	44%	0.441	C	S	.	.			trans	-122.8	147.4	-176.3	-62.2	100.7	0	0	0	110.4	K93 R94 S225 D239 G241 V245 Y246 G256	K93-W243 HydrophobicContact CB-CH2 4.25Å; K93-W243 HydrophobicContact CB-CZ3 4.34Å; R94-W243 HydrophobicContact CB-CH2 3.52Å; R94-W243 HydrophobicContact CB-CZ2 4.36Å; R94-W243 HydrophobicContact CB-CZ3 3.74Å; R94-W243 HydrophobicContact CG-CH2 4.49Å; S225-W243 VanDerWaalsContact CB-O 3.23Å; S225-W243 WeakPolarHBondContact CB-O 3.41Å; S225-W243 PolarHBondContact OG-O 2.8Å; D239-W243 PolarHBondContact OD2-NE1 2.88Å; G241-W243 VanDerWaalsContact O-CD1 3.31Å; W243-V245 VanDerWaalsContact C-N 3.32Å; W243-Y246 HydrophobicContact CB-CE1 4.27Å; W243-Y246 HydrophobicContact CB-CE2 4.07Å; W243-Y246 AromaticContact CD1-CE1 3.96Å; W243-Y246 PolarHBondContact N-OH 3.34Å; W243-Y246 WeakPolarHBondContact O-CE2 3.34Å; W243-G256 VanDerWaalsContact CD1-CA 3.49Å; W243-G256 VanDerWaalsContact CG-C 3.41Å
244	P	95.1	Very high	79	Confident	49 Å²	49	70 Å²	70	32%	0.318	41%	0.411	S	S	.	.	S	Bend	trans	-68.8	-30.1	178	27.9	-35.7	0	0	0	113.1	S225 C257 D258	S225-P244 PolarHBondContact N-O 2.93Å; P244-C257 VanDerWaalsContact CD-O 3.28Å; P244-C257 WeakPolarHBondContact CD-O 3.44Å; P244-C257 WeakPolarHBondContact CG-O 3.4Å; P244-D258 WeakPolarHBondContact CG-O 3Å
245	V	95.5	Very high	81.2	Confident	0 Å²	0	63 Å²	63	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.2	179.4	58.8	0	0	0	0	111	H72 I222 F223 W243 G256 C257 V260	H72-V245 HydrophobicContact CB-CB 3.91Å; H72-V245 HydrophobicContact CB-CG1 3.98Å; H72-V245 HydrophobicContact CB-CG2 4.05Å; I222-V245 HydrophobicContact CG2-CG2 3.41Å; I222-V245 VanDerWaalsContact CG2-CG2 3.41Å; F223-V245 CarbonylContact O-C 3.59Å; F223-V245 WeakPolarHBondContact O-CA 3.33Å; F223-V245 WeakPolarHBondContact O-CG2 3.49Å; W243-V245 VanDerWaalsContact C-N 3.32Å; V245-G256 WeakPolarHBondContact O-CA 3.39Å; V245-C257 VanDerWaalsContact CG1-O 3.23Å; V245-C257 WeakPolarHBondContact CG1-O 3.31Å; V245-C257 PolarHBondContact N-O 2.89Å; V245-C257 PolarHBondContact O-N 2.98Å; V245-V260 HydrophobicContact CG2-CG2 4.41Å
246	Y	95	Very high	83.6	Confident	12 Å²	12	57.4 Å²	57.4	5%	0.047	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.3	173.8	-65.6	-98	0	0	0	109.8	I222 F223 F228 G241 W243 F255	I222-Y246 WeakPolarHBondContact CA-O 3.45Å; F223-Y246 PolarHBondContact N-O 3.09Å; F223-Y246 PolarHBondContact O-N 2.82Å; F228-Y246 HydrophobicContact CB-CD2 3.54Å; F228-Y246 HydrophobicContact CB-CE2 4.08Å; F228-Y246 HydrophobicContact CB-CG 3.99Å; F228-Y246 AromaticContact CD1-CD1 3.69Å; F228-Y246 HydrophobicContact CD1-CD1 3.69Å; F228-Y246 AromaticContact CD1-CD2 3.65Å; F228-Y246 HydrophobicContact CD1-CD2 3.65Å; F228-Y246 AromaticContact CD1-CE1 3.74Å; F228-Y246 HydrophobicContact CD1-CE1 3.74Å; F228-Y246 AromaticContact CD1-CE2 3.69Å; F228-Y246 HydrophobicContact CD1-CE2 3.69Å; F228-Y246 AromaticContact CD1-CG 3.66Å; F228-Y246 HydrophobicContact CD1-CG 3.66Å; F228-Y246 AromaticContact CD1-CZ 3.75Å; F228-Y246 HydrophobicContact CD2-CD1 4.31Å; F228-Y246 HydrophobicContact CD2-CD2 4.33Å; F228-Y246 AromaticContact CD2-CG 3.9Å; F228-Y246 HydrophobicContact CD2-CG 3.9Å; F228-Y246 AromaticContact CE1-CD1 3.71Å; F228-Y246 HydrophobicContact CE1-CD1 3.71Å; F228-Y246 HydrophobicContact CE1-CD2 4.49Å; F228-Y246 AromaticContact CE1-CE1 3.73Å; F228-Y246 HydrophobicContact CE1-CE1 3.73Å; F228-Y246 HydrophobicContact CE1-CE2 4.5Å; F228-Y246 HydrophobicContact CE1-CG 4.13Å; F228-Y246 HydrophobicContact CE2-CD1 4.34Å; F228-Y246 HydrophobicContact CE2-CG 4.35Å; F228-Y246 HydrophobicContact CG-CD1 4.01Å; F228-Y246 AromaticContact CG-CD2 3.55Å; F228-Y246 HydrophobicContact CG-CD2 3.55Å; F228-Y246 HydrophobicContact CG-CE1 4.47Å; F228-Y246 HydrophobicContact CG-CE2 4.06Å; F228-Y246 AromaticContact CG-CG 3.54Å; F228-Y246 HydrophobicContact CG-CG 3.54Å; F228-Y246 HydrophobicContact CZ-CD1 4.05Å; F228-Y246 HydrophobicContact CZ-CE1 4.44Å; F228-Y246 HydrophobicContact CZ-CG 4.45Å; G241-Y246 PolarHBondContact O-OH 2.94Å; W243-Y246 HydrophobicContact CB-CE1 4.27Å; W243-Y246 HydrophobicContact CB-CE2 4.07Å; W243-Y246 AromaticContact CD1-CE1 3.96Å; W243-Y246 PolarHBondContact N-OH 3.34Å; W243-Y246 WeakPolarHBondContact O-CE2 3.34Å; Y246-F255 CarbonylContact C-O 3.47Å; Y246-F255 WeakPolarHBondContact CA-O 3.44Å
247	V	95.6	Very high	85.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.6	179.5	-174.4	0	0	0	0	108.8	V96 V219 L249 T254 F255 V260	V96-V247 HydrophobicContact CB-CG2 4.29Å; V96-V247 HydrophobicContact CG1-CG1 4.44Å; V96-V247 HydrophobicContact CG1-CG2 4.4Å; V96-V247 HydrophobicContact CG2-CB 4.47Å; V96-V247 HydrophobicContact CG2-CG2 4.15Å; V219-V247 HydrophobicContact CB-CG1 4.42Å; V219-V247 HydrophobicContact CG1-CG1 3.91Å; V219-V247 HydrophobicContact CG2-CG1 3.75Å; V247-L249 HydrophobicContact CG1-CD2 3.93Å; V247-T254 CarbonylContact O-C 3.59Å; V247-T254 WeakPolarHBondContact O-CA 3.22Å; V247-F255 PolarHBondContact N-O 2.88Å; V247-F255 PolarHBondContact O-N 3.37Å; V247-V260 HydrophobicContact CG2-CG2 3.43Å; V247-V260 VanDerWaalsContact CG2-CG2 3.43Å
248	Q	95.2	Very high	87.6	Confident	52 Å²	52	44.7 Å²	44.7	24%	0.243	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.7	171.6	178	177.7	-12.1	0	0	109.3	E220 H221 F223	E220-Q248 HydrophobicContact CB-CG 4.38Å; E220-Q248 PolarHBondContact N-O 3.09Å; E220-Q248 PolarHBondContact OE2-NE2 3.02Å; H221-Q248 HydrophobicContact CB-CB 4.25Å; H221-Q248 PolarHBondContact N-O 2.76Å; H221-Q248 PolarHBondContact O-N 3.24Å; F223-Q248 HydrophobicContact CE2-CB 4.03Å
249	L	96.4	Very high	89.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	151.3	179.8	-60.2	-175.3	0	0	0	111.2	A119 E214 C217 E218 V219 V247 N251 G252 E253 F255	A119-L249 HydrophobicContact CB-CD1 4.18Å; A119-L249 HydrophobicContact CB-CD2 4.06Å; E214-L249 HydrophobicContact CB-CD1 3.94Å; E214-L249 HydrophobicContact CG-CD1 4.01Å; C217-L249 HydrophobicContact CB-CB 4.25Å; C217-L249 HydrophobicContact CB-CD1 4.4Å; E218-L249 CarbonylContact O-C 3.59Å; E218-L249 VanDerWaalsContact O-CA 3.31Å; E218-L249 WeakPolarHBondContact O-CA 3.48Å; V219-L249 HydrophobicContact CG2-CD2 3.9Å; V247-L249 HydrophobicContact CG1-CD2 3.93Å; L249-N251 VanDerWaalsContact CB-OD1 3.25Å; L249-N251 WeakPolarHBondContact CB-OD1 3.49Å; L249-N251 PolarHBondContact O-N 2.54Å; L249-G252 PolarHBondContact O-N 2.91Å; L249-E253 PolarHBondContact N-O 2.77Å; L249-F255 HydrophobicContact CD1-CD2 4.01Å; L249-F255 HydrophobicContact CD1-CE2 3.71Å; L249-F255 HydrophobicContact CG-CD2 4.42Å; L249-F255 HydrophobicContact CG-CE2 4.48Å
250	T	96.9	Very high	91.6	Very high	77 Å²	77	39.3 Å²	39.3	47%	0.472	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-8.8	179.5	57.6	0	0	0	0	114.7	E218 E220 G252	E218-T250 HydrophobicContact CB-CG2 4.18Å; E218-T250 PolarHBondContact N-OG1 3.16Å; E218-T250 PolarHBondContact O-N 2.94Å; E220-T250 HydrophobicContact CB-CG2 4.01Å; T250-G252 VanDerWaalsContact C-N 3.29Å
251	N	93.6	Very high	93.5	Very high	67 Å²	67	33.2 Å²	33.2	36%	0.358	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.8	170.5	69.5	-5	0	0	0	113.2	E214 C217 L249 E253	E214-N251 PolarHBondContact OE2-ND2 3.38Å; C217-N251 HydrophobicContact CB-CB 4.11Å; L249-N251 VanDerWaalsContact CB-OD1 3.25Å; L249-N251 WeakPolarHBondContact CB-OD1 3.49Å; L249-N251 PolarHBondContact O-N 2.54Å; N251-E253 WeakPolarHBondContact OD1-CB 3.25Å; N251-E253 PolarHBondContact OD1-N 2.79Å
252	G	91.1	Very high	94.9	Very high	53 Å²	53	31.9 Å²	31.9	55%	0.546	19%	0.19	S	C	.	.	S	Bend	trans	93.9	-7.6	-179.6	0	0	0	0	0	114.7	L249 T250	L249-G252 PolarHBondContact O-N 2.91Å; T250-G252 VanDerWaalsContact C-N 3.29Å
253	E	92.6	Very high	95.4	Very high	103 Å²	103	27.3 Å²	27.3	48%	0.481	16%	0.158	S	C	.	.			trans	-75.5	151.4	174.3	-66.4	-62.1	151.6	0	0	111.3	L249 N251 F255	L249-E253 PolarHBondContact N-O 2.77Å; N251-E253 WeakPolarHBondContact OD1-CB 3.25Å; N251-E253 PolarHBondContact OD1-N 2.79Å; E253-F255 HydrophobicContact CB-CD2 4.45Å; E253-F255 HydrophobicContact CB-CE2 3.6Å; E253-F255 HydrophobicContact CB-CZ 3.87Å; E253-F255 HydrophobicContact CG-CZ 4.39Å
254	T	93.4	Very high	95.4	Very high	35 Å²	35	28.5 Å²	28.5	22%	0.215	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	126.2	177.5	-63.8	0	0	0	0	111.2	F228 V247	F228-T254 HydrophobicContact CE2-CG2 3.8Å; F228-T254 HydrophobicContact CZ-CG2 4.18Å; V247-T254 CarbonylContact O-C 3.59Å; V247-T254 WeakPolarHBondContact O-CA 3.22Å
255	F	94.3	Very high	95.2	Very high	30 Å²	30	28.1 Å²	28.1	13%	0.132	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119	-172.5	-60.9	-78.4	0	0	0	111.7	V96 I117 E214 Y246 V247 L249 E253	V96-F255 HydrophobicContact CG2-CB 4.24Å; I117-F255 HydrophobicContact CD1-CB 3.74Å; I117-F255 HydrophobicContact CD1-CD1 3.45Å; I117-F255 VanDerWaalsContact CD1-CD1 3.45Å; I117-F255 HydrophobicContact CD1-CE1 4.17Å; I117-F255 HydrophobicContact CD1-CG 3.68Å; I117-F255 HydrophobicContact CG1-CD1 4.24Å; I117-F255 HydrophobicContact CG2-CD1 4.39Å; I117-F255 HydrophobicContact CG2-CD2 4.01Å; I117-F255 HydrophobicContact CG2-CE1 4.41Å; I117-F255 HydrophobicContact CG2-CE2 4.03Å; I117-F255 HydrophobicContact CG2-CG 4.18Å; I117-F255 HydrophobicContact CG2-CZ 4.23Å; E214-F255 HydrophobicContact CG-CE2 3.83Å; E214-F255 HydrophobicContact CG-CZ 3.92Å; Y246-F255 CarbonylContact C-O 3.47Å; Y246-F255 WeakPolarHBondContact CA-O 3.44Å; V247-F255 PolarHBondContact N-O 2.88Å; V247-F255 PolarHBondContact O-N 3.37Å; L249-F255 HydrophobicContact CD1-CD2 4.01Å; L249-F255 HydrophobicContact CD1-CE2 3.71Å; L249-F255 HydrophobicContact CG-CD2 4.42Å; L249-F255 HydrophobicContact CG-CE2 4.48Å; E253-F255 HydrophobicContact CB-CD2 4.45Å; E253-F255 HydrophobicContact CB-CE2 3.6Å; E253-F255 HydrophobicContact CB-CZ 3.87Å; E253-F255 HydrophobicContact CG-CZ 4.39Å
256	G	95.3	Very high	95.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	138.4	163.4	0	0	0	0	0	110.5	R94 W243 V245	R94-G256 WeakPolarHBondContact CD-O 3.41Å; R94-G256 PolarHBondContact NH1-O 3.03Å; W243-G256 VanDerWaalsContact CD1-CA 3.49Å; W243-G256 VanDerWaalsContact CG-C 3.41Å; V245-G256 WeakPolarHBondContact O-CA 3.39Å
257	C	96	Very high	95.2	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	172	179.1	61.6	0	0	0	0	111.7	R94 V96 P244 V245	R94-C257 HydrophobicContact CB-CB 4.47Å; R94-C257 HydrophobicContact CG-CB 4.07Å; V96-C257 HydrophobicContact CG2-CB 3.92Å; V96-C257 VanDerWaalsContact CG2-SG 3.57Å; P244-C257 VanDerWaalsContact CD-O 3.28Å; P244-C257 WeakPolarHBondContact CD-O 3.44Å; P244-C257 WeakPolarHBondContact CG-O 3.4Å; V245-C257 VanDerWaalsContact CG1-O 3.23Å; V245-C257 WeakPolarHBondContact CG1-O 3.31Å; V245-C257 PolarHBondContact N-O 2.89Å; V245-C257 PolarHBondContact O-N 2.98Å
258	D	96.9	Very high	95.2	Very high	43 Å²	43	32.2 Å²	32.2	23%	0.23	20%	0.2	C	C	.	.	S	Bend	trans	-76.3	-39.1	178.6	-64.3	-71	0	0	0	112.2	A92 K93 R94 P244	A92-D258 VanDerWaalsContact CA-OD2 3.26Å; A92-D258 WeakPolarHBondContact CA-OD2 3.1Å; A92-D258 HydrophobicContact CB-CB 3.76Å; K93-D258 PolarHBondContact N-OD2 3.2Å; R94-D258 PolarHBondContact N-OD2 3.5Å; R94-D258 WeakPolarHBondContact O-CB 3.4Å; R94-D258 PolarHBondContact O-N 2.78Å; P244-D258 WeakPolarHBondContact CG-O 3Å
259	F	97.7	Very high	95.3	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	166.8	172.8	66.7	-84.1	0	0	0	111.7	H72 F85 R88 A92 I95 V96 V261	H72-F259 WeakPolarHBondContact O-CB 3.37Å; F85-F259 AromaticContact CD2-CE2 3.64Å; F85-F259 HydrophobicContact CD2-CE2 3.64Å; F85-F259 AromaticContact CD2-CZ 3.7Å; F85-F259 HydrophobicContact CD2-CZ 3.7Å; F85-F259 AromaticContact CE2-CE2 3.7Å; F85-F259 HydrophobicContact CE2-CE2 3.7Å; F85-F259 AromaticContact CE2-CZ 3.61Å; F85-F259 HydrophobicContact CE2-CZ 3.61Å; R88-F259 HydrophobicContact CB-CD1 3.96Å; R88-F259 HydrophobicContact CB-CE1 3.51Å; R88-F259 HydrophobicContact CB-CE2 4.42Å; R88-F259 HydrophobicContact CB-CZ 3.76Å; A92-F259 HydrophobicContact CB-CD1 4.36Å; A92-F259 HydrophobicContact CB-CE1 3.87Å; I95-F259 HydrophobicContact CG2-CD1 3.93Å; I95-F259 HydrophobicContact CG2-CD2 4.47Å; I95-F259 HydrophobicContact CG2-CE1 3.48Å; I95-F259 VanDerWaalsContact CG2-CE1 3.48Å; I95-F259 HydrophobicContact CG2-CE2 4.09Å; I95-F259 HydrophobicContact CG2-CG 4.4Å; I95-F259 HydrophobicContact CG2-CZ 3.59Å; V96-F259 PolarHBondContact N-O 3.25Å; F259-V261 HydrophobicContact CD2-CG2 4.22Å; F259-V261 HydrophobicContact CE2-CG2 3.73Å
260	V	98.1	Very high	95.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	136.2	179.9	-170.7	0	0	0	0	110.2	L66 H72 V73 L74 V96 V98 V245 V247	L66-V260 HydrophobicContact CD1-CG1 4.07Å; H72-V260 PolarHBondContact O-N 3.04Å; V73-V260 WeakPolarHBondContact CA-O 3.38Å; V73-V260 HydrophobicContact CG2-CB 4.28Å; L74-V260 PolarHBondContact N-O 2.84Å; V96-V260 HydrophobicContact CB-CG1 4.43Å; V96-V260 HydrophobicContact CG1-CG1 4.44Å; V96-V260 CarbonylContact O-C 2.85Å; V96-V260 WeakPolarHBondContact O-CA 3.1Å; V98-V260 HydrophobicContact CG2-CG1 3.8Å; V245-V260 HydrophobicContact CG2-CG2 4.41Å; V247-V260 HydrophobicContact CG2-CG2 3.43Å; V247-V260 VanDerWaalsContact CG2-CG2 3.43Å
261	V	97.9	Very high	95.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.6	170	-174.1	0	0	0	0	110.1	L74 I76 F85 V96 V97 V98 L107 F259 A263	L74-V261 CarbonylContact O-C 3.34Å; L74-V261 WeakPolarHBondContact O-CA 3.43Å; I76-V261 HydrophobicContact CD1-CG1 4.04Å; I76-V261 HydrophobicContact CG1-CG1 4.24Å; F85-V261 HydrophobicContact CD2-CG2 4.13Å; F85-V261 HydrophobicContact CE2-CG2 3.71Å; V96-V261 PolarHBondContact O-N 2.74Å; V97-V261 HydrophobicContact CG2-CB 4.27Å; V97-V261 HydrophobicContact CG2-CG2 4.43Å; V98-V261 PolarHBondContact N-O 2.91Å; L107-V261 HydrophobicContact CD1-CG1 3.76Å; F259-V261 HydrophobicContact CD2-CG2 4.22Å; F259-V261 HydrophobicContact CE2-CG2 3.73Å; V261-A263 PolarHBondContact O-N 3.21Å
262	S	97.1	Very high	95.2	Very high	2 Å²	2	34 Å²	34	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	99.4	175.3	-172.7	0	0	0	0	110.6	K64 L65 L66 L74	K64-S262 PolarHBondContact O-OG 3.14Å; L65-S262 WeakPolarHBondContact CA-OG 3.49Å; L66-S262 PolarHBondContact N-OG 3.13Å; L74-S262 PolarHBondContact O-N 2.76Å
263	A	95.5	Very high	95.5	Very high	15 Å²	15	32.2 Å²	32.2	12%	0.124	18%	0.183	C	C	.	.			trans	-110.6	40	176.6	0	0	0	0	0	111.2	V98 I103 A104 V261	V98-A263 CarbonylContact O-C 3.57Å; V98-A263 WeakPolarHBondContact O-CA 3.37Å; V98-A263 PolarHBondContact O-N 2.98Å; I103-A263 HydrophobicContact CB-CB 4.49Å; I103-A263 HydrophobicContact CG2-CB 4.29Å; A104-A263 HydrophobicContact CB-CB 3.92Å; V261-A263 PolarHBondContact O-N 3.21Å
264	T	93.9	Very high	95.7	Very high	53 Å²	53	30 Å²	30	33%	0.325	18%	0.175	S	C	.	.	S	Bend	trans	-92.5	9.2	-170.6	65.7	0	0	0	0	115	K64 L66 V98	K64-T264 PolarHBondContact O-OG1 3.23Å; L66-T264 HydrophobicContact CD2-CG2 3.87Å; L66-T264 HydrophobicContact CG-CG2 4.4Å; V98-T264 HydrophobicContact CG1-CG2 4.06Å; V98-T264 WeakPolarHBondContact O-CG2 3.39Å
265	G	92.3	Very high	95.8	Very high	41 Å²	41	36.4 Å²	36.4	42%	0.423	20%	0.202	S	C	.	.			trans	123.1	-166.8	-179.3	0	0	0	0	0	112.6	K64	K64-G265 WeakPolarHBondContact CB-O 3.32Å; K64-G265 PolarHBondContact N-O 2.84Å
266	V	93.5	Very high	95.8	Very high	45 Å²	45	37.8 Å²	37.8	27%	0.273	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	163.4	-179.4	-63.2	0	0	0	0	111.3	A61 R62 R321	A61-V266 HydrophobicContact CB-CB 3.8Å; A61-V266 HydrophobicContact CB-CG2 3.78Å; R62-V266 CarbonylContact O-C 3.58Å; R62-V266 WeakPolarHBondContact O-CA 3.21Å; R62-V266 WeakPolarHBondContact O-CB 3.44Å; V266-R321 HydrophobicContact CG2-CB 4.19Å; V266-R321 HydrophobicContact CG2-CG 4.03Å
267	V	95.1	Very high	95.9	Very high	48 Å²	48	38.5 Å²	38.5	29%	0.291	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.4	174.5	-175.9	0	0	0	0	108.8	A61 R62 K64	A61-V267 CarbonylContact C-O 3.54Å; A61-V267 VanDerWaalsContact CA-O 3.26Å; A61-V267 WeakPolarHBondContact CA-O 3.48Å; A61-V267 VanDerWaalsContact CB-O 3.31Å; A61-V267 WeakPolarHBondContact CB-O 3.25Å; R62-V267 HydrophobicContact CG-CB 4.33Å; R62-V267 PolarHBondContact N-O 3.01Å; R62-V267 PolarHBondContact NH1-O 3.3Å; R62-V267 PolarHBondContact O-N 3.05Å; K64-V267 HydrophobicContact CB-CG2 4.2Å; K64-V267 HydrophobicContact CG-CG2 4.27Å
268	P	97.2	Very high	95.9	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	139.9	176.7	-31.8	39.2	0	0	0	113.9	R62 T270 D284	R62-P268 PolarHBondContact NH1-O 3.03Å; P268-T270 VanDerWaalsContact C-N 3.3Å; P268-T270 HydrophobicContact CB-CG2 3.94Å; P268-T270 PolarHBondContact O-N 2.85Å; P268-T270 VanDerWaalsContact O-N 3.15Å; P268-D284 VanDerWaalsContact CD-O 3.32Å; P268-D284 WeakPolarHBondContact CD-O 3.46Å
269	N	96.5	Very high	96	Very high	42 Å²	42	43.4 Å²	43.4	23%	0.225	25%	0.254	C	S	.	.			trans	-90	61.3	-178.7	-70.4	-22.9	0	0	0	111.3	S59 G60 A61 R62 F273	S59-N269 WeakPolarHBondContact O-CB 3.32Å; S59-N269 PolarHBondContact O-ND2 3.27Å; S59-N269 PolarHBondContact OG-O 2.87Å; G60-N269 WeakPolarHBondContact O-CB 3.45Å; G60-N269 PolarHBondContact O-N 3.41Å; A61-N269 PolarHBondContact N-ND2 2.73Å; R62-N269 WeakPolarHBondContact CB-OD1 3.3Å; R62-N269 WeakPolarHBondContact CD-OD1 3.24Å; R62-N269 WeakPolarHBondContact CG-OD1 3.41Å; R62-N269 PolarHBondContact N-OD1 2.78Å; R62-N269 PolarHBondContact NH1-OD1 3.32Å; N269-F273 WeakPolarHBondContact O-CE2 3.06Å
270	T	97.2	Very high	96.1	Very high	12 Å²	12	47.7 Å²	47.7	7%	0.074	28%	0.276	C	S	.	.			trans	-91.8	-23.6	-174.2	51.2	0	0	0	0	114.6	P268 F273 L274 G285 L287 V306	P268-T270 VanDerWaalsContact C-N 3.3Å; P268-T270 HydrophobicContact CB-CG2 3.94Å; P268-T270 PolarHBondContact O-N 2.85Å; P268-T270 VanDerWaalsContact O-N 3.15Å; T270-F273 WeakPolarHBondContact O-CD2 3.45Å; T270-F273 PolarHBondContact O-N 2.71Å; T270-L274 WeakPolarHBondContact O-CG 3.18Å; T270-G285 WeakPolarHBondContact CG2-O 3.19Å; T270-G285 PolarHBondContact OG1-O 2.72Å; T270-L287 HydrophobicContact CG2-CD2 3.92Å; T270-L287 HydrophobicContact CG2-CG 3.76Å; T270-V306 HydrophobicContact CG2-CG2 3.73Å; T270-V306 WeakPolarHBondContact CG2-O 3.32Å
271	E	94.3	Very high	96.1	Very high	138 Å²	138	50.9 Å²	50.9	65%	0.645	29%	0.293	S	S	*	.	H	α-helix	trans	-51.2	-44.1	-169.5	-174.7	-87.1	174.5	0	0	115.9	F273 L274	E271-F273 PolarHBondContact O-N 2.84Å; E271-L274 PolarHBondContact O-N 2.94Å
272	P	93.5	Very high	96.1	Very high	41 Å²	41	51.8 Å²	51.8	27%	0.266	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-15	-179.6	-25.4	36	0	0	0	115
273	F	96.9	Very high	96	Very high	16 Å²	16	60.5 Å²	60.5	7%	0.07	35%	0.347	C	S	.	.	H	α-helix	trans	-101.1	-16.5	-176.6	-47.5	-70.9	0	0	0	112.9	V32 L35 I57 N269 T270 E271 N277 F279	V32-F273 HydrophobicContact CB-CE1 4.38Å; V32-F273 HydrophobicContact CG1-CE1 3.87Å; L35-F273 HydrophobicContact CB-CD1 3.97Å; L35-F273 HydrophobicContact CD2-CB 4.32Å; L35-F273 HydrophobicContact CD2-CD1 3.98Å; I57-F273 HydrophobicContact CD1-CB 4.23Å; I57-F273 HydrophobicContact CD1-CD1 3.84Å; I57-F273 HydrophobicContact CD1-CD2 4.22Å; I57-F273 HydrophobicContact CD1-CE1 4.27Å; I57-F273 HydrophobicContact CD1-CG 3.82Å; I57-F273 HydrophobicContact CG1-CD1 4.33Å; I57-F273 HydrophobicContact CG1-CE1 4.27Å; I57-F273 HydrophobicContact CG2-CD2 3.9Å; I57-F273 HydrophobicContact CG2-CE1 4.24Å; I57-F273 HydrophobicContact CG2-CE2 3.46Å; I57-F273 VanDerWaalsContact CG2-CE2 3.46Å; I57-F273 HydrophobicContact CG2-CG 4.48Å; I57-F273 HydrophobicContact CG2-CZ 3.66Å; N269-F273 WeakPolarHBondContact O-CE2 3.06Å; T270-F273 WeakPolarHBondContact O-CD2 3.45Å; T270-F273 PolarHBondContact O-N 2.71Å; E271-F273 PolarHBondContact O-N 2.84Å; F273-N277 PolarHBondContact O-ND2 3.38Å; F273-F279 HydrophobicContact CB-CD2 4.4Å; F273-F279 HydrophobicContact CB-CE2 3.95Å; F273-F279 HydrophobicContact CB-CZ 4.5Å; F273-F279 WeakPolarHBondContact O-CD2 3.27Å; F273-F279 VanDerWaalsContact O-CE2 3.22Å; F273-F279 WeakPolarHBondContact O-CE2 3.39Å
274	L	96.6	Very high	96	Very high	58 Å²	58	63.3 Å²	63.3	30%	0.304	36%	0.36	S	S	.	.	H	α-helix	trans	-78	-33	-170.3	-53.3	-176.5	0	0	0	113.4	T270 E271 G276 N277 F279 L281 L287	T270-L274 WeakPolarHBondContact O-CG 3.18Å; E271-L274 PolarHBondContact O-N 2.94Å; L274-G276 PolarHBondContact O-N 2.67Å; L274-G276 VanDerWaalsContact O-N 3.15Å; L274-N277 PolarHBondContact O-N 2.93Å; L274-F279 HydrophobicContact CD2-CB 4.1Å; L274-F279 HydrophobicContact CD2-CD2 4.4Å; L274-L281 HydrophobicContact CD1-CD1 4.01Å; L274-L281 HydrophobicContact CD2-CD1 4.29Å; L274-L281 HydrophobicContact CD2-CD2 3.95Å; L274-L287 HydrophobicContact CD2-CD2 4.25Å
275	H	95.2	Very high	96.1	Very high	169 Å²	169	62 Å²	62	78%	0.782	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	113.7	-172.8	-172.6	79.9	0	0	0	112.2
276	G	94.6	Very high	96.4	Very high	59 Å²	59	60 Å²	60	61%	0.608	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	4.1	177.7	0	0	0	0	0	115.2	L274	L274-G276 PolarHBondContact O-N 2.67Å; L274-G276 VanDerWaalsContact O-N 3.15Å
277	N	97.6	Very high	96.7	Very high	16 Å²	16	57.9 Å²	57.9	9%	0.086	32%	0.324	C	S	.	.	S	Bend	trans	-124.2	171.2	174.3	-45.8	-61.3	0	0	0	109.5	L35 T37 F273 L274 F279 E297	L35-N277 PolarHBondContact O-ND2 2.99Å; T37-N277 HydrophobicContact CG2-CB 4.14Å; T37-N277 PolarHBondContact N-OD1 2.75Å; T37-N277 PolarHBondContact OG1-OD1 2.88Å; T37-N277 VanDerWaalsContact OG1-OD1 3.12Å; F273-N277 PolarHBondContact O-ND2 3.38Å; L274-N277 PolarHBondContact O-N 2.93Å; N277-F279 HydrophobicContact CB-CD2 3.82Å; N277-F279 HydrophobicContact CB-CE2 3.68Å; N277-E297 HydrophobicContact CB-CG 4.37Å
278	N	97.1	Very high	96.9	Very high	126 Å²	126	58.6 Å²	58.6	67%	0.674	32%	0.324	S	S	*	.			trans	-120.1	44.2	-171	-42.9	-89	0	0	0	111.4	L280 S296 E297	N278-L280 PolarHBondContact O-N 3.01Å; N278-S296 PolarHBondContact O-OG 3.32Å; N278-S296 VanDerWaalsContact O-OG 3.11Å; N278-E297 VanDerWaalsContact CA-OE1 3.28Å; N278-E297 WeakPolarHBondContact CA-OE1 3.49Å; N278-E297 VanDerWaalsContact CB-OE1 3.29Å; N278-E297 WeakPolarHBondContact CB-OE1 3.45Å; N278-E297 PolarHBondContact N-OE1 3Å; N278-E297 PolarHBondContact ND2-OE1 3.39Å; N278-E297 VanDerWaalsContact ND2-OE1 3.1Å
279	F	98.4	Very high	96.9	Very high	20 Å²	20	58.5 Å²	58.5	9%	0.088	32%	0.323	C	S	.	.			trans	-59.8	126.2	174.7	-71.5	-76.4	0	0	0	111.6	L35 T37 I57 F273 L274 N277 L287 T295 S296 E297 V300	L35-F279 HydrophobicContact CD2-CE2 3.99Å; L35-F279 HydrophobicContact CD2-CZ 3.7Å; T37-F279 HydrophobicContact CG2-CE2 4.27Å; T37-F279 HydrophobicContact CG2-CZ 4.04Å; I57-F279 HydrophobicContact CD1-CE1 4.32Å; I57-F279 HydrophobicContact CD1-CZ 4.1Å; F273-F279 HydrophobicContact CB-CD2 4.4Å; F273-F279 HydrophobicContact CB-CE2 3.95Å; F273-F279 HydrophobicContact CB-CZ 4.5Å; F273-F279 WeakPolarHBondContact O-CD2 3.27Å; F273-F279 VanDerWaalsContact O-CE2 3.22Å; F273-F279 WeakPolarHBondContact O-CE2 3.39Å; L274-F279 HydrophobicContact CD2-CB 4.1Å; L274-F279 HydrophobicContact CD2-CD2 4.4Å; N277-F279 HydrophobicContact CB-CD2 3.82Å; N277-F279 HydrophobicContact CB-CE2 3.68Å; F279-L287 HydrophobicContact CB-CD2 3.83Å; F279-L287 HydrophobicContact CD1-CD1 4.49Å; F279-L287 HydrophobicContact CD1-CD2 3.8Å; F279-L287 HydrophobicContact CG-CD2 3.79Å; F279-T295 HydrophobicContact CD1-CG2 4.4Å; F279-T295 HydrophobicContact CE1-CG2 4.18Å; F279-T295 WeakPolarHBondContact CE1-OG1 3.44Å; F279-S296 WeakPolarHBondContact CA-OG 3.49Å; F279-E297 HydrophobicContact CD1-CB 4.25Å; F279-E297 HydrophobicContact CD1-CG 3.93Å; F279-E297 HydrophobicContact CD2-CG 4.25Å; F279-E297 HydrophobicContact CE1-CB 3.75Å; F279-E297 HydrophobicContact CE1-CG 3.8Å; F279-E297 HydrophobicContact CE2-CG 4.1Å; F279-E297 HydrophobicContact CG-CG 4.16Å; F279-E297 HydrophobicContact CZ-CB 3.99Å; F279-E297 HydrophobicContact CZ-CG 3.87Å; F279-V300 HydrophobicContact CE1-CB 4.39Å; F279-V300 HydrophobicContact CE1-CG1 3.91Å; F279-V300 HydrophobicContact CZ-CG1 4Å
280	L	98.4	Very high	97	Very high	97 Å²	97	59.3 Å²	59.3	51%	0.508	33%	0.328	S	S	.	.			trans	-72	135.5	164.6	-64.8	179.6	0	0	0	109.1	N278 Q288 S296	N278-L280 PolarHBondContact O-N 3.01Å; L280-Q288 HydrophobicContact CB-CB 4.15Å; L280-Q288 HydrophobicContact CB-CG 4.08Å; L280-Q288 PolarHBondContact O-N 3.11Å; L280-S296 PolarHBondContact N-OG 2.85Å
281	L	98.5	Very high	97	Very high	67 Å²	67	61.9 Å²	61.9	35%	0.351	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-115.2	141.9	179.5	-59.9	-178.3	0	0	0	110.7	L274 G286 L287 Q288	L274-L281 HydrophobicContact CD1-CD1 4.01Å; L274-L281 HydrophobicContact CD2-CD1 4.29Å; L274-L281 HydrophobicContact CD2-CD2 3.95Å; L281-G286 CarbonylContact C-O 3.49Å; L281-G286 VanDerWaalsContact CA-O 3.31Å; L281-G286 WeakPolarHBondContact CA-O 3.32Å; L281-L287 HydrophobicContact CD2-CD2 3.81Å; L281-Q288 PolarHBondContact O-NE2 3.09Å
282	A	97.9	Very high	97.2	Very high	19 Å²	19	58.5 Å²	58.5	16%	0.157	33%	0.325	C	S	.	.			trans	-78.7	169.9	168	0	0	0	0	0	111	D284 G285 G286 Q288 S308	A282-D284 PolarHBondContact O-N 3.11Å; A282-D284 VanDerWaalsContact O-N 3.09Å; A282-G285 PolarHBondContact O-N 2.78Å; A282-G286 PolarHBondContact N-O 2.87Å; A282-Q288 HydrophobicContact CB-CG 4.26Å; A282-S308 VanDerWaalsContact CB-CB 3.42Å
283	D	96.3	Very high	97.5	Very high	185 Å²	185	56.5 Å²	56.5	99%	0.989	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.4	-178.4	-67	-18.3	0	0	0	113.9	G285	D283-G285 VanDerWaalsContact C-N 3.33Å
284	D	94.7	Very high	97.5	Very high	74 Å²	74	58 Å²	58	40%	0.396	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.3	175.7	77.9	-30.8	0	0	0	114	P268 A282 G286 S308 R321	P268-D284 VanDerWaalsContact CD-O 3.32Å; P268-D284 WeakPolarHBondContact CD-O 3.46Å; A282-D284 PolarHBondContact O-N 3.11Å; A282-D284 VanDerWaalsContact O-N 3.09Å; D284-G286 VanDerWaalsContact C-N 3.34Å; D284-G286 PolarHBondContact OD1-N 3.11Å; D284-G286 VanDerWaalsContact OD1-N 3.11Å; D284-S308 PolarHBondContact OD1-OG 3.27Å; D284-S308 PolarHBondContact OD2-OG 2.99Å; D284-R321 IonicContact OD1-NH2 2.7Å; D284-R321 IonicContact OD2-CZ 3.43Å; D284-R321 IonicContact OD2-NE 3.55Å; D284-R321 IonicContact OD2-NH2 2.81Å; D284-R321 PolarHBondContact OD2-NH2 3.4Å
285	G	97.1	Very high	97.6	Very high	25 Å²	25	55.8 Å²	55.8	26%	0.258	31%	0.308	S	S	.	.	S	Bend	trans	81.8	6.3	-177.4	0	0	0	0	0	114.7	T270 A282 D283	T270-G285 WeakPolarHBondContact CG2-O 3.19Å; T270-G285 PolarHBondContact OG1-O 2.72Å; A282-G285 PolarHBondContact O-N 2.78Å; D283-G285 VanDerWaalsContact C-N 3.33Å
286	G	98.4	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-75.5	151.5	173.7	0	0	0	0	0	112.6	L281 A282 D284 Q288 V306	L281-G286 CarbonylContact C-O 3.49Å; L281-G286 VanDerWaalsContact CA-O 3.31Å; L281-G286 WeakPolarHBondContact CA-O 3.32Å; A282-G286 PolarHBondContact N-O 2.87Å; D284-G286 VanDerWaalsContact C-N 3.34Å; D284-G286 PolarHBondContact OD1-N 3.11Å; D284-G286 VanDerWaalsContact OD1-N 3.11Å; G286-Q288 PolarHBondContact O-N 2.94Å; G286-V306 CarbonylContact C-O 3.6Å; G286-V306 WeakPolarHBondContact CA-O 3.36Å
287	L	98.8	Very high	98	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	125.3	172	-59	177.9	0	0	0	109.2	I57 T270 L274 F279 L281 V289 T295 A302 V306 C307 S308	I57-L287 HydrophobicContact CB-CD1 4.21Å; I57-L287 HydrophobicContact CD1-CD1 3.7Å; I57-L287 HydrophobicContact CG2-CD1 4.07Å; T270-L287 HydrophobicContact CG2-CD2 3.92Å; T270-L287 HydrophobicContact CG2-CG 3.76Å; L274-L287 HydrophobicContact CD2-CD2 4.25Å; F279-L287 HydrophobicContact CB-CD2 3.83Å; F279-L287 HydrophobicContact CD1-CD1 4.49Å; F279-L287 HydrophobicContact CD1-CD2 3.8Å; F279-L287 HydrophobicContact CG-CD2 3.79Å; L281-L287 HydrophobicContact CD2-CD2 3.81Å; L287-V289 PolarHBondContact O-N 2.62Å; L287-T295 HydrophobicContact CB-CG2 4.32Å; L287-T295 HydrophobicContact CD1-CG2 4.31Å; L287-A302 HydrophobicContact CB-CB 4.41Å; L287-A302 HydrophobicContact CD1-CB 3.91Å; L287-V306 HydrophobicContact CD1-CG2 4.27Å; L287-V306 HydrophobicContact CG-CG2 4.4Å; L287-V306 PolarHBondContact N-O 3.12Å; L287-C307 HydrophobicContact CB-CB 4.24Å; L287-C307 CarbonylContact O-C 3.49Å; L287-C307 WeakPolarHBondContact O-CA 3.33Å; L287-C307 VanDerWaalsContact O-CB 3.31Å; L287-C307 WeakPolarHBondContact O-CB 3.29Å; L287-S308 PolarHBondContact O-N 3.37Å
288	Q	98.8	Very high	97.9	Very high	62 Å²	62	51.2 Å²	51.2	29%	0.29	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.8	172.4	-62.1	-169.8	8.2	0	0	109.6	L280 L281 A282 G286 T295 C310	L280-Q288 HydrophobicContact CB-CB 4.15Å; L280-Q288 HydrophobicContact CB-CG 4.08Å; L280-Q288 PolarHBondContact O-N 3.11Å; L281-Q288 PolarHBondContact O-NE2 3.09Å; A282-Q288 HydrophobicContact CB-CG 4.26Å; G286-Q288 PolarHBondContact O-N 2.94Å; Q288-T295 WeakPolarHBondContact O-CA 3.49Å; Q288-C310 HydrophobicContact CB-CB 4.21Å; Q288-C310 VanDerWaalsContact CG-SG 3.58Å
289	V	98.8	Very high	98	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.6	173.2	-70.2	0	0	0	0	112.1	L287 M293 M294 T295 A302 C307 S308 C310 W311 M329	L287-V289 PolarHBondContact O-N 2.62Å; V289-M293 WeakPolarHBondContact CG1-O 3.02Å; V289-M294 VanDerWaalsContact CA-O 3.24Å; V289-M294 WeakPolarHBondContact CA-O 3.44Å; V289-T295 HydrophobicContact CG1-CG2 3.88Å; V289-A302 HydrophobicContact CG1-CB 3.89Å; V289-C307 HydrophobicContact CG1-CB 3.96Å; V289-C307 HydrophobicContact CG2-CB 4.12Å; V289-S308 WeakPolarHBondContact CG2-O 3.47Å; V289-S308 PolarHBondContact N-O 3.2Å; V289-C310 PolarHBondContact O-N 3.15Å; V289-W311 HydrophobicContact CG2-CZ3 4.22Å; V289-M329 HydrophobicContact CG2-CE 4.31Å
290	D	98.2	Very high	98	Very high	59 Å²	59	46.1 Å²	46.1	32%	0.316	26%	0.257	S	S	.	.			trans	-83.5	-174.6	173.8	67	13.4	0	0	0	113	H292 M293 M294 W311	D290-H292 PolarHBondContact O-N 3.3Å; D290-H292 VanDerWaalsContact OD1-CA 3.31Å; D290-H292 WeakPolarHBondContact OD1-CA 2.92Å; D290-H292 WeakPolarHBondContact OD1-CB 3.11Å; D290-H292 PolarHBondContact OD1-N 3.25Å; D290-M293 PolarHBondContact O-N 2.98Å; D290-M293 PolarHBondContact OD1-N 2.8Å; D290-M293 VanDerWaalsContact OD1-N 3.15Å; D290-M294 PolarHBondContact N-O 2.91Å; D290-M294 WeakPolarHBondContact OD1-CB 3.37Å; D290-M294 PolarHBondContact OD1-N 3.41Å; D290-W311 WeakPolarHBondContact O-CZ3 3.25Å
291	D	97.6	Very high	98	Very high	65 Å²	65	41.6 Å²	41.6	35%	0.348	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-0.5	177.4	60.7	-8	0	0	0	114	W311 Y332 L348	D291-W311 HydrophobicContact CB-CB 3.86Å; D291-W311 HydrophobicContact CB-CD2 4.44Å; D291-W311 HydrophobicContact CB-CG 4.01Å; D291-Y332 WeakPolarHBondContact O-CE1 3.31Å; D291-Y332 PolarHBondContact O-OH 3.11Å; D291-L348 HydrophobicContact CB-CD1 4.27Å
292	H	98	Very high	98	Very high	67 Å²	67	38.4 Å²	38.4	31%	0.31	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	8.6	169.6	-65	68.3	0	0	0	111.7	D290 M294 Y301 C336	D290-H292 PolarHBondContact O-N 3.3Å; D290-H292 VanDerWaalsContact OD1-CA 3.31Å; D290-H292 WeakPolarHBondContact OD1-CA 2.92Å; D290-H292 WeakPolarHBondContact OD1-CB 3.11Å; D290-H292 PolarHBondContact OD1-N 3.25Å; H292-M294 PolarHBondContact O-N 2.94Å; H292-Y301 VanDerWaalsContact O-CD1 3.3Å; H292-Y301 WeakPolarHBondContact O-CD1 3.4Å; H292-Y301 WeakPolarHBondContact O-CE1 3.29Å; H292-C336 HydrophobicContact CB-CB 4.46Å; H292-C336 WeakPolarHBondContact O-CB 3.18Å; H292-C336 PolarHBondContact O-SG 3.33Å; H292-C336 VanDerWaalsContact O-SG 3.35Å
293	M	98.6	Very high	98.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	62	14	-173.4	-53	-74	137.5	0	0	113.9	V289 D290 Y301 A302 W311 M329 Y332 A333 F352	V289-M293 WeakPolarHBondContact CG1-O 3.02Å; D290-M293 PolarHBondContact O-N 2.98Å; D290-M293 PolarHBondContact OD1-N 2.8Å; D290-M293 VanDerWaalsContact OD1-N 3.15Å; M293-Y301 HydrophobicContact CB-CD1 4.3Å; M293-Y301 CarbonylContact O-C 3.59Å; M293-Y301 WeakPolarHBondContact O-CA 3.2Å; M293-Y301 WeakPolarHBondContact O-CB 3.43Å; M293-A302 PolarHBondContact O-N 3.35Å; M293-W311 HydrophobicContact CE-CH2 3.46Å; M293-W311 VanDerWaalsContact CE-CH2 3.46Å; M293-W311 HydrophobicContact CE-CZ2 4.3Å; M293-W311 HydrophobicContact CE-CZ3 3.65Å; M293-W311 HydrophobicContact SD-CZ3 4.45Å; M293-M329 HydrophobicContact CE-CE 4.46Å; M293-M329 HydrophobicContact SD-CB 4.13Å; M293-M329 HydrophobicContact SD-CE 3.7Å; M293-M329 HydrophobicContact SD-CG 4.16Å; M293-Y332 HydrophobicContact CE-CD1 3.66Å; M293-Y332 HydrophobicContact CE-CE1 3.96Å; M293-Y332 HydrophobicContact CG-CD1 3.6Å; M293-Y332 HydrophobicContact CG-CE1 4.03Å; M293-Y332 HydrophobicContact SD-CD1 4.37Å; M293-A333 HydrophobicContact CB-CB 3.79Å; M293-A333 HydrophobicContact CG-CB 3.97Å; M293-F352 HydrophobicContact CE-CE1 4.17Å; M293-F352 HydrophobicContact CE-CE2 3.94Å; M293-F352 HydrophobicContact CE-CZ 3.65Å
294	M	98.6	Very high	98.1	Very high	47 Å²	47	29.2 Å²	29.2	23%	0.232	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-82.7	140.5	179.4	-163.2	-179.3	-64.2	0	0	109.8	V289 D290 H292 Y301	V289-M294 VanDerWaalsContact CA-O 3.24Å; V289-M294 WeakPolarHBondContact CA-O 3.44Å; D290-M294 PolarHBondContact N-O 2.91Å; D290-M294 WeakPolarHBondContact OD1-CB 3.37Å; D290-M294 PolarHBondContact OD1-N 3.41Å; H292-M294 PolarHBondContact O-N 2.94Å; M294-Y301 HydrophobicContact CB-CD1 4.15Å; M294-Y301 HydrophobicContact CB-CE1 4.07Å; M294-Y301 HydrophobicContact CE-CE1 4.12Å; M294-Y301 HydrophobicContact CE-CE2 4.26Å; M294-Y301 WeakPolarHBondContact CE-OH 3.41Å; M294-Y301 HydrophobicContact CG-CE1 4.48Å
295	T	98.8	Very high	98.2	Very high	11 Å²	11	26.3 Å²	26.3	7%	0.067	15%	0.151	C	C	.	.			trans	-85.3	178.9	175.4	71.5	0	0	0	0	111.2	F279 L287 Q288 V289 E297 V300 A302	F279-T295 HydrophobicContact CD1-CG2 4.4Å; F279-T295 HydrophobicContact CE1-CG2 4.18Å; F279-T295 WeakPolarHBondContact CE1-OG1 3.44Å; L287-T295 HydrophobicContact CB-CG2 4.32Å; L287-T295 HydrophobicContact CD1-CG2 4.31Å; Q288-T295 WeakPolarHBondContact O-CA 3.49Å; V289-T295 HydrophobicContact CG1-CG2 3.88Å; T295-E297 PolarHBondContact O-N 3.48Å; T295-E297 PolarHBondContact OG1-N 2.9Å; T295-E297 PolarHBondContact OG1-O 3.48Å; T295-V300 WeakPolarHBondContact CB-O 3.46Å; T295-V300 HydrophobicContact CG2-CG1 4.43Å; T295-V300 WeakPolarHBondContact CG2-O 3.3Å; T295-V300 PolarHBondContact N-O 3.28Å; T295-V300 PolarHBondContact OG1-O 2.96Å; T295-A302 HydrophobicContact CG2-CB 3.85Å
296	S	98.3	Very high	98.3	Very high	48 Å²	48	25.1 Å²	25.1	34%	0.336	14%	0.139	S	C	.	.	S	Bend	trans	-69.2	-6.6	172.4	66.6	0	0	0	0	114.9	N278 F279 L280	N278-S296 PolarHBondContact O-OG 3.32Å; N278-S296 VanDerWaalsContact O-OG 3.11Å; F279-S296 WeakPolarHBondContact CA-OG 3.49Å; L280-S296 PolarHBondContact N-OG 2.85Å
297	E	98.4	Very high	98.3	Very high	17 Å²	17	25.1 Å²	25.1	8%	0.079	14%	0.139	C	C	.	.	S	Bend	trans	-99.4	124.2	173.2	-75.1	-72.2	158.8	0	0	109.4	T37 N277 N278 F279 T295 V300	T37-E297 WeakPolarHBondContact CB-OE2 3.23Å; T37-E297 HydrophobicContact CG2-CB 3.87Å; T37-E297 HydrophobicContact CG2-CG 3.92Å; T37-E297 PolarHBondContact OG1-OE2 2.79Å; N277-E297 HydrophobicContact CB-CG 4.37Å; N278-E297 VanDerWaalsContact CA-OE1 3.28Å; N278-E297 WeakPolarHBondContact CA-OE1 3.49Å; N278-E297 VanDerWaalsContact CB-OE1 3.29Å; N278-E297 WeakPolarHBondContact CB-OE1 3.45Å; N278-E297 PolarHBondContact N-OE1 3Å; N278-E297 PolarHBondContact ND2-OE1 3.39Å; N278-E297 VanDerWaalsContact ND2-OE1 3.1Å; F279-E297 HydrophobicContact CD1-CB 4.25Å; F279-E297 HydrophobicContact CD1-CG 3.93Å; F279-E297 HydrophobicContact CD2-CG 4.25Å; F279-E297 HydrophobicContact CE1-CB 3.75Å; F279-E297 HydrophobicContact CE1-CG 3.8Å; F279-E297 HydrophobicContact CE2-CG 4.1Å; F279-E297 HydrophobicContact CG-CG 4.16Å; F279-E297 HydrophobicContact CZ-CB 3.99Å; F279-E297 HydrophobicContact CZ-CG 3.87Å; T295-E297 PolarHBondContact O-N 3.48Å; T295-E297 PolarHBondContact OG1-N 2.9Å; T295-E297 PolarHBondContact OG1-O 3.48Å; E297-V300 HydrophobicContact CB-CB 4.3Å; E297-V300 HydrophobicContact CB-CG2 4.32Å; E297-V300 PolarHBondContact O-N 2.83Å
298	P	97	Very high	98.3	Very high	83 Å²	83	25.4 Å²	25.4	54%	0.539	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	144.3	-178.6	-27.1	34.8	0	0	0	112.9	V300	P298-V300 PolarHBondContact O-N 3.29Å
299	D	98.2	Very high	98.3	Very high	40 Å²	40	22.9 Å²	22.9	21%	0.214	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	6	178.4	-54.2	-60.3	0	0	0	115.2	H40 E53 K54 L55	H40-D299 IonicContact CE1-OD2 2.68Å; H40-D299 PolarHBondContact CE1-OD2 2.95Å; H40-D299 VanDerWaalsContact CE1-OD2 3.24Å; H40-D299 IonicContact NE2-OD2 3.23Å; E53-D299 WeakPolarHBondContact O-CB 3.28Å; K54-D299 WeakPolarHBondContact CA-O 3.33Å; K54-D299 HydrophobicContact CD-CB 3.97Å; K54-D299 WeakPolarHBondContact CD-OD1 3.31Å; K54-D299 WeakPolarHBondContact CE-OD1 3.4Å; K54-D299 IonicContact NZ-OD1 2.95Å; K54-D299 PolarHBondContact NZ-OD1 3.33Å; L55-D299 PolarHBondContact N-O 3.15Å
300	V	98.7	Very high	98.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.5	175.2	-174.5	0	0	0	0	110.7	L35 T37 Y52 L55 I57 F279 T295 E297 P298	L35-V300 HydrophobicContact CD2-CG1 4.5Å; T37-V300 HydrophobicContact CG2-CG2 3.92Å; Y52-V300 HydrophobicContact CE2-CG2 4.34Å; Y52-V300 WeakPolarHBondContact OH-CG2 3.47Å; L55-V300 HydrophobicContact CB-CG2 4.39Å; L55-V300 HydrophobicContact CD2-CG1 4.24Å; L55-V300 HydrophobicContact CD2-CG2 4.34Å; L55-V300 HydrophobicContact CG-CG1 4.49Å; I57-V300 HydrophobicContact CD1-CG1 3.6Å; I57-V300 HydrophobicContact CG1-CG1 4.01Å; F279-V300 HydrophobicContact CE1-CB 4.39Å; F279-V300 HydrophobicContact CE1-CG1 3.91Å; F279-V300 HydrophobicContact CZ-CG1 4Å; T295-V300 WeakPolarHBondContact CB-O 3.46Å; T295-V300 HydrophobicContact CG2-CG1 4.43Å; T295-V300 WeakPolarHBondContact CG2-O 3.3Å; T295-V300 PolarHBondContact N-O 3.28Å; T295-V300 PolarHBondContact OG1-O 2.96Å; E297-V300 HydrophobicContact CB-CB 4.3Å; E297-V300 HydrophobicContact CB-CG2 4.32Å; E297-V300 PolarHBondContact O-N 2.83Å; P298-V300 PolarHBondContact O-N 3.29Å
301	Y	98.9	Very high	98.1	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	164.3	174.3	-63.8	-102.9	0	0	0	110.6	K54 L55 C56 I57 H292 M293 M294 C336 M337 D340	K54-Y301 HydrophobicContact CB-CE2 4.48Å; K54-Y301 HydrophobicContact CD-CE2 4.37Å; L55-Y301 PolarHBondContact O-N 2.76Å; C56-Y301 CarbonylContact C-O 3.59Å; C56-Y301 WeakPolarHBondContact CA-O 3.47Å; I57-Y301 PolarHBondContact N-O 2.91Å; H292-Y301 VanDerWaalsContact O-CD1 3.3Å; H292-Y301 WeakPolarHBondContact O-CD1 3.4Å; H292-Y301 WeakPolarHBondContact O-CE1 3.29Å; M293-Y301 HydrophobicContact CB-CD1 4.3Å; M293-Y301 CarbonylContact O-C 3.59Å; M293-Y301 WeakPolarHBondContact O-CA 3.2Å; M293-Y301 WeakPolarHBondContact O-CB 3.43Å; M294-Y301 HydrophobicContact CB-CD1 4.15Å; M294-Y301 HydrophobicContact CB-CE1 4.07Å; M294-Y301 HydrophobicContact CE-CE1 4.12Å; M294-Y301 HydrophobicContact CE-CE2 4.26Å; M294-Y301 WeakPolarHBondContact CE-OH 3.41Å; M294-Y301 HydrophobicContact CG-CE1 4.48Å; Y301-C336 HydrophobicContact CD1-CB 4.45Å; Y301-C336 HydrophobicContact CE1-CB 3.82Å; Y301-M337 HydrophobicContact CD1-CG 4.11Å; Y301-M337 HydrophobicContact CD2-CG 3.52Å; Y301-M337 HydrophobicContact CD2-SD 4.32Å; Y301-M337 HydrophobicContact CE1-CG 4.13Å; Y301-M337 HydrophobicContact CE2-CB 4.41Å; Y301-M337 HydrophobicContact CE2-CG 3.54Å; Y301-M337 HydrophobicContact CG-CG 3.8Å; Y301-M337 HydrophobicContact CG-SD 4.46Å; Y301-D340 WeakPolarHBondContact OH-CB 3.31Å; Y301-D340 PolarHBondContact OH-OD2 3.19Å
302	A	98.8	Very high	98	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	150.1	168.8	0	0	0	0	0	112	I57 L287 V289 M293 T295 V306 C307	I57-A302 HydrophobicContact CB-CB 4.12Å; I57-A302 VanDerWaalsContact O-CA 3.28Å; I57-A302 WeakPolarHBondContact O-CA 3.2Å; L287-A302 HydrophobicContact CB-CB 4.41Å; L287-A302 HydrophobicContact CD1-CB 3.91Å; V289-A302 HydrophobicContact CG1-CB 3.89Å; M293-A302 PolarHBondContact O-N 3.35Å; T295-A302 HydrophobicContact CG2-CB 3.85Å; A302-V306 HydrophobicContact CB-CG1 4.37Å; A302-C307 VanDerWaalsContact C-SG 3.59Å; A302-C307 HydrophobicContact CB-CB 3.6Å
303	A	98.6	Very high	97.8	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.041	17%	0.168	C	C	.	.			trans	-143.6	146.3	-177.4	0	0	0	0	0	113.6	I57 V306 C307 M329 A333	I57-A303 PolarHBondContact O-N 2.75Å; A303-V306 WeakPolarHBondContact O-CG1 3.44Å; A303-C307 VanDerWaalsContact C-SG 3.55Å; A303-C307 WeakPolarHBondContact CA-SG 3.48Å; A303-M329 HydrophobicContact CB-CB 4.02Å; A303-A333 HydrophobicContact CB-CB 4.18Å
304	G	97.4	Very high	97.6	Very high	5 Å²	5	31.5 Å²	31.5	5%	0.052	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	71.8	-149	178.6	0	0	0	0	0	113.6	V306 C307 R321	G304-V306 PolarHBondContact O-N 2.87Å; G304-C307 PolarHBondContact O-N 3.39Å; G304-C307 PolarHBondContact O-SG 3.01Å; G304-R321 PolarHBondContact O-NH1 3.07Å
305	D	97.3	Very high	97.4	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.07	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-66.6	-5.5	-163.4	-75.2	2.3	0	0	0	116.4	G60 A61 R77 R321	G60-D305 CarbonylContact O-C 3.56Å; A61-D305 HydrophobicContact CB-CB 3.86Å; R77-D305 IonicContact CZ-OD2 3.16Å; R77-D305 VanDerWaalsContact CZ-OD2 3.24Å; R77-D305 IonicContact NH1-OD2 2.7Å; R77-D305 PolarHBondContact NH1-OD2 2.98Å; R77-D305 IonicContact NH2-OD2 3.37Å; R77-D305 PolarHBondContact NH2-OD2 3Å; D305-R321 VanDerWaalsContact OD1-CA 3.23Å; D305-R321 WeakPolarHBondContact OD1-CA 3.47Å; D305-R321 VanDerWaalsContact OD1-CD 3.28Å; D305-R321 WeakPolarHBondContact OD1-CD 3.46Å
306	V	98.2	Very high	97.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-83.5	-21.2	174	62.3	0	0	0	0	113.4	I57 S59 G60 T270 G286 L287 A302 A303 G304	I57-V306 HydrophobicContact CG2-CG1 4.24Å; I57-V306 HydrophobicContact CG2-CG2 4.01Å; I57-V306 VanDerWaalsContact O-CG1 3.25Å; I57-V306 WeakPolarHBondContact O-CG1 3.3Å; S59-V306 WeakPolarHBondContact OG-CG2 3.36Å; G60-V306 WeakPolarHBondContact O-CA 3.3Å; G60-V306 WeakPolarHBondContact O-CB 3.28Å; G60-V306 PolarHBondContact O-N 2.94Å; T270-V306 HydrophobicContact CG2-CG2 3.73Å; T270-V306 WeakPolarHBondContact CG2-O 3.32Å; G286-V306 CarbonylContact C-O 3.6Å; G286-V306 WeakPolarHBondContact CA-O 3.36Å; L287-V306 HydrophobicContact CD1-CG2 4.27Å; L287-V306 HydrophobicContact CG-CG2 4.4Å; L287-V306 PolarHBondContact N-O 3.12Å; A302-V306 HydrophobicContact CB-CG1 4.37Å; A303-V306 WeakPolarHBondContact O-CG1 3.44Å; G304-V306 PolarHBondContact O-N 2.87Å
307	C	98.6	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.7	-167.1	68.1	0	0	0	0	113.2	L287 V289 A302 A303 G304 Q319 R321 M329	L287-C307 HydrophobicContact CB-CB 4.24Å; L287-C307 CarbonylContact O-C 3.49Å; L287-C307 WeakPolarHBondContact O-CA 3.33Å; L287-C307 VanDerWaalsContact O-CB 3.31Å; L287-C307 WeakPolarHBondContact O-CB 3.29Å; V289-C307 HydrophobicContact CG1-CB 3.96Å; V289-C307 HydrophobicContact CG2-CB 4.12Å; A302-C307 VanDerWaalsContact C-SG 3.59Å; A302-C307 HydrophobicContact CB-CB 3.6Å; A303-C307 VanDerWaalsContact C-SG 3.55Å; A303-C307 WeakPolarHBondContact CA-SG 3.48Å; G304-C307 PolarHBondContact O-N 3.39Å; G304-C307 PolarHBondContact O-SG 3.01Å; C307-Q319 PolarHBondContact O-NE2 3.03Å; C307-R321 PolarHBondContact O-NH1 2.94Å; C307-R321 PolarHBondContact O-NH2 2.9Å; C307-R321 VanDerWaalsContact O-NH2 3.11Å; C307-M329 WeakPolarHBondContact SG-CE 3.29Å
308	S	98.5	Very high	96.9	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.5	-174	-61.1	0	0	0	0	109.8	A282 D284 L287 V289 C310 Q319 R321	A282-S308 VanDerWaalsContact CB-CB 3.42Å; D284-S308 PolarHBondContact OD1-OG 3.27Å; D284-S308 PolarHBondContact OD2-OG 2.99Å; L287-S308 PolarHBondContact O-N 3.37Å; V289-S308 WeakPolarHBondContact CG2-O 3.47Å; V289-S308 PolarHBondContact N-O 3.2Å; S308-C310 PolarHBondContact O-N 2.83Å; S308-C310 PolarHBondContact O-SG 3.22Å; S308-C310 VanDerWaalsContact O-SG 3.38Å; S308-Q319 VanDerWaalsContact CA-OE1 3.31Å; S308-R321 PolarHBondContact OG-NH2 2.92Å
309	A	98	Very high	96.8	Very high	9 Å²	9	32.9 Å²	32.9	7%	0.074	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	109.6	-174.4	0	0	0	0	0	110.6	W311 H313 W317	A309-W311 VanDerWaalsContact CA-CZ3 3.47Å; A309-W311 HydrophobicContact CB-CD2 4.26Å; A309-W311 HydrophobicContact CB-CE3 3.78Å; A309-W311 HydrophobicContact CB-CH2 3.24Å; A309-W311 HydrophobicContact CB-CZ2 3.76Å; A309-W311 HydrophobicContact CB-CZ3 3.28Å; A309-H313 WeakPolarHBondContact CB-NE2 3.36Å; A309-H313 PolarHBondContact O-CE1 3.42Å; A309-H313 PolarHBondContact O-NE2 3Å; A309-W317 HydrophobicContact CB-CH2 3.88Å; A309-W317 HydrophobicContact CB-CZ3 3.99Å
310	C	97.2	Very high	96.6	Very high	64 Å²	64	32.5 Å²	32.5	43%	0.432	17%	0.173	S	C	.	.			trans	-114	13.9	-172.8	-68.5	0	0	0	0	114.4	Q288 V289 S308	Q288-C310 HydrophobicContact CB-CB 4.21Å; Q288-C310 VanDerWaalsContact CG-SG 3.58Å; V289-C310 PolarHBondContact O-N 3.15Å; S308-C310 PolarHBondContact O-N 2.83Å; S308-C310 PolarHBondContact O-SG 3.22Å; S308-C310 VanDerWaalsContact O-SG 3.38Å
311	W	96	Very high	96.3	Very high	29 Å²	29	35.2 Å²	35.2	11%	0.11	18%	0.183	C	C	.	.	S	Bend	trans	-80.9	174.7	165.4	67.3	94.3	0	0	0	112.1	V289 D290 D291 M293 A309 H313 W317 F352	V289-W311 HydrophobicContact CG2-CZ3 4.22Å; D290-W311 WeakPolarHBondContact O-CZ3 3.25Å; D291-W311 HydrophobicContact CB-CB 3.86Å; D291-W311 HydrophobicContact CB-CD2 4.44Å; D291-W311 HydrophobicContact CB-CG 4.01Å; M293-W311 HydrophobicContact CE-CH2 3.46Å; M293-W311 VanDerWaalsContact CE-CH2 3.46Å; M293-W311 HydrophobicContact CE-CZ2 4.3Å; M293-W311 HydrophobicContact CE-CZ3 3.65Å; M293-W311 HydrophobicContact SD-CZ3 4.45Å; A309-W311 VanDerWaalsContact CA-CZ3 3.47Å; A309-W311 HydrophobicContact CB-CD2 4.26Å; A309-W311 HydrophobicContact CB-CE3 3.78Å; A309-W311 HydrophobicContact CB-CH2 3.24Å; A309-W311 HydrophobicContact CB-CZ2 3.76Å; A309-W311 HydrophobicContact CB-CZ3 3.28Å; W311-H313 AromaticContact NE1-CD2 3.84Å; W311-H313 PolarHBondContact O-CD2 3.31Å; W311-H313 PolarHBondContact O-N 3.01Å; W311-W317 HydrophobicContact CH2-CH2 4.25Å; W311-W317 AromaticContact CZ2-CH2 3.97Å; W311-W317 HydrophobicContact CZ2-CH2 3.97Å; W311-W317 HydrophobicContact CZ2-CZ3 4.08Å; W311-F352 HydrophobicContact CH2-CD1 4.48Å; W311-F352 HydrophobicContact CZ2-CD1 4.07Å; W311-F352 HydrophobicContact CZ2-CG 4.31Å
312	E	95.6	Very high	96	Very high	193 Å²	193	36.1 Å²	36.1	90%	0.902	19%	0.188	S	C	*	.			trans	-73.7	108.6	173.1	-175	171	-178	0	0	110.2
313	H	94.8	Very high	95.5	Very high	70 Å²	70	38.4 Å²	38.4	32%	0.324	20%	0.197	S	C	.	.			trans	-72.8	145.8	-176.7	-58.9	170.4	0	0	0	111.8	A309 W311 W317	A309-H313 WeakPolarHBondContact CB-NE2 3.36Å; A309-H313 PolarHBondContact O-CE1 3.42Å; A309-H313 PolarHBondContact O-NE2 3Å; W311-H313 AromaticContact NE1-CD2 3.84Å; W311-H313 PolarHBondContact O-CD2 3.31Å; W311-H313 PolarHBondContact O-N 3.01Å; H313-W317 HydrophobicContact CB-CE3 4.11Å; H313-W317 AromaticContact CD2-CZ3 3.92Å; H313-W317 AromaticContact CE1-CZ3 3.76Å; H313-W317 AromaticContact CG-CE3 3.77Å; H313-W317 AromaticContact CG-CZ3 3.83Å; H313-W317 AromaticContact ND1-CE3 3.84Å; H313-W317 AromaticContact ND1-CZ3 3.72Å; H313-W317 AromaticContact NE2-CZ3 3.88Å
314	S	93.9	Very high	95	Very high	20 Å²	20	38.8 Å²	38.8	14%	0.14	20%	0.199	C	C	.	.			trans	-56.4	138.7	164.6	-175	0	0	0	0	110.4	L316 W317 E353	S314-L316 PolarHBondContact O-N 2.7Å; S314-W317 PolarHBondContact O-N 3.39Å; S314-E353 WeakPolarHBondContact CB-O 3.48Å; S314-E353 WeakPolarHBondContact CB-OE2 3.43Å; S314-E353 PolarHBondContact OG-O 3.13Å; S314-E353 PolarHBondContact OG-OE2 2.73Å
315	P	93.6	Very high	94.7	Very high	103 Å²	103	38.7 Å²	38.7	67%	0.669	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-15.5	-178.7	-26	34.8	0	0	0	115.2	K371	P315-K371 WeakPolarHBondContact O-CE 3.48Å
316	L	95.4	Very high	94.6	Very high	24 Å²	24	39.9 Å²	39.9	13%	0.126	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-1.1	-179.1	-60.8	167.6	0	0	0	112.7	S314 L354 F355 G370 V404 I422	S314-L316 PolarHBondContact O-N 2.7Å; L316-L354 HydrophobicContact CB-CD1 3.98Å; L316-F355 PolarHBondContact O-N 2.78Å; L316-G370 WeakPolarHBondContact O-CA 3.3Å; L316-V404 HydrophobicContact CD2-CB 3.97Å; L316-V404 HydrophobicContact CD2-CG1 4.26Å; L316-V404 WeakPolarHBondContact CD2-O 3.4Å; L316-I422 HydrophobicContact CD1-CG2 3.76Å; L316-I422 HydrophobicContact CD2-CG2 4.12Å; L316-I422 HydrophobicContact CG-CG2 4.42Å
317	W	95.6	Very high	94.2	Very high	13 Å²	13	46 Å²	46	5%	0.049	23%	0.231	C	C	.	.			trans	-109	154.3	174.9	-170.1	92.2	0	0	0	111.4	A309 W311 H313 S314 Q319 F352	A309-W317 HydrophobicContact CB-CH2 3.88Å; A309-W317 HydrophobicContact CB-CZ3 3.99Å; W311-W317 HydrophobicContact CH2-CH2 4.25Å; W311-W317 AromaticContact CZ2-CH2 3.97Å; W311-W317 HydrophobicContact CZ2-CH2 3.97Å; W311-W317 HydrophobicContact CZ2-CZ3 4.08Å; H313-W317 HydrophobicContact CB-CE3 4.11Å; H313-W317 AromaticContact CD2-CZ3 3.92Å; H313-W317 AromaticContact CE1-CZ3 3.76Å; H313-W317 AromaticContact CG-CE3 3.77Å; H313-W317 AromaticContact CG-CZ3 3.83Å; H313-W317 AromaticContact ND1-CE3 3.84Å; H313-W317 AromaticContact ND1-CZ3 3.72Å; H313-W317 AromaticContact NE2-CZ3 3.88Å; S314-W317 PolarHBondContact O-N 3.39Å; W317-Q319 HydrophobicContact CH2-CB 3.63Å; W317-Q319 HydrophobicContact CH2-CG 3.89Å; W317-Q319 HydrophobicContact CZ2-CB 4.45Å; W317-Q319 HydrophobicContact CZ3-CB 3.95Å; W317-F352 WeakPolarHBondContact CB-O 3.27Å; W317-F352 AromaticContact CE2-CD1 3.87Å; W317-F352 HydrophobicContact CH2-CD1 4.48Å; W317-F352 AromaticContact CZ2-CD1 3.74Å; W317-F352 HydrophobicContact CZ2-CD1 3.74Å; W317-F352 HydrophobicContact CZ2-CE1 4.24Å; W317-F352 AromaticContact NE1-CD1 3.93Å
318	Q	94.4	Very high	94	Very high	48 Å²	48	47.1 Å²	47.1	22%	0.224	24%	0.237	C	C	.	.			trans	-154.1	144.7	173.1	61.8	-172.3	-20.6	0	0	109	Q325 F355 F372	Q318-Q325 PolarHBondContact O-NE2 3.01Å; Q318-F355 HydrophobicContact CG-CB 4.39Å; Q318-F355 HydrophobicContact CG-CD2 3.7Å; Q318-F355 HydrophobicContact CG-CE2 4.28Å; Q318-F355 HydrophobicContact CG-CG 4.15Å; Q318-F355 WeakPolarHBondContact O-CD2 3.46Å; Q318-F372 VanDerWaalsContact NE2-CE1 3.31Å
319	Q	95.5	Very high	93.9	Very high	46 Å²	46	46.9 Å²	46.9	22%	0.215	24%	0.235	C	C	.	.			trans	-76.5	134.3	176.6	-158.6	-179.4	13.8	0	0	111.3	C307 S308 W317	C307-Q319 PolarHBondContact O-NE2 3.03Å; S308-Q319 VanDerWaalsContact CA-OE1 3.31Å; W317-Q319 HydrophobicContact CH2-CB 3.63Å; W317-Q319 HydrophobicContact CH2-CG 3.89Å; W317-Q319 HydrophobicContact CZ2-CB 4.45Å; W317-Q319 HydrophobicContact CZ3-CB 3.95Å
320	M	94.2	Very high	93.9	Very high	32 Å²	32	48.1 Å²	48.1	16%	0.158	25%	0.248	C	C	.	.			trans	-139.6	147.3	169.5	-68.2	-176.3	65.8	0	0	110.2	T128 F129 L322 Q325 F355 F372	T128-M320 HydrophobicContact CG2-CE 3.71Å; F129-M320 HydrophobicContact CD1-CE 4.45Å; F129-M320 HydrophobicContact CE1-CE 4.01Å; F129-M320 HydrophobicContact CZ-CE 4.46Å; M320-L322 HydrophobicContact CB-CD1 3.59Å; M320-L322 HydrophobicContact CB-CG 3.74Å; M320-L322 HydrophobicContact CE-CD1 4.14Å; M320-L322 HydrophobicContact CG-CD1 4.43Å; M320-L322 PolarHBondContact O-N 3.21Å; M320-L322 HydrophobicContact SD-CD1 4.14Å; M320-Q325 PolarHBondContact O-OE1 2.96Å; M320-Q325 VanDerWaalsContact O-OE1 3.13Å; M320-F355 HydrophobicContact CB-CE2 4.09Å; M320-F355 HydrophobicContact CG-CE2 3.83Å; M320-F355 HydrophobicContact CG-CZ 4.36Å; M320-F355 HydrophobicContact SD-CE1 4.45Å; M320-F355 HydrophobicContact SD-CE2 3.49Å; M320-F355 WeakPolarHBondContact SD-CE2 3.48Å; M320-F355 HydrophobicContact SD-CZ 3.43Å; M320-F355 WeakPolarHBondContact SD-CZ 3.44Å; M320-F372 HydrophobicContact SD-CE1 4.31Å; M320-F372 HydrophobicContact SD-CZ 4.25Å
321	R	92.9	Very high	93.8	Very high	57 Å²	57	52.8 Å²	52.8	22%	0.215	26%	0.257	C	S	.	.	S	Bend	trans	-75.3	71.5	-179.5	-59.1	-66	173.1	-150.1	3.6	111.2	V266 D284 G304 D305 C307 S308	V266-R321 HydrophobicContact CG2-CB 4.19Å; V266-R321 HydrophobicContact CG2-CG 4.03Å; D284-R321 IonicContact OD1-NH2 2.7Å; D284-R321 IonicContact OD2-CZ 3.43Å; D284-R321 IonicContact OD2-NE 3.55Å; D284-R321 IonicContact OD2-NH2 2.81Å; D284-R321 PolarHBondContact OD2-NH2 3.4Å; G304-R321 PolarHBondContact O-NH1 3.07Å; D305-R321 VanDerWaalsContact OD1-CA 3.23Å; D305-R321 WeakPolarHBondContact OD1-CA 3.47Å; D305-R321 VanDerWaalsContact OD1-CD 3.28Å; D305-R321 WeakPolarHBondContact OD1-CD 3.46Å; C307-R321 PolarHBondContact O-NH1 2.94Å; C307-R321 PolarHBondContact O-NH2 2.9Å; C307-R321 VanDerWaalsContact O-NH2 3.11Å; S308-R321 PolarHBondContact OG-NH2 2.92Å
322	L	91.5	Very high	93.9	Very high	21 Å²	21	51.4 Å²	51.4	11%	0.11	25%	0.252	C	S	.	.			trans	-129	149.1	-169.9	-61.2	174.7	0	0	0	111.3	F129 M320 T324 Q325 A326 F355 H357	F129-L322 HydrophobicContact CE1-CD2 3.96Å; F129-L322 HydrophobicContact CZ-CD2 4.18Å; M320-L322 HydrophobicContact CB-CD1 3.59Å; M320-L322 HydrophobicContact CB-CG 3.74Å; M320-L322 HydrophobicContact CE-CD1 4.14Å; M320-L322 HydrophobicContact CG-CD1 4.43Å; M320-L322 PolarHBondContact O-N 3.21Å; M320-L322 HydrophobicContact SD-CD1 4.14Å; L322-T324 PolarHBondContact O-N 3.27Å; L322-Q325 PolarHBondContact O-N 3.47Å; L322-A326 PolarHBondContact O-N 3.37Å; L322-F355 HydrophobicContact CD1-CE2 4.11Å; L322-F355 HydrophobicContact CD1-CZ 3.82Å; L322-H357 HydrophobicContact CD1-CB 4.25Å
323	W	87.5	Confident	94.1	Very high	49 Å²	49	42.2 Å²	42.2	19%	0.186	21%	0.209	C	C	.	.	H	α-helix	trans	-57.5	-36.6	179.7	77.7	-101	0	0	0	112.5	E6 F8 P193 A326 R327 H357	E6-W323 VanDerWaalsContact O-CH2 3.3Å; E6-W323 WeakPolarHBondContact O-CH2 3.25Å; F8-W323 HydrophobicContact CD1-CE3 4.2Å; F8-W323 AromaticContact CD1-CH2 3.49Å; F8-W323 HydrophobicContact CD1-CH2 3.49Å; F8-W323 VanDerWaalsContact CD1-CH2 3.49Å; F8-W323 AromaticContact CD1-CZ2 3.99Å; F8-W323 HydrophobicContact CD1-CZ2 3.99Å; F8-W323 AromaticContact CD1-CZ3 3.62Å; F8-W323 HydrophobicContact CD1-CZ3 3.62Å; F8-W323 AromaticContact CE1-CD2 3.67Å; F8-W323 HydrophobicContact CE1-CD2 3.67Å; F8-W323 AromaticContact CE1-CE2 3.8Å; F8-W323 AromaticContact CE1-CE3 3.38Å; F8-W323 HydrophobicContact CE1-CE3 3.38Å; F8-W323 AromaticContact CE1-CH2 3.44Å; F8-W323 HydrophobicContact CE1-CH2 3.44Å; F8-W323 VanDerWaalsContact CE1-CH2 3.44Å; F8-W323 AromaticContact CE1-CZ2 3.7Å; F8-W323 HydrophobicContact CE1-CZ2 3.7Å; F8-W323 AromaticContact CE1-CZ3 3.27Å; F8-W323 HydrophobicContact CE1-CZ3 3.27Å; F8-W323 HydrophobicContact CZ-CD2 4.34Å; F8-W323 HydrophobicContact CZ-CE3 4.03Å; F8-W323 HydrophobicContact CZ-CZ3 4.25Å; P193-W323 HydrophobicContact CG-CD2 4.34Å; P193-W323 HydrophobicContact CG-CG 4.38Å; W323-A326 PolarHBondContact O-N 3.39Å; W323-R327 WeakPolarHBondContact O-CB 3.39Å; W323-R327 PolarHBondContact O-N 3.44Å; W323-H357 AromaticContact CD1-CE1 3.81Å; W323-H357 AromaticContact NE1-CE1 3.63Å
324	T	87.9	Confident	94.2	Very high	12 Å²	12	40.8 Å²	40.8	7%	0.074	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-48.6	179.4	47	0	0	0	0	110.9	L322 R327 Q328 H357	L322-T324 PolarHBondContact O-N 3.27Å; T324-R327 PolarHBondContact O-N 2.91Å; T324-Q328 VanDerWaalsContact O-CG 3.29Å; T324-Q328 WeakPolarHBondContact O-CG 3.49Å; T324-Q328 PolarHBondContact O-N 3.06Å; T324-H357 WeakPolarHBondContact CG2-ND1 3.42Å; T324-H357 PolarHBondContact OG1-ND1 3.39Å
325	Q	92.9	Very high	94.4	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.019	22%	0.223	C	C	.	.	H	α-helix	trans	-70.9	-39.3	179	-63.6	-164.6	6.4	0	0	112	Q318 M320 L322 R327 Q328 M329	Q318-Q325 PolarHBondContact O-NE2 3.01Å; M320-Q325 PolarHBondContact O-OE1 2.96Å; M320-Q325 VanDerWaalsContact O-OE1 3.13Å; L322-Q325 PolarHBondContact O-N 3.47Å; Q325-R327 VanDerWaalsContact C-N 3.26Å; Q325-R327 PolarHBondContact O-N 2.93Å; Q325-Q328 PolarHBondContact O-N 3.49Å; Q325-M329 WeakPolarHBondContact O-CB 3.44Å; Q325-M329 VanDerWaalsContact O-CG 3.25Å; Q325-M329 WeakPolarHBondContact O-CG 3.4Å; Q325-M329 PolarHBondContact O-N 3.08Å
326	A	93.5	Very high	94.6	Very high	38 Å²	38	39.4 Å²	39.4	31%	0.314	19%	0.191	S	C	.	.	H	α-helix	trans	-57.8	-39.9	174.9	0	0	0	0	0	112.1	L322 W323 G330	L322-A326 PolarHBondContact O-N 3.37Å; W323-A326 PolarHBondContact O-N 3.39Å; A326-G330 PolarHBondContact O-N 3.12Å
327	R	90.9	Very high	94.8	Very high	127 Å²	127	40 Å²	40	48%	0.479	19%	0.194	S	C	.	.	H	α-helix	trans	-67.5	-47.4	173.9	-179.4	175.7	175.6	-98.2	10.7	112.6	E6 W323 T324 Q325 G330 W331	E6-R327 VanDerWaalsContact CD-NH2 3.31Å; E6-R327 IonicContact OE1-CZ 3.44Å; E6-R327 IonicContact OE1-NH1 2.7Å; E6-R327 PolarHBondContact OE1-NH1 3.05Å; E6-R327 IonicContact OE1-NH2 3.22Å; E6-R327 PolarHBondContact OE1-NH2 2.74Å; E6-R327 VanDerWaalsContact OE1-NH2 3.16Å; E6-R327 IonicContact OE2-CZ 3.91Å; E6-R327 VanDerWaalsContact OE2-CZ 3.26Å; E6-R327 IonicContact OE2-NH1 3.53Å; E6-R327 PolarHBondContact OE2-NH1 2.95Å; E6-R327 IonicContact OE2-NH2 2.73Å; E6-R327 PolarHBondContact OE2-NH2 3.25Å; W323-R327 WeakPolarHBondContact O-CB 3.39Å; W323-R327 PolarHBondContact O-N 3.44Å; T324-R327 PolarHBondContact O-N 2.91Å; Q325-R327 VanDerWaalsContact C-N 3.26Å; Q325-R327 PolarHBondContact O-N 2.93Å; R327-G330 PolarHBondContact O-N 3.26Å; R327-W331 WeakPolarHBondContact O-CB 3.24Å; R327-W331 PolarHBondContact O-N 3.27Å
328	Q	93.7	Very high	94.9	Very high	25 Å²	25	41.6 Å²	41.6	12%	0.117	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-51.2	178.2	-74	165.6	-17.9	0	0	111.5	T324 Q325 G330 W331 Y332 C351 F352	T324-Q328 VanDerWaalsContact O-CG 3.29Å; T324-Q328 WeakPolarHBondContact O-CG 3.49Å; T324-Q328 PolarHBondContact O-N 3.06Å; Q325-Q328 PolarHBondContact O-N 3.49Å; Q328-G330 PolarHBondContact O-N 3.46Å; Q328-W331 PolarHBondContact O-N 3.01Å; Q328-Y332 WeakPolarHBondContact O-CB 3.45Å; Q328-Y332 PolarHBondContact O-N 3.3Å; Q328-C351 HydrophobicContact CG-CB 4.11Å; Q328-F352 HydrophobicContact CB-CE1 4.48Å; Q328-F352 HydrophobicContact CB-CZ 4.38Å
329	M	97.6	Very high	95.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-44.6	177.3	-65.3	179.9	86	0	0	111.7	V289 M293 A303 C307 Q325 W331 Y332 A333 F352	V289-M329 HydrophobicContact CG2-CE 4.31Å; M293-M329 HydrophobicContact CE-CE 4.46Å; M293-M329 HydrophobicContact SD-CB 4.13Å; M293-M329 HydrophobicContact SD-CE 3.7Å; M293-M329 HydrophobicContact SD-CG 4.16Å; A303-M329 HydrophobicContact CB-CB 4.02Å; C307-M329 WeakPolarHBondContact SG-CE 3.29Å; Q325-M329 WeakPolarHBondContact O-CB 3.44Å; Q325-M329 VanDerWaalsContact O-CG 3.25Å; Q325-M329 WeakPolarHBondContact O-CG 3.4Å; Q325-M329 PolarHBondContact O-N 3.08Å; M329-W331 PolarHBondContact O-N 3.47Å; M329-Y332 PolarHBondContact O-N 2.87Å; M329-A333 WeakPolarHBondContact O-CB 3.4Å; M329-A333 PolarHBondContact O-N 3.33Å; M329-F352 HydrophobicContact CG-CE1 3.95Å; M329-F352 HydrophobicContact CG-CZ 4.12Å
330	G	97	Very high	95.2	Very high	34 Å²	34	40 Å²	40	35%	0.351	21%	0.206	S	C	.	.	H	α-helix	trans	-63.4	-41.5	179.2	0	0	0	0	0	113.2	A326 R327 Q328 G334	A326-G330 PolarHBondContact O-N 3.12Å; R327-G330 PolarHBondContact O-N 3.26Å; Q328-G330 PolarHBondContact O-N 3.46Å; G330-G334 PolarHBondContact O-N 2.74Å
331	W	95.7	Very high	95.3	Very high	163 Å²	163	42.8 Å²	42.8	62%	0.617	22%	0.22	S	C	*	.	H	α-helix	trans	-68.8	-42.3	177.5	-172.5	75.9	0	0	0	112.3	R327 Q328 M329 G334 R335	R327-W331 WeakPolarHBondContact O-CB 3.24Å; R327-W331 PolarHBondContact O-N 3.27Å; Q328-W331 PolarHBondContact O-N 3.01Å; M329-W331 PolarHBondContact O-N 3.47Å; W331-G334 PolarHBondContact O-N 2.85Å; W331-R335 VanDerWaalsContact CH2-NH1 3.32Å; W331-R335 PolarHBondContact O-N 2.84Å
332	Y	98.1	Very high	95.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-72.3	-38.2	179.5	179	-106.7	0	0	0	112.8	D291 M293 Q328 M329 G334 R335 C336 I346 D347 L348 D349 F352	D291-Y332 WeakPolarHBondContact O-CE1 3.31Å; D291-Y332 PolarHBondContact O-OH 3.11Å; M293-Y332 HydrophobicContact CE-CD1 3.66Å; M293-Y332 HydrophobicContact CE-CE1 3.96Å; M293-Y332 HydrophobicContact CG-CD1 3.6Å; M293-Y332 HydrophobicContact CG-CE1 4.03Å; M293-Y332 HydrophobicContact SD-CD1 4.37Å; Q328-Y332 WeakPolarHBondContact O-CB 3.45Å; Q328-Y332 PolarHBondContact O-N 3.3Å; M329-Y332 PolarHBondContact O-N 2.87Å; Y332-G334 VanDerWaalsContact C-N 3.29Å; Y332-G334 PolarHBondContact O-N 2.92Å; Y332-R335 WeakPolarHBondContact O-CA 3.25Å; Y332-R335 WeakPolarHBondContact O-CB 3.49Å; Y332-R335 PolarHBondContact O-N 2.82Å; Y332-C336 WeakPolarHBondContact CE1-SG 3.33Å; Y332-C336 PolarHBondContact O-N 3.05Å; Y332-C336 PolarHBondContact O-SG 3.49Å; Y332-I346 HydrophobicContact CD2-CD1 4.39Å; Y332-I346 HydrophobicContact CE2-CD1 3.82Å; Y332-I346 HydrophobicContact CE2-CG1 4.07Å; Y332-D347 PolarHBondContact OH-O 3.49Å; Y332-L348 HydrophobicContact CE1-CD1 3.85Å; Y332-L348 WeakPolarHBondContact OH-CA 3.38Å; Y332-D349 HydrophobicContact CD2-CB 3.59Å; Y332-D349 HydrophobicContact CE2-CB 3.98Å; Y332-D349 HydrophobicContact CG-CB 4.24Å; Y332-F352 AromaticContact CD1-CE2 3.77Å; Y332-F352 HydrophobicContact CD1-CE2 3.77Å; Y332-F352 HydrophobicContact CD1-CZ 4.37Å; Y332-F352 HydrophobicContact CE1-CE2 4.38Å; Y332-F352 AromaticContact CG-CE2 3.89Å; Y332-F352 HydrophobicContact CG-CE2 3.89Å
333	A	98.5	Very high	95.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.4	-42	172.7	0	0	0	0	0	111.8	M293 A303 M329 R335 C336 M337	M293-A333 HydrophobicContact CB-CB 3.79Å; M293-A333 HydrophobicContact CG-CB 3.97Å; A303-A333 HydrophobicContact CB-CB 4.18Å; M329-A333 WeakPolarHBondContact O-CB 3.4Å; M329-A333 PolarHBondContact O-N 3.33Å; A333-R335 VanDerWaalsContact C-N 3.3Å; A333-R335 PolarHBondContact O-N 2.72Å; A333-C336 PolarHBondContact O-N 2.66Å; A333-M337 VanDerWaalsContact O-CG 3.31Å; A333-M337 WeakPolarHBondContact O-CG 3.16Å; A333-M337 PolarHBondContact O-N 2.7Å
334	G	97.9	Very high	96.3	Very high	39 Å²	39	52.9 Å²	52.9	40%	0.402	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-34.9	174	0	0	0	0	0	113.6	G330 W331 Y332 A338	G330-G334 PolarHBondContact O-N 2.74Å; W331-G334 PolarHBondContact O-N 2.85Å; Y332-G334 VanDerWaalsContact C-N 3.29Å; Y332-G334 PolarHBondContact O-N 2.92Å; G334-A338 PolarHBondContact O-N 3.45Å
335	R	98.1	Very high	96.7	Very high	92 Å²	92	58.5 Å²	58.5	35%	0.347	32%	0.324	S	S	.	.	H	α-helix	trans	-70.8	-39.4	172.8	-71.6	176	56.4	-159.1	-9.1	112.3	W331 Y332 A333 A338 A339 I346 D349	W331-R335 VanDerWaalsContact CH2-NH1 3.32Å; W331-R335 PolarHBondContact O-N 2.84Å; Y332-R335 WeakPolarHBondContact O-CA 3.25Å; Y332-R335 WeakPolarHBondContact O-CB 3.49Å; Y332-R335 PolarHBondContact O-N 2.82Å; A333-R335 VanDerWaalsContact C-N 3.3Å; A333-R335 PolarHBondContact O-N 2.72Å; R335-A338 PolarHBondContact O-N 3Å; R335-A339 WeakPolarHBondContact O-CB 3.49Å; R335-A339 PolarHBondContact O-N 3.18Å; R335-I346 HydrophobicContact CB-CD1 3.66Å; R335-D349 IonicContact CZ-OD2 3.07Å; R335-D349 IonicContact NH1-OD2 2.64Å; R335-D349 PolarHBondContact NH1-OD2 3.01Å
336	C	98.5	Very high	96.9	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.014	33%	0.328	C	S	.	.	H	α-helix	trans	-64.3	-46	177.7	-62.3	0	0	0	0	111.8	H292 Y301 Y332 A333 A338 A339 D340	H292-C336 HydrophobicContact CB-CB 4.46Å; H292-C336 WeakPolarHBondContact O-CB 3.18Å; H292-C336 PolarHBondContact O-SG 3.33Å; H292-C336 VanDerWaalsContact O-SG 3.35Å; Y301-C336 HydrophobicContact CD1-CB 4.45Å; Y301-C336 HydrophobicContact CE1-CB 3.82Å; Y332-C336 WeakPolarHBondContact CE1-SG 3.33Å; Y332-C336 PolarHBondContact O-N 3.05Å; Y332-C336 PolarHBondContact O-SG 3.49Å; A333-C336 PolarHBondContact O-N 2.66Å; C336-A338 VanDerWaalsContact C-N 3.29Å; C336-A338 PolarHBondContact O-N 3.31Å; C336-A339 PolarHBondContact O-N 3.16Å; C336-D340 WeakPolarHBondContact O-CB 3.44Å; C336-D340 PolarHBondContact O-N 2.7Å
337	M	98.4	Very high	97	Very high	37 Å²	37	64.5 Å²	64.5	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-57.8	-41.1	174.2	-68	169.9	79.1	0	0	112.1	K54 C56 Y301 A333 I341	K54-M337 HydrophobicContact CB-CE 3.6Å; C56-M337 HydrophobicContact CB-CE 4.24Å; C56-M337 HydrophobicContact CB-SD 3.74Å; Y301-M337 HydrophobicContact CD1-CG 4.11Å; Y301-M337 HydrophobicContact CD2-CG 3.52Å; Y301-M337 HydrophobicContact CD2-SD 4.32Å; Y301-M337 HydrophobicContact CE1-CG 4.13Å; Y301-M337 HydrophobicContact CE2-CB 4.41Å; Y301-M337 HydrophobicContact CE2-CG 3.54Å; Y301-M337 HydrophobicContact CG-CG 3.8Å; Y301-M337 HydrophobicContact CG-SD 4.46Å; A333-M337 VanDerWaalsContact O-CG 3.31Å; A333-M337 WeakPolarHBondContact O-CG 3.16Å; A333-M337 PolarHBondContact O-N 2.7Å; M337-I341 WeakPolarHBondContact O-CD1 3.36Å; M337-I341 VanDerWaalsContact O-CG1 3.25Å; M337-I341 WeakPolarHBondContact O-CG1 3.46Å; M337-I341 PolarHBondContact O-N 2.84Å; M337-I341 VanDerWaalsContact O-N 3.16Å
338	A	97.8	Very high	97.2	Very high	46 Å²	46	61 Å²	61	38%	0.38	34%	0.34	S	S	.	.	H	α-helix	trans	-68.7	-43.2	177.8	0	0	0	0	0	112.3	G334 R335 C336 I341 L342	G334-A338 PolarHBondContact O-N 3.45Å; R335-A338 PolarHBondContact O-N 3Å; C336-A338 VanDerWaalsContact C-N 3.29Å; C336-A338 PolarHBondContact O-N 3.31Å; A338-I341 PolarHBondContact O-N 3.47Å; A338-L342 WeakPolarHBondContact O-CB 3.26Å; A338-L342 VanDerWaalsContact O-CG 3.28Å; A338-L342 WeakPolarHBondContact O-CG 3.46Å; A338-L342 PolarHBondContact O-N 3.35Å
339	A	98.1	Very high	97.2	Very high	8 Å²	8	61.4 Å²	61.4	7%	0.066	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-44.8	177.9	0	0	0	0	0	111.7	R335 C336 L342 S343 E344 I346	R335-A339 WeakPolarHBondContact O-CB 3.49Å; R335-A339 PolarHBondContact O-N 3.18Å; C336-A339 PolarHBondContact O-N 3.16Å; A339-L342 CarbonylContact O-C 3.37Å; A339-L342 PolarHBondContact O-N 3.21Å; A339-S343 WeakPolarHBondContact O-CA 3.32Å; A339-S343 PolarHBondContact O-N 2.97Å; A339-E344 PolarHBondContact O-N 3.4Å; A339-I346 HydrophobicContact CB-CB 3.94Å; A339-I346 HydrophobicContact CB-CD1 4.48Å; A339-I346 HydrophobicContact CB-CG2 3.9Å
340	D	97.6	Very high	97	Very high	54 Å²	54	67.2 Å²	67.2	29%	0.289	37%	0.369	S	S	.	.	H	α-helix	trans	-58.2	-51.5	175.4	179.5	-0.3	0	0	0	111.7	K54 Y301 C336 L342 S343	K54-D340 WeakPolarHBondContact CE-OD2 3.31Å; K54-D340 IonicContact NZ-OD1 2.66Å; K54-D340 PolarHBondContact NZ-OD1 2.74Å; K54-D340 IonicContact NZ-OD2 3.24Å; K54-D340 PolarHBondContact NZ-OD2 2.89Å; Y301-D340 WeakPolarHBondContact OH-CB 3.31Å; Y301-D340 PolarHBondContact OH-OD2 3.19Å; C336-D340 WeakPolarHBondContact O-CB 3.44Å; C336-D340 PolarHBondContact O-N 2.7Å; D340-L342 VanDerWaalsContact C-N 3.27Å; D340-L342 PolarHBondContact O-N 3.44Å; D340-S343 PolarHBondContact O-N 3.49Å
341	I	96.9	Very high	96.7	Very high	89 Å²	89	66.4 Å²	66.4	46%	0.456	36%	0.358	S	S	.	.	H	α-helix	trans	-57.1	-39.1	175.8	-70	167.4	0	0	0	112	K54 M337 A338 S343	K54-I341 HydrophobicContact CG-CD1 3.86Å; K54-I341 HydrophobicContact CG-CG1 3.89Å; M337-I341 WeakPolarHBondContact O-CD1 3.36Å; M337-I341 VanDerWaalsContact O-CG1 3.25Å; M337-I341 WeakPolarHBondContact O-CG1 3.46Å; M337-I341 PolarHBondContact O-N 2.84Å; M337-I341 VanDerWaalsContact O-N 3.16Å; A338-I341 PolarHBondContact O-N 3.47Å; I341-S343 VanDerWaalsContact C-N 3.32Å
342	L	97.6	Very high	96.7	Very high	108 Å²	108	58.7 Å²	58.7	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-82.6	-7.2	179	-64.9	174.3	0	0	0	113.6	A338 A339 D340 E344	A338-L342 WeakPolarHBondContact O-CB 3.26Å; A338-L342 VanDerWaalsContact O-CG 3.28Å; A338-L342 WeakPolarHBondContact O-CG 3.46Å; A338-L342 PolarHBondContact O-N 3.35Å; A339-L342 CarbonylContact O-C 3.37Å; A339-L342 PolarHBondContact O-N 3.21Å; D340-L342 VanDerWaalsContact C-N 3.27Å; D340-L342 PolarHBondContact O-N 3.44Å; L342-E344 HydrophobicContact CB-CB 4.4Å; L342-E344 HydrophobicContact CB-CG 3.83Å; L342-E344 PolarHBondContact O-N 2.98Å
343	S	96.9	Very high	96.5	Very high	113 Å²	113	62.7 Å²	62.7	79%	0.79	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	36.1	-168.7	-56	0	0	0	0	113.3	A339 D340 I341	A339-S343 WeakPolarHBondContact O-CA 3.32Å; A339-S343 PolarHBondContact O-N 2.97Å; D340-S343 PolarHBondContact O-N 3.49Å; I341-S343 VanDerWaalsContact C-N 3.32Å
344	E	97.6	Very high	96.3	Very high	119 Å²	119	62.7 Å²	62.7	56%	0.556	35%	0.347	S	S	*	.			trans	-95.7	144.5	176	-69.6	-177.7	171.1	0	0	110.8	A339 L342	A339-E344 PolarHBondContact O-N 3.4Å; L342-E344 HydrophobicContact CB-CB 4.4Å; L342-E344 HydrophobicContact CB-CG 3.83Å; L342-E344 PolarHBondContact O-N 2.98Å
345	P	96.9	Very high	96.2	Very high	130 Å²	130	60.9 Å²	60.9	84%	0.844	33%	0.328	S	S	*	.			trans	-72	144.9	172.5	31.3	-34.3	0	0	0	111
346	I	97.1	Very high	96	Very high	24 Å²	24	56.7 Å²	56.7	12%	0.123	31%	0.313	C	S	.	.			trans	-135.8	133.8	171.5	-172.8	166.2	0	0	0	109.3	Y332 R335 A339	Y332-I346 HydrophobicContact CD2-CD1 4.39Å; Y332-I346 HydrophobicContact CE2-CD1 3.82Å; Y332-I346 HydrophobicContact CE2-CG1 4.07Å; R335-I346 HydrophobicContact CB-CD1 3.66Å; A339-I346 HydrophobicContact CB-CB 3.94Å; A339-I346 HydrophobicContact CB-CD1 4.48Å; A339-I346 HydrophobicContact CB-CG2 3.9Å
347	D	95.9	Very high	95.6	Very high	143 Å²	143	56.9 Å²	56.9	77%	0.765	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-95.2	152.5	172.2	-59.9	-55.6	0	0	0	110.1	Y332 D349	Y332-D347 PolarHBondContact OH-O 3.49Å; D347-D349 PolarHBondContact O-N 3.42Å
348	L	95.4	Very high	95.2	Very high	53 Å²	53	55.8 Å²	55.8	28%	0.277	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-53.1	128.8	175.6	-174.7	65.1	0	0	0	110.9	D291 Y332 F352	D291-L348 HydrophobicContact CB-CD1 4.27Å; Y332-L348 HydrophobicContact CE1-CD1 3.85Å; Y332-L348 WeakPolarHBondContact OH-CA 3.38Å; L348-F352 HydrophobicContact CD1-CB 4.3Å; L348-F352 HydrophobicContact CD1-CD2 3.44Å; L348-F352 VanDerWaalsContact CD1-CD2 3.44Å; L348-F352 HydrophobicContact CD1-CE2 4.03Å; L348-F352 HydrophobicContact CD1-CG 4.05Å; L348-F352 HydrophobicContact CD2-CB 4.02Å; L348-F352 HydrophobicContact CG-CB 4.1Å; L348-F352 HydrophobicContact CG-CD2 3.91Å; L348-F352 HydrophobicContact CG-CG 4.35Å
349	D	94.3	Very high	94.7	Very high	34 Å²	34	54.3 Å²	54.3	18%	0.182	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-66	139.1	-174.6	-167.5	-82.1	0	0	0	112.1	Y332 R335 D347 C351 F352	Y332-D349 HydrophobicContact CD2-CB 3.59Å; Y332-D349 HydrophobicContact CE2-CB 3.98Å; Y332-D349 HydrophobicContact CG-CB 4.24Å; R335-D349 IonicContact CZ-OD2 3.07Å; R335-D349 IonicContact NH1-OD2 2.64Å; R335-D349 PolarHBondContact NH1-OD2 3.01Å; D347-D349 PolarHBondContact O-N 3.42Å; D349-C351 PolarHBondContact O-N 2.84Å; D349-C351 PolarHBondContact OD1-N 3.15Å; D349-C351 PolarHBondContact OD1-SG 2.99Å; D349-F352 HydrophobicContact CB-CD2 4.2Å; D349-F352 HydrophobicContact CB-CE2 4.23Å; D349-F352 WeakPolarHBondContact O-CD2 3.21Å; D349-F352 PolarHBondContact O-N 3.04Å
350	F	92	Very high	94.3	Very high	123 Å²	123	57.3 Å²	57.3	54%	0.539	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-53.3	-24.7	-177.9	-171.2	-126	0	0	0	113.4	R4 F352 E353 L423	R4-F350 PolarHBondContact NH1-O 3.2Å; R4-F350 VanDerWaalsContact NH2-CZ 3.26Å; R4-F350 PolarHBondContact NH2-O 2.92Å; F350-F352 PolarHBondContact O-N 2.7Å; F350-F352 VanDerWaalsContact O-N 3.12Å; F350-E353 HydrophobicContact CD2-CB 4.08Å; F350-E353 HydrophobicContact CD2-CG 3.65Å; F350-E353 HydrophobicContact CE2-CB 4.15Å; F350-E353 HydrophobicContact CE2-CG 3.97Å; F350-E353 WeakPolarHBondContact O-CB 3.46Å; F350-E353 PolarHBondContact O-N 3.22Å; F350-L423 HydrophobicContact CE1-CD1 4.26Å; F350-L423 HydrophobicContact CE2-CD2 4.47Å; F350-L423 HydrophobicContact CZ-CD1 3.99Å; F350-L423 HydrophobicContact CZ-CD2 4.07Å
351	C	91.2	Very high	94	Very high	17 Å²	17	54.9 Å²	54.9	12%	0.115	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-56.9	-22	173.4	66.5	0	0	0	0	114.5	R4 Q328 D349	R4-C351 PolarHBondContact NH1-O 3.29Å; Q328-C351 HydrophobicContact CG-CB 4.11Å; D349-C351 PolarHBondContact O-N 2.84Å; D349-C351 PolarHBondContact OD1-N 3.15Å; D349-C351 PolarHBondContact OD1-SG 2.99Å
352	F	94.9	Very high	93.7	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-87.3	1.1	175.6	-57.5	-69.5	0	0	0	114.7	M293 W311 W317 Q328 M329 Y332 L348 D349 F350	M293-F352 HydrophobicContact CE-CE1 4.17Å; M293-F352 HydrophobicContact CE-CE2 3.94Å; M293-F352 HydrophobicContact CE-CZ 3.65Å; W311-F352 HydrophobicContact CH2-CD1 4.48Å; W311-F352 HydrophobicContact CZ2-CD1 4.07Å; W311-F352 HydrophobicContact CZ2-CG 4.31Å; W317-F352 WeakPolarHBondContact CB-O 3.27Å; W317-F352 AromaticContact CE2-CD1 3.87Å; W317-F352 HydrophobicContact CH2-CD1 4.48Å; W317-F352 AromaticContact CZ2-CD1 3.74Å; W317-F352 HydrophobicContact CZ2-CD1 3.74Å; W317-F352 HydrophobicContact CZ2-CE1 4.24Å; W317-F352 AromaticContact NE1-CD1 3.93Å; Q328-F352 HydrophobicContact CB-CE1 4.48Å; Q328-F352 HydrophobicContact CB-CZ 4.38Å; M329-F352 HydrophobicContact CG-CE1 3.95Å; M329-F352 HydrophobicContact CG-CZ 4.12Å; Y332-F352 AromaticContact CD1-CE2 3.77Å; Y332-F352 HydrophobicContact CD1-CE2 3.77Å; Y332-F352 HydrophobicContact CD1-CZ 4.37Å; Y332-F352 HydrophobicContact CE1-CE2 4.38Å; Y332-F352 AromaticContact CG-CE2 3.89Å; Y332-F352 HydrophobicContact CG-CE2 3.89Å; L348-F352 HydrophobicContact CD1-CB 4.3Å; L348-F352 HydrophobicContact CD1-CD2 3.44Å; L348-F352 VanDerWaalsContact CD1-CD2 3.44Å; L348-F352 HydrophobicContact CD1-CE2 4.03Å; L348-F352 HydrophobicContact CD1-CG 4.05Å; L348-F352 HydrophobicContact CD2-CB 4.02Å; L348-F352 HydrophobicContact CG-CB 4.1Å; L348-F352 HydrophobicContact CG-CD2 3.91Å; L348-F352 HydrophobicContact CG-CG 4.35Å; D349-F352 HydrophobicContact CB-CD2 4.2Å; D349-F352 HydrophobicContact CB-CE2 4.23Å; D349-F352 WeakPolarHBondContact O-CD2 3.21Å; D349-F352 PolarHBondContact O-N 3.04Å; F350-F352 PolarHBondContact O-N 2.7Å; F350-F352 VanDerWaalsContact O-N 3.12Å
353	E	94.4	Very high	93.2	Very high	83 Å²	83	50.4 Å²	50.4	39%	0.388	27%	0.272	S	S	.	.	S	Bend	trans	-79.9	-25.7	175.8	-74.7	-61.8	162	0	0	114.6	S314 F350	S314-E353 WeakPolarHBondContact CB-O 3.48Å; S314-E353 WeakPolarHBondContact CB-OE2 3.43Å; S314-E353 PolarHBondContact OG-O 3.13Å; S314-E353 PolarHBondContact OG-OE2 2.73Å; F350-E353 HydrophobicContact CD2-CB 4.08Å; F350-E353 HydrophobicContact CD2-CG 3.65Å; F350-E353 HydrophobicContact CE2-CB 4.15Å; F350-E353 HydrophobicContact CE2-CG 3.97Å; F350-E353 WeakPolarHBondContact O-CB 3.46Å; F350-E353 PolarHBondContact O-N 3.22Å
354	L	94.9	Very high	92.9	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.242	C	C	.	.	S	Bend	trans	-143.2	128.5	-174.4	173.3	62.2	0	0	0	109.2	R4 L316 S356 G370 E419 I422 L423	R4-L354 PolarHBondContact NH1-O 2.94Å; L316-L354 HydrophobicContact CB-CD1 3.98Å; L354-S356 PolarHBondContact O-N 3.03Å; L354-G370 VanDerWaalsContact CD1-CA 3.47Å; L354-E419 HydrophobicContact CD2-CG 3.56Å; L354-I422 HydrophobicContact CD1-CG2 3.63Å; L354-I422 HydrophobicContact CD2-CG2 4.3Å; L354-L423 HydrophobicContact CB-CD2 3.93Å; L354-L423 HydrophobicContact CD2-CD1 4.34Å; L354-L423 HydrophobicContact CD2-CD2 4.07Å; L354-L423 HydrophobicContact CD2-CG 3.95Å
355	F	95.6	Very high	92.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.			trans	-64.1	119.3	168.1	-178.4	-88.4	0	0	0	109.4	L316 Q318 M320 L322 H357 L368 L369 G370 F372	L316-F355 PolarHBondContact O-N 2.78Å; Q318-F355 HydrophobicContact CG-CB 4.39Å; Q318-F355 HydrophobicContact CG-CD2 3.7Å; Q318-F355 HydrophobicContact CG-CE2 4.28Å; Q318-F355 HydrophobicContact CG-CG 4.15Å; Q318-F355 WeakPolarHBondContact O-CD2 3.46Å; M320-F355 HydrophobicContact CB-CE2 4.09Å; M320-F355 HydrophobicContact CG-CE2 3.83Å; M320-F355 HydrophobicContact CG-CZ 4.36Å; M320-F355 HydrophobicContact SD-CE1 4.45Å; M320-F355 HydrophobicContact SD-CE2 3.49Å; M320-F355 WeakPolarHBondContact SD-CE2 3.48Å; M320-F355 HydrophobicContact SD-CZ 3.43Å; M320-F355 WeakPolarHBondContact SD-CZ 3.44Å; L322-F355 HydrophobicContact CD1-CE2 4.11Å; L322-F355 HydrophobicContact CD1-CZ 3.82Å; F355-H357 HydrophobicContact CE1-CB 3.9Å; F355-H357 HydrophobicContact CZ-CB 3.9Å; F355-L368 HydrophobicContact CE1-CB 3.93Å; F355-L369 CarbonylContact O-C 3.15Å; F355-L369 WeakPolarHBondContact O-CA 3.49Å; F355-G370 PolarHBondContact O-N 3.1Å; F355-F372 AromaticContact CD1-CD1 3.79Å; F355-F372 HydrophobicContact CD1-CD1 3.79Å; F355-F372 AromaticContact CD1-CE1 3.79Å; F355-F372 HydrophobicContact CD1-CE1 3.79Å; F355-F372 AromaticContact CE1-CD1 3.73Å; F355-F372 HydrophobicContact CE1-CD1 3.73Å; F355-F372 AromaticContact CE1-CE1 3.38Å; F355-F372 HydrophobicContact CE1-CE1 3.38Å; F355-F372 HydrophobicContact CE1-CZ 4.43Å; F355-F372 AromaticContact CZ-CE1 3.92Å; F355-F372 HydrophobicContact CZ-CE1 3.92Å
356	S	93	Very high	92.4	Very high	5 Å²	5	37 Å²	37	4%	0.035	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.8	173.4	60.5	0	0	0	0	109.8	L354 L368	L354-S356 PolarHBondContact O-N 3.03Å; S356-L368 WeakPolarHBondContact CA-O 3.35Å
357	H	92.1	Very high	92.3	Very high	5 Å²	5	36 Å²	36	2%	0.023	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	131.6	175.8	-173.9	64.8	0	0	0	111.5	L322 W323 T324 F355 V367 L368	L322-H357 HydrophobicContact CD1-CB 4.25Å; W323-H357 AromaticContact CD1-CE1 3.81Å; W323-H357 AromaticContact NE1-CE1 3.63Å; T324-H357 WeakPolarHBondContact CG2-ND1 3.42Å; T324-H357 PolarHBondContact OG1-ND1 3.39Å; F355-H357 HydrophobicContact CE1-CB 3.9Å; F355-H357 HydrophobicContact CZ-CB 3.9Å; H357-V367 WeakPolarHBondContact O-CA 3.31Å; H357-L368 HydrophobicContact CB-CB 4.49Å; H357-L368 PolarHBondContact N-O 2.7Å; H357-L368 PolarHBondContact O-N 3.32Å
358	V	88.7	Confident	92.3	Very high	15 Å²	15	29.1 Å²	29.1	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.7	170.6	-174.2	0	0	0	0	108.3	L5 E7 V366 V367	L5-V358 HydrophobicContact CB-CG2 4.09Å; L5-V358 HydrophobicContact CD2-CG2 3.57Å; L5-V358 HydrophobicContact CG-CG2 4.39Å; E7-V358 HydrophobicContact CG-CG1 4.14Å; V358-V366 WeakPolarHBondContact CA-O 3.17Å; V358-V367 HydrophobicContact CG1-CG2 4.34Å; V358-V367 HydrophobicContact CG2-CG1 4.31Å; V358-V367 HydrophobicContact CG2-CG2 4.18Å
359	T	88.6	Confident	92.3	Very high	14 Å²	14	26.6 Å²	26.6	9%	0.086	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	-179.6	173.6	-168.7	0	0	0	0	110.3	F361 V366	T359-F361 HydrophobicContact CG2-CD2 3.82Å; T359-F361 HydrophobicContact CG2-CE1 4.33Å; T359-F361 HydrophobicContact CG2-CE2 3.43Å; T359-F361 VanDerWaalsContact CG2-CE2 3.43Å; T359-F361 HydrophobicContact CG2-CG 4.45Å; T359-F361 HydrophobicContact CG2-CZ 3.72Å; T359-V366 HydrophobicContact CG2-CB 4.08Å; T359-V366 HydrophobicContact CG2-CG1 4.31Å; T359-V366 PolarHBondContact N-O 3.03Å; T359-V366 PolarHBondContact O-N 3.22Å
360	K	88.3	Confident	92.4	Very high	71 Å²	71	25 Å²	25	31%	0.309	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	116.9	179.4	-166.8	166.4	-177.5	166.9	0	110.4	N363 Y364	K360-N363 WeakPolarHBondContact CE-O 3.12Å; K360-N363 WeakPolarHBondContact CE-OD1 3.3Å; K360-N363 PolarHBondContact NZ-OD1 2.84Å; K360-Y364 CarbonylContact C-O 3.58Å; K360-Y364 VanDerWaalsContact CA-O 3.31Å; K360-Y364 WeakPolarHBondContact CA-O 2.99Å; K360-Y364 WeakPolarHBondContact CG-O 3.41Å
361	F	91.6	Very high	92.6	Very high	3 Å²	3	21.2 Å²	21.2	1%	0.013	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.8	176	-63.2	-46.5	0	0	0	110.2	L105 E106 F129 F130 T359 N363 Y364 V366	L105-F361 HydrophobicContact CB-CD1 3.83Å; L105-F361 HydrophobicContact CB-CE1 4.03Å; L105-F361 HydrophobicContact CB-CG 4.31Å; L105-F361 HydrophobicContact CD1-CD1 4.3Å; L105-F361 HydrophobicContact CD1-CD2 4.09Å; L105-F361 HydrophobicContact CD1-CE1 4.11Å; L105-F361 HydrophobicContact CD1-CE2 3.85Å; L105-F361 HydrophobicContact CD1-CG 4.31Å; L105-F361 HydrophobicContact CD1-CZ 3.87Å; E106-F361 HydrophobicContact CG-CD1 3.9Å; E106-F361 HydrophobicContact CG-CE1 3.86Å; F129-F361 HydrophobicContact CB-CE2 4.23Å; F129-F361 HydrophobicContact CD1-CE2 4.17Å; F129-F361 AromaticContact CD2-CE2 3.99Å; F129-F361 HydrophobicContact CD2-CE2 3.99Å; F129-F361 HydrophobicContact CD2-CZ 4.17Å; F129-F361 HydrophobicContact CE2-CE2 4.45Å; F129-F361 HydrophobicContact CE2-CZ 4.18Å; F129-F361 AromaticContact CG-CE2 3.85Å; F129-F361 HydrophobicContact CG-CE2 3.85Å; F129-F361 HydrophobicContact CG-CZ 4.37Å; F129-F361 HydrophobicContact CZ-CZ 4.34Å; F130-F361 HydrophobicContact CE2-CB 4.46Å; F130-F361 AromaticContact CE2-CD2 3.74Å; F130-F361 HydrophobicContact CE2-CD2 3.74Å; F130-F361 HydrophobicContact CE2-CE2 4.42Å; F130-F361 HydrophobicContact CE2-CG 4.45Å; F130-F361 HydrophobicContact CZ-CB 4.38Å; F130-F361 AromaticContact CZ-CD2 3.63Å; F130-F361 HydrophobicContact CZ-CD2 3.63Å; F130-F361 HydrophobicContact CZ-CE2 4.43Å; F130-F361 HydrophobicContact CZ-CG 4.46Å; T359-F361 HydrophobicContact CG2-CD2 3.82Å; T359-F361 HydrophobicContact CG2-CE1 4.33Å; T359-F361 HydrophobicContact CG2-CE2 3.43Å; T359-F361 VanDerWaalsContact CG2-CE2 3.43Å; T359-F361 HydrophobicContact CG2-CG 4.45Å; T359-F361 HydrophobicContact CG2-CZ 3.72Å; F361-N363 PolarHBondContact O-N 2.93Å; F361-N363 VanDerWaalsContact O-N 3.17Å; F361-Y364 PolarHBondContact N-O 2.83Å; F361-Y364 PolarHBondContact O-N 2.78Å; F361-V366 HydrophobicContact CB-CG2 4.2Å; F361-V366 HydrophobicContact CD2-CB 4.48Å; F361-V366 HydrophobicContact CD2-CG1 4.43Å; F361-V366 HydrophobicContact CD2-CG2 4.21Å
362	F	90.5	Very high	92.8	Very high	3 Å²	3	20.4 Å²	20.4	1%	0.013	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	33.3	-178.7	-48.3	-87.7	0	0	0	114.2	L105 Y109 I125 L138 L142 Y364	L105-F362 HydrophobicContact CD2-CE2 3.71Å; L105-F362 HydrophobicContact CD2-CZ 3.7Å; Y109-F362 HydrophobicContact CD2-CB 4.05Å; Y109-F362 AromaticContact CD2-CD1 3.66Å; Y109-F362 HydrophobicContact CD2-CD1 3.66Å; Y109-F362 HydrophobicContact CD2-CG 4.27Å; Y109-F362 HydrophobicContact CE2-CB 4.21Å; Y109-F362 HydrophobicContact CG-CB 4.38Å; Y109-F362 HydrophobicContact CG-CD1 4.01Å; Y109-F362 HydrophobicContact CG-CG 4.48Å; I125-F362 HydrophobicContact CD1-CZ 3.97Å; L138-F362 HydrophobicContact CB-CD2 3.8Å; L138-F362 HydrophobicContact CB-CE2 4Å; L138-F362 HydrophobicContact CB-CG 4.25Å; L138-F362 HydrophobicContact CD1-CD2 3.8Å; L138-F362 HydrophobicContact CD1-CE2 3.9Å; L138-F362 HydrophobicContact CD2-CB 4.18Å; L138-F362 HydrophobicContact CD2-CD2 3.84Å; L138-F362 HydrophobicContact CD2-CG 4.32Å; L138-F362 HydrophobicContact CG-CD2 4.01Å; L138-F362 HydrophobicContact CG-CE2 4.41Å; L142-F362 HydrophobicContact CD2-CD1 4.23Å; L142-F362 HydrophobicContact CD2-CE1 3.74Å; L142-F362 HydrophobicContact CG-CD1 4.43Å; L142-F362 HydrophobicContact CG-CE1 3.99Å; F362-Y364 HydrophobicContact CB-CD2 4.38Å; F362-Y364 WeakPolarHBondContact O-CD2 3.29Å; F362-Y364 PolarHBondContact O-N 3.2Å
363	N	87.2	Confident	92.6	Very high	101 Å²	101	22.3 Å²	22.3	54%	0.54	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	3.5	-171.4	-166.7	49.5	0	0	0	116.4	Y109 K360 F361	Y109-N363 HydrophobicContact CE1-CB 3.98Å; Y109-N363 WeakPolarHBondContact OH-CB 3.36Å; K360-N363 WeakPolarHBondContact CE-O 3.12Å; K360-N363 WeakPolarHBondContact CE-OD1 3.3Å; K360-N363 PolarHBondContact NZ-OD1 2.84Å; F361-N363 PolarHBondContact O-N 2.93Å; F361-N363 VanDerWaalsContact O-N 3.17Å
364	Y	90.9	Very high	92.6	Very high	43 Å²	43	19 Å²	19	17%	0.169	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	138.7	167.2	-66.3	-83.9	0	0	0	110.9	F137 L138 K360 F361 F362 G390 Q391 I409	F137-Y364 HydrophobicContact CE1-CD1 4.29Å; F137-Y364 HydrophobicContact CE1-CD2 4.3Å; F137-Y364 HydrophobicContact CE1-CE1 4.05Å; F137-Y364 HydrophobicContact CE1-CE2 4.05Å; F137-Y364 HydrophobicContact CE1-CG 4.42Å; F137-Y364 AromaticContact CE1-CZ 3.93Å; F137-Y364 AromaticContact CZ-CE1 3.99Å; F137-Y364 HydrophobicContact CZ-CE1 3.99Å; L138-Y364 HydrophobicContact CD2-CD2 3.71Å; L138-Y364 HydrophobicContact CD2-CE2 4.25Å; L138-Y364 HydrophobicContact CD2-CG 4.45Å; K360-Y364 CarbonylContact C-O 3.58Å; K360-Y364 VanDerWaalsContact CA-O 3.31Å; K360-Y364 WeakPolarHBondContact CA-O 2.99Å; K360-Y364 WeakPolarHBondContact CG-O 3.41Å; F361-Y364 PolarHBondContact N-O 2.83Å; F361-Y364 PolarHBondContact O-N 2.78Å; F362-Y364 HydrophobicContact CB-CD2 4.38Å; F362-Y364 WeakPolarHBondContact O-CD2 3.29Å; F362-Y364 PolarHBondContact O-N 3.2Å; Y364-G390 VanDerWaalsContact OH-C 3.31Å; Y364-G390 WeakPolarHBondContact OH-CA 3.39Å; Y364-G390 PolarHBondContact OH-O 3.31Å; Y364-Q391 WeakPolarHBondContact CE1-O 3.45Å; Y364-I409 HydrophobicContact CD1-CG2 4.23Å; Y364-I409 HydrophobicContact CD2-CG2 4.47Å; Y364-I409 HydrophobicContact CG-CG2 3.85Å
365	K	91.1	Very high	92.3	Very high	37 Å²	37	21.1 Å²	21.1	16%	0.161	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	138.2	157.6	-174.3	-172.1	-171.2	-169.8	0	108.7	V367 I409 G410 E411 E415	K365-V367 HydrophobicContact CG-CG2 4.36Å; K365-I409 CarbonylContact O-C 3.43Å; K365-I409 WeakPolarHBondContact O-CA 3.43Å; K365-G410 PolarHBondContact O-N 2.89Å; K365-E411 WeakPolarHBondContact CD-OE2 3.33Å; K365-E411 IonicContact NZ-OE2 3.27Å; K365-E411 PolarHBondContact NZ-OE2 2.98Å; K365-E415 VanDerWaalsContact CE-OE1 3.25Å; K365-E415 WeakPolarHBondContact CE-OE1 3.47Å; K365-E415 IonicContact NZ-OE1 3.67Å; K365-E415 PolarHBondContact NZ-OE1 3.01Å
366	V	93.3	Very high	92.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	119.6	-178.5	175.4	0	0	0	0	108.4	F130 V358 T359 F361 L368 L408 I409	F130-V366 HydrophobicContact CE1-CG1 3.64Å; F130-V366 HydrophobicContact CE1-CG2 4.27Å; F130-V366 HydrophobicContact CZ-CG1 3.87Å; F130-V366 HydrophobicContact CZ-CG2 3.92Å; V358-V366 WeakPolarHBondContact CA-O 3.17Å; T359-V366 HydrophobicContact CG2-CB 4.08Å; T359-V366 HydrophobicContact CG2-CG1 4.31Å; T359-V366 PolarHBondContact N-O 3.03Å; T359-V366 PolarHBondContact O-N 3.22Å; F361-V366 HydrophobicContact CB-CG2 4.2Å; F361-V366 HydrophobicContact CD2-CB 4.48Å; F361-V366 HydrophobicContact CD2-CG1 4.43Å; F361-V366 HydrophobicContact CD2-CG2 4.21Å; V366-L368 HydrophobicContact CG1-CD2 4.08Å; V366-L368 HydrophobicContact CG1-CG 4.21Å; V366-L408 CarbonylContact C-O 3.55Å; V366-L408 WeakPolarHBondContact CA-O 3.35Å; V366-I409 HydrophobicContact CG2-CG1 4.45Å; V366-I409 HydrophobicContact CG2-CG2 4.32Å
367	V	94.1	Very high	92	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.8	178	-171	0	0	0	0	109.7	L5 H357 V358 K365 L369 L408 E415	L5-V367 HydrophobicContact CD1-CG1 4.36Å; L5-V367 HydrophobicContact CD2-CG1 3.85Å; H357-V367 WeakPolarHBondContact O-CA 3.31Å; V358-V367 HydrophobicContact CG1-CG2 4.34Å; V358-V367 HydrophobicContact CG2-CG1 4.31Å; V358-V367 HydrophobicContact CG2-CG2 4.18Å; K365-V367 HydrophobicContact CG-CG2 4.36Å; V367-L369 HydrophobicContact CG1-CD2 4.13Å; V367-L369 HydrophobicContact CG1-CG 4.28Å; V367-L408 HydrophobicContact CB-CB 4.19Å; V367-L408 PolarHBondContact N-O 3.41Å; V367-L408 PolarHBondContact O-N 3.25Å; V367-E415 HydrophobicContact CB-CG 4.16Å; V367-E415 HydrophobicContact CG1-CG 4.12Å; V367-E415 HydrophobicContact CG2-CG 3.8Å
368	L	95.6	Very high	91.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.7	-176.2	-56.4	176.2	0	0	0	109	F129 F355 S356 H357 V366 F372 V407	F129-L368 HydrophobicContact CB-CD1 4Å; F129-L368 HydrophobicContact CD1-CD1 3.6Å; F129-L368 HydrophobicContact CG-CD1 4.29Å; F129-L368 WeakPolarHBondContact O-CD2 3.22Å; F355-L368 HydrophobicContact CE1-CB 3.93Å; S356-L368 WeakPolarHBondContact CA-O 3.35Å; H357-L368 HydrophobicContact CB-CB 4.49Å; H357-L368 PolarHBondContact N-O 2.7Å; H357-L368 PolarHBondContact O-N 3.32Å; V366-L368 HydrophobicContact CG1-CD2 4.08Å; V366-L368 HydrophobicContact CG1-CG 4.21Å; L368-F372 HydrophobicContact CB-CB 4.35Å; L368-F372 HydrophobicContact CB-CD1 3.95Å; L368-F372 HydrophobicContact CB-CE1 4.35Å; L368-F372 HydrophobicContact CB-CG 4.05Å; L368-F372 HydrophobicContact CD1-CE1 4.45Å; L368-F372 HydrophobicContact CD1-CE2 4.27Å; L368-F372 HydrophobicContact CD1-CZ 4.23Å; L368-F372 HydrophobicContact CD2-CB 4.44Å; L368-F372 HydrophobicContact CD2-CD2 4.01Å; L368-F372 HydrophobicContact CD2-CE2 4.48Å; L368-F372 HydrophobicContact CD2-CG 4.22Å; L368-V407 HydrophobicContact CD2-CB 4.28Å; L368-V407 HydrophobicContact CD2-CG1 3.96Å; L368-V407 HydrophobicContact CD2-CG2 3.79Å
369	L	96.1	Very high	91.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.6	-176.8	-58.7	178.1	0	0	0	110.7	L5 F355 V367 K371 F372 G405 A406 F418 I422	L5-L369 HydrophobicContact CD2-CD2 4.29Å; F355-L369 CarbonylContact O-C 3.15Å; F355-L369 WeakPolarHBondContact O-CA 3.49Å; V367-L369 HydrophobicContact CG1-CD2 4.13Å; V367-L369 HydrophobicContact CG1-CG 4.28Å; L369-K371 PolarHBondContact O-N 3.43Å; L369-F372 WeakPolarHBondContact O-CB 3.21Å; L369-F372 PolarHBondContact O-N 3.11Å; L369-G405 CarbonylContact O-C 3.58Å; L369-G405 WeakPolarHBondContact O-CA 3.47Å; L369-A406 HydrophobicContact CB-CB 4.34Å; L369-A406 HydrophobicContact CD1-CB 4.47Å; L369-A406 PolarHBondContact N-O 2.86Å; L369-A406 PolarHBondContact O-N 3.07Å; L369-F418 HydrophobicContact CD1-CB 3.87Å; L369-I422 HydrophobicContact CB-CD1 3.73Å; L369-I422 HydrophobicContact CD1-CD1 4.39Å
370	G	96.3	Very high	91.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.4	-131	173.5	0	0	0	0	0	114	L316 L354 F355 F372	L316-G370 WeakPolarHBondContact O-CA 3.3Å; L354-G370 VanDerWaalsContact CD1-CA 3.47Å; F355-G370 PolarHBondContact O-N 3.1Å; G370-F372 WeakPolarHBondContact O-CD1 3.41Å; G370-F372 PolarHBondContact O-N 2.8Å
371	K	95.7	Very high	91.6	Very high	42 Å²	42	38.4 Å²	38.4	18%	0.183	24%	0.238	C	C	.	.	S	Bend	trans	-80	55.9	174.7	-62.4	-176	172	-127.4	0	111.7	P315 L369 N373 A374 Q375 L377 V397 V404	P315-K371 WeakPolarHBondContact O-CE 3.48Å; L369-K371 PolarHBondContact O-N 3.43Å; K371-N373 PolarHBondContact O-N 2.82Å; K371-A374 WeakPolarHBondContact O-CA 3.47Å; K371-A374 PolarHBondContact O-N 3.37Å; K371-Q375 WeakPolarHBondContact CD-O 3.5Å; K371-Q375 PolarHBondContact NZ-O 3.33Å; K371-Q375 PolarHBondContact O-OE1 2.7Å; K371-L377 HydrophobicContact CB-CD1 4.49Å; K371-L377 HydrophobicContact CD-CD1 4.13Å; K371-L377 HydrophobicContact CD-CD2 3.63Å; K371-L377 HydrophobicContact CD-CG 3.87Å; K371-V397 WeakPolarHBondContact O-CG2 3.39Å; K371-V404 WeakPolarHBondContact CB-O 3.35Å; K371-V404 PolarHBondContact N-O 3Å
372	F	95.1	Very high	91.8	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-24.6	-173.6	63.8	-98.8	0	0	0	115.2	F129 Q318 M320 F355 L368 L369 G370 Q375 K395 A406 V407	F129-F372 WeakPolarHBondContact O-CD2 3.4Å; F129-F372 WeakPolarHBondContact O-CE2 3.21Å; Q318-F372 VanDerWaalsContact NE2-CE1 3.31Å; M320-F372 HydrophobicContact SD-CE1 4.31Å; M320-F372 HydrophobicContact SD-CZ 4.25Å; F355-F372 AromaticContact CD1-CD1 3.79Å; F355-F372 HydrophobicContact CD1-CD1 3.79Å; F355-F372 AromaticContact CD1-CE1 3.79Å; F355-F372 HydrophobicContact CD1-CE1 3.79Å; F355-F372 AromaticContact CE1-CD1 3.73Å; F355-F372 HydrophobicContact CE1-CD1 3.73Å; F355-F372 AromaticContact CE1-CE1 3.38Å; F355-F372 HydrophobicContact CE1-CE1 3.38Å; F355-F372 HydrophobicContact CE1-CZ 4.43Å; F355-F372 AromaticContact CZ-CE1 3.92Å; F355-F372 HydrophobicContact CZ-CE1 3.92Å; L368-F372 HydrophobicContact CB-CB 4.35Å; L368-F372 HydrophobicContact CB-CD1 3.95Å; L368-F372 HydrophobicContact CB-CE1 4.35Å; L368-F372 HydrophobicContact CB-CG 4.05Å; L368-F372 HydrophobicContact CD1-CE1 4.45Å; L368-F372 HydrophobicContact CD1-CE2 4.27Å; L368-F372 HydrophobicContact CD1-CZ 4.23Å; L368-F372 HydrophobicContact CD2-CB 4.44Å; L368-F372 HydrophobicContact CD2-CD2 4.01Å; L368-F372 HydrophobicContact CD2-CE2 4.48Å; L368-F372 HydrophobicContact CD2-CG 4.22Å; L369-F372 WeakPolarHBondContact O-CB 3.21Å; L369-F372 PolarHBondContact O-N 3.11Å; G370-F372 WeakPolarHBondContact O-CD1 3.41Å; G370-F372 PolarHBondContact O-N 2.8Å; F372-Q375 VanDerWaalsContact CE1-NE2 3.27Å; F372-K395 WeakPolarHBondContact O-CE 3.28Å; F372-K395 PolarHBondContact O-NZ 2.89Å; F372-A406 WeakPolarHBondContact CB-O 3.31Å; F372-V407 HydrophobicContact CB-CG2 3.79Å; F372-V407 HydrophobicContact CD2-CG2 4.17Å; F372-V407 HydrophobicContact CG-CG2 4.45Å; F372-V407 WeakPolarHBondContact O-CG2 3.27Å
373	N	92.3	Very high	92	Very high	42 Å²	42	46.9 Å²	46.9	23%	0.225	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	33.1	173.7	-78.5	-12.9	0	0	0	111.8	F130 K371 Q375 K395	F130-N373 VanDerWaalsContact C-ND2 3.33Å; F130-N373 PolarHBondContact N-ND2 3.07Å; F130-N373 PolarHBondContact O-ND2 3.17Å; K371-N373 PolarHBondContact O-N 2.82Å; N373-Q375 PolarHBondContact O-N 2.7Å; N373-K395 PolarHBondContact OD1-NZ 2.79Å
374	A	93.1	Very high	92.3	Very high	12 Å²	12	42.8 Å²	42.8	10%	0.099	26%	0.257	C	S	.	.			trans	54.5	32.1	-178.8	0	0	0	0	0	114.2	K371 G376 L377 V397	K371-A374 WeakPolarHBondContact O-CA 3.47Å; K371-A374 PolarHBondContact O-N 3.37Å; A374-G376 PolarHBondContact O-N 3.15Å; A374-G376 VanDerWaalsContact O-N 3.16Å; A374-L377 HydrophobicContact CB-CB 4.45Å; A374-L377 HydrophobicContact CB-CD1 4.01Å; A374-L377 WeakPolarHBondContact O-CB 3.13Å; A374-L377 PolarHBondContact O-N 2.94Å; A374-V397 HydrophobicContact CB-CG1 3.83Å
375	Q	90	Very high	92.5	Very high	46 Å²	46	44.4 Å²	44.4	22%	0.215	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	120.4	-172.8	-65.5	91.3	-30	0	0	111.8	K371 F372 N373 L377	K371-Q375 WeakPolarHBondContact CD-O 3.5Å; K371-Q375 PolarHBondContact NZ-O 3.33Å; K371-Q375 PolarHBondContact O-OE1 2.7Å; F372-Q375 VanDerWaalsContact CE1-NE2 3.27Å; N373-Q375 PolarHBondContact O-N 2.7Å; Q375-L377 VanDerWaalsContact C-N 3.29Å; Q375-L377 PolarHBondContact O-N 2.93Å
376	G	89.9	Confident	92.7	Very high	81 Å²	81	44.7 Å²	44.7	84%	0.835	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	12.8	179.1	0	0	0	0	0	115.8	A374	A374-G376 PolarHBondContact O-N 3.15Å; A374-G376 VanDerWaalsContact O-N 3.16Å
377	L	90.4	Very high	92.7	Very high	35 Å²	35	48 Å²	48	18%	0.183	29%	0.294	C	S	.	.			trans	-88	-13.5	178	-60.9	179.7	0	0	0	114.2	K371 A374 Q375 H381 V397 V404	K371-L377 HydrophobicContact CB-CD1 4.49Å; K371-L377 HydrophobicContact CD-CD1 4.13Å; K371-L377 HydrophobicContact CD-CD2 3.63Å; K371-L377 HydrophobicContact CD-CG 3.87Å; A374-L377 HydrophobicContact CB-CB 4.45Å; A374-L377 HydrophobicContact CB-CD1 4.01Å; A374-L377 WeakPolarHBondContact O-CB 3.13Å; A374-L377 PolarHBondContact O-N 2.94Å; Q375-L377 VanDerWaalsContact C-N 3.29Å; Q375-L377 PolarHBondContact O-N 2.93Å; L377-H381 HydrophobicContact CB-CB 4.19Å; L377-H381 HydrophobicContact CD1-CB 3.94Å; L377-V397 HydrophobicContact CD1-CG1 3.74Å; L377-V404 HydrophobicContact CD1-CG2 3.68Å
378	G	87.5	Confident	92.7	Very high	58 Å²	58	50.5 Å²	50.5	60%	0.598	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	-143.6	-173.9	0	0	0	0	0	111.7	H381	G378-H381 PolarHBondContact O-CE1 2.91Å; G378-H381 PolarHBondContact O-ND1 3.37Å
379	S	85.4	Confident	92.4	Very high	107 Å²	107	59.6 Å²	59.6	75%	0.748	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.4	-179.9	55.6	0	0	0	0	115	H381	S379-H381 VanDerWaalsContact C-N 3.33Å; S379-H381 PolarHBondContact O-N 3.27Å
380	N	85	Confident	91.9	Very high	128 Å²	128	61.8 Å²	61.8	68%	0.684	37%	0.371	S	S	*	.			trans	-97	59.1	-170	-68.8	8.6	0	0	0	111
381	H	93.3	Very high	91.6	Very high	64 Å²	64	68.1 Å²	68.1	30%	0.296	40%	0.401	S	S	.	.			trans	-142.6	159.3	174.4	67.9	-88.5	0	0	0	109.9	L377 G378 S379 V397 L398	L377-H381 HydrophobicContact CB-CB 4.19Å; L377-H381 HydrophobicContact CD1-CB 3.94Å; G378-H381 PolarHBondContact O-CE1 2.91Å; G378-H381 PolarHBondContact O-ND1 3.37Å; S379-H381 VanDerWaalsContact C-N 3.33Å; S379-H381 PolarHBondContact O-N 3.27Å; H381-V397 HydrophobicContact CB-CG1 4.46Å; H381-L398 CarbonylContact C-O 3.6Å; H381-L398 VanDerWaalsContact CA-O 3.29Å; H381-L398 WeakPolarHBondContact CA-O 3.41Å; H381-L398 WeakPolarHBondContact CB-O 3.28Å
382	E	94.2	Very high	91.5	Very high	104 Å²	104	67 Å²	67	49%	0.486	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	145	175.3	169.8	173.9	-158.7	0	0	109	L384 L398	E382-L384 HydrophobicContact CG-CD2 4.36Å; E382-L398 HydrophobicContact CB-CB 4.15Å; E382-L398 HydrophobicContact CG-CD1 4.44Å; E382-L398 PolarHBondContact N-O 3.04Å; E382-L398 PolarHBondContact O-N 3.12Å
383	L	94.6	Very high	91.6	Very high	81 Å²	81	67.5 Å²	67.5	42%	0.424	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116	-179.8	-61.6	179.1	0	0	0	108.8	V396 V397	L383-V396 WeakPolarHBondContact CA-O 3.22Å; L383-V397 HydrophobicContact CD2-CB 4.27Å; L383-V397 HydrophobicContact CD2-CG1 4.17Å; L383-V397 HydrophobicContact CD2-CG2 3.78Å
384	L	95.1	Very high	91.8	Very high	14 Å²	14	65.5 Å²	65.5	7%	0.073	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137	169.2	-55.9	178.2	0	0	0	108.3	E382 K395 V396 L398 G432 E433 L435 L436	E382-L384 HydrophobicContact CG-CD2 4.36Å; L384-K395 CarbonylContact O-C 3.39Å; L384-K395 WeakPolarHBondContact O-CA 3.32Å; L384-V396 HydrophobicContact CB-CB 4.35Å; L384-V396 PolarHBondContact N-O 3.32Å; L384-V396 VanDerWaalsContact N-O 3.09Å; L384-V396 PolarHBondContact O-N 3.19Å; L384-L398 HydrophobicContact CD1-CD1 3.8Å; L384-L398 HydrophobicContact CG-CD1 4.2Å; L384-G432 VanDerWaalsContact CD1-O 3.3Å; L384-G432 WeakPolarHBondContact CD1-O 3.49Å; L384-E433 HydrophobicContact CD2-CG 4.43Å; L384-L435 HydrophobicContact CD1-CB 4.16Å; L384-L435 HydrophobicContact CD1-CD2 4.01Å; L384-L436 HydrophobicContact CB-CD1 3.62Å; L384-L436 HydrophobicContact CB-CG 4.23Å
385	V	95.2	Very high	91.9	Very high	78 Å²	78	65 Å²	65	47%	0.473	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	124.6	-177.2	-179	0	0	0	0	111	Y393 V394 K395	V385-Y393 HydrophobicContact CG1-CD2 4.32Å; V385-Y393 HydrophobicContact CG1-CE2 3.61Å; V385-V394 CarbonylContact C-O 3.52Å; V385-V394 WeakPolarHBondContact CA-O 3.13Å; V385-K395 HydrophobicContact CG2-CB 4.31Å; V385-K395 HydrophobicContact CG2-CG 4.06Å
386	R	94	Very high	92.3	Very high	43 Å²	43	62.8 Å²	62.8	16%	0.162	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.1	164.6	173.6	179.8	99.6	-159.4	1.1	108.3	E392 V394 L436	R386-E392 IonicContact CZ-OE1 2.75Å; R386-E392 IonicContact CZ-OE2 2.75Å; R386-E392 IonicContact NE-OE1 2.77Å; R386-E392 PolarHBondContact NE-OE1 3.38Å; R386-E392 IonicContact NE-OE2 3.17Å; R386-E392 PolarHBondContact NE-OE2 3.01Å; R386-E392 IonicContact NH2-OE1 2.72Å; R386-E392 IonicContact NH2-OE2 3.48Å; R386-E392 PolarHBondContact NH2-OE2 3.3Å; R386-V394 HydrophobicContact CB-CB 4.24Å; R386-V394 PolarHBondContact N-O 2.89Å; R386-V394 PolarHBondContact O-N 3.19Å; R386-V394 VanDerWaalsContact O-O 3.12Å; R386-L436 HydrophobicContact CB-CB 4.07Å; R386-L436 HydrophobicContact CB-CD1 4.19Å; R386-L436 VanDerWaalsContact CD-O 3.25Å; R386-L436 WeakPolarHBondContact CD-O 3.4Å
387	C	94.3	Very high	92.6	Very high	69 Å²	69	59 Å²	59	47%	0.466	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	113.4	-176.7	176.8	0	0	0	0	110.3	Y393	C387-Y393 HydrophobicContact CB-CD2 4.01Å
388	T	92.8	Very high	92.9	Very high	55 Å²	55	57.7 Å²	57.7	34%	0.337	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	100.2	173.5	-52.6	0	0	0	0	107.5	G390 Q391 E392	T388-G390 PolarHBondContact O-N 3.35Å; T388-G390 VanDerWaalsContact O-N 3.12Å; T388-Q391 HydrophobicContact CG2-CB 4.16Å; T388-Q391 HydrophobicContact CG2-CG 4.42Å; T388-Q391 PolarHBondContact O-N 3.48Å; T388-E392 PolarHBondContact N-O 2.94Å; T388-E392 PolarHBondContact O-N 2.79Å; T388-E392 PolarHBondContact OG1-OE1 2.74Å
389	K	89.5	Confident	93.3	Very high	191 Å²	191	56.7 Å²	56.7	83%	0.83	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	117.4	-167.1	-176.7	-175.3	178.1	-177.6	0	112.5	Q391	K389-Q391 VanDerWaalsContact C-N 3.32Å
390	G	86.4	Confident	93.6	Very high	45 Å²	45	55 Å²	55	46%	0.464	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	7.8	178.1	0	0	0	0	0	115	Y364 T388	Y364-G390 VanDerWaalsContact OH-C 3.31Å; Y364-G390 WeakPolarHBondContact OH-CA 3.39Å; Y364-G390 PolarHBondContact OH-O 3.31Å; T388-G390 PolarHBondContact O-N 3.35Å; T388-G390 VanDerWaalsContact O-N 3.12Å
391	Q	90.4	Very high	94	Very high	135 Å²	135	49.6 Å²	49.6	63%	0.631	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-60.5	175.3	-66.2	-175.9	-21.7	0	0	110.3	Y364 T388 K389	Y364-Q391 WeakPolarHBondContact CE1-O 3.45Å; T388-Q391 HydrophobicContact CG2-CB 4.16Å; T388-Q391 HydrophobicContact CG2-CG 4.42Å; T388-Q391 PolarHBondContact O-N 3.48Å; K389-Q391 VanDerWaalsContact C-N 3.32Å
392	E	93.9	Very high	94.1	Very high	19 Å²	19	51 Å²	51	9%	0.089	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	153.8	-174.7	51.8	144.9	-146.4	0	0	113.5	F137 R386 T388 I409 T412	F137-E392 VanDerWaalsContact CE2-O 3.27Å; F137-E392 WeakPolarHBondContact CE2-O 3.39Å; R386-E392 IonicContact CZ-OE1 2.75Å; R386-E392 IonicContact CZ-OE2 2.75Å; R386-E392 IonicContact NE-OE1 2.77Å; R386-E392 PolarHBondContact NE-OE1 3.38Å; R386-E392 IonicContact NE-OE2 3.17Å; R386-E392 PolarHBondContact NE-OE2 3.01Å; R386-E392 IonicContact NH2-OE1 2.72Å; R386-E392 IonicContact NH2-OE2 3.48Å; R386-E392 PolarHBondContact NH2-OE2 3.3Å; T388-E392 PolarHBondContact N-O 2.94Å; T388-E392 PolarHBondContact O-N 2.79Å; T388-E392 PolarHBondContact OG1-OE1 2.74Å; E392-I409 CarbonylContact C-O 3.57Å; E392-I409 WeakPolarHBondContact CA-O 3.28Å; E392-I409 WeakPolarHBondContact CB-O 3.37Å; E392-T412 HydrophobicContact CB-CG2 4.17Å
393	Y	96.1	Very high	94.3	Very high	11 Å²	11	46 Å²	46	4%	0.043	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	118.9	168.2	177.6	-81.6	0	0	0	108.9	A134 F137 V385 C387 K395 I409	A134-Y393 HydrophobicContact CB-CD1 4.07Å; A134-Y393 HydrophobicContact CB-CE1 3.69Å; A134-Y393 PolarHBondContact N-OH 3.17Å; F137-Y393 HydrophobicContact CB-CD2 4.09Å; F137-Y393 HydrophobicContact CB-CG 4.47Å; F137-Y393 HydrophobicContact CD2-CD2 4.49Å; F137-Y393 HydrophobicContact CG-CD2 4.36Å; F137-Y393 HydrophobicContact CG-CG 4.43Å; V385-Y393 HydrophobicContact CG1-CD2 4.32Å; V385-Y393 HydrophobicContact CG1-CE2 3.61Å; C387-Y393 HydrophobicContact CB-CD2 4.01Å; Y393-K395 HydrophobicContact CE1-CB 3.73Å; Y393-I409 HydrophobicContact CD1-CD1 3.98Å; Y393-I409 HydrophobicContact CD1-CG1 4.41Å; Y393-I409 HydrophobicContact CG-CD1 4.44Å; Y393-I409 PolarHBondContact N-O 2.81Å; Y393-I409 PolarHBondContact O-N 2.64Å
394	V	96.3	Very high	94.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.9	-179.7	173.5	0	0	0	0	108	V385 R386 L408 T412 L414 F418 L436	V385-V394 CarbonylContact C-O 3.52Å; V385-V394 WeakPolarHBondContact CA-O 3.13Å; R386-V394 HydrophobicContact CB-CB 4.24Å; R386-V394 PolarHBondContact N-O 2.89Å; R386-V394 PolarHBondContact O-N 3.19Å; R386-V394 VanDerWaalsContact O-O 3.12Å; V394-L408 HydrophobicContact CB-CD2 4.25Å; V394-L408 HydrophobicContact CG1-CD2 3.75Å; V394-L408 HydrophobicContact CG2-CD2 4.01Å; V394-T412 HydrophobicContact CG2-CG2 3.55Å; V394-L414 HydrophobicContact CG1-CD1 3.92Å; V394-L414 HydrophobicContact CG2-CD1 3.91Å; V394-F418 HydrophobicContact CG1-CE2 3.88Å; V394-F418 HydrophobicContact CG1-CZ 4.28Å; V394-L436 HydrophobicContact CG1-CD1 4.29Å; V394-L436 HydrophobicContact CG1-CD2 3.6Å
395	K	96.6	Very high	94.4	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.6	172.8	177.7	-171.5	79.7	-168	0	110.3	D131 F372 N373 L384 V385 Y393 A406 V407	D131-K395 WeakPolarHBondContact OD2-CD 3.34Å; D131-K395 WeakPolarHBondContact OD2-CE 3.29Å; D131-K395 IonicContact OD2-NZ 3.54Å; D131-K395 PolarHBondContact OD2-NZ 2.85Å; F372-K395 WeakPolarHBondContact O-CE 3.28Å; F372-K395 PolarHBondContact O-NZ 2.89Å; N373-K395 PolarHBondContact OD1-NZ 2.79Å; L384-K395 CarbonylContact O-C 3.39Å; L384-K395 WeakPolarHBondContact O-CA 3.32Å; V385-K395 HydrophobicContact CG2-CB 4.31Å; V385-K395 HydrophobicContact CG2-CG 4.06Å; Y393-K395 HydrophobicContact CE1-CB 3.73Å; K395-A406 CarbonylContact O-C 3.58Å; K395-A406 WeakPolarHBondContact O-CA 3.26Å; K395-A406 WeakPolarHBondContact O-CB 3.36Å; K395-V407 HydrophobicContact CB-CB 4.34Å; K395-V407 PolarHBondContact N-O 3.01Å; K395-V407 PolarHBondContact O-N 3.23Å
396	V	96.7	Very high	94.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.1	173.9	174.4	0	0	0	0	109.6	L383 L384 L398 M403 F418 L435 L436	L383-V396 WeakPolarHBondContact CA-O 3.22Å; L384-V396 HydrophobicContact CB-CB 4.35Å; L384-V396 PolarHBondContact N-O 3.32Å; L384-V396 VanDerWaalsContact N-O 3.09Å; L384-V396 PolarHBondContact O-N 3.19Å; V396-L398 HydrophobicContact CG1-CD2 3.76Å; V396-L398 HydrophobicContact CG1-CG 4.02Å; V396-M403 HydrophobicContact CG1-CE 3.8Å; V396-M403 HydrophobicContact CG1-CG 3.86Å; V396-M403 HydrophobicContact CG1-SD 4.2Å; V396-M403 HydrophobicContact CG2-CE 4.11Å; V396-F418 HydrophobicContact CG2-CD2 4.09Å; V396-F418 HydrophobicContact CG2-CE2 3.35Å; V396-F418 HydrophobicContact CG2-CZ 3.72Å; V396-L435 HydrophobicContact CG1-CD2 4.13Å; V396-L436 HydrophobicContact CG2-CD1 4.41Å; V396-L436 HydrophobicContact CG2-CD2 3.86Å; V396-L436 HydrophobicContact CG2-CG 4.47Å
397	V	96.6	Very high	94.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.3	172	-172.4	0	0	0	0	108.8	K371 A374 L377 H381 L383 V404 G405	K371-V397 WeakPolarHBondContact O-CG2 3.39Å; A374-V397 HydrophobicContact CB-CG1 3.83Å; L377-V397 HydrophobicContact CD1-CG1 3.74Å; H381-V397 HydrophobicContact CB-CG1 4.46Å; L383-V397 HydrophobicContact CD2-CB 4.27Å; L383-V397 HydrophobicContact CD2-CG1 4.17Å; L383-V397 HydrophobicContact CD2-CG2 3.78Å; V397-V404 HydrophobicContact CB-CG2 4.35Å; V397-V404 HydrophobicContact CG1-CG2 3.93Å; V397-V404 WeakPolarHBondContact O-CG2 3.11Å; V397-V404 PolarHBondContact O-N 3.49Å; V397-G405 PolarHBondContact N-O 2.97Å; V397-G405 PolarHBondContact O-N 2.57Å
398	L	96.5	Very high	94.8	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	142.3	176.1	-62	179.4	0	0	0	110.8	H381 E382 L384 V396 R402 M403 L428	H381-L398 CarbonylContact C-O 3.6Å; H381-L398 VanDerWaalsContact CA-O 3.29Å; H381-L398 WeakPolarHBondContact CA-O 3.41Å; H381-L398 WeakPolarHBondContact CB-O 3.28Å; E382-L398 HydrophobicContact CB-CB 4.15Å; E382-L398 HydrophobicContact CG-CD1 4.44Å; E382-L398 PolarHBondContact N-O 3.04Å; E382-L398 PolarHBondContact O-N 3.12Å; L384-L398 HydrophobicContact CD1-CD1 3.8Å; L384-L398 HydrophobicContact CG-CD1 4.2Å; V396-L398 HydrophobicContact CG1-CD2 3.76Å; V396-L398 HydrophobicContact CG1-CG 4.02Å; L398-R402 CarbonylContact C-O 3.34Å; L398-R402 VanDerWaalsContact CA-O 3.3Å; L398-R402 WeakPolarHBondContact CA-O 3.06Å; L398-M403 HydrophobicContact CD2-CB 4.26Å; L398-L428 HydrophobicContact CD2-CD1 4.16Å
399	S	95.4	Very high	94.9	Very high	38 Å²	38	30.5 Å²	30.5	27%	0.266	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	123.1	170.7	-176.2	0	0	0	0	109.7	G401 R402	S399-G401 PolarHBondContact O-N 2.85Å; S399-R402 PolarHBondContact N-O 2.83Å; S399-R402 PolarHBondContact O-N 2.9Å
400	G	93	Very high	95	Very high	72 Å²	72	21.6 Å²	21.6	74%	0.742	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	35.8	-177.5	0	0	0	0	0	113.9	R402	G400-R402 VanDerWaalsContact C-N 3.3Å; G400-R402 PolarHBondContact O-N 3.42Å
401	G	93.5	Very high	95.2	Very high	13 Å²	13	25.4 Å²	25.4	13%	0.134	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-5	-176.7	0	0	0	0	0	115.4	S399 L428 T429	S399-G401 PolarHBondContact O-N 2.85Å; G401-L428 WeakPolarHBondContact O-CA 3.46Å; G401-L428 WeakPolarHBondContact O-CB 3.48Å; G401-L428 PolarHBondContact O-N 2.68Å; G401-T429 WeakPolarHBondContact CA-OG1 3.41Å
402	R	95.4	Very high	95.1	Very high	94 Å²	94	19.4 Å²	19.4	36%	0.355	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	145.7	-176.3	-52.2	-173.1	-170.8	-68.5	-14.4	112	L398 S399 G400 V404 Q425 M426	L398-R402 CarbonylContact C-O 3.34Å; L398-R402 VanDerWaalsContact CA-O 3.3Å; L398-R402 WeakPolarHBondContact CA-O 3.06Å; S399-R402 PolarHBondContact N-O 2.83Å; S399-R402 PolarHBondContact O-N 2.9Å; G400-R402 VanDerWaalsContact C-N 3.3Å; G400-R402 PolarHBondContact O-N 3.42Å; R402-V404 PolarHBondContact O-N 2.81Å; R402-Q425 WeakPolarHBondContact CD-O 3.32Å; R402-Q425 PolarHBondContact NH1-O 3.15Å; R402-M426 WeakPolarHBondContact CA-O 3.27Å; R402-M426 WeakPolarHBondContact CG-O 3.37Å
403	M	96.9	Very high	94.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	129.1	170.8	-160.7	-179.7	-65.2	0	0	110.2	V396 L398 F418 L421 I422 Q425 L428 L435	V396-M403 HydrophobicContact CG1-CE 3.8Å; V396-M403 HydrophobicContact CG1-CG 3.86Å; V396-M403 HydrophobicContact CG1-SD 4.2Å; V396-M403 HydrophobicContact CG2-CE 4.11Å; L398-M403 HydrophobicContact CD2-CB 4.26Å; M403-F418 HydrophobicContact CE-CB 4.47Å; M403-F418 HydrophobicContact CE-CD1 3.78Å; M403-F418 HydrophobicContact CE-CD2 4.29Å; M403-F418 HydrophobicContact CE-CE1 4.02Å; M403-F418 HydrophobicContact CE-CG 3.92Å; M403-F418 HydrophobicContact CE-CZ 4.38Å; M403-F418 HydrophobicContact SD-CB 3.88Å; M403-F418 HydrophobicContact SD-CD1 4.32Å; M403-F418 HydrophobicContact SD-CD2 4.21Å; M403-F418 HydrophobicContact SD-CG 3.88Å; M403-L421 HydrophobicContact CB-CB 4.46Å; M403-L421 HydrophobicContact CE-CB 4.1Å; M403-L421 HydrophobicContact CE-CD1 3.65Å; M403-L421 HydrophobicContact SD-CB 4.22Å; M403-I422 HydrophobicContact CB-CG1 3.9Å; M403-I422 HydrophobicContact CG-CD1 4.15Å; M403-I422 HydrophobicContact CG-CG1 3.52Å; M403-I422 HydrophobicContact SD-CD1 4Å; M403-I422 HydrophobicContact SD-CG1 3.69Å; M403-Q425 PolarHBondContact O-NE2 2.99Å; M403-L428 HydrophobicContact CB-CD1 3.99Å; M403-L428 HydrophobicContact CE-CD1 4.14Å; M403-L435 HydrophobicContact CE-CD2 4.09Å
404	V	97	Very high	94.5	Very high	12 Å²	12	24.1 Å²	24.1	7%	0.073	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	-7.5	178.6	-64.5	0	0	0	0	113.2	L316 K371 L377 V397 R402	L316-V404 HydrophobicContact CD2-CB 3.97Å; L316-V404 HydrophobicContact CD2-CG1 4.26Å; L316-V404 WeakPolarHBondContact CD2-O 3.4Å; K371-V404 WeakPolarHBondContact CB-O 3.35Å; K371-V404 PolarHBondContact N-O 3Å; L377-V404 HydrophobicContact CD1-CG2 3.68Å; V397-V404 HydrophobicContact CB-CG2 4.35Å; V397-V404 HydrophobicContact CG1-CG2 3.93Å; V397-V404 WeakPolarHBondContact O-CG2 3.11Å; V397-V404 PolarHBondContact O-N 3.49Å; R402-V404 PolarHBondContact O-N 2.81Å
405	G	96.8	Very high	94.1	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	166.5	169.9	0	0	0	0	0	113.2	L369 V397	L369-G405 CarbonylContact O-C 3.58Å; L369-G405 WeakPolarHBondContact O-CA 3.47Å; V397-G405 PolarHBondContact N-O 2.97Å; V397-G405 PolarHBondContact O-N 2.57Å
406	A	97.1	Very high	93.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	154.7	178	0	0	0	0	0	112.4	L369 F372 K395 F418	L369-A406 HydrophobicContact CB-CB 4.34Å; L369-A406 HydrophobicContact CD1-CB 4.47Å; L369-A406 PolarHBondContact N-O 2.86Å; L369-A406 PolarHBondContact O-N 3.07Å; F372-A406 WeakPolarHBondContact CB-O 3.31Å; K395-A406 CarbonylContact O-C 3.58Å; K395-A406 WeakPolarHBondContact O-CA 3.26Å; K395-A406 WeakPolarHBondContact O-CB 3.36Å; A406-F418 HydrophobicContact CB-CD2 3.77Å; A406-F418 HydrophobicContact CB-CE2 4.49Å
407	V	97.3	Very high	93.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.7	165.1	176.8	0	0	0	0	107.4	F130 L368 F372 K395 I409	F130-V407 HydrophobicContact CD1-CG1 4.24Å; F130-V407 HydrophobicContact CE1-CG1 4.39Å; L368-V407 HydrophobicContact CD2-CB 4.28Å; L368-V407 HydrophobicContact CD2-CG1 3.96Å; L368-V407 HydrophobicContact CD2-CG2 3.79Å; F372-V407 HydrophobicContact CB-CG2 3.79Å; F372-V407 HydrophobicContact CD2-CG2 4.17Å; F372-V407 HydrophobicContact CG-CG2 4.45Å; F372-V407 WeakPolarHBondContact O-CG2 3.27Å; K395-V407 HydrophobicContact CB-CB 4.34Å; K395-V407 PolarHBondContact N-O 3.01Å; K395-V407 PolarHBondContact O-N 3.23Å; V407-I409 HydrophobicContact CG1-CD1 4.02Å; V407-I409 HydrophobicContact CG1-CG1 3.87Å
408	L	95.8	Very high	93.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.1	177	-54.8	173.1	0	0	0	107.9	V366 V367 V394 T412 L414 E415 F418	V366-L408 CarbonylContact C-O 3.55Å; V366-L408 WeakPolarHBondContact CA-O 3.35Å; V367-L408 HydrophobicContact CB-CB 4.19Å; V367-L408 PolarHBondContact N-O 3.41Å; V367-L408 PolarHBondContact O-N 3.25Å; V394-L408 HydrophobicContact CB-CD2 4.25Å; V394-L408 HydrophobicContact CG1-CD2 3.75Å; V394-L408 HydrophobicContact CG2-CD2 4.01Å; L408-T412 HydrophobicContact CB-CG2 4.15Å; L408-T412 HydrophobicContact CD2-CG2 4.46Å; L408-L414 HydrophobicContact CD1-CB 4.24Å; L408-L414 HydrophobicContact CD2-CB 4.26Å; L408-L414 HydrophobicContact CD2-CD1 4.49Å; L408-E415 HydrophobicContact CD1-CB 4.27Å; L408-E415 HydrophobicContact CD1-CG 3.79Å; L408-F418 HydrophobicContact CD1-CD2 4.37Å; L408-F418 HydrophobicContact CD2-CD2 3.89Å; L408-F418 HydrophobicContact CD2-CE2 3.84Å
409	I	95.6	Very high	93.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.2	-178.4	-52.9	-180	0	0	0	108	F130 A134 F137 L138 Y364 K365 V366 E392 Y393 V407	F130-I409 HydrophobicContact CD1-CD1 4.05Å; F130-I409 HydrophobicContact CE1-CD1 3.6Å; F130-I409 HydrophobicContact CE1-CG1 4.21Å; F130-I409 HydrophobicContact CZ-CD1 4.34Å; A134-I409 HydrophobicContact CB-CD1 3.87Å; F137-I409 HydrophobicContact CD1-CG2 4.22Å; F137-I409 HydrophobicContact CE1-CB 4.48Å; F137-I409 HydrophobicContact CE1-CG2 3.75Å; L138-I409 HydrophobicContact CD1-CD1 4.31Å; L138-I409 HydrophobicContact CD2-CG2 4.08Å; Y364-I409 HydrophobicContact CD1-CG2 4.23Å; Y364-I409 HydrophobicContact CD2-CG2 4.47Å; Y364-I409 HydrophobicContact CG-CG2 3.85Å; K365-I409 CarbonylContact O-C 3.43Å; K365-I409 WeakPolarHBondContact O-CA 3.43Å; V366-I409 HydrophobicContact CG2-CG1 4.45Å; V366-I409 HydrophobicContact CG2-CG2 4.32Å; E392-I409 CarbonylContact C-O 3.57Å; E392-I409 WeakPolarHBondContact CA-O 3.28Å; E392-I409 WeakPolarHBondContact CB-O 3.37Å; Y393-I409 HydrophobicContact CD1-CD1 3.98Å; Y393-I409 HydrophobicContact CD1-CG1 4.41Å; Y393-I409 HydrophobicContact CG-CD1 4.44Å; Y393-I409 PolarHBondContact N-O 2.81Å; Y393-I409 PolarHBondContact O-N 2.64Å; V407-I409 HydrophobicContact CG1-CD1 4.02Å; V407-I409 HydrophobicContact CG1-CG1 3.87Å
410	G	91.9	Very high	92.9	Very high	5 Å²	5	27.4 Å²	27.4	5%	0.052	16%	0.155	C	C	.	.	S	Bend	trans	92.3	-171.8	-169.9	0	0	0	0	0	112.1	K365 T412	K365-G410 PolarHBondContact O-N 2.89Å; G410-T412 PolarHBondContact O-N 3.22Å
411	E	90.1	Very high	92.9	Very high	125 Å²	125	24.1 Å²	24.1	58%	0.584	12%	0.12	S	C	*	.	S	Bend	trans	-84.7	104	169.7	-54.3	-48	141.4	0	0	107.5	K365	K365-E411 WeakPolarHBondContact CD-OE2 3.33Å; K365-E411 IonicContact NZ-OE2 3.27Å; K365-E411 PolarHBondContact NZ-OE2 2.98Å
412	T	88.5	Confident	93	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.055	11%	0.114	C	C	.	.			trans	-103.5	-24.6	-172.8	49	0	0	0	0	113.9	E392 V394 L408 G410 L414 E415	E392-T412 HydrophobicContact CB-CG2 4.17Å; V394-T412 HydrophobicContact CG2-CG2 3.55Å; L408-T412 HydrophobicContact CB-CG2 4.15Å; L408-T412 HydrophobicContact CD2-CG2 4.46Å; G410-T412 PolarHBondContact O-N 3.22Å; T412-L414 VanDerWaalsContact C-N 3.27Å; T412-L414 WeakPolarHBondContact O-CG 2.76Å; T412-L414 PolarHBondContact O-N 3.04Å; T412-E415 PolarHBondContact OG1-OE2 3.48Å
413	D	86.4	Confident	92.9	Very high	120 Å²	120	21.2 Å²	21.2	64%	0.642	11%	0.109	S	C	*	.	S	Bend	trans	49.1	47.7	-173.7	-55.9	-35.7	0	0	0	112	E415	D413-E415 PolarHBondContact N-OE2 3.25Å
414	L	90.3	Very high	92.7	Very high	9 Å²	9	26.2 Å²	26.2	5%	0.047	14%	0.136	C	C	.	.			trans	-134.5	-6.9	-177.5	-74.1	173.9	0	0	0	113.1	V394 L408 T412 E416 T417 F418 I442	V394-L414 HydrophobicContact CG1-CD1 3.92Å; V394-L414 HydrophobicContact CG2-CD1 3.91Å; L408-L414 HydrophobicContact CD1-CB 4.24Å; L408-L414 HydrophobicContact CD2-CB 4.26Å; L408-L414 HydrophobicContact CD2-CD1 4.49Å; T412-L414 VanDerWaalsContact C-N 3.27Å; T412-L414 WeakPolarHBondContact O-CG 2.76Å; T412-L414 PolarHBondContact O-N 3.04Å; L414-E416 PolarHBondContact O-N 3.16Å; L414-T417 PolarHBondContact O-N 3.32Å; L414-F418 HydrophobicContact CB-CD1 4.38Å; L414-F418 HydrophobicContact CB-CD2 4.43Å; L414-F418 HydrophobicContact CB-CE1 4.28Å; L414-F418 HydrophobicContact CB-CE2 4.32Å; L414-F418 HydrophobicContact CB-CG 4.47Å; L414-F418 HydrophobicContact CB-CZ 4.25Å; L414-F418 HydrophobicContact CD1-CE1 4.39Å; L414-F418 HydrophobicContact CD1-CE2 4.19Å; L414-F418 HydrophobicContact CD1-CZ 3.82Å; L414-F418 HydrophobicContact CD2-CE1 3.9Å; L414-F418 HydrophobicContact CD2-CZ 4.15Å; L414-F418 HydrophobicContact CG-CE1 4.43Å; L414-F418 HydrophobicContact CG-CZ 4.31Å; L414-F418 WeakPolarHBondContact O-CB 3.34Å; L414-F418 WeakPolarHBondContact O-CG 3.42Å; L414-F418 PolarHBondContact O-N 2.66Å; L414-I442 HydrophobicContact CD2-CG2 3.31Å
415	E	89.2	Confident	92.5	Very high	19 Å²	19	28.8 Å²	28.8	9%	0.089	15%	0.147	C	C	.	.	H	α-helix	trans	-58.7	-50.3	-169.7	-74.2	87.8	133.8	0	0	113.5	L5 K365 V367 L408 T412 D413 E419	L5-E415 HydrophobicContact CD1-CB 3.59Å; L5-E415 HydrophobicContact CD1-CG 4.22Å; K365-E415 VanDerWaalsContact CE-OE1 3.25Å; K365-E415 WeakPolarHBondContact CE-OE1 3.47Å; K365-E415 IonicContact NZ-OE1 3.67Å; K365-E415 PolarHBondContact NZ-OE1 3.01Å; V367-E415 HydrophobicContact CB-CG 4.16Å; V367-E415 HydrophobicContact CG1-CG 4.12Å; V367-E415 HydrophobicContact CG2-CG 3.8Å; L408-E415 HydrophobicContact CD1-CB 4.27Å; L408-E415 HydrophobicContact CD1-CG 3.79Å; T412-E415 PolarHBondContact OG1-OE2 3.48Å; D413-E415 PolarHBondContact N-OE2 3.25Å; E415-E419 WeakPolarHBondContact O-CB 3.31Å; E415-E419 PolarHBondContact O-N 3.44Å
416	E	87.1	Confident	92.3	Very high	49 Å²	49	32.2 Å²	32.2	23%	0.229	16%	0.163	C	C	.	.	H	α-helix	trans	-70.3	-48	179.7	172.3	159.3	173.1	0	0	110.9	V1 S2 L414 F418 E419 N420	V1-E416 VanDerWaalsContact CA-CD 3.4Å; V1-E416 WeakPolarHBondContact CA-OE1 3.15Å; V1-E416 WeakPolarHBondContact CA-OE2 3.29Å; V1-E416 PolarHBondContact N-OE1 3.26Å; S2-E416 PolarHBondContact N-OE2 2.99Å; L414-E416 PolarHBondContact O-N 3.16Å; E416-F418 VanDerWaalsContact C-N 3.26Å; E416-F418 PolarHBondContact O-N 3.02Å; E416-E419 WeakPolarHBondContact O-CB 3.23Å; E416-E419 PolarHBondContact O-N 3.05Å; E416-E419 VanDerWaalsContact O-N 3.09Å; E416-N420 WeakPolarHBondContact CG-ND2 3.25Å; E416-N420 PolarHBondContact O-N 3.33Å; E416-N420 PolarHBondContact O-ND2 3.3Å
417	T	90.9	Very high	92.2	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-41.4	179	-65.3	0	0	0	0	111.4	L414 N420 L421 I442 E443 F446	L414-T417 PolarHBondContact O-N 3.32Å; T417-N420 PolarHBondContact O-N 3.24Å; T417-L421 HydrophobicContact CG2-CD1 4.27Å; T417-L421 WeakPolarHBondContact O-CB 3.45Å; T417-L421 VanDerWaalsContact O-CG 3.27Å; T417-L421 WeakPolarHBondContact O-CG 3.37Å; T417-L421 PolarHBondContact O-N 3.1Å; T417-I442 HydrophobicContact CG2-CG1 4.3Å; T417-I442 HydrophobicContact CG2-CG2 4.15Å; T417-E443 WeakPolarHBondContact OG1-CG 3.35Å; T417-E443 PolarHBondContact OG1-OE1 3.03Å; T417-F446 HydrophobicContact CG2-CB 4.41Å
418	F	94	Very high	92	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-74.5	-33.6	177	-72.9	12	0	0	0	112.9	L369 V394 V396 M403 A406 L408 L414 E416 N420 L421 I422 L436 I442	L369-F418 HydrophobicContact CD1-CB 3.87Å; V394-F418 HydrophobicContact CG1-CE2 3.88Å; V394-F418 HydrophobicContact CG1-CZ 4.28Å; V396-F418 HydrophobicContact CG2-CD2 4.09Å; V396-F418 HydrophobicContact CG2-CE2 3.35Å; V396-F418 HydrophobicContact CG2-CZ 3.72Å; M403-F418 HydrophobicContact CE-CB 4.47Å; M403-F418 HydrophobicContact CE-CD1 3.78Å; M403-F418 HydrophobicContact CE-CD2 4.29Å; M403-F418 HydrophobicContact CE-CE1 4.02Å; M403-F418 HydrophobicContact CE-CG 3.92Å; M403-F418 HydrophobicContact CE-CZ 4.38Å; M403-F418 HydrophobicContact SD-CB 3.88Å; M403-F418 HydrophobicContact SD-CD1 4.32Å; M403-F418 HydrophobicContact SD-CD2 4.21Å; M403-F418 HydrophobicContact SD-CG 3.88Å; A406-F418 HydrophobicContact CB-CD2 3.77Å; A406-F418 HydrophobicContact CB-CE2 4.49Å; L408-F418 HydrophobicContact CD1-CD2 4.37Å; L408-F418 HydrophobicContact CD2-CD2 3.89Å; L408-F418 HydrophobicContact CD2-CE2 3.84Å; L414-F418 HydrophobicContact CB-CD1 4.38Å; L414-F418 HydrophobicContact CB-CD2 4.43Å; L414-F418 HydrophobicContact CB-CE1 4.28Å; L414-F418 HydrophobicContact CB-CE2 4.32Å; L414-F418 HydrophobicContact CB-CG 4.47Å; L414-F418 HydrophobicContact CB-CZ 4.25Å; L414-F418 HydrophobicContact CD1-CE1 4.39Å; L414-F418 HydrophobicContact CD1-CE2 4.19Å; L414-F418 HydrophobicContact CD1-CZ 3.82Å; L414-F418 HydrophobicContact CD2-CE1 3.9Å; L414-F418 HydrophobicContact CD2-CZ 4.15Å; L414-F418 HydrophobicContact CG-CE1 4.43Å; L414-F418 HydrophobicContact CG-CZ 4.31Å; L414-F418 WeakPolarHBondContact O-CB 3.34Å; L414-F418 WeakPolarHBondContact O-CG 3.42Å; L414-F418 PolarHBondContact O-N 2.66Å; E416-F418 VanDerWaalsContact C-N 3.26Å; E416-F418 PolarHBondContact O-N 3.02Å; F418-N420 VanDerWaalsContact C-N 3.35Å; F418-L421 HydrophobicContact CD1-CD1 4.23Å; F418-I422 WeakPolarHBondContact O-CB 3.43Å; F418-I422 WeakPolarHBondContact O-CD1 3.48Å; F418-I422 VanDerWaalsContact O-CG1 3.23Å; F418-I422 WeakPolarHBondContact O-CG1 3.39Å; F418-I422 PolarHBondContact O-N 3.48Å; F418-L436 HydrophobicContact CE2-CD2 4.33Å; F418-L436 HydrophobicContact CZ-CD2 3.74Å; F418-I442 HydrophobicContact CE1-CD1 4.38Å
419	E	92.3	Very high	91.8	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-48.4	169.8	-162.8	-167.6	146.1	0	0	110.4	S2 R4 L354 E415 E416 I422 L423	S2-E419 WeakPolarHBondContact CB-OE2 3.42Å; R4-E419 WeakPolarHBondContact CD-OE1 3.44Å; R4-E419 VanDerWaalsContact CG-OE1 3.29Å; R4-E419 WeakPolarHBondContact CG-OE1 3.28Å; R4-E419 IonicContact NE-OE1 3.26Å; R4-E419 PolarHBondContact NE-OE1 3.14Å; L354-E419 HydrophobicContact CD2-CG 3.56Å; E415-E419 WeakPolarHBondContact O-CB 3.31Å; E415-E419 PolarHBondContact O-N 3.44Å; E416-E419 WeakPolarHBondContact O-CB 3.23Å; E416-E419 PolarHBondContact O-N 3.05Å; E416-E419 VanDerWaalsContact O-N 3.09Å; E419-I422 PolarHBondContact O-N 3.02Å; E419-L423 HydrophobicContact CG-CD1 3.99Å; E419-L423 WeakPolarHBondContact O-CB 3.07Å; E419-L423 WeakPolarHBondContact O-CG 3.47Å; E419-L423 PolarHBondContact O-N 3.28Å
420	N	91.3	Very high	91.5	Very high	39 Å²	39	45.9 Å²	45.9	21%	0.209	25%	0.254	C	S	.	.	H	α-helix	trans	-63	-45.9	179	-69.7	-25.1	0	0	0	111.7	E416 T417 F418 I422 L423 N424	E416-N420 WeakPolarHBondContact CG-ND2 3.25Å; E416-N420 PolarHBondContact O-N 3.33Å; E416-N420 PolarHBondContact O-ND2 3.3Å; T417-N420 PolarHBondContact O-N 3.24Å; F418-N420 VanDerWaalsContact C-N 3.35Å; N420-I422 VanDerWaalsContact C-N 3.33Å; N420-I422 PolarHBondContact O-N 2.98Å; N420-L423 PolarHBondContact O-N 3.02Å; N420-N424 VanDerWaalsContact O-CB 3.22Å; N420-N424 WeakPolarHBondContact O-CB 3.19Å; N420-N424 VanDerWaalsContact O-CG 3.29Å; N420-N424 PolarHBondContact O-N 2.85Å; N420-N424 PolarHBondContact O-ND2 3.17Å
421	L	94	Very high	91.4	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-38.7	177.6	-76.7	177.9	0	0	0	112.9	M403 T417 F418 Q425 M426 L428 I442 F446	M403-L421 HydrophobicContact CB-CB 4.46Å; M403-L421 HydrophobicContact CE-CB 4.1Å; M403-L421 HydrophobicContact CE-CD1 3.65Å; M403-L421 HydrophobicContact SD-CB 4.22Å; T417-L421 HydrophobicContact CG2-CD1 4.27Å; T417-L421 WeakPolarHBondContact O-CB 3.45Å; T417-L421 VanDerWaalsContact O-CG 3.27Å; T417-L421 WeakPolarHBondContact O-CG 3.37Å; T417-L421 PolarHBondContact O-N 3.1Å; F418-L421 HydrophobicContact CD1-CD1 4.23Å; L421-Q425 PolarHBondContact O-N 2.92Å; L421-M426 HydrophobicContact CD2-CB 4.22Å; L421-M426 HydrophobicContact CD2-CG 4.38Å; L421-M426 HydrophobicContact CD2-SD 3.77Å; L421-L428 HydrophobicContact CD1-CD1 4.34Å; L421-L428 HydrophobicContact CD2-CD2 4.04Å; L421-I442 HydrophobicContact CD1-CD1 4.45Å; L421-F446 HydrophobicContact CD2-CB 4.24Å; L421-F446 HydrophobicContact CD2-CD1 3.57Å; L421-F446 HydrophobicContact CD2-CD2 4.38Å; L421-F446 HydrophobicContact CD2-CE1 3.89Å; L421-F446 HydrophobicContact CD2-CG 3.83Å; L421-F446 HydrophobicContact CD2-CZ 4.43Å
422	I	95.2	Very high	91.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.1	-48.5	175.3	-69.3	163.5	0	0	0	110.6	L316 L354 L369 M403 F418 E419 N420 Q425	L316-I422 HydrophobicContact CD1-CG2 3.76Å; L316-I422 HydrophobicContact CD2-CG2 4.12Å; L316-I422 HydrophobicContact CG-CG2 4.42Å; L354-I422 HydrophobicContact CD1-CG2 3.63Å; L354-I422 HydrophobicContact CD2-CG2 4.3Å; L369-I422 HydrophobicContact CB-CD1 3.73Å; L369-I422 HydrophobicContact CD1-CD1 4.39Å; M403-I422 HydrophobicContact CB-CG1 3.9Å; M403-I422 HydrophobicContact CG-CD1 4.15Å; M403-I422 HydrophobicContact CG-CG1 3.52Å; M403-I422 HydrophobicContact SD-CD1 4Å; M403-I422 HydrophobicContact SD-CG1 3.69Å; F418-I422 WeakPolarHBondContact O-CB 3.43Å; F418-I422 WeakPolarHBondContact O-CD1 3.48Å; F418-I422 VanDerWaalsContact O-CG1 3.23Å; F418-I422 WeakPolarHBondContact O-CG1 3.39Å; F418-I422 PolarHBondContact O-N 3.48Å; E419-I422 PolarHBondContact O-N 3.02Å; N420-I422 VanDerWaalsContact C-N 3.33Å; N420-I422 PolarHBondContact O-N 2.98Å; I422-Q425 WeakPolarHBondContact O-CG 3.29Å; I422-Q425 PolarHBondContact O-N 2.89Å; I422-Q425 PolarHBondContact O-NE2 3.48Å
423	L	92.7	Very high	91	Very high	47 Å²	47	52.9 Å²	52.9	25%	0.246	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-42.2	-177.9	-71.2	170.5	0	0	0	112.6	F350 L354 E419 N420 Q425	F350-L423 HydrophobicContact CE1-CD1 4.26Å; F350-L423 HydrophobicContact CE2-CD2 4.47Å; F350-L423 HydrophobicContact CZ-CD1 3.99Å; F350-L423 HydrophobicContact CZ-CD2 4.07Å; L354-L423 HydrophobicContact CB-CD2 3.93Å; L354-L423 HydrophobicContact CD2-CD1 4.34Å; L354-L423 HydrophobicContact CD2-CD2 4.07Å; L354-L423 HydrophobicContact CD2-CG 3.95Å; E419-L423 HydrophobicContact CG-CD1 3.99Å; E419-L423 WeakPolarHBondContact O-CB 3.07Å; E419-L423 WeakPolarHBondContact O-CG 3.47Å; E419-L423 PolarHBondContact O-N 3.28Å; N420-L423 PolarHBondContact O-N 3.02Å; L423-Q425 PolarHBondContact O-N 2.87Å
424	N	92.7	Very high	91	Very high	105 Å²	105	52.1 Å²	52.1	56%	0.561	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-11.4	177.5	-69.1	-28.2	0	0	0	112.9	N420 M426	N420-N424 VanDerWaalsContact O-CB 3.22Å; N420-N424 WeakPolarHBondContact O-CB 3.19Å; N420-N424 VanDerWaalsContact O-CG 3.29Å; N420-N424 PolarHBondContact O-N 2.85Å; N420-N424 PolarHBondContact O-ND2 3.17Å; N424-M426 VanDerWaalsContact C-N 3.26Å; N424-M426 HydrophobicContact CB-CG 3.87Å; N424-M426 HydrophobicContact CB-SD 4.4Å; N424-M426 PolarHBondContact O-N 2.64Å
425	Q	93.8	Very high	90.9	Very high	66 Å²	66	52.2 Å²	52.2	31%	0.308	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	45.2	-179.3	-76.8	-67.1	-68.8	0	0	112	R402 M403 L421 I422 L423	R402-Q425 WeakPolarHBondContact CD-O 3.32Å; R402-Q425 PolarHBondContact NH1-O 3.15Å; M403-Q425 PolarHBondContact O-NE2 2.99Å; L421-Q425 PolarHBondContact O-N 2.92Å; I422-Q425 WeakPolarHBondContact O-CG 3.29Å; I422-Q425 PolarHBondContact O-N 2.89Å; I422-Q425 PolarHBondContact O-NE2 3.48Å; L423-Q425 PolarHBondContact O-N 2.87Å
426	M	92.5	Very high	91	Very high	71 Å²	71	52 Å²	52	35%	0.35	28%	0.28	S	S	.	.			trans	-68.1	149.2	-177	-66.8	-176.4	69	0	0	112.1	R402 L421 N424 L428 F446	R402-M426 WeakPolarHBondContact CA-O 3.27Å; R402-M426 WeakPolarHBondContact CG-O 3.37Å; L421-M426 HydrophobicContact CD2-CB 4.22Å; L421-M426 HydrophobicContact CD2-CG 4.38Å; L421-M426 HydrophobicContact CD2-SD 3.77Å; N424-M426 VanDerWaalsContact C-N 3.26Å; N424-M426 HydrophobicContact CB-CG 3.87Å; N424-M426 HydrophobicContact CB-SD 4.4Å; N424-M426 PolarHBondContact O-N 2.64Å; M426-L428 HydrophobicContact CB-CD2 4.39Å; M426-F446 HydrophobicContact CE-CD1 3.62Å; M426-F446 HydrophobicContact CE-CE1 3.68Å; M426-F446 HydrophobicContact SD-CD1 3.83Å; M426-F446 HydrophobicContact SD-CE1 4.25Å
427	D	94.1	Very high	91	Very high	88 Å²	88	51.7 Å²	51.7	47%	0.471	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-85.6	110.3	173	-172.4	-12.8	0	0	0	109.2	T429	D427-T429 VanDerWaalsContact OD1-CB 3.24Å; D427-T429 WeakPolarHBondContact OD1-CB 3.32Å; D427-T429 PolarHBondContact OD1-N 2.65Å; D427-T429 PolarHBondContact OD1-OG1 2.95Å
428	L	93.9	Very high	90.6	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	31%	0.309	C	S	.	.			trans	-100.7	5.2	-175	-59.3	175.1	0	0	0	112.7	L398 G401 M403 L421 M426 A430 Y431 G432 L435 F446	L398-L428 HydrophobicContact CD2-CD1 4.16Å; G401-L428 WeakPolarHBondContact O-CA 3.46Å; G401-L428 WeakPolarHBondContact O-CB 3.48Å; G401-L428 PolarHBondContact O-N 2.68Å; M403-L428 HydrophobicContact CB-CD1 3.99Å; M403-L428 HydrophobicContact CE-CD1 4.14Å; L421-L428 HydrophobicContact CD1-CD1 4.34Å; L421-L428 HydrophobicContact CD2-CD2 4.04Å; M426-L428 HydrophobicContact CB-CD2 4.39Å; L428-A430 PolarHBondContact O-N 3.24Å; L428-Y431 HydrophobicContact CB-CD2 4.44Å; L428-Y431 HydrophobicContact CD2-CD2 4.12Å; L428-Y431 HydrophobicContact CD2-CE2 4.29Å; L428-Y431 PolarHBondContact O-N 3Å; L428-G432 PolarHBondContact O-N 2.76Å; L428-L435 HydrophobicContact CD1-CD1 4Å; L428-L435 HydrophobicContact CD1-CD2 4.03Å; L428-L435 HydrophobicContact CD2-CD1 4.09Å; L428-L435 HydrophobicContact CG-CD1 4.43Å; L428-F446 HydrophobicContact CD2-CE1 3.92Å; L428-F446 HydrophobicContact CD2-CZ 3.75Å
429	T	91.4	Very high	90.1	Very high	100 Å²	100	63.4 Å²	63.4	61%	0.613	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.1	-177.1	-52	0	0	0	0	113.1	G401 D427 Y431	G401-T429 WeakPolarHBondContact CA-OG1 3.41Å; D427-T429 VanDerWaalsContact OD1-CB 3.24Å; D427-T429 WeakPolarHBondContact OD1-CB 3.32Å; D427-T429 PolarHBondContact OD1-N 2.65Å; D427-T429 PolarHBondContact OD1-OG1 2.95Å; T429-Y431 VanDerWaalsContact C-N 3.34Å
430	A	89.9	Confident	89.5	Confident	98 Å²	98	65.9 Å²	65.9	81%	0.81	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-19.8	179.3	0	0	0	0	0	114.5	L428	L428-A430 PolarHBondContact O-N 3.24Å
431	Y	88.6	Confident	88.8	Confident	95 Å²	95	68.5 Å²	68.5	37%	0.373	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-39.7	-176.3	-58.3	-91.3	0	0	0	111.8	L428 T429 E433 E434 F446	L428-Y431 HydrophobicContact CB-CD2 4.44Å; L428-Y431 HydrophobicContact CD2-CD2 4.12Å; L428-Y431 HydrophobicContact CD2-CE2 4.29Å; L428-Y431 PolarHBondContact O-N 3Å; T429-Y431 VanDerWaalsContact C-N 3.34Å; Y431-E433 PolarHBondContact O-N 3.47Å; Y431-E434 WeakPolarHBondContact O-CB 3.36Å; Y431-E434 PolarHBondContact O-N 2.91Å; Y431-E434 VanDerWaalsContact O-N 3.14Å; Y431-F446 HydrophobicContact CD1-CZ 4.42Å; Y431-F446 HydrophobicContact CD2-CZ 4.21Å; Y431-F446 HydrophobicContact CE1-CE2 4.38Å; Y431-F446 AromaticContact CE1-CZ 3.9Å; Y431-F446 HydrophobicContact CE1-CZ 3.9Å; Y431-F446 HydrophobicContact CE2-CE1 4.21Å; Y431-F446 AromaticContact CE2-CZ 3.67Å; Y431-F446 HydrophobicContact CE2-CZ 3.67Å; Y431-F446 AromaticContact CZ-CZ 3.49Å; Y431-F446 VanDerWaalsContact CZ-CZ 3.49Å
432	G	85.6	Confident	88	Confident	25 Å²	25	69 Å²	69	26%	0.258	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	56	-130.9	178.7	0	0	0	0	0	112.4	L384 L428 E434 L435	L384-G432 VanDerWaalsContact CD1-O 3.3Å; L384-G432 WeakPolarHBondContact CD1-O 3.49Å; L428-G432 PolarHBondContact O-N 2.76Å; G432-E434 PolarHBondContact O-N 3.42Å; G432-L435 VanDerWaalsContact O-CB 3.29Å; G432-L435 WeakPolarHBondContact O-CB 3.25Å; G432-L435 PolarHBondContact O-N 3.26Å
433	E	85.1	Confident	86.8	Confident	167 Å²	167	72 Å²	72	78%	0.78	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-63.5	-25.1	179.1	-64.2	-176.9	173.7	0	0	113.6	L384 Y431 L435 L436	L384-E433 HydrophobicContact CD2-CG 4.43Å; Y431-E433 PolarHBondContact O-N 3.47Å; E433-L435 PolarHBondContact O-N 2.9Å; E433-L435 VanDerWaalsContact O-N 3.14Å; E433-L436 PolarHBondContact O-N 2.68Å; E433-L436 VanDerWaalsContact O-N 3.17Å
434	E	87.5	Confident	85.8	Confident	104 Å²	104	76.6 Å²	76.6	49%	0.486	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-64.4	-18.1	178.9	-60.6	-67.3	162.2	0	0	112.6	Y431 G432 L436 N437 I440	Y431-E434 WeakPolarHBondContact O-CB 3.36Å; Y431-E434 PolarHBondContact O-N 2.91Å; Y431-E434 VanDerWaalsContact O-N 3.14Å; G432-E434 PolarHBondContact O-N 3.42Å; E434-L436 PolarHBondContact O-N 3.25Å; E434-L436 VanDerWaalsContact O-N 3.11Å; E434-N437 WeakPolarHBondContact O-CB 3.34Å; E434-N437 PolarHBondContact O-N 3.48Å; E434-N437 PolarHBondContact OE2-ND2 3.42Å; E434-I440 HydrophobicContact CB-CD1 4.23Å
435	L	87.7	Confident	84.6	Confident	10 Å²	10	78.9 Å²	78.9	5%	0.052	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-56.3	-25.8	173.9	-166.4	78.5	0	0	0	112.9	L384 V396 M403 L428 G432 E433 I442	L384-L435 HydrophobicContact CD1-CB 4.16Å; L384-L435 HydrophobicContact CD1-CD2 4.01Å; V396-L435 HydrophobicContact CG1-CD2 4.13Å; M403-L435 HydrophobicContact CE-CD2 4.09Å; L428-L435 HydrophobicContact CD1-CD1 4Å; L428-L435 HydrophobicContact CD1-CD2 4.03Å; L428-L435 HydrophobicContact CD2-CD1 4.09Å; L428-L435 HydrophobicContact CG-CD1 4.43Å; G432-L435 VanDerWaalsContact O-CB 3.29Å; G432-L435 WeakPolarHBondContact O-CB 3.25Å; G432-L435 PolarHBondContact O-N 3.26Å; E433-L435 PolarHBondContact O-N 2.9Å; E433-L435 VanDerWaalsContact O-N 3.14Å; L435-I442 HydrophobicContact CD1-CD1 3.57Å; L435-I442 HydrophobicContact CG-CD1 3.99Å; L435-I442 WeakPolarHBondContact O-CD1 3.34Å
436	L	90.8	Very high	83.6	Confident	14 Å²	14	76.8 Å²	76.8	7%	0.073	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-114.8	16	178.3	-62.8	-172.3	0	0	0	113.3	L384 R386 V394 V396 F418 E433 E434 P438	L384-L436 HydrophobicContact CB-CD1 3.62Å; L384-L436 HydrophobicContact CB-CG 4.23Å; R386-L436 HydrophobicContact CB-CB 4.07Å; R386-L436 HydrophobicContact CB-CD1 4.19Å; R386-L436 VanDerWaalsContact CD-O 3.25Å; R386-L436 WeakPolarHBondContact CD-O 3.4Å; V394-L436 HydrophobicContact CG1-CD1 4.29Å; V394-L436 HydrophobicContact CG1-CD2 3.6Å; V396-L436 HydrophobicContact CG2-CD1 4.41Å; V396-L436 HydrophobicContact CG2-CD2 3.86Å; V396-L436 HydrophobicContact CG2-CG 4.47Å; F418-L436 HydrophobicContact CE2-CD2 4.33Å; F418-L436 HydrophobicContact CZ-CD2 3.74Å; E433-L436 PolarHBondContact O-N 2.68Å; E433-L436 VanDerWaalsContact O-N 3.17Å; E434-L436 PolarHBondContact O-N 3.25Å; E434-L436 VanDerWaalsContact O-N 3.11Å; L436-P438 WeakPolarHBondContact O-CD 3.47Å
437	N	87	Confident	81.9	Confident	43 Å²	43	81.6 Å²	81.6	23%	0.23	44%	0.435	C	S	.	.			trans	-67.9	119.1	176.5	-175.4	-15.1	0	0	0	110	E434 D439 I440	E434-N437 WeakPolarHBondContact O-CB 3.34Å; E434-N437 PolarHBondContact O-N 3.48Å; E434-N437 PolarHBondContact OE2-ND2 3.42Å; N437-D439 PolarHBondContact O-N 3.39Å; N437-D439 WeakPolarHBondContact OD1-CB 3.45Å; N437-D439 PolarHBondContact OD1-N 3.19Å; N437-I440 HydrophobicContact CB-CB 4.31Å; N437-I440 HydrophobicContact CB-CD1 3.9Å; N437-I440 HydrophobicContact CB-CG1 3.97Å; N437-I440 PolarHBondContact O-N 3.16Å; N437-I440 VanDerWaalsContact O-N 3.13Å
438	P	82.6	Confident	81.3	Confident	94 Å²	94	81.3 Å²	81.3	61%	0.61	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.9	-178.7	30.9	-37.1	0	0	0	114.1	L436 I440	L436-P438 WeakPolarHBondContact O-CD 3.47Å; P438-I440 VanDerWaalsContact C-N 3.3Å
439	D	83.3	Confident	80.7	Confident	153 Å²	153	85.4 Å²	85.4	82%	0.818	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.6	174	-64.2	-40.7	0	0	0	112.5	N437	N437-D439 PolarHBondContact O-N 3.39Å; N437-D439 WeakPolarHBondContact OD1-CB 3.45Å; N437-D439 PolarHBondContact OD1-N 3.19Å
440	I	79.5	Confident	80.1	Confident	61 Å²	61	84.6 Å²	84.6	31%	0.313	45%	0.447	S	S	.	.	S	Bend	trans	-110.8	115.9	175.7	-59	-179.2	0	0	0	108.3	E434 N437 P438 I442 Y445	E434-I440 HydrophobicContact CB-CD1 4.23Å; N437-I440 HydrophobicContact CB-CB 4.31Å; N437-I440 HydrophobicContact CB-CD1 3.9Å; N437-I440 HydrophobicContact CB-CG1 3.97Å; N437-I440 PolarHBondContact O-N 3.16Å; N437-I440 VanDerWaalsContact O-N 3.13Å; P438-I440 VanDerWaalsContact C-N 3.3Å; I440-I442 PolarHBondContact O-N 2.96Å; I440-Y445 HydrophobicContact CG2-CD2 4.2Å; I440-Y445 HydrophobicContact CG2-CE2 3.78Å
441	D	76	Confident	79.5	Confident	93 Å²	93	83.8 Å²	83.8	50%	0.497	43%	0.425	S	S	.	.			trans	-70.1	112.4	164.4	-166.2	-34.5	0	0	0	107.7	E443 D444 Y445	D441-E443 WeakPolarHBondContact OD1-CB 3.21Å; D441-E443 PolarHBondContact OD1-N 2.98Å; D441-D444 HydrophobicContact CB-CB 4.34Å; D441-Y445 WeakPolarHBondContact O-CD2 3.34Å
442	I	78.4	Confident	78.9	Confident	13 Å²	13	83.1 Å²	83.1	7%	0.067	43%	0.429	C	S	.	.	S	Bend	trans	-84.2	-20.4	-176.8	-171.8	161.5	0	0	0	111.9	L414 T417 F418 L421 L435 I440 Y445 F446	L414-I442 HydrophobicContact CD2-CG2 3.31Å; T417-I442 HydrophobicContact CG2-CG1 4.3Å; T417-I442 HydrophobicContact CG2-CG2 4.15Å; F418-I442 HydrophobicContact CE1-CD1 4.38Å; L421-I442 HydrophobicContact CD1-CD1 4.45Å; L435-I442 HydrophobicContact CD1-CD1 3.57Å; L435-I442 HydrophobicContact CG-CD1 3.99Å; L435-I442 WeakPolarHBondContact O-CD1 3.34Å; I440-I442 PolarHBondContact O-N 2.96Å; I442-Y445 PolarHBondContact O-N 2.88Å; I442-F446 HydrophobicContact CD1-CD2 4.14Å; I442-F446 HydrophobicContact CD1-CE2 3.94Å; I442-F446 HydrophobicContact CG1-CD2 3.48Å; I442-F446 VanDerWaalsContact CG1-CD2 3.48Å; I442-F446 HydrophobicContact CG1-CE2 3.66Å; I442-F446 WeakPolarHBondContact O-CD2 3.45Å; I442-F446 PolarHBondContact O-N 2.9Å
443	E	70.6	Confident	78.5	Confident	64 Å²	64	87 Å²	87	30%	0.299	44%	0.44	S	S	.	.	H	α-helix	trans	-66.4	-43.9	178.8	-44.6	-146.2	115.7	0	0	109.1	T417 D441 Y445 F446 D447	T417-E443 WeakPolarHBondContact OG1-CG 3.35Å; T417-E443 PolarHBondContact OG1-OE1 3.03Å; D441-E443 WeakPolarHBondContact OD1-CB 3.21Å; D441-E443 PolarHBondContact OD1-N 2.98Å; E443-Y445 PolarHBondContact O-N 2.9Å; E443-F446 PolarHBondContact O-N 2.77Å; E443-D447 PolarHBondContact O-N 3.16Å
444	D	70.6	Confident	78	Confident	142 Å²	142	81.3 Å²	81.3	76%	0.759	42%	0.416	S	S	*	.	H	α-helix	trans	-51.9	-19.4	173.2	-104.8	1.1	0	0	0	114.9	D441	D441-D444 HydrophobicContact CB-CB 4.34Å
445	Y	68.4	Low	77.3	Confident	153 Å²	153	79.5 Å²	79.5	60%	0.6	41%	0.41	S	S	*	.	H	α-helix	trans	-102.8	-17.9	179.3	-73.9	-92.8	0	0	0	114.8	I440 D441 I442 E443	I440-Y445 HydrophobicContact CG2-CD2 4.2Å; I440-Y445 HydrophobicContact CG2-CE2 3.78Å; D441-Y445 WeakPolarHBondContact O-CD2 3.34Å; I442-Y445 PolarHBondContact O-N 2.88Å; E443-Y445 PolarHBondContact O-N 2.9Å
446	F	72.9	Confident	76.4	Confident	23 Å²	23	85.3 Å²	85.3	10%	0.101	44%	0.44	C	S	.	.	H	α-helix	trans	-133.6	-0.7	-166.3	-65.6	-73.7	0	0	0	115.9	T417 L421 M426 L428 Y431 I442 E443	T417-F446 HydrophobicContact CG2-CB 4.41Å; L421-F446 HydrophobicContact CD2-CB 4.24Å; L421-F446 HydrophobicContact CD2-CD1 3.57Å; L421-F446 HydrophobicContact CD2-CD2 4.38Å; L421-F446 HydrophobicContact CD2-CE1 3.89Å; L421-F446 HydrophobicContact CD2-CG 3.83Å; L421-F446 HydrophobicContact CD2-CZ 4.43Å; M426-F446 HydrophobicContact CE-CD1 3.62Å; M426-F446 HydrophobicContact CE-CE1 3.68Å; M426-F446 HydrophobicContact SD-CD1 3.83Å; M426-F446 HydrophobicContact SD-CE1 4.25Å; L428-F446 HydrophobicContact CD2-CE1 3.92Å; L428-F446 HydrophobicContact CD2-CZ 3.75Å; Y431-F446 HydrophobicContact CD1-CZ 4.42Å; Y431-F446 HydrophobicContact CD2-CZ 4.21Å; Y431-F446 HydrophobicContact CE1-CE2 4.38Å; Y431-F446 AromaticContact CE1-CZ 3.9Å; Y431-F446 HydrophobicContact CE1-CZ 3.9Å; Y431-F446 HydrophobicContact CE2-CE1 4.21Å; Y431-F446 AromaticContact CE2-CZ 3.67Å; Y431-F446 HydrophobicContact CE2-CZ 3.67Å; Y431-F446 AromaticContact CZ-CZ 3.49Å; Y431-F446 VanDerWaalsContact CZ-CZ 3.49Å; I442-F446 HydrophobicContact CD1-CD2 4.14Å; I442-F446 HydrophobicContact CD1-CE2 3.94Å; I442-F446 HydrophobicContact CG1-CD2 3.48Å; I442-F446 VanDerWaalsContact CG1-CD2 3.48Å; I442-F446 HydrophobicContact CG1-CE2 3.66Å; I442-F446 WeakPolarHBondContact O-CD2 3.45Å; I442-F446 PolarHBondContact O-N 2.9Å; E443-F446 PolarHBondContact O-N 2.77Å
447	D	57	Low	75.1	Confident	171 Å²	171	91.8 Å²	91.8	91%	0.914	47%	0.474	S	S	*	.			trans	-68.9	0	169.1	-94.1	-1.3	0	0	0	115.1	E443	E443-D447 PolarHBondContact O-N 3.16Å

Retrieved 447 of 447 residues in 1343.3 ms (Link to these results)

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