A0A5K4F4P8_SCHMA Loading...

C-type lectin domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4P8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.3	Low	50.1	Low	209 Å²	209	125.4 Å²	125.4	100%	1.03	62%	0.617	S	S	*	*				0	-16	0	-130.8	169.9	77.2	0	0	114.7	T4	M1-T4 PolarHBondContact O-OG1 2.73Å; M1-T4 VanDerWaalsContact O-OG1 3.13Å
2	H	49.4	Very low	50	Low	161 Å²	161	125.5 Å²	125.5	75%	0.745	62%	0.615	S	S	*	*	H	α-helix	trans	-76.6	-28.7	175.4	-97.6	-49.7	0	0	0	115	F5 R6	H2-F5 PolarHBondContact O-N 2.89Å; H2-R6 PolarHBondContact O-N 3.1Å
3	I	54.7	Low	49.9	Very low	138 Å²	138	122.6 Å²	122.6	71%	0.708	60%	0.602	S	S	*	*	H	α-helix	trans	-70.8	-41.6	-176.6	-62.5	171.9	0	0	0	110.8	F5 R6 C7	I3-F5 VanDerWaalsContact C-N 3.32Å; I3-F5 PolarHBondContact O-N 2.84Å; I3-R6 PolarHBondContact O-N 2.59Å; I3-C7 PolarHBondContact O-N 2.68Å; I3-C7 PolarHBondContact O-SG 2.93Å; I3-C7 VanDerWaalsContact O-SG 3.4Å
4	T	55.4	Low	49.8	Very low	88 Å²	88	120.5 Å²	120.5	54%	0.54	59%	0.593	S	S	.	*	H	α-helix	trans	-62.6	-37	176.2	34.2	0	0	0	0	112.7	M1 C7 L8	M1-T4 PolarHBondContact O-OG1 2.73Å; M1-T4 VanDerWaalsContact O-OG1 3.13Å; T4-C7 PolarHBondContact O-N 2.66Å; T4-L8 PolarHBondContact O-N 2.79Å
5	F	46.2	Very low	49.4	Very low	145 Å²	145	119 Å²	119	64%	0.636	59%	0.587	S	S	*	*	H	α-helix	trans	-68.6	-38.8	177.2	-141.5	-87.9	0	0	0	112.3	H2 I3 L8 F9	H2-F5 PolarHBondContact O-N 2.89Å; I3-F5 VanDerWaalsContact C-N 3.32Å; I3-F5 PolarHBondContact O-N 2.84Å; F5-L8 PolarHBondContact O-N 3.05Å; F5-F9 PolarHBondContact O-N 2.88Å; F5-F9 VanDerWaalsContact O-N 3.07Å
6	R	40.3	Very low	48.8	Very low	188 Å²	188	118.8 Å²	118.8	71%	0.709	58%	0.584	S	S	*	*	H	α-helix	trans	-65.4	-39.4	173.5	-78	-173.3	174.4	-168.1	-1.3	112.3	H2 I3 F9 I10	H2-R6 PolarHBondContact O-N 3.1Å; I3-R6 PolarHBondContact O-N 2.59Å; R6-F9 PolarHBondContact O-N 3.47Å; R6-I10 VanDerWaalsContact O-CG1 3.3Å; R6-I10 WeakPolarHBondContact O-CG1 3.27Å; R6-I10 PolarHBondContact O-N 2.75Å
7	C	48	Very low	48.3	Very low	74 Å²	74	116.2 Å²	116.2	50%	0.5	58%	0.58	S	S	.	*	H	α-helix	trans	-64.9	-39.8	176.2	-68.5	0	0	0	0	112.2	I3 T4 F9 I10 S11	I3-C7 PolarHBondContact O-N 2.68Å; I3-C7 PolarHBondContact O-SG 2.93Å; I3-C7 VanDerWaalsContact O-SG 3.4Å; T4-C7 PolarHBondContact O-N 2.66Å; C7-F9 VanDerWaalsContact C-N 3.34Å; C7-I10 PolarHBondContact O-N 3.16Å; C7-S11 PolarHBondContact O-N 3.22Å; C7-S11 PolarHBondContact O-OG 2.97Å; C7-S11 VanDerWaalsContact O-OG 3.1Å
8	L	48.9	Very low	47.8	Very low	102 Å²	102	113.9 Å²	113.9	53%	0.534	58%	0.575	S	S	.	*	H	α-helix	trans	-63.2	-39.8	174.7	-80.2	160.9	0	0	0	112.3	T4 F5 S11 H12	T4-L8 PolarHBondContact O-N 2.79Å; F5-L8 PolarHBondContact O-N 3.05Å; L8-S11 VanDerWaalsContact C-OG 3.31Å; L8-S11 VanDerWaalsContact CA-OG 3.24Å; L8-S11 WeakPolarHBondContact CA-OG 2.85Å; L8-S11 PolarHBondContact O-N 3.13Å; L8-S11 PolarHBondContact O-OG 3.18Å; L8-H12 PolarHBondContact O-N 2.97Å
9	F	45.3	Very low	47.3	Very low	134 Å²	134	112.6 Å²	112.6	59%	0.588	57%	0.57	S	S	*	*	H	α-helix	trans	-66	-42.9	176.7	-141.3	-91.8	0	0	0	111.9	F5 R6 C7 H12 I13	F5-F9 PolarHBondContact O-N 2.88Å; F5-F9 VanDerWaalsContact O-N 3.07Å; R6-F9 PolarHBondContact O-N 3.47Å; C7-F9 VanDerWaalsContact C-N 3.34Å; F9-H12 PolarHBondContact O-N 3.11Å; F9-I13 HydrophobicContact CD1-CD1 3.8Å; F9-I13 HydrophobicContact CD1-CG1 4.4Å; F9-I13 HydrophobicContact CE1-CD1 4.24Å; F9-I13 VanDerWaalsContact O-CG1 3.28Å; F9-I13 WeakPolarHBondContact O-CG1 3.07Å; F9-I13 PolarHBondContact O-N 2.78Å
10	I	55	Low	47	Very low	95 Å²	95	109.7 Å²	109.7	49%	0.487	56%	0.56	S	S	.	*	H	α-helix	trans	-64.8	-40.7	175.1	-67.6	165.2	0	0	0	110.5	R6 C7 H12 I13 I14	R6-I10 VanDerWaalsContact O-CG1 3.3Å; R6-I10 WeakPolarHBondContact O-CG1 3.27Å; R6-I10 PolarHBondContact O-N 2.75Å; C7-I10 PolarHBondContact O-N 3.16Å; I10-H12 VanDerWaalsContact C-N 3.35Å; I10-H12 PolarHBondContact O-N 2.98Å; I10-I13 PolarHBondContact O-N 2.78Å; I10-I14 HydrophobicContact CG2-CD1 3.61Å; I10-I14 HydrophobicContact CG2-CG1 4.21Å; I10-I14 WeakPolarHBondContact O-CB 3.37Å; I10-I14 VanDerWaalsContact O-CG1 3.23Å; I10-I14 WeakPolarHBondContact O-CG1 3.21Å; I10-I14 PolarHBondContact O-N 3.17Å
11	S	51.2	Low	46.6	Very low	45 Å²	45	111 Å²	111	32%	0.315	57%	0.568	S	S	.	*	H	α-helix	trans	-67.5	-33.9	176.3	54.7	0	0	0	0	112.8	C7 L8 I14 I15	C7-S11 PolarHBondContact O-N 3.22Å; C7-S11 PolarHBondContact O-OG 2.97Å; C7-S11 VanDerWaalsContact O-OG 3.1Å; L8-S11 VanDerWaalsContact C-OG 3.31Å; L8-S11 VanDerWaalsContact CA-OG 3.24Å; L8-S11 WeakPolarHBondContact CA-OG 2.85Å; L8-S11 PolarHBondContact O-N 3.13Å; L8-S11 PolarHBondContact O-OG 3.18Å; S11-I14 PolarHBondContact O-N 2.53Å; S11-I15 WeakPolarHBondContact O-CB 3.41Å; S11-I15 WeakPolarHBondContact O-CD1 3.25Å; S11-I15 WeakPolarHBondContact O-CG1 3.36Å; S11-I15 PolarHBondContact O-N 3.47Å
12	H	48	Very low	45.5	Very low	127 Å²	127	105.5 Å²	105.5	59%	0.588	55%	0.551	S	S	*	*	H	α-helix	trans	-67.8	-40.6	171.2	-84.8	-22.5	0	0	0	111.8	L8 F9 I10 I15 H16	L8-H12 PolarHBondContact O-N 2.97Å; F9-H12 PolarHBondContact O-N 3.11Å; I10-H12 VanDerWaalsContact C-N 3.35Å; I10-H12 PolarHBondContact O-N 2.98Å; H12-I15 PolarHBondContact O-N 3.37Å; H12-H16 WeakPolarHBondContact O-CB 3.45Å; H12-H16 PolarHBondContact O-N 2.65Å
13	I	49.4	Very low	44.7	Very low	88 Å²	88	107 Å²	107	45%	0.451	56%	0.555	S	S	.	*	H	α-helix	trans	-61.9	-43.7	172.9	-69.1	165.8	0	0	0	110.6	F9 I10 H16 C17	F9-I13 HydrophobicContact CD1-CD1 3.8Å; F9-I13 HydrophobicContact CD1-CG1 4.4Å; F9-I13 HydrophobicContact CE1-CD1 4.24Å; F9-I13 VanDerWaalsContact O-CG1 3.28Å; F9-I13 WeakPolarHBondContact O-CG1 3.07Å; F9-I13 PolarHBondContact O-N 2.78Å; I10-I13 PolarHBondContact O-N 2.78Å; I13-H16 CarbonylContact O-C 3.58Å; I13-H16 PolarHBondContact O-N 3.24Å; I13-C17 VanDerWaalsContact O-CB 3.27Å; I13-C17 WeakPolarHBondContact O-CB 3.48Å; I13-C17 PolarHBondContact O-N 3.13Å; I13-C17 PolarHBondContact O-SG 3.28Å
14	I	48.2	Very low	43.9	Very low	93 Å²	93	107.4 Å²	107.4	48%	0.477	56%	0.558	S	S	.	*	H	α-helix	trans	-68.4	-39.9	178.6	-67.7	168.2	0	0	0	111	I10 S11 H16 C17 C18	I10-I14 HydrophobicContact CG2-CD1 3.61Å; I10-I14 HydrophobicContact CG2-CG1 4.21Å; I10-I14 WeakPolarHBondContact O-CB 3.37Å; I10-I14 VanDerWaalsContact O-CG1 3.23Å; I10-I14 WeakPolarHBondContact O-CG1 3.21Å; I10-I14 PolarHBondContact O-N 3.17Å; S11-I14 PolarHBondContact O-N 2.53Å; I14-H16 VanDerWaalsContact C-N 3.32Å; I14-C17 CarbonylContact O-C 3.52Å; I14-C17 PolarHBondContact O-N 2.95Å; I14-C18 VanDerWaalsContact O-CB 3.23Å; I14-C18 WeakPolarHBondContact O-CB 3.07Å; I14-C18 PolarHBondContact O-N 3.01Å; I14-C18 PolarHBondContact O-SG 3.48Å; I14-C18 VanDerWaalsContact O-SG 3.37Å
15	I	43.1	Very low	43	Very low	98 Å²	98	104.7 Å²	104.7	50%	0.503	54%	0.544	S	S	.	.	H	α-helix	trans	-66.8	-36	174	-68.8	164.6	0	0	0	110.4	S11 H12 C18 L19	S11-I15 WeakPolarHBondContact O-CB 3.41Å; S11-I15 WeakPolarHBondContact O-CD1 3.25Å; S11-I15 WeakPolarHBondContact O-CG1 3.36Å; S11-I15 PolarHBondContact O-N 3.47Å; H12-I15 PolarHBondContact O-N 3.37Å; I15-C18 PolarHBondContact O-N 2.96Å; I15-L19 HydrophobicContact CG2-CD1 4.01Å; I15-L19 WeakPolarHBondContact O-CB 3.37Å; I15-L19 WeakPolarHBondContact O-CD1 3.5Å; I15-L19 VanDerWaalsContact O-CG 3.32Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 3.09Å
16	H	41.1	Very low	42.7	Very low	116 Å²	116	102.5 Å²	102.5	54%	0.537	55%	0.547	S	S	.	.	H	α-helix	trans	-67.1	-40.3	172.3	-118.9	-52.5	0	0	0	112.2	H12 I13 I14 S20	H12-H16 WeakPolarHBondContact O-CB 3.45Å; H12-H16 PolarHBondContact O-N 2.65Å; I13-H16 CarbonylContact O-C 3.58Å; I13-H16 PolarHBondContact O-N 3.24Å; I14-H16 VanDerWaalsContact C-N 3.32Å; H16-S20 PolarHBondContact O-N 3.38Å
17	C	39.8	Very low	43.1	Very low	75 Å²	75	103.5 Å²	103.5	51%	0.507	56%	0.556	S	S	.	*	H	α-helix	trans	-73.9	-22.2	174.8	-71.6	0	0	0	0	112.7	I13 I14 S20	I13-C17 VanDerWaalsContact O-CB 3.27Å; I13-C17 WeakPolarHBondContact O-CB 3.48Å; I13-C17 PolarHBondContact O-N 3.13Å; I13-C17 PolarHBondContact O-SG 3.28Å; I14-C17 CarbonylContact O-C 3.52Å; I14-C17 PolarHBondContact O-N 2.95Å; C17-S20 WeakPolarHBondContact O-CB 3.4Å; C17-S20 PolarHBondContact O-OG 3.31Å
18	C	38.6	Very low	43.5	Very low	74 Å²	74	103.8 Å²	103.8	50%	0.5	55%	0.547	S	S	.	.	H	α-helix	trans	-91.9	-20.7	173.2	-75.1	0	0	0	0	112.1	I14 I15 S20 D21	I14-C18 VanDerWaalsContact O-CB 3.23Å; I14-C18 WeakPolarHBondContact O-CB 3.07Å; I14-C18 PolarHBondContact O-N 3.01Å; I14-C18 PolarHBondContact O-SG 3.48Å; I14-C18 VanDerWaalsContact O-SG 3.37Å; I15-C18 PolarHBondContact O-N 2.96Å; C18-S20 PolarHBondContact O-N 3.11Å; C18-D21 WeakPolarHBondContact O-CB 3.06Å; C18-D21 PolarHBondContact O-N 3.35Å
19	L	38.5	Very low	44.6	Very low	90 Å²	90	104.3 Å²	104.3	47%	0.471	55%	0.55	S	S	.	*	H	α-helix	trans	-69.3	-17.5	161.5	-78.8	160.5	0	0	0	111.5	I15 D21 S22	I15-L19 HydrophobicContact CG2-CD1 4.01Å; I15-L19 WeakPolarHBondContact O-CB 3.37Å; I15-L19 WeakPolarHBondContact O-CD1 3.5Å; I15-L19 VanDerWaalsContact O-CG 3.32Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 3.09Å; L19-D21 PolarHBondContact O-N 3.36Å; L19-S22 PolarHBondContact O-N 3.38Å; L19-S22 PolarHBondContact O-OG 2.84Å
20	S	41.2	Very low	46.2	Very low	54 Å²	54	99 Å²	99	38%	0.378	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.4	167.3	96.5	0	0	0	0	114.4	H16 C17 C18 S22	H16-S20 PolarHBondContact O-N 3.38Å; C17-S20 WeakPolarHBondContact O-CB 3.4Å; C17-S20 PolarHBondContact O-OG 3.31Å; C18-S20 PolarHBondContact O-N 3.11Å; S20-S22 VanDerWaalsContact C-N 3.28Å; S20-S22 PolarHBondContact O-N 2.83Å
21	D	38.7	Very low	47.3	Very low	136 Å²	136	97.3 Å²	97.3	73%	0.727	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	0.2	169.6	-79.3	-39.4	0	0	0	114.2	C18 L19 K23	C18-D21 WeakPolarHBondContact O-CB 3.06Å; C18-D21 PolarHBondContact O-N 3.35Å; L19-D21 PolarHBondContact O-N 3.36Å; D21-K23 PolarHBondContact O-N 3.21Å; D21-K23 VanDerWaalsContact O-N 3.13Å
22	S	34.3	Very low	48.9	Very low	95 Å²	95	98.8 Å²	98.8	66%	0.664	52%	0.515	S	S	*	.	S	Bend	trans	-88.2	74.4	172.5	61.9	0	0	0	0	111.4	L19 S20	L19-S22 PolarHBondContact O-N 3.38Å; L19-S22 PolarHBondContact O-OG 2.84Å; S20-S22 VanDerWaalsContact C-N 3.28Å; S20-S22 PolarHBondContact O-N 2.83Å
23	K	33.7	Very low	50.6	Low	192 Å²	192	93.5 Å²	93.5	84%	0.835	49%	0.491	S	S	*	.			trans	54.1	90.9	-177.9	-72.2	177.2	175.5	177.4	0	112.3	D21 A25	D21-K23 PolarHBondContact O-N 3.21Å; D21-K23 VanDerWaalsContact O-N 3.13Å; K23-A25 PolarHBondContact O-N 2.83Å
24	L	36.1	Very low	52.1	Low	147 Å²	147	93.3 Å²	93.3	77%	0.77	50%	0.495	S	S	*	.			trans	-48.7	101.6	131.2	-106.2	95.8	0	0	0	105.1	S26	L24-S26 PolarHBondContact O-N 3.42Å
25	A	38.2	Very low	53.9	Low	30 Å²	30	94.6 Å²	94.6	25%	0.248	50%	0.499	C	S	.	.			trans	-62.1	88	166.8	0	0	0	0	0	104.6	K23 K27 R28	K23-A25 PolarHBondContact O-N 2.83Å; A25-K27 PolarHBondContact O-N 2.79Å; A25-R28 HydrophobicContact CB-CB 4.1Å; A25-R28 PolarHBondContact O-N 2.84Å
26	S	38.1	Very low	56.2	Low	100 Å²	100	96.6 Å²	96.6	70%	0.699	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	107.1	-178.6	54.2	0	0	0	0	106.7	L24	L24-S26 PolarHBondContact O-N 3.42Å
27	K	49.1	Very low	58.3	Low	208 Å²	208	93.2 Å²	93.2	90%	0.904	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.5	5.3	-177.9	-52.8	172.5	176.7	-178	0	119.4	A25	A25-K27 PolarHBondContact O-N 2.79Å
28	R	56.4	Low	60.5	Low	80 Å²	80	91.5 Å²	91.5	30%	0.302	47%	0.474	S	S	.	.			trans	-121.6	131.4	-175.4	-57.7	-167.7	178.2	179.7	11.2	114.4	A25 Y30 E70 D71	A25-R28 HydrophobicContact CB-CB 4.1Å; A25-R28 PolarHBondContact O-N 2.84Å; R28-Y30 HydrophobicContact CB-CD1 4Å; R28-Y30 HydrophobicContact CB-CE1 3.49Å; R28-Y30 VanDerWaalsContact CB-CE1 3.49Å; R28-Y30 VanDerWaalsContact CD-OH 3.27Å; R28-Y30 WeakPolarHBondContact CD-OH 3.08Å; R28-Y30 HydrophobicContact CG-CE1 4.25Å; R28-Y30 PolarHBondContact O-N 2.96Å; R28-E70 IonicContact CZ-OE2 3.69Å; R28-E70 IonicContact NH1-OE2 3.87Å; R28-E70 IonicContact NH2-OE2 3.38Å; R28-E70 PolarHBondContact NH2-OE2 3.33Å; R28-D71 IonicContact CZ-OD1 3.75Å; R28-D71 VanDerWaalsContact CZ-OD1 3.28Å; R28-D71 IonicContact CZ-OD2 3.83Å; R28-D71 IonicContact NE-OD2 3.88Å; R28-D71 IonicContact NH1-OD1 3.79Å; R28-D71 PolarHBondContact NH1-OD1 2.97Å; R28-D71 IonicContact NH1-OD2 3.29Å; R28-D71 PolarHBondContact NH1-OD2 3.49Å; R28-D71 VanDerWaalsContact NH1-OD2 3.1Å; R28-D71 IonicContact NH2-OD1 2.66Å; R28-D71 PolarHBondContact NH2-OD1 3.38Å
29	N	73	Confident	62.5	Low	113 Å²	113	88.3 Å²	88.3	60%	0.604	45%	0.452	S	S	*	.	S	Bend	trans	-77.4	39.9	-170.9	-68.8	-24.7	0	0	0	113.9	V148 E149	N29-V148 CarbonylContact O-C 3.57Å; N29-V148 WeakPolarHBondContact O-CA 3.47Å; N29-E149 HydrophobicContact CB-CB 4.14Å; N29-E149 PolarHBondContact O-N 3.12Å
30	Y	78.4	Confident	64.2	Low	24 Å²	24	85 Å²	85	9%	0.094	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	166.9	179.8	64.8	-103.3	0	0	0	113.9	R28 F32 I68 D71 I146 C147	R28-Y30 HydrophobicContact CB-CD1 4Å; R28-Y30 HydrophobicContact CB-CE1 3.49Å; R28-Y30 VanDerWaalsContact CB-CE1 3.49Å; R28-Y30 VanDerWaalsContact CD-OH 3.27Å; R28-Y30 WeakPolarHBondContact CD-OH 3.08Å; R28-Y30 HydrophobicContact CG-CE1 4.25Å; R28-Y30 PolarHBondContact O-N 2.96Å; Y30-F32 HydrophobicContact CD2-CD2 4.32Å; Y30-F32 AromaticContact CD2-CE2 3.99Å; Y30-F32 HydrophobicContact CD2-CE2 3.99Å; Y30-F32 HydrophobicContact CE2-CD2 4.14Å; Y30-F32 AromaticContact CE2-CE2 3.49Å; Y30-F32 HydrophobicContact CE2-CE2 3.49Å; Y30-F32 VanDerWaalsContact CE2-CE2 3.49Å; Y30-F32 HydrophobicContact CE2-CZ 4.14Å; Y30-I68 HydrophobicContact CD1-CG1 4.2Å; Y30-I68 HydrophobicContact CE1-CG1 4.46Å; Y30-D71 WeakPolarHBondContact OH-CB 3.44Å; Y30-D71 PolarHBondContact OH-OD2 2.83Å; Y30-I146 HydrophobicContact CD2-CG2 4.19Å; Y30-I146 HydrophobicContact CG-CG2 4.26Å; Y30-C147 CarbonylContact C-O 3.59Å; Y30-C147 WeakPolarHBondContact CA-O 3.21Å; Y30-C147 WeakPolarHBondContact CB-O 3.45Å
31	Y	78.4	Confident	66	Low	58 Å²	58	86.9 Å²	86.9	23%	0.227	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	141.7	-177.2	173.6	-99.5	0	0	0	111.3	M33 W57 I146 C147	Y31-M33 HydrophobicContact CD1-CE 4.07Å; Y31-M33 HydrophobicContact CD1-SD 4.25Å; Y31-M33 HydrophobicContact CE1-CE 3.89Å; Y31-M33 HydrophobicContact CE1-CG 4.33Å; Y31-M33 HydrophobicContact CE1-SD 3.63Å; Y31-W57 HydrophobicContact CD1-CE3 4.49Å; Y31-W57 HydrophobicContact CD1-CH2 4.24Å; Y31-W57 AromaticContact CD1-CZ3 3.54Å; Y31-W57 HydrophobicContact CD1-CZ3 3.54Å; Y31-W57 HydrophobicContact CD2-CH2 4.18Å; Y31-W57 HydrophobicContact CD2-CZ3 4.29Å; Y31-W57 HydrophobicContact CE1-CZ3 4.48Å; Y31-W57 AromaticContact CG-CH2 3.66Å; Y31-W57 HydrophobicContact CG-CH2 3.66Å; Y31-W57 AromaticContact CG-CZ3 3.41Å; Y31-W57 HydrophobicContact CG-CZ3 3.41Å; Y31-W57 VanDerWaalsContact CG-CZ3 3.41Å; Y31-I146 CarbonylContact O-C 3.57Å; Y31-I146 WeakPolarHBondContact O-CA 3.46Å; Y31-C147 PolarHBondContact N-O 3.49Å; Y31-C147 PolarHBondContact O-N 3.32Å
32	F	85	Confident	68.2	Low	76 Å²	76	80.4 Å²	80.4	33%	0.333	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.4	176.6	-72.6	-85.3	0	0	0	110.7	Y30 A72 I146	Y30-F32 HydrophobicContact CD2-CD2 4.32Å; Y30-F32 AromaticContact CD2-CE2 3.99Å; Y30-F32 HydrophobicContact CD2-CE2 3.99Å; Y30-F32 HydrophobicContact CE2-CD2 4.14Å; Y30-F32 AromaticContact CE2-CE2 3.49Å; Y30-F32 HydrophobicContact CE2-CE2 3.49Å; Y30-F32 VanDerWaalsContact CE2-CE2 3.49Å; Y30-F32 HydrophobicContact CE2-CZ 4.14Å; F32-A72 HydrophobicContact CZ-CB 4.28Å; F32-I146 HydrophobicContact CD1-CD1 4.1Å; F32-I146 HydrophobicContact CD1-CG1 3.64Å; F32-I146 HydrophobicContact CE1-CD1 3.35Å; F32-I146 HydrophobicContact CE1-CG1 3.45Å; F32-I146 VanDerWaalsContact CE1-CG1 3.45Å; F32-I146 HydrophobicContact CZ-CD1 3.93Å; F32-I146 HydrophobicContact CZ-CG1 4.32Å
33	M	84.2	Confident	70.3	Confident	17 Å²	17	78 Å²	78	8%	0.084	38%	0.384	C	S	.	.			trans	-82.5	144.6	170.3	-60	-79.3	174.9	0	0	110.8	Y31 H35 Y37 L45 V145 C147	Y31-M33 HydrophobicContact CD1-CE 4.07Å; Y31-M33 HydrophobicContact CD1-SD 4.25Å; Y31-M33 HydrophobicContact CE1-CE 3.89Å; Y31-M33 HydrophobicContact CE1-CG 4.33Å; Y31-M33 HydrophobicContact CE1-SD 3.63Å; M33-H35 VanDerWaalsContact C-N 3.35Å; M33-H35 PolarHBondContact O-N 2.89Å; M33-Y37 HydrophobicContact CB-CD2 4.24Å; M33-Y37 HydrophobicContact CB-CE2 3.75Å; M33-Y37 HydrophobicContact CG-CE2 4.39Å; M33-L45 HydrophobicContact CE-CB 3.77Å; M33-L45 HydrophobicContact SD-CB 4.34Å; M33-V145 HydrophobicContact CB-CB 3.84Å; M33-V145 HydrophobicContact CB-CG2 4.47Å; M33-V145 HydrophobicContact CG-CB 3.65Å; M33-V145 HydrophobicContact CG-CG1 3.77Å; M33-V145 HydrophobicContact CG-CG2 4.43Å; M33-V145 PolarHBondContact N-O 3.48Å; M33-C147 WeakPolarHBondContact CE-SG 3.43Å
34	P	79.4	Confident	72.2	Confident	83 Å²	83	71.8 Å²	71.8	54%	0.539	36%	0.357	S	S	.	.	S	Bend	trans	-76.3	-18.8	-173.9	29.3	-35.6	0	0	0	114.4
35	H	86.6	Confident	74.3	Confident	121 Å²	121	66.8 Å²	66.8	56%	0.56	33%	0.331	S	S	*	.	S	Bend	trans	-117.7	167	-177.4	-56.6	-59.1	0	0	0	112	M33 Y37	M33-H35 VanDerWaalsContact C-N 3.35Å; M33-H35 PolarHBondContact O-N 2.89Å; H35-Y37 HydrophobicContact CB-CD2 4.43Å; H35-Y37 HydrophobicContact CB-CE1 4.45Å; H35-Y37 HydrophobicContact CB-CE2 3.67Å; H35-Y37 WeakPolarHBondContact O-CD2 3.3Å; H35-Y37 WeakPolarHBondContact O-CE2 3.39Å
36	K	90.9	Very high	76.4	Confident	139 Å²	139	65.4 Å²	65.4	60%	0.604	32%	0.319	S	S	*	.			trans	-85.1	136.9	169.1	-68.2	-178.5	175.8	-171.2	0	109.1	N143	K36-N143 VanDerWaalsContact CA-O 3.27Å; K36-N143 WeakPolarHBondContact CA-O 3.02Å
37	Y	85.9	Confident	78.1	Confident	46 Å²	46	63.1 Å²	63.1	18%	0.18	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-130.7	154.5	-177.6	-64.7	-80.7	0	0	0	109.3	M33 H35 E41 L45 W78 N143 V145	M33-Y37 HydrophobicContact CB-CD2 4.24Å; M33-Y37 HydrophobicContact CB-CE2 3.75Å; M33-Y37 HydrophobicContact CG-CE2 4.39Å; H35-Y37 HydrophobicContact CB-CD2 4.43Å; H35-Y37 HydrophobicContact CB-CE1 4.45Å; H35-Y37 HydrophobicContact CB-CE2 3.67Å; H35-Y37 WeakPolarHBondContact O-CD2 3.3Å; H35-Y37 WeakPolarHBondContact O-CE2 3.39Å; Y37-E41 HydrophobicContact CD1-CB 3.96Å; Y37-E41 HydrophobicContact CG-CB 4.31Å; Y37-L45 HydrophobicContact CD1-CD1 3.42Å; Y37-L45 VanDerWaalsContact CD1-CD1 3.42Å; Y37-L45 HydrophobicContact CD2-CD1 4.01Å; Y37-L45 HydrophobicContact CE1-CD1 3.24Å; Y37-L45 HydrophobicContact CE2-CD1 3.86Å; Y37-L45 HydrophobicContact CG-CD1 3.79Å; Y37-L45 VanDerWaalsContact CZ-CD1 3.44Å; Y37-W78 PolarHBondContact O-NE1 3.01Å; Y37-N143 PolarHBondContact N-O 2.91Å; Y37-N143 PolarHBondContact O-N 2.82Å; Y37-V145 HydrophobicContact CD2-CG2 3.64Å; Y37-V145 HydrophobicContact CG-CG2 4.2Å
38	T	85.5	Confident	79.3	Confident	39 Å²	39	56.7 Å²	56.7	24%	0.239	27%	0.269	C	S	.	.			trans	-63.7	164.9	163.8	62.3	0	0	0	0	110.3	C40 E41 A42	T38-C40 VanDerWaalsContact C-N 3.27Å; T38-C40 PolarHBondContact O-N 2.79Å; T38-E41 WeakPolarHBondContact CB-OE2 3.4Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.48Å; T38-E41 PolarHBondContact N-OE2 3.3Å; T38-E41 PolarHBondContact O-N 3.43Å; T38-E41 WeakPolarHBondContact OG1-CB 3.32Å; T38-E41 VanDerWaalsContact OG1-CD 3.24Å; T38-E41 VanDerWaalsContact OG1-CG 3.22Å; T38-E41 WeakPolarHBondContact OG1-CG 3.42Å; T38-E41 PolarHBondContact OG1-N 3.44Å; T38-E41 PolarHBondContact OG1-OE2 2.99Å; T38-A42 VanDerWaalsContact O-CB 3.26Å; T38-A42 WeakPolarHBondContact O-CB 3.48Å; T38-A42 PolarHBondContact O-N 3.26Å
39	F	81.9	Confident	80.1	Confident	6 Å²	6	54.3 Å²	54.3	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-58	-41	179.3	177.5	-98.1	0	0	0	112.4	A42 N43 L59 W78 L79 N82 C125 C139 Y191	F39-A42 PolarHBondContact O-N 3.25Å; F39-N43 WeakPolarHBondContact CD1-ND2 3.18Å; F39-N43 WeakPolarHBondContact CE1-ND2 3.27Å; F39-N43 WeakPolarHBondContact CE2-ND2 3.44Å; F39-N43 WeakPolarHBondContact CZ-ND2 3.39Å; F39-N43 PolarHBondContact O-N 3.42Å; F39-N43 VanDerWaalsContact O-N 3.08Å; F39-N43 PolarHBondContact O-ND2 2.7Å; F39-L59 HydrophobicContact CD2-CD1 4.02Å; F39-L59 HydrophobicContact CE2-CD1 3.75Å; F39-L59 HydrophobicContact CZ-CD1 4.45Å; F39-W78 HydrophobicContact CB-CD2 4.33Å; F39-W78 HydrophobicContact CB-CE3 4.4Å; F39-W78 HydrophobicContact CB-CH2 4.02Å; F39-W78 HydrophobicContact CB-CZ2 3.88Å; F39-W78 HydrophobicContact CB-CZ3 4.28Å; F39-W78 HydrophobicContact CD2-CD2 4.17Å; F39-W78 AromaticContact CD2-CE3 3.9Å; F39-W78 HydrophobicContact CD2-CE3 3.9Å; F39-W78 HydrophobicContact CD2-CZ3 4.3Å; F39-L79 VanDerWaalsContact CE2-O 3.29Å; F39-L79 WeakPolarHBondContact CE2-O 3.25Å; F39-N82 HydrophobicContact CE1-CB 3.99Å; F39-N82 HydrophobicContact CZ-CB 3.8Å; F39-C125 HydrophobicContact CB-CB 4.27Å; F39-C125 WeakPolarHBondContact CD1-SG 3.05Å; F39-C125 HydrophobicContact CD2-CB 4Å; F39-C125 HydrophobicContact CG-CB 4.12Å; F39-C125 WeakPolarHBondContact CG-SG 3.5Å; F39-C139 HydrophobicContact CB-CB 4.14Å; F39-C139 PolarHBondContact N-O 2.86Å; F39-Y191 HydrophobicContact CE1-CE1 4.41Å
40	C	73	Confident	80	Confident	22 Å²	22	48.9 Å²	48.9	15%	0.149	24%	0.236	C	C	.	.	H	α-helix	trans	-65.8	-50.5	178.2	178.4	0	0	0	0	111.7	T38 A42 N43 K44 C190	T38-C40 VanDerWaalsContact C-N 3.27Å; T38-C40 PolarHBondContact O-N 2.79Å; C40-A42 PolarHBondContact O-N 2.79Å; C40-N43 PolarHBondContact O-N 3.38Å; C40-K44 WeakPolarHBondContact O-CB 3.32Å; C40-K44 PolarHBondContact O-N 3.29Å; C40-C190 HydrophobicContact CB-CB 4.39Å; C40-C190 VanDerWaalsContact CB-O 3.25Å; C40-C190 WeakPolarHBondContact CB-O 3.41Å; C40-C190 PolarHBondContact SG-O 2.94Å
41	E	79.3	Confident	79.6	Confident	92 Å²	92	51.8 Å²	51.8	43%	0.43	25%	0.252	S	S	.	.	H	α-helix	trans	-58.3	-40	178.3	-72.3	167.1	145.3	0	0	110.9	Y37 T38 K44 L45	Y37-E41 HydrophobicContact CD1-CB 3.96Å; Y37-E41 HydrophobicContact CG-CB 4.31Å; T38-E41 WeakPolarHBondContact CB-OE2 3.4Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.48Å; T38-E41 PolarHBondContact N-OE2 3.3Å; T38-E41 PolarHBondContact O-N 3.43Å; T38-E41 WeakPolarHBondContact OG1-CB 3.32Å; T38-E41 VanDerWaalsContact OG1-CD 3.24Å; T38-E41 VanDerWaalsContact OG1-CG 3.22Å; T38-E41 WeakPolarHBondContact OG1-CG 3.42Å; T38-E41 PolarHBondContact OG1-N 3.44Å; T38-E41 PolarHBondContact OG1-OE2 2.99Å; E41-K44 PolarHBondContact O-N 2.75Å; E41-L45 VanDerWaalsContact O-CB 3.28Å; E41-L45 WeakPolarHBondContact O-CB 3.44Å; E41-L45 WeakPolarHBondContact O-CD1 3.28Å; E41-L45 WeakPolarHBondContact O-CG 3.39Å; E41-L45 PolarHBondContact O-N 2.79Å
42	A	84.2	Confident	79.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-49.4	178	0	0	0	0	0	112.7	T38 F39 C40 L45 C46 L59 W78 V145	T38-A42 VanDerWaalsContact O-CB 3.26Å; T38-A42 WeakPolarHBondContact O-CB 3.48Å; T38-A42 PolarHBondContact O-N 3.26Å; F39-A42 PolarHBondContact O-N 3.25Å; C40-A42 PolarHBondContact O-N 2.79Å; A42-L45 PolarHBondContact O-N 3.4Å; A42-C46 PolarHBondContact O-N 3.28Å; A42-C46 PolarHBondContact O-SG 3.05Å; A42-C46 VanDerWaalsContact O-SG 3.33Å; A42-L59 HydrophobicContact CB-CD1 4.47Å; A42-L59 HydrophobicContact CB-CD2 4.07Å; A42-W78 HydrophobicContact CB-CG 4.38Å; A42-V145 HydrophobicContact CB-CB 4.3Å; A42-V145 HydrophobicContact CB-CG1 3.94Å; A42-V145 HydrophobicContact CB-CG2 3.39Å
43	N	78.7	Confident	78.6	Confident	45 Å²	45	57 Å²	57	24%	0.241	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-47.9	176.6	-84	-72.2	0	0	0	111.8	F39 C40 L45 C46 Y47 L59	F39-N43 WeakPolarHBondContact CD1-ND2 3.18Å; F39-N43 WeakPolarHBondContact CE1-ND2 3.27Å; F39-N43 WeakPolarHBondContact CE2-ND2 3.44Å; F39-N43 WeakPolarHBondContact CZ-ND2 3.39Å; F39-N43 PolarHBondContact O-N 3.42Å; F39-N43 VanDerWaalsContact O-N 3.08Å; F39-N43 PolarHBondContact O-ND2 2.7Å; C40-N43 PolarHBondContact O-N 3.38Å; N43-L45 PolarHBondContact O-N 2.82Å; N43-C46 PolarHBondContact O-N 3.16Å; N43-Y47 WeakPolarHBondContact O-CB 3.27Å; N43-Y47 PolarHBondContact O-N 2.96Å; N43-L59 VanDerWaalsContact ND2-CD1 3.27Å; N43-L59 WeakPolarHBondContact ND2-CD1 3.1Å; N43-L59 WeakPolarHBondContact OD1-CD1 3.24Å
44	K	75	Confident	77.8	Confident	61 Å²	61	59.8 Å²	59.8	27%	0.265	32%	0.323	S	S	.	.	H	α-helix	trans	-57.1	-50.5	178.1	178.3	178.3	-174	125.6	0	111.4	C40 E41 C46 Y47 E48 E192	C40-K44 WeakPolarHBondContact O-CB 3.32Å; C40-K44 PolarHBondContact O-N 3.29Å; E41-K44 PolarHBondContact O-N 2.75Å; K44-C46 PolarHBondContact O-N 3.01Å; K44-Y47 PolarHBondContact O-N 3.03Å; K44-E48 WeakPolarHBondContact CE-OE1 3.25Å; K44-E48 HydrophobicContact CG-CG 4.26Å; K44-E48 IonicContact NZ-OE1 2.88Å; K44-E48 WeakPolarHBondContact O-CB 3.34Å; K44-E48 WeakPolarHBondContact O-CG 3.43Å; K44-E48 PolarHBondContact O-N 3.12Å; K44-E192 WeakPolarHBondContact CD-OE1 3.23Å; K44-E192 WeakPolarHBondContact CE-OE1 3.23Å; K44-E192 IonicContact NZ-OE1 3.55Å; K44-E192 PolarHBondContact NZ-OE1 2.69Å
45	L	79.4	Confident	77.4	Confident	43 Å²	43	59.7 Å²	59.7	23%	0.225	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-40	-178.7	-74.2	168.4	0	0	0	112.3	M33 Y37 E41 A42 N43 S49	M33-L45 HydrophobicContact CE-CB 3.77Å; M33-L45 HydrophobicContact SD-CB 4.34Å; Y37-L45 HydrophobicContact CD1-CD1 3.42Å; Y37-L45 VanDerWaalsContact CD1-CD1 3.42Å; Y37-L45 HydrophobicContact CD2-CD1 4.01Å; Y37-L45 HydrophobicContact CE1-CD1 3.24Å; Y37-L45 HydrophobicContact CE2-CD1 3.86Å; Y37-L45 HydrophobicContact CG-CD1 3.79Å; Y37-L45 VanDerWaalsContact CZ-CD1 3.44Å; E41-L45 VanDerWaalsContact O-CB 3.28Å; E41-L45 WeakPolarHBondContact O-CB 3.44Å; E41-L45 WeakPolarHBondContact O-CD1 3.28Å; E41-L45 WeakPolarHBondContact O-CG 3.39Å; E41-L45 PolarHBondContact O-N 2.79Å; A42-L45 PolarHBondContact O-N 3.4Å; N43-L45 PolarHBondContact O-N 2.82Å; L45-S49 WeakPolarHBondContact O-CB 3.42Å; L45-S49 PolarHBondContact O-N 3.49Å; L45-S49 PolarHBondContact O-OG 3.26Å
46	C	81.5	Confident	76.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.7	-49.4	173.1	-69.4	0	0	0	0	110.7	A42 N43 K44 S49 G50 W57 C147	A42-C46 PolarHBondContact O-N 3.28Å; A42-C46 PolarHBondContact O-SG 3.05Å; A42-C46 VanDerWaalsContact O-SG 3.33Å; N43-C46 PolarHBondContact O-N 3.16Å; K44-C46 PolarHBondContact O-N 3.01Å; C46-S49 PolarHBondContact O-N 2.99Å; C46-G50 PolarHBondContact O-N 3.44Å; C46-W57 HydrophobicContact CB-CB 4.47Å; C46-W57 WeakPolarHBondContact O-CB 3.36Å; C46-C147 WeakPolarHBondContact CA-SG 3.3Å; C46-C147 HydrophobicContact CB-CB 3.75Å; C46-C147 WeakPolarHBondContact CB-SG 3.15Å; C46-C147 WeakPolarHBondContact SG-CA 3.33Å; C46-C147 WeakPolarHBondContact SG-CB 3.32Å; C46-C147 CovalentContact SG-SG 2.04Å; C46-C147 PolarHBondContact SG-SG 3.04Å
47	Y	74.2	Confident	76.3	Confident	53 Å²	53	55.7 Å²	55.7	21%	0.208	29%	0.29	C	S	.	.	H	α-helix	trans	-60.5	-53.8	-179.7	-179.6	-101.8	0	0	0	112.6	N43 K44 S49 G50 L51 L167 F194 Y200	N43-Y47 WeakPolarHBondContact O-CB 3.27Å; N43-Y47 PolarHBondContact O-N 2.96Å; K44-Y47 PolarHBondContact O-N 3.03Å; Y47-S49 VanDerWaalsContact C-N 3.35Å; Y47-S49 PolarHBondContact O-N 3.43Å; Y47-G50 PolarHBondContact O-N 2.91Å; Y47-L51 HydrophobicContact CD1-CD1 4Å; Y47-L51 HydrophobicContact CD1-CG 4.43Å; Y47-L51 HydrophobicContact CE1-CD1 3.36Å; Y47-L51 HydrophobicContact CE1-CG 4.04Å; Y47-L51 WeakPolarHBondContact O-CG 3.44Å; Y47-L51 PolarHBondContact O-N 3.04Å; Y47-L167 HydrophobicContact CE2-CD2 3.98Å; Y47-F194 HydrophobicContact CD1-CE1 4.39Å; Y47-F194 HydrophobicContact CD1-CZ 4.31Å; Y47-F194 HydrophobicContact CD2-CZ 4.31Å; Y47-F194 AromaticContact CE1-CE1 3.77Å; Y47-F194 HydrophobicContact CE1-CE1 3.77Å; Y47-F194 HydrophobicContact CE1-CZ 4.14Å; Y47-F194 HydrophobicContact CE2-CE1 4.03Å; Y47-F194 HydrophobicContact CE2-CZ 4.14Å; Y47-F194 HydrophobicContact CG-CZ 4.39Å; Y47-F194 AromaticContact CZ-CE1 3.57Å; Y47-Y200 HydrophobicContact CE1-CE1 4.17Å
48	E	73.6	Confident	76.1	Confident	73 Å²	73	54.3 Å²	54.3	34%	0.341	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-41.9	-179.6	-70.7	-177.1	157.7	0	0	111.8	K44 G50 L51 L52	K44-E48 WeakPolarHBondContact CE-OE1 3.25Å; K44-E48 HydrophobicContact CG-CG 4.26Å; K44-E48 IonicContact NZ-OE1 2.88Å; K44-E48 WeakPolarHBondContact O-CB 3.34Å; K44-E48 WeakPolarHBondContact O-CG 3.43Å; K44-E48 PolarHBondContact O-N 3.12Å; E48-G50 VanDerWaalsContact C-N 3.33Å; E48-G50 PolarHBondContact O-N 3.42Å; E48-L51 PolarHBondContact O-N 3.2Å; E48-L52 WeakPolarHBondContact O-CG 3.27Å; E48-L52 PolarHBondContact O-N 3.34Å
49	S	74.2	Confident	76.1	Confident	29 Å²	29	52.4 Å²	52.4	20%	0.203	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-40	176.6	-60.3	0	0	0	0	111.8	L45 C46 Y47 L52 V53	L45-S49 WeakPolarHBondContact O-CB 3.42Å; L45-S49 PolarHBondContact O-N 3.49Å; L45-S49 PolarHBondContact O-OG 3.26Å; C46-S49 PolarHBondContact O-N 2.99Å; Y47-S49 VanDerWaalsContact C-N 3.35Å; Y47-S49 PolarHBondContact O-N 3.43Å; S49-L52 PolarHBondContact O-N 3.46Å; S49-V53 WeakPolarHBondContact O-CG2 3.5Å; S49-V53 PolarHBondContact O-N 3.44Å
50	G	70.9	Confident	76.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-49.3	173.1	0	0	0	0	0	111.6	C46 Y47 E48 L52 V53 G54 K55	C46-G50 PolarHBondContact O-N 3.44Å; Y47-G50 PolarHBondContact O-N 2.91Å; E48-G50 VanDerWaalsContact C-N 3.33Å; E48-G50 PolarHBondContact O-N 3.42Å; G50-L52 VanDerWaalsContact C-N 3.3Å; G50-L52 PolarHBondContact O-N 3.34Å; G50-V53 CarbonylContact O-C 3.53Å; G50-V53 WeakPolarHBondContact O-CG2 3.24Å; G50-V53 PolarHBondContact O-N 3.11Å; G50-V53 VanDerWaalsContact O-N 3.09Å; G50-G54 PolarHBondContact O-N 3.41Å; G50-K55 CarbonylContact C-O 3.49Å; G50-K55 VanDerWaalsContact CA-O 3.24Å; G50-K55 WeakPolarHBondContact CA-O 3.4Å; G50-K55 PolarHBondContact O-N 3.33Å
51	L	69.8	Low	76.5	Confident	85 Å²	85	51.3 Å²	51.3	45%	0.445	27%	0.267	S	S	.	.	H	α-helix	trans	-57.8	-41.7	179	-70.4	-176.4	0	0	0	112.5	Y47 E48 V53 G54	Y47-L51 HydrophobicContact CD1-CD1 4Å; Y47-L51 HydrophobicContact CD1-CG 4.43Å; Y47-L51 HydrophobicContact CE1-CD1 3.36Å; Y47-L51 HydrophobicContact CE1-CG 4.04Å; Y47-L51 WeakPolarHBondContact O-CG 3.44Å; Y47-L51 PolarHBondContact O-N 3.04Å; E48-L51 PolarHBondContact O-N 3.2Å; L51-V53 PolarHBondContact O-N 3.24Å; L51-G54 PolarHBondContact O-N 2.84Å
52	L	70.7	Confident	76.3	Confident	153 Å²	153	49.7 Å²	49.7	80%	0.801	26%	0.258	S	S	*	.	H	α-helix	trans	-61.3	-27.7	179	-71.1	172.3	0	0	0	113.2	E48 S49 G50	E48-L52 WeakPolarHBondContact O-CG 3.27Å; E48-L52 PolarHBondContact O-N 3.34Å; S49-L52 PolarHBondContact O-N 3.46Å; G50-L52 VanDerWaalsContact C-N 3.3Å; G50-L52 PolarHBondContact O-N 3.34Å
53	V	70.8	Confident	75.8	Confident	89 Å²	89	51.8 Å²	51.8	54%	0.539	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	11.5	179.7	-55.9	0	0	0	0	113.4	S49 G50 L51 K55 W57	S49-V53 WeakPolarHBondContact O-CG2 3.5Å; S49-V53 PolarHBondContact O-N 3.44Å; G50-V53 CarbonylContact O-C 3.53Å; G50-V53 WeakPolarHBondContact O-CG2 3.24Å; G50-V53 PolarHBondContact O-N 3.11Å; G50-V53 VanDerWaalsContact O-N 3.09Å; L51-V53 PolarHBondContact O-N 3.24Å; V53-K55 VanDerWaalsContact C-N 3.27Å; V53-K55 HydrophobicContact CG2-CB 3.98Å; V53-K55 HydrophobicContact CG2-CD 4.14Å; V53-K55 HydrophobicContact CG2-CG 4Å; V53-K55 PolarHBondContact O-N 3.28Å; V53-W57 HydrophobicContact CG2-CZ2 4.36Å
54	G	68.4	Low	75.7	Confident	76 Å²	76	51 Å²	51	78%	0.784	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	23.5	179.5	0	0	0	0	0	114.4	G50 L51	G50-G54 PolarHBondContact O-N 3.41Å; L51-G54 PolarHBondContact O-N 2.84Å
55	K	70.6	Confident	75.9	Confident	81 Å²	81	48.3 Å²	48.3	35%	0.352	25%	0.252	S	S	.	.	S	Bend	trans	-115.9	162.4	178.9	-65.6	-174.1	167.7	-153.1	0	111.1	G50 V53 W57 E149	G50-K55 CarbonylContact C-O 3.49Å; G50-K55 VanDerWaalsContact CA-O 3.24Å; G50-K55 WeakPolarHBondContact CA-O 3.4Å; G50-K55 PolarHBondContact O-N 3.33Å; V53-K55 VanDerWaalsContact C-N 3.27Å; V53-K55 HydrophobicContact CG2-CB 3.98Å; V53-K55 HydrophobicContact CG2-CD 4.14Å; V53-K55 HydrophobicContact CG2-CG 4Å; V53-K55 PolarHBondContact O-N 3.28Å; K55-W57 VanDerWaalsContact CB-CD1 3.43Å; K55-W57 VanDerWaalsContact CB-NE1 3.33Å; K55-E149 HydrophobicContact CD-CG 4.49Å; K55-E149 IonicContact NZ-OE1 2.87Å; K55-E149 IonicContact NZ-OE2 3.14Å; K55-E149 PolarHBondContact NZ-OE2 3.44Å
56	R	74.9	Confident	75.6	Confident	137 Å²	137	51.9 Å²	51.9	52%	0.517	27%	0.268	S	S	.	.			trans	-101.4	106.8	170.4	-67	-173.2	-174.9	-168.2	4.6	108.5	E149 A150	R56-E149 CarbonylContact O-C 3.55Å; R56-E149 WeakPolarHBondContact O-CA 3.43Å; R56-A150 HydrophobicContact CB-CB 4.06Å; R56-A150 WeakPolarHBondContact O-CB 3.23Å; R56-A150 PolarHBondContact O-N 2.03Å
57	W	79.5	Confident	75	Confident	39 Å²	39	58.7 Å²	58.7	15%	0.148	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	144.3	-178	-78.1	26.2	0	0	0	109.9	Y31 C46 V53 K55 C147 V148	Y31-W57 HydrophobicContact CD1-CE3 4.49Å; Y31-W57 HydrophobicContact CD1-CH2 4.24Å; Y31-W57 AromaticContact CD1-CZ3 3.54Å; Y31-W57 HydrophobicContact CD1-CZ3 3.54Å; Y31-W57 HydrophobicContact CD2-CH2 4.18Å; Y31-W57 HydrophobicContact CD2-CZ3 4.29Å; Y31-W57 HydrophobicContact CE1-CZ3 4.48Å; Y31-W57 AromaticContact CG-CH2 3.66Å; Y31-W57 HydrophobicContact CG-CH2 3.66Å; Y31-W57 AromaticContact CG-CZ3 3.41Å; Y31-W57 HydrophobicContact CG-CZ3 3.41Å; Y31-W57 VanDerWaalsContact CG-CZ3 3.41Å; C46-W57 HydrophobicContact CB-CB 4.47Å; C46-W57 WeakPolarHBondContact O-CB 3.36Å; V53-W57 HydrophobicContact CG2-CZ2 4.36Å; K55-W57 VanDerWaalsContact CB-CD1 3.43Å; K55-W57 VanDerWaalsContact CB-NE1 3.33Å; W57-C147 HydrophobicContact CB-CB 4.4Å; W57-C147 HydrophobicContact CD2-CB 4.26Å; W57-C147 HydrophobicContact CE3-CB 3.52Å; W57-C147 HydrophobicContact CZ3-CB 4.2Å; W57-V148 VanDerWaalsContact CA-O 3.3Å; W57-V148 WeakPolarHBondContact CA-O 3.41Å
58	K	81.6	Confident	75	Confident	17 Å²	17	56.2 Å²	56.2	7%	0.074	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	167.3	-176.5	61.3	176.2	-150.7	135.5	0	110.8	E80 H98 C147 V148 A150	K58-E80 WeakPolarHBondContact CD-OE2 3.4Å; K58-E80 WeakPolarHBondContact CE-OE2 3.34Å; K58-E80 IonicContact NZ-OE2 2.81Å; K58-E80 PolarHBondContact NZ-OE2 3.44Å; K58-H98 VanDerWaalsContact CD-NE2 3.27Å; K58-H98 WeakPolarHBondContact CD-NE2 3.49Å; K58-H98 PolarHBondContact NZ-NE2 2.84Å; K58-H98 VanDerWaalsContact NZ-NE2 3.11Å; K58-C147 CarbonylContact O-C 3.52Å; K58-C147 VanDerWaalsContact O-CA 3.26Å; K58-C147 WeakPolarHBondContact O-CA 3.22Å; K58-V148 HydrophobicContact CG-CG2 3.69Å; K58-V148 PolarHBondContact N-O 3.04Å; K58-V148 PolarHBondContact O-N 2.81Å; K58-A150 HydrophobicContact CD-CB 3.94Å; K58-A150 HydrophobicContact CG-CB 4.29Å
59	L	85.8	Confident	74.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.286	C	S	.	.			trans	-64.8	150.5	166.1	-69.4	179.1	0	0	0	110.4	F39 A42 N43 W78 E80 V145	F39-L59 HydrophobicContact CD2-CD1 4.02Å; F39-L59 HydrophobicContact CE2-CD1 3.75Å; F39-L59 HydrophobicContact CZ-CD1 4.45Å; A42-L59 HydrophobicContact CB-CD1 4.47Å; A42-L59 HydrophobicContact CB-CD2 4.07Å; N43-L59 VanDerWaalsContact ND2-CD1 3.27Å; N43-L59 WeakPolarHBondContact ND2-CD1 3.1Å; N43-L59 WeakPolarHBondContact OD1-CD1 3.24Å; L59-W78 HydrophobicContact CD1-CB 3.94Å; L59-W78 HydrophobicContact CD2-CB 3.94Å; L59-E80 HydrophobicContact CB-CB 3.83Å; L59-E80 HydrophobicContact CB-CG 4.31Å; L59-V145 HydrophobicContact CD2-CG1 3.77Å
60	P	83.7	Confident	74.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.305	C	S	.	.			trans	-65.1	145.9	178.3	26.2	-35.8	0	0	0	111.8	D64 I68 F77 W78 L79 E80 I146 V148	P60-D64 WeakPolarHBondContact CA-OD2 3.46Å; P60-D64 HydrophobicContact CB-CB 4Å; P60-I68 HydrophobicContact CB-CD1 3.46Å; P60-I68 VanDerWaalsContact CB-CD1 3.46Å; P60-I68 HydrophobicContact CG-CD1 4.15Å; P60-F77 HydrophobicContact CB-CE2 4.45Å; P60-F77 HydrophobicContact CG-CD2 3.79Å; P60-F77 HydrophobicContact CG-CE2 3.65Å; P60-W78 WeakPolarHBondContact CD-O 3.44Å; P60-W78 WeakPolarHBondContact CG-O 3Å; P60-L79 HydrophobicContact CB-CD2 4.29Å; P60-L79 HydrophobicContact CG-CD2 3.87Å; P60-L79 CarbonylContact O-C 3.48Å; P60-L79 VanDerWaalsContact O-CA 3.28Å; P60-L79 WeakPolarHBondContact O-CA 3.34Å; P60-E80 PolarHBondContact O-N 3.46Å; P60-I146 WeakPolarHBondContact CD-O 3.32Å; P60-I146 HydrophobicContact CG-CB 4.34Å; P60-V148 HydrophobicContact CB-CG1 3.91Å
61	V	79.4	Confident	73.9	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.024	33%	0.325	C	S	.	.			trans	-105.2	175.9	165.9	-66.5	0	0	0	0	109.9	E63 D64 L65 E80 Y81 Y97	V61-E63 WeakPolarHBondContact CB-OE2 3.35Å; V61-E63 HydrophobicContact CG2-CB 4.28Å; V61-E63 WeakPolarHBondContact CG2-OE2 3.47Å; V61-E63 PolarHBondContact O-N 2.71Å; V61-D64 WeakPolarHBondContact CG2-OD2 3.05Å; V61-D64 PolarHBondContact N-OD2 3.25Å; V61-D64 WeakPolarHBondContact O-CB 3.48Å; V61-D64 PolarHBondContact O-N 3.49Å; V61-L65 PolarHBondContact O-N 2.98Å; V61-E80 HydrophobicContact CG1-CB 3.79Å; V61-E80 VanDerWaalsContact CG1-OE2 3.32Å; V61-E80 WeakPolarHBondContact CG1-OE2 3.24Å; V61-Y81 HydrophobicContact CB-CE2 4.11Å; V61-Y81 WeakPolarHBondContact CB-OH 3.45Å; V61-Y81 HydrophobicContact CG1-CE2 4.31Å; V61-Y97 HydrophobicContact CB-CD2 4.22Å; V61-Y97 HydrophobicContact CB-CE2 4.23Å; V61-Y97 HydrophobicContact CG1-CD2 3.31Å; V61-Y97 HydrophobicContact CG1-CE2 3.77Å; V61-Y97 HydrophobicContact CG1-CG 3.9Å; V61-Y97 HydrophobicContact CG2-CE2 4.28Å
62	F	75.1	Confident	73.4	Confident	59 Å²	59	61.1 Å²	61.1	26%	0.259	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-30.9	-175	80.1	-108.8	0	0	0	112	D64 L65 Y81 I102 M110	F62-D64 VanDerWaalsContact C-N 3.27Å; F62-D64 PolarHBondContact O-N 2.95Å; F62-L65 HydrophobicContact CB-CD1 4.44Å; F62-L65 WeakPolarHBondContact O-CB 3.28Å; F62-L65 PolarHBondContact O-N 3.09Å; F62-Y81 HydrophobicContact CB-CE2 4.29Å; F62-Y81 HydrophobicContact CD1-CE2 4.38Å; F62-Y81 AromaticContact CD1-CZ 3.85Å; F62-Y81 WeakPolarHBondContact CD1-OH 3.34Å; F62-I102 HydrophobicContact CD1-CD1 3.83Å; F62-I102 HydrophobicContact CE1-CD1 3.5Å; F62-M110 HydrophobicContact CB-CE 3.52Å; F62-M110 HydrophobicContact CB-SD 3.89Å; F62-M110 HydrophobicContact CD2-CE 3.9Å; F62-M110 HydrophobicContact CG-CE 4.01Å
63	E	74.4	Confident	72.6	Confident	44 Å²	44	61 Å²	61	21%	0.206	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.3	176.1	-60.5	90.8	148.3	0	0	112.7	V61 L65 Q66 Y97	V61-E63 WeakPolarHBondContact CB-OE2 3.35Å; V61-E63 HydrophobicContact CG2-CB 4.28Å; V61-E63 WeakPolarHBondContact CG2-OE2 3.47Å; V61-E63 PolarHBondContact O-N 2.71Å; E63-L65 VanDerWaalsContact C-N 3.34Å; E63-Q66 WeakPolarHBondContact O-CG 3.11Å; E63-Q66 PolarHBondContact O-NE2 3.19Å; E63-Y97 PolarHBondContact OE1-OH 3.44Å
64	D	77.1	Confident	71.9	Confident	28 Å²	28	64 Å²	64	15%	0.15	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-23.3	178.6	-58.1	-49.8	0	0	0	111.7	P60 V61 F62 Q66 Y67 I68 V148	P60-D64 WeakPolarHBondContact CA-OD2 3.46Å; P60-D64 HydrophobicContact CB-CB 4Å; V61-D64 WeakPolarHBondContact CG2-OD2 3.05Å; V61-D64 PolarHBondContact N-OD2 3.25Å; V61-D64 WeakPolarHBondContact O-CB 3.48Å; V61-D64 PolarHBondContact O-N 3.49Å; F62-D64 VanDerWaalsContact C-N 3.27Å; F62-D64 PolarHBondContact O-N 2.95Å; D64-Q66 PolarHBondContact O-N 3.46Å; D64-Q66 VanDerWaalsContact O-N 3.16Å; D64-Y67 PolarHBondContact O-N 3.43Å; D64-I68 HydrophobicContact CB-CD1 3.86Å; D64-I68 WeakPolarHBondContact O-CG1 3.41Å; D64-I68 PolarHBondContact O-N 3.05Å; D64-V148 HydrophobicContact CB-CG1 4.16Å; D64-V148 WeakPolarHBondContact OD2-CG2 3.37Å
65	L	78.5	Confident	72.2	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-56.8	-35.2	-176.7	-67	-179.4	0	0	0	112.3	V61 F62 E63 Y67 I68 H69 F77 L79 M110 H128	V61-L65 PolarHBondContact O-N 2.98Å; F62-L65 HydrophobicContact CB-CD1 4.44Å; F62-L65 WeakPolarHBondContact O-CB 3.28Å; F62-L65 PolarHBondContact O-N 3.09Å; E63-L65 VanDerWaalsContact C-N 3.34Å; L65-Y67 PolarHBondContact O-N 3.4Å; L65-I68 PolarHBondContact O-N 2.81Å; L65-I68 VanDerWaalsContact O-N 3.13Å; L65-H69 VanDerWaalsContact C-CD2 3.45Å; L65-H69 VanDerWaalsContact O-CB 3.25Å; L65-H69 WeakPolarHBondContact O-CB 3.49Å; L65-H69 PolarHBondContact O-CD2 2.91Å; L65-H69 PolarHBondContact O-N 3.34Å; L65-F77 HydrophobicContact CD2-CE2 3.91Å; L65-F77 HydrophobicContact CD2-CZ 3.69Å; L65-L79 HydrophobicContact CD2-CD2 4.03Å; L65-M110 HydrophobicContact CD1-CE 4.32Å; L65-M110 HydrophobicContact CD1-SD 4.33Å; L65-H128 HydrophobicContact CD2-CB 4.4Å
66	Q	72.6	Confident	73.1	Confident	118 Å²	118	61.8 Å²	61.8	55%	0.551	29%	0.286	S	S	*	.	H	α-helix	trans	-57.9	-31.9	177.7	72.6	-169.8	-46.2	0	0	113.1	E63 D64	E63-Q66 WeakPolarHBondContact O-CG 3.11Å; E63-Q66 PolarHBondContact O-NE2 3.19Å; D64-Q66 PolarHBondContact O-N 3.46Å; D64-Q66 VanDerWaalsContact O-N 3.16Å
67	Y	69.1	Low	73.8	Confident	143 Å²	143	55.3 Å²	55.3	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-90.8	-21.9	-179.7	-50.8	-67.6	0	0	0	112.8	D64 L65	D64-Y67 PolarHBondContact O-N 3.43Å; L65-Y67 PolarHBondContact O-N 3.4Å
68	I	74	Confident	74.4	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-89.4	-35.7	-178	-65	168.1	0	0	0	110.6	Y30 P60 D64 L65 E70 D71 A72 F77 I146 V148	Y30-I68 HydrophobicContact CD1-CG1 4.2Å; Y30-I68 HydrophobicContact CE1-CG1 4.46Å; P60-I68 HydrophobicContact CB-CD1 3.46Å; P60-I68 VanDerWaalsContact CB-CD1 3.46Å; P60-I68 HydrophobicContact CG-CD1 4.15Å; D64-I68 HydrophobicContact CB-CD1 3.86Å; D64-I68 WeakPolarHBondContact O-CG1 3.41Å; D64-I68 PolarHBondContact O-N 3.05Å; L65-I68 PolarHBondContact O-N 2.81Å; L65-I68 VanDerWaalsContact O-N 3.13Å; I68-E70 PolarHBondContact O-N 2.04Å; I68-D71 PolarHBondContact O-N 2.69Å; I68-A72 HydrophobicContact CG2-CB 3.29Å; I68-A72 WeakPolarHBondContact O-CB 3.26Å; I68-A72 PolarHBondContact O-N 3.11Å; I68-F77 HydrophobicContact CG2-CE1 4.15Å; I68-F77 HydrophobicContact CG2-CE2 4.48Å; I68-F77 HydrophobicContact CG2-CZ 3.8Å; I68-I146 HydrophobicContact CD1-CG2 4.35Å; I68-I146 HydrophobicContact CG2-CD1 3.68Å; I68-V148 HydrophobicContact CD1-CG1 3.78Å
69	H	69.8	Low	74.6	Confident	77 Å²	77	52.6 Å²	52.6	36%	0.356	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.3	-175	-86.1	-54.6	0	0	0	114.3	L65 K73 H128	L65-H69 VanDerWaalsContact C-CD2 3.45Å; L65-H69 VanDerWaalsContact O-CB 3.25Å; L65-H69 WeakPolarHBondContact O-CB 3.49Å; L65-H69 PolarHBondContact O-CD2 2.91Å; L65-H69 PolarHBondContact O-N 3.34Å; H69-K73 WeakPolarHBondContact O-CE 3.3Å; H69-K73 WeakPolarHBondContact O-CG 3.06Å; H69-H128 AromaticContact CE1-CE1 3.65Å; H69-H128 AromaticContact CE1-NE2 3.11Å; H69-H128 PolarHBondContact CE1-NE2 2.81Å; H69-H128 AromaticContact ND1-NE2 3.9Å; H69-H128 AromaticContact NE2-NE2 3.99Å
70	E	63.1	Low	74.4	Confident	128 Å²	128	53.4 Å²	53.4	60%	0.598	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-30	175	-73.6	-176	170.2	0	0	112.6	R28 I68	R28-E70 IonicContact CZ-OE2 3.69Å; R28-E70 IonicContact NH1-OE2 3.87Å; R28-E70 IonicContact NH2-OE2 3.38Å; R28-E70 PolarHBondContact NH2-OE2 3.33Å; I68-E70 PolarHBondContact O-N 2.04Å
71	D	62.1	Low	74	Confident	79 Å²	79	53.7 Å²	53.7	42%	0.422	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-27.1	-173.1	-78.7	14.2	0	0	0	113.8	R28 Y30 I68	R28-D71 IonicContact CZ-OD1 3.75Å; R28-D71 VanDerWaalsContact CZ-OD1 3.28Å; R28-D71 IonicContact CZ-OD2 3.83Å; R28-D71 IonicContact NE-OD2 3.88Å; R28-D71 IonicContact NH1-OD1 3.79Å; R28-D71 PolarHBondContact NH1-OD1 2.97Å; R28-D71 IonicContact NH1-OD2 3.29Å; R28-D71 PolarHBondContact NH1-OD2 3.49Å; R28-D71 VanDerWaalsContact NH1-OD2 3.1Å; R28-D71 IonicContact NH2-OD1 2.66Å; R28-D71 PolarHBondContact NH2-OD1 3.38Å; Y30-D71 WeakPolarHBondContact OH-CB 3.44Å; Y30-D71 PolarHBondContact OH-OD2 2.83Å; I68-D71 PolarHBondContact O-N 2.69Å
72	A	59.7	Low	73.6	Confident	6 Å²	6	54.3 Å²	54.3	5%	0.05	26%	0.259	C	S	.	.			trans	-93.4	12.1	-178.2	0	0	0	0	0	113.7	F32 I68 L74 N75 F77 I146	F32-A72 HydrophobicContact CZ-CB 4.28Å; I68-A72 HydrophobicContact CG2-CB 3.29Å; I68-A72 WeakPolarHBondContact O-CB 3.26Å; I68-A72 PolarHBondContact O-N 3.11Å; A72-L74 PolarHBondContact O-N 2.84Å; A72-N75 PolarHBondContact O-N 2.91Å; A72-N75 VanDerWaalsContact O-N 3.09Å; A72-F77 HydrophobicContact CB-CD1 4.47Å; A72-F77 HydrophobicContact CB-CE1 3.89Å; A72-I146 HydrophobicContact CB-CD1 4Å
73	K	55.1	Low	72.9	Confident	151 Å²	151	51.5 Å²	51.5	66%	0.657	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-4.7	-176.1	-70.7	-165.1	174.5	175.5	0	116	H69	H69-K73 WeakPolarHBondContact O-CE 3.3Å; H69-K73 WeakPolarHBondContact O-CG 3.06Å
74	L	56.2	Low	72.1	Confident	150 Å²	150	49.4 Å²	49.4	79%	0.785	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.7	-8.7	-171.4	-60.6	174.3	0	0	0	114.3	A72	A72-L74 PolarHBondContact O-N 2.84Å
75	N	73.6	Confident	70.9	Confident	75 Å²	75	49.3 Å²	49.3	40%	0.401	24%	0.235	S	C	.	.			trans	-124.7	138.1	-168.5	-67.6	-25.8	0	0	0	113.2	A72 F77	A72-N75 PolarHBondContact O-N 2.91Å; A72-N75 VanDerWaalsContact O-N 3.09Å; N75-F77 VanDerWaalsContact O-CD1 3.28Å; N75-F77 WeakPolarHBondContact O-CD1 3.46Å
76	T	89.1	Confident	69.5	Low	36 Å²	36	49.1 Å²	49.1	22%	0.221	24%	0.235	C	C	.	.			trans	-75.6	131.2	163.9	-64.7	0	0	0	0	109.4	I127 H128 K130 N144	T76-I127 HydrophobicContact CG2-CB 4.08Å; T76-I127 HydrophobicContact CG2-CD1 3.46Å; T76-I127 VanDerWaalsContact CG2-CD1 3.46Å; T76-I127 HydrophobicContact CG2-CG1 4.28Å; T76-I127 HydrophobicContact CG2-CG2 4.46Å; T76-H128 CarbonylContact C-O 3.56Å; T76-H128 VanDerWaalsContact CA-O 3.25Å; T76-H128 WeakPolarHBondContact CA-O 3.16Å; T76-K130 PolarHBondContact OG1-N 3.35Å; T76-N144 VanDerWaalsContact O-CB 3.24Å; T76-N144 WeakPolarHBondContact O-CB 3.05Å; T76-N144 PolarHBondContact O-ND2 2.94Å
77	F	90.7	Very high	68.2	Low	1 Å²	1	45.7 Å²	45.7	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	159.6	179.3	57.6	-91.4	0	0	0	112.9	P60 L65 I68 A72 N75 L79 I127 H128 N144 I146	P60-F77 HydrophobicContact CB-CE2 4.45Å; P60-F77 HydrophobicContact CG-CD2 3.79Å; P60-F77 HydrophobicContact CG-CE2 3.65Å; L65-F77 HydrophobicContact CD2-CE2 3.91Å; L65-F77 HydrophobicContact CD2-CZ 3.69Å; I68-F77 HydrophobicContact CG2-CE1 4.15Å; I68-F77 HydrophobicContact CG2-CE2 4.48Å; I68-F77 HydrophobicContact CG2-CZ 3.8Å; A72-F77 HydrophobicContact CB-CD1 4.47Å; A72-F77 HydrophobicContact CB-CE1 3.89Å; N75-F77 VanDerWaalsContact O-CD1 3.28Å; N75-F77 WeakPolarHBondContact O-CD1 3.46Å; F77-L79 HydrophobicContact CD2-CD2 4.18Å; F77-L79 HydrophobicContact CE2-CD2 3.69Å; F77-I127 CarbonylContact O-C 3.47Å; F77-I127 VanDerWaalsContact O-CA 3.25Å; F77-I127 WeakPolarHBondContact O-CA 3.3Å; F77-I127 WeakPolarHBondContact O-CB 3.29Å; F77-H128 HydrophobicContact CD2-CB 4.24Å; F77-H128 HydrophobicContact CE1-CB 4.09Å; F77-H128 AromaticContact CE1-CG 3.96Å; F77-H128 AromaticContact CE1-ND1 3.39Å; F77-H128 WeakPolarHBondContact CE1-ND1 3.35Å; F77-H128 HydrophobicContact CE2-CB 3.76Å; F77-H128 HydrophobicContact CZ-CB 3.67Å; F77-H128 AromaticContact CZ-CG 3.65Å; F77-H128 AromaticContact CZ-ND1 3.53Å; F77-H128 PolarHBondContact N-O 3.07Å; F77-H128 PolarHBondContact O-N 2.92Å; F77-N144 WeakPolarHBondContact CA-O 3.1Å; F77-N144 HydrophobicContact CB-CB 4.38Å; F77-N144 WeakPolarHBondContact CB-O 3.28Å; F77-I146 HydrophobicContact CB-CD1 4.11Å; F77-I146 HydrophobicContact CB-CG1 3.95Å; F77-I146 HydrophobicContact CD1-CD1 3.48Å; F77-I146 VanDerWaalsContact CD1-CD1 3.48Å; F77-I146 HydrophobicContact CD1-CG1 4.28Å; F77-I146 HydrophobicContact CD2-CB 4.43Å; F77-I146 HydrophobicContact CD2-CD1 3.74Å; F77-I146 HydrophobicContact CD2-CG1 4.08Å; F77-I146 HydrophobicContact CE1-CD1 3.74Å; F77-I146 HydrophobicContact CE2-CD1 3.98Å; F77-I146 HydrophobicContact CG-CD1 3.5Å; F77-I146 VanDerWaalsContact CG-CD1 3.5Å; F77-I146 HydrophobicContact CG-CG1 3.85Å; F77-I146 HydrophobicContact CZ-CD1 3.98Å
78	W	91.1	Very high	67.4	Low	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	139.6	176	-73.7	123.2	0	0	0	113.3	Y37 F39 A42 L59 P60 C125 I127 V137 S141 N143 N144	Y37-W78 PolarHBondContact O-NE1 3.01Å; F39-W78 HydrophobicContact CB-CD2 4.33Å; F39-W78 HydrophobicContact CB-CE3 4.4Å; F39-W78 HydrophobicContact CB-CH2 4.02Å; F39-W78 HydrophobicContact CB-CZ2 3.88Å; F39-W78 HydrophobicContact CB-CZ3 4.28Å; F39-W78 HydrophobicContact CD2-CD2 4.17Å; F39-W78 AromaticContact CD2-CE3 3.9Å; F39-W78 HydrophobicContact CD2-CE3 3.9Å; F39-W78 HydrophobicContact CD2-CZ3 4.3Å; A42-W78 HydrophobicContact CB-CG 4.38Å; L59-W78 HydrophobicContact CD1-CB 3.94Å; L59-W78 HydrophobicContact CD2-CB 3.94Å; P60-W78 WeakPolarHBondContact CD-O 3.44Å; P60-W78 WeakPolarHBondContact CG-O 3Å; W78-C125 HydrophobicContact CE3-CB 4.32Å; W78-C125 HydrophobicContact CH2-CB 4.01Å; W78-C125 HydrophobicContact CZ3-CB 3.5Å; W78-I127 HydrophobicContact CD2-CG2 3.98Å; W78-I127 HydrophobicContact CE3-CG2 3.38Å; W78-I127 HydrophobicContact CH2-CG2 4.36Å; W78-I127 HydrophobicContact CZ3-CG2 3.58Å; W78-V137 HydrophobicContact CE3-CG2 4.46Å; W78-V137 HydrophobicContact CH2-CG2 3.55Å; W78-V137 HydrophobicContact CZ3-CG2 3.34Å; W78-S141 WeakPolarHBondContact CH2-OG 3.31Å; W78-S141 WeakPolarHBondContact CZ2-O 3.36Å; W78-N143 HydrophobicContact CD2-CB 4.02Å; W78-N143 HydrophobicContact CG-CB 4.19Å; W78-N143 WeakPolarHBondContact CH2-ND2 3.22Å; W78-N143 HydrophobicContact CZ2-CB 4.18Å; W78-N143 VanDerWaalsContact CZ2-ND2 3.25Å; W78-N143 WeakPolarHBondContact CZ2-ND2 3.45Å; W78-N144 PolarHBondContact N-O 3.03Å
79	L	87.1	Confident	66.3	Low	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	159.5	162.9	-59.9	-173.6	0	0	0	110.2	F39 P60 L65 F77 Y81 V126 H128 L134	F39-L79 VanDerWaalsContact CE2-O 3.29Å; F39-L79 WeakPolarHBondContact CE2-O 3.25Å; P60-L79 HydrophobicContact CB-CD2 4.29Å; P60-L79 HydrophobicContact CG-CD2 3.87Å; P60-L79 CarbonylContact O-C 3.48Å; P60-L79 VanDerWaalsContact O-CA 3.28Å; P60-L79 WeakPolarHBondContact O-CA 3.34Å; L65-L79 HydrophobicContact CD2-CD2 4.03Å; F77-L79 HydrophobicContact CD2-CD2 4.18Å; F77-L79 HydrophobicContact CE2-CD2 3.69Å; L79-Y81 HydrophobicContact CB-CD2 3.84Å; L79-Y81 HydrophobicContact CD1-CD2 4.04Å; L79-Y81 HydrophobicContact CD1-CE2 4.48Å; L79-Y81 PolarHBondContact O-N 2.78Å; L79-Y81 VanDerWaalsContact O-N 3.11Å; L79-V126 HydrophobicContact CB-CB 4.5Å; L79-V126 HydrophobicContact CD1-CG1 4.03Å; L79-V126 PolarHBondContact N-O 2.82Å; L79-H128 HydrophobicContact CD1-CB 4.25Å; L79-H128 HydrophobicContact CD2-CB 3.91Å; L79-H128 HydrophobicContact CG-CB 4.09Å; L79-L134 HydrophobicContact CD1-CD2 3.44Å; L79-L134 VanDerWaalsContact CD1-CD2 3.44Å
80	E	81.8	Confident	65.7	Low	16 Å²	16	50.5 Å²	50.5	8%	0.075	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-5.6	178.9	-160.2	169.1	-161.9	0	0	114.2	K58 L59 P60 V61 H98	K58-E80 WeakPolarHBondContact CD-OE2 3.4Å; K58-E80 WeakPolarHBondContact CE-OE2 3.34Å; K58-E80 IonicContact NZ-OE2 2.81Å; K58-E80 PolarHBondContact NZ-OE2 3.44Å; L59-E80 HydrophobicContact CB-CB 3.83Å; L59-E80 HydrophobicContact CB-CG 4.31Å; P60-E80 PolarHBondContact O-N 3.46Å; V61-E80 HydrophobicContact CG1-CB 3.79Å; V61-E80 VanDerWaalsContact CG1-OE2 3.32Å; V61-E80 WeakPolarHBondContact CG1-OE2 3.24Å; E80-H98 IonicContact OE1-CE1 3.83Å; E80-H98 PolarHBondContact OE1-CE1 2.81Å; E80-H98 IonicContact OE1-ND1 3.1Å; E80-H98 PolarHBondContact OE1-ND1 3.02Å; E80-H98 IonicContact OE1-NE2 3.49Å; E80-H98 PolarHBondContact OE1-NE2 2.88Å; E80-H98 IonicContact OE2-CD2 3.28Å; E80-H98 IonicContact OE2-CE1 3.59Å; E80-H98 IonicContact OE2-NE2 2.73Å; E80-H98 PolarHBondContact OE2-NE2 3.5Å
81	Y	75	Confident	65.3	Low	6 Å²	6	49.5 Å²	49.5	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.1	-177.8	-64.2	-70	0	0	0	112.7	V61 F62 L79 Y97 I102 V126	V61-Y81 HydrophobicContact CB-CE2 4.11Å; V61-Y81 WeakPolarHBondContact CB-OH 3.45Å; V61-Y81 HydrophobicContact CG1-CE2 4.31Å; F62-Y81 HydrophobicContact CB-CE2 4.29Å; F62-Y81 HydrophobicContact CD1-CE2 4.38Å; F62-Y81 AromaticContact CD1-CZ 3.85Å; F62-Y81 WeakPolarHBondContact CD1-OH 3.34Å; L79-Y81 HydrophobicContact CB-CD2 3.84Å; L79-Y81 HydrophobicContact CD1-CD2 4.04Å; L79-Y81 HydrophobicContact CD1-CE2 4.48Å; L79-Y81 PolarHBondContact O-N 2.78Å; L79-Y81 VanDerWaalsContact O-N 3.11Å; Y81-Y97 HydrophobicContact CD1-CD1 4.24Å; Y81-Y97 HydrophobicContact CD1-CG 4.38Å; Y81-Y97 AromaticContact CE1-CD1 3.35Å; Y81-Y97 HydrophobicContact CE1-CD1 3.35Å; Y81-Y97 HydrophobicContact CE1-CE1 4.08Å; Y81-Y97 AromaticContact CE1-CG 3.64Å; Y81-Y97 HydrophobicContact CE1-CG 3.64Å; Y81-Y97 AromaticContact CZ-CD1 3.99Å; Y81-I102 HydrophobicContact CD1-CD1 4.44Å; Y81-I102 HydrophobicContact CE1-CD1 3.36Å; Y81-I102 HydrophobicContact CE1-CG1 4.1Å; Y81-I102 WeakPolarHBondContact OH-CD1 3.5Å; Y81-V126 PolarHBondContact O-N 3.26Å; Y81-V126 VanDerWaalsContact O-N 3.13Å
82	N	69.7	Low	64.8	Low	17 Å²	17	53.7 Å²	53.7	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	158.3	170.2	71.5	88.4	0	0	0	112	F39 L84 W95 Q96 Y124	F39-N82 HydrophobicContact CE1-CB 3.99Å; F39-N82 HydrophobicContact CZ-CB 3.8Å; N82-L84 PolarHBondContact OD1-N 2.91Å; N82-W95 VanDerWaalsContact C-CE3 3.42Å; N82-Q96 PolarHBondContact N-O 2.94Å; N82-Q96 PolarHBondContact O-N 3.35Å; N82-Y124 CarbonylContact C-O 3.02Å; N82-Y124 WeakPolarHBondContact CA-O 3.18Å; N82-Y124 WeakPolarHBondContact CB-O 3.35Å
83	A	61.3	Low	64.7	Low	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-105	6.8	-178.2	0	0	0	0	0	113.2	F85 T86 I93 W95 P116 Y124	A83-F85 VanDerWaalsContact C-N 3.35Å; A83-F85 PolarHBondContact O-N 3.31Å; A83-T86 VanDerWaalsContact C-CG2 3.5Å; A83-T86 HydrophobicContact CB-CG2 4.47Å; A83-T86 VanDerWaalsContact O-CG2 3.29Å; A83-T86 WeakPolarHBondContact O-CG2 3.2Å; A83-T86 PolarHBondContact O-OG1 2.78Å; A83-I93 HydrophobicContact CB-CD1 4.16Å; A83-I93 HydrophobicContact CB-CG2 3.4Å; A83-I93 VanDerWaalsContact CB-CG2 3.4Å; A83-W95 HydrophobicContact CB-CD2 4.42Å; A83-W95 HydrophobicContact CB-CE3 3.91Å; A83-W95 HydrophobicContact CB-CH2 4.09Å; A83-W95 HydrophobicContact CB-CZ3 3.7Å; A83-P116 HydrophobicContact CB-CG 4.39Å; A83-Y124 HydrophobicContact CB-CD1 4.09Å; A83-Y124 PolarHBondContact N-O 3.49Å
84	L	56.4	Low	64.8	Low	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-15.4	-168.1	-85.6	155.3	0	0	0	114.1	N82 Y124 C139 D188 Y191	N82-L84 PolarHBondContact OD1-N 2.91Å; L84-Y124 HydrophobicContact CD1-CD2 4.1Å; L84-Y124 HydrophobicContact CD1-CG 4.06Å; L84-Y124 HydrophobicContact CD2-CD2 3.83Å; L84-Y124 HydrophobicContact CD2-CE2 4.27Å; L84-Y124 HydrophobicContact CD2-CG 3.96Å; L84-Y124 HydrophobicContact CG-CD1 4.46Å; L84-Y124 HydrophobicContact CG-CD2 4.07Å; L84-Y124 HydrophobicContact CG-CG 3.8Å; L84-C139 HydrophobicContact CD1-CB 4.41Å; L84-C139 WeakPolarHBondContact CD1-SG 3.25Å; L84-D188 HydrophobicContact CD1-CB 4.16Å; L84-D188 VanDerWaalsContact CD1-O 3.26Å; L84-D188 WeakPolarHBondContact CD1-O 3.41Å; L84-D188 HydrophobicContact CD2-CB 3.56Å; L84-Y191 HydrophobicContact CB-CE2 3.68Å; L84-Y191 VanDerWaalsContact CB-CZ 3.49Å; L84-Y191 WeakPolarHBondContact CB-OH 3.39Å; L84-Y191 HydrophobicContact CD1-CE2 3.68Å; L84-Y191 WeakPolarHBondContact CD1-OH 3.32Å; L84-Y191 HydrophobicContact CD2-CE2 4.3Å; L84-Y191 HydrophobicContact CG-CE2 4.02Å; L84-Y191 WeakPolarHBondContact CG-OH 3.42Å
85	F	52	Low	64.9	Low	25 Å²	25	42.4 Å²	42.4	11%	0.11	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	28.2	-179.8	-60.3	-64.1	0	0	0	114.4	A83 Q96 F170 M183 Y191	A83-F85 VanDerWaalsContact C-N 3.35Å; A83-F85 PolarHBondContact O-N 3.31Å; F85-Q96 PolarHBondContact O-NE2 2.91Å; F85-Q96 PolarHBondContact O-OE1 3.01Å; F85-Q96 VanDerWaalsContact O-OE1 3.13Å; F85-F170 HydrophobicContact CB-CE1 3.95Å; F85-F170 HydrophobicContact CB-CZ 3.66Å; F85-F170 AromaticContact CD1-CD1 3.88Å; F85-F170 HydrophobicContact CD1-CD1 3.88Å; F85-F170 HydrophobicContact CD1-CD2 4.35Å; F85-F170 AromaticContact CD1-CE1 3.32Å; F85-F170 HydrophobicContact CD1-CE1 3.32Å; F85-F170 AromaticContact CD1-CE2 3.86Å; F85-F170 HydrophobicContact CD1-CE2 3.86Å; F85-F170 HydrophobicContact CD1-CG 4.37Å; F85-F170 AromaticContact CD1-CZ 3.32Å; F85-F170 HydrophobicContact CD1-CZ 3.32Å; F85-F170 HydrophobicContact CD2-CE1 4.44Å; F85-F170 AromaticContact CD2-CE2 3.81Å; F85-F170 HydrophobicContact CD2-CE2 3.81Å; F85-F170 AromaticContact CD2-CZ 3.6Å; F85-F170 HydrophobicContact CD2-CZ 3.6Å; F85-F170 AromaticContact CE1-CD1 3.92Å; F85-F170 HydrophobicContact CE1-CD1 3.92Å; F85-F170 AromaticContact CE1-CD2 3.87Å; F85-F170 HydrophobicContact CE1-CD2 3.87Å; F85-F170 AromaticContact CE1-CE1 3.78Å; F85-F170 HydrophobicContact CE1-CE1 3.78Å; F85-F170 AromaticContact CE1-CE2 3.71Å; F85-F170 HydrophobicContact CE1-CE2 3.71Å; F85-F170 AromaticContact CE1-CG 3.98Å; F85-F170 HydrophobicContact CE1-CG 3.98Å; F85-F170 AromaticContact CE1-CZ 3.68Å; F85-F170 HydrophobicContact CE1-CZ 3.68Å; F85-F170 HydrophobicContact CE2-CD2 4.32Å; F85-F170 AromaticContact CE2-CE2 3.62Å; F85-F170 HydrophobicContact CE2-CE2 3.62Å; F85-F170 AromaticContact CE2-CZ 3.9Å; F85-F170 HydrophobicContact CE2-CZ 3.9Å; F85-F170 AromaticContact CG-CE1 3.67Å; F85-F170 HydrophobicContact CG-CE1 3.67Å; F85-F170 AromaticContact CG-CE2 3.87Å; F85-F170 HydrophobicContact CG-CE2 3.87Å; F85-F170 AromaticContact CG-CZ 3.23Å; F85-F170 HydrophobicContact CG-CZ 3.23Å; F85-F170 AromaticContact CZ-CD2 3.8Å; F85-F170 HydrophobicContact CZ-CD2 3.8Å; F85-F170 HydrophobicContact CZ-CE1 4.44Å; F85-F170 AromaticContact CZ-CE2 3.54Å; F85-F170 HydrophobicContact CZ-CE2 3.54Å; F85-F170 HydrophobicContact CZ-CG 4.36Å; F85-F170 AromaticContact CZ-CZ 3.9Å; F85-F170 HydrophobicContact CZ-CZ 3.9Å; F85-M183 HydrophobicContact CE1-SD 4.35Å; F85-Y191 HydrophobicContact CD2-CD1 4.46Å; F85-Y191 HydrophobicContact CD2-CE1 4.15Å; F85-Y191 HydrophobicContact CE1-CD1 4.36Å; F85-Y191 HydrophobicContact CE1-CD2 4.39Å; F85-Y191 HydrophobicContact CE1-CG 4.17Å; F85-Y191 AromaticContact CE2-CD1 3.17Å; F85-Y191 HydrophobicContact CE2-CD1 3.17Å; F85-Y191 HydrophobicContact CE2-CD2 4.36Å; F85-Y191 AromaticContact CE2-CE1 3.15Å; F85-Y191 HydrophobicContact CE2-CE1 3.15Å; F85-Y191 HydrophobicContact CE2-CE2 4.36Å; F85-Y191 AromaticContact CE2-CG 3.8Å; F85-Y191 HydrophobicContact CE2-CG 3.8Å; F85-Y191 AromaticContact CE2-CZ 3.8Å; F85-Y191 AromaticContact CZ-CD1 3.12Å; F85-Y191 HydrophobicContact CZ-CD1 3.12Å; F85-Y191 AromaticContact CZ-CD2 3.77Å; F85-Y191 HydrophobicContact CZ-CD2 3.77Å; F85-Y191 AromaticContact CZ-CE1 3.55Å; F85-Y191 HydrophobicContact CZ-CE1 3.55Å; F85-Y191 HydrophobicContact CZ-CE2 4.15Å; F85-Y191 AromaticContact CZ-CG 3.23Å; F85-Y191 HydrophobicContact CZ-CG 3.23Å
86	T	50.1	Low	64	Low	2 Å²	2	40.4 Å²	40.4	1%	0.012	20%	0.197	C	C	.	.			trans	-100.4	127	-169.1	71.2	0	0	0	0	109.3	A83 R88 I93 I94 Q96	A83-T86 VanDerWaalsContact C-CG2 3.5Å; A83-T86 HydrophobicContact CB-CG2 4.47Å; A83-T86 VanDerWaalsContact O-CG2 3.29Å; A83-T86 WeakPolarHBondContact O-CG2 3.2Å; A83-T86 PolarHBondContact O-OG1 2.78Å; T86-R88 PolarHBondContact O-N 2.91Å; T86-I93 HydrophobicContact CG2-CG2 4.32Å; T86-I94 VanDerWaalsContact CB-O 3.26Å; T86-I94 WeakPolarHBondContact CB-O 3.1Å; T86-I94 WeakPolarHBondContact CG2-O 2.7Å; T86-Q96 HydrophobicContact CG2-CG 4.41Å
87	P	45.1	Very low	62.6	Low	46 Å²	46	39.2 Å²	39.2	30%	0.299	19%	0.188	S	C	.	.			trans	-59.8	129.8	175.8	-21.4	31.9	0	0	0	110.1	I89	P87-I89 HydrophobicContact CB-CD1 4.32Å; P87-I89 HydrophobicContact CB-CG1 4.22Å; P87-I89 PolarHBondContact O-N 3.1Å
88	R	52	Low	60.8	Low	90 Å²	90	42.8 Å²	42.8	34%	0.34	21%	0.205	S	C	.	.			trans	-75.9	92.7	173	-62.8	174.8	-173.6	163.2	-18.8	108.9	T86 C119 T179 F180 V181	T86-R88 PolarHBondContact O-N 2.91Å; R88-C119 HydrophobicContact CG-CB 4.3Å; R88-T179 WeakPolarHBondContact CB-O 3.14Å; R88-T179 WeakPolarHBondContact CD-O 3Å; R88-T179 WeakPolarHBondContact CG-O 3.01Å; R88-F180 PolarHBondContact NH1-O 2.88Å; R88-F180 VanDerWaalsContact NH1-O 3.14Å; R88-V181 HydrophobicContact CG-CG2 4.29Å; R88-V181 VanDerWaalsContact NH2-CA 3.27Å
89	I	52.3	Low	58.6	Low	100 Å²	100	48.6 Å²	48.6	51%	0.513	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-113.7	120.2	170.2	-55	176.1	0	0	0	106.7	P87 D91 Y92	P87-I89 HydrophobicContact CB-CD1 4.32Å; P87-I89 HydrophobicContact CB-CG1 4.22Å; P87-I89 PolarHBondContact O-N 3.1Å; I89-D91 PolarHBondContact O-N 3.37Å; I89-Y92 PolarHBondContact O-N 2.89Å
90	D	57.2	Low	56.8	Low	132 Å²	132	51.4 Å²	51.4	71%	0.706	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	38.2	172.9	-55.4	-30.2	0	0	0	115.9	Y92	D90-Y92 HydrophobicContact CB-CD2 3.96Å; D90-Y92 HydrophobicContact CB-CE2 4.18Å; D90-Y92 WeakPolarHBondContact O-CD2 3.24Å; D90-Y92 WeakPolarHBondContact O-CE2 3.21Å; D90-Y92 PolarHBondContact O-N 2.85Å; D90-Y92 VanDerWaalsContact O-N 3.14Å
91	D	53.8	Low	55.4	Low	106 Å²	106	53.8 Å²	53.8	57%	0.567	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	4	-178.6	-62.2	-37.2	0	0	0	116.2	I89	I89-D91 PolarHBondContact O-N 3.37Å
92	Y	52.4	Low	54.3	Low	167 Å²	167	53.8 Å²	53.8	66%	0.655	27%	0.269	S	S	*	.	B	Isolated β-bridge	trans	-88.9	147.5	176.9	-63.1	-78.6	0	0	0	112.5	I89 D90	I89-Y92 PolarHBondContact O-N 2.89Å; D90-Y92 HydrophobicContact CB-CD2 3.96Å; D90-Y92 HydrophobicContact CB-CE2 4.18Å; D90-Y92 WeakPolarHBondContact O-CD2 3.24Å; D90-Y92 WeakPolarHBondContact O-CE2 3.21Å; D90-Y92 PolarHBondContact O-N 2.85Å; D90-Y92 VanDerWaalsContact O-N 3.14Å
93	I	56.3	Low	53.6	Low	14 Å²	14	58.8 Å²	58.8	7%	0.072	29%	0.292	C	S	.	.			trans	-98.5	131.5	168.3	-72.2	175.5	0	0	0	108.9	A83 T86 W95 P116 S118	A83-I93 HydrophobicContact CB-CD1 4.16Å; A83-I93 HydrophobicContact CB-CG2 3.4Å; A83-I93 VanDerWaalsContact CB-CG2 3.4Å; T86-I93 HydrophobicContact CG2-CG2 4.32Å; I93-W95 HydrophobicContact CG2-CD2 4.42Å; I93-P116 HydrophobicContact CD1-CB 3.95Å; I93-P116 HydrophobicContact CD1-CG 4.48Å; I93-S118 WeakPolarHBondContact CD1-O 3.12Å
94	I	56.8	Low	53.2	Low	53 Å²	53	61.7 Å²	61.7	27%	0.272	31%	0.307	S	S	.	.			trans	-105.4	100.4	173.3	-59.4	175.2	0	0	0	108.9	T86	T86-I94 VanDerWaalsContact CB-O 3.26Å; T86-I94 WeakPolarHBondContact CB-O 3.1Å; T86-I94 WeakPolarHBondContact CG2-O 2.7Å
95	W	59.4	Low	53.1	Low	3 Å²	3	65.6 Å²	65.6	1%	0.011	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	140.8	-178.4	-67.3	93.5	0	0	0	113.1	N82 A83 I93 I102 L115 P116 Y124 V126	N82-W95 VanDerWaalsContact C-CE3 3.42Å; A83-W95 HydrophobicContact CB-CD2 4.42Å; A83-W95 HydrophobicContact CB-CE3 3.91Å; A83-W95 HydrophobicContact CB-CH2 4.09Å; A83-W95 HydrophobicContact CB-CZ3 3.7Å; I93-W95 HydrophobicContact CG2-CD2 4.42Å; W95-I102 PolarHBondContact N-O 3Å; W95-I102 PolarHBondContact O-N 3.16Å; W95-I102 VanDerWaalsContact O-O 3.12Å; W95-L115 HydrophobicContact CH2-CD2 4.47Å; W95-L115 HydrophobicContact CZ2-CB 4.15Å; W95-L115 HydrophobicContact CZ2-CD2 4.06Å; W95-P116 HydrophobicContact CH2-CG 3.07Å; W95-P116 HydrophobicContact CZ2-CB 4.4Å; W95-P116 HydrophobicContact CZ2-CG 3.13Å; W95-P116 HydrophobicContact CZ3-CG 4.19Å; W95-Y124 WeakPolarHBondContact CZ3-O 3.35Å; W95-V126 HydrophobicContact CE3-CG2 3.92Å; W95-V126 HydrophobicContact CH2-CG2 3.47Å; W95-V126 VanDerWaalsContact CH2-CG2 3.47Å; W95-V126 HydrophobicContact CZ2-CG2 4.21Å; W95-V126 HydrophobicContact CZ3-CG2 3.34Å
96	Q	55.3	Low	53.4	Low	34 Å²	34	69.3 Å²	69.3	16%	0.159	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145	179.6	-69.9	177.5	0.4	0	0	111.6	N82 F85 T86	N82-Q96 PolarHBondContact N-O 2.94Å; N82-Q96 PolarHBondContact O-N 3.35Å; F85-Q96 PolarHBondContact O-NE2 2.91Å; F85-Q96 PolarHBondContact O-OE1 3.01Å; F85-Q96 VanDerWaalsContact O-OE1 3.13Å; T86-Q96 HydrophobicContact CG2-CG 4.41Å
97	Y	58.4	Low	53.9	Low	10 Å²	10	69.7 Å²	69.7	4%	0.039	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	130.5	161.4	76	-69.4	0	0	0	107.6	V61 E63 Y81 D99 I100 I102	V61-Y97 HydrophobicContact CB-CD2 4.22Å; V61-Y97 HydrophobicContact CB-CE2 4.23Å; V61-Y97 HydrophobicContact CG1-CD2 3.31Å; V61-Y97 HydrophobicContact CG1-CE2 3.77Å; V61-Y97 HydrophobicContact CG1-CG 3.9Å; V61-Y97 HydrophobicContact CG2-CE2 4.28Å; E63-Y97 PolarHBondContact OE1-OH 3.44Å; Y81-Y97 HydrophobicContact CD1-CD1 4.24Å; Y81-Y97 HydrophobicContact CD1-CG 4.38Å; Y81-Y97 AromaticContact CE1-CD1 3.35Å; Y81-Y97 HydrophobicContact CE1-CD1 3.35Å; Y81-Y97 HydrophobicContact CE1-CE1 4.08Å; Y81-Y97 AromaticContact CE1-CG 3.64Å; Y81-Y97 HydrophobicContact CE1-CG 3.64Å; Y81-Y97 AromaticContact CZ-CD1 3.99Å; Y97-D99 PolarHBondContact O-N 2.79Å; Y97-I100 HydrophobicContact CD1-CB 3.94Å; Y97-I100 HydrophobicContact CD1-CG2 4.21Å; Y97-I100 HydrophobicContact CE1-CB 3.47Å; Y97-I100 VanDerWaalsContact CE1-CB 3.47Å; Y97-I100 HydrophobicContact CE1-CD1 4.14Å; Y97-I100 HydrophobicContact CE1-CG1 4.38Å; Y97-I100 HydrophobicContact CE1-CG2 3.41Å; Y97-I100 VanDerWaalsContact CE1-CG2 3.41Å; Y97-I100 HydrophobicContact CE2-CD1 3.97Å; Y97-I100 PolarHBondContact N-O 3.07Å; Y97-I100 VanDerWaalsContact N-O 3.16Å; Y97-I100 PolarHBondContact O-N 2.92Å; Y97-I100 WeakPolarHBondContact OH-CD1 3.46Å; Y97-I102 HydrophobicContact CD1-CD1 3.67Å; Y97-I102 HydrophobicContact CD1-CG1 3.66Å; Y97-I102 HydrophobicContact CE1-CD1 3.29Å; Y97-I102 HydrophobicContact CE1-CG1 3.38Å
98	H	52.8	Low	54.3	Low	77 Å²	77	75.2 Å²	75.2	36%	0.356	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	-135.6	-166.6	-56.4	-58.4	0	0	0	111.8	K58 E80 I100	K58-H98 VanDerWaalsContact CD-NE2 3.27Å; K58-H98 WeakPolarHBondContact CD-NE2 3.49Å; K58-H98 PolarHBondContact NZ-NE2 2.84Å; K58-H98 VanDerWaalsContact NZ-NE2 3.11Å; E80-H98 IonicContact OE1-CE1 3.83Å; E80-H98 PolarHBondContact OE1-CE1 2.81Å; E80-H98 IonicContact OE1-ND1 3.1Å; E80-H98 PolarHBondContact OE1-ND1 3.02Å; E80-H98 IonicContact OE1-NE2 3.49Å; E80-H98 PolarHBondContact OE1-NE2 2.88Å; E80-H98 IonicContact OE2-CD2 3.28Å; E80-H98 IonicContact OE2-CE1 3.59Å; E80-H98 IonicContact OE2-NE2 2.73Å; E80-H98 PolarHBondContact OE2-NE2 3.5Å; H98-I100 VanDerWaalsContact C-N 3.3Å
99	D	45.2	Very low	55	Low	122 Å²	122	81 Å²	81	65%	0.652	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	10.5	175.3	-58.2	-30.9	0	0	0	112.6	Y97 L158	Y97-D99 PolarHBondContact O-N 2.79Å; D99-L158 HydrophobicContact CB-CD2 3.67Å; D99-L158 WeakPolarHBondContact OD2-CD2 3.06Å
100	I	48.6	Very low	55.8	Low	58 Å²	58	79 Å²	79	30%	0.297	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	113.2	-179.2	-57.7	171.6	0	0	0	108.1	Y97 H98 I102	Y97-I100 HydrophobicContact CD1-CB 3.94Å; Y97-I100 HydrophobicContact CD1-CG2 4.21Å; Y97-I100 HydrophobicContact CE1-CB 3.47Å; Y97-I100 VanDerWaalsContact CE1-CB 3.47Å; Y97-I100 HydrophobicContact CE1-CD1 4.14Å; Y97-I100 HydrophobicContact CE1-CG1 4.38Å; Y97-I100 HydrophobicContact CE1-CG2 3.41Å; Y97-I100 VanDerWaalsContact CE1-CG2 3.41Å; Y97-I100 HydrophobicContact CE2-CD1 3.97Å; Y97-I100 PolarHBondContact N-O 3.07Å; Y97-I100 VanDerWaalsContact N-O 3.16Å; Y97-I100 PolarHBondContact O-N 2.92Å; Y97-I100 WeakPolarHBondContact OH-CD1 3.46Å; H98-I100 VanDerWaalsContact C-N 3.3Å; I100-I102 HydrophobicContact CG2-CG1 4.27Å
101	S	52.4	Low	56.8	Low	67 Å²	67	79 Å²	79	47%	0.469	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.7	164.5	-64.7	0	0	0	0	108.4
102	I	53.4	Low	57.8	Low	6 Å²	6	77.5 Å²	77.5	3%	0.031	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.3	169.8	-64.5	-159.4	0	0	0	107.8	F62 Y81 W95 Y97 I100 D106 L107	F62-I102 HydrophobicContact CD1-CD1 3.83Å; F62-I102 HydrophobicContact CE1-CD1 3.5Å; Y81-I102 HydrophobicContact CD1-CD1 4.44Å; Y81-I102 HydrophobicContact CE1-CD1 3.36Å; Y81-I102 HydrophobicContact CE1-CG1 4.1Å; Y81-I102 WeakPolarHBondContact OH-CD1 3.5Å; W95-I102 PolarHBondContact N-O 3Å; W95-I102 PolarHBondContact O-N 3.16Å; W95-I102 VanDerWaalsContact O-O 3.12Å; Y97-I102 HydrophobicContact CD1-CD1 3.67Å; Y97-I102 HydrophobicContact CD1-CG1 3.66Å; Y97-I102 HydrophobicContact CE1-CD1 3.29Å; Y97-I102 HydrophobicContact CE1-CG1 3.38Å; I100-I102 HydrophobicContact CG2-CG1 4.27Å; I102-D106 HydrophobicContact CG2-CB 3.83Å; I102-L107 HydrophobicContact CG2-CD2 4.31Å; I102-L107 HydrophobicContact CG2-CG 4.3Å
103	E	54.1	Low	59.1	Low	121 Å²	121	72 Å²	72	57%	0.565	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-78.6	143.2	166.1	-71	-176.4	-174.2	0	0	109	I105 D106	E103-I105 HydrophobicContact CB-CG2 3.51Å; E103-I105 PolarHBondContact O-N 3.41Å; E103-I105 WeakPolarHBondContact OE2-CG2 3.47Å; E103-D106 PolarHBondContact N-OD2 3.32Å; E103-D106 WeakPolarHBondContact O-CB 3.27Å; E103-D106 PolarHBondContact O-N 2.9Å
104	L	54.1	Low	60.2	Low	61 Å²	61	75 Å²	75	32%	0.319	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-50.8	-25.6	176	-77.2	164.7	0	0	0	113	D106 L107 L115 L117	L104-D106 PolarHBondContact O-N 3.37Å; L104-L107 HydrophobicContact CD2-CD1 4.09Å; L104-L107 WeakPolarHBondContact O-CB 3.48Å; L104-L107 PolarHBondContact O-N 3.19Å; L104-L107 VanDerWaalsContact O-N 3.11Å; L104-L115 HydrophobicContact CD2-CD1 3.88Å; L104-L117 HydrophobicContact CD1-CD2 3.46Å; L104-L117 VanDerWaalsContact CD1-CD2 3.46Å; L104-L117 HydrophobicContact CD2-CD2 4.39Å
105	I	53.5	Low	61	Low	83 Å²	83	73.1 Å²	73.1	43%	0.426	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-58.9	-31.2	174.5	-169.4	146.1	0	0	0	113.4	E103 L107 K108	E103-I105 HydrophobicContact CB-CG2 3.51Å; E103-I105 PolarHBondContact O-N 3.41Å; E103-I105 WeakPolarHBondContact OE2-CG2 3.47Å; I105-L107 VanDerWaalsContact C-N 3.25Å; I105-L107 PolarHBondContact O-N 2.89Å; I105-K108 HydrophobicContact CG1-CD 3.83Å; I105-K108 VanDerWaalsContact CG1-CE 3.49Å; I105-K108 VanDerWaalsContact CG1-NZ 3.33Å; I105-K108 VanDerWaalsContact O-CB 3.24Å; I105-K108 WeakPolarHBondContact O-CB 3.45Å; I105-K108 WeakPolarHBondContact O-CD 3.46Å; I105-K108 WeakPolarHBondContact O-CG 3.29Å; I105-K108 PolarHBondContact O-N 3.38Å
106	D	57.6	Low	61.1	Low	103 Å²	103	73 Å²	73	55%	0.551	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-75.5	-21.3	179.5	-60.1	-40.6	0	0	0	111.4	I102 E103 L104 K108	I102-D106 HydrophobicContact CG2-CB 3.83Å; E103-D106 PolarHBondContact N-OD2 3.32Å; E103-D106 WeakPolarHBondContact O-CB 3.27Å; E103-D106 PolarHBondContact O-N 2.9Å; L104-D106 PolarHBondContact O-N 3.37Å; D106-K108 VanDerWaalsContact C-N 3.26Å; D106-K108 PolarHBondContact O-N 2.82Å
107	L	60.9	Low	61.2	Low	11 Å²	11	76.6 Å²	76.6	6%	0.058	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-80.9	0.8	174	-55.7	-179.6	0	0	0	113.1	I102 L104 I105 K109 M110 L115 L134	I102-L107 HydrophobicContact CG2-CD2 4.31Å; I102-L107 HydrophobicContact CG2-CG 4.3Å; L104-L107 HydrophobicContact CD2-CD1 4.09Å; L104-L107 WeakPolarHBondContact O-CB 3.48Å; L104-L107 PolarHBondContact O-N 3.19Å; L104-L107 VanDerWaalsContact O-N 3.11Å; I105-L107 VanDerWaalsContact C-N 3.25Å; I105-L107 PolarHBondContact O-N 2.89Å; L107-K109 PolarHBondContact O-N 2.85Å; L107-M110 WeakPolarHBondContact O-CB 3.41Å; L107-M110 PolarHBondContact O-N 2.99Å; L107-L115 HydrophobicContact CD1-CD1 4.19Å; L107-L134 HydrophobicContact CD1-CD1 4.29Å; L107-L134 HydrophobicContact CD2-CD1 4.15Å
108	K	54.3	Low	61.2	Low	161 Å²	161	78.1 Å²	78.1	70%	0.7	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-22	-172.9	-90	177.5	176.4	171.4	0	116.2	I105 D106	I105-K108 HydrophobicContact CG1-CD 3.83Å; I105-K108 VanDerWaalsContact CG1-CE 3.49Å; I105-K108 VanDerWaalsContact CG1-NZ 3.33Å; I105-K108 VanDerWaalsContact O-CB 3.24Å; I105-K108 WeakPolarHBondContact O-CB 3.45Å; I105-K108 WeakPolarHBondContact O-CD 3.46Å; I105-K108 WeakPolarHBondContact O-CG 3.29Å; I105-K108 PolarHBondContact O-N 3.38Å; D106-K108 VanDerWaalsContact C-N 3.26Å; D106-K108 PolarHBondContact O-N 2.82Å
109	K	66.4	Low	61.2	Low	211 Å²	211	75.2 Å²	75.2	92%	0.917	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-10.1	177.6	-66.8	-177.2	-179.2	175.8	0	113.6	L107	L107-K109 PolarHBondContact O-N 2.85Å
110	M	69.3	Low	62	Low	60 Å²	60	78.1 Å²	78.1	30%	0.296	39%	0.39	S	S	.	.	S	Bend	trans	-99.5	143.3	-176.8	-57.3	-156.4	167.1	0	0	110.3	F62 L65 L107 T112 L134	F62-M110 HydrophobicContact CB-CE 3.52Å; F62-M110 HydrophobicContact CB-SD 3.89Å; F62-M110 HydrophobicContact CD2-CE 3.9Å; F62-M110 HydrophobicContact CG-CE 4.01Å; L65-M110 HydrophobicContact CD1-CE 4.32Å; L65-M110 HydrophobicContact CD1-SD 4.33Å; L107-M110 WeakPolarHBondContact O-CB 3.41Å; L107-M110 PolarHBondContact O-N 2.99Å; M110-T112 PolarHBondContact O-N 3.13Å; M110-L134 HydrophobicContact CB-CD1 3.94Å; M110-L134 HydrophobicContact CB-CG 4.18Å; M110-L134 HydrophobicContact CG-CD1 4.38Å; M110-L134 HydrophobicContact SD-CD1 3.72Å; M110-L134 HydrophobicContact SD-CD2 4.33Å; M110-L134 HydrophobicContact SD-CG 4.19Å
111	Q	76.9	Confident	62.8	Low	132 Å²	132	76.5 Å²	76.5	62%	0.617	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.6	168.1	-66.5	-174.4	10.8	0	0	107.8	I133 L134	Q111-I133 HydrophobicContact CB-CB 4.33Å; Q111-I133 HydrophobicContact CB-CG1 3.94Å; Q111-I133 HydrophobicContact CB-CG2 4.14Å; Q111-I133 CarbonylContact O-C 3.39Å; Q111-I133 WeakPolarHBondContact O-CA 3.26Å; Q111-I133 WeakPolarHBondContact O-CG2 3.44Å; Q111-L134 PolarHBondContact O-N 3.43Å
112	T	76.2	Confident	63.6	Low	73 Å²	73	78.9 Å²	78.9	45%	0.448	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.9	-179.9	64	0	0	0	0	109.5	M110 L115 L134	M110-T112 PolarHBondContact O-N 3.13Å; T112-L115 HydrophobicContact CG2-CD1 3.48Å; T112-L115 VanDerWaalsContact CG2-CD1 3.48Å; T112-L115 HydrophobicContact CG2-CG 4.4Å; T112-L134 CarbonylContact C-O 3.59Å; T112-L134 VanDerWaalsContact CA-O 3.29Å; T112-L134 WeakPolarHBondContact CA-O 3.28Å; T112-L134 HydrophobicContact CG2-CB 4.22Å; T112-L134 HydrophobicContact CG2-CD1 4.39Å
113	T	79.7	Confident	64.5	Low	51 Å²	51	82 Å²	82	31%	0.313	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.3	170	-173.1	0	0	0	0	108.8	L115 I133 L134 E135 G136	T113-L115 PolarHBondContact O-N 3.11Å; T113-I133 HydrophobicContact CG2-CG2 3.66Å; T113-L134 PolarHBondContact N-O 3.47Å; T113-E135 HydrophobicContact CG2-CB 3.71Å; T113-E135 HydrophobicContact CG2-CG 3.76Å; T113-E135 VanDerWaalsContact O-CA 3.3Å; T113-E135 WeakPolarHBondContact O-CA 3.49Å; T113-G136 PolarHBondContact O-N 3.34Å
114	N	78.1	Confident	65.4	Low	79 Å²	79	76.9 Å²	76.9	42%	0.422	37%	0.371	S	S	.	.	S	Bend	trans	55.1	20.1	170.4	-70.6	-33.8	0	0	0	115.9	R123 E135 G136	N114-R123 PolarHBondContact OD1-NH1 2.93Å; N114-E135 HydrophobicContact CB-CG 4.46Å; N114-G136 WeakPolarHBondContact O-CA 3.43Å
115	L	73.3	Confident	66.6	Low	12 Å²	12	74 Å²	74	6%	0.063	36%	0.356	C	S	.	.			trans	-61.3	132.2	172.9	-70.8	-179.2	0	0	0	108.1	W95 L104 L107 T112 T113 L117 V126	W95-L115 HydrophobicContact CH2-CD2 4.47Å; W95-L115 HydrophobicContact CZ2-CB 4.15Å; W95-L115 HydrophobicContact CZ2-CD2 4.06Å; L104-L115 HydrophobicContact CD2-CD1 3.88Å; L107-L115 HydrophobicContact CD1-CD1 4.19Å; T112-L115 HydrophobicContact CG2-CD1 3.48Å; T112-L115 VanDerWaalsContact CG2-CD1 3.48Å; T112-L115 HydrophobicContact CG2-CG 4.4Å; T113-L115 PolarHBondContact O-N 3.11Å; L115-L117 WeakPolarHBondContact O-CG 3.25Å; L115-L117 PolarHBondContact O-N 3.08Å; L115-V126 HydrophobicContact CD2-CG1 4.17Å; L115-V126 HydrophobicContact CD2-CG2 3.99Å
116	P	61.5	Low	68.1	Low	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.336	C	S	.	.			trans	-60.2	114.8	172.4	29.4	-41.4	0	0	0	109.3	A83 I93 W95 D121 R123	A83-P116 HydrophobicContact CB-CG 4.39Å; I93-P116 HydrophobicContact CD1-CB 3.95Å; I93-P116 HydrophobicContact CD1-CG 4.48Å; W95-P116 HydrophobicContact CH2-CG 3.07Å; W95-P116 HydrophobicContact CZ2-CB 4.4Å; W95-P116 HydrophobicContact CZ2-CG 3.13Å; W95-P116 HydrophobicContact CZ3-CG 4.19Å; P116-D121 VanDerWaalsContact CA-OD2 3.3Å; P116-D121 WeakPolarHBondContact CA-OD2 3.17Å; P116-D121 HydrophobicContact CB-CB 3.49Å; P116-D121 VanDerWaalsContact CB-CB 3.49Å; P116-D121 VanDerWaalsContact CB-CG 3.48Å; P116-R123 WeakPolarHBondContact CD-O 3.36Å; P116-R123 WeakPolarHBondContact CG-O 3.3Å
117	L	58.9	Low	69.6	Low	111 Å²	111	65.6 Å²	65.6	58%	0.581	31%	0.312	S	S	*	.			trans	-99.4	-7.3	177.8	-62.1	-178.9	0	0	0	112	L104 L115	L104-L117 HydrophobicContact CD1-CD2 3.46Å; L104-L117 VanDerWaalsContact CD1-CD2 3.46Å; L104-L117 HydrophobicContact CD2-CD2 4.39Å; L115-L117 WeakPolarHBondContact O-CG 3.25Å; L115-L117 PolarHBondContact O-N 3.08Å
118	S	58.4	Low	71	Confident	42 Å²	42	65.6 Å²	65.6	29%	0.294	31%	0.311	S	S	.	.	S	Bend	trans	-139	152.8	-178.3	75.5	0	0	0	0	111.7	I93 Y120 D121	I93-S118 WeakPolarHBondContact CD1-O 3.12Å; S118-Y120 PolarHBondContact O-N 3.3Å; S118-D121 WeakPolarHBondContact O-CB 3.44Å; S118-D121 PolarHBondContact O-N 3.44Å
119	C	53	Low	72.5	Confident	16 Å²	16	58.8 Å²	58.8	11%	0.108	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-10.2	176.7	64.9	0	0	0	0	114.6	R88	R88-C119 HydrophobicContact CG-CB 4.3Å
120	Y	61.6	Low	73.3	Confident	183 Å²	183	57.1 Å²	57.1	72%	0.718	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-12.7	175.4	-58.5	-68.3	0	0	0	113.2	S118 K122	S118-Y120 PolarHBondContact O-N 3.3Å; Y120-K122 PolarHBondContact O-N 3.48Å
121	D	65.2	Low	73.8	Confident	24 Å²	24	56.8 Å²	56.8	13%	0.128	29%	0.288	C	S	.	.			trans	-80.5	120.3	-178.7	-165.2	-27.7	0	0	0	110.4	P116 S118 R123 Y124	P116-D121 VanDerWaalsContact CA-OD2 3.3Å; P116-D121 WeakPolarHBondContact CA-OD2 3.17Å; P116-D121 HydrophobicContact CB-CB 3.49Å; P116-D121 VanDerWaalsContact CB-CB 3.49Å; P116-D121 VanDerWaalsContact CB-CG 3.48Å; S118-D121 WeakPolarHBondContact O-CB 3.44Å; S118-D121 PolarHBondContact O-N 3.44Å; D121-R123 PolarHBondContact O-N 3.34Å; D121-R123 WeakPolarHBondContact OD1-CB 3.22Å; D121-R123 VanDerWaalsContact OD1-CG 3.32Å; D121-R123 WeakPolarHBondContact OD1-CG 2.97Å; D121-R123 IonicContact OD1-CZ 2.66Å; D121-R123 PolarHBondContact OD1-N 3Å; D121-R123 IonicContact OD1-NE 3.34Å; D121-R123 PolarHBondContact OD1-NE 3.44Å; D121-R123 IonicContact OD1-NH2 3.78Å; D121-R123 IonicContact OD2-CZ 3.47Å; D121-R123 VanDerWaalsContact OD2-CZ 3.29Å; D121-R123 IonicContact OD2-NE 3.42Å; D121-R123 PolarHBondContact OD2-NE 2.89Å; D121-R123 VanDerWaalsContact OD2-NE 3.14Å; D121-R123 IonicContact OD2-NH2 2.75Å; D121-R123 PolarHBondContact OD2-NH2 3.34Å; D121-Y124 WeakPolarHBondContact O-CD1 3.27Å; D121-Y124 WeakPolarHBondContact O-CE1 3.43Å
122	K	69.6	Low	74	Confident	116 Å²	116	52.1 Å²	52.1	50%	0.504	27%	0.274	S	S	.	.	S	Bend	trans	-78	0.3	-177.9	-62.8	-175.8	179.7	-173.7	0	113.7	Y120 Y124 H138	Y120-K122 PolarHBondContact O-N 3.48Å; K122-Y124 VanDerWaalsContact C-N 3.28Å; K122-Y124 WeakPolarHBondContact O-CD2 2.72Å; K122-Y124 PolarHBondContact O-N 3.29Å; K122-H138 VanDerWaalsContact CB-CE1 3.41Å; K122-H138 WeakPolarHBondContact CB-CE1 3.07Å; K122-H138 PolarHBondContact O-ND1 2.98Å
123	R	72.4	Confident	74.3	Confident	71 Å²	71	50.6 Å²	50.6	27%	0.268	26%	0.263	S	S	.	.			trans	-89.1	52.1	-175.2	-66.1	175	-69	-175.3	5.4	112.5	N114 P116 D121 C125 V137	N114-R123 PolarHBondContact OD1-NH1 2.93Å; P116-R123 WeakPolarHBondContact CD-O 3.36Å; P116-R123 WeakPolarHBondContact CG-O 3.3Å; D121-R123 PolarHBondContact O-N 3.34Å; D121-R123 WeakPolarHBondContact OD1-CB 3.22Å; D121-R123 VanDerWaalsContact OD1-CG 3.32Å; D121-R123 WeakPolarHBondContact OD1-CG 2.97Å; D121-R123 IonicContact OD1-CZ 2.66Å; D121-R123 PolarHBondContact OD1-N 3Å; D121-R123 IonicContact OD1-NE 3.34Å; D121-R123 PolarHBondContact OD1-NE 3.44Å; D121-R123 IonicContact OD1-NH2 3.78Å; D121-R123 IonicContact OD2-CZ 3.47Å; D121-R123 VanDerWaalsContact OD2-CZ 3.29Å; D121-R123 IonicContact OD2-NE 3.42Å; D121-R123 PolarHBondContact OD2-NE 2.89Å; D121-R123 VanDerWaalsContact OD2-NE 3.14Å; D121-R123 IonicContact OD2-NH2 2.75Å; D121-R123 PolarHBondContact OD2-NH2 3.34Å; R123-C125 PolarHBondContact O-N 3.41Å; R123-V137 CarbonylContact C-O 3.38Å; R123-V137 VanDerWaalsContact CA-O 3.22Å; R123-V137 WeakPolarHBondContact CA-O 3.11Å
124	Y	72.2	Confident	74.6	Confident	14 Å²	14	48.3 Å²	48.3	6%	0.055	25%	0.249	C	C	.	.			trans	-71.2	-0.7	-166.7	-53.2	-71.1	0	0	0	116.8	N82 A83 L84 W95 D121 K122 V137 D188	N82-Y124 CarbonylContact C-O 3.02Å; N82-Y124 WeakPolarHBondContact CA-O 3.18Å; N82-Y124 WeakPolarHBondContact CB-O 3.35Å; A83-Y124 HydrophobicContact CB-CD1 4.09Å; A83-Y124 PolarHBondContact N-O 3.49Å; L84-Y124 HydrophobicContact CD1-CD2 4.1Å; L84-Y124 HydrophobicContact CD1-CG 4.06Å; L84-Y124 HydrophobicContact CD2-CD2 3.83Å; L84-Y124 HydrophobicContact CD2-CE2 4.27Å; L84-Y124 HydrophobicContact CD2-CG 3.96Å; L84-Y124 HydrophobicContact CG-CD1 4.46Å; L84-Y124 HydrophobicContact CG-CD2 4.07Å; L84-Y124 HydrophobicContact CG-CG 3.8Å; W95-Y124 WeakPolarHBondContact CZ3-O 3.35Å; D121-Y124 WeakPolarHBondContact O-CD1 3.27Å; D121-Y124 WeakPolarHBondContact O-CE1 3.43Å; K122-Y124 VanDerWaalsContact C-N 3.28Å; K122-Y124 WeakPolarHBondContact O-CD2 2.72Å; K122-Y124 PolarHBondContact O-N 3.29Å; Y124-V137 PolarHBondContact N-O 3.23Å; Y124-D188 WeakPolarHBondContact CE2-OD1 3.26Å
125	C	80.1	Confident	75	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	150.8	-177.5	-70.5	0	0	0	0	111.3	F39 W78 R123 G136 V137 C139	F39-C125 HydrophobicContact CB-CB 4.27Å; F39-C125 WeakPolarHBondContact CD1-SG 3.05Å; F39-C125 HydrophobicContact CD2-CB 4Å; F39-C125 HydrophobicContact CG-CB 4.12Å; F39-C125 WeakPolarHBondContact CG-SG 3.5Å; W78-C125 HydrophobicContact CE3-CB 4.32Å; W78-C125 HydrophobicContact CH2-CB 4.01Å; W78-C125 HydrophobicContact CZ3-CB 3.5Å; R123-C125 PolarHBondContact O-N 3.41Å; C125-G136 CarbonylContact O-C 3.45Å; C125-G136 WeakPolarHBondContact O-CA 3.49Å; C125-V137 PolarHBondContact N-O 3.05Å; C125-V137 VanDerWaalsContact N-O 3.12Å; C125-V137 PolarHBondContact O-N 2.91Å; C125-C139 HydrophobicContact CB-CB 4Å; C125-C139 WeakPolarHBondContact CB-SG 3.3Å; C125-C139 PolarHBondContact N-SG 3.4Å; C125-C139 VanDerWaalsContact N-SG 3.44Å; C125-C139 VanDerWaalsContact SG-CA 3.57Å; C125-C139 WeakPolarHBondContact SG-CB 3.17Å; C125-C139 CovalentContact SG-SG 2.03Å; C125-C139 PolarHBondContact SG-SG 2.78Å
126	V	84.6	Confident	75.5	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.6	-176.1	-173.2	0	0	0	0	111.2	L79 Y81 W95 L115 L134 E135	L79-V126 HydrophobicContact CB-CB 4.5Å; L79-V126 HydrophobicContact CD1-CG1 4.03Å; L79-V126 PolarHBondContact N-O 2.82Å; Y81-V126 PolarHBondContact O-N 3.26Å; Y81-V126 VanDerWaalsContact O-N 3.13Å; W95-V126 HydrophobicContact CE3-CG2 3.92Å; W95-V126 HydrophobicContact CH2-CG2 3.47Å; W95-V126 VanDerWaalsContact CH2-CG2 3.47Å; W95-V126 HydrophobicContact CZ2-CG2 4.21Å; W95-V126 HydrophobicContact CZ3-CG2 3.34Å; L115-V126 HydrophobicContact CD2-CG1 4.17Å; L115-V126 HydrophobicContact CD2-CG2 3.99Å; V126-L134 HydrophobicContact CG1-CB 4.15Å; V126-E135 WeakPolarHBondContact CA-O 3.14Å
127	I	89.8	Confident	76.7	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	154.1	165.5	54.9	164.9	0	0	0	110.3	T76 F77 W78 N129 L134 E135 V137 N143	T76-I127 HydrophobicContact CG2-CB 4.08Å; T76-I127 HydrophobicContact CG2-CD1 3.46Å; T76-I127 VanDerWaalsContact CG2-CD1 3.46Å; T76-I127 HydrophobicContact CG2-CG1 4.28Å; T76-I127 HydrophobicContact CG2-CG2 4.46Å; F77-I127 CarbonylContact O-C 3.47Å; F77-I127 VanDerWaalsContact O-CA 3.25Å; F77-I127 WeakPolarHBondContact O-CA 3.3Å; F77-I127 WeakPolarHBondContact O-CB 3.29Å; W78-I127 HydrophobicContact CD2-CG2 3.98Å; W78-I127 HydrophobicContact CE3-CG2 3.38Å; W78-I127 HydrophobicContact CH2-CG2 4.36Å; W78-I127 HydrophobicContact CZ3-CG2 3.58Å; I127-N129 HydrophobicContact CD1-CB 4.38Å; I127-L134 WeakPolarHBondContact O-CA 3.07Å; I127-E135 HydrophobicContact CD1-CB 4.13Å; I127-E135 HydrophobicContact CD1-CG 4.29Å; I127-E135 HydrophobicContact CG1-CB 3.83Å; I127-E135 HydrophobicContact CG1-CG 4.35Å; I127-E135 WeakPolarHBondContact CG1-O 3.46Å; I127-E135 PolarHBondContact N-O 2.81Å; I127-E135 PolarHBondContact O-N 3.47Å; I127-V137 HydrophobicContact CD1-CG1 3.7Å; I127-V137 HydrophobicContact CG1-CG1 3.86Å; I127-V137 HydrophobicContact CG1-CG2 4.26Å; I127-V137 HydrophobicContact CG2-CG2 3.82Å; I127-N143 HydrophobicContact CG2-CB 4.16Å
128	H	88.7	Confident	78	Confident	10 Å²	10	46 Å²	46	5%	0.046	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.9	159.6	177.2	-83.3	0	0	0	108	L65 H69 T76 F77 L79 G132	L65-H128 HydrophobicContact CD2-CB 4.4Å; H69-H128 AromaticContact CE1-CE1 3.65Å; H69-H128 AromaticContact CE1-NE2 3.11Å; H69-H128 PolarHBondContact CE1-NE2 2.81Å; H69-H128 AromaticContact ND1-NE2 3.9Å; H69-H128 AromaticContact NE2-NE2 3.99Å; T76-H128 CarbonylContact C-O 3.56Å; T76-H128 VanDerWaalsContact CA-O 3.25Å; T76-H128 WeakPolarHBondContact CA-O 3.16Å; F77-H128 HydrophobicContact CD2-CB 4.24Å; F77-H128 HydrophobicContact CE1-CB 4.09Å; F77-H128 AromaticContact CE1-CG 3.96Å; F77-H128 AromaticContact CE1-ND1 3.39Å; F77-H128 WeakPolarHBondContact CE1-ND1 3.35Å; F77-H128 HydrophobicContact CE2-CB 3.76Å; F77-H128 HydrophobicContact CZ-CB 3.67Å; F77-H128 AromaticContact CZ-CG 3.65Å; F77-H128 AromaticContact CZ-ND1 3.53Å; F77-H128 PolarHBondContact N-O 3.07Å; F77-H128 PolarHBondContact O-N 2.92Å; L79-H128 HydrophobicContact CD1-CB 4.25Å; L79-H128 HydrophobicContact CD2-CB 3.91Å; L79-H128 HydrophobicContact CG-CB 4.09Å; H128-G132 WeakPolarHBondContact NE2-CA 3.49Å
129	N	87	Confident	79	Confident	19 Å²	19	44.1 Å²	44.1	10%	0.102	22%	0.221	C	C	.	.			trans	-88.6	169.6	-175.8	79	20.5	0	0	0	112.8	I127 G131 G132 I133 E135	I127-N129 HydrophobicContact CD1-CB 4.38Å; N129-G131 PolarHBondContact O-N 3.42Å; N129-G131 WeakPolarHBondContact OD1-CA 3.49Å; N129-G131 PolarHBondContact OD1-N 3.4Å; N129-G132 PolarHBondContact O-N 2.87Å; N129-I133 VanDerWaalsContact CG-O 3.29Å; N129-I133 PolarHBondContact N-O 2.95Å; N129-I133 WeakPolarHBondContact OD1-CB 3.41Å; N129-I133 PolarHBondContact OD1-N 2.94Å; N129-I133 VanDerWaalsContact OD1-N 3.16Å; N129-I133 PolarHBondContact OD1-O 3.02Å; N129-E135 PolarHBondContact ND2-OE2 3.07Å
130	K	82.6	Confident	80.3	Confident	176 Å²	176	47.3 Å²	47.3	77%	0.765	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-18.4	180	67.5	178.6	-178.7	179.5	0	115.2	T76	T76-K130 PolarHBondContact OG1-N 3.35Å
131	G	79.5	Confident	81.5	Confident	53 Å²	53	40.2 Å²	40.2	55%	0.546	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-2	178.9	0	0	0	0	0	114.1	N129 I133	N129-G131 PolarHBondContact O-N 3.42Å; N129-G131 WeakPolarHBondContact OD1-CA 3.49Å; N129-G131 PolarHBondContact OD1-N 3.4Å; G131-I133 VanDerWaalsContact C-N 3.32Å
132	G	81.2	Confident	82.6	Confident	33 Å²	33	41.1 Å²	41.1	34%	0.34	23%	0.229	S	C	.	.	S	Bend	trans	78.7	19.3	-170.4	0	0	0	0	0	113.1	H128 N129	H128-G132 WeakPolarHBondContact NE2-CA 3.49Å; N129-G132 PolarHBondContact O-N 2.87Å
133	I	83.8	Confident	83.6	Confident	41 Å²	41	36.6 Å²	36.6	21%	0.21	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135.2	-174.8	-50.8	175.5	0	0	0	108.5	Q111 T113 N129 G131	Q111-I133 HydrophobicContact CB-CB 4.33Å; Q111-I133 HydrophobicContact CB-CG1 3.94Å; Q111-I133 HydrophobicContact CB-CG2 4.14Å; Q111-I133 CarbonylContact O-C 3.39Å; Q111-I133 WeakPolarHBondContact O-CA 3.26Å; Q111-I133 WeakPolarHBondContact O-CG2 3.44Å; T113-I133 HydrophobicContact CG2-CG2 3.66Å; N129-I133 VanDerWaalsContact CG-O 3.29Å; N129-I133 PolarHBondContact N-O 2.95Å; N129-I133 WeakPolarHBondContact OD1-CB 3.41Å; N129-I133 PolarHBondContact OD1-N 2.94Å; N129-I133 VanDerWaalsContact OD1-N 3.16Å; N129-I133 PolarHBondContact OD1-O 3.02Å; G131-I133 VanDerWaalsContact C-N 3.32Å
134	L	84.1	Confident	84.5	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.4	168.5	-55.9	-171.8	0	0	0	109.3	L79 L107 M110 Q111 T112 T113 V126 I127	L79-L134 HydrophobicContact CD1-CD2 3.44Å; L79-L134 VanDerWaalsContact CD1-CD2 3.44Å; L107-L134 HydrophobicContact CD1-CD1 4.29Å; L107-L134 HydrophobicContact CD2-CD1 4.15Å; M110-L134 HydrophobicContact CB-CD1 3.94Å; M110-L134 HydrophobicContact CB-CG 4.18Å; M110-L134 HydrophobicContact CG-CD1 4.38Å; M110-L134 HydrophobicContact SD-CD1 3.72Å; M110-L134 HydrophobicContact SD-CD2 4.33Å; M110-L134 HydrophobicContact SD-CG 4.19Å; Q111-L134 PolarHBondContact O-N 3.43Å; T112-L134 CarbonylContact C-O 3.59Å; T112-L134 VanDerWaalsContact CA-O 3.29Å; T112-L134 WeakPolarHBondContact CA-O 3.28Å; T112-L134 HydrophobicContact CG2-CB 4.22Å; T112-L134 HydrophobicContact CG2-CD1 4.39Å; T113-L134 PolarHBondContact N-O 3.47Å; V126-L134 HydrophobicContact CG1-CB 4.15Å; I127-L134 WeakPolarHBondContact O-CA 3.07Å
135	E	86.8	Confident	85.3	Confident	51 Å²	51	34.8 Å²	34.8	24%	0.238	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.3	-175.8	177.7	171.5	-170.1	0	0	111.5	T113 N114 V126 I127 N129 V137	T113-E135 HydrophobicContact CG2-CB 3.71Å; T113-E135 HydrophobicContact CG2-CG 3.76Å; T113-E135 VanDerWaalsContact O-CA 3.3Å; T113-E135 WeakPolarHBondContact O-CA 3.49Å; N114-E135 HydrophobicContact CB-CG 4.46Å; V126-E135 WeakPolarHBondContact CA-O 3.14Å; I127-E135 HydrophobicContact CD1-CB 4.13Å; I127-E135 HydrophobicContact CD1-CG 4.29Å; I127-E135 HydrophobicContact CG1-CB 3.83Å; I127-E135 HydrophobicContact CG1-CG 4.35Å; I127-E135 WeakPolarHBondContact CG1-O 3.46Å; I127-E135 PolarHBondContact N-O 2.81Å; I127-E135 PolarHBondContact O-N 3.47Å; N129-E135 PolarHBondContact ND2-OE2 3.07Å; E135-V137 HydrophobicContact CG-CG1 4.05Å
136	G	84.8	Confident	85.7	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129	171.2	0	0	0	0	0	110.4	T113 N114 C125	T113-G136 PolarHBondContact O-N 3.34Å; N114-G136 WeakPolarHBondContact O-CA 3.43Å; C125-G136 CarbonylContact O-C 3.45Å; C125-G136 WeakPolarHBondContact O-CA 3.49Å
137	V	86.7	Confident	85.8	Confident	21 Å²	21	34.6 Å²	34.6	13%	0.127	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	163.4	179.8	-62.5	0	0	0	0	111.1	W78 R123 Y124 C125 I127 E135 C139	W78-V137 HydrophobicContact CE3-CG2 4.46Å; W78-V137 HydrophobicContact CH2-CG2 3.55Å; W78-V137 HydrophobicContact CZ3-CG2 3.34Å; R123-V137 CarbonylContact C-O 3.38Å; R123-V137 VanDerWaalsContact CA-O 3.22Å; R123-V137 WeakPolarHBondContact CA-O 3.11Å; Y124-V137 PolarHBondContact N-O 3.23Å; C125-V137 PolarHBondContact N-O 3.05Å; C125-V137 VanDerWaalsContact N-O 3.12Å; C125-V137 PolarHBondContact O-N 2.91Å; I127-V137 HydrophobicContact CD1-CG1 3.7Å; I127-V137 HydrophobicContact CG1-CG1 3.86Å; I127-V137 HydrophobicContact CG1-CG2 4.26Å; I127-V137 HydrophobicContact CG2-CG2 3.82Å; E135-V137 HydrophobicContact CG-CG1 4.05Å; V137-C139 PolarHBondContact O-N 2.73Å
138	H	85.3	Confident	85.4	Confident	80 Å²	80	34.5 Å²	34.5	37%	0.37	21%	0.205	S	C	.	.			trans	-63.7	134.8	170.5	-67.5	-87.1	0	0	0	110.6	K122 N140 S141	K122-H138 VanDerWaalsContact CB-CE1 3.41Å; K122-H138 WeakPolarHBondContact CB-CE1 3.07Å; K122-H138 PolarHBondContact O-ND1 2.98Å; H138-N140 VanDerWaalsContact CB-OD1 3.22Å; H138-N140 WeakPolarHBondContact CB-OD1 3.46Å; H138-N140 PolarHBondContact O-N 3.34Å; H138-S141 VanDerWaalsContact O-CB 3.3Å; H138-S141 WeakPolarHBondContact O-CB 3.09Å; H138-S141 PolarHBondContact O-N 3.13Å; H138-S141 PolarHBondContact O-OG 3.22Å
139	C	79.2	Confident	85	Confident	3 Å²	3	37 Å²	37	2%	0.02	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.3	-179.1	-60.9	0	0	0	0	113.5	F39 L84 C125 V137 S141	F39-C139 HydrophobicContact CB-CB 4.14Å; F39-C139 PolarHBondContact N-O 2.86Å; L84-C139 HydrophobicContact CD1-CB 4.41Å; L84-C139 WeakPolarHBondContact CD1-SG 3.25Å; C125-C139 HydrophobicContact CB-CB 4Å; C125-C139 WeakPolarHBondContact CB-SG 3.3Å; C125-C139 PolarHBondContact N-SG 3.4Å; C125-C139 VanDerWaalsContact N-SG 3.44Å; C125-C139 VanDerWaalsContact SG-CA 3.57Å; C125-C139 WeakPolarHBondContact SG-CB 3.17Å; C125-C139 CovalentContact SG-SG 2.03Å; C125-C139 PolarHBondContact SG-SG 2.78Å; V137-C139 PolarHBondContact O-N 2.73Å; C139-S141 VanDerWaalsContact C-N 3.31Å
140	N	80.4	Confident	84.2	Confident	83 Å²	83	36.9 Å²	36.9	44%	0.444	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-0.5	174.9	69.3	4.2	0	0	0	114.2	H138 E186	H138-N140 VanDerWaalsContact CB-OD1 3.22Å; H138-N140 WeakPolarHBondContact CB-OD1 3.46Å; H138-N140 PolarHBondContact O-N 3.34Å; N140-E186 PolarHBondContact ND2-O 3.38Å
141	S	86.6	Confident	83.2	Confident	35 Å²	35	31.3 Å²	31.3	25%	0.245	20%	0.202	C	C	.	.	S	Bend	trans	-71.8	143.7	175.7	63.3	0	0	0	0	111.4	W78 H138 C139 N143	W78-S141 WeakPolarHBondContact CH2-OG 3.31Å; W78-S141 WeakPolarHBondContact CZ2-O 3.36Å; H138-S141 VanDerWaalsContact O-CB 3.3Å; H138-S141 WeakPolarHBondContact O-CB 3.09Å; H138-S141 PolarHBondContact O-N 3.13Å; H138-S141 PolarHBondContact O-OG 3.22Å; C139-S141 VanDerWaalsContact C-N 3.31Å; S141-N143 PolarHBondContact O-N 3.3Å; S141-N143 PolarHBondContact OG-ND2 2.99Å
142	G	88.9	Confident	81.6	Confident	42 Å²	42	34.6 Å²	34.6	43%	0.433	21%	0.206	S	C	.	.			trans	-82.8	114.3	175.3	0	0	0	0	0	111.6
143	N	90.7	Very high	79.9	Confident	22 Å²	22	40.4 Å²	40.4	12%	0.118	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-127.7	163.1	175.6	-65.9	-76.3	0	0	0	112.3	K36 Y37 W78 I127 S141	K36-N143 VanDerWaalsContact CA-O 3.27Å; K36-N143 WeakPolarHBondContact CA-O 3.02Å; Y37-N143 PolarHBondContact N-O 2.91Å; Y37-N143 PolarHBondContact O-N 2.82Å; W78-N143 HydrophobicContact CD2-CB 4.02Å; W78-N143 HydrophobicContact CG-CB 4.19Å; W78-N143 WeakPolarHBondContact CH2-ND2 3.22Å; W78-N143 HydrophobicContact CZ2-CB 4.18Å; W78-N143 VanDerWaalsContact CZ2-ND2 3.25Å; W78-N143 WeakPolarHBondContact CZ2-ND2 3.45Å; I127-N143 HydrophobicContact CG2-CB 4.16Å; S141-N143 PolarHBondContact O-N 3.3Å; S141-N143 PolarHBondContact OG-ND2 2.99Å
144	N	91.3	Very high	78.2	Confident	46 Å²	46	41.7 Å²	41.7	25%	0.246	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-69.3	154.8	176.5	-51.9	-51.9	0	0	0	110.2	T76 F77 W78	T76-N144 VanDerWaalsContact O-CB 3.24Å; T76-N144 WeakPolarHBondContact O-CB 3.05Å; T76-N144 PolarHBondContact O-ND2 2.94Å; F77-N144 WeakPolarHBondContact CA-O 3.1Å; F77-N144 HydrophobicContact CB-CB 4.38Å; F77-N144 WeakPolarHBondContact CB-O 3.28Å; W78-N144 PolarHBondContact N-O 3.03Å
145	V	88.8	Confident	76.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.			trans	-119.8	129.9	-177.5	-175.3	0	0	0	0	109.4	M33 Y37 A42 L59	M33-V145 HydrophobicContact CB-CB 3.84Å; M33-V145 HydrophobicContact CB-CG2 4.47Å; M33-V145 HydrophobicContact CG-CB 3.65Å; M33-V145 HydrophobicContact CG-CG1 3.77Å; M33-V145 HydrophobicContact CG-CG2 4.43Å; M33-V145 PolarHBondContact N-O 3.48Å; Y37-V145 HydrophobicContact CD2-CG2 3.64Å; Y37-V145 HydrophobicContact CG-CG2 4.2Å; A42-V145 HydrophobicContact CB-CB 4.3Å; A42-V145 HydrophobicContact CB-CG1 3.94Å; A42-V145 HydrophobicContact CB-CG2 3.39Å; L59-V145 HydrophobicContact CD2-CG1 3.77Å
146	I	88.6	Confident	73.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.2	163.4	-54.6	-177	0	0	0	105.4	Y30 Y31 F32 P60 I68 A72 F77 V148	Y30-I146 HydrophobicContact CD2-CG2 4.19Å; Y30-I146 HydrophobicContact CG-CG2 4.26Å; Y31-I146 CarbonylContact O-C 3.57Å; Y31-I146 WeakPolarHBondContact O-CA 3.46Å; F32-I146 HydrophobicContact CD1-CD1 4.1Å; F32-I146 HydrophobicContact CD1-CG1 3.64Å; F32-I146 HydrophobicContact CE1-CD1 3.35Å; F32-I146 HydrophobicContact CE1-CG1 3.45Å; F32-I146 VanDerWaalsContact CE1-CG1 3.45Å; F32-I146 HydrophobicContact CZ-CD1 3.93Å; F32-I146 HydrophobicContact CZ-CG1 4.32Å; P60-I146 WeakPolarHBondContact CD-O 3.32Å; P60-I146 HydrophobicContact CG-CB 4.34Å; I68-I146 HydrophobicContact CD1-CG2 4.35Å; I68-I146 HydrophobicContact CG2-CD1 3.68Å; A72-I146 HydrophobicContact CB-CD1 4Å; F77-I146 HydrophobicContact CB-CD1 4.11Å; F77-I146 HydrophobicContact CB-CG1 3.95Å; F77-I146 HydrophobicContact CD1-CD1 3.48Å; F77-I146 VanDerWaalsContact CD1-CD1 3.48Å; F77-I146 HydrophobicContact CD1-CG1 4.28Å; F77-I146 HydrophobicContact CD2-CB 4.43Å; F77-I146 HydrophobicContact CD2-CD1 3.74Å; F77-I146 HydrophobicContact CD2-CG1 4.08Å; F77-I146 HydrophobicContact CE1-CD1 3.74Å; F77-I146 HydrophobicContact CE2-CD1 3.98Å; F77-I146 HydrophobicContact CG-CD1 3.5Å; F77-I146 VanDerWaalsContact CG-CD1 3.5Å; F77-I146 HydrophobicContact CG-CG1 3.85Å; F77-I146 HydrophobicContact CZ-CD1 3.98Å; I146-V148 HydrophobicContact CG2-CG1 4.34Å
147	C	86.2	Confident	71.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.6	170.2	-56.1	0	0	0	0	108.2	Y30 Y31 M33 C46 W57 K58	Y30-C147 CarbonylContact C-O 3.59Å; Y30-C147 WeakPolarHBondContact CA-O 3.21Å; Y30-C147 WeakPolarHBondContact CB-O 3.45Å; Y31-C147 PolarHBondContact N-O 3.49Å; Y31-C147 PolarHBondContact O-N 3.32Å; M33-C147 WeakPolarHBondContact CE-SG 3.43Å; C46-C147 WeakPolarHBondContact CA-SG 3.3Å; C46-C147 HydrophobicContact CB-CB 3.75Å; C46-C147 WeakPolarHBondContact CB-SG 3.15Å; C46-C147 WeakPolarHBondContact SG-CA 3.33Å; C46-C147 WeakPolarHBondContact SG-CB 3.32Å; C46-C147 CovalentContact SG-SG 2.04Å; C46-C147 PolarHBondContact SG-SG 3.04Å; W57-C147 HydrophobicContact CB-CB 4.4Å; W57-C147 HydrophobicContact CD2-CB 4.26Å; W57-C147 HydrophobicContact CE3-CB 3.52Å; W57-C147 HydrophobicContact CZ3-CB 4.2Å; K58-C147 CarbonylContact O-C 3.52Å; K58-C147 VanDerWaalsContact O-CA 3.26Å; K58-C147 WeakPolarHBondContact O-CA 3.22Å
148	V	83.2	Confident	68.9	Low	6 Å²	6	52.3 Å²	52.3	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.2	176.3	-57.9	0	0	0	0	109.7	N29 W57 K58 P60 D64 I68 I146 A150	N29-V148 CarbonylContact O-C 3.57Å; N29-V148 WeakPolarHBondContact O-CA 3.47Å; W57-V148 VanDerWaalsContact CA-O 3.3Å; W57-V148 WeakPolarHBondContact CA-O 3.41Å; K58-V148 HydrophobicContact CG-CG2 3.69Å; K58-V148 PolarHBondContact N-O 3.04Å; K58-V148 PolarHBondContact O-N 2.81Å; P60-V148 HydrophobicContact CB-CG1 3.91Å; D64-V148 HydrophobicContact CB-CG1 4.16Å; D64-V148 WeakPolarHBondContact OD2-CG2 3.37Å; I68-V148 HydrophobicContact CD1-CG1 3.78Å; I146-V148 HydrophobicContact CG2-CG1 4.34Å; V148-A150 PolarHBondContact O-N 2.97Å
149	E	79.6	Confident	66.6	Low	62 Å²	62	52.8 Å²	52.8	29%	0.29	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	122.7	170.3	-173.3	168.6	-172.6	0	0	109.8	N29 K55 R56 S151	N29-E149 HydrophobicContact CB-CB 4.14Å; N29-E149 PolarHBondContact O-N 3.12Å; K55-E149 HydrophobicContact CD-CG 4.49Å; K55-E149 IonicContact NZ-OE1 2.87Å; K55-E149 IonicContact NZ-OE2 3.14Å; K55-E149 PolarHBondContact NZ-OE2 3.44Å; R56-E149 CarbonylContact O-C 3.55Å; R56-E149 WeakPolarHBondContact O-CA 3.43Å; E149-S151 PolarHBondContact O-N 3.33Å
150	A	70.2	Confident	64.5	Low	16 Å²	16	60 Å²	60	13%	0.132	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-64.5	126	178.1	0	0	0	0	0	110.5	R56 K58 V148 I152	R56-A150 HydrophobicContact CB-CB 4.06Å; R56-A150 WeakPolarHBondContact O-CB 3.23Å; R56-A150 PolarHBondContact O-N 2.03Å; K58-A150 HydrophobicContact CD-CB 3.94Å; K58-A150 HydrophobicContact CG-CB 4.29Å; V148-A150 PolarHBondContact O-N 2.97Å; A150-I152 PolarHBondContact O-N 2.81Å
151	S	62.1	Low	62.3	Low	59 Å²	59	59.1 Å²	59.1	41%	0.413	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-61.1	128.3	173.9	172.7	0	0	0	0	111.1	E149 Q153 H154 V155	E149-S151 PolarHBondContact O-N 3.33Å; S151-Q153 PolarHBondContact O-N 3.13Å; S151-Q153 VanDerWaalsContact O-N 3.11Å; S151-Q153 PolarHBondContact OG-N 2.66Å; S151-H154 PolarHBondContact O-N 2.87Å; S151-V155 PolarHBondContact O-N 3.47Å
152	I	45.7	Very low	59.7	Low	123 Å²	123	66 Å²	66	63%	0.631	35%	0.354	S	S	*	.	H	α-helix	trans	-56.8	-27.6	177.3	-64.9	170.8	0	0	0	111.5	A150 V155 N156	A150-I152 PolarHBondContact O-N 2.81Å; I152-V155 WeakPolarHBondContact O-CB 3.23Å; I152-V155 PolarHBondContact O-N 3.35Å; I152-N156 WeakPolarHBondContact CG2-ND2 3.34Å; I152-N156 WeakPolarHBondContact O-CB 3.09Å; I152-N156 VanDerWaalsContact O-CG 3.26Å; I152-N156 PolarHBondContact O-N 3.35Å
153	Q	46	Very low	57	Low	155 Å²	155	67.7 Å²	67.7	72%	0.724	36%	0.359	S	S	*	.	H	α-helix	trans	-66.8	-37	176.5	-71	-178	-12.4	0	0	112.8	S151 N156 K157	S151-Q153 PolarHBondContact O-N 3.13Å; S151-Q153 VanDerWaalsContact O-N 3.11Å; S151-Q153 PolarHBondContact OG-N 2.66Å; Q153-N156 PolarHBondContact O-N 3.06Å; Q153-K157 WeakPolarHBondContact O-CB 3.09Å; Q153-K157 PolarHBondContact O-N 3.14Å
154	H	46.4	Very low	53.8	Low	67 Å²	67	70.6 Å²	70.6	31%	0.31	38%	0.381	S	S	.	.	H	α-helix	trans	-69.2	-40.2	173.5	-81.1	-96.1	0	0	0	110.7	S151 N156 K157 L158	S151-H154 PolarHBondContact O-N 2.87Å; H154-N156 VanDerWaalsContact C-N 3.34Å; H154-N156 PolarHBondContact O-N 2.68Å; H154-K157 PolarHBondContact O-N 2.8Å; H154-L158 WeakPolarHBondContact O-CD1 3.29Å; H154-L158 VanDerWaalsContact O-CG 3.25Å; H154-L158 WeakPolarHBondContact O-CG 2.97Å; H154-L158 PolarHBondContact O-N 2.78Å; H154-L158 VanDerWaalsContact O-N 3.12Å
155	V	41.8	Very low	50.6	Low	19 Å²	19	70.4 Å²	70.4	12%	0.115	38%	0.38	C	S	.	.	H	α-helix	trans	-60.1	-42.2	174.1	171.6	0	0	0	0	111.9	S151 I152 L158 L159	S151-V155 PolarHBondContact O-N 3.47Å; I152-V155 WeakPolarHBondContact O-CB 3.23Å; I152-V155 PolarHBondContact O-N 3.35Å; V155-L158 WeakPolarHBondContact O-CB 3.2Å; V155-L158 PolarHBondContact O-N 3.34Å; V155-L159 HydrophobicContact CG1-CD1 3.96Å; V155-L159 VanDerWaalsContact O-CG 3.27Å; V155-L159 WeakPolarHBondContact O-CG 2.72Å; V155-L159 PolarHBondContact O-N 3.11Å; V155-L159 VanDerWaalsContact O-N 3.07Å
156	N	31.5	Very low	47.5	Very low	81 Å²	81	73.4 Å²	73.4	43%	0.433	40%	0.395	S	S	.	.	H	α-helix	trans	-77.2	-33.7	-178.6	-70	-9.2	0	0	0	113	I152 Q153 H154 L158 L159 D160	I152-N156 WeakPolarHBondContact CG2-ND2 3.34Å; I152-N156 WeakPolarHBondContact O-CB 3.09Å; I152-N156 VanDerWaalsContact O-CG 3.26Å; I152-N156 PolarHBondContact O-N 3.35Å; Q153-N156 PolarHBondContact O-N 3.06Å; H154-N156 VanDerWaalsContact C-N 3.34Å; H154-N156 PolarHBondContact O-N 2.68Å; N156-L158 PolarHBondContact O-N 2.99Å; N156-L159 PolarHBondContact O-N 3.18Å; N156-D160 PolarHBondContact O-N 2.78Å
157	K	38.1	Very low	44.5	Very low	167 Å²	167	77.3 Å²	77.3	73%	0.726	42%	0.416	S	S	*	.	H	α-helix	trans	-61.7	-35.5	170.9	-99.5	-172.9	176.2	-178.3	0	112.5	Q153 H154	Q153-K157 WeakPolarHBondContact O-CB 3.09Å; Q153-K157 PolarHBondContact O-N 3.14Å; H154-K157 PolarHBondContact O-N 2.8Å
158	L	37.3	Very low	41.8	Very low	32 Å²	32	80.3 Å²	80.3	17%	0.168	43%	0.429	C	S	.	.	H	α-helix	trans	-59.8	-62.4	166.8	-64.1	162.2	0	0	0	106.3	D99 H154 V155 N156 D160 T161 I165	D99-L158 HydrophobicContact CB-CD2 3.67Å; D99-L158 WeakPolarHBondContact OD2-CD2 3.06Å; H154-L158 WeakPolarHBondContact O-CD1 3.29Å; H154-L158 VanDerWaalsContact O-CG 3.25Å; H154-L158 WeakPolarHBondContact O-CG 2.97Å; H154-L158 PolarHBondContact O-N 2.78Å; H154-L158 VanDerWaalsContact O-N 3.12Å; V155-L158 WeakPolarHBondContact O-CB 3.2Å; V155-L158 PolarHBondContact O-N 3.34Å; N156-L158 PolarHBondContact O-N 2.99Å; L158-D160 PolarHBondContact O-N 2.58Å; L158-T161 PolarHBondContact O-N 3.11Å; L158-T161 PolarHBondContact O-OG1 3.21Å; L158-I165 HydrophobicContact CB-CD1 3.55Å; L158-I165 HydrophobicContact CB-CG1 4.29Å; L158-I165 WeakPolarHBondContact O-CD1 3.25Å
159	L	36.2	Very low	39.2	Very low	90 Å²	90	82.8 Å²	82.8	47%	0.471	44%	0.439	S	S	.	.	H	α-helix	trans	-54.7	-24.2	-169.1	-70.3	164.7	0	0	0	116.1	V155 N156 T161 I165	V155-L159 HydrophobicContact CG1-CD1 3.96Å; V155-L159 VanDerWaalsContact O-CG 3.27Å; V155-L159 WeakPolarHBondContact O-CG 2.72Å; V155-L159 PolarHBondContact O-N 3.11Å; V155-L159 VanDerWaalsContact O-N 3.07Å; N156-L159 PolarHBondContact O-N 3.18Å; L159-T161 VanDerWaalsContact C-N 3.3Å; L159-T161 PolarHBondContact O-N 3.06Å; L159-I165 HydrophobicContact CD2-CB 4.12Å; L159-I165 HydrophobicContact CD2-CG2 4.02Å; L159-I165 VanDerWaalsContact N-CD1 3.31Å
160	D	35.6	Very low	36.8	Very low	155 Å²	155	83.9 Å²	83.9	83%	0.829	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-7.3	176.6	-101.9	-13.3	0	0	0	114.6	N156 L158	N156-D160 PolarHBondContact O-N 2.78Å; L158-D160 PolarHBondContact O-N 2.58Å
161	T	34	Very low	34.8	Very low	64 Å²	64	85.2 Å²	85.2	39%	0.393	45%	0.449	S	S	.	.	S	Bend	trans	-80.3	128.4	168.6	63.1	0	0	0	0	109.2	L158 L159 S163	L158-T161 PolarHBondContact O-N 3.11Å; L158-T161 PolarHBondContact O-OG1 3.21Å; L159-T161 VanDerWaalsContact C-N 3.3Å; L159-T161 PolarHBondContact O-N 3.06Å; T161-S163 WeakPolarHBondContact CB-OG 3.26Å; T161-S163 CarbonylContact O-C 3.59Å; T161-S163 PolarHBondContact O-N 3.46Å; T161-S163 PolarHBondContact OG1-OG 3.27Å
162	N	32.5	Very low	33.3	Very low	181 Å²	181	86.5 Å²	86.5	97%	0.968	45%	0.451	S	S	*	.	S	Bend	trans	-60.1	-3.5	175.8	-110.4	-14.6	0	0	0	113.5	S164	N162-S164 PolarHBondContact O-N 3.03Å
163	S	31	Very low	32.4	Very low	76 Å²	76	87.7 Å²	87.7	53%	0.531	45%	0.454	S	S	.	.	S	Bend	trans	-67.3	111.6	161.8	17.3	0	0	0	0	109.2	T161 I165	T161-S163 WeakPolarHBondContact CB-OG 3.26Å; T161-S163 CarbonylContact O-C 3.59Å; T161-S163 PolarHBondContact O-N 3.46Å; T161-S163 PolarHBondContact OG1-OG 3.27Å; S163-I165 PolarHBondContact O-N 2.98Å
164	S	24.1	Very low	31.7	Very low	83 Å²	83	88.7 Å²	88.7	58%	0.58	46%	0.456	S	S	*	.			trans	-53.9	94.7	-179.6	65.6	0	0	0	0	112.3	N162 L166 K168	N162-S164 PolarHBondContact O-N 3.03Å; S164-L166 PolarHBondContact O-N 3.35Å; S164-K168 WeakPolarHBondContact O-CD 3.39Å; S164-K168 PolarHBondContact O-NZ 3.46Å; S164-K168 PolarHBondContact OG-NZ 3.14Å
165	I	23.4	Very low	31.1	Very low	43 Å²	43	90.9 Å²	90.9	22%	0.221	48%	0.478	C	S	.	.			trans	-73.9	90.2	170.7	-72	141.3	0	0	0	107.3	L158 L159 S163	L158-I165 HydrophobicContact CB-CD1 3.55Å; L158-I165 HydrophobicContact CB-CG1 4.29Å; L158-I165 WeakPolarHBondContact O-CD1 3.25Å; L159-I165 HydrophobicContact CD2-CB 4.12Å; L159-I165 HydrophobicContact CD2-CG2 4.02Å; L159-I165 VanDerWaalsContact N-CD1 3.31Å; S163-I165 PolarHBondContact O-N 2.98Å
166	L	24.2	Very low	31	Very low	62 Å²	62	94.2 Å²	94.2	33%	0.325	50%	0.499	S	S	.	.	S	Bend		-83.9	160.6	127.6	-93	83.7	0	0	0	105.4	S164 K168	S164-L166 PolarHBondContact O-N 3.35Å; L166-K168 HydrophobicContact CB-CB 3.48Å; L166-K168 VanDerWaalsContact CB-CB 3.48Å; L166-K168 HydrophobicContact CB-CD 3.63Å; L166-K168 HydrophobicContact CB-CG 3.45Å; L166-K168 VanDerWaalsContact CB-CG 3.45Å; L166-K168 HydrophobicContact CD1-CD 4.26Å; L166-K168 HydrophobicContact CD2-CG 4.44Å; L166-K168 HydrophobicContact CG-CD 4.4Å; L166-K168 HydrophobicContact CG-CG 4.4Å; L166-K168 VanDerWaalsContact O-CB 3.22Å; L166-K168 WeakPolarHBondContact O-CB 2.89Å; L166-K168 PolarHBondContact O-N 3.45Å
167	L	25.8	Very low	31.5	Very low	83 Å²	83	94.8 Å²	94.8	44%	0.435	50%	0.502	S	S	.	.	S	Bend	trans	-53.9	96.2	142.8	-66.4	99.8	0	0	0	104.6	Y47 F194	Y47-L167 HydrophobicContact CE2-CD2 3.98Å; L167-F194 HydrophobicContact CB-CB 4.15Å; L167-F194 HydrophobicContact CB-CD1 3.92Å; L167-F194 HydrophobicContact CB-CD2 4.34Å; L167-F194 HydrophobicContact CB-CE1 4.42Å; L167-F194 HydrophobicContact CB-CG 3.88Å; L167-F194 HydrophobicContact CD2-CE1 4.31Å; L167-F194 HydrophobicContact CD2-CZ 4.26Å; L167-F194 WeakPolarHBondContact O-CB 3.35Å
168	K	29.2	Very low	31.6	Very low	62 Å²	62	93.2 Å²	93.2	27%	0.27	51%	0.506	S	S	.	.			trans	-135.7	96.7	-155.6	-141.1	176.7	-139.1	151.6	0	110.7	S164 L166 F194 K196	S164-K168 WeakPolarHBondContact O-CD 3.39Å; S164-K168 PolarHBondContact O-NZ 3.46Å; S164-K168 PolarHBondContact OG-NZ 3.14Å; L166-K168 HydrophobicContact CB-CB 3.48Å; L166-K168 VanDerWaalsContact CB-CB 3.48Å; L166-K168 HydrophobicContact CB-CD 3.63Å; L166-K168 HydrophobicContact CB-CG 3.45Å; L166-K168 VanDerWaalsContact CB-CG 3.45Å; L166-K168 HydrophobicContact CD1-CD 4.26Å; L166-K168 HydrophobicContact CD2-CG 4.44Å; L166-K168 HydrophobicContact CG-CD 4.4Å; L166-K168 HydrophobicContact CG-CG 4.4Å; L166-K168 VanDerWaalsContact O-CB 3.22Å; L166-K168 WeakPolarHBondContact O-CB 2.89Å; L166-K168 PolarHBondContact O-N 3.45Å; K168-F194 CarbonylContact C-O 3.45Å; K168-F194 VanDerWaalsContact CA-O 3.23Å; K168-F194 WeakPolarHBondContact CA-O 3.33Å; K168-K196 HydrophobicContact CG-CB 4.42Å
169	K	28.1	Very low	31.7	Very low	59 Å²	59	94.2 Å²	94.2	26%	0.257	51%	0.514	S	S	.	.			trans	63.4	88.2	132.5	-147.7	-177.5	176.6	-126.8	0	109.2	T171 E173 F194 T195	K169-T171 HydrophobicContact CD-CG2 4.08Å; K169-T171 WeakPolarHBondContact CD-OG1 3Å; K169-T171 WeakPolarHBondContact CE-OG1 3.04Å; K169-T171 HydrophobicContact CG-CG2 4.04Å; K169-T171 WeakPolarHBondContact CG-OG1 3.22Å; K169-T171 VanDerWaalsContact NZ-CG2 3.25Å; K169-T171 PolarHBondContact NZ-OG1 2.98Å; K169-T171 PolarHBondContact O-N 2.81Å; K169-E173 IonicContact NZ-OE1 2.89Å; K169-E173 IonicContact NZ-OE2 2.71Å; K169-E173 PolarHBondContact NZ-OE2 3.26Å; K169-F194 WeakPolarHBondContact CA-O 3.16Å; K169-F194 VanDerWaalsContact CB-O 3.23Å; K169-F194 WeakPolarHBondContact CB-O 3.46Å; K169-F194 PolarHBondContact N-O 3.06Å; K169-T195 HydrophobicContact CD-CG2 4.45Å; K169-T195 HydrophobicContact CG-CG2 4.03Å
170	F	30.7	Very low	32	Very low	85 Å²	85	93 Å²	93	37%	0.373	51%	0.505	S	S	.	.			trans	-61.7	47.7	140.9	-78.4	-74	0	0	0	110	F85 I172 L193	F85-F170 HydrophobicContact CB-CE1 3.95Å; F85-F170 HydrophobicContact CB-CZ 3.66Å; F85-F170 AromaticContact CD1-CD1 3.88Å; F85-F170 HydrophobicContact CD1-CD1 3.88Å; F85-F170 HydrophobicContact CD1-CD2 4.35Å; F85-F170 AromaticContact CD1-CE1 3.32Å; F85-F170 HydrophobicContact CD1-CE1 3.32Å; F85-F170 AromaticContact CD1-CE2 3.86Å; F85-F170 HydrophobicContact CD1-CE2 3.86Å; F85-F170 HydrophobicContact CD1-CG 4.37Å; F85-F170 AromaticContact CD1-CZ 3.32Å; F85-F170 HydrophobicContact CD1-CZ 3.32Å; F85-F170 HydrophobicContact CD2-CE1 4.44Å; F85-F170 AromaticContact CD2-CE2 3.81Å; F85-F170 HydrophobicContact CD2-CE2 3.81Å; F85-F170 AromaticContact CD2-CZ 3.6Å; F85-F170 HydrophobicContact CD2-CZ 3.6Å; F85-F170 AromaticContact CE1-CD1 3.92Å; F85-F170 HydrophobicContact CE1-CD1 3.92Å; F85-F170 AromaticContact CE1-CD2 3.87Å; F85-F170 HydrophobicContact CE1-CD2 3.87Å; F85-F170 AromaticContact CE1-CE1 3.78Å; F85-F170 HydrophobicContact CE1-CE1 3.78Å; F85-F170 AromaticContact CE1-CE2 3.71Å; F85-F170 HydrophobicContact CE1-CE2 3.71Å; F85-F170 AromaticContact CE1-CG 3.98Å; F85-F170 HydrophobicContact CE1-CG 3.98Å; F85-F170 AromaticContact CE1-CZ 3.68Å; F85-F170 HydrophobicContact CE1-CZ 3.68Å; F85-F170 HydrophobicContact CE2-CD2 4.32Å; F85-F170 AromaticContact CE2-CE2 3.62Å; F85-F170 HydrophobicContact CE2-CE2 3.62Å; F85-F170 AromaticContact CE2-CZ 3.9Å; F85-F170 HydrophobicContact CE2-CZ 3.9Å; F85-F170 AromaticContact CG-CE1 3.67Å; F85-F170 HydrophobicContact CG-CE1 3.67Å; F85-F170 AromaticContact CG-CE2 3.87Å; F85-F170 HydrophobicContact CG-CE2 3.87Å; F85-F170 AromaticContact CG-CZ 3.23Å; F85-F170 HydrophobicContact CG-CZ 3.23Å; F85-F170 AromaticContact CZ-CD2 3.8Å; F85-F170 HydrophobicContact CZ-CD2 3.8Å; F85-F170 HydrophobicContact CZ-CE1 4.44Å; F85-F170 AromaticContact CZ-CE2 3.54Å; F85-F170 HydrophobicContact CZ-CE2 3.54Å; F85-F170 HydrophobicContact CZ-CG 4.36Å; F85-F170 AromaticContact CZ-CZ 3.9Å; F85-F170 HydrophobicContact CZ-CZ 3.9Å; F170-I172 PolarHBondContact O-N 3.19Å; F170-L193 HydrophobicContact CB-CD1 3.62Å; F170-L193 HydrophobicContact CB-CG 3.8Å; F170-L193 WeakPolarHBondContact O-CD1 3.41Å; F170-L193 WeakPolarHBondContact O-CD2 3.26Å; F170-L193 WeakPolarHBondContact O-CG 3.26Å
171	T	28.2	Very low	32.5	Very low	43 Å²	43	86.1 Å²	86.1	26%	0.264	47%	0.468	S	S	.	.			trans	-61.3	110.7	150.4	19.3	0	0	0	0	102.4	K169 E173 L193	K169-T171 HydrophobicContact CD-CG2 4.08Å; K169-T171 WeakPolarHBondContact CD-OG1 3Å; K169-T171 WeakPolarHBondContact CE-OG1 3.04Å; K169-T171 HydrophobicContact CG-CG2 4.04Å; K169-T171 WeakPolarHBondContact CG-OG1 3.22Å; K169-T171 VanDerWaalsContact NZ-CG2 3.25Å; K169-T171 PolarHBondContact NZ-OG1 2.98Å; K169-T171 PolarHBondContact O-N 2.81Å; T171-E173 HydrophobicContact CG2-CB 4.48Å; T171-E173 HydrophobicContact CG2-CG 3.77Å; T171-E173 PolarHBondContact O-N 3.41Å; T171-E173 PolarHBondContact OG1-OE2 3.02Å; T171-L193 HydrophobicContact CG2-CD2 4.25Å
172	I	30.5	Very low	32.9	Very low	87 Å²	87	86 Å²	86	45%	0.446	47%	0.47	S	S	.	.			trans	-64.9	68.5	154.9	-42	179.7	0	0	0	105.2	F170 K174 V176	F170-I172 PolarHBondContact O-N 3.19Å; I172-K174 CarbonylContact C-O 2.9Å; I172-V176 HydrophobicContact CB-CG2 4.28Å; I172-V176 HydrophobicContact CG2-CB 3.83Å; I172-V176 HydrophobicContact CG2-CG1 3.89Å; I172-V176 HydrophobicContact CG2-CG2 3.3Å
173	E	26.8	Very low	33.6	Very low	147 Å²	147	79.9 Å²	79.9	69%	0.687	44%	0.436	S	S	*	.			trans	-109.6	7.4	165.9	-82.6	174.1	173.2	0	0	108.7	K169 T171	K169-E173 IonicContact NZ-OE1 2.89Å; K169-E173 IonicContact NZ-OE2 2.71Å; K169-E173 PolarHBondContact NZ-OE2 3.26Å; T171-E173 HydrophobicContact CG2-CB 4.48Å; T171-E173 HydrophobicContact CG2-CG 3.77Å; T171-E173 PolarHBondContact O-N 3.41Å; T171-E173 PolarHBondContact OG1-OE2 3.02Å
174	K	30.7	Very low	34.4	Very low	177 Å²	177	83.5 Å²	83.5	77%	0.77	44%	0.439	S	S	*	.	S	Bend	trans	-71.5	132.6	138.9	-88.1	-176.6	173	179.9	0	105.1	I172 V176	I172-K174 CarbonylContact C-O 2.9Å; K174-V176 PolarHBondContact O-N 3.49Å
175	S	33.5	Very low	35.2	Very low	112 Å²	112	82.9 Å²	82.9	78%	0.783	43%	0.429	S	S	*	.			trans	-41	113.5	162.2	52.5	0	0	0	0	106.3	D177	S175-D177 VanDerWaalsContact C-N 3.28Å; S175-D177 PolarHBondContact O-N 2.97Å
176	V	39.7	Very low	36.2	Very low	90 Å²	90	89.1 Å²	89.1	55%	0.545	46%	0.458	S	S	.	.			trans	-52.5	104.7	-175.6	-166.2	0	0	0	0	104.4	I172 K174 T178 F180	I172-V176 HydrophobicContact CB-CG2 4.28Å; I172-V176 HydrophobicContact CG2-CB 3.83Å; I172-V176 HydrophobicContact CG2-CG1 3.89Å; I172-V176 HydrophobicContact CG2-CG2 3.3Å; K174-V176 PolarHBondContact O-N 3.49Å; V176-T178 PolarHBondContact O-N 3.19Å; V176-F180 HydrophobicContact CG1-CB 4.23Å
177	D	41	Very low	37.3	Very low	92 Å²	92	87.8 Å²	87.8	49%	0.492	45%	0.452	S	S	.	.			trans	-59.3	130.8	178.6	-160	-37	0	0	0	104	S175 T179 F180	S175-D177 VanDerWaalsContact C-N 3.28Å; S175-D177 PolarHBondContact O-N 2.97Å; D177-T179 PolarHBondContact O-N 3.32Å; D177-T179 PolarHBondContact OD1-OG1 2.98Å; D177-F180 HydrophobicContact CB-CD2 4.38Å; D177-F180 PolarHBondContact O-N 3.34Å
178	T	40.5	Very low	38.2	Very low	135 Å²	135	83.9 Å²	83.9	83%	0.828	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-10.7	-174.3	49.9	0	0	0	0	111.9	V176	V176-T178 PolarHBondContact O-N 3.19Å
179	T	39.2	Very low	38.6	Very low	52 Å²	52	81.6 Å²	81.6	32%	0.319	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	2.9	175	58.8	0	0	0	0	114.6	R88 D177	R88-T179 WeakPolarHBondContact CB-O 3.14Å; R88-T179 WeakPolarHBondContact CD-O 3Å; R88-T179 WeakPolarHBondContact CG-O 3.01Å; D177-T179 PolarHBondContact O-N 3.32Å; D177-T179 PolarHBondContact OD1-OG1 2.98Å
180	F	42.9	Very low	39.2	Very low	65 Å²	65	80.3 Å²	80.3	29%	0.285	42%	0.424	S	S	.	.	S	Bend	trans	-77.5	142.6	170.8	-104.3	-97.5	0	0	0	112.1	R88 V176 D177 S182	R88-F180 PolarHBondContact NH1-O 2.88Å; R88-F180 VanDerWaalsContact NH1-O 3.14Å; V176-F180 HydrophobicContact CG1-CB 4.23Å; D177-F180 HydrophobicContact CB-CD2 4.38Å; D177-F180 PolarHBondContact O-N 3.34Å; F180-S182 PolarHBondContact O-N 2.8Å
181	V	45.9	Very low	39.7	Very low	11 Å²	11	77.2 Å²	77.2	7%	0.067	41%	0.41	C	S	.	.			trans	-67.8	115.7	166.1	-175.8	0	0	0	0	108.1	R88 M183	R88-V181 HydrophobicContact CG-CG2 4.29Å; R88-V181 VanDerWaalsContact NH2-CA 3.27Å; V181-M183 PolarHBondContact O-N 2.96Å
182	S	42.8	Very low	40	Very low	60 Å²	60	76.7 Å²	76.7	42%	0.42	40%	0.404	S	S	.	.			trans	-62.9	125.9	172.4	65.6	0	0	0	0	108.2	F180 Y184	F180-S182 PolarHBondContact O-N 2.8Å; S182-Y184 WeakPolarHBondContact O-CD2 3.04Å; S182-Y184 PolarHBondContact O-N 3.29Å; S182-Y184 VanDerWaalsContact OG-CE2 3.26Å; S182-Y184 WeakPolarHBondContact OG-CE2 3.15Å
183	M	46.9	Very low	40.2	Very low	53 Å²	53	73.9 Å²	73.9	26%	0.261	39%	0.39	S	S	.	.			trans	-60.7	102.2	168	-60.3	176.9	-62.7	0	0	108.1	F85 V181 N185 D188 Y191 I203	F85-M183 HydrophobicContact CE1-SD 4.35Å; V181-M183 PolarHBondContact O-N 2.96Å; M183-N185 PolarHBondContact O-N 2.75Å; M183-D188 WeakPolarHBondContact CA-OD2 2.98Å; M183-Y191 HydrophobicContact CG-CD2 4.06Å; M183-Y191 HydrophobicContact SD-CD2 3.51Å; M183-Y191 VanDerWaalsContact SD-CD2 3.51Å; M183-Y191 HydrophobicContact SD-CE2 4.46Å; M183-Y191 HydrophobicContact SD-CG 4.09Å; M183-I203 HydrophobicContact CE-CD1 4.09Å
184	Y	48.4	Very low	40.6	Very low	152 Å²	152	69.8 Å²	69.8	60%	0.596	37%	0.37	S	S	*	.			trans	-80.1	109.9	164.3	-72.4	-78.3	0	0	0	107.2	S182 E186 T187 D188	S182-Y184 WeakPolarHBondContact O-CD2 3.04Å; S182-Y184 PolarHBondContact O-N 3.29Å; S182-Y184 VanDerWaalsContact OG-CE2 3.26Å; S182-Y184 WeakPolarHBondContact OG-CE2 3.15Å; Y184-E186 PolarHBondContact O-N 3.49Å; Y184-T187 VanDerWaalsContact CB-OG1 3.26Å; Y184-T187 WeakPolarHBondContact CB-OG1 2.94Å; Y184-T187 PolarHBondContact O-N 2.79Å; Y184-D188 PolarHBondContact N-OD2 2.97Å; Y184-D188 WeakPolarHBondContact O-CB 3.44Å; Y184-D188 PolarHBondContact O-N 2.86Å
185	N	41.4	Very low	40.6	Very low	70 Å²	70	62.5 Å²	62.5	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-46.4	-34.9	-179.2	-72.8	7.2	0	0	0	113.3	M183	M183-N185 PolarHBondContact O-N 2.75Å
186	E	44.4	Very low	40.6	Very low	174 Å²	174	63.3 Å²	63.3	81%	0.813	33%	0.33	S	S	*	.	H	α-helix	trans	-75.9	-33.8	-177.9	-61.2	-178.6	176.5	0	0	114.3	N140 Y184	N140-E186 PolarHBondContact ND2-O 3.38Å; Y184-E186 PolarHBondContact O-N 3.49Å
187	T	45.7	Very low	40.4	Very low	34 Å²	34	65.6 Å²	65.6	21%	0.209	33%	0.334	C	S	.	.	H	α-helix	trans	-106.5	-30.1	-172.9	58.7	0	0	0	0	113.4	Y184	Y184-T187 VanDerWaalsContact CB-OG1 3.26Å; Y184-T187 WeakPolarHBondContact CB-OG1 2.94Å; Y184-T187 PolarHBondContact O-N 2.79Å
188	D	45	Very low	40.2	Very low	1 Å²	1	67.8 Å²	67.8	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-102.8	-14.6	-164.1	-61.2	-7.6	0	0	0	111.7	L84 Y124 M183 Y184	L84-D188 HydrophobicContact CD1-CB 4.16Å; L84-D188 VanDerWaalsContact CD1-O 3.26Å; L84-D188 WeakPolarHBondContact CD1-O 3.41Å; L84-D188 HydrophobicContact CD2-CB 3.56Å; Y124-D188 WeakPolarHBondContact CE2-OD1 3.26Å; M183-D188 WeakPolarHBondContact CA-OD2 2.98Å; Y184-D188 PolarHBondContact N-OD2 2.97Å; Y184-D188 WeakPolarHBondContact O-CB 3.44Å; Y184-D188 PolarHBondContact O-N 2.86Å
189	G	38.4	Very low	39.7	Very low	15 Å²	15	66.3 Å²	66.3	16%	0.155	33%	0.332	C	S	.	.			trans	76.3	167.7	-175.5	0	0	0	0	0	112.4
190	C	39.7	Very low	39.5	Very low	31 Å²	31	69.8 Å²	69.8	21%	0.209	34%	0.34	C	S	.	.			trans	-75.5	147.6	178.9	-61.9	0	0	0	0	110.6	C40 I203	C40-C190 HydrophobicContact CB-CB 4.39Å; C40-C190 VanDerWaalsContact CB-O 3.25Å; C40-C190 WeakPolarHBondContact CB-O 3.41Å; C40-C190 PolarHBondContact SG-O 2.94Å; C190-I203 PolarHBondContact SG-O 3.14Å
191	Y	42.1	Very low	39	Very low	20 Å²	20	71.6 Å²	71.6	8%	0.078	35%	0.353	C	S	.	.			trans	-122.3	130.7	168.4	-75.7	-74.9	0	0	0	110.1	F39 L84 F85 M183	F39-Y191 HydrophobicContact CE1-CE1 4.41Å; L84-Y191 HydrophobicContact CB-CE2 3.68Å; L84-Y191 VanDerWaalsContact CB-CZ 3.49Å; L84-Y191 WeakPolarHBondContact CB-OH 3.39Å; L84-Y191 HydrophobicContact CD1-CE2 3.68Å; L84-Y191 WeakPolarHBondContact CD1-OH 3.32Å; L84-Y191 HydrophobicContact CD2-CE2 4.3Å; L84-Y191 HydrophobicContact CG-CE2 4.02Å; L84-Y191 WeakPolarHBondContact CG-OH 3.42Å; F85-Y191 HydrophobicContact CD2-CD1 4.46Å; F85-Y191 HydrophobicContact CD2-CE1 4.15Å; F85-Y191 HydrophobicContact CE1-CD1 4.36Å; F85-Y191 HydrophobicContact CE1-CD2 4.39Å; F85-Y191 HydrophobicContact CE1-CG 4.17Å; F85-Y191 AromaticContact CE2-CD1 3.17Å; F85-Y191 HydrophobicContact CE2-CD1 3.17Å; F85-Y191 HydrophobicContact CE2-CD2 4.36Å; F85-Y191 AromaticContact CE2-CE1 3.15Å; F85-Y191 HydrophobicContact CE2-CE1 3.15Å; F85-Y191 HydrophobicContact CE2-CE2 4.36Å; F85-Y191 AromaticContact CE2-CG 3.8Å; F85-Y191 HydrophobicContact CE2-CG 3.8Å; F85-Y191 AromaticContact CE2-CZ 3.8Å; F85-Y191 AromaticContact CZ-CD1 3.12Å; F85-Y191 HydrophobicContact CZ-CD1 3.12Å; F85-Y191 AromaticContact CZ-CD2 3.77Å; F85-Y191 HydrophobicContact CZ-CD2 3.77Å; F85-Y191 AromaticContact CZ-CE1 3.55Å; F85-Y191 HydrophobicContact CZ-CE1 3.55Å; F85-Y191 HydrophobicContact CZ-CE2 4.15Å; F85-Y191 AromaticContact CZ-CG 3.23Å; F85-Y191 HydrophobicContact CZ-CG 3.23Å; M183-Y191 HydrophobicContact CG-CD2 4.06Å; M183-Y191 HydrophobicContact SD-CD2 3.51Å; M183-Y191 VanDerWaalsContact SD-CD2 3.51Å; M183-Y191 HydrophobicContact SD-CE2 4.46Å; M183-Y191 HydrophobicContact SD-CG 4.09Å
192	E	35.2	Very low	38.4	Very low	32 Å²	32	72.4 Å²	72.4	15%	0.15	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	117	172.8	-76.2	-176.1	163.1	0	0	109.5	K44 F194	K44-E192 WeakPolarHBondContact CD-OE1 3.23Å; K44-E192 WeakPolarHBondContact CE-OE1 3.23Å; K44-E192 IonicContact NZ-OE1 3.55Å; K44-E192 PolarHBondContact NZ-OE1 2.69Å; E192-F194 PolarHBondContact O-N 3.2Å
193	L	33.5	Very low	37.9	Very low	29 Å²	29	73.2 Å²	73.2	15%	0.152	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	114.3	167	-113.4	82.9	0	0	0	109	F170 T171 T195 D201	F170-L193 HydrophobicContact CB-CD1 3.62Å; F170-L193 HydrophobicContact CB-CG 3.8Å; F170-L193 WeakPolarHBondContact O-CD1 3.41Å; F170-L193 WeakPolarHBondContact O-CD2 3.26Å; F170-L193 WeakPolarHBondContact O-CG 3.26Å; T171-L193 HydrophobicContact CG2-CD2 4.25Å; L193-T195 PolarHBondContact O-N 2.71Å; L193-D201 PolarHBondContact N-O 2.9Å
194	F	35	Very low	37.2	Very low	61 Å²	61	76.6 Å²	76.6	27%	0.268	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	88.5	172.3	-75.8	-87.1	0	0	0	112.5	Y47 L167 K168 K169 E192	Y47-F194 HydrophobicContact CD1-CE1 4.39Å; Y47-F194 HydrophobicContact CD1-CZ 4.31Å; Y47-F194 HydrophobicContact CD2-CZ 4.31Å; Y47-F194 AromaticContact CE1-CE1 3.77Å; Y47-F194 HydrophobicContact CE1-CE1 3.77Å; Y47-F194 HydrophobicContact CE1-CZ 4.14Å; Y47-F194 HydrophobicContact CE2-CE1 4.03Å; Y47-F194 HydrophobicContact CE2-CZ 4.14Å; Y47-F194 HydrophobicContact CG-CZ 4.39Å; Y47-F194 AromaticContact CZ-CE1 3.57Å; L167-F194 HydrophobicContact CB-CB 4.15Å; L167-F194 HydrophobicContact CB-CD1 3.92Å; L167-F194 HydrophobicContact CB-CD2 4.34Å; L167-F194 HydrophobicContact CB-CE1 4.42Å; L167-F194 HydrophobicContact CB-CG 3.88Å; L167-F194 HydrophobicContact CD2-CE1 4.31Å; L167-F194 HydrophobicContact CD2-CZ 4.26Å; L167-F194 WeakPolarHBondContact O-CB 3.35Å; K168-F194 CarbonylContact C-O 3.45Å; K168-F194 VanDerWaalsContact CA-O 3.23Å; K168-F194 WeakPolarHBondContact CA-O 3.33Å; K169-F194 WeakPolarHBondContact CA-O 3.16Å; K169-F194 VanDerWaalsContact CB-O 3.23Å; K169-F194 WeakPolarHBondContact CB-O 3.46Å; K169-F194 PolarHBondContact N-O 3.06Å; E192-F194 PolarHBondContact O-N 3.2Å
195	T	30.4	Very low	36.2	Very low	23 Å²	23	81 Å²	81	14%	0.141	40%	0.402	C	S	.	.			trans	-67.5	155	-179.7	70.3	0	0	0	0	113.7	K169 L193 H197 N198 I199	K169-T195 HydrophobicContact CD-CG2 4.45Å; K169-T195 HydrophobicContact CG-CG2 4.03Å; L193-T195 PolarHBondContact O-N 2.71Å; T195-H197 PolarHBondContact O-N 2.84Å; T195-N198 PolarHBondContact O-N 2.86Å; T195-I199 PolarHBondContact OG1-O 2.87Å; T195-I199 VanDerWaalsContact OG1-O 3.11Å
196	K	33.8	Very low	36	Very low	130 Å²	130	81.6 Å²	81.6	57%	0.565	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-7.5	177.5	-172.7	173.1	175.9	-173.2	0	114.4	K168	K168-K196 HydrophobicContact CG-CB 4.42Å
197	H	35.6	Very low	35.5	Very low	137 Å²	137	76.7 Å²	76.7	63%	0.634	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	18.8	-168.2	-58.2	106.4	0	0	0	114.3	T195 I199	T195-H197 PolarHBondContact O-N 2.84Å; H197-I199 HydrophobicContact CB-CD1 4.2Å; H197-I199 HydrophobicContact CB-CG1 4.2Å; H197-I199 PolarHBondContact O-N 3.25Å; H197-I199 VanDerWaalsContact O-N 3.11Å
198	N	36.9	Very low	35	Very low	139 Å²	139	79.1 Å²	79.1	74%	0.743	39%	0.392	S	S	*	.	S	Bend	trans	55.1	26.1	-175.9	-66.6	-19.9	0	0	0	113.5	T195	T195-N198 PolarHBondContact O-N 2.86Å
199	I	30.9	Very low	34.4	Very low	104 Å²	104	83.7 Å²	83.7	53%	0.533	42%	0.415	S	S	.	.			trans	-93	118.3	173.2	-58.6	174.2	0	0	0	107	T195 H197	T195-I199 PolarHBondContact OG1-O 2.87Å; T195-I199 VanDerWaalsContact OG1-O 3.11Å; H197-I199 HydrophobicContact CB-CD1 4.2Å; H197-I199 HydrophobicContact CB-CG1 4.2Å; H197-I199 PolarHBondContact O-N 3.25Å; H197-I199 VanDerWaalsContact O-N 3.11Å
200	Y	35	Very low	34.1	Very low	124 Å²	124	88 Å²	88	49%	0.486	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	115.5	170.2	-60.6	-91	0	0	0	107.9	Y47	Y47-Y200 HydrophobicContact CE1-CE1 4.17Å
201	D	32.3	Very low	33.7	Very low	103 Å²	103	91.8 Å²	91.8	55%	0.551	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	108.7	165.1	-127	-12.1	0	0	0	107.9	L193	L193-D201 PolarHBondContact N-O 2.9Å
202	C	32.4	Very low	33.1	Very low	28 Å²	28	96.9 Å²	96.9	19%	0.189	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.6	167	-136	0	0	0	0	104.4	L204	C202-L204 HydrophobicContact CB-CD1 3.77Å; C202-L204 HydrophobicContact CB-CG 3.82Å; C202-L204 PolarHBondContact O-N 3.44Å
203	I	33.9	Very low	33	Very low	78 Å²	78	101.9 Å²	101.9	40%	0.4	50%	0.497	S	S	.	.			trans	-72.1	78.5	165.7	-56.7	179.5	0	0	0	106.5	M183 C190	M183-I203 HydrophobicContact CE-CD1 4.09Å; C190-I203 PolarHBondContact SG-O 3.14Å
204	L	30.8	Very low	32.9	Very low	124 Å²	124	108 Å²	108	65%	0.649	53%	0.525	S	S	*	.			trans	-93.4	119.7	166	-72.6	163.3	0	0	0	106.3	C202	C202-L204 HydrophobicContact CB-CD1 3.77Å; C202-L204 HydrophobicContact CB-CG 3.82Å; C202-L204 PolarHBondContact O-N 3.44Å
205	Q	28.6	Very low	32.8	Very low	245 Å²	245	112.3 Å²	112.3	100%	1.145	55%	0.549	S	S	*	.			trans	-109.9	0	139.6	-83.2	-169.7	-20	0	0	107.2

Retrieved 205 of 205 residues in 42.4 ms (Link to these results)

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