A0A3Q0KEF9_SCHMA Loading...

Multivesicular body subunit 12A

AlphaFold DB , UniProt , Accession A0A3Q0KEF9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 269 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	32.6	Very low	54.1	Low	242 Å²	242	90.5 Å²	90.5	100%	1.192	59%	0.593	S	S	*	*				0	103	0	-69.1	167	118.1	0	0	107
2	S	35.4	Very low	57.6	Low	118 Å²	118	83 Å²	83	83%	0.825	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-64.6	131.9	176.1	-56.7	0	0	0	0	108.6	G4	S2-G4 PolarHBondContact O-N 2.81Å; S2-G4 VanDerWaalsContact O-N 3.16Å
3	P	42.8	Very low	60.6	Low	126 Å²	126	76.6 Å²	76.6	82%	0.818	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-63.4	121.3	175.6	26.6	-30.1	0	0	0	107.4	A5	P3-A5 PolarHBondContact O-N 2.81Å
4	G	34.5	Very low	63.2	Low	75 Å²	75	72.3 Å²	72.3	77%	0.773	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-52.5	123.3	-179.3	0	0	0	0	0	110.1	S2 D6	S2-G4 PolarHBondContact O-N 2.81Å; S2-G4 VanDerWaalsContact O-N 3.16Å; G4-D6 PolarHBondContact O-N 2.88Å; G4-D6 VanDerWaalsContact O-N 3.11Å
5	A	43.3	Very low	65.4	Low	92 Å²	92	68.9 Å²	68.9	76%	0.76	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-58.1	116.5	174.2	0	0	0	0	0	108.2	P3 P7	P3-A5 PolarHBondContact O-N 2.81Å; A5-P7 WeakPolarHBondContact O-CD 3.22Å
6	D	53.8	Low	67.4	Low	63 Å²	63	65.5 Å²	65.5	34%	0.337	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-59.4	117.4	174.3	-170.5	-9.4	0	0	0	107.4	G4 D8 S9 K153	G4-D6 PolarHBondContact O-N 2.88Å; G4-D6 VanDerWaalsContact O-N 3.11Å; D6-D8 PolarHBondContact O-N 2.74Å; D6-S9 VanDerWaalsContact O-CB 3.3Å; D6-S9 WeakPolarHBondContact O-CB 3.45Å; D6-S9 PolarHBondContact O-N 3.35Å; D6-S9 PolarHBondContact O-OG 3.07Å; D6-K153 IonicContact OD2-NZ 2.71Å; D6-K153 PolarHBondContact OD2-NZ 2.86Å
7	P	51.9	Low	69.1	Low	100 Å²	100	61.7 Å²	61.7	65%	0.649	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-54.6	-25.4	-172.1	19.2	-32.5	0	0	0	113.2	A5 S9 S10	A5-P7 WeakPolarHBondContact O-CD 3.22Å; P7-S9 PolarHBondContact O-N 3.01Å; P7-S10 PolarHBondContact O-OG 2.96Å
8	D	59.5	Low	70.7	Confident	51 Å²	51	58.3 Å²	58.3	27%	0.273	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-73.6	-7.2	178.7	-64.2	-13.8	0	0	0	114.2	D6 S10 C11 R125	D6-D8 PolarHBondContact O-N 2.74Å; D8-S10 PolarHBondContact O-N 3.13Å; D8-S10 VanDerWaalsContact O-N 3.14Å; D8-C11 PolarHBondContact O-N 2.64Å; D8-R125 VanDerWaalsContact OD2-CD 3.29Å; D8-R125 WeakPolarHBondContact OD2-CD 3.41Å; D8-R125 IonicContact OD2-CZ 2.6Å; D8-R125 IonicContact OD2-NE 2.6Å; D8-R125 IonicContact OD2-NH1 3.6Å; D8-R125 PolarHBondContact OD2-NH1 3.06Å
9	S	65.6	Low	72	Confident	47 Å²	47	55.6 Å²	55.6	33%	0.329	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-70.4	-5.4	177	-48.1	0	0	0	0	112.8	D6 P7	D6-S9 VanDerWaalsContact O-CB 3.3Å; D6-S9 WeakPolarHBondContact O-CB 3.45Å; D6-S9 PolarHBondContact O-N 3.35Å; D6-S9 PolarHBondContact O-OG 3.07Å; P7-S9 PolarHBondContact O-N 3.01Å
10	S	83.5	Confident	73.1	Confident	47 Å²	47	53.3 Å²	53.3	33%	0.329	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-93.3	-2.7	-178.3	63.2	0	0	0	0	114.4	P7 D8 I64	P7-S10 PolarHBondContact O-OG 2.96Å; D8-S10 PolarHBondContact O-N 3.13Å; D8-S10 VanDerWaalsContact O-N 3.14Å; S10-I64 WeakPolarHBondContact O-CB 3.34Å; S10-I64 VanDerWaalsContact O-CG2 3.29Å; S10-I64 WeakPolarHBondContact O-CG2 3.47Å; S10-I64 PolarHBondContact O-N 3.24Å
11	C	92.3	Very high	73.7	Confident	35 Å²	35	56.4 Å²	56.4	24%	0.236	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	148.7	-177.4	-67.7	0	0	0	0	112.5	D8 E62 T124	D8-C11 PolarHBondContact O-N 2.64Å; C11-E62 CarbonylContact C-O 3.59Å; C11-E62 VanDerWaalsContact CA-O 3.28Å; C11-E62 WeakPolarHBondContact CA-O 3.17Å; C11-T124 WeakPolarHBondContact O-CB 3.48Å; C11-T124 WeakPolarHBondContact O-CG2 3.43Å
12	V	95.6	Very high	75.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.6	171.4	-71	0	0	0	0	109.9	T14 S61 E62 I64 C67 I73 A122 I157	V12-T14 HydrophobicContact CG2-CG2 4.42Å; V12-S61 CarbonylContact O-C 3.56Å; V12-S61 VanDerWaalsContact O-CA 3.31Å; V12-S61 WeakPolarHBondContact O-CA 3.24Å; V12-E62 PolarHBondContact N-O 2.67Å; V12-E62 PolarHBondContact O-N 3.22Å; V12-I64 HydrophobicContact CG1-CB 4.27Å; V12-I64 HydrophobicContact CG1-CD1 3.56Å; V12-I64 HydrophobicContact CG1-CG1 3.86Å; V12-C67 HydrophobicContact CG2-CB 4.14Å; V12-I73 HydrophobicContact CB-CB 4.45Å; V12-I73 HydrophobicContact CB-CG2 4.16Å; V12-I73 HydrophobicContact CG1-CD1 4.43Å; V12-I73 HydrophobicContact CG2-CG2 3.86Å; V12-A122 HydrophobicContact CG1-CB 4.42Å; V12-I157 HydrophobicContact CG1-CD1 4.39Å; V12-I157 HydrophobicContact CG1-CG2 4.07Å
13	I	96.9	Very high	77.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.2	177.1	-63.7	-178	0	0	0	109.4	A15 Y59 V60 I73 L74 I123 I126	I13-A15 VanDerWaalsContact CG2-O 3.31Å; I13-A15 WeakPolarHBondContact CG2-O 3.22Å; I13-Y59 HydrophobicContact CD1-CD1 4.31Å; I13-Y59 HydrophobicContact CD1-CD2 3.94Å; I13-Y59 HydrophobicContact CD1-CE2 4.28Å; I13-Y59 HydrophobicContact CD1-CG 3.99Å; I13-Y59 HydrophobicContact CG1-CD2 3.99Å; I13-Y59 HydrophobicContact CG1-CE2 4.4Å; I13-Y59 HydrophobicContact CG1-CG 4.44Å; I13-Y59 HydrophobicContact CG2-CD2 4.47Å; I13-Y59 HydrophobicContact CG2-CG 4.42Å; I13-V60 CarbonylContact C-O 3.59Å; I13-V60 WeakPolarHBondContact CA-O 3.29Å; I13-I73 CarbonylContact O-C 3.54Å; I13-I73 WeakPolarHBondContact O-CA 3.34Å; I13-L74 HydrophobicContact CB-CB 4.02Å; I13-L74 HydrophobicContact CB-CD2 4.15Å; I13-L74 HydrophobicContact CD1-CD2 4.45Å; I13-L74 HydrophobicContact CG2-CB 3.96Å; I13-L74 HydrophobicContact CG2-CD2 3.71Å; I13-L74 WeakPolarHBondContact O-CB 3.47Å; I13-L74 PolarHBondContact O-N 2.78Å; I13-I123 HydrophobicContact CD1-CG2 4.01Å; I13-I123 PolarHBondContact N-O 2.93Å; I13-I126 HydrophobicContact CD1-CB 4.47Å; I13-I126 HydrophobicContact CD1-CD1 3.55Å; I13-I126 HydrophobicContact CD1-CG1 3.58Å
14	T	96.9	Very high	78.2	Confident	16 Å²	16	41.4 Å²	41.4	10%	0.098	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-14.2	-176.7	59.5	0	0	0	0	113.5	V12 V60 E62 K71 I73	V12-T14 HydrophobicContact CG2-CG2 4.42Å; T14-V60 PolarHBondContact N-O 2.86Å; T14-E62 HydrophobicContact CG2-CB 4Å; T14-E62 HydrophobicContact CG2-CG 3.95Å; T14-E62 PolarHBondContact OG1-OE1 3.25Å; T14-K71 HydrophobicContact CG2-CG 4.05Å; T14-I73 HydrophobicContact CG2-CG2 4.31Å
15	A	96.5	Very high	79.3	Confident	21 Å²	21	48.5 Å²	48.5	17%	0.174	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	152.4	171.6	0	0	0	0	0	110.5	I13 Y29 Y59 V60	I13-A15 VanDerWaalsContact CG2-O 3.31Å; I13-A15 WeakPolarHBondContact CG2-O 3.22Å; A15-Y29 HydrophobicContact CB-CE1 4.12Å; A15-Y59 CarbonylContact O-C 3.56Å; A15-Y59 WeakPolarHBondContact O-CA 3.33Å; A15-Y59 WeakPolarHBondContact O-CB 3.44Å; A15-V60 HydrophobicContact CB-CB 4.07Å; A15-V60 HydrophobicContact CB-CG2 3.94Å; A15-V60 PolarHBondContact O-N 2.82Å
16	V	97.6	Very high	80	Confident	15 Å²	15	48.9 Å²	48.9	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144.5	175.6	65.6	0	0	0	0	108.7	L57 C58 L74 L77 I93 L109 A111 F113 I126	V16-L57 HydrophobicContact CG2-CD1 3.87Å; V16-C58 CarbonylContact C-O 3.58Å; V16-C58 WeakPolarHBondContact CA-O 3.47Å; V16-L74 HydrophobicContact CB-CD2 4.47Å; V16-L74 HydrophobicContact CG1-CD1 4.19Å; V16-L74 HydrophobicContact CG1-CD2 4.4Å; V16-L77 HydrophobicContact CG1-CD2 4.12Å; V16-I93 HydrophobicContact CG1-CD1 3.69Å; V16-L109 HydrophobicContact CG2-CD2 4.46Å; V16-A111 HydrophobicContact CG1-CB 3.8Å; V16-F113 HydrophobicContact CG1-CZ 4.01Å; V16-I126 HydrophobicContact CG2-CD1 3.91Å
17	G	96.8	Very high	80.2	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	-160.5	176.7	0	0	0	0	0	112.8	L57 C58	G17-L57 WeakPolarHBondContact O-CD1 3.38Å; G17-C58 PolarHBondContact N-O 3.17Å; G17-C58 PolarHBondContact O-N 2.65Å; G17-C58 PolarHBondContact O-SG 3.04Å
18	F	96.8	Very high	81.8	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.1	-179.5	-59.6	-85	0	0	0	111.3	L44 Y56 L57 I93 T96 I97 A103 L104 L109	F18-L44 HydrophobicContact CD1-CD1 3.9Å; F18-L44 HydrophobicContact CE1-CD1 3.49Å; F18-L44 VanDerWaalsContact CE1-CD1 3.49Å; F18-Y56 CarbonylContact C-O 3.44Å; F18-Y56 VanDerWaalsContact CA-O 3.24Å; F18-Y56 WeakPolarHBondContact CA-O 3.37Å; F18-L57 HydrophobicContact CD1-CB 4.47Å; F18-L57 HydrophobicContact CD1-CD1 4.21Å; F18-L57 HydrophobicContact CE1-CB 4.34Å; F18-L57 HydrophobicContact CE1-CD1 3.73Å; F18-L57 HydrophobicContact CZ-CD1 4.04Å; F18-I93 HydrophobicContact CD2-CB 4.46Å; F18-I93 HydrophobicContact CD2-CG2 3.66Å; F18-I93 HydrophobicContact CE2-CB 4.15Å; F18-I93 HydrophobicContact CE2-CG2 3.85Å; F18-T96 HydrophobicContact CB-CG2 4.16Å; F18-T96 CarbonylContact O-C 3.55Å; F18-T96 VanDerWaalsContact O-CA 3.24Å; F18-T96 WeakPolarHBondContact O-CA 3.16Å; F18-I97 PolarHBondContact O-N 2.89Å; F18-A103 HydrophobicContact CB-CB 3.94Å; F18-A103 HydrophobicContact CD2-CB 3.38Å; F18-A103 HydrophobicContact CE2-CB 4.01Å; F18-A103 HydrophobicContact CG-CB 3.75Å; F18-L104 HydrophobicContact CD1-CD2 4.41Å; F18-L104 HydrophobicContact CE1-CD1 4.21Å; F18-L104 HydrophobicContact CE1-CD2 3.95Å; F18-L104 HydrophobicContact CE1-CG 4.19Å; F18-L104 HydrophobicContact CE2-CD1 4.25Å; F18-L104 HydrophobicContact CE2-CG 4.33Å; F18-L104 HydrophobicContact CZ-CD1 3.66Å; F18-L104 HydrophobicContact CZ-CD2 4.21Å; F18-L104 HydrophobicContact CZ-CG 3.94Å; F18-L109 HydrophobicContact CE2-CB 3.88Å; F18-L109 HydrophobicContact CE2-CD2 4.09Å; F18-L109 HydrophobicContact CZ-CB 3.69Å; F18-L109 HydrophobicContact CZ-CD2 3.67Å; F18-L109 HydrophobicContact CZ-CG 4.32Å
19	V	95.3	Very high	83.4	Confident	8 Å²	8	59.2 Å²	59.2	5%	0.048	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.5	168.6	-67.5	0	0	0	0	110.2	V31 R55 Y56 D98	V19-V31 HydrophobicContact CG2-CG1 3.68Å; V19-V31 HydrophobicContact CG2-CG2 3.96Å; V19-R55 WeakPolarHBondContact O-CA 3.45Å; V19-Y56 PolarHBondContact N-O 3.11Å; V19-Y56 PolarHBondContact O-N 3.44Å; V19-D98 WeakPolarHBondContact CA-OD1 3.39Å; V19-D98 HydrophobicContact CG1-CB 4.37Å
20	A	93.9	Very high	84.7	Confident	8 Å²	8	61.3 Å²	61.3	7%	0.066	32%	0.316	C	S	.	.	S	Bend	trans	-74.1	-33.6	172.8	0	0	0	0	0	111.4	T54 T96 D98 T99	A20-T54 VanDerWaalsContact CA-O 3.32Å; A20-T54 WeakPolarHBondContact CA-O 3.39Å; A20-T54 CarbonylContact O-C 3.58Å; A20-T54 WeakPolarHBondContact O-CB 3.36Å; A20-T54 VanDerWaalsContact O-O 3.13Å; A20-T54 PolarHBondContact O-OG1 3.4Å; A20-T96 HydrophobicContact CB-CG2 4.49Å; A20-D98 VanDerWaalsContact N-CG 3.29Å; A20-D98 PolarHBondContact N-OD1 2.63Å; A20-D98 PolarHBondContact N-OD2 3.34Å; A20-T99 HydrophobicContact CB-CG2 3.76Å
21	Q	86.3	Confident	85.2	Confident	119 Å²	119	60.6 Å²	60.6	56%	0.556	31%	0.309	S	S	*	.			trans	-118.9	125.8	-176.5	-63.6	-179.5	-14	0	0	111.9	G23 N24 D98	Q21-G23 PolarHBondContact O-N 2.85Å; Q21-N24 PolarHBondContact O-N 3.41Å; Q21-D98 PolarHBondContact N-OD2 2.88Å
22	A	79	Confident	85.4	Confident	41 Å²	41	59.6 Å²	59.6	34%	0.339	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.5	175.4	0	0	0	0	0	113.6	V31 Y56	A22-V31 HydrophobicContact CB-CG1 4.5Å; A22-Y56 HydrophobicContact CB-CD2 3.89Å; A22-Y56 HydrophobicContact CB-CE2 3.83Å
23	G	69.2	Low	85.4	Confident	68 Å²	68	61.5 Å²	61.5	70%	0.701	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.9	-176.4	0	0	0	0	0	115.3	Q21 R25	Q21-G23 PolarHBondContact O-N 2.85Å; G23-R25 PolarHBondContact O-N 2.8Å
24	N	57.7	Low	85.3	Confident	63 Å²	63	69.2 Å²	69.2	34%	0.337	34%	0.344	S	S	.	.			trans	-81.5	86.4	-178.7	-158.6	-12.2	0	0	0	109.6	Q21 Q26	Q21-N24 PolarHBondContact O-N 3.41Å; N24-Q26 PolarHBondContact O-N 2.98Å
25	R	56.1	Low	85.3	Confident	224 Å²	224	68.7 Å²	68.7	85%	0.845	34%	0.34	S	S	*	.			trans	-70.6	65.4	173.2	-65.8	-175.4	178.2	-179.7	-0.3	110.1	G23 Q27	G23-R25 PolarHBondContact O-N 2.8Å; R25-Q27 VanDerWaalsContact C-N 3.33Å; R25-Q27 PolarHBondContact O-N 3.47Å
26	Q	58.6	Low	85.1	Confident	100 Å²	100	70.7 Å²	70.7	47%	0.467	35%	0.353	S	S	.	.			trans	-58.8	109.1	153.6	-69.5	-144	-6	0	0	105.6	N24 K28 Y29	N24-Q26 PolarHBondContact O-N 2.98Å; Q26-K28 PolarHBondContact O-N 2.96Å; Q26-Y29 HydrophobicContact CB-CD2 4.43Å; Q26-Y29 PolarHBondContact O-N 3.22Å
27	Q	58	Low	84.9	Confident	198 Å²	198	72.6 Å²	72.6	93%	0.925	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-5.7	-158	-87.6	174.6	-10.3	0	0	117.1	R25	R25-Q27 VanDerWaalsContact C-N 3.33Å; R25-Q27 PolarHBondContact O-N 3.47Å
28	K	86.6	Confident	84.8	Confident	166 Å²	166	74.6 Å²	74.6	72%	0.722	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-21.1	-175.8	-60.1	-173.4	178.8	-177	0	114.3	Q26 V60	Q26-K28 PolarHBondContact O-N 2.96Å; K28-V60 HydrophobicContact CB-CG1 4.29Å; K28-V60 HydrophobicContact CB-CG2 4.1Å; K28-V60 WeakPolarHBondContact O-CG2 3.28Å
29	Y	91.3	Very high	84.6	Confident	66 Å²	66	76.5 Å²	76.5	26%	0.259	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-92.9	124.3	-174.7	-74.5	-89.1	0	0	0	111.8	A15 Q26 C58 Y59 V60 I97	A15-Y29 HydrophobicContact CB-CE1 4.12Å; Q26-Y29 HydrophobicContact CB-CD2 4.43Å; Q26-Y29 PolarHBondContact O-N 3.22Å; Y29-C58 HydrophobicContact CD1-CB 4.16Å; Y29-C58 VanDerWaalsContact CD1-SG 3.55Å; Y29-Y59 CarbonylContact C-O 3.48Å; Y29-Y59 WeakPolarHBondContact CA-O 3.29Å; Y29-V60 HydrophobicContact CD1-CG2 3.59Å; Y29-V60 HydrophobicContact CD2-CG2 4.01Å; Y29-V60 HydrophobicContact CE1-CG2 3.54Å; Y29-V60 HydrophobicContact CE2-CG2 3.95Å; Y29-V60 HydrophobicContact CG-CG2 3.83Å; Y29-I97 HydrophobicContact CD1-CD1 4.29Å; Y29-I97 HydrophobicContact CE1-CD1 3.64Å; Y29-I97 HydrophobicContact CE2-CD1 4.41Å
30	E	93.1	Very high	84.6	Confident	92 Å²	92	80.3 Å²	80.3	43%	0.43	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	118.8	162.3	-173.7	-177	164.6	0	0	108.5	C58 Y59	E30-C58 CarbonylContact O-C 3.58Å; E30-C58 WeakPolarHBondContact O-CA 3.31Å; E30-C58 VanDerWaalsContact O-CB 3.25Å; E30-C58 WeakPolarHBondContact O-CB 3.4Å; E30-Y59 HydrophobicContact CB-CE2 4.18Å; E30-Y59 PolarHBondContact N-O 3.04Å; E30-Y59 PolarHBondContact O-N 2.92Å; E30-Y59 PolarHBondContact OE1-OH 2.96Å; E30-Y59 WeakPolarHBondContact OE2-CE2 3.49Å; E30-Y59 PolarHBondContact OE2-OH 3.26Å
31	V	95.4	Very high	84.6	Confident	31 Å²	31	83.7 Å²	83.7	19%	0.188	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.9	-180	-175.3	0	0	0	0	110.1	V19 A22 S33 Y56 C58	V19-V31 HydrophobicContact CG2-CG1 3.68Å; V19-V31 HydrophobicContact CG2-CG2 3.96Å; A22-V31 HydrophobicContact CB-CG1 4.5Å; V31-S33 VanDerWaalsContact C-N 3.26Å; V31-S33 PolarHBondContact O-N 3.39Å; V31-Y56 HydrophobicContact CG1-CG 4.34Å; V31-C58 HydrophobicContact CB-CB 4.4Å; V31-C58 HydrophobicContact CG2-CB 4.02Å
32	L	95.7	Very high	85.1	Confident	15 Å²	15	78 Å²	78	8%	0.079	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	71.7	176	-55	-178.2	0	0	0	109.9	L57 Y59 I126 V128	L32-L57 WeakPolarHBondContact CB-O 3.17Å; L32-L57 HydrophobicContact CD1-CB 4.42Å; L32-L57 HydrophobicContact CD1-CD2 4.12Å; L32-L57 HydrophobicContact CD1-CG 4.31Å; L32-L57 PolarHBondContact N-O 2.87Å; L32-Y59 HydrophobicContact CD1-CD1 4.21Å; L32-Y59 HydrophobicContact CD1-CE1 3.97Å; L32-Y59 HydrophobicContact CD2-CE1 3.9Å; L32-Y59 HydrophobicContact CG-CD1 4.42Å; L32-Y59 HydrophobicContact CG-CE1 4.12Å; L32-I126 HydrophobicContact CD1-CB 4.3Å; L32-I126 HydrophobicContact CD1-CG2 4.06Å; L32-V128 HydrophobicContact CB-CG2 4.22Å; L32-V128 HydrophobicContact CD1-CG2 4.11Å
33	S	95.3	Very high	85.8	Confident	39 Å²	39	76.7 Å²	76.7	27%	0.273	39%	0.391	S	S	.	.			trans	-83	-14.3	-178.8	61	0	0	0	0	114.3	V31 A42	V31-S33 VanDerWaalsContact C-N 3.26Å; V31-S33 PolarHBondContact O-N 3.39Å; S33-A42 PolarHBondContact O-N 2.8Å
34	R	95.6	Very high	87.1	Confident	163 Å²	163	73.5 Å²	73.5	62%	0.615	36%	0.358	S	S	*	.	B	Isolated β-bridge	trans	-129.9	146.4	180	-57.4	-172.8	77.1	148.8	0.5	111.4	A39 D40	R34-A39 PolarHBondContact NE-O 3.1Å; R34-A39 PolarHBondContact NH2-O 2.65Å; R34-D40 CarbonylContact C-O 3.58Å; R34-D40 WeakPolarHBondContact CA-O 3.23Å
35	T	96	Very high	88.8	Confident	4 Å²	4	71.7 Å²	71.7	3%	0.025	35%	0.346	C	S	.	.			trans	-68.7	142	176.1	63.8	0	0	0	0	110.3	D37 S38 A39 D40 A42 V128 S130 V148	T35-D37 VanDerWaalsContact C-N 3.3Å; T35-D37 PolarHBondContact O-N 3.09Å; T35-S38 PolarHBondContact OG1-OG 2.64Å; T35-A39 WeakPolarHBondContact O-CA 3.32Å; T35-A39 PolarHBondContact O-N 3.24Å; T35-A39 PolarHBondContact OG1-N 3.07Å; T35-D40 PolarHBondContact N-O 2.67Å; T35-D40 PolarHBondContact OG1-N 3.3Å; T35-A42 HydrophobicContact CG2-CB 4.01Å; T35-V128 CarbonylContact C-O 3.54Å; T35-V128 WeakPolarHBondContact CA-O 3.37Å; T35-V128 HydrophobicContact CG2-CG1 4.38Å; T35-S130 WeakPolarHBondContact CB-OG 3.15Å; T35-S130 VanDerWaalsContact CG2-OG 3.31Å; T35-S130 WeakPolarHBondContact CG2-OG 3.36Å; T35-S130 PolarHBondContact OG1-OG 3.17Å; T35-V148 HydrophobicContact CG2-CG1 3.98Å
36	S	93.6	Very high	90.3	Very high	64 Å²	64	63.5 Å²	63.5	45%	0.448	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-21.5	-173.5	-58.5	0	0	0	0	113.2	V128	S36-V128 PolarHBondContact N-O 3.21Å
37	D	93	Very high	91.4	Very high	55 Å²	55	64.3 Å²	64.3	29%	0.294	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-28.2	-176.3	65.9	-52.5	0	0	0	115.2	T35 Y129 S130 R131	T35-D37 VanDerWaalsContact C-N 3.3Å; T35-D37 PolarHBondContact O-N 3.09Å; D37-Y129 HydrophobicContact CB-CD1 3.89Å; D37-Y129 HydrophobicContact CB-CE1 4.44Å; D37-Y129 WeakPolarHBondContact OD1-CA 3.26Å; D37-S130 PolarHBondContact OD1-N 3.33Å; D37-R131 IonicContact OD2-CZ 3.32Å; D37-R131 IonicContact OD2-NE 3.55Å; D37-R131 PolarHBondContact OD2-NE 3.31Å; D37-R131 VanDerWaalsContact OD2-NE 3.08Å; D37-R131 IonicContact OD2-NH2 3.08Å; D37-R131 PolarHBondContact OD2-NH2 2.81Å; D37-R131 VanDerWaalsContact OD2-NH2 3.1Å
38	S	93.7	Very high	92.3	Very high	42 Å²	42	58 Å²	58	29%	0.294	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-4.7	-178.6	61.6	0	0	0	0	113.9	T35 D40 S130	T35-S38 PolarHBondContact OG1-OG 2.64Å; S38-D40 WeakPolarHBondContact CB-OD2 3.28Å; S38-D40 PolarHBondContact O-N 3.16Å; S38-D40 VanDerWaalsContact OG-CG 3.23Å; S38-D40 PolarHBondContact OG-OD2 3.02Å; S38-S130 PolarHBondContact OG-OG 2.89Å
39	A	94.2	Very high	91.8	Very high	40 Å²	40	59 Å²	59	33%	0.331	33%	0.329	S	S	.	.			trans	56.5	26.4	-172.9	0	0	0	0	0	112.9	R34 T35	R34-A39 PolarHBondContact NE-O 3.1Å; R34-A39 PolarHBondContact NH2-O 2.65Å; T35-A39 WeakPolarHBondContact O-CA 3.32Å; T35-A39 PolarHBondContact O-N 3.24Å; T35-A39 PolarHBondContact OG1-N 3.07Å
40	D	94.8	Very high	91	Very high	89 Å²	89	63.9 Å²	63.9	48%	0.476	36%	0.359	S	S	.	.			trans	-76.6	166.8	174	-66.2	-44.5	0	0	0	111	R34 T35 S38 A42	R34-D40 CarbonylContact C-O 3.58Å; R34-D40 WeakPolarHBondContact CA-O 3.23Å; T35-D40 PolarHBondContact N-O 2.67Å; T35-D40 PolarHBondContact OG1-N 3.3Å; S38-D40 WeakPolarHBondContact CB-OD2 3.28Å; S38-D40 PolarHBondContact O-N 3.16Å; S38-D40 VanDerWaalsContact OG-CG 3.23Å; S38-D40 PolarHBondContact OG-OD2 3.02Å; D40-A42 PolarHBondContact O-N 3.36Å
41	D	94.3	Very high	90	Very high	78 Å²	78	62.2 Å²	62.2	42%	0.417	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-60.1	118.2	176.2	-174.1	18.1	0	0	0	110.5	C43 Y56	D41-C43 PolarHBondContact O-N 3.4Å; D41-Y56 WeakPolarHBondContact OD1-CE1 3.19Å; D41-Y56 PolarHBondContact OD1-OH 2.92Å
42	A	95.5	Very high	89.4	Confident	0 Å²	0	71 Å²	71	0%	0	39%	0.387	C	S	.	.			trans	-88.6	30.8	-178.5	0	0	0	0	0	112.8	S33 T35 D40 L44 V128	S33-A42 PolarHBondContact O-N 2.8Å; T35-A42 HydrophobicContact CG2-CB 4.01Å; D40-A42 PolarHBondContact O-N 3.36Å; A42-L44 WeakPolarHBondContact O-CD2 3.44Å; A42-L44 PolarHBondContact O-N 3.28Å; A42-V128 HydrophobicContact CB-CB 4.15Å; A42-V128 HydrophobicContact CB-CG1 3.89Å
43	C	94.7	Very high	89.1	Confident	13 Å²	13	76.2 Å²	76.2	9%	0.088	41%	0.406	C	S	.	.			trans	-63	126.1	-179.1	-176.4	0	0	0	0	110.6	D41 Y56 N146	D41-C43 PolarHBondContact O-N 3.4Å; C43-Y56 HydrophobicContact CB-CE1 4.09Å; C43-N146 PolarHBondContact O-ND2 2.93Å
44	L	96	Very high	89	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.005	40%	0.402	C	S	.	.			trans	-93.3	-4.4	-178.3	-50.3	178.2	0	0	0	112.6	F18 A42 R55 L57 L104 V128 I145 V148	F18-L44 HydrophobicContact CD1-CD1 3.9Å; F18-L44 HydrophobicContact CE1-CD1 3.49Å; F18-L44 VanDerWaalsContact CE1-CD1 3.49Å; A42-L44 WeakPolarHBondContact O-CD2 3.44Å; A42-L44 PolarHBondContact O-N 3.28Å; L44-R55 HydrophobicContact CB-CB 4.48Å; L44-R55 PolarHBondContact N-O 3.49Å; L44-L57 HydrophobicContact CD1-CB 3.92Å; L44-L104 HydrophobicContact CB-CD2 3.78Å; L44-L104 HydrophobicContact CD1-CD2 4.39Å; L44-V128 HydrophobicContact CD2-CG1 4.36Å; L44-I145 HydrophobicContact CB-CG2 4.36Å; L44-I145 HydrophobicContact CD2-CG2 3.71Å; L44-I145 HydrophobicContact CG-CG2 4.48Å; L44-V148 HydrophobicContact CD2-CG2 3.48Å; L44-V148 VanDerWaalsContact CD2-CG2 3.48Å
45	W	93.8	Very high	89	Confident	25 Å²	25	68.3 Å²	68.3	10%	0.095	37%	0.374	C	S	.	.	S	Bend	trans	-94.5	128.1	178.8	-164.8	-91.3	0	0	0	110.9	S47 R53 R55 R102 K105 N146	W45-S47 PolarHBondContact O-N 2.94Å; W45-R53 HydrophobicContact CG-CB 4.15Å; W45-R55 HydrophobicContact CB-CB 4.06Å; W45-R55 HydrophobicContact CB-CG 3.79Å; W45-R55 HydrophobicContact CD2-CG 4.13Å; W45-R55 HydrophobicContact CE3-CG 3.65Å; W45-R55 HydrophobicContact CG-CG 4.25Å; W45-R55 HydrophobicContact CZ3-CG 4.49Å; W45-R102 WeakPolarHBondContact CZ3-O 3.21Å; W45-K105 HydrophobicContact CH2-CB 4.36Å; W45-K105 HydrophobicContact CZ3-CB 4.44Å; W45-N146 PolarHBondContact O-ND2 3.33Å; W45-N146 VanDerWaalsContact O-ND2 3.07Å
46	P	88.1	Confident	89.1	Confident	52 Å²	52	69.1 Å²	69.1	34%	0.338	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-56.2	128.4	176.3	-24.5	33.7	0	0	0	112.1	S48 N146	P46-S48 PolarHBondContact O-N 2.91Å; P46-N146 WeakPolarHBondContact CA-OD1 3.2Å
47	S	81.4	Confident	89.2	Confident	118 Å²	118	66.1 Å²	66.1	83%	0.825	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-55.8	131.9	172.4	-63	0	0	0	0	110.2	W45	W45-S47 PolarHBondContact O-N 2.94Å
48	S	76.9	Confident	89.4	Confident	66 Å²	66	63.5 Å²	63.5	46%	0.462	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-114.2	139.2	169.6	179	0	0	0	0	108.8	P46 L50 S51	P46-S48 PolarHBondContact O-N 2.91Å; S48-L50 PolarHBondContact O-N 2.79Å; S48-L50 VanDerWaalsContact O-N 3.11Å; S48-L50 PolarHBondContact OG-N 2.78Å; S48-S51 PolarHBondContact O-N 3.48Å
49	L	75.9	Confident	89.5	Confident	186 Å²	186	61.9 Å²	61.9	97%	0.974	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.8	175.9	-64.7	172.4	0	0	0	113
50	L	75.1	Confident	89.6	Confident	168 Å²	168	60.7 Å²	60.7	88%	0.88	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-12.2	-171.7	-62.1	172.1	0	0	0	114.1	S48	S48-L50 PolarHBondContact O-N 2.79Å; S48-L50 VanDerWaalsContact O-N 3.11Å; S48-L50 PolarHBondContact OG-N 2.78Å
51	S	71.4	Confident	89.5	Confident	57 Å²	57	58.8 Å²	58.8	40%	0.399	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-159.1	123.7	-178.4	-173.5	0	0	0	0	111.4	S48 R53	S48-S51 PolarHBondContact O-N 3.48Å; S51-R53 PolarHBondContact O-N 2.8Å
52	R	82.2	Confident	89.5	Confident	216 Å²	216	57.7 Å²	57.7	82%	0.815	30%	0.303	S	S	*	.			trans	-88.2	83.7	174.9	-165.9	176.6	-174.4	-177.6	1.2	109.7
53	R	90.1	Very high	89.4	Confident	125 Å²	125	60.6 Å²	60.6	47%	0.472	32%	0.319	S	S	.	.			trans	-87	135.9	165.9	-64.6	-175.8	-172.6	177.5	-0.4	109.1	W45 S51	W45-R53 HydrophobicContact CG-CB 4.15Å; S51-R53 PolarHBondContact O-N 2.8Å
54	T	93.5	Very high	89.1	Confident	32 Å²	32	60.9 Å²	60.9	20%	0.196	32%	0.319	C	S	.	.			trans	-116.7	147.1	176.8	46.4	0	0	0	0	110.6	A20 Y56	A20-T54 VanDerWaalsContact CA-O 3.32Å; A20-T54 WeakPolarHBondContact CA-O 3.39Å; A20-T54 CarbonylContact O-C 3.58Å; A20-T54 WeakPolarHBondContact O-CB 3.36Å; A20-T54 VanDerWaalsContact O-O 3.13Å; A20-T54 PolarHBondContact O-OG1 3.4Å; T54-Y56 HydrophobicContact CG2-CE2 4.31Å
55	R	95.5	Very high	88.8	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.015	35%	0.354	C	S	.	.			trans	-144.5	126.4	175.6	-63.3	-70.8	-173.9	-94.1	5.4	108.6	V19 L44 W45 E101 R102 A103	V19-R55 WeakPolarHBondContact O-CA 3.45Å; L44-R55 HydrophobicContact CB-CB 4.48Å; L44-R55 PolarHBondContact N-O 3.49Å; W45-R55 HydrophobicContact CB-CB 4.06Å; W45-R55 HydrophobicContact CB-CG 3.79Å; W45-R55 HydrophobicContact CD2-CG 4.13Å; W45-R55 HydrophobicContact CE3-CG 3.65Å; W45-R55 HydrophobicContact CG-CG 4.25Å; W45-R55 HydrophobicContact CZ3-CG 4.49Å; R55-E101 IonicContact CZ-OE2 2.53Å; R55-E101 IonicContact NH1-OE2 3.51Å; R55-E101 PolarHBondContact NH1-OE2 2.98Å; R55-E101 VanDerWaalsContact NH2-CB 3.25Å; R55-E101 IonicContact NH2-OE2 2.67Å; R55-E101 PolarHBondContact NH2-OE2 3.19Å; R55-R102 PolarHBondContact NE-O 2.78Å; R55-R102 PolarHBondContact NH2-O 2.86Å; R55-R102 VanDerWaalsContact NH2-O 3.14Å; R55-A103 WeakPolarHBondContact CD-O 3.4Å; R55-A103 WeakPolarHBondContact CG-O 3.16Å
56	Y	96.6	Very high	88.6	Confident	20 Å²	20	71.2 Å²	71.2	8%	0.078	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.1	-179.8	-60.4	-72.2	0	0	0	109.6	F18 V19 A22 V31 D41 C43 T54	F18-Y56 CarbonylContact C-O 3.44Å; F18-Y56 VanDerWaalsContact CA-O 3.24Å; F18-Y56 WeakPolarHBondContact CA-O 3.37Å; V19-Y56 PolarHBondContact N-O 3.11Å; V19-Y56 PolarHBondContact O-N 3.44Å; A22-Y56 HydrophobicContact CB-CD2 3.89Å; A22-Y56 HydrophobicContact CB-CE2 3.83Å; V31-Y56 HydrophobicContact CG1-CG 4.34Å; D41-Y56 WeakPolarHBondContact OD1-CE1 3.19Å; D41-Y56 PolarHBondContact OD1-OH 2.92Å; C43-Y56 HydrophobicContact CB-CE1 4.09Å; T54-Y56 HydrophobicContact CG2-CE2 4.31Å
57	L	97.4	Very high	88.6	Confident	1 Å²	1	69 Å²	69	1%	0.005	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	139.9	171	-173.5	63.2	0	0	0	108.8	V16 G17 F18 L32 L44 L109 I126 V128 I150	V16-L57 HydrophobicContact CG2-CD1 3.87Å; G17-L57 WeakPolarHBondContact O-CD1 3.38Å; F18-L57 HydrophobicContact CD1-CB 4.47Å; F18-L57 HydrophobicContact CD1-CD1 4.21Å; F18-L57 HydrophobicContact CE1-CB 4.34Å; F18-L57 HydrophobicContact CE1-CD1 3.73Å; F18-L57 HydrophobicContact CZ-CD1 4.04Å; L32-L57 WeakPolarHBondContact CB-O 3.17Å; L32-L57 HydrophobicContact CD1-CB 4.42Å; L32-L57 HydrophobicContact CD1-CD2 4.12Å; L32-L57 HydrophobicContact CD1-CG 4.31Å; L32-L57 PolarHBondContact N-O 2.87Å; L44-L57 HydrophobicContact CD1-CB 3.92Å; L57-L109 HydrophobicContact CD1-CD2 3.64Å; L57-I126 HydrophobicContact CD2-CG2 3.56Å; L57-V128 HydrophobicContact CD2-CG2 4.46Å; L57-I150 HydrophobicContact CD2-CD1 4.33Å; L57-I150 HydrophobicContact CD2-CG2 4.21Å
58	C	96.4	Very high	89.2	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	157.3	173.5	66.2	0	0	0	0	110.9	V16 G17 Y29 E30 V31	V16-C58 CarbonylContact C-O 3.58Å; V16-C58 WeakPolarHBondContact CA-O 3.47Å; G17-C58 PolarHBondContact N-O 3.17Å; G17-C58 PolarHBondContact O-N 2.65Å; G17-C58 PolarHBondContact O-SG 3.04Å; Y29-C58 HydrophobicContact CD1-CB 4.16Å; Y29-C58 VanDerWaalsContact CD1-SG 3.55Å; E30-C58 CarbonylContact O-C 3.58Å; E30-C58 WeakPolarHBondContact O-CA 3.31Å; E30-C58 VanDerWaalsContact O-CB 3.25Å; E30-C58 WeakPolarHBondContact O-CB 3.4Å; V31-C58 HydrophobicContact CB-CB 4.4Å; V31-C58 HydrophobicContact CG2-CB 4.02Å
59	Y	96.6	Very high	89.9	Confident	8 Å²	8	65.3 Å²	65.3	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	161.4	175.5	63.9	-103.3	0	0	0	111.7	I13 A15 Y29 E30 L32 I126	I13-Y59 HydrophobicContact CD1-CD1 4.31Å; I13-Y59 HydrophobicContact CD1-CD2 3.94Å; I13-Y59 HydrophobicContact CD1-CE2 4.28Å; I13-Y59 HydrophobicContact CD1-CG 3.99Å; I13-Y59 HydrophobicContact CG1-CD2 3.99Å; I13-Y59 HydrophobicContact CG1-CE2 4.4Å; I13-Y59 HydrophobicContact CG1-CG 4.44Å; I13-Y59 HydrophobicContact CG2-CD2 4.47Å; I13-Y59 HydrophobicContact CG2-CG 4.42Å; A15-Y59 CarbonylContact O-C 3.56Å; A15-Y59 WeakPolarHBondContact O-CA 3.33Å; A15-Y59 WeakPolarHBondContact O-CB 3.44Å; Y29-Y59 CarbonylContact C-O 3.48Å; Y29-Y59 WeakPolarHBondContact CA-O 3.29Å; E30-Y59 HydrophobicContact CB-CE2 4.18Å; E30-Y59 PolarHBondContact N-O 3.04Å; E30-Y59 PolarHBondContact O-N 2.92Å; E30-Y59 PolarHBondContact OE1-OH 2.96Å; E30-Y59 WeakPolarHBondContact OE2-CE2 3.49Å; E30-Y59 PolarHBondContact OE2-OH 3.26Å; L32-Y59 HydrophobicContact CD1-CD1 4.21Å; L32-Y59 HydrophobicContact CD1-CE1 3.97Å; L32-Y59 HydrophobicContact CD2-CE1 3.9Å; L32-Y59 HydrophobicContact CG-CD1 4.42Å; L32-Y59 HydrophobicContact CG-CE1 4.12Å; Y59-I126 HydrophobicContact CD1-CB 4.04Å; Y59-I126 HydrophobicContact CD1-CD1 3.99Å; Y59-I126 HydrophobicContact CD1-CG1 4.43Å; Y59-I126 HydrophobicContact CE1-CB 4.03Å; Y59-I126 HydrophobicContact CG-CD1 4.36Å
60	V	95.1	Very high	90.8	Very high	15 Å²	15	63.5 Å²	63.5	9%	0.091	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	130	169.1	-177.1	0	0	0	0	107.6	I13 T14 A15 K28 Y29	I13-V60 CarbonylContact C-O 3.59Å; I13-V60 WeakPolarHBondContact CA-O 3.29Å; T14-V60 PolarHBondContact N-O 2.86Å; A15-V60 HydrophobicContact CB-CB 4.07Å; A15-V60 HydrophobicContact CB-CG2 3.94Å; A15-V60 PolarHBondContact O-N 2.82Å; K28-V60 HydrophobicContact CB-CG1 4.29Å; K28-V60 HydrophobicContact CB-CG2 4.1Å; K28-V60 WeakPolarHBondContact O-CG2 3.28Å; Y29-V60 HydrophobicContact CD1-CG2 3.59Å; Y29-V60 HydrophobicContact CD2-CG2 4.01Å; Y29-V60 HydrophobicContact CE1-CG2 3.54Å; Y29-V60 HydrophobicContact CE2-CG2 3.95Å; Y29-V60 HydrophobicContact CG-CG2 3.83Å
61	S	94.1	Very high	91.7	Very high	50 Å²	50	58.7 Å²	58.7	35%	0.35	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	143.7	171.6	61.2	0	0	0	0	110.4	V12	V12-S61 CarbonylContact O-C 3.56Å; V12-S61 VanDerWaalsContact O-CA 3.31Å; V12-S61 WeakPolarHBondContact O-CA 3.24Å
62	E	93.5	Very high	92.9	Very high	54 Å²	54	59.2 Å²	59.2	25%	0.252	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147	177.8	-70.7	175.2	-148.5	0	0	109.3	C11 V12 T14 I64 K71	C11-E62 CarbonylContact C-O 3.59Å; C11-E62 VanDerWaalsContact CA-O 3.28Å; C11-E62 WeakPolarHBondContact CA-O 3.17Å; V12-E62 PolarHBondContact N-O 2.67Å; V12-E62 PolarHBondContact O-N 3.22Å; T14-E62 HydrophobicContact CG2-CB 4Å; T14-E62 HydrophobicContact CG2-CG 3.95Å; T14-E62 PolarHBondContact OG1-OE1 3.25Å; E62-I64 PolarHBondContact O-N 3.02Å; E62-K71 WeakPolarHBondContact OE1-CE 3.33Å; E62-K71 IonicContact OE1-NZ 3.46Å; E62-K71 PolarHBondContact OE1-NZ 2.81Å; E62-K71 WeakPolarHBondContact OE2-CE 3.43Å; E62-K71 IonicContact OE2-NZ 2.67Å; E62-K71 PolarHBondContact OE2-NZ 2.98Å
63	N	92.1	Very high	93.7	Very high	62 Å²	62	48.9 Å²	48.9	33%	0.332	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	129.1	174.6	-174.6	-65.3	0	0	0	109.2	N65 T66 C67	N63-N65 PolarHBondContact O-N 3.26Å; N63-N65 VanDerWaalsContact OD1-CB 3.3Å; N63-N65 WeakPolarHBondContact OD1-CB 3.17Å; N63-N65 PolarHBondContact OD1-N 3.12Å; N63-N65 PolarHBondContact OD1-ND2 3.13Å; N63-T66 PolarHBondContact O-N 2.64Å; N63-T66 VanDerWaalsContact O-N 3.11Å; N63-T66 PolarHBondContact O-OG1 2.69Å; N63-C67 PolarHBondContact O-N 3.48Å; N63-C67 VanDerWaalsContact O-N 3.14Å
64	I	90.3	Very high	94	Very high	18 Å²	18	43 Å²	43	9%	0.092	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-64	-31.1	-173.1	-164.8	164	0	0	0	113.3	S10 V12 E62 T66 C67 I157	S10-I64 WeakPolarHBondContact O-CB 3.34Å; S10-I64 VanDerWaalsContact O-CG2 3.29Å; S10-I64 WeakPolarHBondContact O-CG2 3.47Å; S10-I64 PolarHBondContact O-N 3.24Å; V12-I64 HydrophobicContact CG1-CB 4.27Å; V12-I64 HydrophobicContact CG1-CD1 3.56Å; V12-I64 HydrophobicContact CG1-CG1 3.86Å; E62-I64 PolarHBondContact O-N 3.02Å; I64-T66 VanDerWaalsContact C-N 3.26Å; I64-T66 PolarHBondContact O-N 3.26Å; I64-C67 PolarHBondContact O-N 2.78Å; I64-I157 HydrophobicContact CD1-CB 3.3Å; I64-I157 HydrophobicContact CD1-CD1 4.3Å; I64-I157 HydrophobicContact CD1-CG1 4.37Å; I64-I157 HydrophobicContact CD1-CG2 3.27Å
65	N	87.9	Confident	94.2	Very high	138 Å²	138	42.5 Å²	42.5	74%	0.738	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-74	-21.3	-179.8	-56.8	-43.5	0	0	0	111.9	N63	N63-N65 PolarHBondContact O-N 3.26Å; N63-N65 VanDerWaalsContact OD1-CB 3.3Å; N63-N65 WeakPolarHBondContact OD1-CB 3.17Å; N63-N65 PolarHBondContact OD1-N 3.12Å; N63-N65 PolarHBondContact OD1-ND2 3.13Å
66	T	89.8	Confident	94.3	Very high	106 Å²	106	44.7 Å²	44.7	65%	0.65	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-100.1	-4.9	176.1	59	0	0	0	0	112.9	N63 I64 T68	N63-T66 PolarHBondContact O-N 2.64Å; N63-T66 VanDerWaalsContact O-N 3.11Å; N63-T66 PolarHBondContact O-OG1 2.69Å; I64-T66 VanDerWaalsContact C-N 3.26Å; I64-T66 PolarHBondContact O-N 3.26Å; T66-T68 PolarHBondContact O-N 2.71Å
67	C	89.4	Confident	94.4	Very high	5 Å²	5	44 Å²	44	3%	0.034	24%	0.244	C	C	.	.	S	Bend	trans	-80.1	116.5	-176.9	-167	0	0	0	0	110.1	V12 N63 I64	V12-C67 HydrophobicContact CG2-CB 4.14Å; N63-C67 PolarHBondContact O-N 3.48Å; N63-C67 VanDerWaalsContact O-N 3.14Å; I64-C67 PolarHBondContact O-N 2.78Å
68	T	92.3	Very high	94.4	Very high	95 Å²	95	45.8 Å²	45.8	58%	0.583	26%	0.255	S	S	*	.			trans	-65.5	149.9	-178.6	65.7	0	0	0	0	111.4	T66 Q70 K71 R116	T66-T68 PolarHBondContact O-N 2.71Å; T68-Q70 PolarHBondContact O-N 3.14Å; T68-Q70 VanDerWaalsContact O-N 3.14Å; T68-K71 WeakPolarHBondContact O-CB 3.36Å; T68-K71 PolarHBondContact O-N 2.87Å; T68-R116 WeakPolarHBondContact O-CB 3.41Å
69	G	92.3	Very high	94.5	Very high	12 Å²	12	46.9 Å²	46.9	12%	0.124	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.2	-176.9	0	0	0	0	0	114.5	P115 R116 S117	G69-P115 CarbonylContact O-C 3.58Å; G69-R116 PolarHBondContact O-N 3.44Å; G69-S117 WeakPolarHBondContact O-CB 3.33Å; G69-S117 PolarHBondContact O-N 2.9Å; G69-S117 PolarHBondContact O-OG 3.21Å; G69-S117 VanDerWaalsContact O-OG 3.09Å
70	Q	94.2	Very high	94.5	Very high	147 Å²	147	47 Å²	47	69%	0.687	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-10.6	178.8	-62.7	-57	-40.7	0	0	113.7	T68 P72	T68-Q70 PolarHBondContact O-N 3.14Å; T68-Q70 VanDerWaalsContact O-N 3.14Å; Q70-P72 WeakPolarHBondContact O-CD 3.34Å
71	K	95.4	Very high	94.6	Very high	68 Å²	68	49.5 Å²	49.5	30%	0.296	28%	0.275	S	S	.	.	S	Bend	trans	-61.5	127.5	-179.8	-174.4	74	174.5	-147.2	0	109.6	T14 E62 T68 I73 R116	T14-K71 HydrophobicContact CG2-CG 4.05Å; E62-K71 WeakPolarHBondContact OE1-CE 3.33Å; E62-K71 IonicContact OE1-NZ 3.46Å; E62-K71 PolarHBondContact OE1-NZ 2.81Å; E62-K71 WeakPolarHBondContact OE2-CE 3.43Å; E62-K71 IonicContact OE2-NZ 2.67Å; E62-K71 PolarHBondContact OE2-NZ 2.98Å; T68-K71 WeakPolarHBondContact O-CB 3.36Å; T68-K71 PolarHBondContact O-N 2.87Å; K71-I73 PolarHBondContact O-N 3.22Å; K71-R116 PolarHBondContact O-N 3.37Å
72	P	97.1	Very high	94.6	Very high	67 Å²	67	50.6 Å²	50.6	44%	0.435	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	126.5	172.1	-20.6	33	0	0	0	110.4	Q70 F113	Q70-P72 WeakPolarHBondContact O-CD 3.34Å; P72-F113 HydrophobicContact CB-CB 4.01Å; P72-F113 HydrophobicContact CB-CD1 4.31Å; P72-F113 HydrophobicContact CB-CG 4.47Å
73	I	97.4	Very high	94.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.8	174	66.2	173.3	0	0	0	110.1	V12 I13 T14 K71 V75 F113 S114 R116 T119 A122 I157	V12-I73 HydrophobicContact CB-CB 4.45Å; V12-I73 HydrophobicContact CB-CG2 4.16Å; V12-I73 HydrophobicContact CG1-CD1 4.43Å; V12-I73 HydrophobicContact CG2-CG2 3.86Å; I13-I73 CarbonylContact O-C 3.54Å; I13-I73 WeakPolarHBondContact O-CA 3.34Å; T14-I73 HydrophobicContact CG2-CG2 4.31Å; K71-I73 PolarHBondContact O-N 3.22Å; I73-V75 HydrophobicContact CG1-CG1 4.44Å; I73-V75 PolarHBondContact O-N 3.25Å; I73-F113 VanDerWaalsContact C-CD1 3.49Å; I73-F113 CarbonylContact O-C 3.56Å; I73-F113 VanDerWaalsContact O-CA 3.25Å; I73-F113 WeakPolarHBondContact O-CA 3.44Å; I73-S114 WeakPolarHBondContact CG1-O 3.16Å; I73-S114 PolarHBondContact N-O 3.18Å; I73-S114 PolarHBondContact O-N 3.4Å; I73-R116 HydrophobicContact CD1-CB 4.22Å; I73-R116 HydrophobicContact CG2-CB 4.11Å; I73-T119 HydrophobicContact CD1-CG2 3.68Å; I73-T119 HydrophobicContact CG1-CG2 4.07Å; I73-A122 HydrophobicContact CD1-CB 3.64Å; I73-A122 HydrophobicContact CG1-CB 4.28Å; I73-I157 HydrophobicContact CD1-CD1 3.42Å; I73-I157 VanDerWaalsContact CD1-CD1 3.42Å
74	L	98.1	Very high	94.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	119.6	-177.2	-175.2	68	0	0	0	110.1	I13 V16 N76 L77 A111 F113 I123 I126	I13-L74 HydrophobicContact CB-CB 4.02Å; I13-L74 HydrophobicContact CB-CD2 4.15Å; I13-L74 HydrophobicContact CD1-CD2 4.45Å; I13-L74 HydrophobicContact CG2-CB 3.96Å; I13-L74 HydrophobicContact CG2-CD2 3.71Å; I13-L74 WeakPolarHBondContact O-CB 3.47Å; I13-L74 PolarHBondContact O-N 2.78Å; V16-L74 HydrophobicContact CB-CD2 4.47Å; V16-L74 HydrophobicContact CG1-CD1 4.19Å; V16-L74 HydrophobicContact CG1-CD2 4.4Å; L74-N76 WeakPolarHBondContact CD1-O 3.25Å; L74-L77 HydrophobicContact CD1-CD2 3.93Å; L74-L77 HydrophobicContact CD1-CG 4.14Å; L74-L77 HydrophobicContact CD2-CD1 3.88Å; L74-L77 HydrophobicContact CD2-CD2 4.19Å; L74-L77 HydrophobicContact CD2-CG 3.88Å; L74-L77 HydrophobicContact CG-CG 4.34Å; L74-A111 HydrophobicContact CD1-CB 3.79Å; L74-F113 HydrophobicContact CB-CD1 4.2Å; L74-F113 HydrophobicContact CB-CE1 3.83Å; L74-F113 HydrophobicContact CB-CZ 4.44Å; L74-F113 HydrophobicContact CD1-CD1 4.47Å; L74-F113 HydrophobicContact CD1-CE1 4Å; L74-F113 HydrophobicContact CD1-CE2 4.09Å; L74-F113 HydrophobicContact CD1-CZ 3.8Å; L74-I123 HydrophobicContact CD2-CB 4.09Å; L74-I123 HydrophobicContact CD2-CD1 4.17Å; L74-I123 HydrophobicContact CD2-CG2 4.15Å; L74-I123 HydrophobicContact CG-CB 4.19Å; L74-I123 HydrophobicContact CG-CD1 4.12Å; L74-I123 PolarHBondContact O-N 2.86Å; L74-I126 HydrophobicContact CD2-CD1 3.92Å
75	V	97.2	Very high	95.1	Very high	23 Å²	23	60.9 Å²	60.9	14%	0.139	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-20.8	-179	-63.8	0	0	0	0	113.5	I73 K112 T119	I73-V75 HydrophobicContact CG1-CG1 4.44Å; I73-V75 PolarHBondContact O-N 3.25Å; V75-K112 HydrophobicContact CG2-CB 4.06Å; V75-K112 HydrophobicContact CG2-CD 3.92Å; V75-K112 HydrophobicContact CG2-CG 3.61Å; V75-K112 VanDerWaalsContact CG2-O 3.29Å; V75-K112 WeakPolarHBondContact CG2-O 3.38Å; V75-K112 PolarHBondContact N-O 2.95Å; V75-T119 HydrophobicContact CG1-CG2 3.75Å
76	N	97.5	Very high	95.6	Very high	50 Å²	50	56 Å²	56	27%	0.267	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	150.4	175.1	-162.2	29.1	0	0	0	112	L74 V78 H90 K112	L74-N76 WeakPolarHBondContact CD1-O 3.25Å; N76-V78 WeakPolarHBondContact ND2-CG2 3.24Å; N76-H90 PolarHBondContact ND2-NE2 3.37Å; N76-K112 HydrophobicContact CB-CB 3.99Å; N76-K112 PolarHBondContact N-O 3.36Å; N76-K112 PolarHBondContact O-N 2.81Å
77	L	97.8	Very high	96	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.9	170.3	-77.6	175.6	0	0	0	109.4	V16 L74 L109 C110 A111 I123 I126 I142	V16-L77 HydrophobicContact CG1-CD2 4.12Å; L74-L77 HydrophobicContact CD1-CD2 3.93Å; L74-L77 HydrophobicContact CD1-CG 4.14Å; L74-L77 HydrophobicContact CD2-CD1 3.88Å; L74-L77 HydrophobicContact CD2-CD2 4.19Å; L74-L77 HydrophobicContact CD2-CG 3.88Å; L74-L77 HydrophobicContact CG-CG 4.34Å; L77-L109 HydrophobicContact CD2-CD1 4.28Å; L77-L109 HydrophobicContact CD2-CD2 4.24Å; L77-L109 HydrophobicContact CD2-CG 4.21Å; L77-C110 WeakPolarHBondContact CA-O 3.11Å; L77-A111 HydrophobicContact CD2-CB 3.83Å; L77-I123 HydrophobicContact CB-CD1 4.16Å; L77-I123 HydrophobicContact CD1-CD1 4.22Å; L77-I123 HydrophobicContact CG-CD1 3.94Å; L77-I126 HydrophobicContact CD1-CD1 3.58Å; L77-I126 HydrophobicContact CD1-CG1 3.9Å; L77-I142 HydrophobicContact CB-CD1 4.01Å; L77-I142 HydrophobicContact CB-CG1 4.23Å; L77-I142 HydrophobicContact CB-CG2 4.31Å; L77-I142 WeakPolarHBondContact O-CD1 3.43Å
78	V	97.7	Very high	96.3	Very high	40 Å²	40	56.1 Å²	56.1	24%	0.242	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.6	176.7	-175.3	0	0	0	0	108.9	N76 V80 P87 C110	N76-V78 WeakPolarHBondContact ND2-CG2 3.24Å; V78-V80 HydrophobicContact CG1-CG1 3.81Å; V78-P87 HydrophobicContact CB-CG 4.48Å; V78-P87 HydrophobicContact CG1-CG 4.27Å; V78-C110 HydrophobicContact CB-CB 4.49Å; V78-C110 PolarHBondContact N-O 2.53Å; V78-C110 PolarHBondContact O-N 2.74Å
79	L	97.9	Very high	96.5	Very high	23 Å²	23	57.8 Å²	57.8	12%	0.12	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.4	170.7	-168.7	73	0	0	0	108.6	L104 K107 L109 I142 D144 I145	L79-L104 HydrophobicContact CD1-CD1 4.12Å; L79-K107 HydrophobicContact CD1-CB 3.79Å; L79-K107 HydrophobicContact CD1-CG 4.46Å; L79-K107 HydrophobicContact CD2-CB 4.39Å; L79-K107 HydrophobicContact CD2-CD 4.37Å; L79-K107 HydrophobicContact CD2-CG 4.17Å; L79-K107 HydrophobicContact CG-CB 4.01Å; L79-K107 HydrophobicContact CG-CD 4.25Å; L79-K107 HydrophobicContact CG-CG 4.21Å; L79-L109 HydrophobicContact CD1-CB 4.32Å; L79-L109 HydrophobicContact CD1-CD1 4.24Å; L79-I142 HydrophobicContact CB-CG2 4.08Å; L79-D144 WeakPolarHBondContact CD2-O 3.39Å; L79-I145 HydrophobicContact CD2-CB 4.28Å
80	V	97.5	Very high	96.7	Very high	11 Å²	11	58.5 Å²	58.5	7%	0.067	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	160.6	179.1	-58.8	0	0	0	0	110.6	V78 E84 I86 P87 K107 I108	V78-V80 HydrophobicContact CG1-CG1 3.81Å; V80-E84 HydrophobicContact CB-CB 4.34Å; V80-I86 HydrophobicContact CG2-CD1 4.42Å; V80-P87 HydrophobicContact CG1-CG 4.12Å; V80-K107 CarbonylContact O-C 3.51Å; V80-K107 WeakPolarHBondContact O-CA 3.32Å; V80-K107 WeakPolarHBondContact O-CD 3.49Å; V80-I108 HydrophobicContact CG2-CB 3.93Å; V80-I108 PolarHBondContact N-O 2.67Å; V80-I108 PolarHBondContact O-N 3.36Å
81	D	97.2	Very high	96.9	Very high	66 Å²	66	58 Å²	58	35%	0.353	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	149	171	-80.3	-59.5	0	0	0	111.7	G83 E84 K107	D81-G83 PolarHBondContact O-N 3.07Å; D81-E84 HydrophobicContact CB-CG 3.83Å; D81-E84 PolarHBondContact N-OE2 3.28Å; D81-E84 WeakPolarHBondContact O-CB 3.43Å; D81-E84 PolarHBondContact O-N 2.83Å; D81-E84 VanDerWaalsContact O-N 3.07Å; D81-K107 VanDerWaalsContact OD1-CD 3.31Å; D81-K107 WeakPolarHBondContact OD1-CD 3.29Å; D81-K107 WeakPolarHBondContact OD1-CE 3.47Å; D81-K107 IonicContact OD1-NZ 3.44Å; D81-K107 PolarHBondContact OD1-NZ 3.07Å; D81-K107 IonicContact OD2-NZ 3.82Å; D81-K107 PolarHBondContact OD2-NZ 3.28Å
82	D	95	Very high	97	Very high	74 Å²	74	56 Å²	56	40%	0.396	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	124.4	175.3	-173.5	37.8	0	0	0	110.4	R102 R106	D82-R102 IonicContact OD1-NH2 3.44Å; D82-R102 PolarHBondContact OD1-NH2 3.36Å; D82-R102 VanDerWaalsContact OD1-NH2 3.09Å; D82-R102 IonicContact OD2-CZ 3.36Å; D82-R102 IonicContact OD2-NH1 3.09Å; D82-R102 PolarHBondContact OD2-NH1 2.92Å; D82-R102 IonicContact OD2-NH2 3.29Å; D82-R102 PolarHBondContact OD2-NH2 2.98Å; D82-R106 PolarHBondContact N-O 2.98Å
83	G	94.6	Very high	97.1	Very high	74 Å²	74	54.2 Å²	54.2	76%	0.763	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.3	-10.5	-173.1	0	0	0	0	0	114.8	D81	D81-G83 PolarHBondContact O-N 3.07Å
84	E	95.6	Very high	97.1	Very high	107 Å²	107	59.8 Å²	59.8	50%	0.5	33%	0.333	S	S	.	.	S	Bend	trans	-72.4	156.3	169	-70.4	-172.3	149	0	0	111.9	V80 D81	V80-E84 HydrophobicContact CB-CB 4.34Å; D81-E84 HydrophobicContact CB-CG 3.83Å; D81-E84 PolarHBondContact N-OE2 3.28Å; D81-E84 WeakPolarHBondContact O-CB 3.43Å; D81-E84 PolarHBondContact O-N 2.83Å; D81-E84 VanDerWaalsContact O-N 3.07Å
85	H	96.2	Very high	97	Very high	169 Å²	169	63.8 Å²	63.8	78%	0.782	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-68.2	134.3	178.5	-177.8	-85.9	0	0	0	111.5
86	I	97.6	Very high	97	Very high	35 Å²	35	62.9 Å²	62.9	18%	0.179	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-67.8	125.2	177.6	-54.3	-51.1	0	0	0	109.9	V80 H90 A92 I108	V80-I86 HydrophobicContact CG2-CD1 4.42Å; I86-H90 HydrophobicContact CG2-CB 4.13Å; I86-H90 WeakPolarHBondContact CG2-O 3.5Å; I86-A92 HydrophobicContact CD1-CB 3.76Å; I86-A92 HydrophobicContact CG1-CB 4.14Å; I86-I108 HydrophobicContact CD1-CD1 4.48Å; I86-I108 HydrophobicContact CD1-CG2 4.41Å
87	P	97.3	Very high	96.8	Very high	37 Å²	37	63.9 Å²	63.9	24%	0.24	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-56.6	144.7	-178.9	-25.4	34	0	0	0	112.5	V78 V80 N89 H90	V78-P87 HydrophobicContact CB-CG 4.48Å; V78-P87 HydrophobicContact CG1-CG 4.27Å; V80-P87 HydrophobicContact CG1-CG 4.12Å; P87-N89 PolarHBondContact O-N 3.09Å; P87-H90 WeakPolarHBondContact O-CB 3.32Å; P87-H90 PolarHBondContact O-N 3.38Å; P87-H90 PolarHBondContact O-ND1 3.04Å
88	A	95.6	Very high	96.6	Very high	76 Å²	76	65.4 Å²	65.4	63%	0.628	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	135.8	-176.9	0	0	0	0	0	112.2	H90	A88-H90 PolarHBondContact O-N 3.46Å; A88-H90 PolarHBondContact O-ND1 3.38Å
89	N	96.5	Very high	96.4	Very high	130 Å²	130	66.8 Å²	66.8	70%	0.695	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	12.5	-177.6	-47.3	-66.6	0	0	0	115.6	P87 K112	P87-N89 PolarHBondContact O-N 3.09Å; N89-K112 HydrophobicContact CB-CD 4.27Å; N89-K112 WeakPolarHBondContact O-CG 3.34Å
90	H	98.2	Very high	96.2	Very high	27 Å²	27	67.9 Å²	67.9	13%	0.125	39%	0.387	C	S	.	.			trans	-98.5	152.3	171	-63.1	62.3	0	0	0	110.7	N76 I86 P87 A88 C110 A111	N76-H90 PolarHBondContact ND2-NE2 3.37Å; I86-H90 HydrophobicContact CG2-CB 4.13Å; I86-H90 WeakPolarHBondContact CG2-O 3.5Å; P87-H90 WeakPolarHBondContact O-CB 3.32Å; P87-H90 PolarHBondContact O-N 3.38Å; P87-H90 PolarHBondContact O-ND1 3.04Å; A88-H90 PolarHBondContact O-N 3.46Å; A88-H90 PolarHBondContact O-ND1 3.38Å; H90-C110 HydrophobicContact CB-CB 3.87Å; H90-A111 CarbonylContact C-O 3.58Å; H90-A111 WeakPolarHBondContact CA-O 3.1Å
91	Q	97.7	Very high	96.1	Very high	138 Å²	138	71.5 Å²	71.5	65%	0.645	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.4	171.8	-61.2	176.8	5.4	0	0	108.4	C110 A111	Q91-C110 CarbonylContact O-C 3.49Å; Q91-C110 WeakPolarHBondContact O-CA 3.25Å; Q91-A111 PolarHBondContact N-O 2.8Å; Q91-A111 PolarHBondContact O-N 3.19Å
92	A	98.1	Very high	96	Very high	26 Å²	26	73.1 Å²	73.1	22%	0.215	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	137.9	177.4	0	0	0	0	0	111.4	I86 Y94 I108	I86-A92 HydrophobicContact CD1-CB 3.76Å; I86-A92 HydrophobicContact CG1-CB 4.14Å; A92-Y94 HydrophobicContact CB-CD2 3.91Å; A92-Y94 HydrophobicContact CB-CE1 4.23Å; A92-Y94 HydrophobicContact CB-CE2 3.3Å; A92-Y94 VanDerWaalsContact CB-CZ 3.47Å; A92-I108 HydrophobicContact CB-CG2 3.67Å
93	I	97.9	Very high	96.1	Very high	29 Å²	29	69.6 Å²	69.6	15%	0.149	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	89.6	177.5	-53.5	170.1	0	0	0	108.1	V16 F18 L109 A111	V16-I93 HydrophobicContact CG1-CD1 3.69Å; F18-I93 HydrophobicContact CD2-CB 4.46Å; F18-I93 HydrophobicContact CD2-CG2 3.66Å; F18-I93 HydrophobicContact CE2-CB 4.15Å; F18-I93 HydrophobicContact CE2-CG2 3.85Å; I93-L109 HydrophobicContact CD1-CD2 4.31Å; I93-L109 PolarHBondContact N-O 2.92Å; I93-A111 HydrophobicContact CD1-CB 4.13Å
94	Y	97.5	Very high	96.2	Very high	116 Å²	116	66.3 Å²	66.3	46%	0.455	35%	0.35	S	S	.	.			trans	-81.5	-34.3	-174.6	-69.8	-73.1	0	0	0	113.7	A92 A103 I108	A92-Y94 HydrophobicContact CB-CD2 3.91Å; A92-Y94 HydrophobicContact CB-CE1 4.23Å; A92-Y94 HydrophobicContact CB-CE2 3.3Å; A92-Y94 VanDerWaalsContact CB-CZ 3.47Å; Y94-A103 WeakPolarHBondContact O-CB 3.27Å; Y94-A103 PolarHBondContact O-N 2.89Å; Y94-I108 HydrophobicContact CD1-CD1 4.36Å; Y94-I108 HydrophobicContact CD1-CG1 4.44Å; Y94-I108 HydrophobicContact CE1-CD1 3.6Å; Y94-I108 HydrophobicContact CE1-CG1 4.13Å; Y94-I108 HydrophobicContact CE1-CG2 4.29Å
95	N	96.9	Very high	96	Very high	84 Å²	84	67 Å²	67	45%	0.449	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-123.5	153.9	-166.3	-59.3	77.8	0	0	0	111.2	G100 E101	N95-G100 PolarHBondContact ND2-O 3.31Å; N95-E101 CarbonylContact C-O 3.5Å; N95-E101 WeakPolarHBondContact CA-O 3.42Å
96	T	96.1	Very high	95.9	Very high	5 Å²	5	68.1 Å²	68.1	3%	0.031	35%	0.349	C	S	.	.			trans	-68.5	143.6	169.5	54.3	0	0	0	0	110.2	F18 A20 D98 T99 G100 E101	F18-T96 HydrophobicContact CB-CG2 4.16Å; F18-T96 CarbonylContact O-C 3.55Å; F18-T96 VanDerWaalsContact O-CA 3.24Å; F18-T96 WeakPolarHBondContact O-CA 3.16Å; A20-T96 HydrophobicContact CB-CG2 4.49Å; T96-D98 VanDerWaalsContact C-N 3.32Å; T96-D98 VanDerWaalsContact CB-OD1 3.28Å; T96-D98 WeakPolarHBondContact CB-OD1 3.07Å; T96-T99 PolarHBondContact OG1-N 2.92Å; T96-T99 PolarHBondContact OG1-OG1 3.49Å; T96-G100 VanDerWaalsContact O-CA 3.29Å; T96-G100 WeakPolarHBondContact O-CA 3.41Å; T96-G100 PolarHBondContact O-N 2.92Å; T96-G100 PolarHBondContact OG1-N 2.84Å; T96-E101 PolarHBondContact N-O 2.89Å; T96-E101 PolarHBondContact OG1-N 2.91Å; T96-E101 VanDerWaalsContact OG1-N 3.13Å; T96-E101 PolarHBondContact OG1-O 2.86Å
97	I	94.2	Very high	95.9	Very high	71 Å²	71	69 Å²	69	36%	0.364	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-35.3	-179.9	-61.4	161.8	0	0	0	110.5	F18 Y29	F18-I97 PolarHBondContact O-N 2.89Å; Y29-I97 HydrophobicContact CD1-CD1 4.29Å; Y29-I97 HydrophobicContact CE1-CD1 3.64Å; Y29-I97 HydrophobicContact CE2-CD1 4.41Å
98	D	93	Very high	95.9	Very high	36 Å²	36	67.6 Å²	67.6	19%	0.193	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-40.1	-173.7	60.6	-21.2	0	0	0	113.7	V19 A20 Q21 T96	V19-D98 WeakPolarHBondContact CA-OD1 3.39Å; V19-D98 HydrophobicContact CG1-CB 4.37Å; A20-D98 VanDerWaalsContact N-CG 3.29Å; A20-D98 PolarHBondContact N-OD1 2.63Å; A20-D98 PolarHBondContact N-OD2 3.34Å; Q21-D98 PolarHBondContact N-OD2 2.88Å; T96-D98 VanDerWaalsContact C-N 3.32Å; T96-D98 VanDerWaalsContact CB-OD1 3.28Å; T96-D98 WeakPolarHBondContact CB-OD1 3.07Å
99	T	93.4	Very high	96	Very high	68 Å²	68	64 Å²	64	42%	0.417	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-10.7	-175.9	64	0	0	0	0	114.6	A20 T96 E101	A20-T99 HydrophobicContact CB-CG2 3.76Å; T96-T99 PolarHBondContact OG1-N 2.92Å; T96-T99 PolarHBondContact OG1-OG1 3.49Å; T99-E101 PolarHBondContact O-N 2.94Å; T99-E101 VanDerWaalsContact O-N 3.12Å; T99-E101 WeakPolarHBondContact OG1-CG 3.31Å
100	G	94.8	Very high	96.1	Very high	46 Å²	46	57.8 Å²	57.8	47%	0.474	28%	0.279	S	S	.	.			trans	65.8	7.5	-174.1	0	0	0	0	0	113.7	N95 T96	N95-G100 PolarHBondContact ND2-O 3.31Å; T96-G100 VanDerWaalsContact O-CA 3.29Å; T96-G100 WeakPolarHBondContact O-CA 3.41Å; T96-G100 PolarHBondContact O-N 2.92Å; T96-G100 PolarHBondContact OG1-N 2.84Å
101	E	95.3	Very high	96.1	Very high	87 Å²	87	56.5 Å²	56.5	41%	0.407	27%	0.273	S	S	.	.	S	Bend	trans	-80.7	160.4	178.5	-65.9	-173.8	140.2	0	0	110.9	R55 N95 T96 T99 A103	R55-E101 IonicContact CZ-OE2 2.53Å; R55-E101 IonicContact NH1-OE2 3.51Å; R55-E101 PolarHBondContact NH1-OE2 2.98Å; R55-E101 VanDerWaalsContact NH2-CB 3.25Å; R55-E101 IonicContact NH2-OE2 2.67Å; R55-E101 PolarHBondContact NH2-OE2 3.19Å; N95-E101 CarbonylContact C-O 3.5Å; N95-E101 WeakPolarHBondContact CA-O 3.42Å; T96-E101 PolarHBondContact N-O 2.89Å; T96-E101 PolarHBondContact OG1-N 2.91Å; T96-E101 VanDerWaalsContact OG1-N 3.13Å; T96-E101 PolarHBondContact OG1-O 2.86Å; T99-E101 PolarHBondContact O-N 2.94Å; T99-E101 VanDerWaalsContact O-N 3.12Å; T99-E101 WeakPolarHBondContact OG1-CG 3.31Å; E101-A103 PolarHBondContact O-N 3.2Å
102	R	95.7	Very high	96.1	Very high	101 Å²	101	53.3 Å²	53.3	38%	0.381	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-51.9	127.2	175.2	-174.3	162.6	179.7	147.2	13.9	111.7	W45 R55 D82 L104 K105	W45-R102 WeakPolarHBondContact CZ3-O 3.21Å; R55-R102 PolarHBondContact NE-O 2.78Å; R55-R102 PolarHBondContact NH2-O 2.86Å; R55-R102 VanDerWaalsContact NH2-O 3.14Å; D82-R102 IonicContact OD1-NH2 3.44Å; D82-R102 PolarHBondContact OD1-NH2 3.36Å; D82-R102 VanDerWaalsContact OD1-NH2 3.09Å; D82-R102 IonicContact OD2-CZ 3.36Å; D82-R102 IonicContact OD2-NH1 3.09Å; D82-R102 PolarHBondContact OD2-NH1 2.92Å; D82-R102 IonicContact OD2-NH2 3.29Å; D82-R102 PolarHBondContact OD2-NH2 2.98Å; R102-L104 WeakPolarHBondContact CG-O 3.17Å; R102-L104 PolarHBondContact NE-O 3.44Å; R102-L104 PolarHBondContact NH2-O 2.53Å; R102-K105 PolarHBondContact NH2-O 3.13Å
103	A	96.2	Very high	96.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-75.4	-45.6	-175.1	0	0	0	0	0	112.4	F18 R55 Y94 E101	F18-A103 HydrophobicContact CB-CB 3.94Å; F18-A103 HydrophobicContact CD2-CB 3.38Å; F18-A103 HydrophobicContact CE2-CB 4.01Å; F18-A103 HydrophobicContact CG-CB 3.75Å; R55-A103 WeakPolarHBondContact CD-O 3.4Å; R55-A103 WeakPolarHBondContact CG-O 3.16Å; Y94-A103 WeakPolarHBondContact O-CB 3.27Å; Y94-A103 PolarHBondContact O-N 2.89Å; E101-A103 PolarHBondContact O-N 3.2Å
104	L	96	Very high	96.1	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	26%	0.259	C	S	.	.			trans	-138.2	147.5	-175.5	-60.4	178.9	0	0	0	110.3	F18 L44 L79 R102 K107 L109 I145	F18-L104 HydrophobicContact CD1-CD2 4.41Å; F18-L104 HydrophobicContact CE1-CD1 4.21Å; F18-L104 HydrophobicContact CE1-CD2 3.95Å; F18-L104 HydrophobicContact CE1-CG 4.19Å; F18-L104 HydrophobicContact CE2-CD1 4.25Å; F18-L104 HydrophobicContact CE2-CG 4.33Å; F18-L104 HydrophobicContact CZ-CD1 3.66Å; F18-L104 HydrophobicContact CZ-CD2 4.21Å; F18-L104 HydrophobicContact CZ-CG 3.94Å; L44-L104 HydrophobicContact CB-CD2 3.78Å; L44-L104 HydrophobicContact CD1-CD2 4.39Å; L79-L104 HydrophobicContact CD1-CD1 4.12Å; R102-L104 WeakPolarHBondContact CG-O 3.17Å; R102-L104 PolarHBondContact NE-O 3.44Å; R102-L104 PolarHBondContact NH2-O 2.53Å; L104-K107 WeakPolarHBondContact CB-O 3.39Å; L104-K107 HydrophobicContact CD1-CB 4.35Å; L104-L109 HydrophobicContact CD1-CB 4.47Å; L104-I145 HydrophobicContact CB-CD1 4.15Å; L104-I145 HydrophobicContact CD1-CD1 3.52Å; L104-I145 HydrophobicContact CD2-CD1 3.4Å; L104-I145 HydrophobicContact CG-CD1 3.86Å
105	K	92.5	Very high	96.1	Very high	123 Å²	123	51.4 Å²	51.4	54%	0.535	25%	0.253	S	S	.	.	S	Bend	trans	-85	-44	-172.7	-172.2	175.6	-178.7	177.6	0	115	W45 R102	W45-K105 HydrophobicContact CH2-CB 4.36Å; W45-K105 HydrophobicContact CZ3-CB 4.44Å; R102-K105 PolarHBondContact NH2-O 3.13Å
106	R	93	Very high	95.9	Very high	192 Å²	192	47.9 Å²	47.9	73%	0.725	23%	0.234	S	C	*	.	S	Bend	trans	-119.3	-4.8	-172.4	-67.3	-177.2	176.3	169.5	-1.5	113.8	D82	D82-R106 PolarHBondContact N-O 2.98Å
107	K	97.3	Very high	95.8	Very high	53 Å²	53	49.9 Å²	49.9	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.4	-175	-64.8	-64.4	-169.3	-178.7	0	108.7	L79 V80 D81 L104 I145	L79-K107 HydrophobicContact CD1-CB 3.79Å; L79-K107 HydrophobicContact CD1-CG 4.46Å; L79-K107 HydrophobicContact CD2-CB 4.39Å; L79-K107 HydrophobicContact CD2-CD 4.37Å; L79-K107 HydrophobicContact CD2-CG 4.17Å; L79-K107 HydrophobicContact CG-CB 4.01Å; L79-K107 HydrophobicContact CG-CD 4.25Å; L79-K107 HydrophobicContact CG-CG 4.21Å; V80-K107 CarbonylContact O-C 3.51Å; V80-K107 WeakPolarHBondContact O-CA 3.32Å; V80-K107 WeakPolarHBondContact O-CD 3.49Å; D81-K107 VanDerWaalsContact OD1-CD 3.31Å; D81-K107 WeakPolarHBondContact OD1-CD 3.29Å; D81-K107 WeakPolarHBondContact OD1-CE 3.47Å; D81-K107 IonicContact OD1-NZ 3.44Å; D81-K107 PolarHBondContact OD1-NZ 3.07Å; D81-K107 IonicContact OD2-NZ 3.82Å; D81-K107 PolarHBondContact OD2-NZ 3.28Å; L104-K107 WeakPolarHBondContact CB-O 3.39Å; L104-K107 HydrophobicContact CD1-CB 4.35Å; K107-I145 HydrophobicContact CB-CD1 3.96Å; K107-I145 HydrophobicContact CG-CD1 4.22Å
108	I	97.6	Very high	95.8	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.036	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.8	171	-60.3	162.8	0	0	0	107.3	V80 I86 A92 Y94	V80-I108 HydrophobicContact CG2-CB 3.93Å; V80-I108 PolarHBondContact N-O 2.67Å; V80-I108 PolarHBondContact O-N 3.36Å; I86-I108 HydrophobicContact CD1-CD1 4.48Å; I86-I108 HydrophobicContact CD1-CG2 4.41Å; A92-I108 HydrophobicContact CB-CG2 3.67Å; Y94-I108 HydrophobicContact CD1-CD1 4.36Å; Y94-I108 HydrophobicContact CD1-CG1 4.44Å; Y94-I108 HydrophobicContact CE1-CD1 3.6Å; Y94-I108 HydrophobicContact CE1-CG1 4.13Å; Y94-I108 HydrophobicContact CE1-CG2 4.29Å
109	L	98.3	Very high	95.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	125.1	169.8	-172.9	70.7	0	0	0	108.6	V16 F18 L57 L77 L79 I93 L104 I142	V16-L109 HydrophobicContact CG2-CD2 4.46Å; F18-L109 HydrophobicContact CE2-CB 3.88Å; F18-L109 HydrophobicContact CE2-CD2 4.09Å; F18-L109 HydrophobicContact CZ-CB 3.69Å; F18-L109 HydrophobicContact CZ-CD2 3.67Å; F18-L109 HydrophobicContact CZ-CG 4.32Å; L57-L109 HydrophobicContact CD1-CD2 3.64Å; L77-L109 HydrophobicContact CD2-CD1 4.28Å; L77-L109 HydrophobicContact CD2-CD2 4.24Å; L77-L109 HydrophobicContact CD2-CG 4.21Å; L79-L109 HydrophobicContact CD1-CB 4.32Å; L79-L109 HydrophobicContact CD1-CD1 4.24Å; I93-L109 HydrophobicContact CD1-CD2 4.31Å; I93-L109 PolarHBondContact N-O 2.92Å; L104-L109 HydrophobicContact CD1-CB 4.47Å; L109-I142 HydrophobicContact CD1-CG2 4.21Å
110	C	98.4	Very high	95.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.8	-179.7	-57.9	0	0	0	0	109.2	L77 V78 H90 Q91	L77-C110 WeakPolarHBondContact CA-O 3.11Å; V78-C110 HydrophobicContact CB-CB 4.49Å; V78-C110 PolarHBondContact N-O 2.53Å; V78-C110 PolarHBondContact O-N 2.74Å; H90-C110 HydrophobicContact CB-CB 3.87Å; Q91-C110 CarbonylContact O-C 3.49Å; Q91-C110 WeakPolarHBondContact O-CA 3.25Å
111	A	98.5	Very high	95.7	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.6	-178.1	0	0	0	0	0	111	V16 L74 L77 H90 Q91 I93 F113	V16-A111 HydrophobicContact CG1-CB 3.8Å; L74-A111 HydrophobicContact CD1-CB 3.79Å; L77-A111 HydrophobicContact CD2-CB 3.83Å; H90-A111 CarbonylContact C-O 3.58Å; H90-A111 WeakPolarHBondContact CA-O 3.1Å; Q91-A111 PolarHBondContact N-O 2.8Å; Q91-A111 PolarHBondContact O-N 3.19Å; I93-A111 HydrophobicContact CD1-CB 4.13Å; A111-F113 HydrophobicContact CB-CD2 4.28Å; A111-F113 HydrophobicContact CB-CE2 3.6Å; A111-F113 HydrophobicContact CB-CZ 4.3Å
112	K	98.3	Very high	95.7	Very high	70 Å²	70	48.2 Å²	48.2	30%	0.304	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128	169.8	-179.8	177.7	178	-179.5	0	109.1	V75 N76 N89	V75-K112 HydrophobicContact CG2-CB 4.06Å; V75-K112 HydrophobicContact CG2-CD 3.92Å; V75-K112 HydrophobicContact CG2-CG 3.61Å; V75-K112 VanDerWaalsContact CG2-O 3.29Å; V75-K112 WeakPolarHBondContact CG2-O 3.38Å; V75-K112 PolarHBondContact N-O 2.95Å; N76-K112 HydrophobicContact CB-CB 3.99Å; N76-K112 PolarHBondContact N-O 3.36Å; N76-K112 PolarHBondContact O-N 2.81Å; N89-K112 HydrophobicContact CB-CD 4.27Å; N89-K112 WeakPolarHBondContact O-CG 3.34Å
113	F	98.2	Very high	95.7	Very high	57 Å²	57	43.4 Å²	43.4	25%	0.25	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	151	173.6	-66.5	-94.4	0	0	0	110.5	V16 P72 I73 L74 A111	V16-F113 HydrophobicContact CG1-CZ 4.01Å; P72-F113 HydrophobicContact CB-CB 4.01Å; P72-F113 HydrophobicContact CB-CD1 4.31Å; P72-F113 HydrophobicContact CB-CG 4.47Å; I73-F113 VanDerWaalsContact C-CD1 3.49Å; I73-F113 CarbonylContact O-C 3.56Å; I73-F113 VanDerWaalsContact O-CA 3.25Å; I73-F113 WeakPolarHBondContact O-CA 3.44Å; L74-F113 HydrophobicContact CB-CD1 4.2Å; L74-F113 HydrophobicContact CB-CE1 3.83Å; L74-F113 HydrophobicContact CB-CZ 4.44Å; L74-F113 HydrophobicContact CD1-CD1 4.47Å; L74-F113 HydrophobicContact CD1-CE1 4Å; L74-F113 HydrophobicContact CD1-CE2 4.09Å; L74-F113 HydrophobicContact CD1-CZ 3.8Å; A111-F113 HydrophobicContact CB-CD2 4.28Å; A111-F113 HydrophobicContact CB-CE2 3.6Å; A111-F113 HydrophobicContact CB-CZ 4.3Å
114	S	97.2	Very high	95.7	Very high	24 Å²	24	43.7 Å²	43.7	17%	0.168	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149	172.2	-174.9	0	0	0	0	108.8	I73 R116	I73-S114 WeakPolarHBondContact CG1-O 3.16Å; I73-S114 PolarHBondContact N-O 3.18Å; I73-S114 PolarHBondContact O-N 3.4Å; S114-R116 PolarHBondContact O-N 2.94Å
115	P	96.2	Very high	95.6	Very high	50 Å²	50	47.6 Å²	47.6	33%	0.325	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	138	166.8	-24.1	34	0	0	0	110.6	G69 S117 A118	G69-P115 CarbonylContact O-C 3.58Å; P115-S117 PolarHBondContact O-N 3.19Å; P115-A118 HydrophobicContact CB-CB 4.15Å; P115-A118 HydrophobicContact CG-CB 4.41Å; P115-A118 PolarHBondContact O-N 3.43Å
116	R	94.3	Very high	95.7	Very high	11 Å²	11	41.8 Å²	41.8	4%	0.042	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-52	-36.1	177.6	169	61.6	-169.2	103.9	-7.7	113.1	T68 G69 K71 I73 S114 A118 T119 I157 G158	T68-R116 WeakPolarHBondContact O-CB 3.41Å; G69-R116 PolarHBondContact O-N 3.44Å; K71-R116 PolarHBondContact O-N 3.37Å; I73-R116 HydrophobicContact CD1-CB 4.22Å; I73-R116 HydrophobicContact CG2-CB 4.11Å; S114-R116 PolarHBondContact O-N 2.94Å; R116-A118 VanDerWaalsContact C-N 3.3Å; R116-A118 PolarHBondContact O-N 2.89Å; R116-T119 PolarHBondContact NH1-O 2.83Å; R116-I157 VanDerWaalsContact NH1-CD1 3.33Å; R116-I157 PolarHBondContact NH2-O 2.81Å; R116-G158 PolarHBondContact NH1-O 2.95Å; R116-G158 PolarHBondContact NH2-O 3.36Å
117	S	93.5	Very high	95.8	Very high	47 Å²	47	32.7 Å²	32.7	33%	0.329	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-71.7	-21.2	178.1	58.4	0	0	0	0	113.7	G69 P115	G69-S117 WeakPolarHBondContact O-CB 3.33Å; G69-S117 PolarHBondContact O-N 2.9Å; G69-S117 PolarHBondContact O-OG 3.21Å; G69-S117 VanDerWaalsContact O-OG 3.09Å; P115-S117 PolarHBondContact O-N 3.19Å
118	A	93.7	Very high	95.8	Very high	68 Å²	68	30.2 Å²	30.2	56%	0.562	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-95.1	-1.2	-173.2	0	0	0	0	0	113.9	P115 R116	P115-A118 HydrophobicContact CB-CB 4.15Å; P115-A118 HydrophobicContact CG-CB 4.41Å; P115-A118 PolarHBondContact O-N 3.43Å; R116-A118 VanDerWaalsContact C-N 3.3Å; R116-A118 PolarHBondContact O-N 2.89Å
119	T	93.1	Very high	95.7	Very high	25 Å²	25	30.8 Å²	30.8	15%	0.153	17%	0.166	C	C	.	.			trans	-139.3	139.2	-179.3	-172.8	0	0	0	0	112	I73 V75 R116 R121 I157	I73-T119 HydrophobicContact CD1-CG2 3.68Å; I73-T119 HydrophobicContact CG1-CG2 4.07Å; V75-T119 HydrophobicContact CG1-CG2 3.75Å; R116-T119 PolarHBondContact NH1-O 2.83Å; T119-R121 PolarHBondContact OG1-N 3.01Å; T119-R121 PolarHBondContact OG1-O 2.82Å; T119-I157 HydrophobicContact CG2-CD1 4.33Å
120	S	92.8	Very high	95.6	Very high	66 Å²	66	32.4 Å²	32.4	46%	0.462	18%	0.178	S	C	.	.	S	Bend	trans	-91.9	-3.4	173	58.3	0	0	0	0	112.9	E156 I157	S120-E156 CarbonylContact O-C 3.58Å; S120-E156 WeakPolarHBondContact O-CA 3.16Å; S120-I157 VanDerWaalsContact C-CG1 3.45Å; S120-I157 WeakPolarHBondContact O-CG1 3.39Å; S120-I157 PolarHBondContact O-N 2.73Å
121	R	93.2	Very high	95.3	Very high	113 Å²	113	39.5 Å²	39.5	43%	0.426	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	138.5	-177.4	-176.7	175.4	159.3	104.9	-8.4	110.9	T119 H154 T155	T119-R121 PolarHBondContact OG1-N 3.01Å; T119-R121 PolarHBondContact OG1-O 2.82Å; R121-H154 HydrophobicContact CG-CB 4.38Å; R121-T155 WeakPolarHBondContact CA-O 3.5Å
122	A	95.6	Very high	94.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	165.8	178.8	0	0	0	0	0	111.7	V12 I73 H154 T155 I157	V12-A122 HydrophobicContact CG1-CB 4.42Å; I73-A122 HydrophobicContact CD1-CB 3.64Å; I73-A122 HydrophobicContact CG1-CB 4.28Å; A122-H154 CarbonylContact O-C 3.59Å; A122-H154 WeakPolarHBondContact O-CA 3.21Å; A122-T155 PolarHBondContact N-O 2.85Å; A122-T155 VanDerWaalsContact N-O 3.12Å; A122-T155 PolarHBondContact O-N 3.23Å; A122-I157 HydrophobicContact CB-CD1 3.8Å; A122-I157 HydrophobicContact CB-CG2 4.49Å
123	I	95.9	Very high	94.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	122.4	168.4	-62.7	178.3	0	0	0	108.1	I13 L74 L77 I126 C152 K153 H154	I13-I123 HydrophobicContact CD1-CG2 4.01Å; I13-I123 PolarHBondContact N-O 2.93Å; L74-I123 HydrophobicContact CD2-CB 4.09Å; L74-I123 HydrophobicContact CD2-CD1 4.17Å; L74-I123 HydrophobicContact CD2-CG2 4.15Å; L74-I123 HydrophobicContact CG-CB 4.19Å; L74-I123 HydrophobicContact CG-CD1 4.12Å; L74-I123 PolarHBondContact O-N 2.86Å; L77-I123 HydrophobicContact CB-CD1 4.16Å; L77-I123 HydrophobicContact CD1-CD1 4.22Å; L77-I123 HydrophobicContact CG-CD1 3.94Å; I123-I126 HydrophobicContact CG2-CG1 4Å; I123-C152 HydrophobicContact CD1-CB 4.05Å; I123-C152 HydrophobicContact CG1-CB 4.4Å; I123-C152 HydrophobicContact CG2-CB 3.81Å; I123-K153 WeakPolarHBondContact CA-O 3.38Å; I123-H154 WeakPolarHBondContact CG1-NE2 3.36Å
124	T	95.3	Very high	92.7	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-22.8	-177.9	54.2	0	0	0	0	112.4	C11 K153 T155	C11-T124 WeakPolarHBondContact O-CB 3.48Å; C11-T124 WeakPolarHBondContact O-CG2 3.43Å; T124-K153 PolarHBondContact N-O 2.74Å; T124-K153 PolarHBondContact OG1-O 3.49Å; T124-T155 VanDerWaalsContact CG2-CB 3.47Å; T124-T155 HydrophobicContact CG2-CG2 4.48Å; T124-T155 WeakPolarHBondContact CG2-OG1 3.29Å; T124-T155 PolarHBondContact OG1-OG1 2.99Å
125	R	94.1	Very high	90.8	Very high	86 Å²	86	51.9 Å²	51.9	33%	0.325	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143.6	178.7	-166.8	152.2	178.4	-167.3	5.7	111.7	D8 Y139 C152 K153	D8-R125 VanDerWaalsContact OD2-CD 3.29Å; D8-R125 WeakPolarHBondContact OD2-CD 3.41Å; D8-R125 IonicContact OD2-CZ 2.6Å; D8-R125 IonicContact OD2-NE 2.6Å; D8-R125 IonicContact OD2-NH1 3.6Å; D8-R125 PolarHBondContact OD2-NH1 3.06Å; R125-Y139 WeakPolarHBondContact CD-OH 3.32Å; R125-Y139 WeakPolarHBondContact CG-OH 3.26Å; R125-C152 CarbonylContact O-C 3.47Å; R125-C152 VanDerWaalsContact O-CA 3.26Å; R125-C152 WeakPolarHBondContact O-CA 3.42Å; R125-K153 HydrophobicContact CB-CB 3.98Å; R125-K153 PolarHBondContact O-N 2.81Å
126	I	96.1	Very high	89.4	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.9	169.9	-57.6	161.6	0	0	0	107.2	I13 V16 L32 L57 Y59 L74 L77 I123 I150 Y151 C152	I13-I126 HydrophobicContact CD1-CB 4.47Å; I13-I126 HydrophobicContact CD1-CD1 3.55Å; I13-I126 HydrophobicContact CD1-CG1 3.58Å; V16-I126 HydrophobicContact CG2-CD1 3.91Å; L32-I126 HydrophobicContact CD1-CB 4.3Å; L32-I126 HydrophobicContact CD1-CG2 4.06Å; L57-I126 HydrophobicContact CD2-CG2 3.56Å; Y59-I126 HydrophobicContact CD1-CB 4.04Å; Y59-I126 HydrophobicContact CD1-CD1 3.99Å; Y59-I126 HydrophobicContact CD1-CG1 4.43Å; Y59-I126 HydrophobicContact CE1-CB 4.03Å; Y59-I126 HydrophobicContact CG-CD1 4.36Å; L74-I126 HydrophobicContact CD2-CD1 3.92Å; L77-I126 HydrophobicContact CD1-CD1 3.58Å; L77-I126 HydrophobicContact CD1-CG1 3.9Å; I123-I126 HydrophobicContact CG2-CG1 4Å; I126-I150 HydrophobicContact CG2-CG2 4.02Å; I126-Y151 WeakPolarHBondContact CA-O 3.45Å; I126-C152 HydrophobicContact CG1-CB 4.49Å
127	G	95	Very high	88.5	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.3	177	0	0	0	0	0	111.4	Y151	G127-Y151 PolarHBondContact N-O 2.97Å; G127-Y151 PolarHBondContact O-N 2.99Å
128	V	96.6	Very high	87.9	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.4	173.7	-175.1	0	0	0	0	107.8	L32 T35 S36 A42 L44 L57 V148 I149	L32-V128 HydrophobicContact CB-CG2 4.22Å; L32-V128 HydrophobicContact CD1-CG2 4.11Å; T35-V128 CarbonylContact C-O 3.54Å; T35-V128 WeakPolarHBondContact CA-O 3.37Å; T35-V128 HydrophobicContact CG2-CG1 4.38Å; S36-V128 PolarHBondContact N-O 3.21Å; A42-V128 HydrophobicContact CB-CB 4.15Å; A42-V128 HydrophobicContact CB-CG1 3.89Å; L44-V128 HydrophobicContact CD2-CG1 4.36Å; L57-V128 HydrophobicContact CD2-CG2 4.46Å; V128-V148 HydrophobicContact CG1-CB 3.63Å; V128-V148 HydrophobicContact CG1-CG1 4.29Å; V128-V148 HydrophobicContact CG1-CG2 3.55Å; V128-I149 CarbonylContact C-O 3.51Å; V128-I149 WeakPolarHBondContact CA-O 3.34Å
129	Y	95.9	Very high	87.7	Confident	18 Å²	18	55.1 Å²	55.1	7%	0.071	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.5	-172.4	-68	-98.8	0	0	0	110.8	D37 V148 I149 Y151	D37-Y129 HydrophobicContact CB-CD1 3.89Å; D37-Y129 HydrophobicContact CB-CE1 4.44Å; D37-Y129 WeakPolarHBondContact OD1-CA 3.26Å; Y129-V148 CarbonylContact O-C 3.48Å; Y129-V148 WeakPolarHBondContact O-CA 3.5Å; Y129-I149 PolarHBondContact N-O 2.84Å; Y129-I149 PolarHBondContact O-N 3.09Å; Y129-Y151 AromaticContact CD2-CD2 3.54Å; Y129-Y151 HydrophobicContact CD2-CD2 3.54Å; Y129-Y151 HydrophobicContact CD2-CE2 4.31Å; Y129-Y151 HydrophobicContact CD2-CG 4.27Å; Y129-Y151 HydrophobicContact CE2-CD2 4.11Å; Y129-Y151 HydrophobicContact CE2-CG 4.41Å; Y129-Y151 HydrophobicContact CG-CD2 4.16Å; Y129-Y151 HydrophobicContact CG-CE2 4.5Å
130	S	94.9	Very high	87.8	Confident	35 Å²	35	57.1 Å²	57.1	25%	0.245	31%	0.314	C	S	.	.	S	Bend	trans	-77.1	-26.4	176.1	-58.4	0	0	0	0	112.2	T35 D37 S38	T35-S130 WeakPolarHBondContact CB-OG 3.15Å; T35-S130 VanDerWaalsContact CG2-OG 3.31Å; T35-S130 WeakPolarHBondContact CG2-OG 3.36Å; T35-S130 PolarHBondContact OG1-OG 3.17Å; D37-S130 PolarHBondContact OD1-N 3.33Å; S38-S130 PolarHBondContact OG-OG 2.89Å
131	R	92.8	Very high	87.9	Confident	148 Å²	148	59.9 Å²	59.9	56%	0.558	32%	0.315	S	S	*	.	S	Bend	trans	-127.6	153	-177.6	-68.7	168.7	-67	-160.1	-1.1	111.3	D37 R133	D37-R131 IonicContact OD2-CZ 3.32Å; D37-R131 IonicContact OD2-NE 3.55Å; D37-R131 PolarHBondContact OD2-NE 3.31Å; D37-R131 VanDerWaalsContact OD2-NE 3.08Å; D37-R131 IonicContact OD2-NH2 3.08Å; D37-R131 PolarHBondContact OD2-NH2 2.81Å; D37-R131 VanDerWaalsContact OD2-NH2 3.1Å; R131-R133 PolarHBondContact O-N 2.82Å
132	P	90.8	Very high	88	Confident	91 Å²	91	55.7 Å²	55.7	59%	0.591	30%	0.3	S	S	*	.			trans	-53.8	126.5	172	-24.5	33.6	0	0	0	110.3	T134 I149	P132-T134 PolarHBondContact O-N 2.89Å; P132-T134 VanDerWaalsContact O-N 3.15Å; P132-I149 HydrophobicContact CB-CD1 4.1Å; P132-I149 HydrophobicContact CG-CD1 3.69Å
133	R	82.6	Confident	88	Confident	67 Å²	67	56 Å²	56	25%	0.253	30%	0.304	S	S	.	.			trans	-73.3	110.2	179.4	-161.6	173	-173.6	-147.5	4.6	109.3	R131 T135 T136 Y151	R131-R133 PolarHBondContact O-N 2.82Å; R133-T135 PolarHBondContact O-N 2.86Å; R133-T136 PolarHBondContact NE-OG1 2.81Å; R133-T136 VanDerWaalsContact NE-OG1 3.12Å; R133-T136 VanDerWaalsContact NH1-CB 3.25Å; R133-T136 VanDerWaalsContact NH2-CB 3.33Å; R133-T136 VanDerWaalsContact NH2-CG2 3.31Å; R133-T136 PolarHBondContact NH2-OG1 3.04Å; R133-Y151 HydrophobicContact CB-CD1 4.42Å; R133-Y151 HydrophobicContact CB-CD2 4.39Å; R133-Y151 HydrophobicContact CB-CE1 3.89Å; R133-Y151 HydrophobicContact CB-CE2 3.85Å; R133-Y151 PolarHBondContact N-OH 3.38Å
134	T	68.4	Low	88	Confident	119 Å²	119	59.5 Å²	59.5	73%	0.73	32%	0.323	S	S	*	.			trans	-74.8	104.5	171.6	50.8	0	0	0	0	107.9	P132	P132-T134 PolarHBondContact O-N 2.89Å; P132-T134 VanDerWaalsContact O-N 3.15Å
135	T	56.6	Low	88	Confident	135 Å²	135	60 Å²	60	83%	0.828	33%	0.325	S	S	*	.			trans	57.9	62	156.2	60.9	0	0	0	0	117.6	R133	R133-T135 PolarHBondContact O-N 2.86Å
136	T	65.5	Low	88	Confident	56 Å²	56	58.5 Å²	58.5	34%	0.344	32%	0.324	S	S	.	.			trans	-105.4	125.6	156.8	-51.4	0	0	0	0	110.7	R133 G138 Y139	R133-T136 PolarHBondContact NE-OG1 2.81Å; R133-T136 VanDerWaalsContact NE-OG1 3.12Å; R133-T136 VanDerWaalsContact NH1-CB 3.25Å; R133-T136 VanDerWaalsContact NH2-CB 3.33Å; R133-T136 VanDerWaalsContact NH2-CG2 3.31Å; R133-T136 PolarHBondContact NH2-OG1 3.04Å; T136-G138 PolarHBondContact O-N 3.47Å; T136-Y139 HydrophobicContact CG2-CD2 4.47Å; T136-Y139 PolarHBondContact O-N 2.86Å
137	P	75.6	Confident	87.8	Confident	115 Å²	115	63.9 Å²	63.9	75%	0.747	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	135.6	177.1	-27.1	34.6	0	0	0	112.6	Y139	P137-Y139 PolarHBondContact O-N 3.5Å
138	G	81.5	Confident	87.8	Confident	41 Å²	41	64.3 Å²	64.3	42%	0.423	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-11.9	171.5	0	0	0	0	0	116.3	T136 K153 H154	T136-G138 PolarHBondContact O-N 3.47Å; G138-K153 WeakPolarHBondContact O-CA 3.33Å; G138-H154 PolarHBondContact O-N 3.34Å
139	Y	90.6	Very high	87.8	Confident	32 Å²	32	64.7 Å²	64.7	13%	0.125	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	128.7	173.2	-79.2	-107.4	0	0	0	112	R125 T136 P137 C152 K153	R125-Y139 WeakPolarHBondContact CD-OH 3.32Å; R125-Y139 WeakPolarHBondContact CG-OH 3.26Å; T136-Y139 HydrophobicContact CG2-CD2 4.47Å; T136-Y139 PolarHBondContact O-N 2.86Å; P137-Y139 PolarHBondContact O-N 3.5Å; Y139-C152 CarbonylContact C-O 3.58Å; Y139-C152 VanDerWaalsContact CA-O 3.25Å; Y139-C152 WeakPolarHBondContact CA-O 3.44Å; Y139-K153 HydrophobicContact CD1-CB 4.07Å; Y139-K153 HydrophobicContact CD2-CB 3.83Å; Y139-K153 HydrophobicContact CD2-CD 4.2Å; Y139-K153 HydrophobicContact CD2-CG 3.8Å; Y139-K153 HydrophobicContact CE1-CB 3.91Å; Y139-K153 HydrophobicContact CE2-CB 3.69Å; Y139-K153 HydrophobicContact CE2-CD 3.67Å; Y139-K153 HydrophobicContact CE2-CG 3.74Å; Y139-K153 HydrophobicContact CG-CB 4.07Å; Y139-K153 HydrophobicContact CG-CG 4.45Å
140	T	93.3	Very high	87.9	Confident	67 Å²	67	63.9 Å²	63.9	41%	0.411	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.6	176.2	-52.6	0	0	0	0	109.1	Y151 C152	T140-Y151 CarbonylContact O-C 3.6Å; T140-Y151 VanDerWaalsContact O-CA 3.29Å; T140-Y151 WeakPolarHBondContact O-CA 3.38Å; T140-C152 PolarHBondContact N-O 2.96Å; T140-C152 PolarHBondContact O-N 2.71Å
141	R	95.2	Very high	87.9	Confident	124 Å²	124	63 Å²	63	47%	0.468	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	128	175.7	-174.9	174.8	175.8	-96.4	28.2	109.9	D144 I149 Y151	R141-D144 IonicContact CZ-OD1 3.34Å; R141-D144 VanDerWaalsContact CZ-OD1 3.29Å; R141-D144 IonicContact CZ-OD2 3.24Å; R141-D144 IonicContact NE-OD1 2.86Å; R141-D144 PolarHBondContact NE-OD1 2.88Å; R141-D144 IonicContact NH1-OD2 2.64Å; R141-D144 IonicContact NH2-OD1 2.71Å; R141-D144 PolarHBondContact NH2-OD1 3.14Å; R141-D144 IonicContact NH2-OD2 3.38Å; R141-D144 PolarHBondContact NH2-OD2 2.66Å; R141-I149 HydrophobicContact CG-CG2 3.83Å; R141-Y151 HydrophobicContact CB-CD1 3.97Å; R141-Y151 HydrophobicContact CB-CE1 3.59Å; R141-Y151 HydrophobicContact CG-CE1 4.11Å
142	I	96.3	Very high	88.1	Confident	25 Å²	25	56 Å²	56	13%	0.128	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-41.5	176.1	-58.5	-50.2	0	0	0	111.1	L77 L79 L109 I150 C152	L77-I142 HydrophobicContact CB-CD1 4.01Å; L77-I142 HydrophobicContact CB-CG1 4.23Å; L77-I142 HydrophobicContact CB-CG2 4.31Å; L77-I142 WeakPolarHBondContact O-CD1 3.43Å; L79-I142 HydrophobicContact CB-CG2 4.08Å; L109-I142 HydrophobicContact CD1-CG2 4.21Å; I142-I150 HydrophobicContact CB-CB 4.16Å; I142-I150 HydrophobicContact CB-CG2 3.99Å; I142-I150 HydrophobicContact CG1-CG2 4.1Å; I142-I150 HydrophobicContact CG2-CG2 4.48Å; I142-I150 PolarHBondContact N-O 3.03Å; I142-C152 HydrophobicContact CD1-CB 4.23Å; I142-C152 WeakPolarHBondContact CD1-SG 3.31Å; I142-C152 HydrophobicContact CG1-CB 4.22Å
143	G	95.9	Very high	88.3	Confident	8 Å²	8	52.7 Å²	52.7	8%	0.082	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.6	172.2	178.9	0	0	0	0	0	112.4	I150	G143-I150 PolarHBondContact O-N 3.44Å
144	D	95.4	Very high	88.8	Confident	72 Å²	72	50.6 Å²	50.6	39%	0.385	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	146.1	174	-31.6	-81.2	0	0	0	111.1	L79 R141 V148 I149	L79-D144 WeakPolarHBondContact CD2-O 3.39Å; R141-D144 IonicContact CZ-OD1 3.34Å; R141-D144 VanDerWaalsContact CZ-OD1 3.29Å; R141-D144 IonicContact CZ-OD2 3.24Å; R141-D144 IonicContact NE-OD1 2.86Å; R141-D144 PolarHBondContact NE-OD1 2.88Å; R141-D144 IonicContact NH1-OD2 2.64Å; R141-D144 IonicContact NH2-OD1 2.71Å; R141-D144 PolarHBondContact NH2-OD1 3.14Å; R141-D144 IonicContact NH2-OD2 3.38Å; R141-D144 PolarHBondContact NH2-OD2 2.66Å; D144-V148 CarbonylContact C-O 3.56Å; D144-V148 VanDerWaalsContact CA-O 3.32Å; D144-V148 WeakPolarHBondContact CA-O 3.48Å; D144-I149 WeakPolarHBondContact OD1-CG1 3.17Å
145	I	95.3	Very high	89.9	Confident	17 Å²	17	46 Å²	46	9%	0.087	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	132.4	173.2	-172	161.5	0	0	0	109.4	L44 L79 L104 K107 S147 V148 I150	L44-I145 HydrophobicContact CB-CG2 4.36Å; L44-I145 HydrophobicContact CD2-CG2 3.71Å; L44-I145 HydrophobicContact CG-CG2 4.48Å; L79-I145 HydrophobicContact CD2-CB 4.28Å; L104-I145 HydrophobicContact CB-CD1 4.15Å; L104-I145 HydrophobicContact CD1-CD1 3.52Å; L104-I145 HydrophobicContact CD2-CD1 3.4Å; L104-I145 HydrophobicContact CG-CD1 3.86Å; K107-I145 HydrophobicContact CB-CD1 3.96Å; K107-I145 HydrophobicContact CG-CD1 4.22Å; I145-S147 VanDerWaalsContact C-N 3.27Å; I145-S147 PolarHBondContact O-N 2.94Å; I145-V148 HydrophobicContact CG2-CG2 4.38Å; I145-V148 PolarHBondContact N-O 3.14Å; I145-V148 WeakPolarHBondContact O-CG2 3.49Å; I145-V148 PolarHBondContact O-N 3.05Å; I145-V148 VanDerWaalsContact O-O 3.07Å; I145-I150 HydrophobicContact CG2-CD1 4.03Å; I145-I150 HydrophobicContact CG2-CG1 4.43Å
146	N	93.4	Very high	91.6	Very high	55 Å²	55	47.3 Å²	47.3	29%	0.294	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	45.8	179	-163.8	44.1	0	0	0	114.3	C43 W45 P46 V148	C43-N146 PolarHBondContact O-ND2 2.93Å; W45-N146 PolarHBondContact O-ND2 3.33Å; W45-N146 VanDerWaalsContact O-ND2 3.07Å; P46-N146 WeakPolarHBondContact CA-OD1 3.2Å; N146-V148 PolarHBondContact O-N 2.96Å; N146-V148 VanDerWaalsContact O-N 3.13Å
147	S	92.6	Very high	92.8	Very high	115 Å²	115	45.7 Å²	45.7	80%	0.804	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	10.5	-179.5	-50.1	0	0	0	0	116	I145	I145-S147 VanDerWaalsContact C-N 3.27Å; I145-S147 PolarHBondContact O-N 2.94Å
148	V	95.3	Very high	93.2	Very high	10 Å²	10	42 Å²	42	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	161.1	168.1	-61.8	0	0	0	0	110.8	T35 L44 V128 Y129 D144 I145 N146	T35-V148 HydrophobicContact CG2-CG1 3.98Å; L44-V148 HydrophobicContact CD2-CG2 3.48Å; L44-V148 VanDerWaalsContact CD2-CG2 3.48Å; V128-V148 HydrophobicContact CG1-CB 3.63Å; V128-V148 HydrophobicContact CG1-CG1 4.29Å; V128-V148 HydrophobicContact CG1-CG2 3.55Å; Y129-V148 CarbonylContact O-C 3.48Å; Y129-V148 WeakPolarHBondContact O-CA 3.5Å; D144-V148 CarbonylContact C-O 3.56Å; D144-V148 VanDerWaalsContact CA-O 3.32Å; D144-V148 WeakPolarHBondContact CA-O 3.48Å; I145-V148 HydrophobicContact CG2-CG2 4.38Å; I145-V148 PolarHBondContact N-O 3.14Å; I145-V148 WeakPolarHBondContact O-CG2 3.49Å; I145-V148 PolarHBondContact O-N 3.05Å; I145-V148 VanDerWaalsContact O-O 3.07Å; N146-V148 PolarHBondContact O-N 2.96Å; N146-V148 VanDerWaalsContact O-N 3.13Å
149	I	96.3	Very high	93	Very high	9 Å²	9	44.9 Å²	44.9	5%	0.046	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.2	-172.5	-45	179.8	0	0	0	109.2	V128 Y129 P132 R141 D144 Y151	V128-I149 CarbonylContact C-O 3.51Å; V128-I149 WeakPolarHBondContact CA-O 3.34Å; Y129-I149 PolarHBondContact N-O 2.84Å; Y129-I149 PolarHBondContact O-N 3.09Å; P132-I149 HydrophobicContact CB-CD1 4.1Å; P132-I149 HydrophobicContact CG-CD1 3.69Å; R141-I149 HydrophobicContact CG-CG2 3.83Å; D144-I149 WeakPolarHBondContact OD1-CG1 3.17Å; I149-Y151 HydrophobicContact CB-CD2 4.33Å; I149-Y151 HydrophobicContact CB-CE2 3.81Å; I149-Y151 HydrophobicContact CG2-CD2 3.91Å; I149-Y151 HydrophobicContact CG2-CE2 3.33Å
150	I	97.1	Very high	92.2	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129	176.8	-58.1	172.6	0	0	0	108.7	L57 I126 I142 G143 I145	L57-I150 HydrophobicContact CD2-CD1 4.33Å; L57-I150 HydrophobicContact CD2-CG2 4.21Å; I126-I150 HydrophobicContact CG2-CG2 4.02Å; I142-I150 HydrophobicContact CB-CB 4.16Å; I142-I150 HydrophobicContact CB-CG2 3.99Å; I142-I150 HydrophobicContact CG1-CG2 4.1Å; I142-I150 HydrophobicContact CG2-CG2 4.48Å; I142-I150 PolarHBondContact N-O 3.03Å; G143-I150 PolarHBondContact O-N 3.44Å; I145-I150 HydrophobicContact CG2-CD1 4.03Å; I145-I150 HydrophobicContact CG2-CG1 4.43Å
151	Y	96.5	Very high	90.5	Very high	16 Å²	16	50.8 Å²	50.8	6%	0.063	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	151.8	170.9	-71.7	-97.9	0	0	0	110.4	I126 G127 Y129 R133 T140 R141 I149	I126-Y151 WeakPolarHBondContact CA-O 3.45Å; G127-Y151 PolarHBondContact N-O 2.97Å; G127-Y151 PolarHBondContact O-N 2.99Å; Y129-Y151 AromaticContact CD2-CD2 3.54Å; Y129-Y151 HydrophobicContact CD2-CD2 3.54Å; Y129-Y151 HydrophobicContact CD2-CE2 4.31Å; Y129-Y151 HydrophobicContact CD2-CG 4.27Å; Y129-Y151 HydrophobicContact CE2-CD2 4.11Å; Y129-Y151 HydrophobicContact CE2-CG 4.41Å; Y129-Y151 HydrophobicContact CG-CD2 4.16Å; Y129-Y151 HydrophobicContact CG-CE2 4.5Å; R133-Y151 HydrophobicContact CB-CD1 4.42Å; R133-Y151 HydrophobicContact CB-CD2 4.39Å; R133-Y151 HydrophobicContact CB-CE1 3.89Å; R133-Y151 HydrophobicContact CB-CE2 3.85Å; R133-Y151 PolarHBondContact N-OH 3.38Å; T140-Y151 CarbonylContact O-C 3.6Å; T140-Y151 VanDerWaalsContact O-CA 3.29Å; T140-Y151 WeakPolarHBondContact O-CA 3.38Å; R141-Y151 HydrophobicContact CB-CD1 3.97Å; R141-Y151 HydrophobicContact CB-CE1 3.59Å; R141-Y151 HydrophobicContact CG-CE1 4.11Å; I149-Y151 HydrophobicContact CB-CD2 4.33Å; I149-Y151 HydrophobicContact CB-CE2 3.81Å; I149-Y151 HydrophobicContact CG2-CD2 3.91Å; I149-Y151 HydrophobicContact CG2-CE2 3.33Å
152	C	95.6	Very high	88.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.5	171.4	70.1	0	0	0	0	111.3	I123 R125 I126 Y139 T140 I142 H154	I123-C152 HydrophobicContact CD1-CB 4.05Å; I123-C152 HydrophobicContact CG1-CB 4.4Å; I123-C152 HydrophobicContact CG2-CB 3.81Å; R125-C152 CarbonylContact O-C 3.47Å; R125-C152 VanDerWaalsContact O-CA 3.26Å; R125-C152 WeakPolarHBondContact O-CA 3.42Å; I126-C152 HydrophobicContact CG1-CB 4.49Å; Y139-C152 CarbonylContact C-O 3.58Å; Y139-C152 VanDerWaalsContact CA-O 3.25Å; Y139-C152 WeakPolarHBondContact CA-O 3.44Å; T140-C152 PolarHBondContact N-O 2.96Å; T140-C152 PolarHBondContact O-N 2.71Å; I142-C152 HydrophobicContact CD1-CB 4.23Å; I142-C152 WeakPolarHBondContact CD1-SG 3.31Å; I142-C152 HydrophobicContact CG1-CB 4.22Å; C152-H154 PolarHBondContact SG-CE1 2.9Å
153	K	94.4	Very high	86	Confident	23 Å²	23	56.4 Å²	56.4	10%	0.1	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.7	171.2	-165.2	-173.3	-178.6	-171	0	109.5	D6 I123 T124 R125 G138 Y139	D6-K153 IonicContact OD2-NZ 2.71Å; D6-K153 PolarHBondContact OD2-NZ 2.86Å; I123-K153 WeakPolarHBondContact CA-O 3.38Å; T124-K153 PolarHBondContact N-O 2.74Å; T124-K153 PolarHBondContact OG1-O 3.49Å; R125-K153 HydrophobicContact CB-CB 3.98Å; R125-K153 PolarHBondContact O-N 2.81Å; G138-K153 WeakPolarHBondContact O-CA 3.33Å; Y139-K153 HydrophobicContact CD1-CB 4.07Å; Y139-K153 HydrophobicContact CD2-CB 3.83Å; Y139-K153 HydrophobicContact CD2-CD 4.2Å; Y139-K153 HydrophobicContact CD2-CG 3.8Å; Y139-K153 HydrophobicContact CE1-CB 3.91Å; Y139-K153 HydrophobicContact CE2-CB 3.69Å; Y139-K153 HydrophobicContact CE2-CD 3.67Å; Y139-K153 HydrophobicContact CE2-CG 3.74Å; Y139-K153 HydrophobicContact CG-CB 4.07Å; Y139-K153 HydrophobicContact CG-CG 4.45Å
154	H	93.1	Very high	83.3	Confident	22 Å²	22	66.8 Å²	66.8	10%	0.102	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.9	170	-65.9	88	0	0	0	109.9	R121 A122 I123 G138 C152	R121-H154 HydrophobicContact CG-CB 4.38Å; A122-H154 CarbonylContact O-C 3.59Å; A122-H154 WeakPolarHBondContact O-CA 3.21Å; I123-H154 WeakPolarHBondContact CG1-NE2 3.36Å; G138-H154 PolarHBondContact O-N 3.34Å; C152-H154 PolarHBondContact SG-CE1 2.9Å
155	T	92.7	Very high	80.3	Confident	22 Å²	22	68.2 Å²	68.2	14%	0.135	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144	178.4	-49.1	0	0	0	0	109.8	R121 A122 T124	R121-T155 WeakPolarHBondContact CA-O 3.5Å; A122-T155 PolarHBondContact N-O 2.85Å; A122-T155 VanDerWaalsContact N-O 3.12Å; A122-T155 PolarHBondContact O-N 3.23Å; T124-T155 VanDerWaalsContact CG2-CB 3.47Å; T124-T155 HydrophobicContact CG2-CG2 4.48Å; T124-T155 WeakPolarHBondContact CG2-OG1 3.29Å; T124-T155 PolarHBondContact OG1-OG1 2.99Å
156	E	91.8	Very high	77.7	Confident	163 Å²	163	72.8 Å²	72.8	76%	0.762	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.3	165.4	-70.3	-179.4	-173.4	0	0	109.1	S120	S120-E156 CarbonylContact O-C 3.58Å; S120-E156 WeakPolarHBondContact O-CA 3.16Å
157	I	90.5	Very high	75.4	Confident	22 Å²	22	75.5 Å²	75.5	11%	0.113	43%	0.426	C	S	.	.			trans	-109.2	-3.4	-174.5	54.8	169.7	0	0	0	112.9	V12 I64 I73 R116 T119 S120 A122	V12-I157 HydrophobicContact CG1-CD1 4.39Å; V12-I157 HydrophobicContact CG1-CG2 4.07Å; I64-I157 HydrophobicContact CD1-CB 3.3Å; I64-I157 HydrophobicContact CD1-CD1 4.3Å; I64-I157 HydrophobicContact CD1-CG1 4.37Å; I64-I157 HydrophobicContact CD1-CG2 3.27Å; I73-I157 HydrophobicContact CD1-CD1 3.42Å; I73-I157 VanDerWaalsContact CD1-CD1 3.42Å; R116-I157 VanDerWaalsContact NH1-CD1 3.33Å; R116-I157 PolarHBondContact NH2-O 2.81Å; T119-I157 HydrophobicContact CG2-CD1 4.33Å; S120-I157 VanDerWaalsContact C-CG1 3.45Å; S120-I157 WeakPolarHBondContact O-CG1 3.39Å; S120-I157 PolarHBondContact O-N 2.73Å; A122-I157 HydrophobicContact CB-CD1 3.8Å; A122-I157 HydrophobicContact CB-CG2 4.49Å
158	G	84.1	Confident	73.2	Confident	39 Å²	39	78.5 Å²	78.5	40%	0.402	43%	0.428	S	S	.	.			trans	66.5	163.5	-168.8	0	0	0	0	0	112.1	R116	R116-G158 PolarHBondContact NH1-O 2.95Å; R116-G158 PolarHBondContact NH2-O 3.36Å
159	L	78.1	Confident	71	Confident	100 Å²	100	84.3 Å²	84.3	52%	0.524	46%	0.463	S	S	.	.			trans	-82	146.3	168.7	-66.6	173.1	0	0	0	108.8	N161	L159-N161 VanDerWaalsContact C-N 3.28Å; L159-N161 PolarHBondContact O-N 3.25Å
160	L	72.8	Confident	68.7	Low	86 Å²	86	92.7 Å²	92.7	45%	0.45	50%	0.499	S	S	.	.			trans	-66.5	97.4	169.6	-168.6	73.3	0	0	0	106.1	S162	L160-S162 PolarHBondContact O-N 2.95Å
161	N	58	Low	66.9	Low	137 Å²	137	97.5 Å²	97.5	73%	0.733	53%	0.531	S	S	*	.			trans	-57.2	112.2	174.6	-72.5	-15.6	0	0	0	106.2	L159 D163	L159-N161 VanDerWaalsContact C-N 3.28Å; L159-N161 PolarHBondContact O-N 3.25Å; N161-D163 PolarHBondContact O-N 3.22Å; N161-D163 VanDerWaalsContact O-N 3.09Å
162	S	50.5	Low	65.3	Low	116 Å²	116	102 Å²	102	81%	0.811	56%	0.562	S	S	*	*			trans	-52.7	121.7	160.7	-71.8	0	0	0	0	105.6	L160 R164	L160-S162 PolarHBondContact O-N 2.95Å; S162-R164 PolarHBondContact O-N 2.73Å
163	D	46	Very low	63.6	Low	151 Å²	151	107.6 Å²	107.6	81%	0.807	60%	0.598	S	S	*	*	S	Bend	trans	-41.4	120.4	-177.8	-84	-55.7	0	0	0	110.8	N161 S165	N161-D163 PolarHBondContact O-N 3.22Å; N161-D163 VanDerWaalsContact O-N 3.09Å; D163-S165 PolarHBondContact O-N 3.12Å
164	R	39.8	Very low	61.9	Low	226 Å²	226	112.1 Å²	112.1	85%	0.853	63%	0.633	S	S	*	*				50.9	74.5	129.7	-156.2	175.8	-172.7	-172.3	0.3	114.5	S162	S162-R164 PolarHBondContact O-N 2.73Å
165	S	33.2	Very low	60.3	Low	103 Å²	103	118.6 Å²	118.6	72%	0.72	67%	0.666	S	S	*	*			trans	-139.6	75.4	145	-76.3	0	0	0	0	107.8	D163 V167	D163-S165 PolarHBondContact O-N 3.12Å; S165-V167 PolarHBondContact O-N 2.92Å
166	S	39.6	Very low	58.9	Low	113 Å²	113	122.3 Å²	122.3	79%	0.79	69%	0.691	S	S	*	*			trans	-66.7	68.9	146.8	62.2	0	0	0	0	107.2	Q168	S166-Q168 VanDerWaalsContact C-N 3.27Å; S166-Q168 PolarHBondContact O-N 3.36Å
167	V	45.9	Very low	57.3	Low	111 Å²	111	120.7 Å²	120.7	67%	0.673	69%	0.694	S	S	*	*			trans	-60.7	111	149.5	-170.4	0	0	0	0	102	S165 V169	S165-V167 PolarHBondContact O-N 2.92Å; V167-V169 VanDerWaalsContact C-N 3.29Å; V167-V169 PolarHBondContact O-N 3.2Å
168	Q	45.2	Very low	55.7	Low	178 Å²	178	129.7 Å²	129.7	83%	0.832	73%	0.727	S	S	*	*			trans	-49	107.4	166.5	-73.1	-167.2	-34.7	0	0	105.6	S166 K170	S166-Q168 VanDerWaalsContact C-N 3.27Å; S166-Q168 PolarHBondContact O-N 3.36Å; Q168-K170 PolarHBondContact O-N 2.79Å
169	V	49.1	Very low	54.3	Low	133 Å²	133	132.8 Å²	132.8	81%	0.806	74%	0.74	S	S	*	*			trans	-66.3	89.6	164.8	179.2	0	0	0	0	103.4	V167	V167-V169 VanDerWaalsContact C-N 3.29Å; V167-V169 PolarHBondContact O-N 3.2Å
170	K	49.2	Very low	52.9	Low	184 Å²	184	133.8 Å²	133.8	80%	0.8	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-52.6	125.9	167.1	-164.2	175	-174.4	178.3	0	104.6	Q168	Q168-K170 PolarHBondContact O-N 2.79Å
171	P	58	Low	52	Low	103 Å²	103	135.7 Å²	135.7	67%	0.669	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-53.6	139.9	-179.5	21.8	-31	0	0	0	108
172	P	62.6	Low	51.8	Low	110 Å²	110	134.3 Å²	134.3	71%	0.714	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-53.3	138.5	177.5	21.8	-31.1	0	0	0	108.6	S174	P172-S174 PolarHBondContact O-N 2.93Å
173	P	60.4	Low	51.6	Low	117 Å²	117	136.9 Å²	136.9	76%	0.76	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-56.3	134.2	178.1	23.3	-31.1	0	0	0	108.9	I175	P173-I175 PolarHBondContact O-N 2.88Å
174	S	59.6	Low	51.8	Low	119 Å²	119	134.7 Å²	134.7	83%	0.832	77%	0.765	S	S	*	*			trans	-49.8	113.5	178.3	-27.2	0	0	0	0	109.4	P172	P172-S174 PolarHBondContact O-N 2.93Å
175	I	59.3	Low	52.1	Low	158 Å²	158	130 Å²	130	81%	0.81	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-63.4	125.5	172.7	-58.8	170.6	0	0	0	106.6	P173	P173-I175 PolarHBondContact O-N 2.88Å
176	P	62.5	Low	52.8	Low	100 Å²	100	132.1 Å²	132.1	65%	0.649	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-63.3	150.2	175.5	25.5	-31.4	0	0	0	109.9	R178	P176-R178 PolarHBondContact O-N 2.8Å
177	P	58.8	Low	53.3	Low	128 Å²	128	134 Å²	134	83%	0.831	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-59.8	118.9	-179	2.6	4.1	0	0	0	109.2
178	R	55.8	Low	53.4	Low	211 Å²	211	138.6 Å²	138.6	80%	0.796	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-59.5	132.7	173.3	179.7	-176.8	-107.5	-160	-4.2	108.3	P176 S180	P176-R178 PolarHBondContact O-N 2.8Å; R178-S180 PolarHBondContact O-N 3.39Å
179	P	55	Low	53.7	Low	105 Å²	105	136.1 Å²	136.1	68%	0.682	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-58.9	133.7	171.9	-16.9	28.8	0	0	0	109.7	I181	P179-I181 PolarHBondContact O-N 3.03Å
180	S	49	Very low	53.9	Low	121 Å²	121	135.3 Å²	135.3	85%	0.846	77%	0.766	S	S	*	*			trans	-57	107.9	173.7	39.3	0	0	0	0	110.1	R178	R178-S180 PolarHBondContact O-N 3.39Å
181	I	54.4	Low	54.2	Low	125 Å²	125	134 Å²	134	64%	0.641	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-82.6	127.9	167.4	-59.6	171.9	0	0	0	106.3	P179	P179-I181 PolarHBondContact O-N 3.03Å
182	P	53.3	Low	54	Low	109 Å²	109	133.6 Å²	133.6	71%	0.708	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-66.5	135	178.6	25.9	-31.1	0	0	0	110.9	S184	P182-S184 PolarHBondContact O-N 2.94Å
183	D	46	Very low	53.6	Low	170 Å²	170	135.1 Å²	135.1	91%	0.909	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-53	117.1	178.4	-69.9	-48.4	0	0	0	111.2
184	S	50.6	Low	53.1	Low	105 Å²	105	138.2 Å²	138.2	73%	0.734	77%	0.774	S	S	*	*			trans	-125.3	100.3	165.8	41.5	0	0	0	0	109.1	P182	P182-S184 PolarHBondContact O-N 2.94Å
185	N	47.2	Very low	52.5	Low	126 Å²	126	137.6 Å²	137.6	67%	0.674	77%	0.769	S	S	*	*			trans	50.8	109.5	139.3	-71.7	-17.3	0	0	0	119.6
186	N	47.9	Very low	51.6	Low	148 Å²	148	136.2 Å²	136.2	79%	0.791	77%	0.774	S	S	*	*				74.4	43.7	118.5	-55	-21.2	0	0	0	120.4
187	L	49.4	Very low	50.6	Low	152 Å²	152	136.2 Å²	136.2	80%	0.796	78%	0.776	S	S	*	*	S	Bend	trans	-122.1	4.7	172	-86	134.9	0	0	0	116.6
188	Y	47.5	Very low	49.9	Very low	208 Å²	208	134.8 Å²	134.8	82%	0.816	77%	0.769	S	S	*	*	S	Bend	trans	-133.1	135	174	-71.6	-83.6	0	0	0	111.8	S190	Y188-S190 PolarHBondContact O-N 3.04Å
189	P	53	Low	49.2	Very low	126 Å²	126	131.8 Å²	131.8	82%	0.818	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-69.4	117.2	171.5	24.7	-24.3	0	0	0	109
190	S	53.1	Low	48.4	Very low	116 Å²	116	131.9 Å²	131.9	81%	0.811	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-69.3	131.7	174.7	-38.8	0	0	0	0	110.3	Y188	Y188-S190 PolarHBondContact O-N 3.04Å
191	L	54.5	Low	47.8	Very low	158 Å²	158	131.5 Å²	131.5	83%	0.827	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-67.9	142.8	169	-129.4	74.9	0	0	0	109.7	T193	L191-T193 PolarHBondContact O-N 3.4Å
192	P	54.2	Low	47.2	Very low	94 Å²	94	130.3 Å²	130.3	61%	0.61	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-69.5	121.5	-179.9	7.5	0.9	0	0	0	111	F194	P192-F194 HydrophobicContact CB-CE2 4.11Å; P192-F194 HydrophobicContact CB-CZ 4.38Å; P192-F194 HydrophobicContact CG-CE2 4.22Å; P192-F194 PolarHBondContact O-N 2.99Å
193	T	53.2	Low	46.8	Very low	141 Å²	141	130.6 Å²	130.6	87%	0.865	78%	0.782	S	S	*	*			trans	-79	106.3	167.7	-41.5	0	0	0	0	108.2	L191 S195	L191-T193 PolarHBondContact O-N 3.4Å; T193-S195 PolarHBondContact O-N 3.24Å
194	F	50.8	Low	46.6	Very low	182 Å²	182	132.2 Å²	132.2	80%	0.798	78%	0.784	S	S	*	*			trans	-76.7	118.8	176.2	-74.8	-81.3	0	0	0	110.7	P192 S196	P192-F194 HydrophobicContact CB-CE2 4.11Å; P192-F194 HydrophobicContact CB-CZ 4.38Å; P192-F194 HydrophobicContact CG-CE2 4.22Å; P192-F194 PolarHBondContact O-N 2.99Å; F194-S196 PolarHBondContact O-N 2.84Å
195	S	46.1	Very low	46.2	Very low	106 Å²	106	131 Å²	131	74%	0.741	78%	0.78	S	S	*	*			trans	-65.8	122.5	168.8	49.6	0	0	0	0	110.2	T193 S197	T193-S195 PolarHBondContact O-N 3.24Å; S195-S197 PolarHBondContact O-N 2.82Å; S195-S197 VanDerWaalsContact O-N 3.09Å
196	S	40.8	Very low	46.3	Very low	130 Å²	130	133.8 Å²	133.8	91%	0.909	79%	0.787	S	S	*	*			trans	-67.1	100.8	172.8	48	0	0	0	0	110.9	F194	F194-S196 PolarHBondContact O-N 2.84Å
197	S	42.8	Very low	46.2	Very low	99 Å²	99	131.1 Å²	131.1	69%	0.692	79%	0.785	S	S	*	*			trans	-136.9	124.9	159.8	70.3	0	0	0	0	110.7	S195	S195-S197 PolarHBondContact O-N 2.82Å; S195-S197 VanDerWaalsContact O-N 3.09Å
198	S	42.8	Very low	46.3	Very low	99 Å²	99	129.1 Å²	129.1	69%	0.692	78%	0.779	S	S	*	*			trans	-0.8	133.3	162	55.2	0	0	0	0	119.9
199	N	40.9	Very low	46.2	Very low	148 Å²	148	125.7 Å²	125.7	79%	0.791	78%	0.78	S	S	*	*			trans	98.6	130.8	150.1	-61.1	-15.2	0	0	0	118.6
200	S	38.1	Very low	46	Very low	106 Å²	106	131 Å²	131	74%	0.741	78%	0.784	S	S	*	*			trans	64.6	113.1	160	63.3	0	0	0	0	119.4
201	S	38	Very low	45.9	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	79%	0.791	S	S	*	*			trans	57.1	128.5	136.9	59.1	0	0	0	0	120.1
202	A	41.2	Very low	45.8	Very low	101 Å²	101	133.3 Å²	133.3	84%	0.835	78%	0.784	S	S	*	*			trans	80.9	83.9	161.3	0	0	0	0	0	117.2
203	C	45.4	Very low	45.9	Very low	114 Å²	114	136.1 Å²	136.1	77%	0.77	80%	0.8	S	S	*	*			trans	-157.2	100.7	133.9	60.6	0	0	0	0	109.6
204	E	41.5	Very low	46.3	Very low	205 Å²	205	134.9 Å²	134.9	96%	0.958	79%	0.792	S	S	*	*			trans	-90.4	102.1	169	-80.2	-176	149.9	0	0	108.7
205	A	42.9	Very low	46.9	Very low	80 Å²	80	133.1 Å²	133.1	66%	0.661	79%	0.786	S	S	*	*			trans	-160.1	82.9	163	0	0	0	0	0	110
206	F	48.1	Very low	48	Very low	184 Å²	184	132.9 Å²	132.9	81%	0.807	78%	0.782	S	S	*	*			trans	-140.1	90.5	165.8	-69.1	-74.7	0	0	0	110.5	T208	F206-T208 PolarHBondContact O-N 3.42Å
207	A	47	Very low	49.7	Very low	91 Å²	91	132.8 Å²	132.8	75%	0.752	77%	0.77	S	S	*	*			trans	-75.6	73.9	157.3	0	0	0	0	0	109.1
208	T	49.8	Very low	51.2	Low	111 Å²	111	132.3 Å²	132.3	68%	0.681	77%	0.767	S	S	*	*	S	Bend	trans	-166.2	117.2	155.8	50.6	0	0	0	0	110.3	F206	F206-T208 PolarHBondContact O-N 3.42Å
209	T	46.5	Very low	53	Low	136 Å²	136	131.2 Å²	131.2	83%	0.834	77%	0.772	S	S	*	*	S	Bend	trans	43	86	149.1	-50	0	0	0	0	117.3
210	R	48.9	Very low	54.9	Low	238 Å²	238	129.2 Å²	129.2	90%	0.898	76%	0.76	S	S	*	*	S	Bend	trans	-175.8	110.8	136.8	-100.5	163.2	-159.2	-119.2	7	109.5
211	R	49.6	Very low	56.9	Low	256 Å²	256	129.6 Å²	129.6	97%	0.966	76%	0.759	S	S	*	*	S	Bend	trans	53.5	101.2	165.6	-60.7	-171.7	-177	-162	1.6	116.4
212	G	54.1	Low	59	Low	65 Å²	65	133.6 Å²	133.6	67%	0.67	76%	0.763	S	S	*	*	S	Bend	trans	120.7	117.9	172.6	0	0	0	0	0	109.6	V214	G212-V214 PolarHBondContact O-N 3.48Å
213	T	56.2	Low	60.9	Low	154 Å²	154	136.9 Å²	136.9	95%	0.945	76%	0.761	S	S	*	*			trans	-66.8	83	171.2	37	0	0	0	0	108.6
214	V	61	Low	62.6	Low	115 Å²	115	136.1 Å²	136.1	70%	0.697	75%	0.749	S	S	*	*			trans	-80.2	115.6	166.4	-170.6	0	0	0	0	106.1	G212	G212-V214 PolarHBondContact O-N 3.48Å
215	H	63.6	Low	64.2	Low	145 Å²	145	130.8 Å²	130.8	67%	0.671	73%	0.727	S	S	*	*			trans	-61.6	129.5	173.7	-124.5	-54.8	0	0	0	107.4	L217 S218	H215-L217 PolarHBondContact O-N 2.84Å; H215-S218 WeakPolarHBondContact O-CB 3.33Å; H215-S218 PolarHBondContact O-N 3.1Å
216	P	69.8	Low	66	Low	100 Å²	100	134.6 Å²	134.6	65%	0.649	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-18.3	-177.2	-26.3	33.3	0	0	0	114.7
217	L	74.7	Confident	67.5	Low	129 Å²	129	133.9 Å²	133.9	68%	0.675	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-0.5	178.3	-54.7	179	0	0	0	113	H215 G219 I220	H215-L217 PolarHBondContact O-N 2.84Å; L217-G219 PolarHBondContact O-N 3.08Å; L217-I220 HydrophobicContact CD2-CD1 4.07Å; L217-I220 PolarHBondContact O-N 2.82Å
218	S	75.9	Confident	68.8	Low	88 Å²	88	136.1 Å²	136.1	62%	0.615	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	122.1	179.5	-172.5	0	0	0	0	109.9	H215	H215-S218 WeakPolarHBondContact O-CB 3.33Å; H215-S218 PolarHBondContact O-N 3.1Å
219	G	80.7	Confident	69.7	Low	77 Å²	77	136.2 Å²	136.2	79%	0.794	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	88.4	-4.8	-177.3	0	0	0	0	0	114.9	L217 P221	L217-G219 PolarHBondContact O-N 3.08Å; G219-P221 WeakPolarHBondContact O-CD 3.37Å
220	I	80.9	Confident	70.5	Confident	106 Å²	106	134 Å²	134	54%	0.544	69%	0.692	S	S	.	*			trans	-81.7	112.3	169.3	-55	-175.5	0	0	0	107.7	L217 F222	L217-I220 HydrophobicContact CD2-CD1 4.07Å; L217-I220 PolarHBondContact O-N 2.82Å; I220-F222 PolarHBondContact O-N 2.52Å
221	P	79.8	Confident	71	Confident	113 Å²	113	130.1 Å²	130.1	73%	0.734	69%	0.69	S	S	*	*			trans	-61.3	124.5	173.3	23.7	-30.8	0	0	0	109.1	G219	G219-P221 WeakPolarHBondContact O-CD 3.37Å
222	F	80.7	Confident	71.5	Confident	197 Å²	197	124.8 Å²	124.8	86%	0.864	68%	0.676	S	S	*	*			trans	-89.5	116.8	167.4	73.8	-81.7	0	0	0	107.1	I220	I220-F222 PolarHBondContact O-N 2.52Å
223	E	82.2	Confident	71.5	Confident	170 Å²	170	128 Å²	128	79%	0.794	68%	0.684	S	S	*	*			trans	-110.4	128.6	165.1	-81.7	-172.5	157.1	0	0	107.9	N225	E223-N225 PolarHBondContact O-N 3.41Å
224	L	80.2	Confident	71.4	Confident	99 Å²	99	123.1 Å²	123.1	52%	0.518	67%	0.665	S	S	.	*			trans	-63.1	132.9	169.5	-154.4	84.2	0	0	0	107.5	K226 Y228 L229	L224-K226 PolarHBondContact O-N 3.19Å; L224-Y228 VanDerWaalsContact CD2-CB 3.42Å; L224-Y228 HydrophobicContact CD2-CG 4.44Å; L224-Y228 HydrophobicContact CG-CD2 4.41Å; L224-L229 HydrophobicContact CB-CD1 4.44Å; L224-L229 HydrophobicContact CB-CD2 4.3Å; L224-L229 HydrophobicContact CB-CG 4.19Å; L224-L229 HydrophobicContact CD2-CD2 4.19Å; L224-L229 HydrophobicContact CD2-CG 4.27Å
225	N	76.6	Confident	70.8	Confident	93 Å²	93	125.3 Å²	125.3	50%	0.497	67%	0.668	S	S	.	*			trans	-53.4	128.4	176.5	-178.6	-31.1	0	0	0	109.1	E223 R227 Y228	E223-N225 PolarHBondContact O-N 3.41Å; N225-R227 HydrophobicContact CB-CG 4.24Å; N225-R227 PolarHBondContact O-N 3.13Å; N225-R227 WeakPolarHBondContact OD1-CG 3.26Å; N225-R227 PolarHBondContact OD1-N 3.25Å; N225-Y228 HydrophobicContact CB-CD2 3.82Å; N225-Y228 HydrophobicContact CB-CE2 4.04Å; N225-Y228 WeakPolarHBondContact O-CB 3.43Å; N225-Y228 WeakPolarHBondContact O-CD2 3.22Å; N225-Y228 PolarHBondContact O-N 3.42Å
226	K	79.3	Confident	70.2	Confident	159 Å²	159	129.8 Å²	129.8	69%	0.691	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-50.9	-27.3	-173.7	-63.6	-175.5	-179.2	-176.4	0	114	L224 Y228 L229 T230	L224-K226 PolarHBondContact O-N 3.19Å; K226-Y228 PolarHBondContact O-N 3.15Å; K226-Y228 VanDerWaalsContact O-N 3.07Å; K226-L229 PolarHBondContact O-N 3.2Å; K226-T230 PolarHBondContact O-N 3.19Å; K226-T230 PolarHBondContact O-OG1 3.03Å; K226-T230 VanDerWaalsContact O-OG1 3.06Å
227	R	80.3	Confident	69.2	Low	170 Å²	170	134 Å²	134	64%	0.642	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-57.3	-20	173.1	77.5	-175.6	-178.5	173.3	-4.5	114.5	N225	N225-R227 HydrophobicContact CB-CG 4.24Å; N225-R227 PolarHBondContact O-N 3.13Å; N225-R227 WeakPolarHBondContact OD1-CG 3.26Å; N225-R227 PolarHBondContact OD1-N 3.25Å
228	Y	74	Confident	67.9	Low	137 Å²	137	135 Å²	135	54%	0.537	69%	0.69	S	S	.	*	G	3₁₀ helix	trans	-105.4	-9.7	178.2	-57.2	-67.2	0	0	0	113.2	L224 N225 K226	L224-Y228 VanDerWaalsContact CD2-CB 3.42Å; L224-Y228 HydrophobicContact CD2-CG 4.44Å; L224-Y228 HydrophobicContact CG-CD2 4.41Å; N225-Y228 HydrophobicContact CB-CD2 3.82Å; N225-Y228 HydrophobicContact CB-CE2 4.04Å; N225-Y228 WeakPolarHBondContact O-CB 3.43Å; N225-Y228 WeakPolarHBondContact O-CD2 3.22Å; N225-Y228 PolarHBondContact O-N 3.42Å; K226-Y228 PolarHBondContact O-N 3.15Å; K226-Y228 VanDerWaalsContact O-N 3.07Å
229	L	69.9	Low	66.7	Low	114 Å²	114	137 Å²	137	60%	0.597	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-9.9	175	-71.5	168	0	0	0	112	L224 K226 D231	L224-L229 HydrophobicContact CB-CD1 4.44Å; L224-L229 HydrophobicContact CB-CD2 4.3Å; L224-L229 HydrophobicContact CB-CG 4.19Å; L224-L229 HydrophobicContact CD2-CD2 4.19Å; L224-L229 HydrophobicContact CD2-CG 4.27Å; K226-L229 PolarHBondContact O-N 3.2Å; L229-D231 PolarHBondContact O-N 3.44Å; L229-D231 VanDerWaalsContact O-N 3.13Å
230	T	61.7	Low	65.1	Low	88 Å²	88	136.1 Å²	136.1	54%	0.54	68%	0.684	S	S	.	*			trans	-83.5	94.4	177	-30.4	0	0	0	0	107.1	K226 E232	K226-T230 PolarHBondContact O-N 3.19Å; K226-T230 PolarHBondContact O-OG1 3.03Å; K226-T230 VanDerWaalsContact O-OG1 3.06Å; T230-E232 HydrophobicContact CG2-CG 3.88Å; T230-E232 PolarHBondContact O-N 3.45Å
231	D	59.5	Low	63.4	Low	158 Å²	158	135 Å²	135	85%	0.845	69%	0.691	S	S	*	*			trans	-63.6	74.2	156.8	-78	-26.4	0	0	0	107.2	L229 P233	L229-D231 PolarHBondContact O-N 3.44Å; L229-D231 VanDerWaalsContact O-N 3.13Å; D231-P233 WeakPolarHBondContact O-CD 3.31Å
232	E	60	Low	62.4	Low	144 Å²	144	134.3 Å²	134.3	67%	0.673	69%	0.689	S	S	*	*			trans	-82.6	108	157.9	-88.5	-68.1	132.4	0	0	105.9	T230 G234	T230-E232 HydrophobicContact CG2-CG 3.88Å; T230-E232 PolarHBondContact O-N 3.45Å; E232-G234 PolarHBondContact O-N 3.44Å
233	P	55.1	Low	61.9	Low	131 Å²	131	133.2 Å²	133.2	85%	0.851	68%	0.684	S	S	*	*	S	Bend	trans	-73.9	72.2	173.4	32.4	-33.5	0	0	0	108.2	D231	D231-P233 WeakPolarHBondContact O-CD 3.31Å
234	G	53.2	Low	61.6	Low	53 Å²	53	135.5 Å²	135.5	55%	0.546	69%	0.687	S	S	.	*	S	Bend	trans	171.4	61.3	-169.7	0	0	0	0	0	114.2	E232	E232-G234 PolarHBondContact O-N 3.44Å
235	E	49.8	Very low	61.7	Low	161 Å²	161	135.2 Å²	135.2	75%	0.752	68%	0.682	S	S	*	*			trans	160.4	91	143	-91.3	-177.2	-177.4	0	0	106.8	R237	E235-R237 PolarHBondContact O-N 3.33Å
236	Y	49.4	Very low	62.1	Low	239 Å²	239	133.6 Å²	133.6	94%	0.937	68%	0.677	S	S	*	*			trans	-63.5	79.9	147.3	-60.2	-80.9	0	0	0	106.1	N238	Y236-N238 VanDerWaalsContact C-N 3.27Å; Y236-N238 PolarHBondContact O-N 3.02Å
237	R	49	Very low	62.3	Low	188 Å²	188	133.3 Å²	133.3	71%	0.709	68%	0.676	S	S	*	*			trans	-57.4	110	158.4	-104.1	177.4	79.6	134.8	-0.9	103.8	E235 N239	E235-R237 PolarHBondContact O-N 3.33Å; R237-N239 PolarHBondContact O-N 3.22Å
238	N	47.2	Very low	62.5	Low	151 Å²	151	131 Å²	131	81%	0.807	68%	0.676	S	S	*	*			trans	-56.8	69.6	166.7	-158.6	7.2	0	0	0	107	Y236 G240	Y236-N238 VanDerWaalsContact C-N 3.27Å; Y236-N238 PolarHBondContact O-N 3.02Å; N238-G240 PolarHBondContact O-N 2.81Å
239	N	51.5	Low	63.1	Low	128 Å²	128	128 Å²	128	68%	0.684	67%	0.668	S	S	*	*			trans	-67.6	101	165.4	-85.5	-5.6	0	0	0	102.4	R237 A241	R237-N239 PolarHBondContact O-N 3.22Å; N239-A241 PolarHBondContact O-N 3.46Å
240	G	46	Very low	63.8	Low	59 Å²	59	126.1 Å²	126.1	61%	0.608	66%	0.657	S	S	*	*			trans	-33.6	114.8	-167.1	0	0	0	0	0	109.1	N238 S242	N238-G240 PolarHBondContact O-N 2.81Å; G240-S242 PolarHBondContact O-N 3.14Å
241	A	46.8	Very low	64.8	Low	83 Å²	83	126.6 Å²	126.6	69%	0.686	66%	0.656	S	S	*	*			trans	-34	110.2	179.8	0	0	0	0	0	107.1	N239 K243	N239-A241 PolarHBondContact O-N 3.46Å; A241-K243 WeakPolarHBondContact O-CA 3.2Å; A241-K243 PolarHBondContact O-N 3.36Å
242	S	58.6	Low	66	Low	99 Å²	99	122.8 Å²	122.8	69%	0.692	64%	0.643	S	S	*	*			trans	-54.7	98.6	172.2	-65.1	0	0	0	0	103.8	G240 Y244	G240-S242 PolarHBondContact O-N 3.14Å; S242-Y244 VanDerWaalsContact C-N 3.27Å; S242-Y244 PolarHBondContact O-N 3.11Å
243	K	69.3	Low	67.2	Low	173 Å²	173	120.7 Å²	120.7	75%	0.752	63%	0.633	S	S	*	*			trans	-68.3	100	-170.4	-154.7	-174.2	-176	-163.5	0	102.7	A241 K245	A241-K243 WeakPolarHBondContact O-CA 3.2Å; A241-K243 PolarHBondContact O-N 3.36Å; K243-K245 PolarHBondContact O-N 2.91Å
244	Y	76.8	Confident	68.5	Low	219 Å²	219	121 Å²	121	86%	0.859	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-55.6	116.5	175.3	-62.1	-79.9	0	0	0	105.2	S242 S246	S242-Y244 VanDerWaalsContact C-N 3.27Å; S242-Y244 PolarHBondContact O-N 3.11Å; Y244-S246 PolarHBondContact O-N 2.87Å
245	K	82.6	Confident	69.7	Low	93 Å²	93	125.1 Å²	125.1	40%	0.404	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-60.4	133.8	176.9	-77.2	175.9	171.3	158.6	0	107.6	K243 E249 I250 E253	K243-K245 PolarHBondContact O-N 2.91Å; K245-E249 WeakPolarHBondContact CA-OE2 3.47Å; K245-E249 HydrophobicContact CB-CB 4.06Å; K245-E249 HydrophobicContact CB-CG 4.25Å; K245-E249 HydrophobicContact CD-CG 4.47Å; K245-E249 HydrophobicContact CG-CB 4.4Å; K245-E249 HydrophobicContact CG-CG 4.03Å; K245-I250 HydrophobicContact CB-CD1 4.36Å; K245-I250 HydrophobicContact CB-CG1 3.7Å; K245-E253 VanDerWaalsContact CD-OE2 3.23Å; K245-E253 WeakPolarHBondContact CD-OE2 3.42Å; K245-E253 VanDerWaalsContact CE-OE2 3.29Å; K245-E253 WeakPolarHBondContact CE-OE2 3.25Å; K245-E253 IonicContact NZ-OE1 2.67Å; K245-E253 PolarHBondContact NZ-OE1 3.27Å; K245-E253 IonicContact NZ-OE2 2.65Å; K245-E253 PolarHBondContact NZ-OE2 2.96Å
246	S	83.4	Confident	71.2	Confident	58 Å²	58	123.8 Å²	123.8	41%	0.406	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-63.3	161.7	172	71.9	0	0	0	0	109.5	Y244 D248 E249 I250	Y244-S246 PolarHBondContact O-N 2.87Å; S246-D248 PolarHBondContact O-N 2.76Å; S246-E249 PolarHBondContact N-OE2 2.83Å; S246-E249 PolarHBondContact O-N 3.07Å; S246-E249 WeakPolarHBondContact OG-CB 3.2Å; S246-E249 PolarHBondContact OG-N 3.35Å; S246-E249 VanDerWaalsContact OG-N 3.1Å; S246-I250 WeakPolarHBondContact O-CG1 3.4Å; S246-I250 PolarHBondContact O-N 2.73Å
247	F	83.3	Confident	72.7	Confident	153 Å²	153	120.5 Å²	120.5	67%	0.671	60%	0.601	S	S	*	*	H	α-helix	trans	-52.7	-42.1	174.3	-175.5	-94	0	0	0	111.5	I250 D251	F247-I250 PolarHBondContact O-N 2.9Å; F247-D251 PolarHBondContact O-N 3.14Å
248	D	85.9	Confident	74.2	Confident	121 Å²	121	117.5 Å²	117.5	65%	0.647	59%	0.593	S	S	*	*	H	α-helix	trans	-65.8	-38.2	176.7	-60.2	-33	0	0	0	112.8	S246 I250 D251 S252	S246-D248 PolarHBondContact O-N 2.76Å; D248-I250 VanDerWaalsContact C-N 3.32Å; D248-D251 PolarHBondContact O-N 2.68Å; D248-S252 VanDerWaalsContact O-CB 3.32Å; D248-S252 WeakPolarHBondContact O-CB 3.46Å; D248-S252 PolarHBondContact O-N 3.31Å; D248-S252 PolarHBondContact O-OG 3.05Å
249	E	85.9	Confident	76	Confident	75 Å²	75	114.2 Å²	114.2	35%	0.35	58%	0.576	S	S	.	*	H	α-helix	trans	-67	-37.6	178.2	-160.5	172.2	-161.1	0	0	110.3	K245 S246 S252 E253	K245-E249 WeakPolarHBondContact CA-OE2 3.47Å; K245-E249 HydrophobicContact CB-CB 4.06Å; K245-E249 HydrophobicContact CB-CG 4.25Å; K245-E249 HydrophobicContact CD-CG 4.47Å; K245-E249 HydrophobicContact CG-CB 4.4Å; K245-E249 HydrophobicContact CG-CG 4.03Å; S246-E249 PolarHBondContact N-OE2 2.83Å; S246-E249 PolarHBondContact O-N 3.07Å; S246-E249 WeakPolarHBondContact OG-CB 3.2Å; S246-E249 PolarHBondContact OG-N 3.35Å; S246-E249 VanDerWaalsContact OG-N 3.1Å; E249-S252 PolarHBondContact O-OG 2.81Å; E249-E253 WeakPolarHBondContact O-CB 3.28Å; E249-E253 PolarHBondContact O-N 2.79Å
250	I	84.8	Confident	77.4	Confident	74 Å²	74	114.9 Å²	114.9	38%	0.379	57%	0.574	S	S	.	*	H	α-helix	trans	-64.7	-50.2	172.1	-63.1	170.1	0	0	0	110.7	K245 S246 F247 D248 S252 E253 F254	K245-I250 HydrophobicContact CB-CD1 4.36Å; K245-I250 HydrophobicContact CB-CG1 3.7Å; S246-I250 WeakPolarHBondContact O-CG1 3.4Å; S246-I250 PolarHBondContact O-N 2.73Å; F247-I250 PolarHBondContact O-N 2.9Å; D248-I250 VanDerWaalsContact C-N 3.32Å; I250-S252 PolarHBondContact O-N 3.47Å; I250-E253 PolarHBondContact O-N 3.07Å; I250-E253 VanDerWaalsContact O-N 3.16Å; I250-F254 HydrophobicContact CG2-CD2 3.77Å; I250-F254 HydrophobicContact CG2-CE2 4.22Å; I250-F254 VanDerWaalsContact O-CD2 3.28Å; I250-F254 WeakPolarHBondContact O-CD2 3.39Å; I250-F254 PolarHBondContact O-N 2.7Å
251	D	83.2	Confident	79.4	Confident	98 Å²	98	115 Å²	115	52%	0.524	56%	0.559	S	S	.	*	H	α-helix	trans	-62.4	-32.7	-179.7	-115.1	16.1	0	0	0	112.1	F247 D248 Q255	F247-D251 PolarHBondContact O-N 3.14Å; D248-D251 PolarHBondContact O-N 2.68Å; D251-Q255 WeakPolarHBondContact O-CA 3.33Å; D251-Q255 PolarHBondContact O-N 2.98Å
252	S	83.9	Confident	81.3	Confident	79 Å²	79	119.5 Å²	119.5	55%	0.552	56%	0.558	S	S	*	*	H	α-helix	trans	-73	-36.9	175.2	77	0	0	0	0	113.2	D248 E249 I250	D248-S252 VanDerWaalsContact O-CB 3.32Å; D248-S252 WeakPolarHBondContact O-CB 3.46Å; D248-S252 PolarHBondContact O-N 3.31Å; D248-S252 PolarHBondContact O-OG 3.05Å; E249-S252 PolarHBondContact O-OG 2.81Å; I250-S252 PolarHBondContact O-N 3.47Å
253	E	85.3	Confident	82.6	Confident	100 Å²	100	121.6 Å²	121.6	47%	0.467	56%	0.555	S	S	.	*	H	α-helix	trans	-75.2	-39.4	-179.2	-178.7	176.7	-147.7	0	0	111.7	K245 E249 I250	K245-E253 VanDerWaalsContact CD-OE2 3.23Å; K245-E253 WeakPolarHBondContact CD-OE2 3.42Å; K245-E253 VanDerWaalsContact CE-OE2 3.29Å; K245-E253 WeakPolarHBondContact CE-OE2 3.25Å; K245-E253 IonicContact NZ-OE1 2.67Å; K245-E253 PolarHBondContact NZ-OE1 3.27Å; K245-E253 IonicContact NZ-OE2 2.65Å; K245-E253 PolarHBondContact NZ-OE2 2.96Å; E249-E253 WeakPolarHBondContact O-CB 3.28Å; E249-E253 PolarHBondContact O-N 2.79Å; I250-E253 PolarHBondContact O-N 3.07Å; I250-E253 VanDerWaalsContact O-N 3.16Å
254	F	83.4	Confident	83.2	Confident	138 Å²	138	118.6 Å²	118.6	61%	0.605	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	27.3	-176.3	-60.5	-75.9	0	0	0	112.4	I250 Y256	I250-F254 HydrophobicContact CG2-CD2 3.77Å; I250-F254 HydrophobicContact CG2-CE2 4.22Å; I250-F254 VanDerWaalsContact O-CD2 3.28Å; I250-F254 WeakPolarHBondContact O-CD2 3.39Å; I250-F254 PolarHBondContact O-N 2.7Å; F254-Y256 VanDerWaalsContact C-N 3.25Å; F254-Y256 WeakPolarHBondContact O-CA 3.33Å; F254-Y256 WeakPolarHBondContact O-CB 3.17Å; F254-Y256 PolarHBondContact O-N 3.43Å
255	Q	78.7	Confident	83.4	Confident	138 Å²	138	114.4 Å²	114.4	65%	0.645	54%	0.539	S	S	*	.			trans	-54.5	87.5	-176.4	-149.6	-172.3	44	0	0	110.8	D251 R257	D251-Q255 WeakPolarHBondContact O-CA 3.33Å; D251-Q255 PolarHBondContact O-N 2.98Å; Q255-R257 PolarHBondContact O-N 3.5Å
256	Y	81	Confident	83.4	Confident	133 Å²	133	113.2 Å²	113.2	52%	0.522	55%	0.546	S	S	.	.			trans	-83.2	95.7	-169.1	-170.8	-96	0	0	0	107.8	F254 F258 E261	F254-Y256 VanDerWaalsContact C-N 3.25Å; F254-Y256 WeakPolarHBondContact O-CA 3.33Å; F254-Y256 WeakPolarHBondContact O-CB 3.17Å; F254-Y256 PolarHBondContact O-N 3.43Å; Y256-F258 HydrophobicContact CD1-CD1 4.34Å; Y256-F258 HydrophobicContact CD1-CD2 4.4Å; Y256-F258 HydrophobicContact CD1-CE1 4.32Å; Y256-F258 HydrophobicContact CD1-CE2 4.37Å; Y256-F258 HydrophobicContact CD1-CG 4.38Å; Y256-F258 HydrophobicContact CD1-CZ 4.33Å; Y256-F258 HydrophobicContact CE1-CD1 4.08Å; Y256-F258 HydrophobicContact CE1-CE1 4.21Å; Y256-F258 HydrophobicContact CE1-CG 4.42Å; Y256-F258 PolarHBondContact O-N 3.12Å; Y256-E261 WeakPolarHBondContact CE1-OE1 3.49Å; Y256-E261 PolarHBondContact OH-OE1 2.74Å
257	R	79.3	Confident	83.2	Confident	170 Å²	170	114.5 Å²	114.5	64%	0.642	55%	0.552	S	S	*	*			trans	-74	119.3	171.7	-55.4	-178.9	89.1	105.7	-1.9	106.7	Q255 D259	Q255-R257 PolarHBondContact O-N 3.5Å; R257-D259 HydrophobicContact CB-CB 4.44Å; R257-D259 VanDerWaalsContact CB-OD2 3.27Å; R257-D259 WeakPolarHBondContact CB-OD2 3.43Å; R257-D259 IonicContact NE-OD2 3.1Å; R257-D259 PolarHBondContact O-N 3.06Å
258	F	80.8	Confident	82.6	Confident	126 Å²	126	112 Å²	112	55%	0.553	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	26.9	175.6	-71.8	-92.2	0	0	0	113.4	Y256 Q260 E261 R262	Y256-F258 HydrophobicContact CD1-CD1 4.34Å; Y256-F258 HydrophobicContact CD1-CD2 4.4Å; Y256-F258 HydrophobicContact CD1-CE1 4.32Å; Y256-F258 HydrophobicContact CD1-CE2 4.37Å; Y256-F258 HydrophobicContact CD1-CG 4.38Å; Y256-F258 HydrophobicContact CD1-CZ 4.33Å; Y256-F258 HydrophobicContact CE1-CD1 4.08Å; Y256-F258 HydrophobicContact CE1-CE1 4.21Å; Y256-F258 HydrophobicContact CE1-CG 4.42Å; Y256-F258 PolarHBondContact O-N 3.12Å; F258-Q260 VanDerWaalsContact C-N 3.28Å; F258-Q260 PolarHBondContact O-N 3.42Å; F258-E261 WeakPolarHBondContact CA-OE2 3.36Å; F258-E261 HydrophobicContact CD1-CB 4.46Å; F258-E261 HydrophobicContact CD1-CG 4.14Å; F258-E261 PolarHBondContact O-N 3.39Å; F258-R262 VanDerWaalsContact O-CB 3.32Å; F258-R262 WeakPolarHBondContact O-CB 3.3Å; F258-R262 VanDerWaalsContact O-CG 3.26Å; F258-R262 WeakPolarHBondContact O-CG 3.29Å; F258-R262 PolarHBondContact O-N 2.8Å
259	D	86.1	Confident	81.3	Confident	82 Å²	82	115 Å²	115	44%	0.439	58%	0.577	S	S	.	*	H	α-helix	trans	-68.1	-33.5	-175.9	-64.7	-24.6	0	0	0	110	R257 R262 F263	R257-D259 HydrophobicContact CB-CB 4.44Å; R257-D259 VanDerWaalsContact CB-OD2 3.27Å; R257-D259 WeakPolarHBondContact CB-OD2 3.43Å; R257-D259 IonicContact NE-OD2 3.1Å; R257-D259 PolarHBondContact O-N 3.06Å; D259-R262 PolarHBondContact O-N 3.09Å; D259-F263 VanDerWaalsContact O-CB 3.26Å; D259-F263 WeakPolarHBondContact O-CB 3.29Å; D259-F263 PolarHBondContact O-N 3.45Å
260	Q	80.6	Confident	81.1	Confident	141 Å²	141	117.1 Å²	117.1	66%	0.659	59%	0.588	S	S	*	*	H	α-helix	trans	-69.5	-41.8	177.3	-150	166.2	24.8	0	0	111.3	F258 F263 L264	F258-Q260 VanDerWaalsContact C-N 3.28Å; F258-Q260 PolarHBondContact O-N 3.42Å; Q260-F263 PolarHBondContact O-N 2.89Å; Q260-L264 WeakPolarHBondContact O-CG 3.21Å; Q260-L264 PolarHBondContact O-N 2.9Å; Q260-L264 VanDerWaalsContact O-N 3.14Å
261	E	88.1	Confident	80.9	Confident	63 Å²	63	119.3 Å²	119.3	29%	0.294	60%	0.599	S	S	.	*	H	α-helix	trans	-66.1	-44	173.2	-67.6	81.5	174.6	0	0	111.9	Y256 F258 F263 L264 L265	Y256-E261 WeakPolarHBondContact CE1-OE1 3.49Å; Y256-E261 PolarHBondContact OH-OE1 2.74Å; F258-E261 WeakPolarHBondContact CA-OE2 3.36Å; F258-E261 HydrophobicContact CD1-CB 4.46Å; F258-E261 HydrophobicContact CD1-CG 4.14Å; F258-E261 PolarHBondContact O-N 3.39Å; E261-F263 VanDerWaalsContact C-N 3.29Å; E261-F263 PolarHBondContact O-N 3.25Å; E261-L264 PolarHBondContact O-N 2.8Å; E261-L265 WeakPolarHBondContact O-CG 3.3Å; E261-L265 PolarHBondContact O-N 3.11Å
262	R	86.6	Confident	80.8	Confident	176 Å²	176	120.5 Å²	120.5	66%	0.664	60%	0.603	S	S	*	*	H	α-helix	trans	-62.8	-37.6	176.9	-77.7	176.8	174.7	175.6	-1.1	111.7	F258 D259 L265 A266	F258-R262 VanDerWaalsContact O-CB 3.32Å; F258-R262 WeakPolarHBondContact O-CB 3.3Å; F258-R262 VanDerWaalsContact O-CG 3.26Å; F258-R262 WeakPolarHBondContact O-CG 3.29Å; F258-R262 PolarHBondContact O-N 2.8Å; D259-R262 PolarHBondContact O-N 3.09Å; R262-L265 PolarHBondContact O-N 2.83Å; R262-A266 WeakPolarHBondContact O-CB 3.43Å; R262-A266 PolarHBondContact O-N 3.16Å
263	F	85	Confident	80.6	Confident	143 Å²	143	122.9 Å²	122.9	63%	0.627	61%	0.606	S	S	*	*	H	α-helix	trans	-64.3	-45.6	176.4	-169.1	-90.5	0	0	0	111.6	D259 Q260 E261 L265 A266 T267	D259-F263 VanDerWaalsContact O-CB 3.26Å; D259-F263 WeakPolarHBondContact O-CB 3.29Å; D259-F263 PolarHBondContact O-N 3.45Å; Q260-F263 PolarHBondContact O-N 2.89Å; E261-F263 VanDerWaalsContact C-N 3.29Å; E261-F263 PolarHBondContact O-N 3.25Å; F263-L265 VanDerWaalsContact C-N 3.32Å; F263-L265 PolarHBondContact O-N 2.9Å; F263-A266 PolarHBondContact O-N 2.98Å; F263-T267 HydrophobicContact CD1-CG2 4.29Å; F263-T267 HydrophobicContact CE1-CG2 3.91Å; F263-T267 HydrophobicContact CZ-CG2 4.27Å; F263-T267 PolarHBondContact O-N 2.6Å; F263-T267 VanDerWaalsContact O-N 3.13Å; F263-T267 PolarHBondContact O-OG1 3.3Å
264	L	82.8	Confident	80.3	Confident	111 Å²	111	124.4 Å²	124.4	58%	0.581	62%	0.615	S	S	*	*	H	α-helix	trans	-64.2	-35.7	177.8	-69.2	171.9	0	0	0	112.7	Q260 E261 T267 S268	Q260-L264 WeakPolarHBondContact O-CG 3.21Å; Q260-L264 PolarHBondContact O-N 2.9Å; Q260-L264 VanDerWaalsContact O-N 3.14Å; E261-L264 PolarHBondContact O-N 2.8Å; L264-T267 PolarHBondContact O-OG1 2.6Å; L264-S268 PolarHBondContact O-OG 3.04Å
265	L	81.7	Confident	80.1	Confident	131 Å²	131	123.5 Å²	123.5	69%	0.686	62%	0.615	S	S	*	*	H	α-helix	trans	-67.8	-37	174.2	-73.7	167.6	0	0	0	112.2	E261 R262 F263 S268	E261-L265 WeakPolarHBondContact O-CG 3.3Å; E261-L265 PolarHBondContact O-N 3.11Å; R262-L265 PolarHBondContact O-N 2.83Å; F263-L265 VanDerWaalsContact C-N 3.32Å; F263-L265 PolarHBondContact O-N 2.9Å; L265-S268 PolarHBondContact O-N 3.19Å
266	A	82.2	Confident	80.2	Confident	68 Å²	68	122.4 Å²	122.4	56%	0.562	61%	0.613	S	S	*	*	H	α-helix	trans	-73.4	-27.4	179.9	0	0	0	0	0	113.6	R262 F263 S268	R262-A266 WeakPolarHBondContact O-CB 3.43Å; R262-A266 PolarHBondContact O-N 3.16Å; F263-A266 PolarHBondContact O-N 2.98Å; A266-S268 VanDerWaalsContact C-N 3.32Å
267	T	79.4	Confident	80.2	Confident	85 Å²	85	121.6 Å²	121.6	52%	0.521	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.4	-1.3	177.5	52.6	0	0	0	0	114.1	F263 L264	F263-T267 HydrophobicContact CD1-CG2 4.29Å; F263-T267 HydrophobicContact CE1-CG2 3.91Å; F263-T267 HydrophobicContact CZ-CG2 4.27Å; F263-T267 PolarHBondContact O-N 2.6Å; F263-T267 VanDerWaalsContact O-N 3.13Å; F263-T267 PolarHBondContact O-OG1 3.3Å; L264-T267 PolarHBondContact O-OG1 2.6Å
268	S	70.9	Confident	80.2	Confident	101 Å²	101	117.6 Å²	117.6	71%	0.706	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	12	-174.8	-61.3	0	0	0	0	114.8	L264 L265 A266	L264-S268 PolarHBondContact O-OG 3.04Å; L265-S268 PolarHBondContact O-N 3.19Å; A266-S268 VanDerWaalsContact C-N 3.32Å
269	T	58.6	Low	80.2	Confident	184 Å²	184	116.8 Å²	116.8	100%	1.129	62%	0.624	S	S	*	*			trans	-106.8	0	169.6	44.2	0	0	0	0	111.2

Retrieved 269 of 269 residues in 240.4 ms (Link to these results)

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