A0A077Z7F4_TRITR Loading...

TrmE N domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7F4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 129 aa.

						>A0A077Z7F4_TRITR|A0A077Z7F4
MRRFIWMQSVRHSCSTIFALSSGKVPSAIAVIRVSGPKSRHVLTSMTNCRNPLNRRLYPTDIRHPISKGLLDRGMAVYLKGPATFTGEDSCELHVHGSQAVIRDVCAALYQIEELTPAEPGQFTKREVL
					

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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	41.3	Very low	41.5	Very low	231 Å²	231	175.7 Å²	175.7	100%	1.138	80%	0.796	S	S	*	*				0	117.1	0	-158.1	163.7	-165.3	0	0	108
2	R	45.5	Very low	41.7	Very low	204 Å²	204	173.3 Å²	173.3	77%	0.77	79%	0.786	S	S	*	*			trans	52.1	90.1	169.5	-59.7	-178.3	-177.3	-110.4	-0.8	117.4	F4	R2-F4 VanDerWaalsContact C-N 3.33Å; R2-F4 HydrophobicContact CB-CD2 4.05Å; R2-F4 HydrophobicContact CB-CE2 4.07Å; R2-F4 PolarHBondContact O-N 3.09Å
3	R	43	Very low	42.5	Very low	254 Å²	254	167.4 Å²	167.4	96%	0.958	78%	0.778	S	S	*	*			trans	-59.4	93.3	155.2	-115.8	174.7	179	164.3	-1.1	107.7
4	F	52.2	Low	43.6	Very low	167 Å²	167	159.4 Å²	159.4	73%	0.732	75%	0.749	S	S	*	*			trans	-68.8	128	175.6	-99.1	-99.9	0	0	0	109.5	R2 W6	R2-F4 VanDerWaalsContact C-N 3.33Å; R2-F4 HydrophobicContact CB-CD2 4.05Å; R2-F4 HydrophobicContact CB-CE2 4.07Å; R2-F4 PolarHBondContact O-N 3.09Å; F4-W6 PolarHBondContact O-N 2.99Å; F4-W6 VanDerWaalsContact O-N 3.09Å
5	I	42.1	Very low	46.5	Very low	168 Å²	168	150.6 Å²	150.6	86%	0.862	71%	0.712	S	S	*	*			trans	-58.6	107.4	179.6	-67.8	155.4	0	0	0	108.5
6	W	36.9	Very low	49.6	Very low	208 Å²	208	141.2 Å²	141.2	79%	0.788	67%	0.667	S	S	*	*			trans	-82.3	119.7	169.1	-88.2	80.1	0	0	0	108.9	F4	F4-W6 PolarHBondContact O-N 2.99Å; F4-W6 VanDerWaalsContact O-N 3.09Å
7	M	36.5	Very low	52.5	Low	117 Å²	117	132.9 Å²	132.9	58%	0.576	63%	0.628	S	S	*	*				67.8	115.1	129.9	-76.6	-162.8	-23.2	0	0	120
8	Q	38.5	Very low	55	Low	157 Å²	157	125.9 Å²	125.9	73%	0.734	60%	0.595	S	S	*	*				108.8	117.8	116.1	-80.8	176.3	19.7	0	0	115.7
9	S	36.3	Very low	57.3	Low	93 Å²	93	120.6 Å²	120.6	65%	0.65	57%	0.574	S	S	*	*			trans	66.7	82.2	146.2	-151.7	0	0	0	0	111.5	R11	S9-R11 PolarHBondContact O-N 2.7Å
10	V	43.3	Very low	59.3	Low	126 Å²	126	117.8 Å²	117.8	76%	0.764	56%	0.562	S	S	*	*			trans	-50.1	93.6	132.4	-179.2	0	0	0	0	103.5	H12	V10-H12 PolarHBondContact O-N 2.91Å; V10-H12 PolarHBondContact O-ND1 3.12Å
11	R	40.5	Very low	61.1	Low	208 Å²	208	114.3 Å²	114.3	79%	0.785	55%	0.551	S	S	*	*			trans	-51.3	107.8	167.4	-69	-179.9	178.7	-106.9	1.3	100.9	S9 S13	S9-R11 PolarHBondContact O-N 2.7Å; R11-S13 PolarHBondContact O-N 2.66Å
12	H	44.2	Very low	63.6	Low	147 Å²	147	105.1 Å²	105.1	68%	0.681	51%	0.509	S	S	*	.			trans	-62.5	84	157.1	-74.3	73.6	0	0	0	101.7	V10 C14	V10-H12 PolarHBondContact O-N 2.91Å; V10-H12 PolarHBondContact O-ND1 3.12Å; H12-C14 PolarHBondContact O-N 3.35Å; H12-C14 PolarHBondContact O-SG 3Å
13	S	51.7	Low	65.7	Low	96 Å²	96	98.4 Å²	98.4	67%	0.671	50%	0.504	S	S	*	.			trans	-61.8	88.6	161.7	48.1	0	0	0	0	101.5	R11 S15	R11-S13 PolarHBondContact O-N 2.66Å; S13-S15 WeakPolarHBondContact O-CA 3.35Å; S13-S15 WeakPolarHBondContact O-CB 3.5Å; S13-S15 PolarHBondContact O-N 3.42Å
14	C	59.1	Low	67.9	Low	55 Å²	55	95.6 Å²	95.6	37%	0.372	50%	0.498	S	S	.	.			trans	-57.8	90.3	-177	-70	0	0	0	0	106.7	H12 T16 T116 R126	H12-C14 PolarHBondContact O-N 3.35Å; H12-C14 PolarHBondContact O-SG 3Å; C14-T16 VanDerWaalsContact C-N 3.35Å; C14-T116 HydrophobicContact CB-CG2 3.93Å; C14-R126 PolarHBondContact O-NH2 2.67Å
15	S	86.3	Confident	69.8	Low	28 Å²	28	89.5 Å²	89.5	20%	0.196	48%	0.475	C	S	.	.			trans	-81.3	-29.7	-160.4	59.4	0	0	0	0	109.3	S13 P37 R126	S13-S15 WeakPolarHBondContact O-CA 3.35Å; S13-S15 WeakPolarHBondContact O-CB 3.5Å; S13-S15 PolarHBondContact O-N 3.42Å; S15-P37 WeakPolarHBondContact OG-CG 3.34Å; S15-R126 PolarHBondContact O-NH1 3.44Å
16	T	97	Very high	72.2	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.7	-178.7	-49.2	0	0	0	0	111.3	C14 V34 S35 P37 K38 L115 T116	C14-T16 VanDerWaalsContact C-N 3.35Å; T16-V34 HydrophobicContact CG2-CG1 3.42Å; T16-V34 VanDerWaalsContact CG2-CG1 3.42Å; T16-S35 CarbonylContact C-O 3.3Å; T16-S35 WeakPolarHBondContact CA-O 3.4Å; T16-S35 WeakPolarHBondContact CG2-O 3.43Å; T16-P37 WeakPolarHBondContact OG1-CD 3.47Å; T16-K38 HydrophobicContact CG2-CB 4.03Å; T16-K38 WeakPolarHBondContact OG1-CB 3.2Å; T16-K38 PolarHBondContact OG1-N 2.77Å; T16-L115 HydrophobicContact CG2-CD1 4.16Å; T16-L115 HydrophobicContact CG2-CG 4.06Å; T16-L115 WeakPolarHBondContact O-CA 3.25Å; T16-T116 PolarHBondContact O-N 3.37Å; T16-T116 VanDerWaalsContact O-N 3.08Å
17	I	97.4	Very high	75	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	152	179.4	57.1	170.8	0	0	0	111.2	V34 S35 T116 A118 Q122 F123	I17-V34 CarbonylContact O-C 3.57Å; I17-V34 VanDerWaalsContact O-CA 3.28Å; I17-V34 WeakPolarHBondContact O-CA 3.49Å; I17-S35 PolarHBondContact N-O 3.32Å; I17-S35 PolarHBondContact O-N 3.08Å; I17-T116 CarbonylContact C-O 3.49Å; I17-T116 WeakPolarHBondContact CA-O 3.33Å; I17-A118 HydrophobicContact CB-CB 4.05Å; I17-A118 HydrophobicContact CD1-CB 3.98Å; I17-A118 HydrophobicContact CG1-CB 4.35Å; I17-Q122 HydrophobicContact CD1-CB 4.13Å; I17-Q122 HydrophobicContact CD1-CG 3.75Å; I17-F123 HydrophobicContact CD1-CD1 3.66Å; I17-F123 HydrophobicContact CD1-CE1 3.74Å; I17-F123 HydrophobicContact CD1-CG 4.47Å; I17-F123 HydrophobicContact CG1-CD1 4.11Å; I17-F123 HydrophobicContact CG1-CE1 3.69Å
18	F	98.5	Very high	77.9	Confident	7 Å²	7	77.1 Å²	77.1	3%	0.031	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	148.6	175.7	71.8	-90.2	0	0	0	113.3	R33 V34 C106 L109 L115 T116 P117 A118	F18-R33 CarbonylContact C-O 3.57Å; F18-R33 WeakPolarHBondContact CA-O 3.13Å; F18-R33 WeakPolarHBondContact CB-O 3.38Å; F18-V34 HydrophobicContact CB-CB 4.39Å; F18-V34 HydrophobicContact CB-CG1 4.46Å; F18-V34 HydrophobicContact CB-CG2 3.87Å; F18-C106 HydrophobicContact CE2-CB 4.09Å; F18-L109 HydrophobicContact CB-CD1 4.25Å; F18-L109 HydrophobicContact CD1-CB 4.09Å; F18-L109 HydrophobicContact CD2-CB 4.01Å; F18-L109 HydrophobicContact CD2-CD1 3.61Å; F18-L109 HydrophobicContact CD2-CG 4.43Å; F18-L109 HydrophobicContact CE1-CB 3.92Å; F18-L109 HydrophobicContact CE2-CB 3.85Å; F18-L109 HydrophobicContact CE2-CD1 4.11Å; F18-L109 HydrophobicContact CG-CB 4.14Å; F18-L109 HydrophobicContact CG-CD1 3.94Å; F18-L109 HydrophobicContact CZ-CB 3.79Å; F18-L115 HydrophobicContact CD1-CB 4.23Å; F18-L115 HydrophobicContact CD1-CD2 4.41Å; F18-L115 HydrophobicContact CE1-CB 4.36Å; F18-T116 WeakPolarHBondContact CD1-O 3.31Å; F18-T116 PolarHBondContact N-O 2.72Å; F18-P117 HydrophobicContact CE1-CG 4.34Å; F18-P117 HydrophobicContact CZ-CG 3.99Å; F18-P117 CarbonylContact O-C 3.49Å; F18-P117 WeakPolarHBondContact O-CA 3.3Å; F18-A118 PolarHBondContact O-N 2.91Å
19	A	97.9	Very high	80.7	Confident	25 Å²	25	74.8 Å²	74.8	21%	0.207	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	159.4	169.7	0	0	0	0	0	112.4	S21 R33 A118 F123	A19-S21 PolarHBondContact O-N 2.75Å; A19-S21 PolarHBondContact O-OG 2.78Å; A19-R33 PolarHBondContact N-O 2.82Å; A19-R33 PolarHBondContact O-N 2.6Å; A19-A118 HydrophobicContact CB-CB 3.83Å; A19-F123 HydrophobicContact CB-CE2 3.98Å; A19-F123 HydrophobicContact CB-CZ 4.46Å
20	L	98	Very high	83.6	Confident	64 Å²	64	70.3 Å²	70.3	34%	0.335	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	120.3	162.1	-178.6	68.8	0	0	0	108.7	S22 V25 A30 I32 I102	L20-S22 WeakPolarHBondContact CD1-OG 3.4Å; L20-V25 HydrophobicContact CD2-CG1 4.1Å; L20-A30 HydrophobicContact CD1-CB 3.88Å; L20-I32 HydrophobicContact CD1-CG1 4.34Å; L20-I102 HydrophobicContact CD1-CD1 4.03Å; L20-I102 HydrophobicContact CD1-CG1 4.4Å; L20-I102 HydrophobicContact CD1-CG2 4.24Å; L20-I102 HydrophobicContact CD2-CD1 4.4Å; L20-I102 HydrophobicContact CD2-CG2 4.45Å
21	S	97.1	Very high	86.3	Confident	46 Å²	46	65.7 Å²	65.7	32%	0.322	38%	0.381	S	S	.	.			trans	-120.5	8.3	-172.7	-60.7	0	0	0	0	112.9	A19 V31 R33	A19-S21 PolarHBondContact O-N 2.75Å; A19-S21 PolarHBondContact O-OG 2.78Å; S21-V31 PolarHBondContact N-O 2.83Å; S21-R33 WeakPolarHBondContact OG-CB 3.35Å
22	S	94	Very high	89	Confident	37 Å²	37	55.8 Å²	55.8	26%	0.259	34%	0.344	S	S	.	.	S	Bend	trans	-100.9	167	167.5	56.5	0	0	0	0	111.1	L20 A30 V31	L20-S22 WeakPolarHBondContact CD1-OG 3.4Å; S22-A30 VanDerWaalsContact OG-CA 3.31Å; S22-A30 WeakPolarHBondContact OG-CA 3.44Å; S22-V31 PolarHBondContact N-O 2.76Å; S22-V31 PolarHBondContact OG-N 2.83Å
23	G	89.1	Confident	91.6	Very high	64 Å²	64	51.4 Å²	51.4	66%	0.66	32%	0.322	S	S	*	.	S	Bend	trans	-72.6	-147.4	-179.8	0	0	0	0	0	115
24	K	90.4	Very high	93.9	Very high	194 Å²	194	46.9 Å²	46.9	84%	0.843	29%	0.29	S	S	*	.	S	Bend	trans	-53.9	135.7	-171.9	-172.4	176.7	-179.4	-179.9	0	112.9
25	V	91.7	Very high	95.7	Very high	40 Å²	40	44.2 Å²	44.2	24%	0.242	27%	0.272	C	S	.	.	S	Bend	trans	-111.7	147.4	173.2	-64	0	0	0	0	110.1	L20 Q99 I102	L20-V25 HydrophobicContact CD2-CG1 4.1Å; V25-Q99 HydrophobicContact CG2-CG 4.39Å; V25-I102 HydrophobicContact CB-CD1 4.23Å; V25-I102 HydrophobicContact CG1-CD1 3.48Å; V25-I102 VanDerWaalsContact CG1-CD1 3.48Å
26	P	92.4	Very high	96.2	Very high	104 Å²	104	43 Å²	43	68%	0.675	26%	0.263	S	S	*	.	S	Bend	cis	-72.2	152.4	2.9	31.4	-35.9	0	0	0	113.7	G97	P26-G97 WeakPolarHBondContact CA-O 3.47Å
27	S	95.1	Very high	96.1	Very high	41 Å²	41	47 Å²	47	29%	0.287	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	163.6	177.4	60.9	0	0	0	0	110.8	I29 G97	S27-I29 VanDerWaalsContact C-N 3.32Å; S27-I29 VanDerWaalsContact OG-C 3.32Å; S27-I29 PolarHBondContact OG-O 2.9Å; S27-G97 PolarHBondContact N-O 3.06Å; S27-G97 VanDerWaalsContact N-O 3.13Å; S27-G97 CarbonylContact O-C 3.53Å; S27-G97 WeakPolarHBondContact O-CA 3.47Å; S27-G97 PolarHBondContact O-N 2.89Å
28	A	96.7	Very high	96.1	Very high	87 Å²	87	50 Å²	50	72%	0.719	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	-44	174	0	0	0	0	0	111.1
29	I	97.4	Very high	96.1	Very high	108 Å²	108	49.7 Å²	49.7	55%	0.554	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.1	177.4	-57.6	174.1	0	0	0	108.7	S27 H94 V95	S27-I29 VanDerWaalsContact C-N 3.32Å; S27-I29 VanDerWaalsContact OG-C 3.32Å; S27-I29 PolarHBondContact OG-O 2.9Å; I29-H94 HydrophobicContact CG2-CB 4.17Å; I29-V95 CarbonylContact C-O 3.6Å; I29-V95 WeakPolarHBondContact CA-O 3.23Å
30	A	98.4	Very high	96	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.8	166.9	0	0	0	0	0	109.7	L20 S22 H94 V95 I102	L20-A30 HydrophobicContact CD1-CB 3.88Å; S22-A30 VanDerWaalsContact OG-CA 3.31Å; S22-A30 WeakPolarHBondContact OG-CA 3.44Å; A30-H94 WeakPolarHBondContact O-CA 3.46Å; A30-V95 HydrophobicContact CB-CG2 4Å; A30-V95 PolarHBondContact N-O 3.3Å; A30-V95 WeakPolarHBondContact O-CG2 3.3Å; A30-V95 PolarHBondContact O-N 3.47Å; A30-I102 HydrophobicContact CB-CD1 3.75Å; A30-I102 HydrophobicContact CB-CG1 4.08Å
31	V	98.6	Very high	96	Very high	28 Å²	28	54 Å²	54	17%	0.17	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.5	-179	-179.9	0	0	0	0	108.5	S21 S22 E92 L93	S21-V31 PolarHBondContact N-O 2.83Å; S22-V31 PolarHBondContact N-O 2.76Å; S22-V31 PolarHBondContact OG-N 2.83Å; V31-E92 HydrophobicContact CG1-CB 3.93Å; V31-E92 HydrophobicContact CG1-CG 4.11Å; V31-L93 WeakPolarHBondContact CA-O 3.39Å
32	I	98.7	Very high	96	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.8	169.9	-61.4	167.9	0	0	0	107.3	L20 E92 L93 V95 I102 V105 L109	L20-I32 HydrophobicContact CD1-CG1 4.34Å; I32-E92 WeakPolarHBondContact O-CA 3.17Å; I32-L93 HydrophobicContact CB-CB 4.47Å; I32-L93 PolarHBondContact N-O 2.91Å; I32-L93 PolarHBondContact O-N 3.49Å; I32-V95 HydrophobicContact CD1-CG2 4.26Å; I32-I102 HydrophobicContact CD1-CG2 4.44Å; I32-V105 HydrophobicContact CD1-CB 3.82Å; I32-V105 HydrophobicContact CD1-CG1 3.52Å; I32-L109 HydrophobicContact CG2-CD1 3.62Å
33	R	98.6	Very high	96.3	Very high	56 Å²	56	50 Å²	50	21%	0.211	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	143.5	178.8	-176.3	172.2	-72.6	167.3	-1.3	109.9	F18 A19 S21 E92 F123	F18-R33 CarbonylContact C-O 3.57Å; F18-R33 WeakPolarHBondContact CA-O 3.13Å; F18-R33 WeakPolarHBondContact CB-O 3.38Å; A19-R33 PolarHBondContact N-O 2.82Å; A19-R33 PolarHBondContact O-N 2.6Å; S21-R33 WeakPolarHBondContact OG-CB 3.35Å; R33-E92 HydrophobicContact CB-CG 4.49Å; R33-E92 HydrophobicContact CG-CG 4.39Å; R33-E92 IonicContact CZ-OE1 3.76Å; R33-E92 VanDerWaalsContact CZ-OE1 3.31Å; R33-E92 IonicContact NE-OE1 2.8Å; R33-E92 PolarHBondContact NE-OE1 2.82Å; R33-E92 IonicContact NH2-OE1 3.75Å; R33-E92 PolarHBondContact NH2-OE1 2.88Å; R33-F123 HydrophobicContact CB-CE2 4.25Å; R33-F123 HydrophobicContact CB-CZ 4.01Å; R33-F123 HydrophobicContact CG-CE1 4.25Å; R33-F123 HydrophobicContact CG-CZ 4.04Å
34	V	98.7	Very high	96.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.7	168.9	-173.4	0	0	0	0	107.3	T16 I17 F18 S39 V42 S90 C91 L109	T16-V34 HydrophobicContact CG2-CG1 3.42Å; T16-V34 VanDerWaalsContact CG2-CG1 3.42Å; I17-V34 CarbonylContact O-C 3.57Å; I17-V34 VanDerWaalsContact O-CA 3.28Å; I17-V34 WeakPolarHBondContact O-CA 3.49Å; F18-V34 HydrophobicContact CB-CB 4.39Å; F18-V34 HydrophobicContact CB-CG1 4.46Å; F18-V34 HydrophobicContact CB-CG2 3.87Å; V34-S39 PolarHBondContact O-OG 3.16Å; V34-V42 HydrophobicContact CG1-CG2 4.23Å; V34-V42 HydrophobicContact CG2-CG1 4.07Å; V34-S90 CarbonylContact O-C 3.52Å; V34-S90 WeakPolarHBondContact O-CA 3.38Å; V34-S90 WeakPolarHBondContact O-CB 3.35Å; V34-C91 PolarHBondContact N-O 3.05Å; V34-C91 PolarHBondContact O-N 3.34Å; V34-L109 HydrophobicContact CG2-CD2 4.13Å
35	S	98.1	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.2	179.3	-175.2	0	0	0	0	110.1	T16 I17 T86 E88	T16-S35 CarbonylContact C-O 3.3Å; T16-S35 WeakPolarHBondContact CA-O 3.4Å; T16-S35 WeakPolarHBondContact CG2-O 3.43Å; I17-S35 PolarHBondContact N-O 3.32Å; I17-S35 PolarHBondContact O-N 3.08Å; S35-T86 WeakPolarHBondContact OG-CB 3.39Å; S35-T86 WeakPolarHBondContact OG-CG2 2.97Å; S35-T86 PolarHBondContact OG-OG1 2.88Å; S35-E88 PolarHBondContact OG-OE2 2.95Å
36	G	96.6	Very high	97.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	129.7	-179.9	-178.9	0	0	0	0	0	113.1	K38 S39 D89	G36-K38 PolarHBondContact O-N 2.85Å; G36-K38 VanDerWaalsContact O-N 3.12Å; G36-S39 PolarHBondContact N-OG 2.69Å; G36-S39 WeakPolarHBondContact O-CB 3.4Å; G36-S39 PolarHBondContact O-N 2.6Å; G36-S39 VanDerWaalsContact O-N 3.08Å; G36-S39 PolarHBondContact O-OG 2.81Å; G36-D89 PolarHBondContact N-O 3.01Å
37	P	95.5	Very high	97.6	Very high	85 Å²	85	33.4 Å²	33.4	55%	0.552	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.1	-171.3	25.1	-35.7	0	0	0	114.5	S15 T16	S15-P37 WeakPolarHBondContact OG-CG 3.34Å; T16-P37 WeakPolarHBondContact OG1-CD 3.47Å
38	K	96.7	Very high	97.6	Very high	63 Å²	63	36 Å²	36	27%	0.274	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.2	177.8	-59.1	-69.1	-174.3	166	0	113.5	T16 G36 R40 H41 V42 E114 L115	T16-K38 HydrophobicContact CG2-CB 4.03Å; T16-K38 WeakPolarHBondContact OG1-CB 3.2Å; T16-K38 PolarHBondContact OG1-N 2.77Å; G36-K38 PolarHBondContact O-N 2.85Å; G36-K38 VanDerWaalsContact O-N 3.12Å; K38-R40 VanDerWaalsContact C-N 3.3Å; K38-R40 PolarHBondContact O-N 3.23Å; K38-H41 CarbonylContact O-C 3.48Å; K38-H41 WeakPolarHBondContact O-CA 3.38Å; K38-H41 WeakPolarHBondContact O-CB 3.44Å; K38-H41 PolarHBondContact O-N 3.02Å; K38-V42 HydrophobicContact CB-CG2 4.44Å; K38-V42 WeakPolarHBondContact O-CG2 3.39Å; K38-V42 PolarHBondContact O-N 2.74Å; K38-E114 VanDerWaalsContact CE-CD 3.42Å; K38-E114 WeakPolarHBondContact CE-OE1 3.25Å; K38-E114 IonicContact NZ-OE1 3.12Å; K38-E114 PolarHBondContact NZ-OE1 3.12Å; K38-L115 HydrophobicContact CB-CD1 3.72Å; K38-L115 HydrophobicContact CG-CD1 4.1Å
39	S	97.6	Very high	97.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-53.3	-43.4	-175.6	-60.4	0	0	0	0	113.8	V34 G36 V42 L43 D89 S90 C91	V34-S39 PolarHBondContact O-OG 3.16Å; G36-S39 PolarHBondContact N-OG 2.69Å; G36-S39 WeakPolarHBondContact O-CB 3.4Å; G36-S39 PolarHBondContact O-N 2.6Å; G36-S39 VanDerWaalsContact O-N 3.08Å; G36-S39 PolarHBondContact O-OG 2.81Å; S39-V42 PolarHBondContact O-N 3.3Å; S39-L43 PolarHBondContact O-N 2.99Å; S39-L43 VanDerWaalsContact O-N 3.12Å; S39-D89 WeakPolarHBondContact CB-O 3.31Å; S39-D89 PolarHBondContact OG-O 3.2Å; S39-S90 VanDerWaalsContact CB-C 3.49Å; S39-S90 WeakPolarHBondContact OG-CA 3.39Å; S39-C91 PolarHBondContact O-SG 3.32Å
40	R	97.3	Very high	97.4	Very high	82 Å²	82	35.7 Å²	35.7	31%	0.309	17%	0.17	S	C	.	.	H	α-helix	trans	-64	-43.1	175.3	-170.2	178.4	-179.3	86.8	2	111.8	K38 L43 T44 N51 P52 Y78	K38-R40 VanDerWaalsContact C-N 3.3Å; K38-R40 PolarHBondContact O-N 3.23Å; R40-L43 PolarHBondContact O-N 3.15Å; R40-T44 VanDerWaalsContact O-CG2 3.27Å; R40-T44 WeakPolarHBondContact O-CG2 3.16Å; R40-T44 PolarHBondContact O-N 3.17Å; R40-T44 PolarHBondContact O-OG1 3.34Å; R40-N51 PolarHBondContact NH2-OD1 3.45Å; R40-P52 HydrophobicContact CG-CG 4.12Å; R40-P52 PolarHBondContact NH1-O 3.22Å; R40-P52 PolarHBondContact NH2-O 2.7Å; R40-Y78 HydrophobicContact CB-CD2 4.15Å; R40-Y78 HydrophobicContact CB-CE2 3.76Å; R40-Y78 HydrophobicContact CG-CD2 4.48Å; R40-Y78 HydrophobicContact CG-CE2 4.29Å; R40-Y78 VanDerWaalsContact NH1-CE1 3.32Å
41	H	97.1	Very high	97.2	Very high	97 Å²	97	40.8 Å²	40.8	45%	0.449	20%	0.198	S	C	.	.	H	α-helix	trans	-60.4	-47.6	177.4	173.5	70.1	0	0	0	111.1	K38 L43 T44 S45	K38-H41 CarbonylContact O-C 3.48Å; K38-H41 WeakPolarHBondContact O-CA 3.38Å; K38-H41 WeakPolarHBondContact O-CB 3.44Å; K38-H41 PolarHBondContact O-N 3.02Å; H41-L43 PolarHBondContact O-N 2.83Å; H41-T44 CarbonylContact O-C 3.58Å; H41-T44 PolarHBondContact O-N 3.37Å; H41-T44 VanDerWaalsContact O-N 3.14Å; H41-T44 PolarHBondContact O-OG1 2.96Å; H41-S45 VanDerWaalsContact O-CB 3.3Å; H41-S45 WeakPolarHBondContact O-CB 3.46Å; H41-S45 PolarHBondContact O-N 2.84Å; H41-S45 PolarHBondContact O-OG 2.8Å
42	V	98.4	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.5	-50.5	178	173.6	0	0	0	0	111.5	V34 K38 S39 T44 S45 M46 L109 I112 L115	V34-V42 HydrophobicContact CG1-CG2 4.23Å; V34-V42 HydrophobicContact CG2-CG1 4.07Å; K38-V42 HydrophobicContact CB-CG2 4.44Å; K38-V42 WeakPolarHBondContact O-CG2 3.39Å; K38-V42 PolarHBondContact O-N 2.74Å; S39-V42 PolarHBondContact O-N 3.3Å; V42-T44 VanDerWaalsContact C-N 3.34Å; V42-T44 PolarHBondContact O-N 3.29Å; V42-S45 PolarHBondContact O-N 3.16Å; V42-S45 PolarHBondContact O-OG 2.84Å; V42-S45 VanDerWaalsContact O-OG 3.1Å; V42-M46 HydrophobicContact CG1-SD 4.05Å; V42-M46 WeakPolarHBondContact O-CB 3.37Å; V42-M46 PolarHBondContact O-N 3.17Å; V42-M46 VanDerWaalsContact O-N 3.08Å; V42-L109 HydrophobicContact CG1-CD2 3.39Å; V42-I112 HydrophobicContact CB-CD1 4.4Å; V42-I112 HydrophobicContact CG1-CD1 4.17Å; V42-I112 HydrophobicContact CG2-CD1 3.96Å; V42-I112 HydrophobicContact CG2-CG2 4.48Å; V42-L115 HydrophobicContact CG2-CD1 3.99Å; V42-L115 HydrophobicContact CG2-CD2 3.37Å; V42-L115 HydrophobicContact CG2-CG 4.19Å
43	L	98.5	Very high	97.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-49.2	177.1	-172.8	153	0	0	0	110.4	S39 R40 H41 S45 T47 C49 P52 A76 V77 C91	S39-L43 PolarHBondContact O-N 2.99Å; S39-L43 VanDerWaalsContact O-N 3.12Å; R40-L43 PolarHBondContact O-N 3.15Å; H41-L43 PolarHBondContact O-N 2.83Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 3.01Å; L43-T47 HydrophobicContact CG-CG2 4.35Å; L43-T47 VanDerWaalsContact O-CB 3.23Å; L43-T47 WeakPolarHBondContact O-CB 3.3Å; L43-T47 VanDerWaalsContact O-CG2 3.25Å; L43-T47 WeakPolarHBondContact O-CG2 3.3Å; L43-T47 PolarHBondContact O-N 3.44Å; L43-T47 PolarHBondContact O-OG1 3.45Å; L43-C49 HydrophobicContact CD2-CB 3.82Å; L43-P52 HydrophobicContact CD1-CB 4.41Å; L43-P52 HydrophobicContact CD2-CB 3.73Å; L43-P52 HydrophobicContact CD2-CG 3.88Å; L43-A76 HydrophobicContact CD1-CB 3.91Å; L43-A76 HydrophobicContact CG-CB 4.1Å; L43-V77 VanDerWaalsContact CD1-C 3.44Å; L43-V77 WeakPolarHBondContact CD1-O 3.47Å; L43-C91 HydrophobicContact CB-CB 4.05Å; L43-C91 HydrophobicContact CD1-CB 3.99Å
44	T	97.9	Very high	97.1	Very high	29 Å²	29	44.6 Å²	44.6	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-69.7	-25.3	-177.2	63.1	0	0	0	0	114.5	R40 H41 V42 C49 R50 P52	R40-T44 VanDerWaalsContact O-CG2 3.27Å; R40-T44 WeakPolarHBondContact O-CG2 3.16Å; R40-T44 PolarHBondContact O-N 3.17Å; R40-T44 PolarHBondContact O-OG1 3.34Å; H41-T44 CarbonylContact O-C 3.58Å; H41-T44 PolarHBondContact O-N 3.37Å; H41-T44 VanDerWaalsContact O-N 3.14Å; H41-T44 PolarHBondContact O-OG1 2.96Å; V42-T44 VanDerWaalsContact C-N 3.34Å; V42-T44 PolarHBondContact O-N 3.29Å; T44-C49 WeakPolarHBondContact CA-O 3.37Å; T44-C49 WeakPolarHBondContact CG2-O 3.49Å; T44-R50 PolarHBondContact O-NH1 3.41Å; T44-P52 HydrophobicContact CG2-CG 4.03Å
45	S	97.5	Very high	97	Very high	18 Å²	18	52.2 Å²	52.2	13%	0.126	25%	0.25	C	C	.	.	H	α-helix	trans	-84.4	-32.1	-177.6	70.6	0	0	0	0	112.4	H41 V42 L43 K68	H41-S45 VanDerWaalsContact O-CB 3.3Å; H41-S45 WeakPolarHBondContact O-CB 3.46Å; H41-S45 PolarHBondContact O-N 2.84Å; H41-S45 PolarHBondContact O-OG 2.8Å; V42-S45 PolarHBondContact O-N 3.16Å; V42-S45 PolarHBondContact O-OG 2.84Å; V42-S45 VanDerWaalsContact O-OG 3.1Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 3.01Å; S45-K68 PolarHBondContact O-NZ 3.38Å
46	M	98.5	Very high	97	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-97.8	-12.6	-178.9	-63.7	-172.7	69.3	0	0	113.9	V42 I62 R63 P65 L71 L93 V105 A108 L109 I112	V42-M46 HydrophobicContact CG1-SD 4.05Å; V42-M46 WeakPolarHBondContact O-CB 3.37Å; V42-M46 PolarHBondContact O-N 3.17Å; V42-M46 VanDerWaalsContact O-N 3.08Å; M46-I62 HydrophobicContact CE-CG2 4.24Å; M46-I62 CarbonylContact O-C 3.52Å; M46-I62 WeakPolarHBondContact O-CA 3.27Å; M46-R63 WeakPolarHBondContact CA-O 3.45Å; M46-R63 WeakPolarHBondContact CB-O 3.45Å; M46-R63 PolarHBondContact O-N 3.42Å; M46-P65 HydrophobicContact CG-CB 4.15Å; M46-P65 HydrophobicContact CG-CG 4.47Å; M46-L71 HydrophobicContact CE-CD1 4.06Å; M46-L93 HydrophobicContact CE-CD1 4.38Å; M46-L93 HydrophobicContact SD-CD1 4.35Å; M46-V105 HydrophobicContact CE-CG1 4.3Å; M46-A108 HydrophobicContact CE-CB 3.89Å; M46-L109 HydrophobicContact CE-CD2 4.43Å; M46-L109 HydrophobicContact CE-CG 4.32Å; M46-L109 HydrophobicContact SD-CD2 3.46Å; M46-L109 WeakPolarHBondContact SD-CD2 3.37Å; M46-L109 HydrophobicContact SD-CG 3.96Å; M46-I112 HydrophobicContact CG-CD1 4.17Å; M46-I112 HydrophobicContact SD-CD1 3.96Å
47	T	98.3	Very high	97.1	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.031	29%	0.293	C	S	.	.	S	Bend	trans	-118.6	172.4	-179.3	74.7	0	0	0	0	111.8	L43 C49 R50 T60 A76 L93	L43-T47 HydrophobicContact CG-CG2 4.35Å; L43-T47 VanDerWaalsContact O-CB 3.23Å; L43-T47 WeakPolarHBondContact O-CB 3.3Å; L43-T47 VanDerWaalsContact O-CG2 3.25Å; L43-T47 WeakPolarHBondContact O-CG2 3.3Å; L43-T47 PolarHBondContact O-N 3.44Å; L43-T47 PolarHBondContact O-OG1 3.45Å; T47-C49 VanDerWaalsContact C-N 3.25Å; T47-C49 WeakPolarHBondContact OG1-CB 3.39Å; T47-C49 PolarHBondContact OG1-N 3.23Å; T47-C49 VanDerWaalsContact OG1-N 3.11Å; T47-R50 PolarHBondContact O-NH1 3.03Å; T47-T60 VanDerWaalsContact CB-OG1 3.27Å; T47-T60 WeakPolarHBondContact CB-OG1 3.41Å; T47-T60 HydrophobicContact CG2-CG2 3.78Å; T47-A76 HydrophobicContact CG2-CB 3.84Å; T47-L93 HydrophobicContact CG2-CD2 4.29Å
48	N	94.1	Very high	97.2	Very high	96 Å²	96	60 Å²	60	51%	0.513	27%	0.273	S	S	.	.	S	Bend	trans	-81.6	-3.7	168.2	66.2	-3.6	0	0	0	112.7	R50 T60	N48-R50 PolarHBondContact O-N 3.14Å; N48-T60 PolarHBondContact N-OG1 3.45Å; N48-T60 WeakPolarHBondContact OD1-CB 3.32Å; N48-T60 PolarHBondContact OD1-OG1 2.88Å
49	C	94.9	Very high	97.3	Very high	12 Å²	12	61.8 Å²	61.8	8%	0.081	29%	0.291	C	S	.	.			trans	-81.1	102.9	-179	-171.4	0	0	0	0	111.1	L43 T44 T47	L43-C49 HydrophobicContact CD2-CB 3.82Å; T44-C49 WeakPolarHBondContact CA-O 3.37Å; T44-C49 WeakPolarHBondContact CG2-O 3.49Å; T47-C49 VanDerWaalsContact C-N 3.25Å; T47-C49 WeakPolarHBondContact OG1-CB 3.39Å; T47-C49 PolarHBondContact OG1-N 3.23Å; T47-C49 VanDerWaalsContact OG1-N 3.11Å
50	R	94.5	Very high	97.3	Very high	176 Å²	176	62.2 Å²	62.2	66%	0.664	29%	0.294	S	S	*	.	S	Bend	trans	-83.6	-28.7	-177.6	-57.5	-55.3	-178.8	-154.3	-4.4	114.3	T44 T47 N48	T44-R50 PolarHBondContact O-NH1 3.41Å; T47-R50 PolarHBondContact O-NH1 3.03Å; N48-R50 PolarHBondContact O-N 3.14Å
51	N	96	Very high	97.3	Very high	108 Å²	108	60.3 Å²	60.3	58%	0.578	29%	0.29	S	S	*	.	S	Bend	trans	-130.6	74.4	179.6	-171.6	24.9	0	0	0	110.9	R40 L53	R40-N51 PolarHBondContact NH2-OD1 3.45Å; N51-L53 PolarHBondContact O-N 2.82Å; N51-L53 VanDerWaalsContact O-N 3.16Å
52	P	96.7	Very high	97.4	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-68	116.2	-178.2	29.3	-36.9	0	0	0	110.6	R40 L43 T44 Y58 Y78	R40-P52 HydrophobicContact CG-CG 4.12Å; R40-P52 PolarHBondContact NH1-O 3.22Å; R40-P52 PolarHBondContact NH2-O 2.7Å; L43-P52 HydrophobicContact CD1-CB 4.41Å; L43-P52 HydrophobicContact CD2-CB 3.73Å; L43-P52 HydrophobicContact CD2-CG 3.88Å; T44-P52 HydrophobicContact CG2-CG 4.03Å; P52-Y58 HydrophobicContact CB-CE2 4.42Å; P52-Y78 HydrophobicContact CB-CG 4.44Å; P52-Y78 HydrophobicContact CG-CG 4.45Å
53	L	97.6	Very high	97.4	Very high	86 Å²	86	60 Å²	60	45%	0.45	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-69.9	146.4	166.6	-57.1	179.2	0	0	0	110.7	N51 R55 R56 Y58	N51-L53 PolarHBondContact O-N 2.82Å; N51-L53 VanDerWaalsContact O-N 3.16Å; L53-R55 PolarHBondContact O-N 2.81Å; L53-R56 HydrophobicContact CB-CB 4.25Å; L53-R56 PolarHBondContact O-N 3.12Å; L53-Y58 WeakPolarHBondContact CB-OH 3.39Å; L53-Y58 PolarHBondContact N-OH 2.92Å
54	N	98.1	Very high	97.5	Very high	77 Å²	77	61.8 Å²	61.8	41%	0.412	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-58	133.6	177.4	-172.7	28	0	0	0	110.8	R56 K80	N54-R56 PolarHBondContact O-N 3.43Å; N54-R56 VanDerWaalsContact O-N 3.17Å; N54-K80 HydrophobicContact CB-CB 4.31Å; N54-K80 PolarHBondContact OD1-N 3.21Å
55	R	97.4	Very high	97.4	Very high	160 Å²	160	61.2 Å²	61.2	60%	0.604	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	27.5	175	-65.4	173.4	174.3	-122.5	0.8	114.6	L53 Y78 L79 A83	L53-R55 PolarHBondContact O-N 2.81Å; R55-Y78 PolarHBondContact N-O 3.09Å; R55-L79 HydrophobicContact CG-CD2 3.73Å; R55-A83 PolarHBondContact NH2-O 3.43Å
56	R	98.2	Very high	97.4	Very high	140 Å²	140	65.8 Å²	65.8	53%	0.528	31%	0.311	S	S	.	.			trans	-107.4	127.7	170.2	-173.6	164.8	179.2	-169	5	109.9	L53 N54 Y58	L53-R56 HydrophobicContact CB-CB 4.25Å; L53-R56 PolarHBondContact O-N 3.12Å; N54-R56 PolarHBondContact O-N 3.43Å; N54-R56 VanDerWaalsContact O-N 3.17Å; R56-Y58 HydrophobicContact CB-CE2 3.8Å; R56-Y58 WeakPolarHBondContact CD-OH 3.39Å; R56-Y58 HydrophobicContact CG-CE1 4.04Å; R56-Y58 HydrophobicContact CG-CE2 3.91Å; R56-Y58 WeakPolarHBondContact O-CD2 3.4Å; R56-Y58 WeakPolarHBondContact O-CE2 3.28Å
57	L	98.2	Very high	97.3	Very high	74 Å²	74	69.8 Å²	69.8	39%	0.387	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.6	177.1	-167.5	66.1	0	0	0	109.4	M75 V77	L57-M75 HydrophobicContact CB-CE 4.41Å; L57-M75 HydrophobicContact CD1-CB 3.77Å; L57-M75 HydrophobicContact CD2-CB 4.36Å; L57-M75 HydrophobicContact CD2-CE 3.52Å; L57-M75 HydrophobicContact CD2-SD 3.5Å; L57-M75 VanDerWaalsContact CD2-SD 3.5Å; L57-M75 HydrophobicContact CG-CB 3.91Å; L57-M75 HydrophobicContact CG-CE 3.58Å; L57-M75 HydrophobicContact CG-SD 3.92Å; L57-V77 HydrophobicContact CD1-CB 3.8Å; L57-V77 HydrophobicContact CD1-CG1 4.03Å
58	Y	97.8	Very high	97.3	Very high	35 Å²	35	74.5 Å²	74.5	14%	0.137	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128	-177.5	-61.4	-89.8	0	0	0	110.3	P52 L53 R56 T60 M75 A76	P52-Y58 HydrophobicContact CB-CE2 4.42Å; L53-Y58 WeakPolarHBondContact CB-OH 3.39Å; L53-Y58 PolarHBondContact N-OH 2.92Å; R56-Y58 HydrophobicContact CB-CE2 3.8Å; R56-Y58 WeakPolarHBondContact CD-OH 3.39Å; R56-Y58 HydrophobicContact CG-CE1 4.04Å; R56-Y58 HydrophobicContact CG-CE2 3.91Å; R56-Y58 WeakPolarHBondContact O-CD2 3.4Å; R56-Y58 WeakPolarHBondContact O-CE2 3.28Å; Y58-T60 PolarHBondContact O-N 3.19Å; Y58-M75 CarbonylContact O-C 3.52Å; Y58-M75 WeakPolarHBondContact O-CA 3.1Å; Y58-M75 WeakPolarHBondContact O-CB 3.09Å; Y58-A76 PolarHBondContact N-O 3.05Å; Y58-A76 PolarHBondContact O-N 2.85Å
59	P	98.1	Very high	97.5	Very high	100 Å²	100	71.5 Å²	71.5	65%	0.649	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.9	163	29.6	-32.2	0	0	0	109	G74	P59-G74 WeakPolarHBondContact CA-O 3.21Å
60	T	98	Very high	97.7	Very high	10 Å²	10	74.7 Å²	74.7	6%	0.061	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	152.6	-174.6	-175.6	0	0	0	0	112.3	T47 N48 Y58 I62 G74 A76	T47-T60 VanDerWaalsContact CB-OG1 3.27Å; T47-T60 WeakPolarHBondContact CB-OG1 3.41Å; T47-T60 HydrophobicContact CG2-CG2 3.78Å; N48-T60 PolarHBondContact N-OG1 3.45Å; N48-T60 WeakPolarHBondContact OD1-CB 3.32Å; N48-T60 PolarHBondContact OD1-OG1 2.88Å; Y58-T60 PolarHBondContact O-N 3.19Å; T60-I62 HydrophobicContact CG2-CG1 4.06Å; T60-G74 PolarHBondContact N-O 3.25Å; T60-G74 PolarHBondContact O-N 2.59Å; T60-A76 HydrophobicContact CG2-CB 3.89Å
61	D	98.5	Very high	97.9	Very high	42 Å²	42	68.1 Å²	68.1	23%	0.225	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	128.5	154.9	-73.9	-6.9	0	0	0	108.6	R63 L70 R73	D61-R63 HydrophobicContact CB-CG 4.27Å; D61-R63 IonicContact OD2-CZ 3.94Å; D61-R63 IonicContact OD2-NE 3.31Å; D61-R63 IonicContact OD2-NH2 3.05Å; D61-R63 PolarHBondContact OD2-NH2 3.26Å; D61-L70 HydrophobicContact CB-CD1 3.58Å; D61-R73 IonicContact OD1-NE 3.29Å
62	I	98.7	Very high	98	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.9	171	-62.2	167.1	0	0	0	107	M46 T60 L71 D72 L93 V95 V105	M46-I62 HydrophobicContact CE-CG2 4.24Å; M46-I62 CarbonylContact O-C 3.52Å; M46-I62 WeakPolarHBondContact O-CA 3.27Å; T60-I62 HydrophobicContact CG2-CG1 4.06Å; I62-L71 WeakPolarHBondContact O-CB 3.36Å; I62-L71 PolarHBondContact O-N 3.17Å; I62-D72 PolarHBondContact N-O 3.26Å; I62-D72 PolarHBondContact O-N 2.9Å; I62-L93 HydrophobicContact CD1-CB 4.26Å; I62-L93 HydrophobicContact CG2-CD1 4.49Å; I62-V95 HydrophobicContact CD1-CG1 3.43Å; I62-V95 VanDerWaalsContact CD1-CG1 3.43Å; I62-V105 HydrophobicContact CG2-CG2 4.27Å
63	R	98.8	Very high	98.1	Very high	89 Å²	89	71.8 Å²	71.8	34%	0.336	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.6	-169.6	-66.8	177.6	176	-86.8	-4.4	111.1	M46 D61 K68 G69 L70	M46-R63 WeakPolarHBondContact CA-O 3.45Å; M46-R63 WeakPolarHBondContact CB-O 3.45Å; M46-R63 PolarHBondContact O-N 3.42Å; D61-R63 HydrophobicContact CB-CG 4.27Å; D61-R63 IonicContact OD2-CZ 3.94Å; D61-R63 IonicContact OD2-NE 3.31Å; D61-R63 IonicContact OD2-NH2 3.05Å; D61-R63 PolarHBondContact OD2-NH2 3.26Å; R63-K68 PolarHBondContact NH1-O 2.78Å; R63-K68 VanDerWaalsContact NH1-O 3.07Å; R63-G69 CarbonylContact C-O 3.53Å; R63-G69 WeakPolarHBondContact CA-O 3.19Å; R63-G69 WeakPolarHBondContact CB-O 3.48Å; R63-L70 HydrophobicContact CG-CD1 4.26Å
64	H	98.6	Very high	98.1	Very high	39 Å²	39	68.6 Å²	68.6	18%	0.181	34%	0.34	C	S	.	.			trans	-60.3	132.2	174.5	-170.1	-75.2	0	0	0	110.3	I66 S67 K68 G69 L71	H64-I66 VanDerWaalsContact C-N 3.28Å; H64-I66 PolarHBondContact ND1-N 2.85Å; H64-I66 VanDerWaalsContact ND1-N 3.13Å; H64-I66 PolarHBondContact O-N 3.05Å; H64-S67 VanDerWaalsContact CB-OG 3.3Å; H64-S67 WeakPolarHBondContact CB-OG 3.12Å; H64-S67 PolarHBondContact ND1-N 3.15Å; H64-S67 PolarHBondContact ND1-OG 3.4Å; H64-K68 VanDerWaalsContact O-CA 3.23Å; H64-K68 WeakPolarHBondContact O-CA 3.21Å; H64-K68 PolarHBondContact O-N 3.45Å; H64-G69 PolarHBondContact N-O 3.32Å; H64-L71 HydrophobicContact CB-CD1 4.38Å; H64-L71 HydrophobicContact CB-CD2 4.27Å; H64-L71 HydrophobicContact CB-CG 4.39Å
65	P	97.5	Very high	98.1	Very high	17 Å²	17	68.1 Å²	68.1	11%	0.11	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.3	-171.7	24.9	-33.8	0	0	0	113.1	M46 K68 A108 Q111 I112	M46-P65 HydrophobicContact CG-CB 4.15Å; M46-P65 HydrophobicContact CG-CG 4.47Å; P65-K68 WeakPolarHBondContact O-CE 3.43Å; P65-K68 PolarHBondContact O-NZ 2.91Å; P65-A108 VanDerWaalsContact CG-O 3.31Å; P65-A108 WeakPolarHBondContact CG-O 3.36Å; P65-Q111 HydrophobicContact CG-CB 4.49Å; P65-I112 HydrophobicContact CB-CD1 4.04Å; P65-I112 HydrophobicContact CB-CG1 3.92Å; P65-I112 HydrophobicContact CG-CD1 4.07Å; P65-I112 HydrophobicContact CG-CG1 3.69Å
66	I	96.3	Very high	98.2	Very high	113 Å²	113	60.5 Å²	60.5	58%	0.579	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-69.6	177.7	-54.1	174.8	0	0	0	111.6	H64 K68 Q111	H64-I66 VanDerWaalsContact C-N 3.28Å; H64-I66 PolarHBondContact ND1-N 2.85Å; H64-I66 VanDerWaalsContact ND1-N 3.13Å; H64-I66 PolarHBondContact O-N 3.05Å; I66-K68 PolarHBondContact O-N 3.08Å; I66-Q111 HydrophobicContact CD1-CB 3.93Å
67	S	97.5	Very high	98.2	Very high	85 Å²	85	54.5 Å²	54.5	59%	0.594	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.2	-175.1	66.8	0	0	0	0	115.5	H64 G69	H64-S67 VanDerWaalsContact CB-OG 3.3Å; H64-S67 WeakPolarHBondContact CB-OG 3.12Å; H64-S67 PolarHBondContact ND1-N 3.15Å; H64-S67 PolarHBondContact ND1-OG 3.4Å; S67-G69 PolarHBondContact O-N 3.28Å; S67-G69 PolarHBondContact OG-N 3Å
68	K	97.3	Very high	98.2	Very high	104 Å²	104	51.5 Å²	51.5	45%	0.452	27%	0.27	S	S	.	.			trans	60.3	9.7	-175.1	-50.8	-51.8	-171.9	-173.8	0	115.3	S45 R63 H64 P65 I66	S45-K68 PolarHBondContact O-NZ 3.38Å; R63-K68 PolarHBondContact NH1-O 2.78Å; R63-K68 VanDerWaalsContact NH1-O 3.07Å; H64-K68 VanDerWaalsContact O-CA 3.23Å; H64-K68 WeakPolarHBondContact O-CA 3.21Å; H64-K68 PolarHBondContact O-N 3.45Å; P65-K68 WeakPolarHBondContact O-CE 3.43Å; P65-K68 PolarHBondContact O-NZ 2.91Å; I66-K68 PolarHBondContact O-N 3.08Å
69	G	98.4	Very high	98.3	Very high	33 Å²	33	51.5 Å²	51.5	34%	0.34	27%	0.272	S	S	.	.			trans	-59.6	142.5	172.1	0	0	0	0	0	111.5	R63 H64 S67 L71	R63-G69 CarbonylContact C-O 3.53Å; R63-G69 WeakPolarHBondContact CA-O 3.19Å; R63-G69 WeakPolarHBondContact CB-O 3.48Å; H64-G69 PolarHBondContact N-O 3.32Å; S67-G69 PolarHBondContact O-N 3.28Å; S67-G69 PolarHBondContact OG-N 3Å; G69-L71 PolarHBondContact O-N 3.02Å
70	L	98.6	Very high	98.2	Very high	79 Å²	79	52.2 Å²	52.2	41%	0.414	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	126.7	176.9	-174.9	69.9	0	0	0	109.7	D61 R63 D72 R73	D61-L70 HydrophobicContact CB-CD1 3.58Å; R63-L70 HydrophobicContact CG-CD1 4.26Å; L70-D72 WeakPolarHBondContact CD1-O 3.49Å; L70-R73 HydrophobicContact CD1-CG 4.41Å; L70-R73 HydrophobicContact CD2-CG 4.4Å
71	L	98.6	Very high	98	Very high	39 Å²	39	52.6 Å²	52.6	20%	0.204	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-44.7	175.1	-57.9	176.5	0	0	0	110.5	M46 I62 H64 G69 D104 V105 A108	M46-L71 HydrophobicContact CE-CD1 4.06Å; I62-L71 WeakPolarHBondContact O-CB 3.36Å; I62-L71 PolarHBondContact O-N 3.17Å; H64-L71 HydrophobicContact CB-CD1 4.38Å; H64-L71 HydrophobicContact CB-CD2 4.27Å; H64-L71 HydrophobicContact CB-CG 4.39Å; G69-L71 PolarHBondContact O-N 3.02Å; L71-D104 HydrophobicContact CD2-CB 4.47Å; L71-V105 HydrophobicContact CB-CG2 4.08Å; L71-V105 HydrophobicContact CD1-CG2 4.15Å; L71-A108 HydrophobicContact CD1-CB 3.5Å; L71-A108 VanDerWaalsContact CD1-CB 3.5Å
72	D	98.6	Very high	97.8	Very high	18 Å²	18	55.9 Å²	55.9	10%	0.096	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	167	179.7	-165.1	21.3	0	0	0	111.6	I62 L70 V95 H96 V101	I62-D72 PolarHBondContact N-O 3.26Å; I62-D72 PolarHBondContact O-N 2.9Å; L70-D72 WeakPolarHBondContact CD1-O 3.49Å; D72-V95 WeakPolarHBondContact OD2-CA 3.43Å; D72-V95 VanDerWaalsContact OD2-CB 3.25Å; D72-V95 WeakPolarHBondContact OD2-CB 3.11Å; D72-H96 IonicContact OD1-CE1 3.09Å; D72-H96 IonicContact OD1-CG 3.78Å; D72-H96 IonicContact OD1-ND1 2.78Å; D72-H96 PolarHBondContact OD1-ND1 2.89Å; D72-H96 IonicContact OD2-CG 3.66Å; D72-H96 PolarHBondContact OD2-N 2.92Å; D72-H96 IonicContact OD2-ND1 3.93Å; D72-H96 PolarHBondContact OD2-ND1 3.28Å; D72-V101 HydrophobicContact CB-CG1 3.8Å
73	R	98.6	Very high	97.5	Very high	167 Å²	167	59 Å²	59	63%	0.63	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.4	165.8	-64.4	-176	177.8	150	1.8	108.5	D61 L70 H96	D61-R73 IonicContact OD1-NE 3.29Å; L70-R73 HydrophobicContact CD1-CG 4.41Å; L70-R73 HydrophobicContact CD2-CG 4.4Å; R73-H96 PolarHBondContact O-CE1 3.11Å; R73-H96 PolarHBondContact O-ND1 2.8Å
74	G	97.9	Very high	97.3	Very high	19 Å²	19	55.8 Å²	55.8	20%	0.196	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	-144.6	-172.9	0	0	0	0	0	111.5	P59 T60 H94	P59-G74 WeakPolarHBondContact CA-O 3.21Å; T60-G74 PolarHBondContact N-O 3.25Å; T60-G74 PolarHBondContact O-N 2.59Å; G74-H94 CarbonylContact C-O 3.55Å; G74-H94 VanDerWaalsContact CA-O 3.27Å; G74-H94 WeakPolarHBondContact CA-O 3.46Å
75	M	98.7	Very high	96.9	Very high	68 Å²	68	57.8 Å²	57.8	34%	0.335	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	157.1	177.5	-50.4	-175.8	86.8	0	0	111.5	L57 Y58 H94	L57-M75 HydrophobicContact CB-CE 4.41Å; L57-M75 HydrophobicContact CD1-CB 3.77Å; L57-M75 HydrophobicContact CD2-CB 4.36Å; L57-M75 HydrophobicContact CD2-CE 3.52Å; L57-M75 HydrophobicContact CD2-SD 3.5Å; L57-M75 VanDerWaalsContact CD2-SD 3.5Å; L57-M75 HydrophobicContact CG-CB 3.91Å; L57-M75 HydrophobicContact CG-CE 3.58Å; L57-M75 HydrophobicContact CG-SD 3.92Å; Y58-M75 CarbonylContact O-C 3.52Å; Y58-M75 WeakPolarHBondContact O-CA 3.1Å; Y58-M75 WeakPolarHBondContact O-CB 3.09Å; M75-H94 HydrophobicContact CB-CB 4.1Å; M75-H94 PolarHBondContact N-O 3Å; M75-H94 PolarHBondContact O-N 3.36Å
76	A	98.8	Very high	96.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	146.6	173.8	0	0	0	0	0	111.2	L43 T47 Y58 T60 E92 L93	L43-A76 HydrophobicContact CD1-CB 3.91Å; L43-A76 HydrophobicContact CG-CB 4.1Å; T47-A76 HydrophobicContact CG2-CB 3.84Å; Y58-A76 PolarHBondContact N-O 3.05Å; Y58-A76 PolarHBondContact O-N 2.85Å; T60-A76 HydrophobicContact CG2-CB 3.89Å; A76-E92 VanDerWaalsContact CA-O 3.27Å; A76-E92 WeakPolarHBondContact CA-O 3.42Å; A76-L93 HydrophobicContact CB-CD2 3.98Å
77	V	98.7	Very high	96.6	Very high	13 Å²	13	52.6 Å²	52.6	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.8	176.2	55.2	0	0	0	0	110.3	L43 L57 L79 C91 E92	L43-V77 VanDerWaalsContact CD1-C 3.44Å; L43-V77 WeakPolarHBondContact CD1-O 3.47Å; L57-V77 HydrophobicContact CD1-CB 3.8Å; L57-V77 HydrophobicContact CD1-CG1 4.03Å; V77-L79 HydrophobicContact CG2-CD2 3.92Å; V77-L79 HydrophobicContact CG2-CG 4.31Å; V77-C91 CarbonylContact O-C 3.56Å; V77-C91 WeakPolarHBondContact O-CA 3.25Å; V77-C91 WeakPolarHBondContact O-CB 3.23Å; V77-E92 HydrophobicContact CG1-CB 3.76Å; V77-E92 HydrophobicContact CG1-CG 4.33Å; V77-E92 PolarHBondContact N-O 3.36Å; V77-E92 PolarHBondContact O-N 2.92Å
78	Y	98.7	Very high	96.5	Very high	11 Å²	11	51 Å²	51	4%	0.043	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136	168.6	172.9	-117.2	0	0	0	109.7	R40 P52 R55 K80 D89 S90	R40-Y78 HydrophobicContact CB-CD2 4.15Å; R40-Y78 HydrophobicContact CB-CE2 3.76Å; R40-Y78 HydrophobicContact CG-CD2 4.48Å; R40-Y78 HydrophobicContact CG-CE2 4.29Å; R40-Y78 VanDerWaalsContact NH1-CE1 3.32Å; P52-Y78 HydrophobicContact CB-CG 4.44Å; P52-Y78 HydrophobicContact CG-CG 4.45Å; R55-Y78 PolarHBondContact N-O 3.09Å; Y78-K80 HydrophobicContact CE1-CB 3.98Å; Y78-K80 HydrophobicContact CE1-CG 4.46Å; Y78-D89 HydrophobicContact CE2-CB 4.22Å; Y78-D89 VanDerWaalsContact OH-CG 3.23Å; Y78-D89 PolarHBondContact OH-OD2 3.15Å; Y78-S90 VanDerWaalsContact CD2-O 3.3Å; Y78-S90 WeakPolarHBondContact CD2-O 3.11Å
79	L	98.5	Very high	96.5	Very high	35 Å²	35	48.3 Å²	48.3	18%	0.183	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	112.5	-179.6	-59.7	172.9	0	0	0	107.7	R55 V77 T84 S90 E92	R55-L79 HydrophobicContact CG-CD2 3.73Å; V77-L79 HydrophobicContact CG2-CD2 3.92Å; V77-L79 HydrophobicContact CG2-CG 4.31Å; L79-T84 HydrophobicContact CB-CG2 3.82Å; L79-S90 WeakPolarHBondContact CB-OG 3.27Å; L79-S90 PolarHBondContact N-O 3.44Å; L79-S90 PolarHBondContact O-N 2.72Å; L79-S90 VanDerWaalsContact O-O 3.1Å; L79-E92 HydrophobicContact CD1-CG 4.42Å
80	K	97.2	Very high	96.5	Very high	116 Å²	116	46.9 Å²	46.9	50%	0.504	25%	0.254	S	S	.	.			trans	-82.1	131.2	-179.9	-167.4	-174.4	173.8	-179.1	0	110.4	N54 Y78 T84 D89	N54-K80 HydrophobicContact CB-CB 4.31Å; N54-K80 PolarHBondContact OD1-N 3.21Å; Y78-K80 HydrophobicContact CE1-CB 3.98Å; Y78-K80 HydrophobicContact CE1-CG 4.46Å; K80-T84 WeakPolarHBondContact O-CG2 3.17Å; K80-D89 WeakPolarHBondContact CA-OD1 3.46Å
81	G	94.7	Very high	96.5	Very high	17 Å²	17	43.1 Å²	43.1	18%	0.175	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	164.2	169.5	0	0	0	0	0	112.3	A83 D89	G81-A83 VanDerWaalsContact C-N 3.34Å; G81-D89 PolarHBondContact N-OD1 3.07Å
82	P	93.6	Very high	96.5	Very high	112 Å²	112	42.4 Å²	42.4	73%	0.727	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	cis	-83.9	-0.7	-0.6	34.5	-35.9	0	0	0	114.3	T84 G87	P82-T84 PolarHBondContact O-N 3.37Å; P82-G87 WeakPolarHBondContact CA-O 3.49Å; P82-G87 WeakPolarHBondContact O-CA 3.27Å
83	A	92	Very high	96.5	Very high	64 Å²	64	41.6 Å²	41.6	53%	0.529	23%	0.225	S	C	.	.	S	Bend	trans	-81.8	53	-177.7	0	0	0	0	0	112.5	R55 G81	R55-A83 PolarHBondContact NH2-O 3.43Å; G81-A83 VanDerWaalsContact C-N 3.34Å
84	T	94	Very high	96.5	Very high	23 Å²	23	35.5 Å²	35.5	14%	0.141	20%	0.204	C	C	.	.	S	Bend	trans	-133.6	167.5	179.3	63.7	0	0	0	0	109.8	L79 K80 P82 T86 G87 E88	L79-T84 HydrophobicContact CB-CG2 3.82Å; K80-T84 WeakPolarHBondContact O-CG2 3.17Å; P82-T84 PolarHBondContact O-N 3.37Å; T84-T86 PolarHBondContact O-N 3.1Å; T84-G87 PolarHBondContact O-N 2.83Å; T84-G87 VanDerWaalsContact O-N 3.15Å; T84-G87 WeakPolarHBondContact OG1-CA 3.39Å; T84-G87 PolarHBondContact OG1-N 3.08Å; T84-E88 WeakPolarHBondContact CB-O 3.33Å; T84-E88 VanDerWaalsContact CG2-O 3.3Å; T84-E88 WeakPolarHBondContact CG2-O 3.33Å; T84-E88 PolarHBondContact OG1-N 2.72Å; T84-E88 VanDerWaalsContact OG1-N 3.16Å; T84-E88 PolarHBondContact OG1-O 3.26Å
85	F	91.9	Very high	96.5	Very high	80 Å²	80	34.8 Å²	34.8	35%	0.351	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.3	-178.4	-178.4	-107	0	0	0	113.5	F123 E127	F85-F123 HydrophobicContact CD1-CB 4.07Å; F85-F123 HydrophobicContact CE1-CB 3.85Å; F85-E127 HydrophobicContact CE2-CG 4.47Å; F85-E127 WeakPolarHBondContact O-CA 3.46Å
86	T	93.5	Very high	96.5	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	2.4	-178.7	53.6	0	0	0	0	113.1	S35 T84 E88 F123 R126	S35-T86 WeakPolarHBondContact OG-CB 3.39Å; S35-T86 WeakPolarHBondContact OG-CG2 2.97Å; S35-T86 PolarHBondContact OG-OG1 2.88Å; T84-T86 PolarHBondContact O-N 3.1Å; T86-E88 PolarHBondContact O-N 3.31Å; T86-E88 PolarHBondContact OG1-N 3.13Å; T86-F123 HydrophobicContact CG2-CB 4.16Å; T86-F123 HydrophobicContact CG2-CD1 3.98Å; T86-R126 CarbonylContact C-O 3.53Å; T86-R126 VanDerWaalsContact C-O 3.3Å; T86-R126 WeakPolarHBondContact CA-O 3.44Å; T86-R126 HydrophobicContact CG2-CB 4Å
87	G	93.6	Very high	96.5	Very high	18 Å²	18	36.5 Å²	36.5	19%	0.186	20%	0.203	C	C	.	.	S	Bend	trans	65.6	-4.2	-166.2	0	0	0	0	0	115	P82 T84	P82-G87 WeakPolarHBondContact CA-O 3.49Å; P82-G87 WeakPolarHBondContact O-CA 3.27Å; T84-G87 PolarHBondContact O-N 2.83Å; T84-G87 VanDerWaalsContact O-N 3.15Å; T84-G87 WeakPolarHBondContact OG1-CA 3.39Å; T84-G87 PolarHBondContact OG1-N 3.08Å
88	E	95.1	Very high	96.4	Very high	53 Å²	53	38 Å²	38	25%	0.248	21%	0.214	C	C	.	.	S	Bend	trans	-97	161.4	-179.5	-58.1	178	116.3	0	0	111.5	S35 T84 T86 S90 R126	S35-E88 PolarHBondContact OG-OE2 2.95Å; T84-E88 WeakPolarHBondContact CB-O 3.33Å; T84-E88 VanDerWaalsContact CG2-O 3.3Å; T84-E88 WeakPolarHBondContact CG2-O 3.33Å; T84-E88 PolarHBondContact OG1-N 2.72Å; T84-E88 VanDerWaalsContact OG1-N 3.16Å; T84-E88 PolarHBondContact OG1-O 3.26Å; T86-E88 PolarHBondContact O-N 3.31Å; T86-E88 PolarHBondContact OG1-N 3.13Å; E88-S90 PolarHBondContact O-N 3.18Å; E88-R126 IonicContact OE1-NH1 2.72Å; E88-R126 PolarHBondContact OE1-NH1 2.99Å; E88-R126 VanDerWaalsContact OE1-NH1 3.12Å; E88-R126 VanDerWaalsContact OE2-CD 3.25Å; E88-R126 WeakPolarHBondContact OE2-CD 3.19Å; E88-R126 IonicContact OE2-CZ 3.57Å; E88-R126 IonicContact OE2-NE 2.76Å; E88-R126 IonicContact OE2-NH1 2.7Å; E88-R126 PolarHBondContact OE2-NH1 3.12Å
89	D	97	Very high	96.3	Very high	46 Å²	46	44 Å²	44	25%	0.246	24%	0.243	C	C	.	.			trans	-56.1	132.1	162	-84.7	9.6	0	0	0	109.8	G36 S39 Y78 K80 G81	G36-D89 PolarHBondContact N-O 3.01Å; S39-D89 WeakPolarHBondContact CB-O 3.31Å; S39-D89 PolarHBondContact OG-O 3.2Å; Y78-D89 HydrophobicContact CE2-CB 4.22Å; Y78-D89 VanDerWaalsContact OH-CG 3.23Å; Y78-D89 PolarHBondContact OH-OD2 3.15Å; K80-D89 WeakPolarHBondContact CA-OD1 3.46Å; G81-D89 PolarHBondContact N-OD1 3.07Å
90	S	98	Very high	96.3	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	160.2	-179.7	44.7	0	0	0	0	111.6	V34 S39 Y78 L79 E88	V34-S90 CarbonylContact O-C 3.52Å; V34-S90 WeakPolarHBondContact O-CA 3.38Å; V34-S90 WeakPolarHBondContact O-CB 3.35Å; S39-S90 VanDerWaalsContact CB-C 3.49Å; S39-S90 WeakPolarHBondContact OG-CA 3.39Å; Y78-S90 VanDerWaalsContact CD2-O 3.3Å; Y78-S90 WeakPolarHBondContact CD2-O 3.11Å; L79-S90 WeakPolarHBondContact CB-OG 3.27Å; L79-S90 PolarHBondContact N-O 3.44Å; L79-S90 PolarHBondContact O-N 2.72Å; L79-S90 VanDerWaalsContact O-O 3.1Å; E88-S90 PolarHBondContact O-N 3.18Å
91	C	98.7	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.3	165.4	72.2	0	0	0	0	110.1	V34 S39 L43 V77	V34-C91 PolarHBondContact N-O 3.05Å; V34-C91 PolarHBondContact O-N 3.34Å; S39-C91 PolarHBondContact O-SG 3.32Å; L43-C91 HydrophobicContact CB-CB 4.05Å; L43-C91 HydrophobicContact CD1-CB 3.99Å; V77-C91 CarbonylContact O-C 3.56Å; V77-C91 WeakPolarHBondContact O-CA 3.25Å; V77-C91 WeakPolarHBondContact O-CB 3.23Å
92	E	98.7	Very high	96.5	Very high	25 Å²	25	40 Å²	40	12%	0.117	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.7	175.2	-59.6	-175.9	163.1	0	0	110	V31 I32 R33 A76 V77 L79 H94	V31-E92 HydrophobicContact CG1-CB 3.93Å; V31-E92 HydrophobicContact CG1-CG 4.11Å; I32-E92 WeakPolarHBondContact O-CA 3.17Å; R33-E92 HydrophobicContact CB-CG 4.49Å; R33-E92 HydrophobicContact CG-CG 4.39Å; R33-E92 IonicContact CZ-OE1 3.76Å; R33-E92 VanDerWaalsContact CZ-OE1 3.31Å; R33-E92 IonicContact NE-OE1 2.8Å; R33-E92 PolarHBondContact NE-OE1 2.82Å; R33-E92 IonicContact NH2-OE1 3.75Å; R33-E92 PolarHBondContact NH2-OE1 2.88Å; A76-E92 VanDerWaalsContact CA-O 3.27Å; A76-E92 WeakPolarHBondContact CA-O 3.42Å; V77-E92 HydrophobicContact CG1-CB 3.76Å; V77-E92 HydrophobicContact CG1-CG 4.33Å; V77-E92 PolarHBondContact N-O 3.36Å; V77-E92 PolarHBondContact O-N 2.92Å; L79-E92 HydrophobicContact CD1-CG 4.42Å; E92-H94 IonicContact OE2-NE2 3.57Å; E92-H94 PolarHBondContact OE2-NE2 2.86Å; E92-H94 VanDerWaalsContact OE2-NE2 3.09Å
93	L	98.8	Very high	96.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116	171	-56.1	179.6	0	0	0	107.5	V31 I32 M46 T47 I62 A76 V95 V105	V31-L93 WeakPolarHBondContact CA-O 3.39Å; I32-L93 HydrophobicContact CB-CB 4.47Å; I32-L93 PolarHBondContact N-O 2.91Å; I32-L93 PolarHBondContact O-N 3.49Å; M46-L93 HydrophobicContact CE-CD1 4.38Å; M46-L93 HydrophobicContact SD-CD1 4.35Å; T47-L93 HydrophobicContact CG2-CD2 4.29Å; I62-L93 HydrophobicContact CD1-CB 4.26Å; I62-L93 HydrophobicContact CG2-CD1 4.49Å; A76-L93 HydrophobicContact CB-CD2 3.98Å; L93-V95 HydrophobicContact CB-CG1 4.43Å; L93-V105 HydrophobicContact CD1-CG1 3.91Å
94	H	98.7	Very high	97.1	Very high	40 Å²	40	42 Å²	42	19%	0.185	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	105.3	178.8	-65.1	-160.7	0	0	0	107	I29 A30 G74 M75 E92	I29-H94 HydrophobicContact CG2-CB 4.17Å; A30-H94 WeakPolarHBondContact O-CA 3.46Å; G74-H94 CarbonylContact C-O 3.55Å; G74-H94 VanDerWaalsContact CA-O 3.27Å; G74-H94 WeakPolarHBondContact CA-O 3.46Å; M75-H94 HydrophobicContact CB-CB 4.1Å; M75-H94 PolarHBondContact N-O 3Å; M75-H94 PolarHBondContact O-N 3.36Å; E92-H94 IonicContact OE2-NE2 3.57Å; E92-H94 PolarHBondContact OE2-NE2 2.86Å; E92-H94 VanDerWaalsContact OE2-NE2 3.09Å
95	V	98.7	Very high	97.3	Very high	3 Å²	3	41 Å²	41	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	163.6	-171.5	-64.6	0	0	0	0	110.6	I29 A30 I32 I62 D72 L93 G97 V101 I102 V105	I29-V95 CarbonylContact C-O 3.6Å; I29-V95 WeakPolarHBondContact CA-O 3.23Å; A30-V95 HydrophobicContact CB-CG2 4Å; A30-V95 PolarHBondContact N-O 3.3Å; A30-V95 WeakPolarHBondContact O-CG2 3.3Å; A30-V95 PolarHBondContact O-N 3.47Å; I32-V95 HydrophobicContact CD1-CG2 4.26Å; I62-V95 HydrophobicContact CD1-CG1 3.43Å; I62-V95 VanDerWaalsContact CD1-CG1 3.43Å; D72-V95 WeakPolarHBondContact OD2-CA 3.43Å; D72-V95 VanDerWaalsContact OD2-CB 3.25Å; D72-V95 WeakPolarHBondContact OD2-CB 3.11Å; L93-V95 HydrophobicContact CB-CG1 4.43Å; V95-G97 PolarHBondContact O-N 2.78Å; V95-V101 HydrophobicContact CB-CG1 3.79Å; V95-V101 HydrophobicContact CG1-CG1 4.36Å; V95-V101 HydrophobicContact CG2-CG1 4.13Å; V95-I102 HydrophobicContact CG2-CG1 4.35Å; V95-V105 HydrophobicContact CG1-CG2 4.2Å
96	H	98.3	Very high	97.6	Very high	103 Å²	103	38.7 Å²	38.7	48%	0.477	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	130.6	165.6	-67.2	92.5	0	0	0	109.7	D72 R73 S98 V101	D72-H96 IonicContact OD1-CE1 3.09Å; D72-H96 IonicContact OD1-CG 3.78Å; D72-H96 IonicContact OD1-ND1 2.78Å; D72-H96 PolarHBondContact OD1-ND1 2.89Å; D72-H96 IonicContact OD2-CG 3.66Å; D72-H96 PolarHBondContact OD2-N 2.92Å; D72-H96 IonicContact OD2-ND1 3.93Å; D72-H96 PolarHBondContact OD2-ND1 3.28Å; R73-H96 PolarHBondContact O-CE1 3.11Å; R73-H96 PolarHBondContact O-ND1 2.8Å; H96-S98 PolarHBondContact O-N 2.76Å; H96-V101 WeakPolarHBondContact O-CG1 3.47Å
97	G	97.7	Very high	97.8	Very high	1 Å²	1	41 Å²	41	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	31.3	-173.6	0	0	0	0	0	114.9	P26 S27 V95	P26-G97 WeakPolarHBondContact CA-O 3.47Å; S27-G97 PolarHBondContact N-O 3.06Å; S27-G97 VanDerWaalsContact N-O 3.13Å; S27-G97 CarbonylContact O-C 3.53Å; S27-G97 WeakPolarHBondContact O-CA 3.47Å; S27-G97 PolarHBondContact O-N 2.89Å; V95-G97 PolarHBondContact O-N 2.78Å
98	S	97.5	Very high	98.1	Very high	46 Å²	46	40.2 Å²	40.2	32%	0.322	21%	0.212	S	C	.	.			trans	-77.1	145.7	171.4	81.5	0	0	0	0	110.6	H96 A100 V101 I102	H96-S98 PolarHBondContact O-N 2.76Å; S98-A100 PolarHBondContact O-N 2.87Å; S98-V101 PolarHBondContact O-N 3.2Å; S98-V101 VanDerWaalsContact OG-CB 3.32Å; S98-V101 WeakPolarHBondContact OG-CB 3.19Å; S98-V101 WeakPolarHBondContact OG-CG2 3.44Å; S98-V101 PolarHBondContact OG-N 3.01Å; S98-V101 VanDerWaalsContact OG-N 3.12Å; S98-I102 WeakPolarHBondContact O-CG1 3.48Å; S98-I102 PolarHBondContact O-N 3.05Å
99	Q	96.8	Very high	98.2	Very high	136 Å²	136	37.7 Å²	37.7	64%	0.636	20%	0.201	S	C	*	.	H	α-helix	trans	-60.7	-35.4	177.9	-66.7	-178.7	2.9	0	0	112.2	V25 R103	V25-Q99 HydrophobicContact CG2-CG 4.39Å; Q99-R103 VanDerWaalsContact O-CB 3.26Å; Q99-R103 WeakPolarHBondContact O-CB 3.46Å; Q99-R103 PolarHBondContact O-N 3.26Å
100	A	97.7	Very high	98.2	Very high	45 Å²	45	42.6 Å²	42.6	37%	0.372	22%	0.216	S	C	.	.	H	α-helix	trans	-63.7	-50.7	177.9	0	0	0	0	0	111.4	S98 I102 R103 D104	S98-A100 PolarHBondContact O-N 2.87Å; A100-I102 PolarHBondContact O-N 3.24Å; A100-R103 PolarHBondContact O-N 3.49Å; A100-D104 WeakPolarHBondContact O-CB 3.3Å; A100-D104 PolarHBondContact O-N 2.89Å
101	V	98.5	Very high	98.2	Very high	22 Å²	22	47.3 Å²	47.3	13%	0.133	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-47.3	178.3	168.2	0	0	0	0	111.2	D72 V95 H96 S98 R103 D104 V105	D72-V101 HydrophobicContact CB-CG1 3.8Å; V95-V101 HydrophobicContact CB-CG1 3.79Å; V95-V101 HydrophobicContact CG1-CG1 4.36Å; V95-V101 HydrophobicContact CG2-CG1 4.13Å; H96-V101 WeakPolarHBondContact O-CG1 3.47Å; S98-V101 PolarHBondContact O-N 3.2Å; S98-V101 VanDerWaalsContact OG-CB 3.32Å; S98-V101 WeakPolarHBondContact OG-CB 3.19Å; S98-V101 WeakPolarHBondContact OG-CG2 3.44Å; S98-V101 PolarHBondContact OG-N 3.01Å; S98-V101 VanDerWaalsContact OG-N 3.12Å; V101-R103 PolarHBondContact O-N 3.44Å; V101-D104 PolarHBondContact O-N 3.49Å; V101-V105 HydrophobicContact CG1-CG2 4.31Å; V101-V105 WeakPolarHBondContact O-CB 3.33Å; V101-V105 VanDerWaalsContact O-CG2 3.3Å; V101-V105 WeakPolarHBondContact O-CG2 3.5Å; V101-V105 PolarHBondContact O-N 3.44Å
102	I	98.6	Very high	98	Very high	17 Å²	17	48 Å²	48	9%	0.087	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-46.2	-179.6	-66.1	165.9	0	0	0	110.7	L20 V25 A30 I32 V95 S98 A100 D104 V105 C106	L20-I102 HydrophobicContact CD1-CD1 4.03Å; L20-I102 HydrophobicContact CD1-CG1 4.4Å; L20-I102 HydrophobicContact CD1-CG2 4.24Å; L20-I102 HydrophobicContact CD2-CD1 4.4Å; L20-I102 HydrophobicContact CD2-CG2 4.45Å; V25-I102 HydrophobicContact CB-CD1 4.23Å; V25-I102 HydrophobicContact CG1-CD1 3.48Å; V25-I102 VanDerWaalsContact CG1-CD1 3.48Å; A30-I102 HydrophobicContact CB-CD1 3.75Å; A30-I102 HydrophobicContact CB-CG1 4.08Å; I32-I102 HydrophobicContact CD1-CG2 4.44Å; V95-I102 HydrophobicContact CG2-CG1 4.35Å; S98-I102 WeakPolarHBondContact O-CG1 3.48Å; S98-I102 PolarHBondContact O-N 3.05Å; A100-I102 PolarHBondContact O-N 3.24Å; I102-D104 PolarHBondContact O-N 2.76Å; I102-V105 PolarHBondContact O-N 2.97Å; I102-C106 WeakPolarHBondContact O-CB 3.47Å; I102-C106 PolarHBondContact O-N 3.32Å; I102-C106 PolarHBondContact O-SG 2.95Å
103	R	98.2	Very high	97.8	Very high	155 Å²	155	54.8 Å²	54.8	59%	0.585	27%	0.273	S	S	*	.	H	α-helix	trans	-59.7	-47.2	177.4	-179.1	-164.9	64	-148.2	-6.6	111	Q99 A100 V101 C106 A107	Q99-R103 VanDerWaalsContact O-CB 3.26Å; Q99-R103 WeakPolarHBondContact O-CB 3.46Å; Q99-R103 PolarHBondContact O-N 3.26Å; A100-R103 PolarHBondContact O-N 3.49Å; V101-R103 PolarHBondContact O-N 3.44Å; R103-C106 PolarHBondContact O-N 2.76Å; R103-A107 VanDerWaalsContact O-CB 3.31Å; R103-A107 WeakPolarHBondContact O-CB 3.42Å; R103-A107 PolarHBondContact O-N 3.12Å
104	D	98.7	Very high	97.6	Very high	64 Å²	64	58.9 Å²	58.9	34%	0.342	29%	0.293	S	S	.	.	H	α-helix	trans	-69.3	-36.8	-174.8	-63.8	-4.9	0	0	0	111.2	L71 A100 V101 I102 A108	L71-D104 HydrophobicContact CD2-CB 4.47Å; A100-D104 WeakPolarHBondContact O-CB 3.3Å; A100-D104 PolarHBondContact O-N 2.89Å; V101-D104 PolarHBondContact O-N 3.49Å; I102-D104 PolarHBondContact O-N 2.76Å; D104-A108 WeakPolarHBondContact O-CB 3.31Å; D104-A108 PolarHBondContact O-N 3.34Å
105	V	98.8	Very high	97.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.3	-43.5	173	175.4	0	0	0	0	111.7	I32 M46 I62 L71 L93 V95 V101 I102 A107 A108 L109	I32-V105 HydrophobicContact CD1-CB 3.82Å; I32-V105 HydrophobicContact CD1-CG1 3.52Å; M46-V105 HydrophobicContact CE-CG1 4.3Å; I62-V105 HydrophobicContact CG2-CG2 4.27Å; L71-V105 HydrophobicContact CB-CG2 4.08Å; L71-V105 HydrophobicContact CD1-CG2 4.15Å; L93-V105 HydrophobicContact CD1-CG1 3.91Å; V95-V105 HydrophobicContact CG1-CG2 4.2Å; V101-V105 HydrophobicContact CG1-CG2 4.31Å; V101-V105 WeakPolarHBondContact O-CB 3.33Å; V101-V105 VanDerWaalsContact O-CG2 3.3Å; V101-V105 WeakPolarHBondContact O-CG2 3.5Å; V101-V105 PolarHBondContact O-N 3.44Å; I102-V105 PolarHBondContact O-N 2.97Å; V105-A107 VanDerWaalsContact C-N 3.35Å; V105-A107 PolarHBondContact O-N 2.84Å; V105-A108 WeakPolarHBondContact O-CB 3.32Å; V105-A108 PolarHBondContact O-N 3.36Å; V105-L109 HydrophobicContact CG1-CD1 4.2Å; V105-L109 WeakPolarHBondContact O-CG 3.27Å; V105-L109 PolarHBondContact O-N 2.92Å
106	C	98.5	Very high	97.3	Very high	33 Å²	33	59.3 Å²	59.3	22%	0.223	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-40.2	175.2	-75.3	0	0	0	0	112.3	F18 I102 R103 A108 L109 Y110	F18-C106 HydrophobicContact CE2-CB 4.09Å; I102-C106 WeakPolarHBondContact O-CB 3.47Å; I102-C106 PolarHBondContact O-N 3.32Å; I102-C106 PolarHBondContact O-SG 2.95Å; R103-C106 PolarHBondContact O-N 2.76Å; C106-A108 VanDerWaalsContact C-N 3.33Å; C106-L109 PolarHBondContact O-N 3.48Å; C106-Y110 PolarHBondContact O-N 2.83Å
107	A	98.4	Very high	97.2	Very high	52 Å²	52	57.7 Å²	57.7	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-40.4	174.9	0	0	0	0	0	111.4	R103 V105 Y110	R103-A107 VanDerWaalsContact O-CB 3.31Å; R103-A107 WeakPolarHBondContact O-CB 3.42Å; R103-A107 PolarHBondContact O-N 3.12Å; V105-A107 VanDerWaalsContact C-N 3.35Å; V105-A107 PolarHBondContact O-N 2.84Å; A107-Y110 WeakPolarHBondContact O-CB 3.42Å; A107-Y110 PolarHBondContact O-N 2.86Å
108	A	98.7	Very high	97.2	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-66	-40.4	175.4	0	0	0	0	0	112.6	M46 P65 L71 D104 V105 C106 Y110 Q111	M46-A108 HydrophobicContact CE-CB 3.89Å; P65-A108 VanDerWaalsContact CG-O 3.31Å; P65-A108 WeakPolarHBondContact CG-O 3.36Å; L71-A108 HydrophobicContact CD1-CB 3.5Å; L71-A108 VanDerWaalsContact CD1-CB 3.5Å; D104-A108 WeakPolarHBondContact O-CB 3.31Å; D104-A108 PolarHBondContact O-N 3.34Å; V105-A108 WeakPolarHBondContact O-CB 3.32Å; V105-A108 PolarHBondContact O-N 3.36Å; C106-A108 VanDerWaalsContact C-N 3.33Å; A108-Y110 VanDerWaalsContact C-N 3.28Å; A108-Y110 PolarHBondContact O-N 3.07Å; A108-Q111 WeakPolarHBondContact O-CB 3.46Å; A108-Q111 PolarHBondContact O-N 3.19Å; A108-Q111 VanDerWaalsContact O-N 3.15Å
109	L	98.5	Very high	97	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-38.2	174	-76.3	166.7	0	0	0	111.9	F18 I32 V34 V42 M46 V105 C106 Q111 I112 L115	F18-L109 HydrophobicContact CB-CD1 4.25Å; F18-L109 HydrophobicContact CD1-CB 4.09Å; F18-L109 HydrophobicContact CD2-CB 4.01Å; F18-L109 HydrophobicContact CD2-CD1 3.61Å; F18-L109 HydrophobicContact CD2-CG 4.43Å; F18-L109 HydrophobicContact CE1-CB 3.92Å; F18-L109 HydrophobicContact CE2-CB 3.85Å; F18-L109 HydrophobicContact CE2-CD1 4.11Å; F18-L109 HydrophobicContact CG-CB 4.14Å; F18-L109 HydrophobicContact CG-CD1 3.94Å; F18-L109 HydrophobicContact CZ-CB 3.79Å; I32-L109 HydrophobicContact CG2-CD1 3.62Å; V34-L109 HydrophobicContact CG2-CD2 4.13Å; V42-L109 HydrophobicContact CG1-CD2 3.39Å; M46-L109 HydrophobicContact CE-CD2 4.43Å; M46-L109 HydrophobicContact CE-CG 4.32Å; M46-L109 HydrophobicContact SD-CD2 3.46Å; M46-L109 WeakPolarHBondContact SD-CD2 3.37Å; M46-L109 HydrophobicContact SD-CG 3.96Å; V105-L109 HydrophobicContact CG1-CD1 4.2Å; V105-L109 WeakPolarHBondContact O-CG 3.27Å; V105-L109 PolarHBondContact O-N 2.92Å; C106-L109 PolarHBondContact O-N 3.48Å; L109-Q111 PolarHBondContact O-N 2.8Å; L109-I112 HydrophobicContact CD2-CD1 4.41Å; L109-I112 PolarHBondContact O-N 2.78Å; L109-I112 VanDerWaalsContact O-N 3.07Å; L109-L115 HydrophobicContact CD2-CD2 4.11Å
110	Y	96.5	Very high	96.9	Very high	148 Å²	148	61.7 Å²	61.7	58%	0.58	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.7	176.9	-163.8	-95.9	0	0	0	113.5	C106 A107 A108 I112 P117	C106-Y110 PolarHBondContact O-N 2.83Å; A107-Y110 WeakPolarHBondContact O-CB 3.42Å; A107-Y110 PolarHBondContact O-N 2.86Å; A108-Y110 VanDerWaalsContact C-N 3.28Å; A108-Y110 PolarHBondContact O-N 3.07Å; Y110-I112 VanDerWaalsContact C-N 3.3Å; Y110-P117 HydrophobicContact CD2-CG 4.09Å; Y110-P117 HydrophobicContact CE2-CG 4.23Å
111	Q	96.5	Very high	96.6	Very high	103 Å²	103	61.6 Å²	61.6	48%	0.481	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.6	176.1	-58.4	-59.6	-48.4	0	0	113.6	P65 I66 A108 L109	P65-Q111 HydrophobicContact CG-CB 4.49Å; I66-Q111 HydrophobicContact CD1-CB 3.93Å; A108-Q111 WeakPolarHBondContact O-CB 3.46Å; A108-Q111 PolarHBondContact O-N 3.19Å; A108-Q111 VanDerWaalsContact O-N 3.15Å; L109-Q111 PolarHBondContact O-N 2.8Å
112	I	95.9	Very high	96.4	Very high	15 Å²	15	62.5 Å²	62.5	8%	0.077	33%	0.33	C	S	.	.	S	Bend	trans	-91.9	126.8	177.2	-53.8	179.9	0	0	0	108.4	V42 M46 P65 L109 Y110 L115	V42-I112 HydrophobicContact CB-CD1 4.4Å; V42-I112 HydrophobicContact CG1-CD1 4.17Å; V42-I112 HydrophobicContact CG2-CD1 3.96Å; V42-I112 HydrophobicContact CG2-CG2 4.48Å; M46-I112 HydrophobicContact CG-CD1 4.17Å; M46-I112 HydrophobicContact SD-CD1 3.96Å; P65-I112 HydrophobicContact CB-CD1 4.04Å; P65-I112 HydrophobicContact CB-CG1 3.92Å; P65-I112 HydrophobicContact CG-CD1 4.07Å; P65-I112 HydrophobicContact CG-CG1 3.69Å; L109-I112 HydrophobicContact CD2-CD1 4.41Å; L109-I112 PolarHBondContact O-N 2.78Å; L109-I112 VanDerWaalsContact O-N 3.07Å; Y110-I112 VanDerWaalsContact C-N 3.3Å; I112-L115 HydrophobicContact CB-CD1 4.1Å; I112-L115 HydrophobicContact CB-CD2 3.87Å; I112-L115 HydrophobicContact CB-CG 4.39Å; I112-L115 HydrophobicContact CD1-CD2 4.18Å; I112-L115 HydrophobicContact CG1-CD2 4.49Å; I112-L115 HydrophobicContact CG2-CD1 3.68Å; I112-L115 HydrophobicContact CG2-CD2 4.18Å; I112-L115 HydrophobicContact CG2-CG 4.46Å; I112-L115 PolarHBondContact O-N 3.29Å
113	E	93.7	Very high	96.2	Very high	166 Å²	166	62.7 Å²	62.7	78%	0.776	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	145.3	178.2	-64.9	-179.6	178	0	0	112.1	L115	E113-L115 WeakPolarHBondContact O-CD1 3.2Å; E113-L115 PolarHBondContact O-N 2.79Å
114	E	94.4	Very high	95.9	Very high	86 Å²	86	59.2 Å²	59.2	40%	0.402	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	16.3	-179.8	-51.2	173.5	-107.8	0	0	115.3	K38	K38-E114 VanDerWaalsContact CE-CD 3.42Å; K38-E114 WeakPolarHBondContact CE-OE1 3.25Å; K38-E114 IonicContact NZ-OE1 3.12Å; K38-E114 PolarHBondContact NZ-OE1 3.12Å
115	L	95.3	Very high	95.5	Very high	10 Å²	10	63.6 Å²	63.6	5%	0.052	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.3	169.5	-84.3	64.7	0	0	0	111.2	T16 F18 K38 V42 L109 I112 E113	T16-L115 HydrophobicContact CG2-CD1 4.16Å; T16-L115 HydrophobicContact CG2-CG 4.06Å; T16-L115 WeakPolarHBondContact O-CA 3.25Å; F18-L115 HydrophobicContact CD1-CB 4.23Å; F18-L115 HydrophobicContact CD1-CD2 4.41Å; F18-L115 HydrophobicContact CE1-CB 4.36Å; K38-L115 HydrophobicContact CB-CD1 3.72Å; K38-L115 HydrophobicContact CG-CD1 4.1Å; V42-L115 HydrophobicContact CG2-CD1 3.99Å; V42-L115 HydrophobicContact CG2-CD2 3.37Å; V42-L115 HydrophobicContact CG2-CG 4.19Å; L109-L115 HydrophobicContact CD2-CD2 4.11Å; I112-L115 HydrophobicContact CB-CD1 4.1Å; I112-L115 HydrophobicContact CB-CD2 3.87Å; I112-L115 HydrophobicContact CB-CG 4.39Å; I112-L115 HydrophobicContact CD1-CD2 4.18Å; I112-L115 HydrophobicContact CG1-CD2 4.49Å; I112-L115 HydrophobicContact CG2-CD1 3.68Å; I112-L115 HydrophobicContact CG2-CD2 4.18Å; I112-L115 HydrophobicContact CG2-CG 4.46Å; I112-L115 PolarHBondContact O-N 3.29Å; E113-L115 WeakPolarHBondContact O-CD1 3.2Å; E113-L115 PolarHBondContact O-N 2.79Å
116	T	96.1	Very high	94.9	Very high	42 Å²	42	66.1 Å²	66.1	26%	0.258	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	152.1	171.7	57.1	0	0	0	0	112	C14 T16 I17 F18 A118	C14-T116 HydrophobicContact CB-CG2 3.93Å; T16-T116 PolarHBondContact O-N 3.37Å; T16-T116 VanDerWaalsContact O-N 3.08Å; I17-T116 CarbonylContact C-O 3.49Å; I17-T116 WeakPolarHBondContact CA-O 3.33Å; F18-T116 WeakPolarHBondContact CD1-O 3.31Å; F18-T116 PolarHBondContact N-O 2.72Å; T116-A118 PolarHBondContact O-N 3.5Å
117	P	97.2	Very high	94.2	Very high	69 Å²	69	68.7 Å²	68.7	45%	0.448	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	138.5	168.8	-23.3	34.3	0	0	0	110.7	F18 Y110	F18-P117 HydrophobicContact CE1-CG 4.34Å; F18-P117 HydrophobicContact CZ-CG 3.99Å; F18-P117 CarbonylContact O-C 3.49Å; F18-P117 WeakPolarHBondContact O-CA 3.3Å; Y110-P117 HydrophobicContact CD2-CG 4.09Å; Y110-P117 HydrophobicContact CE2-CG 4.23Å
118	A	96.4	Very high	92.8	Very high	19 Å²	19	70.9 Å²	70.9	16%	0.157	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-73.8	135.1	175.2	0	0	0	0	0	110.3	I17 F18 A19 T116 Q122 F123	I17-A118 HydrophobicContact CB-CB 4.05Å; I17-A118 HydrophobicContact CD1-CB 3.98Å; I17-A118 HydrophobicContact CG1-CB 4.35Å; F18-A118 PolarHBondContact O-N 2.91Å; A19-A118 HydrophobicContact CB-CB 3.83Å; T116-A118 PolarHBondContact O-N 3.5Å; A118-Q122 VanDerWaalsContact CA-OE1 3.22Å; A118-Q122 HydrophobicContact CB-CB 4.34Å; A118-F123 HydrophobicContact CB-CE2 4.16Å; A118-F123 HydrophobicContact CB-CZ 4.14Å
119	E	94.6	Very high	90.8	Very high	122 Å²	122	81.4 Å²	81.4	57%	0.57	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-67.6	157.7	168.3	-66.1	-177.9	177.2	0	0	111.1	G121 Q122	E119-G121 PolarHBondContact O-N 3.07Å; E119-G121 VanDerWaalsContact O-N 3.17Å; E119-Q122 HydrophobicContact CB-CB 4.12Å; E119-Q122 WeakPolarHBondContact O-CB 3.32Å; E119-Q122 PolarHBondContact O-N 3.44Å
120	P	93.4	Very high	90.4	Very high	126 Å²	126	85.5 Å²	85.5	82%	0.818	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	124.3	172.4	-27.4	35.9	0	0	0	112	Q122	P120-Q122 PolarHBondContact O-N 3.44Å
121	G	92.3	Very high	90.1	Very high	44 Å²	44	82.2 Å²	82.2	45%	0.454	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	5.5	-178.3	0	0	0	0	0	115.3	E119 F123 T124 K125	E119-G121 PolarHBondContact O-N 3.07Å; E119-G121 VanDerWaalsContact O-N 3.17Å; G121-F123 VanDerWaalsContact C-N 3.35Å; G121-F123 PolarHBondContact O-N 3.27Å; G121-T124 WeakPolarHBondContact O-CB 3.49Å; G121-T124 PolarHBondContact O-N 2.92Å; G121-T124 VanDerWaalsContact O-N 3.15Å; G121-K125 WeakPolarHBondContact O-CG 3.33Å; G121-K125 PolarHBondContact O-N 2.99Å
122	Q	93.7	Very high	89.8	Confident	40 Å²	40	81.1 Å²	81.1	19%	0.187	44%	0.435	C	S	.	.	H	α-helix	trans	-65.3	-34.6	-175.9	-165.2	177.2	11.1	0	0	113.3	I17 A118 E119 P120 T124 K125 R126	I17-Q122 HydrophobicContact CD1-CB 4.13Å; I17-Q122 HydrophobicContact CD1-CG 3.75Å; A118-Q122 VanDerWaalsContact CA-OE1 3.22Å; A118-Q122 HydrophobicContact CB-CB 4.34Å; E119-Q122 HydrophobicContact CB-CB 4.12Å; E119-Q122 WeakPolarHBondContact O-CB 3.32Å; E119-Q122 PolarHBondContact O-N 3.44Å; P120-Q122 PolarHBondContact O-N 3.44Å; Q122-T124 VanDerWaalsContact C-N 3.35Å; Q122-K125 PolarHBondContact O-N 2.78Å; Q122-R126 WeakPolarHBondContact O-CG 3.07Å; Q122-R126 PolarHBondContact O-N 3.05Å
123	F	94.6	Very high	89.4	Confident	22 Å²	22	84.9 Å²	84.9	10%	0.096	46%	0.457	C	S	.	.	H	α-helix	trans	-61.3	-44.7	172.4	-67	-56.2	0	0	0	111.4	I17 A19 R33 F85 T86 A118 G121 K125 R126 E127	I17-F123 HydrophobicContact CD1-CD1 3.66Å; I17-F123 HydrophobicContact CD1-CE1 3.74Å; I17-F123 HydrophobicContact CD1-CG 4.47Å; I17-F123 HydrophobicContact CG1-CD1 4.11Å; I17-F123 HydrophobicContact CG1-CE1 3.69Å; A19-F123 HydrophobicContact CB-CE2 3.98Å; A19-F123 HydrophobicContact CB-CZ 4.46Å; R33-F123 HydrophobicContact CB-CE2 4.25Å; R33-F123 HydrophobicContact CB-CZ 4.01Å; R33-F123 HydrophobicContact CG-CE1 4.25Å; R33-F123 HydrophobicContact CG-CZ 4.04Å; F85-F123 HydrophobicContact CD1-CB 4.07Å; F85-F123 HydrophobicContact CE1-CB 3.85Å; T86-F123 HydrophobicContact CG2-CB 4.16Å; T86-F123 HydrophobicContact CG2-CD1 3.98Å; A118-F123 HydrophobicContact CB-CE2 4.16Å; A118-F123 HydrophobicContact CB-CZ 4.14Å; G121-F123 VanDerWaalsContact C-N 3.35Å; G121-F123 PolarHBondContact O-N 3.27Å; F123-K125 VanDerWaalsContact C-N 3.32Å; F123-K125 PolarHBondContact O-N 2.84Å; F123-R126 CarbonylContact O-C 3.52Å; F123-R126 WeakPolarHBondContact O-CA 3.4Å; F123-R126 WeakPolarHBondContact O-CB 3.26Å; F123-R126 PolarHBondContact O-N 3.49Å; F123-E127 PolarHBondContact O-N 3.33Å
124	T	92.4	Very high	89.1	Confident	81 Å²	81	79.9 Å²	79.9	50%	0.497	44%	0.437	S	S	.	.	H	α-helix	trans	-64.2	-36.7	177.6	-50.8	0	0	0	0	111.6	G121 Q122 R126 E127	G121-T124 WeakPolarHBondContact O-CB 3.49Å; G121-T124 PolarHBondContact O-N 2.92Å; G121-T124 VanDerWaalsContact O-N 3.15Å; Q122-T124 VanDerWaalsContact C-N 3.35Å; T124-R126 PolarHBondContact O-N 3.32Å; T124-R126 VanDerWaalsContact O-N 3.17Å; T124-E127 WeakPolarHBondContact O-CB 3.15Å; T124-E127 PolarHBondContact O-N 3.3Å
125	K	89.9	Confident	88.8	Confident	157 Å²	157	79.5 Å²	79.5	68%	0.683	44%	0.439	S	S	*	.	H	α-helix	trans	-63.5	-18.2	173.1	-68.3	175.3	-174.7	172.3	0	113.4	G121 Q122 F123	G121-K125 WeakPolarHBondContact O-CG 3.33Å; G121-K125 PolarHBondContact O-N 2.99Å; Q122-K125 PolarHBondContact O-N 2.78Å; F123-K125 VanDerWaalsContact C-N 3.32Å; F123-K125 PolarHBondContact O-N 2.84Å
126	R	86.3	Confident	88.3	Confident	52 Å²	52	84.4 Å²	84.4	20%	0.196	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	1.1	174.3	-64	-173.3	-176.9	-161.2	-1.9	112.7	C14 S15 T86 E88 Q122 F123 T124 V128	C14-R126 PolarHBondContact O-NH2 2.67Å; S15-R126 PolarHBondContact O-NH1 3.44Å; T86-R126 CarbonylContact C-O 3.53Å; T86-R126 VanDerWaalsContact C-O 3.3Å; T86-R126 WeakPolarHBondContact CA-O 3.44Å; T86-R126 HydrophobicContact CG2-CB 4Å; E88-R126 IonicContact OE1-NH1 2.72Å; E88-R126 PolarHBondContact OE1-NH1 2.99Å; E88-R126 VanDerWaalsContact OE1-NH1 3.12Å; E88-R126 VanDerWaalsContact OE2-CD 3.25Å; E88-R126 WeakPolarHBondContact OE2-CD 3.19Å; E88-R126 IonicContact OE2-CZ 3.57Å; E88-R126 IonicContact OE2-NE 2.76Å; E88-R126 IonicContact OE2-NH1 2.7Å; E88-R126 PolarHBondContact OE2-NH1 3.12Å; Q122-R126 WeakPolarHBondContact O-CG 3.07Å; Q122-R126 PolarHBondContact O-N 3.05Å; F123-R126 CarbonylContact O-C 3.52Å; F123-R126 WeakPolarHBondContact O-CA 3.4Å; F123-R126 WeakPolarHBondContact O-CB 3.26Å; F123-R126 PolarHBondContact O-N 3.49Å; T124-R126 PolarHBondContact O-N 3.32Å; T124-R126 VanDerWaalsContact O-N 3.17Å; R126-V128 PolarHBondContact O-N 3.13Å
127	E	84	Confident	87.7	Confident	88 Å²	88	87.7 Å²	87.7	41%	0.411	48%	0.483	S	S	.	.			trans	-60.5	130.5	-178.6	-174.3	166.9	-161.1	0	0	110.5	F85 F123 T124	F85-E127 HydrophobicContact CE2-CG 4.47Å; F85-E127 WeakPolarHBondContact O-CA 3.46Å; F123-E127 PolarHBondContact O-N 3.33Å; T124-E127 WeakPolarHBondContact O-CB 3.15Å; T124-E127 PolarHBondContact O-N 3.3Å
128	V	67.8	Low	86.9	Confident	98 Å²	98	89.3 Å²	89.3	59%	0.594	49%	0.485	S	S	*	.			trans	-109	110.6	177.1	-174.8	0	0	0	0	106.4	R126	R126-V128 PolarHBondContact O-N 3.13Å
129	L	57.6	Low	86.1	Confident	222 Å²	222	95.6 Å²	95.6	100%	1.162	52%	0.515	S	S	*	.			trans	-80.7	0	170.9	-67.1	175.6	0	0	0	110.9

Retrieved 129 of 129 residues in 72.1 ms (Link to these results)

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