A0A087YQU9_POEFO Loading...

Histone H1

AlphaFold DB , UniProt , Accession A0A087YQU9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 185 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	P	47.3	Very low	56.7	Low	185 Å²	185	141.9 Å²	141.9	100%	1.201	87%	0.874	S	S	*	*				0	106.3	0	19.1	-34.2	0	0	0	108.7
2	V	43	Very low	57.2	Low	148 Å²	148	147.5 Å²	147.5	90%	0.897	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-93.8	127.5	-174.9	-75.1	0	0	0	0	110.6
3	A	53.8	Low	57.5	Low	103 Å²	103	143.5 Å²	143.5	85%	0.851	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-66.7	128.1	178.5	0	0	0	0	0	110.9
4	A	61.1	Low	58	Low	94 Å²	94	141.4 Å²	141.4	78%	0.777	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-75.2	133	176.6	0	0	0	0	0	110.8
5	P	55.3	Low	58.7	Low	125 Å²	125	144.7 Å²	144.7	81%	0.812	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-76.9	132.7	173.5	30.2	-30.5	0	0	0	110.2
6	A	61.2	Low	58.8	Low	98 Å²	98	142.4 Å²	142.4	81%	0.81	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-57.8	134.6	-179.4	0	0	0	0	0	112.4	A8	A6-A8 PolarHBondContact O-N 3.17Å
7	K	58.5	Low	59.1	Low	211 Å²	211	145.9 Å²	145.9	92%	0.917	85%	0.854	S	S	*	*			trans	-55.5	109.9	172.4	-97.3	175.8	175.1	169.4	0	110.4	A9	K7-A9 PolarHBondContact O-N 2.68Å
8	A	59.3	Low	59.2	Low	95 Å²	95	148.7 Å²	148.7	79%	0.785	85%	0.853	S	S	*	*			trans	-59.4	117.4	167.5	0	0	0	0	0	110	A6 K10	A6-A8 PolarHBondContact O-N 3.17Å; A8-K10 PolarHBondContact O-N 3.44Å
9	A	61.5	Low	59	Low	96 Å²	96	147.6 Å²	147.6	79%	0.793	86%	0.856	S	S	*	*			trans	-60.2	108.4	173.8	0	0	0	0	0	109.4	K7 K11	K7-A9 PolarHBondContact O-N 2.68Å; A9-K11 PolarHBondContact O-N 2.9Å
10	K	61.3	Low	59.4	Low	203 Å²	203	142.7 Å²	142.7	88%	0.883	84%	0.839	S	S	*	*			trans	-56.7	103.6	170.9	-82.8	-178.4	176.9	177.2	0	108.8	A8 K12	A8-K10 PolarHBondContact O-N 3.44Å; K10-K12 PolarHBondContact O-N 3.09Å
11	K	61.5	Low	60.1	Low	203 Å²	203	140.3 Å²	140.3	88%	0.883	83%	0.827	S	S	*	*			trans	-51.8	123.3	167	-80.5	-172.6	174	-178.8	0	108.5	A9 A13	A9-K11 PolarHBondContact O-N 2.9Å; K11-A13 PolarHBondContact O-N 3.1Å
12	K	62.5	Low	62	Low	209 Å²	209	134.7 Å²	134.7	91%	0.909	79%	0.792	S	S	*	*			trans	-62.9	102.6	171	-77.9	-170.3	177.2	-167.4	0	108.3	K10 S14	K10-K12 PolarHBondContact O-N 3.09Å; K12-S14 PolarHBondContact O-N 2.6Å; K12-S14 VanDerWaalsContact O-N 3.1Å
13	A	61.3	Low	64.3	Low	95 Å²	95	128.5 Å²	128.5	79%	0.785	76%	0.755	S	S	*	*			trans	-61.1	112.5	170.4	0	0	0	0	0	109.1	K11 K15	K11-A13 PolarHBondContact O-N 3.1Å; A13-K15 PolarHBondContact O-N 3.22Å
14	S	64.6	Low	66.1	Low	115 Å²	115	124.1 Å²	124.1	80%	0.804	72%	0.72	S	S	*	*			trans	-61.2	113.8	170.4	45.5	0	0	0	0	108.7	K12	K12-S14 PolarHBondContact O-N 2.6Å; K12-S14 VanDerWaalsContact O-N 3.1Å
15	K	68.2	Low	67.5	Low	191 Å²	191	125.4 Å²	125.4	83%	0.83	71%	0.71	S	S	*	*			trans	-54.4	131.5	-176	-154.2	152.5	-170.7	164.1	0	110.1	A13 K17	A13-K15 PolarHBondContact O-N 3.22Å; K15-K17 PolarHBondContact O-N 3.17Å
16	P	61.2	Low	69.3	Low	107 Å²	107	121.6 Å²	121.6	70%	0.695	68%	0.682	S	S	*	*			trans	-59.1	126.4	-178.9	22	-31.8	0	0	0	109.5	K18	P16-K18 PolarHBondContact O-N 2.9Å; P16-K18 VanDerWaalsContact O-N 3.1Å
17	K	62.7	Low	70.8	Confident	202 Å²	202	117 Å²	117	88%	0.878	64%	0.644	S	S	*	*			trans	-57.9	115.8	171.5	-65.6	176.1	-175.6	171.8	0	106.1	K15 S19	K15-K17 PolarHBondContact O-N 3.17Å; K17-S19 PolarHBondContact O-N 3.03Å
18	K	60.9	Low	72.4	Confident	196 Å²	196	109 Å²	109	85%	0.852	61%	0.613	S	S	*	*			trans	-58.5	106	176.3	-122.4	80.5	179.2	175.2	0	106.8	P16 G20	P16-K18 PolarHBondContact O-N 2.9Å; P16-K18 VanDerWaalsContact O-N 3.1Å; K18-G20 PolarHBondContact O-N 3.07Å; K18-G20 VanDerWaalsContact O-N 3.13Å
19	S	56.3	Low	73.9	Confident	128 Å²	128	112 Å²	112	90%	0.895	61%	0.608	S	S	*	*			trans	-78.2	90.7	-178.3	48.1	0	0	0	0	109	K17	K17-S19 PolarHBondContact O-N 3.03Å
20	G	67.2	Low	75.4	Confident	50 Å²	50	108.7 Å²	108.7	52%	0.515	58%	0.578	S	S	.	*	S	Bend	trans	-170.3	153.4	172.3	0	0	0	0	0	109.6	K18 S22	K18-G20 PolarHBondContact O-N 3.07Å; K18-G20 VanDerWaalsContact O-N 3.13Å; G20-S22 PolarHBondContact O-N 3.19Å; G20-S22 VanDerWaalsContact O-N 3.16Å
21	P	74.3	Confident	76.9	Confident	93 Å²	93	99.4 Å²	99.4	60%	0.604	54%	0.539	S	S	*	.			trans	-52.5	125.1	178.7	-22.7	31.2	0	0	0	109.8	L26	P21-L26 HydrophobicContact CB-CD1 4.49Å; P21-L26 HydrophobicContact CB-CD2 3.81Å; P21-L26 HydrophobicContact CB-CG 3.98Å
22	S	87.4	Confident	78.2	Confident	66 Å²	66	92.9 Å²	92.9	46%	0.462	52%	0.522	S	S	.	.			trans	-65.2	145.9	178.4	-175.6	0	0	0	0	109.3	G20 G24 E25 L26	G20-S22 PolarHBondContact O-N 3.19Å; G20-S22 VanDerWaalsContact O-N 3.16Å; S22-G24 PolarHBondContact O-N 3.39Å; S22-E25 PolarHBondContact N-OE2 3.46Å; S22-E25 WeakPolarHBondContact O-CA 3.45Å; S22-E25 WeakPolarHBondContact O-CB 3.43Å; S22-E25 PolarHBondContact O-N 3.17Å; S22-L26 PolarHBondContact O-N 3.21Å
23	V	90	Very high	79.5	Confident	19 Å²	19	87 Å²	87	12%	0.115	51%	0.513	C	S	.	.	H	α-helix	trans	-52.4	-35.2	175.3	-175.7	0	0	0	0	110.7	I27 Y54 V63 A66	V23-I27 HydrophobicContact CG1-CD1 3.95Å; V23-I27 WeakPolarHBondContact O-CD1 3.18Å; V23-I27 WeakPolarHBondContact O-CG1 2.93Å; V23-I27 PolarHBondContact O-N 2.95Å; V23-Y54 HydrophobicContact CG2-CE2 3.74Å; V23-Y54 VanDerWaalsContact CG2-OH 3.24Å; V23-Y54 WeakPolarHBondContact CG2-OH 3.45Å; V23-V63 HydrophobicContact CG1-CG2 4.08Å; V23-A66 HydrophobicContact CB-CB 4.22Å; V23-A66 HydrophobicContact CG1-CB 4Å
24	G	91.2	Very high	80.7	Confident	11 Å²	11	84.8 Å²	84.8	11%	0.113	49%	0.492	C	S	.	.	H	α-helix	trans	-65.4	-40.7	175.8	0	0	0	0	0	113.6	S22 I27 V28	S22-G24 PolarHBondContact O-N 3.39Å; G24-I27 PolarHBondContact O-N 3.18Å; G24-V28 VanDerWaalsContact O-CG2 3.32Å; G24-V28 WeakPolarHBondContact O-CG2 3.41Å; G24-V28 PolarHBondContact O-N 3.05Å
25	E	91.8	Very high	81.5	Confident	121 Å²	121	89 Å²	89	57%	0.565	50%	0.495	S	S	*	.	H	α-helix	trans	-68	-40.5	177.4	-67.8	159.9	-171.8	0	0	111	S22 V28 K29	S22-E25 PolarHBondContact N-OE2 3.46Å; S22-E25 WeakPolarHBondContact O-CA 3.45Å; S22-E25 WeakPolarHBondContact O-CB 3.43Å; S22-E25 PolarHBondContact O-N 3.17Å; E25-V28 PolarHBondContact O-N 3.16Å; E25-K29 WeakPolarHBondContact O-CB 3.1Å; E25-K29 PolarHBondContact O-N 3.46Å
26	L	92.1	Very high	82.4	Confident	45 Å²	45	85.8 Å²	85.8	24%	0.236	48%	0.483	C	S	.	.	H	α-helix	trans	-60.4	-46.5	173.6	-65.7	176.4	0	0	0	111	P21 S22 V28 K29 T30 L49 Y54	P21-L26 HydrophobicContact CB-CD1 4.49Å; P21-L26 HydrophobicContact CB-CD2 3.81Å; P21-L26 HydrophobicContact CB-CG 3.98Å; S22-L26 PolarHBondContact O-N 3.21Å; L26-V28 VanDerWaalsContact C-N 3.35Å; L26-V28 PolarHBondContact O-N 3.47Å; L26-K29 PolarHBondContact O-N 2.96Å; L26-T30 WeakPolarHBondContact O-CB 3.48Å; L26-T30 PolarHBondContact O-N 3.43Å; L26-T30 PolarHBondContact O-OG1 2.99Å; L26-L49 HydrophobicContact CB-CD2 3.57Å; L26-L49 HydrophobicContact CD1-CD2 4.36Å; L26-Y54 HydrophobicContact CD1-CD2 4.24Å
27	I	92.5	Very high	83.6	Confident	0 Å²	0	92.4 Å²	92.4	0%	0	49%	0.494	C	S	.	.	H	α-helix	trans	-59.2	-46.4	176.3	-68.6	159.6	0	0	0	110.8	V23 G24 K29 T30 V31 L45 L49 A66 I67 L70 L76	V23-I27 HydrophobicContact CG1-CD1 3.95Å; V23-I27 WeakPolarHBondContact O-CD1 3.18Å; V23-I27 WeakPolarHBondContact O-CG1 2.93Å; V23-I27 PolarHBondContact O-N 2.95Å; G24-I27 PolarHBondContact O-N 3.18Å; I27-K29 PolarHBondContact O-N 2.98Å; I27-T30 PolarHBondContact O-N 2.88Å; I27-V31 HydrophobicContact CG2-CG2 4.28Å; I27-V31 WeakPolarHBondContact O-CG2 3.43Å; I27-V31 PolarHBondContact O-N 3.1Å; I27-L45 HydrophobicContact CG2-CD1 4.16Å; I27-L45 HydrophobicContact CG2-CD2 4.17Å; I27-L49 HydrophobicContact CG1-CD1 4.19Å; I27-A66 HydrophobicContact CD1-CB 3.84Å; I27-I67 HydrophobicContact CD1-CG1 3.73Å; I27-L70 HydrophobicContact CB-CD1 4.18Å; I27-L70 HydrophobicContact CD1-CD1 4.44Å; I27-L70 HydrophobicContact CG2-CD1 4.06Å; I27-L76 HydrophobicContact CG2-CD1 3.91Å
28	V	92.1	Very high	84.7	Confident	45 Å²	45	84.6 Å²	84.6	27%	0.273	47%	0.471	S	S	.	.	H	α-helix	trans	-62.7	-44.4	179.5	171.2	0	0	0	0	110.7	G24 E25 L26 T30 V31 A32 L70 T75 M90	G24-V28 VanDerWaalsContact O-CG2 3.32Å; G24-V28 WeakPolarHBondContact O-CG2 3.41Å; G24-V28 PolarHBondContact O-N 3.05Å; E25-V28 PolarHBondContact O-N 3.16Å; L26-V28 VanDerWaalsContact C-N 3.35Å; L26-V28 PolarHBondContact O-N 3.47Å; V28-T30 PolarHBondContact O-N 3.21Å; V28-V31 PolarHBondContact O-N 2.9Å; V28-A32 WeakPolarHBondContact O-CB 3.01Å; V28-A32 PolarHBondContact O-N 3.31Å; V28-L70 HydrophobicContact CG2-CD1 4.18Å; V28-L70 HydrophobicContact CG2-CD2 4.32Å; V28-T75 HydrophobicContact CG2-CG2 4.11Å; V28-M90 HydrophobicContact CB-CE 4.39Å; V28-M90 HydrophobicContact CG1-CE 3.91Å; V28-M90 HydrophobicContact CG1-SD 4.08Å; V28-M90 HydrophobicContact CG2-SD 4.46Å; V28-M90 WeakPolarHBondContact O-CE 3.4Å
29	K	91.9	Very high	86.2	Confident	158 Å²	158	75.8 Å²	75.8	69%	0.687	44%	0.437	S	S	*	.	H	α-helix	trans	-61.4	-44.4	176.8	-172.6	174.4	179.5	175.4	0	111.8	E25 L26 I27 A32 A33	E25-K29 WeakPolarHBondContact O-CB 3.1Å; E25-K29 PolarHBondContact O-N 3.46Å; L26-K29 PolarHBondContact O-N 2.96Å; I27-K29 PolarHBondContact O-N 2.98Å; K29-A32 PolarHBondContact O-N 3.43Å; K29-A33 WeakPolarHBondContact O-CB 3.28Å; K29-A33 PolarHBondContact O-N 2.89Å
30	T	92.7	Very high	88	Confident	26 Å²	26	70 Å²	70	16%	0.16	40%	0.395	C	S	.	.	H	α-helix	trans	-63.5	-47.4	178	-56	0	0	0	0	112	L26 I27 V28 A32 A33 S34 L45 A48	L26-T30 WeakPolarHBondContact O-CB 3.48Å; L26-T30 PolarHBondContact O-N 3.43Å; L26-T30 PolarHBondContact O-OG1 2.99Å; I27-T30 PolarHBondContact O-N 2.88Å; V28-T30 PolarHBondContact O-N 3.21Å; T30-A32 VanDerWaalsContact C-N 3.29Å; T30-A32 PolarHBondContact O-N 2.86Å; T30-A33 PolarHBondContact O-N 2.89Å; T30-S34 PolarHBondContact O-N 3.21Å; T30-S34 PolarHBondContact O-OG 2.91Å; T30-L45 HydrophobicContact CG2-CD2 3.97Å; T30-A48 HydrophobicContact CG2-CB 3.43Å; T30-A48 VanDerWaalsContact CG2-CB 3.43Å
31	V	91.9	Very high	89.2	Confident	8 Å²	8	69.6 Å²	69.6	5%	0.048	39%	0.385	C	S	.	.	H	α-helix	trans	-68.4	-30.1	179	179	0	0	0	0	111.5	I27 V28 S34 V40 L45 L76 M90	I27-V31 HydrophobicContact CG2-CG2 4.28Å; I27-V31 WeakPolarHBondContact O-CG2 3.43Å; I27-V31 PolarHBondContact O-N 3.1Å; V28-V31 PolarHBondContact O-N 2.9Å; V31-S34 VanDerWaalsContact O-O 3.11Å; V31-V40 HydrophobicContact CB-CG2 4.24Å; V31-V40 HydrophobicContact CG1-CG2 4.24Å; V31-V40 HydrophobicContact CG2-CB 4.06Å; V31-V40 HydrophobicContact CG2-CG2 4.01Å; V31-L45 HydrophobicContact CG2-CD2 3.75Å; V31-L76 HydrophobicContact CB-CD2 4.47Å; V31-L76 HydrophobicContact CG1-CD2 4.23Å; V31-L76 HydrophobicContact CG2-CD2 4.44Å; V31-M90 HydrophobicContact CB-CE 3.48Å; V31-M90 VanDerWaalsContact CB-CE 3.48Å; V31-M90 HydrophobicContact CG1-CE 3.65Å; V31-M90 HydrophobicContact CG1-SD 4.44Å
32	A	89.6	Confident	90.1	Very high	66 Å²	66	65.5 Å²	65.5	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-70.3	-41.6	174.6	0	0	0	0	0	112.1	V28 K29 T30 S34 M90	V28-A32 WeakPolarHBondContact O-CB 3.01Å; V28-A32 PolarHBondContact O-N 3.31Å; K29-A32 PolarHBondContact O-N 3.43Å; T30-A32 VanDerWaalsContact C-N 3.29Å; T30-A32 PolarHBondContact O-N 2.86Å; A32-S34 VanDerWaalsContact C-N 3.32Å; A32-M90 HydrophobicContact CB-CE 3.92Å; A32-M90 VanDerWaalsContact N-CE 3.32Å
33	A	90.4	Very high	90.3	Very high	86 Å²	86	65 Å²	65	71%	0.711	36%	0.359	S	S	*	.	H	α-helix	trans	-69	-29.6	178.2	0	0	0	0	0	112.6	K29 T30	K29-A33 WeakPolarHBondContact O-CB 3.28Å; K29-A33 PolarHBondContact O-N 2.89Å; T30-A33 PolarHBondContact O-N 2.89Å
34	S	86.7	Confident	90.4	Very high	48 Å²	48	66.1 Å²	66.1	34%	0.336	37%	0.37	S	S	.	.			trans	-90	113.1	179	-64	0	0	0	0	112.4	T30 V31 A32 E36	T30-S34 PolarHBondContact O-N 3.21Å; T30-S34 PolarHBondContact O-OG 2.91Å; V31-S34 VanDerWaalsContact O-O 3.11Å; A32-S34 VanDerWaalsContact C-N 3.32Å; S34-E36 VanDerWaalsContact C-N 3.29Å; S34-E36 PolarHBondContact O-N 3.46Å
35	K	81.5	Confident	90.5	Very high	203 Å²	203	65.6 Å²	65.6	88%	0.883	36%	0.364	S	S	*	.			trans	-92.5	45.7	177.7	-153.4	78.4	171.4	-159.7	0	113.1
36	E	86.4	Confident	90.5	Very high	124 Å²	124	63.3 Å²	63.3	58%	0.579	35%	0.353	S	S	*	.			trans	-72.7	134.7	179.1	-71.7	-61	116.8	0	0	111.6	S34 G38 G39	S34-E36 VanDerWaalsContact C-N 3.29Å; S34-E36 PolarHBondContact O-N 3.46Å; E36-G38 PolarHBondContact O-N 2.96Å; E36-G39 WeakPolarHBondContact CB-O 3.27Å; E36-G39 PolarHBondContact O-N 3.26Å
37	R	86.1	Confident	90.5	Very high	245 Å²	245	68.9 Å²	68.9	93%	0.925	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-36.5	179	-174.7	171	180	-105.7	2.4	112.3
38	G	86.7	Confident	90.5	Very high	38 Å²	38	70.7 Å²	70.7	39%	0.392	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-0.8	176.3	0	0	0	0	0	115.2	E36 T79	E36-G38 PolarHBondContact O-N 2.96Å; G38-T79 WeakPolarHBondContact O-CB 3.44Å; G38-T79 PolarHBondContact O-OG1 3.32Å
39	G	91.5	Very high	90.5	Very high	12 Å²	12	68.7 Å²	68.7	12%	0.124	38%	0.378	C	S	.	.			trans	72.9	-172.2	-166	0	0	0	0	0	112.7	E36 F88	E36-G39 WeakPolarHBondContact CB-O 3.27Å; E36-G39 PolarHBondContact O-N 3.26Å; G39-F88 CarbonylContact C-O 3.52Å; G39-F88 WeakPolarHBondContact CA-O 3.38Å
40	V	93.8	Very high	90.4	Very high	5 Å²	5	63.7 Å²	63.7	3%	0.03	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.6	-176.5	-166.9	0	0	0	0	110	V31 A44 L45 S87 F88	V31-V40 HydrophobicContact CB-CG2 4.24Å; V31-V40 HydrophobicContact CG1-CG2 4.24Å; V31-V40 HydrophobicContact CG2-CB 4.06Å; V31-V40 HydrophobicContact CG2-CG2 4.01Å; V40-A44 HydrophobicContact CG1-CB 3.69Å; V40-L45 HydrophobicContact CB-CD2 4.39Å; V40-L45 HydrophobicContact CB-CG 4.24Å; V40-L45 HydrophobicContact CG1-CB 4.49Å; V40-L45 HydrophobicContact CG1-CD2 3.92Å; V40-L45 HydrophobicContact CG1-CG 3.68Å; V40-S87 WeakPolarHBondContact O-CA 3.45Å; V40-F88 PolarHBondContact N-O 3.13Å; V40-F88 PolarHBondContact O-N 3.45Å
41	S	93.7	Very high	90.3	Very high	42 Å²	42	66.8 Å²	66.8	29%	0.294	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	156.1	174.9	71.7	0	0	0	0	111.7	A43 A44 L45	S41-A43 PolarHBondContact O-N 2.84Å; S41-A43 VanDerWaalsContact O-N 3.13Å; S41-A44 PolarHBondContact O-N 3.26Å; S41-A44 VanDerWaalsContact O-N 3.1Å; S41-A44 WeakPolarHBondContact OG-CB 3.45Å; S41-A44 PolarHBondContact OG-N 2.93Å; S41-L45 PolarHBondContact O-N 2.9Å
42	A	91.9	Very high	90	Very high	8 Å²	8	69.5 Å²	69.5	7%	0.066	42%	0.423	C	S	.	.	H	α-helix	trans	-56.2	-29.6	174.6	0	0	0	0	0	113.5	K46 A84 G86 F88	A42-K46 VanDerWaalsContact O-CG 3.31Å; A42-K46 WeakPolarHBondContact O-CG 3.32Å; A42-K46 PolarHBondContact O-N 2.98Å; A42-A84 VanDerWaalsContact CB-O 3.22Å; A42-A84 WeakPolarHBondContact CB-O 3.46Å; A42-G86 PolarHBondContact N-O 3.37Å; A42-G86 VanDerWaalsContact N-O 3.09Å; A42-F88 HydrophobicContact CB-CE2 4.14Å
43	A	91.9	Very high	89.9	Confident	56 Å²	56	69.8 Å²	69.8	46%	0.463	43%	0.433	S	S	.	.	H	α-helix	trans	-73	-45.2	175.9	0	0	0	0	0	111.7	S41 L45 K46 K47	S41-A43 PolarHBondContact O-N 2.84Å; S41-A43 VanDerWaalsContact O-N 3.13Å; A43-L45 VanDerWaalsContact C-N 3.32Å; A43-L45 PolarHBondContact O-N 3.13Å; A43-K46 PolarHBondContact O-N 2.88Å; A43-K47 PolarHBondContact O-N 3.46Å
44	A	92.8	Very high	89.9	Confident	41 Å²	41	67.6 Å²	67.6	34%	0.339	41%	0.407	S	S	.	.	H	α-helix	trans	-63.9	-39	175.4	0	0	0	0	0	111.5	V40 S41 K46 K47 A48	V40-A44 HydrophobicContact CG1-CB 3.69Å; S41-A44 PolarHBondContact O-N 3.26Å; S41-A44 VanDerWaalsContact O-N 3.1Å; S41-A44 WeakPolarHBondContact OG-CB 3.45Å; S41-A44 PolarHBondContact OG-N 2.93Å; A44-K46 PolarHBondContact O-N 3.35Å; A44-K47 PolarHBondContact O-N 3.25Å; A44-A48 WeakPolarHBondContact O-CB 3.49Å; A44-A48 PolarHBondContact O-N 3.29Å
45	L	92.6	Very high	90	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-57.7	-46.5	173.2	-82.1	175.2	0	0	0	112.3	I27 T30 V31 V40 S41 A43 K47 A48 L49 I67 F88	I27-L45 HydrophobicContact CG2-CD1 4.16Å; I27-L45 HydrophobicContact CG2-CD2 4.17Å; T30-L45 HydrophobicContact CG2-CD2 3.97Å; V31-L45 HydrophobicContact CG2-CD2 3.75Å; V40-L45 HydrophobicContact CB-CD2 4.39Å; V40-L45 HydrophobicContact CB-CG 4.24Å; V40-L45 HydrophobicContact CG1-CB 4.49Å; V40-L45 HydrophobicContact CG1-CD2 3.92Å; V40-L45 HydrophobicContact CG1-CG 3.68Å; S41-L45 PolarHBondContact O-N 2.9Å; A43-L45 VanDerWaalsContact C-N 3.32Å; A43-L45 PolarHBondContact O-N 3.13Å; L45-K47 VanDerWaalsContact C-N 3.28Å; L45-K47 PolarHBondContact O-N 3.34Å; L45-A48 PolarHBondContact O-N 2.86Å; L45-L49 WeakPolarHBondContact O-CB 3.34Å; L45-L49 WeakPolarHBondContact O-CG 3.37Å; L45-L49 PolarHBondContact O-N 3.5Å; L45-I67 HydrophobicContact CD1-CD1 3.99Å; L45-I67 HydrophobicContact CD1-CG1 4.44Å; L45-F88 HydrophobicContact CD1-CD2 3.79Å; L45-F88 HydrophobicContact CD1-CE2 4.09Å
46	K	91.9	Very high	90.4	Very high	74 Å²	74	59.9 Å²	59.9	32%	0.322	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-39.5	178.2	-71	169.2	-162.7	166.8	0	111.9	A42 A43 A44 A50 V56	A42-K46 VanDerWaalsContact O-CG 3.31Å; A42-K46 WeakPolarHBondContact O-CG 3.32Å; A42-K46 PolarHBondContact O-N 2.98Å; A43-K46 PolarHBondContact O-N 2.88Å; A44-K46 PolarHBondContact O-N 3.35Å; K46-A50 WeakPolarHBondContact O-CB 3.43Å; K46-A50 PolarHBondContact O-N 3.29Å; K46-V56 HydrophobicContact CB-CG1 4.48Å; K46-V56 HydrophobicContact CB-CG2 4.45Å
47	K	92.8	Very high	90.5	Very high	161 Å²	161	58.9 Å²	58.9	70%	0.7	37%	0.371	S	S	*	.	H	α-helix	trans	-66.4	-46.3	178.1	-70.6	179.8	176.9	175.2	0	111.7	A43 A44 L45 L49 A50 A51	A43-K47 PolarHBondContact O-N 3.46Å; A44-K47 PolarHBondContact O-N 3.25Å; L45-K47 VanDerWaalsContact C-N 3.28Å; L45-K47 PolarHBondContact O-N 3.34Å; K47-L49 PolarHBondContact O-N 3.43Å; K47-A50 PolarHBondContact O-N 2.96Å; K47-A51 WeakPolarHBondContact O-CB 3.22Å; K47-A51 PolarHBondContact O-N 2.9Å
48	A	91.8	Very high	90.8	Very high	38 Å²	38	55.6 Å²	55.6	31%	0.314	36%	0.363	S	S	.	.	H	α-helix	trans	-67.2	-35.7	178.8	0	0	0	0	0	112.7	T30 A44 L45 A51 G52	T30-A48 HydrophobicContact CG2-CB 3.43Å; T30-A48 VanDerWaalsContact CG2-CB 3.43Å; A44-A48 WeakPolarHBondContact O-CB 3.49Å; A44-A48 PolarHBondContact O-N 3.29Å; L45-A48 PolarHBondContact O-N 2.86Å; A48-A51 PolarHBondContact O-N 2.88Å; A48-G52 PolarHBondContact O-N 3.43Å
49	L	91.3	Very high	91	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-67.7	-41.1	173.6	-71.5	175.4	0	0	0	111.9	L26 I27 L45 K47 A51 G52 G53 Y54 V56 V63	L26-L49 HydrophobicContact CB-CD2 3.57Å; L26-L49 HydrophobicContact CD1-CD2 4.36Å; I27-L49 HydrophobicContact CG1-CD1 4.19Å; L45-L49 WeakPolarHBondContact O-CB 3.34Å; L45-L49 WeakPolarHBondContact O-CG 3.37Å; L45-L49 PolarHBondContact O-N 3.5Å; K47-L49 PolarHBondContact O-N 3.43Å; L49-A51 VanDerWaalsContact C-N 3.35Å; L49-G52 CarbonylContact O-C 3.44Å; L49-G52 WeakPolarHBondContact O-CA 3.49Å; L49-G52 PolarHBondContact O-N 2.91Å; L49-G52 VanDerWaalsContact O-N 3.14Å; L49-G53 PolarHBondContact O-N 2.88Å; L49-Y54 HydrophobicContact CB-CD1 4.49Å; L49-Y54 WeakPolarHBondContact O-CB 3.36Å; L49-Y54 PolarHBondContact O-N 3.38Å; L49-V56 HydrophobicContact CB-CG1 3.67Å; L49-V56 HydrophobicContact CD1-CG1 4.3Å; L49-V63 HydrophobicContact CD1-CG1 4.09Å; L49-V63 HydrophobicContact CD1-CG2 4.27Å
50	A	91	Very high	91	Very high	53 Å²	53	59.3 Å²	59.3	44%	0.438	37%	0.367	S	S	.	.	H	α-helix	trans	-62.3	-42.8	174	0	0	0	0	0	111.6	K46 K47 G52 G53 Y54 V56	K46-A50 WeakPolarHBondContact O-CB 3.43Å; K46-A50 PolarHBondContact O-N 3.29Å; K47-A50 PolarHBondContact O-N 2.96Å; A50-G52 PolarHBondContact O-N 3.16Å; A50-G53 PolarHBondContact O-N 3.05Å; A50-Y54 WeakPolarHBondContact CA-O 3.39Å; A50-V56 HydrophobicContact CB-CG2 4.1Å
51	A	90.2	Very high	90.9	Very high	91 Å²	91	62.3 Å²	62.3	75%	0.752	39%	0.393	S	S	*	.	H	α-helix	trans	-62.8	-31.7	173.1	0	0	0	0	0	112.5	K47 A48 L49 G53	K47-A51 WeakPolarHBondContact O-CB 3.22Å; K47-A51 PolarHBondContact O-N 2.9Å; A48-A51 PolarHBondContact O-N 2.88Å; L49-A51 VanDerWaalsContact C-N 3.35Å; A51-G53 PolarHBondContact O-N 3.43Å
52	G	85.3	Confident	90.9	Very high	64 Å²	64	68 Å²	68	66%	0.66	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	11.3	173	0	0	0	0	0	115	A48 L49 A50 Y54	A48-G52 PolarHBondContact O-N 3.43Å; L49-G52 CarbonylContact O-C 3.44Å; L49-G52 WeakPolarHBondContact O-CA 3.49Å; L49-G52 PolarHBondContact O-N 2.91Å; L49-G52 VanDerWaalsContact O-N 3.14Å; A50-G52 PolarHBondContact O-N 3.16Å; G52-Y54 PolarHBondContact O-N 2.99Å
53	G	87.4	Confident	90.9	Very high	73 Å²	73	67.8 Å²	67.8	75%	0.753	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	9.9	177	0	0	0	0	0	115.1	L49 A50 A51	L49-G53 PolarHBondContact O-N 2.88Å; A50-G53 PolarHBondContact O-N 3.05Å; A51-G53 PolarHBondContact O-N 3.43Å
54	Y	89.9	Confident	91	Very high	39 Å²	39	71.7 Å²	71.7	15%	0.153	41%	0.408	C	S	.	.			trans	-89.6	122.9	174.7	-173.6	-94.3	0	0	0	111.1	V23 L26 L49 A50 G52 V56 N59 V63	V23-Y54 HydrophobicContact CG2-CE2 3.74Å; V23-Y54 VanDerWaalsContact CG2-OH 3.24Å; V23-Y54 WeakPolarHBondContact CG2-OH 3.45Å; L26-Y54 HydrophobicContact CD1-CD2 4.24Å; L49-Y54 HydrophobicContact CB-CD1 4.49Å; L49-Y54 WeakPolarHBondContact O-CB 3.36Å; L49-Y54 PolarHBondContact O-N 3.38Å; A50-Y54 WeakPolarHBondContact CA-O 3.39Å; G52-Y54 PolarHBondContact O-N 2.99Å; Y54-V56 HydrophobicContact CD1-CG1 3.7Å; Y54-V56 HydrophobicContact CE1-CG1 4.27Å; Y54-V56 PolarHBondContact O-N 3.03Å; Y54-N59 HydrophobicContact CE1-CB 3.74Å; Y54-N59 WeakPolarHBondContact OH-CB 3.32Å; Y54-V63 HydrophobicContact CD1-CG2 4.47Å; Y54-V63 HydrophobicContact CE1-CG2 3.74Å
55	D	90.1	Very high	91.1	Very high	66 Å²	66	73.6 Å²	73.6	35%	0.353	42%	0.416	S	S	.	.			trans	-72	91	173.9	-175.1	-3.9	0	0	0	110.6	D57 K58 N59	D55-D57 VanDerWaalsContact C-N 3.27Å; D55-D57 PolarHBondContact OD1-N 3.11Å; D55-K58 PolarHBondContact OD1-N 2.72Å; D55-K58 WeakPolarHBondContact OD2-CD 3.47Å; D55-K58 WeakPolarHBondContact OD2-CE 3.27Å; D55-K58 VanDerWaalsContact OD2-CG 3.23Å; D55-K58 WeakPolarHBondContact OD2-CG 3.26Å; D55-K58 IonicContact OD2-NZ 3.9Å; D55-N59 WeakPolarHBondContact O-CB 3.25Å; D55-N59 PolarHBondContact O-N 3.03Å; D55-N59 PolarHBondContact O-ND2 3.38Å
56	V	88.6	Confident	91.2	Very high	24 Å²	24	74.5 Å²	74.5	15%	0.145	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-20.4	175.1	-66.8	0	0	0	0	112.7	K46 L49 A50 Y54 N59 K60 V63	K46-V56 HydrophobicContact CB-CG1 4.48Å; K46-V56 HydrophobicContact CB-CG2 4.45Å; L49-V56 HydrophobicContact CB-CG1 3.67Å; L49-V56 HydrophobicContact CD1-CG1 4.3Å; A50-V56 HydrophobicContact CB-CG2 4.1Å; Y54-V56 HydrophobicContact CD1-CG1 3.7Å; Y54-V56 HydrophobicContact CE1-CG1 4.27Å; Y54-V56 PolarHBondContact O-N 3.03Å; V56-N59 CarbonylContact O-C 3.58Å; V56-N59 PolarHBondContact O-N 3.43Å; V56-K60 WeakPolarHBondContact O-CG 3.33Å; V56-K60 PolarHBondContact O-N 2.91Å; V56-K60 VanDerWaalsContact O-N 3.07Å; V56-V63 HydrophobicContact CG1-CG2 4.37Å
57	D	88.6	Confident	91.3	Very high	102 Å²	102	71.1 Å²	71.1	55%	0.545	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-45.4	-173.1	-155.3	-81.6	0	0	0	110.8	D55 N59 K60	D55-D57 VanDerWaalsContact C-N 3.27Å; D55-D57 PolarHBondContact OD1-N 3.11Å; D57-N59 VanDerWaalsContact C-N 3.31Å; D57-N59 PolarHBondContact O-N 3.3Å; D57-K60 VanDerWaalsContact CG-CE 3.46Å; D57-K60 VanDerWaalsContact O-CE 3.24Å; D57-K60 WeakPolarHBondContact O-CE 3.18Å; D57-K60 WeakPolarHBondContact O-CG 3.29Å; D57-K60 IonicContact OD1-NZ 3.15Å; D57-K60 PolarHBondContact OD1-NZ 2.97Å; D57-K60 VanDerWaalsContact OD1-NZ 3.15Å; D57-K60 WeakPolarHBondContact OD2-CE 3.35Å; D57-K60 IonicContact OD2-NZ 2.7Å; D57-K60 PolarHBondContact OD2-NZ 3.43Å
58	K	92.2	Very high	91.3	Very high	176 Å²	176	69.5 Å²	69.5	77%	0.765	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-24.7	172.8	-64	-177.4	-166.9	165.6	0	112.8	D55	D55-K58 PolarHBondContact OD1-N 2.72Å; D55-K58 WeakPolarHBondContact OD2-CD 3.47Å; D55-K58 WeakPolarHBondContact OD2-CE 3.27Å; D55-K58 VanDerWaalsContact OD2-CG 3.23Å; D55-K58 WeakPolarHBondContact OD2-CG 3.26Å; D55-K58 IonicContact OD2-NZ 3.9Å
59	N	91.2	Very high	91.5	Very high	40 Å²	40	69.9 Å²	69.9	21%	0.214	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	25.5	-172.3	-62	-62.8	0	0	0	115.3	Y54 D55 V56 D57 A61 R62 V63	Y54-N59 HydrophobicContact CE1-CB 3.74Å; Y54-N59 WeakPolarHBondContact OH-CB 3.32Å; D55-N59 WeakPolarHBondContact O-CB 3.25Å; D55-N59 PolarHBondContact O-N 3.03Å; D55-N59 PolarHBondContact O-ND2 3.38Å; V56-N59 CarbonylContact O-C 3.58Å; V56-N59 PolarHBondContact O-N 3.43Å; D57-N59 VanDerWaalsContact C-N 3.31Å; D57-N59 PolarHBondContact O-N 3.3Å; N59-A61 PolarHBondContact O-N 3.37Å; N59-A61 VanDerWaalsContact O-N 3.15Å; N59-R62 HydrophobicContact CB-CB 4.43Å; N59-R62 PolarHBondContact O-N 2.84Å; N59-V63 PolarHBondContact O-N 3.1Å; N59-V63 VanDerWaalsContact O-N 3.15Å
60	K	91.7	Very high	91.6	Very high	88 Å²	88	70.5 Å²	70.5	38%	0.383	41%	0.405	S	S	.	.	H	α-helix	trans	-50.4	-42.1	-179.9	-65.4	172.7	-172.2	169.3	0	112.9	V56 D57 V63 R64	V56-K60 WeakPolarHBondContact O-CG 3.33Å; V56-K60 PolarHBondContact O-N 2.91Å; V56-K60 VanDerWaalsContact O-N 3.07Å; D57-K60 VanDerWaalsContact CG-CE 3.46Å; D57-K60 VanDerWaalsContact O-CE 3.24Å; D57-K60 WeakPolarHBondContact O-CE 3.18Å; D57-K60 WeakPolarHBondContact O-CG 3.29Å; D57-K60 IonicContact OD1-NZ 3.15Å; D57-K60 PolarHBondContact OD1-NZ 2.97Å; D57-K60 VanDerWaalsContact OD1-NZ 3.15Å; D57-K60 WeakPolarHBondContact OD2-CE 3.35Å; D57-K60 IonicContact OD2-NZ 2.7Å; D57-K60 PolarHBondContact OD2-NZ 3.43Å; K60-V63 PolarHBondContact O-N 3.09Å; K60-R64 WeakPolarHBondContact O-CG 3.25Å; K60-R64 PolarHBondContact O-N 3.06Å; K60-R64 VanDerWaalsContact O-N 3.12Å
61	A	92.6	Very high	91.7	Very high	69 Å²	69	69.7 Å²	69.7	57%	0.57	39%	0.394	S	S	*	.	H	α-helix	trans	-64.5	-43	179.6	0	0	0	0	0	112.2	N59 V63 R64 T65	N59-A61 PolarHBondContact O-N 3.37Å; N59-A61 VanDerWaalsContact O-N 3.15Å; A61-V63 PolarHBondContact O-N 3.27Å; A61-R64 PolarHBondContact O-N 3.19Å; A61-T65 WeakPolarHBondContact O-CB 3.47Å; A61-T65 PolarHBondContact O-N 3.04Å; A61-T65 PolarHBondContact O-OG1 3.06Å; A61-T65 VanDerWaalsContact O-OG1 3.06Å
62	R	93.1	Very high	91.8	Very high	162 Å²	162	71.1 Å²	71.1	61%	0.611	39%	0.393	S	S	*	.	H	α-helix	trans	-64.5	-41.5	178.6	-69.4	-167	-174.8	155.9	4.8	112	N59 T65 A66	N59-R62 HydrophobicContact CB-CB 4.43Å; N59-R62 PolarHBondContact O-N 2.84Å; R62-T65 PolarHBondContact O-N 2.92Å; R62-A66 VanDerWaalsContact O-CB 3.27Å; R62-A66 WeakPolarHBondContact O-CB 3.38Å; R62-A66 PolarHBondContact O-N 2.87Å
63	V	92.4	Very high	92	Very high	2 Å²	2	75.6 Å²	75.6	1%	0.012	39%	0.394	C	S	.	.	H	α-helix	trans	-62.1	-47.8	177.6	179.6	0	0	0	0	110.4	V23 L49 Y54 V56 N59 K60 A61 T65 A66 I67	V23-V63 HydrophobicContact CG1-CG2 4.08Å; L49-V63 HydrophobicContact CD1-CG1 4.09Å; L49-V63 HydrophobicContact CD1-CG2 4.27Å; Y54-V63 HydrophobicContact CD1-CG2 4.47Å; Y54-V63 HydrophobicContact CE1-CG2 3.74Å; V56-V63 HydrophobicContact CG1-CG2 4.37Å; N59-V63 PolarHBondContact O-N 3.1Å; N59-V63 VanDerWaalsContact O-N 3.15Å; K60-V63 PolarHBondContact O-N 3.09Å; A61-V63 PolarHBondContact O-N 3.27Å; V63-T65 PolarHBondContact O-N 2.71Å; V63-A66 PolarHBondContact O-N 2.92Å; V63-I67 HydrophobicContact CG1-CD1 4.02Å; V63-I67 VanDerWaalsContact O-CG1 3.29Å; V63-I67 WeakPolarHBondContact O-CG1 3.41Å; V63-I67 PolarHBondContact O-N 2.85Å
64	R	93.2	Very high	92.2	Very high	138 Å²	138	73.7 Å²	73.7	52%	0.521	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-44.5	177.4	-71.2	174.9	179.5	168.4	0.2	112.1	K60 A61 K68 A84	K60-R64 WeakPolarHBondContact O-CG 3.25Å; K60-R64 PolarHBondContact O-N 3.06Å; K60-R64 VanDerWaalsContact O-N 3.12Å; A61-R64 PolarHBondContact O-N 3.19Å; R64-K68 WeakPolarHBondContact O-CG 3.23Å; R64-K68 PolarHBondContact O-N 2.94Å; R64-A84 HydrophobicContact CB-CB 4.43Å
65	T	95.4	Very high	92.3	Very high	82 Å²	82	74.2 Å²	74.2	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-66.3	-43.4	178.9	-61.1	0	0	0	0	111.6	A61 R62 V63 I67 K68 S69	A61-T65 WeakPolarHBondContact O-CB 3.47Å; A61-T65 PolarHBondContact O-N 3.04Å; A61-T65 PolarHBondContact O-OG1 3.06Å; A61-T65 VanDerWaalsContact O-OG1 3.06Å; R62-T65 PolarHBondContact O-N 2.92Å; V63-T65 PolarHBondContact O-N 2.71Å; T65-I67 VanDerWaalsContact C-N 3.35Å; T65-I67 PolarHBondContact O-N 3.1Å; T65-K68 PolarHBondContact O-N 3.29Å; T65-S69 WeakPolarHBondContact O-CB 3.2Å; T65-S69 PolarHBondContact O-N 3.09Å; T65-S69 PolarHBondContact O-OG 3.49Å; T65-S69 VanDerWaalsContact O-OG 3.13Å
66	A	94.4	Very high	92.5	Very high	18 Å²	18	71.2 Å²	71.2	15%	0.149	37%	0.366	C	S	.	.	H	α-helix	trans	-59.7	-44.9	177.3	0	0	0	0	0	111.6	V23 I27 R62 V63 S69 L70	V23-A66 HydrophobicContact CB-CB 4.22Å; V23-A66 HydrophobicContact CG1-CB 4Å; I27-A66 HydrophobicContact CD1-CB 3.84Å; R62-A66 VanDerWaalsContact O-CB 3.27Å; R62-A66 WeakPolarHBondContact O-CB 3.38Å; R62-A66 PolarHBondContact O-N 2.87Å; V63-A66 PolarHBondContact O-N 2.92Å; A66-S69 PolarHBondContact O-N 3.2Å; A66-L70 WeakPolarHBondContact O-CB 3.46Å; A66-L70 VanDerWaalsContact O-CG 3.27Å; A66-L70 WeakPolarHBondContact O-CG 3.24Å; A66-L70 PolarHBondContact O-N 3.5Å
67	I	93.9	Very high	92.6	Very high	4 Å²	4	73.4 Å²	73.4	2%	0.021	38%	0.379	C	S	.	.	H	α-helix	trans	-59	-49.7	174.5	-66.2	168.2	0	0	0	110.4	I27 L45 V63 T65 S69 L70 L71 A84 F88	I27-I67 HydrophobicContact CD1-CG1 3.73Å; L45-I67 HydrophobicContact CD1-CD1 3.99Å; L45-I67 HydrophobicContact CD1-CG1 4.44Å; V63-I67 HydrophobicContact CG1-CD1 4.02Å; V63-I67 VanDerWaalsContact O-CG1 3.29Å; V63-I67 WeakPolarHBondContact O-CG1 3.41Å; V63-I67 PolarHBondContact O-N 2.85Å; T65-I67 VanDerWaalsContact C-N 3.35Å; T65-I67 PolarHBondContact O-N 3.1Å; I67-S69 VanDerWaalsContact C-N 3.32Å; I67-S69 PolarHBondContact O-N 3.13Å; I67-L70 PolarHBondContact O-N 3.38Å; I67-L71 HydrophobicContact CG2-CD1 3.83Å; I67-L71 HydrophobicContact CG2-CG 4.39Å; I67-L71 VanDerWaalsContact O-CG 3.25Å; I67-L71 WeakPolarHBondContact O-CG 3.08Å; I67-L71 PolarHBondContact O-N 3.02Å; I67-A84 HydrophobicContact CB-CB 4.06Å; I67-A84 HydrophobicContact CG2-CB 3.83Å; I67-F88 HydrophobicContact CD1-CE2 4.22Å; I67-F88 HydrophobicContact CG2-CD1 4.31Å; I67-F88 HydrophobicContact CG2-CD2 4.24Å; I67-F88 HydrophobicContact CG2-CE1 3.74Å; I67-F88 HydrophobicContact CG2-CE2 3.71Å; I67-F88 HydrophobicContact CG2-CZ 3.44Å; I67-F88 VanDerWaalsContact CG2-CZ 3.44Å
68	K	94.1	Very high	92.8	Very high	126 Å²	126	71.4 Å²	71.4	55%	0.548	37%	0.366	S	S	.	.	H	α-helix	trans	-56.7	-46.8	177.4	-72.4	176.6	64.9	179.3	0	111.5	R64 T65 L70 L71 T72 A84	R64-K68 WeakPolarHBondContact O-CG 3.23Å; R64-K68 PolarHBondContact O-N 2.94Å; T65-K68 PolarHBondContact O-N 3.29Å; K68-L70 VanDerWaalsContact C-N 3.35Å; K68-L70 PolarHBondContact O-N 3.15Å; K68-L71 PolarHBondContact O-N 3.38Å; K68-T72 WeakPolarHBondContact O-CG2 3.22Å; K68-T72 PolarHBondContact O-N 3.12Å; K68-T72 PolarHBondContact O-OG1 3.44Å; K68-A84 HydrophobicContact CG-CB 3.95Å
69	S	94.9	Very high	92.8	Very high	47 Å²	47	65.7 Å²	65.7	33%	0.329	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-37.3	179.3	-63.3	0	0	0	0	112.7	T65 A66 I67 L71 T72 K73	T65-S69 WeakPolarHBondContact O-CB 3.2Å; T65-S69 PolarHBondContact O-N 3.09Å; T65-S69 PolarHBondContact O-OG 3.49Å; T65-S69 VanDerWaalsContact O-OG 3.13Å; A66-S69 PolarHBondContact O-N 3.2Å; I67-S69 VanDerWaalsContact C-N 3.32Å; I67-S69 PolarHBondContact O-N 3.13Å; S69-L71 VanDerWaalsContact C-N 3.34Å; S69-T72 WeakPolarHBondContact CA-OG1 3.33Å; S69-T72 PolarHBondContact O-OG1 3.15Å; S69-K73 VanDerWaalsContact O-CB 3.28Å; S69-K73 WeakPolarHBondContact O-CB 3.36Å; S69-K73 WeakPolarHBondContact O-CD 3.19Å; S69-K73 WeakPolarHBondContact O-CG 3.25Å; S69-K73 PolarHBondContact O-N 3.05Å
70	L	93.8	Very high	92.7	Very high	17 Å²	17	71 Å²	71	9%	0.089	37%	0.367	C	S	.	.	H	α-helix	trans	-70.9	-31.1	176.6	-71.5	172	0	0	0	112.6	I27 V28 A66 I67 K68 G74 T75 L76	I27-L70 HydrophobicContact CB-CD1 4.18Å; I27-L70 HydrophobicContact CD1-CD1 4.44Å; I27-L70 HydrophobicContact CG2-CD1 4.06Å; V28-L70 HydrophobicContact CG2-CD1 4.18Å; V28-L70 HydrophobicContact CG2-CD2 4.32Å; A66-L70 WeakPolarHBondContact O-CB 3.46Å; A66-L70 VanDerWaalsContact O-CG 3.27Å; A66-L70 WeakPolarHBondContact O-CG 3.24Å; A66-L70 PolarHBondContact O-N 3.5Å; I67-L70 PolarHBondContact O-N 3.38Å; K68-L70 VanDerWaalsContact C-N 3.35Å; K68-L70 PolarHBondContact O-N 3.15Å; L70-G74 PolarHBondContact O-N 2.91Å; L70-G74 VanDerWaalsContact O-N 3.16Å; L70-T75 HydrophobicContact CD2-CG2 4.47Å; L70-T75 PolarHBondContact O-N 2.93Å; L70-L76 HydrophobicContact CB-CD1 3.85Å; L70-L76 HydrophobicContact CB-CG 4.08Å; L70-L76 HydrophobicContact CD1-CD1 3.96Å; L70-L76 PolarHBondContact O-N 3.34Å
71	L	91.8	Very high	92.7	Very high	36 Å²	36	69.5 Å²	69.5	19%	0.188	38%	0.377	C	S	.	.	H	α-helix	trans	-72.9	-42.6	173.1	-68.1	168.3	0	0	0	112	I67 K68 S69 K73 G74 L76 F88	I67-L71 HydrophobicContact CG2-CD1 3.83Å; I67-L71 HydrophobicContact CG2-CG 4.39Å; I67-L71 VanDerWaalsContact O-CG 3.25Å; I67-L71 WeakPolarHBondContact O-CG 3.08Å; I67-L71 PolarHBondContact O-N 3.02Å; K68-L71 PolarHBondContact O-N 3.38Å; S69-L71 VanDerWaalsContact C-N 3.34Å; L71-K73 VanDerWaalsContact C-N 3.29Å; L71-K73 PolarHBondContact O-N 3.12Å; L71-G74 PolarHBondContact O-N 3.32Å; L71-L76 HydrophobicContact CD2-CB 3.61Å; L71-L76 WeakPolarHBondContact CD2-O 3.38Å; L71-L76 HydrophobicContact CG-CB 4.29Å; L71-F88 HydrophobicContact CD1-CD1 3.91Å; L71-F88 HydrophobicContact CD1-CE1 3.59Å; L71-F88 HydrophobicContact CD2-CD1 3.78Å; L71-F88 HydrophobicContact CD2-CE1 4.33Å; L71-F88 HydrophobicContact CG-CD1 4.28Å; L71-F88 HydrophobicContact CG-CE1 4.43Å
72	T	92.6	Very high	92.5	Very high	120 Å²	120	72.4 Å²	72.4	74%	0.736	39%	0.388	S	S	*	.	H	α-helix	trans	-66.5	-33.5	175.6	56.3	0	0	0	0	111.7	K68 S69 G74	K68-T72 WeakPolarHBondContact O-CG2 3.22Å; K68-T72 PolarHBondContact O-N 3.12Å; K68-T72 PolarHBondContact O-OG1 3.44Å; S69-T72 WeakPolarHBondContact CA-OG1 3.33Å; S69-T72 PolarHBondContact O-OG1 3.15Å; T72-G74 PolarHBondContact O-N 3.49Å
73	K	91.1	Very high	92.3	Very high	158 Å²	158	66.6 Å²	66.6	69%	0.687	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-17	172.1	-72.9	171	-176.8	-174.1	0	112.9	S69 L71 T75	S69-K73 VanDerWaalsContact O-CB 3.28Å; S69-K73 WeakPolarHBondContact O-CB 3.36Å; S69-K73 WeakPolarHBondContact O-CD 3.19Å; S69-K73 WeakPolarHBondContact O-CG 3.25Å; S69-K73 PolarHBondContact O-N 3.05Å; L71-K73 VanDerWaalsContact C-N 3.29Å; L71-K73 PolarHBondContact O-N 3.12Å; K73-T75 VanDerWaalsContact C-N 3.34Å
74	G	90.5	Very high	92.1	Very high	33 Å²	33	67.4 Å²	67.4	34%	0.34	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	14.2	-178.9	0	0	0	0	0	114.9	L70 L71 T72 S91	L70-G74 PolarHBondContact O-N 2.91Å; L70-G74 VanDerWaalsContact O-N 3.16Å; L71-G74 PolarHBondContact O-N 3.32Å; T72-G74 PolarHBondContact O-N 3.49Å; G74-S91 WeakPolarHBondContact O-CB 3.44Å; G74-S91 PolarHBondContact O-OG 3.3Å
75	T	92.5	Very high	91.9	Very high	51 Å²	51	66 Å²	66	31%	0.313	40%	0.397	S	S	.	.	S	Bend	trans	-72.2	-36.7	173.4	-47.9	0	0	0	0	111.2	V28 L70 K73 S91	V28-T75 HydrophobicContact CG2-CG2 4.11Å; L70-T75 HydrophobicContact CD2-CG2 4.47Å; L70-T75 PolarHBondContact O-N 2.93Å; K73-T75 VanDerWaalsContact C-N 3.34Å; T75-S91 WeakPolarHBondContact O-CB 3.13Å; T75-S91 PolarHBondContact O-N 3.38Å
76	L	93	Very high	91.8	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.016	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	150.3	172.9	-65.6	177.5	0	0	0	109.7	I27 V31 L70 L71 F88 M90	I27-L76 HydrophobicContact CG2-CD1 3.91Å; V31-L76 HydrophobicContact CB-CD2 4.47Å; V31-L76 HydrophobicContact CG1-CD2 4.23Å; V31-L76 HydrophobicContact CG2-CD2 4.44Å; L70-L76 HydrophobicContact CB-CD1 3.85Å; L70-L76 HydrophobicContact CB-CG 4.08Å; L70-L76 HydrophobicContact CD1-CD1 3.96Å; L70-L76 PolarHBondContact O-N 3.34Å; L71-L76 HydrophobicContact CD2-CB 3.61Å; L71-L76 WeakPolarHBondContact CD2-O 3.38Å; L71-L76 HydrophobicContact CG-CB 4.29Å; L76-F88 HydrophobicContact CB-CB 4.35Å; L76-F88 HydrophobicContact CD1-CB 4.3Å; L76-F88 HydrophobicContact CD2-CB 4.5Å; L76-M90 HydrophobicContact CD2-CE 4.28Å; L76-M90 HydrophobicContact CD2-SD 3.38Å; L76-M90 WeakPolarHBondContact CD2-SD 3.08Å
77	V	92.4	Very high	91.7	Very high	69 Å²	69	62.8 Å²	62.8	42%	0.418	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.4	174.7	177.6	0	0	0	0	109.5	T79 F88 K89	V77-T79 PolarHBondContact O-N 3.07Å; V77-F88 WeakPolarHBondContact O-CA 3.34Å; V77-K89 PolarHBondContact N-O 2.88Å; V77-K89 PolarHBondContact O-N 3.21Å
78	H	92.4	Very high	91.7	Very high	61 Å²	61	62.6 Å²	62.6	28%	0.282	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	124	170.1	-101.7	-131.1	0	0	0	111.2	G81 T82 G83 F88	H78-G81 PolarHBondContact CE1-O 3.38Å; H78-G81 VanDerWaalsContact CE1-O 3.27Å; H78-G81 PolarHBondContact ND1-O 3.14Å; H78-T82 WeakPolarHBondContact CE1-CA 3.47Å; H78-G83 PolarHBondContact CE1-N 2.92Å; H78-G83 PolarHBondContact CE1-O 3.46Å; H78-G83 PolarHBondContact NE2-O 2.91Å; H78-F88 AromaticContact CD2-CD1 3.63Å; H78-F88 AromaticContact CD2-CE1 3.6Å; H78-F88 AromaticContact NE2-CD1 3.79Å; H78-F88 AromaticContact NE2-CE1 3.23Å; H78-F88 WeakPolarHBondContact NE2-CE1 3.36Å
79	T	91.6	Very high	91.6	Very high	55 Å²	55	61.9 Å²	61.9	34%	0.337	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-39.8	167.1	60.3	0	0	0	0	110.7	G38 V77 S87 K89	G38-T79 WeakPolarHBondContact O-CB 3.44Å; G38-T79 PolarHBondContact O-OG1 3.32Å; V77-T79 PolarHBondContact O-N 3.07Å; T79-S87 PolarHBondContact N-O 3.37Å; T79-S87 VanDerWaalsContact OG1-CB 3.26Å; T79-S87 WeakPolarHBondContact OG1-CB 3.38Å; T79-S87 PolarHBondContact OG1-O 2.9Å; T79-S87 VanDerWaalsContact OG1-O 3.11Å; T79-K89 HydrophobicContact CG2-CB 3.67Å
80	K	89.9	Confident	91.5	Very high	152 Å²	152	62.4 Å²	62.4	66%	0.661	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.7	150.2	-177.4	-67.5	-74.7	-175.1	161	0	110.6	G86 S87	K80-G86 WeakPolarHBondContact O-CA 3.45Å; K80-S87 PolarHBondContact O-N 2.88Å
81	G	91	Very high	91.1	Very high	57 Å²	57	62.2 Å²	62.2	59%	0.588	37%	0.371	S	S	*	.	S	Bend	trans	70.4	-169.6	177.3	0	0	0	0	0	113.7	H78	H78-G81 PolarHBondContact CE1-O 3.38Å; H78-G81 VanDerWaalsContact CE1-O 3.27Å; H78-G81 PolarHBondContact ND1-O 3.14Å
82	T	87.9	Confident	89.9	Confident	129 Å²	129	64 Å²	64	79%	0.791	39%	0.387	S	S	*	.	S	Bend	trans	-134.3	139.9	178.8	47.7	0	0	0	0	110.7	H78	H78-T82 WeakPolarHBondContact CE1-CA 3.47Å
83	G	88.6	Confident	88.3	Confident	41 Å²	41	65.2 Å²	65.2	42%	0.423	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	63.1	-166.4	-174.4	0	0	0	0	0	115.3	H78 S85 G86	H78-G83 PolarHBondContact CE1-N 2.92Å; H78-G83 PolarHBondContact CE1-O 3.46Å; H78-G83 PolarHBondContact NE2-O 2.91Å; G83-S85 PolarHBondContact O-N 2.98Å; G83-G86 PolarHBondContact O-N 3.5Å; G83-G86 VanDerWaalsContact O-N 3.12Å
84	A	89.1	Confident	86.3	Confident	19 Å²	19	62 Å²	62	16%	0.157	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-69.7	7	-172.2	0	0	0	0	0	116	A42 R64 I67 K68	A42-A84 VanDerWaalsContact CB-O 3.22Å; A42-A84 WeakPolarHBondContact CB-O 3.46Å; R64-A84 HydrophobicContact CB-CB 4.43Å; I67-A84 HydrophobicContact CB-CB 4.06Å; I67-A84 HydrophobicContact CG2-CB 3.83Å; K68-A84 HydrophobicContact CG-CB 3.95Å
85	S	89.8	Confident	84.4	Confident	109 Å²	109	68.8 Å²	68.8	76%	0.762	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-96.5	-3.3	172.3	-164.8	0	0	0	0	113.1	G83	G83-S85 PolarHBondContact O-N 2.98Å
86	G	92.3	Very high	82.1	Confident	5 Å²	5	68.8 Å²	68.8	5%	0.052	41%	0.407	C	S	.	.	S	Bend	trans	-81	-165.2	-177.5	0	0	0	0	0	114.6	A42 K80 G83 F88	A42-G86 PolarHBondContact N-O 3.37Å; A42-G86 VanDerWaalsContact N-O 3.09Å; K80-G86 WeakPolarHBondContact O-CA 3.45Å; G83-G86 PolarHBondContact O-N 3.5Å; G83-G86 VanDerWaalsContact O-N 3.12Å; G86-F88 VanDerWaalsContact O-CE2 3.25Å; G86-F88 WeakPolarHBondContact O-CE2 3.31Å; G86-F88 WeakPolarHBondContact O-CZ 3.33Å
87	S	92.9	Very high	79.9	Confident	26 Å²	26	78.8 Å²	78.8	18%	0.182	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.9	169.6	-59.6	0	0	0	0	109.9	V40 T79 K80	V40-S87 WeakPolarHBondContact O-CA 3.45Å; T79-S87 PolarHBondContact N-O 3.37Å; T79-S87 VanDerWaalsContact OG1-CB 3.26Å; T79-S87 WeakPolarHBondContact OG1-CB 3.38Å; T79-S87 PolarHBondContact OG1-O 2.9Å; T79-S87 VanDerWaalsContact OG1-O 3.11Å; K80-S87 PolarHBondContact O-N 2.88Å
88	F	93.5	Very high	77.8	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.5	-170.5	-38.3	-73.6	0	0	0	110.6	G39 V40 A42 L45 I67 L71 L76 V77 H78 G86	G39-F88 CarbonylContact C-O 3.52Å; G39-F88 WeakPolarHBondContact CA-O 3.38Å; V40-F88 PolarHBondContact N-O 3.13Å; V40-F88 PolarHBondContact O-N 3.45Å; A42-F88 HydrophobicContact CB-CE2 4.14Å; L45-F88 HydrophobicContact CD1-CD2 3.79Å; L45-F88 HydrophobicContact CD1-CE2 4.09Å; I67-F88 HydrophobicContact CD1-CE2 4.22Å; I67-F88 HydrophobicContact CG2-CD1 4.31Å; I67-F88 HydrophobicContact CG2-CD2 4.24Å; I67-F88 HydrophobicContact CG2-CE1 3.74Å; I67-F88 HydrophobicContact CG2-CE2 3.71Å; I67-F88 HydrophobicContact CG2-CZ 3.44Å; I67-F88 VanDerWaalsContact CG2-CZ 3.44Å; L71-F88 HydrophobicContact CD1-CD1 3.91Å; L71-F88 HydrophobicContact CD1-CE1 3.59Å; L71-F88 HydrophobicContact CD2-CD1 3.78Å; L71-F88 HydrophobicContact CD2-CE1 4.33Å; L71-F88 HydrophobicContact CG-CD1 4.28Å; L71-F88 HydrophobicContact CG-CE1 4.43Å; L76-F88 HydrophobicContact CB-CB 4.35Å; L76-F88 HydrophobicContact CD1-CB 4.3Å; L76-F88 HydrophobicContact CD2-CB 4.5Å; V77-F88 WeakPolarHBondContact O-CA 3.34Å; H78-F88 AromaticContact CD2-CD1 3.63Å; H78-F88 AromaticContact CD2-CE1 3.6Å; H78-F88 AromaticContact NE2-CD1 3.79Å; H78-F88 AromaticContact NE2-CE1 3.23Å; H78-F88 WeakPolarHBondContact NE2-CE1 3.36Å; G86-F88 VanDerWaalsContact O-CE2 3.25Å; G86-F88 WeakPolarHBondContact O-CE2 3.31Å; G86-F88 WeakPolarHBondContact O-CZ 3.33Å
89	K	92.2	Very high	75.8	Confident	112 Å²	112	85.2 Å²	85.2	49%	0.487	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	154.6	171.6	-170.4	170.4	169.1	179.6	0	108.6	V77 T79 S91	V77-K89 PolarHBondContact N-O 2.88Å; V77-K89 PolarHBondContact O-N 3.21Å; T79-K89 HydrophobicContact CG2-CB 3.67Å; K89-S91 PolarHBondContact O-N 3.19Å
90	M	91.7	Very high	74	Confident	57 Å²	57	91 Å²	91	28%	0.281	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	135.6	175.5	-134.6	58.7	77.5	0	0	110.3	V28 V31 A32 L76 S92	V28-M90 HydrophobicContact CB-CE 4.39Å; V28-M90 HydrophobicContact CG1-CE 3.91Å; V28-M90 HydrophobicContact CG1-SD 4.08Å; V28-M90 HydrophobicContact CG2-SD 4.46Å; V28-M90 WeakPolarHBondContact O-CE 3.4Å; V31-M90 HydrophobicContact CB-CE 3.48Å; V31-M90 VanDerWaalsContact CB-CE 3.48Å; V31-M90 HydrophobicContact CG1-CE 3.65Å; V31-M90 HydrophobicContact CG1-SD 4.44Å; A32-M90 HydrophobicContact CB-CE 3.92Å; A32-M90 VanDerWaalsContact N-CE 3.32Å; L76-M90 HydrophobicContact CD2-CE 4.28Å; L76-M90 HydrophobicContact CD2-SD 3.38Å; L76-M90 WeakPolarHBondContact CD2-SD 3.08Å; M90-S92 PolarHBondContact O-N 3.23Å
91	S	86.6	Confident	72.2	Confident	13 Å²	13	89.1 Å²	89.1	9%	0.091	51%	0.512	C	S	.	.			trans	-70.8	112.2	179.2	-171.3	0	0	0	0	109.3	G74 T75 K89 K93 A94	G74-S91 WeakPolarHBondContact O-CB 3.44Å; G74-S91 PolarHBondContact O-OG 3.3Å; T75-S91 WeakPolarHBondContact O-CB 3.13Å; T75-S91 PolarHBondContact O-N 3.38Å; K89-S91 PolarHBondContact O-N 3.19Å; S91-K93 PolarHBondContact O-N 3.5Å; S91-K93 VanDerWaalsContact O-N 3.17Å; S91-K93 PolarHBondContact OG-N 3.17Å; S91-A94 PolarHBondContact O-N 2.92Å
92	S	67.3	Low	70.2	Confident	74 Å²	74	89.9 Å²	89.9	52%	0.517	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-63.6	-18.6	171.4	74	0	0	0	0	111.2	M90 A94 E95 T96	M90-S92 PolarHBondContact O-N 3.23Å; S92-A94 PolarHBondContact O-N 3.49Å; S92-E95 CarbonylContact O-C 3.41Å; S92-E95 WeakPolarHBondContact O-CA 3.23Å; S92-E95 PolarHBondContact O-N 3.44Å; S92-T96 WeakPolarHBondContact O-CA 3.05Å; S92-T96 WeakPolarHBondContact O-CB 3.24Å; S92-T96 PolarHBondContact O-N 3.48Å; S92-T96 PolarHBondContact O-OG1 3.07Å; S92-T96 PolarHBondContact OG-OG1 3.19Å; S92-T96 VanDerWaalsContact OG-OG1 3.09Å
93	K	57.7	Low	68.5	Low	145 Å²	145	87.7 Å²	87.7	63%	0.63	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-66	-15	-179.1	-79	-168.1	177.6	177.3	0	114.3	S91 E95 K97	S91-K93 PolarHBondContact O-N 3.5Å; S91-K93 VanDerWaalsContact O-N 3.17Å; S91-K93 PolarHBondContact OG-N 3.17Å; K93-E95 VanDerWaalsContact C-N 3.27Å; K93-K97 PolarHBondContact O-N 2.7Å
94	A	50.2	Low	66.8	Low	91 Å²	91	96.3 Å²	96.3	75%	0.752	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-70.1	-26.6	168	0	0	0	0	0	112	S91 S92	S91-A94 PolarHBondContact O-N 2.92Å; S92-A94 PolarHBondContact O-N 3.49Å
95	E	50.9	Low	64.8	Low	176 Å²	176	99.6 Å²	99.6	82%	0.822	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-17.2	173.2	-63.1	176.4	130.3	0	0	112.6	S92 K93	S92-E95 CarbonylContact O-C 3.41Å; S92-E95 WeakPolarHBondContact O-CA 3.23Å; S92-E95 PolarHBondContact O-N 3.44Å; K93-E95 VanDerWaalsContact C-N 3.27Å
96	T	44.1	Very low	62.6	Low	50 Å²	50	104.6 Å²	104.6	31%	0.307	57%	0.569	S	S	.	*			trans	-131.1	63.3	-173.3	55.9	0	0	0	0	110.8	S92 A98	S92-T96 WeakPolarHBondContact O-CA 3.05Å; S92-T96 WeakPolarHBondContact O-CB 3.24Å; S92-T96 PolarHBondContact O-N 3.48Å; S92-T96 PolarHBondContact O-OG1 3.07Å; S92-T96 PolarHBondContact OG-OG1 3.19Å; S92-T96 VanDerWaalsContact OG-OG1 3.09Å; T96-A98 PolarHBondContact O-N 3.15Å; T96-A98 VanDerWaalsContact O-N 3.17Å
97	K	45.5	Very low	60.4	Low	213 Å²	213	113.6 Å²	113.6	93%	0.926	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	4.2	145.2	-100.3	-169.1	177.6	-177.8	0	112.4	K93	K93-K97 PolarHBondContact O-N 2.7Å
98	A	48.7	Very low	58.5	Low	87 Å²	87	117.1 Å²	117.1	72%	0.719	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-0.8	-177.9	0	0	0	0	0	116.3	T96	T96-A98 PolarHBondContact O-N 3.15Å; T96-A98 VanDerWaalsContact O-N 3.17Å
99	K	51.3	Low	55.9	Low	179 Å²	179	121.9 Å²	121.9	78%	0.778	67%	0.668	S	S	*	*			trans	-151.3	87.9	172.4	-115.2	167.1	-173.6	-179.3	0	114.5
100	K	53.4	Low	53.6	Low	177 Å²	177	120.9 Å²	120.9	77%	0.77	68%	0.681	S	S	*	*			trans	-24.6	135.1	145.5	-160.4	-152.4	-178.5	-179.8	0	112.9	A102	K100-A102 VanDerWaalsContact CG-N 3.34Å
101	P	51	Low	51.5	Low	112 Å²	112	123.1 Å²	123.1	73%	0.727	71%	0.708	S	S	*	*			trans	-100.8	98.1	135.5	3.5	14.4	0	0	0	105.9
102	A	49.8	Very low	49.4	Very low	72 Å²	72	131.7 Å²	131.7	60%	0.595	74%	0.744	S	S	*	*				61.8	111.3	99.4	0	0	0	0	0	110.8	K100	K100-A102 VanDerWaalsContact CG-N 3.34Å
103	A	51.9	Low	48.2	Very low	84 Å²	84	137.9 Å²	137.9	69%	0.694	76%	0.761	S	S	*	*			trans	-45.7	132.3	179.3	0	0	0	0	0	113
104	K	52.8	Low	47.4	Very low	222 Å²	222	136.8 Å²	136.8	97%	0.965	77%	0.769	S	S	*	*			trans	-108.4	75	142.4	-85.6	-170	175.5	-173.3	0	108.3
105	A	46.7	Very low	46.7	Very low	87 Å²	87	137 Å²	137	72%	0.719	77%	0.771	S	S	*	*			trans	-112.3	97.9	154.3	0	0	0	0	0	107
106	K	44.5	Very low	46.1	Very low	215 Å²	215	133.2 Å²	133.2	94%	0.935	77%	0.77	S	S	*	*			trans	-132.3	91.9	146.6	-88.4	-165.2	176.9	-172.9	0	106.7
107	K	46.8	Very low	45.7	Very low	193 Å²	193	135.5 Å²	135.5	84%	0.839	79%	0.794	S	S	*	*			trans	-85.5	-177.2	154.6	-153.9	-157.6	169.2	-164.3	0	106.6
108	P	51	Low	45.3	Very low	101 Å²	101	129.9 Å²	129.9	66%	0.656	79%	0.787	S	S	*	*				-110.2	-173.1	-77.4	30.5	-12.8	0	0	0	113.1
109	A	40.5	Very low	44.9	Very low	99 Å²	99	130 Å²	130	82%	0.818	79%	0.789	S	S	*	*			trans	86	115.4	151.6	0	0	0	0	0	119.1
110	A	43.3	Very low	44.4	Very low	92 Å²	92	131.4 Å²	131.4	76%	0.76	79%	0.794	S	S	*	*				-168.3	93	128.9	0	0	0	0	0	109.8	K112	A110-K112 PolarHBondContact O-N 2.94Å
111	A	48.2	Very low	43.9	Very low	103 Å²	103	132.9 Å²	132.9	85%	0.851	80%	0.801	S	S	*	*			trans	-67.1	115	148.7	0	0	0	0	0	107.4
112	K	42.1	Very low	43.5	Very low	193 Å²	193	132.9 Å²	132.9	84%	0.839	80%	0.801	S	S	*	*			trans	-150.5	99	161.1	-75.1	-160.9	176	-176.3	0	110.7	A110	A110-K112 PolarHBondContact O-N 2.94Å
113	K	41.3	Very low	42.8	Very low	204 Å²	204	138.9 Å²	138.9	89%	0.887	81%	0.814	S	S	*	*				-73.7	151	129.7	-97.1	-169.1	172.4	-164.3	0	106.4
114	P	41	Very low	42	Very low	122 Å²	122	143.8 Å²	143.8	79%	0.792	82%	0.819	S	S	*	*				-144.8	-174.9	55.6	35.8	-13.1	0	0	0	115.5
115	A	36.8	Very low	41.3	Very low	95 Å²	95	139.1 Å²	139.1	79%	0.785	81%	0.809	S	S	*	*			trans	-52.6	152.9	176	0	0	0	0	0	115.5
116	A	36.6	Very low	41	Very low	97 Å²	97	139.2 Å²	139.2	80%	0.802	81%	0.81	S	S	*	*				151	144.5	120.2	0	0	0	0	0	112.4
117	A	37	Very low	40.6	Very low	99 Å²	99	133.5 Å²	133.5	82%	0.818	80%	0.802	S	S	*	*			trans	80.8	117.5	147.4	0	0	0	0	0	120.6
118	A	36.7	Very low	40.1	Very low	95 Å²	95	134.4 Å²	134.4	79%	0.785	81%	0.806	S	S	*	*				98	102.5	125.5	0	0	0	0	0	119.7
119	A	39.9	Very low	39.5	Very low	90 Å²	90	139 Å²	139	74%	0.744	82%	0.816	S	S	*	*				82.4	93.8	114.8	0	0	0	0	0	119.7
120	K	42.3	Very low	39.7	Very low	207 Å²	207	139 Å²	139	90%	0.9	81%	0.808	S	S	*	*			trans	-146.5	87.9	137.8	-65.9	-164.7	177.5	-172	0	108.2
121	K	42.3	Very low	39.2	Very low	209 Å²	209	139.2 Å²	139.2	91%	0.909	81%	0.81	S	S	*	*				77.1	149.1	104.1	-86.2	-160.2	-179.7	-174.9	0	115.8
122	P	43	Very low	38.6	Very low	111 Å²	111	138.7 Å²	138.7	72%	0.721	81%	0.806	S	S	*	*				-123.1	160.4	-128.4	40.5	-28.2	0	0	0	115
123	K	34.1	Very low	38.3	Very low	199 Å²	199	134.4 Å²	134.4	87%	0.865	81%	0.806	S	S	*	*			trans	167.5	136.6	136.2	-107.2	175.5	173.8	175.2	0	113.7
124	K	34.6	Very low	38.1	Very low	187 Å²	187	129 Å²	129	81%	0.813	80%	0.8	S	S	*	*			trans	75.7	126.4	144.4	-145.2	169.5	-179.8	-162.5	0	114.1
125	V	38.4	Very low	37.9	Very low	123 Å²	123	127.5 Å²	127.5	75%	0.745	80%	0.797	S	S	*	*			cis	-169.3	153.9	33.2	-123	0	0	0	0	110.9
126	A	39.9	Very low	38.2	Very low	89 Å²	89	132.1 Å²	132.1	74%	0.736	80%	0.8	S	S	*	*			trans	62.8	105.8	146.4	0	0	0	0	0	119.8
127	A	36.2	Very low	38.4	Very low	95 Å²	95	136.5 Å²	136.5	79%	0.785	80%	0.801	S	S	*	*				85.8	101.4	72.3	0	0	0	0	0	115.1
128	K	38.2	Very low	38.6	Very low	212 Å²	212	137.3 Å²	137.3	92%	0.922	80%	0.8	S	S	*	*				156.7	118.3	127.9	-90.6	-178.7	169.4	-178.7	0	112.6
129	K	37.8	Very low	39.1	Very low	197 Å²	197	137.8 Å²	137.8	86%	0.857	80%	0.795	S	S	*	*			trans	-77.3	-178.1	157.4	-136.2	-170.8	154.5	-165.8	0	108.1
130	P	45.2	Very low	38.8	Very low	100 Å²	100	142.7 Å²	142.7	65%	0.649	80%	0.8	S	S	*	*			cis	-143.1	178.6	-8	41	-21.3	0	0	0	116.4
131	A	32.3	Very low	38.6	Very low	97 Å²	97	141.7 Å²	141.7	80%	0.802	80%	0.796	S	S	*	*			trans	77.2	154.4	137	0	0	0	0	0	124.1
132	A	35.5	Very low	38.7	Very low	92 Å²	92	135.9 Å²	135.9	76%	0.76	79%	0.786	S	S	*	*			trans	87.7	105.2	165.1	0	0	0	0	0	116.3
133	A	35.2	Very low	38.4	Very low	103 Å²	103	140.3 Å²	140.3	85%	0.851	79%	0.794	S	S	*	*				73.9	136.6	82.5	0	0	0	0	0	111.3
134	A	36.4	Very low	38.8	Very low	91 Å²	91	140.1 Å²	140.1	75%	0.752	79%	0.793	S	S	*	*			cis	-166.4	158.4	-0.4	0	0	0	0	0	107.2
135	A	37	Very low	39.1	Very low	90 Å²	90	137 Å²	137	74%	0.744	79%	0.792	S	S	*	*			trans	48.6	119.9	144.5	0	0	0	0	0	120.7
136	K	43.6	Very low	39.4	Very low	192 Å²	192	135.2 Å²	135.2	84%	0.835	79%	0.791	S	S	*	*				-161.2	106.6	114.4	-103.5	167.6	-172.4	-173	0	112.7
137	K	40.3	Very low	39.5	Very low	189 Å²	189	136.3 Å²	136.3	82%	0.822	79%	0.79	S	S	*	*			trans	58.2	97.6	132.9	-57.6	-174.7	179.3	-171.4	0	119.7
138	S	41.9	Very low	39.6	Very low	116 Å²	116	138.9 Å²	138.9	81%	0.811	79%	0.789	S	S	*	*				18.6	172.1	121.6	-50	0	0	0	0	121.3
139	P	47.6	Very low	39.7	Very low	104 Å²	104	138.5 Å²	138.5	68%	0.675	79%	0.787	S	S	*	*				-143	-177.9	-52.6	41.2	-24	0	0	0	113.2
140	K	34.3	Very low	39.6	Very low	194 Å²	194	139 Å²	139	84%	0.843	79%	0.789	S	S	*	*			trans	69.5	147	151.2	-82.8	172.6	171.5	175.3	0	115.9
141	K	36.2	Very low	39.2	Very low	186 Å²	186	139 Å²	139	81%	0.809	80%	0.799	S	S	*	*			cis	-168.3	153.6	20.3	-156.5	162.1	175.2	178.8	0	109.4
142	A	44.6	Very low	39.4	Very low	86 Å²	86	138.8 Å²	138.8	71%	0.711	80%	0.796	S	S	*	*			trans	-60.8	149.5	166.9	0	0	0	0	0	114.2
143	K	38.1	Very low	39.4	Very low	204 Å²	204	144.4 Å²	144.4	89%	0.887	80%	0.804	S	S	*	*				173.9	127.5	128.8	-108.5	177.7	170.3	-177.1	0	111.9
144	K	42.5	Very low	39.9	Very low	195 Å²	195	144.9 Å²	144.9	85%	0.848	80%	0.8	S	S	*	*			trans	-70.8	146.2	153.4	-139	-179	179.1	-174.9	0	107.6
145	P	40.9	Very low	40.3	Very low	121 Å²	121	146 Å²	146	79%	0.786	80%	0.801	S	S	*	*				-148.2	163.3	87.3	32.8	-12.3	0	0	0	114.6
146	A	44.1	Very low	40.4	Very low	87 Å²	87	151.3 Å²	151.3	72%	0.719	81%	0.807	S	S	*	*			trans	-91.2	150.5	166.7	0	0	0	0	0	109.6
147	P	42	Very low	40	Very low	111 Å²	111	152.5 Å²	152.5	72%	0.721	81%	0.812	S	S	*	*				-156.4	154.8	93.6	35.4	-13.7	0	0	0	118.4
148	I	38.5	Very low	40.1	Very low	150 Å²	150	147.3 Å²	147.3	77%	0.769	80%	0.804	S	S	*	*			trans	51.1	113.2	138.1	-55.1	166.1	0	0	0	120.9
149	K	39.2	Very low	40.1	Very low	204 Å²	204	148.2 Å²	148.2	89%	0.887	81%	0.805	S	S	*	*				170.4	160.1	107.8	-114.7	149.9	-170.2	-175.7	0	113.4
150	K	36.1	Very low	39.6	Very low	206 Å²	206	153.2 Å²	153.2	90%	0.896	82%	0.816	S	S	*	*			trans	-82.1	147.5	-160.9	-59.9	166.4	-178.2	172.3	0	115.4
151	A	36.7	Very low	39.7	Very low	102 Å²	102	153.7 Å²	153.7	84%	0.843	82%	0.818	S	S	*	*			trans	178.3	146.2	132.7	0	0	0	0	0	106.7
152	A	37.7	Very low	39.9	Very low	91 Å²	91	149 Å²	149	75%	0.752	81%	0.814	S	S	*	*			cis	-166.7	161.5	-14.4	0	0	0	0	0	104.5
153	K	35.7	Very low	39.5	Very low	211 Å²	211	150.7 Å²	150.7	92%	0.917	82%	0.815	S	S	*	*			trans	88.7	78.3	173.2	-56.3	175.3	174.2	177.6	0	117.4
154	S	44.9	Very low	39.5	Very low	112 Å²	112	150.6 Å²	150.6	78%	0.783	82%	0.815	S	S	*	*			trans	-98.3	168.2	139.6	-94.7	0	0	0	0	107.5
155	P	45	Very low	39.2	Very low	116 Å²	116	146.9 Å²	146.9	75%	0.753	81%	0.814	S	S	*	*			cis	-145.6	150.6	38.3	24.5	3.1	0	0	0	116.4
156	K	39.5	Very low	39.6	Very low	200 Å²	200	147 Å²	147	87%	0.87	82%	0.815	S	S	*	*				77.8	119.6	70.5	-141.5	-177.9	-170.1	-170.7	0	113.6
157	K	33.8	Very low	39.1	Very low	217 Å²	217	148.2 Å²	148.2	94%	0.943	82%	0.824	S	S	*	*			trans	-134.4	102.7	159.5	-160.2	171.9	-173.1	177.6	0	111.3
158	A	43.3	Very low	39.1	Very low	81 Å²	81	152.9 Å²	152.9	67%	0.669	83%	0.833	S	S	*	*			trans	-148.9	138.7	158.7	0	0	0	0	0	108.5
159	V	41.9	Very low	39	Very low	135 Å²	135	150.7 Å²	150.7	82%	0.818	84%	0.837	S	S	*	*			trans	73.6	122	162.1	-161	0	0	0	0	118
160	K	36.4	Very low	39	Very low	209 Å²	209	145.6 Å²	145.6	91%	0.909	83%	0.833	S	S	*	*				179.4	143.6	118	-95.4	178.9	-176.4	-173.2	0	114.2
161	K	36.1	Very low	39.2	Very low	204 Å²	204	140.1 Å²	140.1	89%	0.887	83%	0.826	S	S	*	*			trans	-107.1	149.6	171.5	-175	-176.3	-174.2	-176.7	0	108.2
162	A	40.3	Very low	39.2	Very low	87 Å²	87	144.4 Å²	144.4	72%	0.719	83%	0.826	S	S	*	*			trans	73.8	137.4	166.5	0	0	0	0	0	115.7
163	T	37.8	Very low	39.1	Very low	122 Å²	122	149.3 Å²	149.3	75%	0.748	83%	0.83	S	S	*	*			cis	-166.7	148.9	30.1	39.6	0	0	0	0	110.2
164	K	36.4	Very low	39.3	Very low	202 Å²	202	143.7 Å²	143.7	88%	0.878	82%	0.823	S	S	*	*			trans	151.8	110.4	130.8	-83.3	177.4	175.1	-177.4	0	113.7
165	S	37.1	Very low	39.2	Very low	117 Å²	117	144.3 Å²	144.3	82%	0.818	83%	0.825	S	S	*	*			trans	-81.8	168.5	152.7	-63.8	0	0	0	0	108.9
166	P	49.7	Very low	39.1	Very low	124 Å²	124	143.1 Å²	143.1	81%	0.805	83%	0.825	S	S	*	*			cis	-144.5	165	34.1	40.1	-19.4	0	0	0	117.3
167	A	33.7	Very low	39.4	Very low	111 Å²	111	143.1 Å²	143.1	92%	0.917	83%	0.825	S	S	*	*			trans	-160.3	107.3	151	0	0	0	0	0	110.9
168	K	40.6	Very low	39.6	Very low	210 Å²	210	142.1 Å²	142.1	91%	0.913	82%	0.82	S	S	*	*			trans	-108.8	120.1	164.1	175.6	-179.9	178.8	-175.7	0	105.9
169	A	37.2	Very low	39.6	Very low	104 Å²	104	144.7 Å²	144.7	86%	0.86	83%	0.828	S	S	*	*			trans	-142.6	134.2	162.6	0	0	0	0	0	108.8
170	A	39.4	Very low	39.8	Very low	96 Å²	96	142.8 Å²	142.8	79%	0.793	83%	0.826	S	S	*	*			trans	-89.7	168.4	-170.6	0	0	0	0	0	113
171	A	40.2	Very low	40.2	Very low	91 Å²	91	142.7 Å²	142.7	75%	0.752	83%	0.826	S	S	*	*			trans	81.4	111.6	156.7	0	0	0	0	0	119.2
172	K	37.3	Very low	40.9	Very low	193 Å²	193	138.7 Å²	138.7	84%	0.839	82%	0.821	S	S	*	*				175.1	126.8	101.2	-94.7	178.6	177.6	-179.7	0	113
173	K	34.7	Very low	41.1	Very low	193 Å²	193	143.9 Å²	143.9	84%	0.839	83%	0.827	S	S	*	*			trans	67.1	118.3	140.4	-66.6	-161.3	170.5	-159.1	0	121.5
174	A	41	Very low	41.6	Very low	93 Å²	93	144.5 Å²	144.5	77%	0.769	83%	0.83	S	S	*	*			trans	-52.2	158.7	146.1	0	0	0	0	0	112
175	P	41.9	Very low	41.7	Very low	126 Å²	126	147.8 Å²	147.8	82%	0.818	85%	0.845	S	S	*	*				-138.6	152.1	101.9	36	-23.5	0	0	0	115
176	A	43.4	Very low	41.9	Very low	91 Å²	91	149.4 Å²	149.4	75%	0.752	85%	0.846	S	S	*	*			trans	-65.1	150.7	169.6	0	0	0	0	0	113.5
177	K	44.6	Very low	41.5	Very low	200 Å²	200	150.7 Å²	150.7	87%	0.87	85%	0.848	S	S	*	*			trans	-169.6	104.2	142.4	-102.6	173.8	-176.9	-174.4	0	106.9
178	K	39	Very low	42	Very low	196 Å²	196	152.9 Å²	152.9	85%	0.852	84%	0.844	S	S	*	*				41.4	115.2	98.7	-71.6	-167.7	178.2	-175.8	0	111.7
179	T	43.7	Very low	42	Very low	135 Å²	135	149.5 Å²	149.5	83%	0.828	84%	0.84	S	S	*	*				-163.3	124.3	83.5	36.2	0	0	0	0	109.9
180	A	44.3	Very low	42.3	Very low	95 Å²	95	152.4 Å²	152.4	79%	0.785	84%	0.839	S	S	*	*				64.4	106.7	88.4	0	0	0	0	0	115.6
181	K	44.8	Very low	42.5	Very low	206 Å²	206	156.1 Å²	156.1	90%	0.896	84%	0.842	S	S	*	*			trans	-43.6	154.8	152.7	-92	177.3	169.6	-176.1	0	111.7
182	P	52.8	Low	42.7	Very low	120 Å²	120	160.8 Å²	160.8	78%	0.779	85%	0.849	S	S	*	*				-151.3	-170.6	76	44.6	-24.5	0	0	0	112
183	K	43.8	Very low	43.1	Very low	197 Å²	197	158.3 Å²	158.3	86%	0.857	85%	0.849	S	S	*	*			cis	-160.6	160.8	1.5	-152.5	163.3	173	170.9	0	108.3
184	V	47.4	Very low	43.8	Very low	135 Å²	135	155.4 Å²	155.4	82%	0.818	85%	0.85	S	S	*	*			trans	-62	130.3	157.8	176.1	0	0	0	0	111
185	K	39	Very low	44.1	Very low	271 Å²	271	161.1 Å²	161.1	100%	1.178	86%	0.858	S	S	*	*				-169.9	0	123.1	-172.9	161.8	-178.5	176	0	108.5

Retrieved 185 of 185 residues in 52.8 ms (Link to these results)

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