A0A077ZA52_TRITR Loading...

Small heat shock protein

AlphaFold DB , UniProt , Accession A0A077ZA52, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	39.8	Very low	244 Å²	244	158.3 Å²	158.3	100%	1.202	83%	0.829	S	S	*	*				0	124.7	0	-83.1	177.3	170.2	0	0	108.8
2	A	37.5	Very low	39.1	Very low	96 Å²	96	163.3 Å²	163.3	79%	0.793	83%	0.829	S	S	*	*			trans	179	81.8	157.1	0	0	0	0	0	105.4
3	L	39.6	Very low	39.5	Very low	147 Å²	147	161 Å²	161	77%	0.77	82%	0.82	S	S	*	*				61.4	102.1	89.2	-61.2	174.3	0	0	0	113.8
4	H	35.9	Very low	40.1	Very low	161 Å²	161	159.5 Å²	159.5	75%	0.745	82%	0.815	S	S	*	*				45.6	123	127.5	-59.8	-65.2	0	0	0	119.9
5	I	36	Very low	40.6	Very low	142 Å²	142	163.4 Å²	163.4	73%	0.728	82%	0.815	S	S	*	*				176.8	123.8	89.3	-94.2	125.1	0	0	0	106.9	T7	I5-T7 HydrophobicContact CG2-CG2 4.25Å; I5-T7 PolarHBondContact O-N 3.18Å; I5-T7 VanDerWaalsContact O-N 3.13Å
6	W	34.8	Very low	40.7	Very low	260 Å²	260	162.9 Å²	162.9	99%	0.985	81%	0.814	S	S	*	*			trans	-66.1	103.6	164.1	-91.1	56.7	0	0	0	108.5	R8	W6-R8 PolarHBondContact O-N 3.39Å; W6-R8 VanDerWaalsContact O-N 3.12Å
7	T	46.8	Very low	40.9	Very low	117 Å²	117	160.4 Å²	160.4	72%	0.718	80%	0.804	S	S	*	*			trans	-73.6	103.2	168	49.6	0	0	0	0	108.5	I5 S9	I5-T7 HydrophobicContact CG2-CG2 4.25Å; I5-T7 PolarHBondContact O-N 3.18Å; I5-T7 VanDerWaalsContact O-N 3.13Å; T7-S9 PolarHBondContact O-N 3.47Å
8	R	41.6	Very low	41.4	Very low	234 Å²	234	158.3 Å²	158.3	88%	0.883	80%	0.804	S	S	*	*			trans	-37.9	98.9	161.9	-168.7	173.7	-173.1	-109.7	4	110.8	W6 P10	W6-R8 PolarHBondContact O-N 3.39Å; W6-R8 VanDerWaalsContact O-N 3.12Å; R8-P10 WeakPolarHBondContact O-CD 3.14Å
9	S	45.2	Very low	41.6	Very low	102 Å²	102	154.3 Å²	154.3	71%	0.713	79%	0.79	S	S	*	*			trans	-64.2	117.6	173.9	-64.1	0	0	0	0	109.7	T7 C11	T7-S9 PolarHBondContact O-N 3.47Å; S9-C11 PolarHBondContact O-N 2.98Å
10	P	41.7	Very low	41.8	Very low	110 Å²	110	156.1 Å²	156.1	71%	0.714	79%	0.793	S	S	*	*			trans	-76.2	115.1	175.2	-10.9	28.7	0	0	0	109	R8 W12	R8-P10 WeakPolarHBondContact O-CD 3.14Å; P10-W12 PolarHBondContact O-N 2.89Å
11	C	42.3	Very low	42	Very low	128 Å²	128	154 Å²	154	87%	0.865	79%	0.79	S	S	*	*			trans	-74.5	32.9	176.3	-51.8	0	0	0	0	113.1	S9 D13	S9-C11 PolarHBondContact O-N 2.98Å; C11-D13 PolarHBondContact O-N 3.17Å
12	W	31.4	Very low	42.9	Very low	218 Å²	218	154.1 Å²	154.1	83%	0.826	78%	0.777	S	S	*	*			trans	-101.6	76	177.3	-70.6	49.7	0	0	0	107.6	P10	P10-W12 PolarHBondContact O-N 2.89Å
13	D	43.6	Very low	43.9	Very low	134 Å²	134	158.8 Å²	158.8	72%	0.717	77%	0.774	S	S	*	*			trans	-109.2	90.3	156.5	-166.9	1.8	0	0	0	107.6	C11 R15	C11-D13 PolarHBondContact O-N 3.17Å; D13-R15 PolarHBondContact O-N 3.35Å; D13-R15 VanDerWaalsContact O-N 3.08Å
14	D	48.8	Very low	45.2	Very low	140 Å²	140	156.4 Å²	156.4	75%	0.749	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	23.1	-172	-97.2	-44.8	0	0	0	114.2
15	R	47.7	Very low	46.7	Very low	218 Å²	218	153.5 Å²	153.5	82%	0.823	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-8.7	-171.3	-64.4	-163.1	-149.2	-174.4	8	117.2	D13	D13-R15 PolarHBondContact O-N 3.35Å; D13-R15 VanDerWaalsContact O-N 3.08Å
16	I	42.3	Very low	48.6	Very low	156 Å²	156	153.9 Å²	153.9	80%	0.8	75%	0.747	S	S	*	*	S	Bend	trans	-147.9	83	-177.5	-45.2	178.6	0	0	0	112.2
17	N	43.6	Very low	50.7	Low	120 Å²	120	142.2 Å²	142.2	64%	0.642	71%	0.707	S	S	*	*			trans	-161.7	108.2	136.4	-146.9	-2.9	0	0	0	113	C19	N17-C19 PolarHBondContact O-N 2.91Å
18	P	49.4	Very low	52.1	Low	123 Å²	123	140 Å²	140	80%	0.799	69%	0.689	S	S	*	*			trans	-81.7	64.7	170.7	35.4	-31.6	0	0	0	109.8
19	C	45.5	Very low	53.8	Low	81 Å²	81	133.1 Å²	133.1	55%	0.547	67%	0.668	S	S	.	*			trans	-102.4	6	173.2	-85.7	0	0	0	0	113.7	N17 P21	N17-C19 PolarHBondContact O-N 2.91Å; C19-P21 VanDerWaalsContact O-CD 3.32Å; C19-P21 WeakPolarHBondContact O-CD 3.47Å
20	F	45	Very low	55.3	Low	191 Å²	191	132.4 Å²	132.4	84%	0.838	66%	0.657	S	S	*	*			trans	-116.3	85.3	172	-58.1	-73.5	0	0	0	109.2	R22	F20-R22 PolarHBondContact O-N 2.93Å
21	P	47	Very low	57	Low	113 Å²	113	134.6 Å²	134.6	73%	0.734	65%	0.651	S	S	*	*			trans	-51.3	131.9	157.8	-14.4	27.4	0	0	0	106.8	C19 R23	C19-P21 VanDerWaalsContact O-CD 3.32Å; C19-P21 WeakPolarHBondContact O-CD 3.47Å; P21-R23 PolarHBondContact O-N 2.63Å
22	R	54.7	Low	58.8	Low	245 Å²	245	135 Å²	135	93%	0.925	64%	0.642	S	S	*	*			trans	-39	113.7	179.3	-85.2	-167.2	-172.5	-132.5	5	109.1	F20 D24	F20-R22 PolarHBondContact O-N 2.93Å; R22-D24 PolarHBondContact O-N 3.36Å
23	R	59.8	Low	61	Low	194 Å²	194	127.2 Å²	127.2	73%	0.732	62%	0.623	S	S	*	*			trans	-53	103.4	179.1	-165.6	171.6	170.3	-176.3	-5.8	107.7	P21 M25 E28	P21-R23 PolarHBondContact O-N 2.63Å; R23-M25 PolarHBondContact O-N 2.87Å; R23-E28 IonicContact CZ-OE2 3.43Å; R23-E28 IonicContact NE-OE1 2.96Å; R23-E28 PolarHBondContact NE-OE1 3.08Å; R23-E28 IonicContact NE-OE2 3.21Å; R23-E28 PolarHBondContact NE-OE2 3.45Å; R23-E28 IonicContact NH2-OE1 2.79Å; R23-E28 IonicContact NH2-OE2 3.72Å; R23-E28 PolarHBondContact NH2-OE2 2.86Å
24	D	66.2	Low	62.6	Low	98 Å²	98	128.2 Å²	128.2	52%	0.524	62%	0.617	S	S	.	*			trans	-68.5	87.9	178.1	177.4	13.1	0	0	0	107.9	R22 F26 G27 E28	R22-D24 PolarHBondContact O-N 3.36Å; D24-F26 PolarHBondContact O-N 3.08Å; D24-F26 WeakPolarHBondContact OD1-CB 3.33Å; D24-F26 PolarHBondContact OD1-N 3.31Å; D24-G27 WeakPolarHBondContact O-CA 3.46Å; D24-G27 PolarHBondContact O-N 3.43Å; D24-G27 VanDerWaalsContact O-N 3.1Å; D24-G27 PolarHBondContact OD1-N 2.8Å; D24-G27 VanDerWaalsContact OD2-CA 3.31Å; D24-G27 WeakPolarHBondContact OD2-CA 3.31Å; D24-G27 PolarHBondContact OD2-N 3.2Å; D24-E28 PolarHBondContact O-N 2.96Å
25	M	66.4	Low	64	Low	100 Å²	100	127 Å²	127	49%	0.493	61%	0.607	S	S	.	*	H	α-helix	trans	-60.9	-33.9	179.9	-167.8	-141.9	64.8	0	0	110.4	R23 E28 I29	R23-M25 PolarHBondContact O-N 2.87Å; M25-E28 PolarHBondContact O-N 3.26Å; M25-I29 HydrophobicContact CE-CD1 3.43Å; M25-I29 VanDerWaalsContact CE-CD1 3.43Å; M25-I29 HydrophobicContact CE-CG1 4.47Å; M25-I29 WeakPolarHBondContact O-CG1 3.44Å; M25-I29 PolarHBondContact O-N 2.92Å; M25-I29 HydrophobicContact SD-CD1 4.31Å
26	F	77.7	Confident	65.5	Low	149 Å²	149	120.8 Å²	120.8	65%	0.654	59%	0.593	S	S	*	*	H	α-helix	trans	-68	-39.2	174.7	-70.1	-76	0	0	0	111.2	D24 I29 N30	D24-F26 PolarHBondContact O-N 3.08Å; D24-F26 WeakPolarHBondContact OD1-CB 3.33Å; D24-F26 PolarHBondContact OD1-N 3.31Å; F26-I29 PolarHBondContact O-N 2.77Å; F26-N30 VanDerWaalsContact O-CB 3.31Å; F26-N30 WeakPolarHBondContact O-CB 3.31Å; F26-N30 VanDerWaalsContact O-CG 3.25Å; F26-N30 PolarHBondContact O-N 2.82Å; F26-N30 PolarHBondContact O-ND2 3.41Å
27	G	77.6	Confident	67.1	Low	15 Å²	15	119.5 Å²	119.5	16%	0.155	58%	0.583	C	S	.	*	H	α-helix	trans	-62.2	-39.6	171.6	0	0	0	0	0	113.6	D24 R31	D24-G27 WeakPolarHBondContact O-CA 3.46Å; D24-G27 PolarHBondContact O-N 3.43Å; D24-G27 VanDerWaalsContact O-N 3.1Å; D24-G27 PolarHBondContact OD1-N 2.8Å; D24-G27 VanDerWaalsContact OD2-CA 3.31Å; D24-G27 WeakPolarHBondContact OD2-CA 3.31Å; D24-G27 PolarHBondContact OD2-N 3.2Å; G27-R31 WeakPolarHBondContact O-CB 3.36Å; G27-R31 WeakPolarHBondContact O-CG 3.46Å; G27-R31 PolarHBondContact O-N 2.92Å
28	E	76.2	Confident	68.7	Low	71 Å²	71	118.4 Å²	118.4	33%	0.332	58%	0.578	S	S	.	*	H	α-helix	trans	-65.2	-46.7	172.5	-74.4	-170.7	166.7	0	0	112.1	R23 D24 M25 N30 R31 M32	R23-E28 IonicContact CZ-OE2 3.43Å; R23-E28 IonicContact NE-OE1 2.96Å; R23-E28 PolarHBondContact NE-OE1 3.08Å; R23-E28 IonicContact NE-OE2 3.21Å; R23-E28 PolarHBondContact NE-OE2 3.45Å; R23-E28 IonicContact NH2-OE1 2.79Å; R23-E28 IonicContact NH2-OE2 3.72Å; R23-E28 PolarHBondContact NH2-OE2 2.86Å; D24-E28 PolarHBondContact O-N 2.96Å; M25-E28 PolarHBondContact O-N 3.26Å; E28-N30 VanDerWaalsContact C-N 3.34Å; E28-N30 PolarHBondContact O-N 3.22Å; E28-R31 WeakPolarHBondContact O-CB 3.38Å; E28-R31 PolarHBondContact O-N 2.63Å; E28-M32 WeakPolarHBondContact O-CB 3.46Å; E28-M32 PolarHBondContact O-N 3.43Å
29	I	77.9	Confident	70	Confident	89 Å²	89	116.8 Å²	116.8	46%	0.456	56%	0.562	S	S	.	*	H	α-helix	trans	-60.6	-45	176.1	-69	175.2	0	0	0	110.6	M25 F26 R31 M32 A33	M25-I29 HydrophobicContact CE-CD1 3.43Å; M25-I29 VanDerWaalsContact CE-CD1 3.43Å; M25-I29 HydrophobicContact CE-CG1 4.47Å; M25-I29 WeakPolarHBondContact O-CG1 3.44Å; M25-I29 PolarHBondContact O-N 2.92Å; M25-I29 HydrophobicContact SD-CD1 4.31Å; F26-I29 PolarHBondContact O-N 2.77Å; I29-R31 VanDerWaalsContact C-N 3.33Å; I29-R31 PolarHBondContact O-N 3.3Å; I29-M32 PolarHBondContact O-N 3.16Å; I29-M32 VanDerWaalsContact O-N 3.16Å; I29-A33 WeakPolarHBondContact O-CB 3.48Å; I29-A33 PolarHBondContact O-N 3.32Å
30	N	77.4	Confident	71.1	Confident	87 Å²	87	115.5 Å²	115.5	47%	0.465	55%	0.554	S	S	.	*	H	α-helix	trans	-63.9	-37.1	177.4	-76.1	-24.3	0	0	0	112.1	F26 E28 R34	F26-N30 VanDerWaalsContact O-CB 3.31Å; F26-N30 WeakPolarHBondContact O-CB 3.31Å; F26-N30 VanDerWaalsContact O-CG 3.25Å; F26-N30 PolarHBondContact O-N 2.82Å; F26-N30 PolarHBondContact O-ND2 3.41Å; E28-N30 VanDerWaalsContact C-N 3.34Å; E28-N30 PolarHBondContact O-N 3.22Å; N30-R34 WeakPolarHBondContact O-CG 3.32Å; N30-R34 PolarHBondContact O-N 3.1Å; N30-R34 VanDerWaalsContact O-N 3.08Å
31	R	76.4	Confident	72.1	Confident	156 Å²	156	115.1 Å²	115.1	59%	0.589	55%	0.547	S	S	*	.	H	α-helix	trans	-63.5	-42.6	172.1	-82.7	-173.5	-73.4	-155.1	1.6	111.7	G27 E28 I29 R34 H35	G27-R31 WeakPolarHBondContact O-CB 3.36Å; G27-R31 WeakPolarHBondContact O-CG 3.46Å; G27-R31 PolarHBondContact O-N 2.92Å; E28-R31 WeakPolarHBondContact O-CB 3.38Å; E28-R31 PolarHBondContact O-N 2.63Å; I29-R31 VanDerWaalsContact C-N 3.33Å; I29-R31 PolarHBondContact O-N 3.3Å; R31-R34 PolarHBondContact O-N 2.91Å; R31-H35 PolarHBondContact O-N 2.71Å
32	M	79.9	Confident	73	Confident	138 Å²	138	113.1 Å²	113.1	68%	0.68	54%	0.54	S	S	*	.	H	α-helix	trans	-70	-39.8	179.8	-162.6	137.5	161.8	0	0	111.8	E28 I29 R34 H35 V36	E28-M32 WeakPolarHBondContact O-CB 3.46Å; E28-M32 PolarHBondContact O-N 3.43Å; I29-M32 PolarHBondContact O-N 3.16Å; I29-M32 VanDerWaalsContact O-N 3.16Å; M32-R34 PolarHBondContact O-N 3.39Å; M32-H35 WeakPolarHBondContact O-CB 3.19Å; M32-H35 PolarHBondContact O-N 3.5Å; M32-H35 VanDerWaalsContact O-N 3.1Å; M32-V36 WeakPolarHBondContact O-CG2 3.33Å; M32-V36 PolarHBondContact O-N 3.15Å
33	A	77.9	Confident	73.4	Confident	53 Å²	53	109.5 Å²	109.5	44%	0.438	53%	0.531	S	S	.	.	H	α-helix	trans	-59.6	-45.7	174	0	0	0	0	0	111.4	I29 H35 V36 E37	I29-A33 WeakPolarHBondContact O-CB 3.48Å; I29-A33 PolarHBondContact O-N 3.32Å; A33-H35 VanDerWaalsContact C-N 3.31Å; A33-H35 PolarHBondContact O-N 2.98Å; A33-V36 PolarHBondContact O-N 3.5Å; A33-E37 WeakPolarHBondContact O-CB 3.28Å; A33-E37 PolarHBondContact O-N 2.88Å
34	R	78.1	Confident	73.6	Confident	155 Å²	155	107.4 Å²	107.4	59%	0.585	53%	0.533	S	S	*	.	H	α-helix	trans	-62.5	-36.5	172.9	-69.9	-178.6	-154.7	143.6	3.5	112.6	N30 R31 M32 E37 N38	N30-R34 WeakPolarHBondContact O-CG 3.32Å; N30-R34 PolarHBondContact O-N 3.1Å; N30-R34 VanDerWaalsContact O-N 3.08Å; R31-R34 PolarHBondContact O-N 2.91Å; M32-R34 PolarHBondContact O-N 3.39Å; R34-E37 PolarHBondContact O-N 3Å; R34-N38 VanDerWaalsContact O-CB 3.28Å; R34-N38 WeakPolarHBondContact O-CB 3.39Å; R34-N38 PolarHBondContact O-N 3.12Å; R34-N38 PolarHBondContact O-ND2 3.13Å; R34-N38 VanDerWaalsContact O-ND2 3.15Å
35	H	78.1	Confident	73.3	Confident	115 Å²	115	105 Å²	105	53%	0.532	53%	0.527	S	S	.	.	H	α-helix	trans	-64.4	-44.3	176.1	-171.3	76.5	0	0	0	111.6	R31 M32 A33 N38 L39	R31-H35 PolarHBondContact O-N 2.71Å; M32-H35 WeakPolarHBondContact O-CB 3.19Å; M32-H35 PolarHBondContact O-N 3.5Å; M32-H35 VanDerWaalsContact O-N 3.1Å; A33-H35 VanDerWaalsContact C-N 3.31Å; A33-H35 PolarHBondContact O-N 2.98Å; H35-N38 PolarHBondContact O-N 3.28Å; H35-L39 WeakPolarHBondContact O-CB 3.46Å; H35-L39 WeakPolarHBondContact O-CG 3.41Å; H35-L39 PolarHBondContact O-N 3.41Å
36	V	78.5	Confident	72.4	Confident	87 Å²	87	106 Å²	106	53%	0.527	54%	0.541	S	S	.	.	H	α-helix	trans	-65.2	-41.5	176	175.1	0	0	0	0	111.4	M32 A33 L39 S40	M32-V36 WeakPolarHBondContact O-CG2 3.33Å; M32-V36 PolarHBondContact O-N 3.15Å; A33-V36 PolarHBondContact O-N 3.5Å; V36-L39 PolarHBondContact O-N 2.87Å; V36-S40 PolarHBondContact O-N 3.48Å; V36-S40 PolarHBondContact O-OG 3.01Å
37	E	75.8	Confident	71	Confident	130 Å²	130	105.7 Å²	105.7	61%	0.607	54%	0.539	S	S	*	.	H	α-helix	trans	-63.7	-44.5	176.2	-166.6	173	-167.8	0	0	111	A33 R34 L39 S40 R41	A33-E37 WeakPolarHBondContact O-CB 3.28Å; A33-E37 PolarHBondContact O-N 2.88Å; R34-E37 PolarHBondContact O-N 3Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 2.84Å; E37-S40 WeakPolarHBondContact CA-OG 3.49Å; E37-S40 PolarHBondContact O-N 3.28Å; E37-S40 PolarHBondContact O-OG 3.1Å; E37-R41 WeakPolarHBondContact O-CB 3.46Å; E37-R41 PolarHBondContact O-N 3.48Å
38	N	76.9	Confident	69.5	Low	97 Å²	97	110.8 Å²	110.8	52%	0.519	57%	0.568	S	S	.	*	H	α-helix	trans	-59.4	-41.9	173.1	-73.7	-26	0	0	0	112.4	R34 H35 R41 A42	R34-N38 VanDerWaalsContact O-CB 3.28Å; R34-N38 WeakPolarHBondContact O-CB 3.39Å; R34-N38 PolarHBondContact O-N 3.12Å; R34-N38 PolarHBondContact O-ND2 3.13Å; R34-N38 VanDerWaalsContact O-ND2 3.15Å; H35-N38 PolarHBondContact O-N 3.28Å; N38-R41 PolarHBondContact O-N 3.48Å; N38-A42 WeakPolarHBondContact O-CB 3.4Å; N38-A42 PolarHBondContact O-N 3.02Å
39	L	77.1	Confident	68.5	Low	89 Å²	89	117.2 Å²	117.2	47%	0.466	59%	0.591	S	S	.	*	H	α-helix	trans	-64.6	-41.9	174.8	-76.8	169.2	0	0	0	112.1	H35 V36 E37 R41 A42 K43	H35-L39 WeakPolarHBondContact O-CB 3.46Å; H35-L39 WeakPolarHBondContact O-CG 3.41Å; H35-L39 PolarHBondContact O-N 3.41Å; V36-L39 PolarHBondContact O-N 2.87Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 2.84Å; L39-R41 VanDerWaalsContact C-N 3.35Å; L39-A42 WeakPolarHBondContact O-CB 3.37Å; L39-A42 PolarHBondContact O-N 2.92Å; L39-K43 WeakPolarHBondContact O-CG 3.46Å; L39-K43 PolarHBondContact O-N 3.45Å; L39-K43 VanDerWaalsContact O-N 3.09Å
40	S	69.1	Low	67.1	Low	54 Å²	54	119.6 Å²	119.6	38%	0.378	60%	0.604	S	S	.	*	H	α-helix	trans	-65.1	-39.2	176.3	70.7	0	0	0	0	111.8	V36 E37 A42 K43 L44	V36-S40 PolarHBondContact O-N 3.48Å; V36-S40 PolarHBondContact O-OG 3.01Å; E37-S40 WeakPolarHBondContact CA-OG 3.49Å; E37-S40 PolarHBondContact O-N 3.28Å; E37-S40 PolarHBondContact O-OG 3.1Å; S40-A42 VanDerWaalsContact C-N 3.34Å; S40-K43 WeakPolarHBondContact O-CB 3.45Å; S40-K43 PolarHBondContact O-N 2.91Å; S40-K43 VanDerWaalsContact O-N 3.15Å; S40-L44 PolarHBondContact O-N 3.31Å; S40-L44 VanDerWaalsContact O-N 3.1Å
41	R	66.1	Low	65.7	Low	183 Å²	183	124 Å²	124	69%	0.691	62%	0.622	S	S	*	*	H	α-helix	trans	-67	-36.4	174.7	-167.5	165.1	79.7	119	-1.1	111.8	E37 N38 L39 K43 L44 A45	E37-R41 WeakPolarHBondContact O-CB 3.46Å; E37-R41 PolarHBondContact O-N 3.48Å; N38-R41 PolarHBondContact O-N 3.48Å; L39-R41 VanDerWaalsContact C-N 3.35Å; R41-K43 VanDerWaalsContact C-N 3.26Å; R41-K43 PolarHBondContact O-N 2.89Å; R41-L44 CarbonylContact O-C 3.54Å; R41-L44 PolarHBondContact O-N 2.91Å; R41-A45 PolarHBondContact O-N 3.19Å
42	A	66	Low	64.4	Low	71 Å²	71	124 Å²	124	59%	0.587	63%	0.63	S	S	*	*	H	α-helix	trans	-62.5	-33.6	172.4	0	0	0	0	0	112.2	N38 L39 S40	N38-A42 WeakPolarHBondContact O-CB 3.4Å; N38-A42 PolarHBondContact O-N 3.02Å; L39-A42 WeakPolarHBondContact O-CB 3.37Å; L39-A42 PolarHBondContact O-N 2.92Å; S40-A42 VanDerWaalsContact C-N 3.34Å
43	K	62.3	Low	63.1	Low	169 Å²	169	122.7 Å²	122.7	74%	0.735	63%	0.632	S	S	*	*	H	α-helix	trans	-73.3	-26.8	174	-68.2	-180	-177.5	-173.3	0	114	L39 S40 R41	L39-K43 WeakPolarHBondContact O-CG 3.46Å; L39-K43 PolarHBondContact O-N 3.45Å; L39-K43 VanDerWaalsContact O-N 3.09Å; S40-K43 WeakPolarHBondContact O-CB 3.45Å; S40-K43 PolarHBondContact O-N 2.91Å; S40-K43 VanDerWaalsContact O-N 3.15Å; R41-K43 VanDerWaalsContact C-N 3.26Å; R41-K43 PolarHBondContact O-N 2.89Å
44	L	64.8	Low	61.9	Low	149 Å²	149	125.8 Å²	125.8	78%	0.78	65%	0.645	S	S	*	*	H	α-helix	trans	-93.6	-10.6	177.3	-64.4	178.7	0	0	0	113.2	S40 R41	S40-L44 PolarHBondContact O-N 3.31Å; S40-L44 VanDerWaalsContact O-N 3.1Å; R41-L44 CarbonylContact O-C 3.54Å; R41-L44 PolarHBondContact O-N 2.91Å
45	A	59.1	Low	60.6	Low	48 Å²	48	125.7 Å²	125.7	40%	0.397	66%	0.655	S	S	.	*	S	Bend	trans	-57.9	138.1	173.2	0	0	0	0	0	108.4	R41 F47	R41-A45 PolarHBondContact O-N 3.19Å; A45-F47 PolarHBondContact O-N 3.42Å
46	P	47.2	Very low	59.2	Low	121 Å²	121	123.3 Å²	123.3	79%	0.786	66%	0.661	S	S	*	*			trans	-51.8	120.4	175.3	-20.5	30.3	0	0	0	107.9	T48	P46-T48 VanDerWaalsContact C-N 3.32Å; P46-T48 PolarHBondContact O-N 3.41Å
47	F	48.8	Very low	57.8	Low	142 Å²	142	122.3 Å²	122.3	62%	0.623	66%	0.658	S	S	*	*			trans	-51	94.7	177.8	-102.8	-106	0	0	0	109.3	A45 Y49	A45-F47 PolarHBondContact O-N 3.42Å; F47-Y49 HydrophobicContact CB-CD2 4.24Å; F47-Y49 HydrophobicContact CB-CE2 4.07Å; F47-Y49 HydrophobicContact CD1-CE1 4.45Å; F47-Y49 PolarHBondContact O-N 2.86Å
48	T	46	Very low	56.8	Low	123 Å²	123	120.2 Å²	120.2	76%	0.755	66%	0.663	S	S	*	*			trans	-73.7	108.3	154.8	51.3	0	0	0	0	104.6	P46 D50	P46-T48 VanDerWaalsContact C-N 3.32Å; P46-T48 PolarHBondContact O-N 3.41Å; T48-D50 PolarHBondContact O-N 3.2Å; T48-D50 VanDerWaalsContact O-N 3.1Å
49	Y	54.9	Low	55.6	Low	206 Å²	206	124.3 Å²	124.3	81%	0.808	68%	0.679	S	S	*	*			trans	-66.1	-4.8	-172.9	-90.8	-89.3	0	0	0	114.9	F47	F47-Y49 HydrophobicContact CB-CD2 4.24Å; F47-Y49 HydrophobicContact CB-CE2 4.07Å; F47-Y49 HydrophobicContact CD1-CE1 4.45Å; F47-Y49 PolarHBondContact O-N 2.86Å
50	D	48.9	Very low	54.5	Low	139 Å²	139	129.8 Å²	129.8	74%	0.743	69%	0.694	S	S	*	*	S	Bend	trans	-94.7	124.2	175.2	-90.8	-55	0	0	0	110	T48	T48-D50 PolarHBondContact O-N 3.2Å; T48-D50 VanDerWaalsContact O-N 3.1Å
51	E	47.7	Very low	54.3	Low	178 Å²	178	132 Å²	132	83%	0.832	70%	0.698	S	S	*	*			trans	79	53.7	165.4	-49.9	-176	122.5	0	0	116.1	P53	E51-P53 WeakPolarHBondContact O-CD 3.35Å
52	M	48.9	Very low	54.9	Low	156 Å²	156	129.4 Å²	129.4	77%	0.768	70%	0.697	S	S	*	*			trans	-59.7	116.9	137.5	-78.3	179.9	68.1	0	0	106.9	V54	M52-V54 PolarHBondContact O-N 3.41Å
53	P	52.2	Low	56	Low	111 Å²	111	128.6 Å²	128.6	72%	0.721	69%	0.687	S	S	*	*			trans	-62.5	111.4	169.1	25	-29.2	0	0	0	105.6	E51 I55	E51-P53 WeakPolarHBondContact O-CD 3.35Å; P53-I55 PolarHBondContact O-N 3.15Å
54	V	53.3	Low	57.5	Low	118 Å²	118	123.3 Å²	123.3	72%	0.715	67%	0.671	S	S	*	*			trans	-59.6	96.6	166.1	-179	0	0	0	0	104	M52 G56	M52-V54 PolarHBondContact O-N 3.41Å; V54-G56 VanDerWaalsContact C-N 3.33Å; V54-G56 PolarHBondContact O-N 3.1Å
55	I	51.5	Low	59	Low	153 Å²	153	119.5 Å²	119.5	79%	0.785	65%	0.654	S	S	*	*			trans	-48.3	109.6	168.2	-64.5	172.3	0	0	0	103.2	P53 S57	P53-I55 PolarHBondContact O-N 3.15Å; I55-S57 PolarHBondContact O-N 3.09Å
56	G	49	Very low	60.7	Low	65 Å²	65	119.6 Å²	119.6	67%	0.67	65%	0.649	S	S	*	*			trans	-40.6	113.8	-167	0	0	0	0	0	107.2	V54 A58	V54-G56 VanDerWaalsContact C-N 3.33Å; V54-G56 PolarHBondContact O-N 3.1Å; G56-A58 VanDerWaalsContact C-N 3.25Å; G56-A58 PolarHBondContact O-N 2.93Å
57	S	49.3	Very low	62.9	Low	66 Å²	66	118.1 Å²	118.1	46%	0.462	64%	0.635	S	S	.	*			trans	-55.4	104.6	179.5	-74.8	0	0	0	0	104.2	I55 E59	I55-S57 PolarHBondContact O-N 3.09Å; S57-E59 WeakPolarHBondContact O-CA 3.5Å; S57-E59 PolarHBondContact O-N 3.41Å
58	A	53.6	Low	64.9	Low	86 Å²	86	115.2 Å²	115.2	71%	0.711	63%	0.626	S	S	*	*			trans	-41.1	112.4	170.8	0	0	0	0	0	104.2	G56 R60	G56-A58 VanDerWaalsContact C-N 3.25Å; G56-A58 PolarHBondContact O-N 2.93Å; A58-R60 VanDerWaalsContact C-N 3.31Å; A58-R60 WeakPolarHBondContact O-CA 3.49Å; A58-R60 WeakPolarHBondContact O-CG 3.05Å; A58-R60 PolarHBondContact O-N 2.67Å
59	E	51.5	Low	66.9	Low	183 Å²	183	116.9 Å²	116.9	86%	0.855	63%	0.625	S	S	*	*			trans	-45	103.3	-165.4	-64.8	176.9	167.1	0	0	106.1	S57 E61	S57-E59 WeakPolarHBondContact O-CA 3.5Å; S57-E59 PolarHBondContact O-N 3.41Å; E59-E61 PolarHBondContact O-N 2.64Å
60	R	55	Low	68.6	Low	205 Å²	205	115.3 Å²	115.3	77%	0.774	62%	0.622	S	S	*	*			trans	-72.1	92.6	-176.9	-67.4	-168.8	-168.4	104.4	0.9	102.5	A58 I62	A58-R60 VanDerWaalsContact C-N 3.31Å; A58-R60 WeakPolarHBondContact O-CA 3.49Å; A58-R60 WeakPolarHBondContact O-CG 3.05Å; A58-R60 PolarHBondContact O-N 2.67Å; R60-I62 VanDerWaalsContact C-N 3.32Å; R60-I62 WeakPolarHBondContact O-CG1 3.23Å; R60-I62 PolarHBondContact O-N 3.24Å
61	E	63.6	Low	70.7	Confident	101 Å²	101	112.1 Å²	112.1	47%	0.472	60%	0.602	S	S	.	*			trans	-48.6	107.8	165.6	-73	-177.5	168.4	0	0	105.2	E59 S63 R117	E59-E61 PolarHBondContact O-N 2.64Å; E61-S63 PolarHBondContact O-N 3.15Å; E61-S63 PolarHBondContact O-OG 2.81Å; E61-R117 IonicContact OE2-CZ 3.3Å; E61-R117 IonicContact OE2-NE 3.9Å; E61-R117 PolarHBondContact OE2-NE 3.48Å; E61-R117 IonicContact OE2-NH2 3.82Å; E61-R117 PolarHBondContact OE2-NH2 3.22Å
62	I	80.3	Confident	73	Confident	128 Å²	128	103.9 Å²	103.9	66%	0.656	56%	0.563	S	S	*	*			trans	-71.6	93.1	-174.6	-58.2	175.7	0	0	0	105.1	R60 D77	R60-I62 VanDerWaalsContact C-N 3.32Å; R60-I62 WeakPolarHBondContact O-CG1 3.23Å; R60-I62 PolarHBondContact O-N 3.24Å; I62-D77 PolarHBondContact O-N 2.83Å
63	S	88.7	Confident	75.3	Confident	54 Å²	54	98.1 Å²	98.1	38%	0.378	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.1	175.6	57.3	0	0	0	0	108.1	E61 S75	E61-S63 PolarHBondContact O-N 3.15Å; E61-S63 PolarHBondContact O-OG 2.81Å; S63-S75 CarbonylContact C-O 3.55Å; S63-S75 VanDerWaalsContact CA-O 3.32Å; S63-S75 WeakPolarHBondContact CA-O 3.11Å
64	S	93.7	Very high	77.4	Confident	57 Å²	57	92.9 Å²	92.9	40%	0.399	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.2	176.4	66.5	0	0	0	0	110	V74 S75	S64-V74 WeakPolarHBondContact O-CA 3.15Å; S64-S75 PolarHBondContact N-O 3.46Å; S64-S75 PolarHBondContact O-N 2.87Å; S64-S75 WeakPolarHBondContact OG-CB 3.47Å
65	V	95.7	Very high	79.5	Confident	70 Å²	70	87.9 Å²	87.9	42%	0.424	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.9	176.5	-177.2	0	0	0	0	108.2	F72 Q73 V74 Y119	V65-F72 HydrophobicContact CG1-CE2 3.73Å; V65-F72 HydrophobicContact CG1-CZ 4.18Å; V65-Q73 CarbonylContact C-O 3.59Å; V65-Q73 WeakPolarHBondContact CA-O 3.21Å; V65-V74 HydrophobicContact CG1-CG2 4.36Å; V65-V74 HydrophobicContact CG2-CG1 4.49Å; V65-V74 HydrophobicContact CG2-CG2 4.28Å; V65-Y119 HydrophobicContact CG2-CD1 3.75Å; V65-Y119 HydrophobicContact CG2-CE1 3.48Å; V65-Y119 VanDerWaalsContact CG2-CE1 3.48Å
66	V	95	Very high	81.6	Confident	50 Å²	50	81 Å²	81	30%	0.303	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.2	174.3	179.6	0	0	0	0	107.8	D68 F72 Q73	V66-D68 VanDerWaalsContact CG1-OD2 3.27Å; V66-D68 WeakPolarHBondContact CG1-OD2 3.43Å; V66-F72 CarbonylContact O-C 3.55Å; V66-F72 WeakPolarHBondContact O-CA 3.37Å; V66-Q73 HydrophobicContact CB-CB 4.29Å; V66-Q73 PolarHBondContact N-O 2.81Å; V66-Q73 PolarHBondContact O-N 2.86Å
67	N	93.9	Very high	83.8	Confident	89 Å²	89	80.1 Å²	80.1	48%	0.476	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	73.8	-174.3	-171.8	22.5	0	0	0	110.3	F72 P122 K146	N67-F72 HydrophobicContact CB-CD2 4.21Å; N67-P122 WeakPolarHBondContact OD1-CG 3.49Å; N67-K146 WeakPolarHBondContact OD1-CE 3.39Å; N67-K146 PolarHBondContact OD1-NZ 2.96Å
68	D	91.1	Very high	86	Confident	82 Å²	82	77.2 Å²	77.2	44%	0.439	40%	0.395	S	S	.	.			trans	-86.6	172.5	-178	-60.4	-39.1	0	0	0	111.5	V66 K70 K71 K146	V66-D68 VanDerWaalsContact CG1-OD2 3.27Å; V66-D68 WeakPolarHBondContact CG1-OD2 3.43Å; D68-K70 PolarHBondContact O-N 3.3Å; D68-K71 PolarHBondContact N-O 2.86Å; D68-K146 VanDerWaalsContact O-CD 3.23Å; D68-K146 WeakPolarHBondContact O-CD 3.47Å; D68-K146 WeakPolarHBondContact O-CE 3.36Å; D68-K146 PolarHBondContact O-NZ 2.81Å
69	E	88.1	Confident	87.9	Confident	158 Å²	158	78.8 Å²	78.8	74%	0.738	39%	0.386	S	S	*	.	S	Bend	trans	-60.7	-28.3	172.2	-62.7	179.2	179.7	0	0	113
70	K	90.3	Very high	89.8	Confident	173 Å²	173	74.5 Å²	74.5	75%	0.752	37%	0.365	S	S	*	.	S	Bend	trans	-98.1	-29.5	-172.6	-62.9	179.9	-177.4	175.8	0	114.2	D68 K146	D68-K70 PolarHBondContact O-N 3.3Å; K70-K146 PolarHBondContact O-N 3.1Å
71	K	93.2	Very high	91.7	Very high	72 Å²	72	66.2 Å²	66.2	31%	0.313	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.8	-173.5	69	170	-176.7	164.1	0	112.2	D68 A144	D68-K71 PolarHBondContact N-O 2.86Å; K71-A144 WeakPolarHBondContact CA-O 3.27Å
72	F	95.5	Very high	93.1	Very high	4 Å²	4	67 Å²	67	2%	0.018	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.5	168.3	176.5	-100.9	0	0	0	108.1	V65 V66 N67 V74 L95 L121 P122 I125 F130 E143 A144	V65-F72 HydrophobicContact CG1-CE2 3.73Å; V65-F72 HydrophobicContact CG1-CZ 4.18Å; V66-F72 CarbonylContact O-C 3.55Å; V66-F72 WeakPolarHBondContact O-CA 3.37Å; N67-F72 HydrophobicContact CB-CD2 4.21Å; F72-V74 HydrophobicContact CE1-CG2 3.68Å; F72-V74 HydrophobicContact CZ-CG2 3.66Å; F72-L95 HydrophobicContact CE1-CD2 4.31Å; F72-L121 HydrophobicContact CD1-CD2 4.18Å; F72-L121 HydrophobicContact CE1-CD2 3.71Å; F72-L121 HydrophobicContact CZ-CD2 4.29Å; F72-P122 HydrophobicContact CD2-CG 3.64Å; F72-P122 HydrophobicContact CE2-CG 4.1Å; F72-P122 HydrophobicContact CG-CG 4.23Å; F72-I125 HydrophobicContact CB-CD1 3.44Å; F72-I125 VanDerWaalsContact CB-CD1 3.44Å; F72-I125 HydrophobicContact CD1-CD1 4.17Å; F72-I125 HydrophobicContact CG-CD1 3.84Å; F72-F130 AromaticContact CD1-CE1 4Å; F72-F130 HydrophobicContact CD1-CE1 4Å; F72-F130 HydrophobicContact CD1-CZ 4.22Å; F72-F130 HydrophobicContact CE1-CE1 4.4Å; F72-E143 CarbonylContact O-C 3.59Å; F72-E143 VanDerWaalsContact O-CA 3.27Å; F72-E143 WeakPolarHBondContact O-CA 3.43Å; F72-A144 PolarHBondContact N-O 3.01Å; F72-A144 PolarHBondContact O-N 2.84Å
73	Q	96.6	Very high	93.8	Very high	35 Å²	35	65.3 Å²	65.3	16%	0.164	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	135.5	-177.7	175.1	-176.3	-25.8	0	0	110.2	V65 V66 T141 I142 E143	V65-Q73 CarbonylContact C-O 3.59Å; V65-Q73 WeakPolarHBondContact CA-O 3.21Å; V66-Q73 HydrophobicContact CB-CB 4.29Å; V66-Q73 PolarHBondContact N-O 2.81Å; V66-Q73 PolarHBondContact O-N 2.86Å; Q73-T141 HydrophobicContact CG-CG2 3.85Å; Q73-I142 CarbonylContact C-O 3.54Å; Q73-I142 VanDerWaalsContact CA-O 3.3Å; Q73-I142 WeakPolarHBondContact CA-O 3.44Å; Q73-E143 HydrophobicContact CB-CB 3.93Å; Q73-E143 HydrophobicContact CG-CB 4.02Å
74	V	97.1	Very high	94.1	Very high	1 Å²	1	71.7 Å²	71.7	1%	0.006	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.6	172.5	179.6	0	0	0	0	107.9	S64 V65 F72 L76 L95 I97 Y119 T141 I142	S64-V74 WeakPolarHBondContact O-CA 3.15Å; V65-V74 HydrophobicContact CG1-CG2 4.36Å; V65-V74 HydrophobicContact CG2-CG1 4.49Å; V65-V74 HydrophobicContact CG2-CG2 4.28Å; F72-V74 HydrophobicContact CE1-CG2 3.68Å; F72-V74 HydrophobicContact CZ-CG2 3.66Å; V74-L76 HydrophobicContact CG1-CG 4.12Å; V74-L95 HydrophobicContact CB-CD2 4.45Å; V74-L95 HydrophobicContact CG2-CD2 4.04Å; V74-I97 HydrophobicContact CG1-CD1 4.45Å; V74-Y119 HydrophobicContact CG1-CD2 4.04Å; V74-Y119 HydrophobicContact CG1-CE1 4.36Å; V74-Y119 HydrophobicContact CG1-CE2 3.61Å; V74-Y119 HydrophobicContact CG2-CD1 4.49Å; V74-Y119 HydrophobicContact CG2-CD2 4.22Å; V74-Y119 HydrophobicContact CG2-CG 4.17Å; V74-T141 CarbonylContact O-C 3.52Å; V74-T141 WeakPolarHBondContact O-CA 3.4Å; V74-I142 PolarHBondContact N-O 3.4Å; V74-I142 PolarHBondContact O-N 2.79Å
75	S	96.4	Very high	94.2	Very high	14 Å²	14	70.7 Å²	70.7	10%	0.098	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132	171.2	-61.3	0	0	0	0	109.4	S63 S64 L140 T141	S63-S75 CarbonylContact C-O 3.55Å; S63-S75 VanDerWaalsContact CA-O 3.32Å; S63-S75 WeakPolarHBondContact CA-O 3.11Å; S64-S75 PolarHBondContact N-O 3.46Å; S64-S75 PolarHBondContact O-N 2.87Å; S64-S75 WeakPolarHBondContact OG-CB 3.47Å; S75-L140 CarbonylContact C-O 3.52Å; S75-L140 VanDerWaalsContact CA-O 3.29Å; S75-L140 WeakPolarHBondContact CA-O 3.38Å; S75-T141 PolarHBondContact OG-OG1 2.98Å; S75-T141 VanDerWaalsContact OG-OG1 3.14Å
76	L	96.2	Very high	94.3	Very high	8 Å²	8	68.8 Å²	68.8	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.5	-176.3	-72.9	-172.8	0	0	0	111.5	V74 V78 I97 R117 Y119 V139 L140	V74-L76 HydrophobicContact CG1-CG 4.12Å; L76-V78 HydrophobicContact CB-CG1 4.22Å; L76-V78 PolarHBondContact O-N 2.87Å; L76-I97 HydrophobicContact CD1-CB 4.33Å; L76-I97 HydrophobicContact CD1-CD1 3.41Å; L76-I97 VanDerWaalsContact CD1-CD1 3.41Å; L76-I97 HydrophobicContact CD1-CG1 4.47Å; L76-I97 HydrophobicContact CD1-CG2 4.2Å; L76-I97 HydrophobicContact CG-CD1 4.34Å; L76-R117 HydrophobicContact CD1-CB 4.28Å; L76-R117 HydrophobicContact CD1-CG 4.49Å; L76-Y119 HydrophobicContact CD1-CE2 4.36Å; L76-Y119 VanDerWaalsContact CD2-OH 3.26Å; L76-Y119 WeakPolarHBondContact CD2-OH 3.24Å; L76-V139 CarbonylContact O-C 3.6Å; L76-V139 WeakPolarHBondContact O-CA 3.26Å; L76-L140 PolarHBondContact N-O 3.43Å; L76-L140 PolarHBondContact O-N 3.04Å
77	D	95.2	Very high	94.4	Very high	47 Å²	47	71.6 Å²	71.6	25%	0.251	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	117.4	165.1	-175.7	-0.2	0	0	0	110.2	I62 K79	I62-D77 PolarHBondContact O-N 2.83Å; D77-K79 WeakPolarHBondContact OD1-CB 3.27Å; D77-K79 WeakPolarHBondContact OD1-CD 3.01Å; D77-K79 WeakPolarHBondContact OD1-CG 3.18Å; D77-K79 PolarHBondContact OD1-N 2.83Å; D77-K79 IonicContact OD2-NZ 3.62Å; D77-K79 PolarHBondContact OD2-NZ 2.7Å
78	V	95.6	Very high	94.5	Very high	4 Å²	4	70.1 Å²	70.1	2%	0.024	34%	0.338	C	S	.	.			trans	-130.4	27.3	178.7	-61.8	0	0	0	0	111.3	L76 H80 F81 L86 F115 L134 G138 L140	L76-V78 HydrophobicContact CB-CG1 4.22Å; L76-V78 PolarHBondContact O-N 2.87Å; V78-H80 PolarHBondContact O-N 2.78Å; V78-F81 HydrophobicContact CB-CD2 4.39Å; V78-F81 PolarHBondContact O-N 3.02Å; V78-L86 HydrophobicContact CB-CD1 4.27Å; V78-L86 HydrophobicContact CB-CD2 4.32Å; V78-L86 HydrophobicContact CG1-CD2 4.27Å; V78-L86 HydrophobicContact CG2-CD1 3.84Å; V78-F115 HydrophobicContact CG1-CE1 4.16Å; V78-F115 HydrophobicContact CG1-CZ 3.75Å; V78-L134 HydrophobicContact CG2-CD1 3.45Å; V78-L134 VanDerWaalsContact CG2-CD1 3.45Å; V78-G138 CarbonylContact C-O 3.52Å; V78-G138 WeakPolarHBondContact CA-O 3.38Å; V78-G138 WeakPolarHBondContact CG2-O 3.34Å; V78-G138 PolarHBondContact N-O 2.88Å; V78-L140 HydrophobicContact CG1-CB 4.28Å; V78-L140 HydrophobicContact CG2-CB 3.69Å
79	K	93	Very high	94.8	Very high	119 Å²	119	67.8 Å²	67.8	52%	0.517	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-19.1	-175.4	69.2	-168	170.3	-137.4	0	116.4	D77 G138	D77-K79 WeakPolarHBondContact OD1-CB 3.27Å; D77-K79 WeakPolarHBondContact OD1-CD 3.01Å; D77-K79 WeakPolarHBondContact OD1-CG 3.18Å; D77-K79 PolarHBondContact OD1-N 2.83Å; D77-K79 IonicContact OD2-NZ 3.62Å; D77-K79 PolarHBondContact OD2-NZ 2.7Å; K79-G138 PolarHBondContact N-O 2.77Å
80	H	92.2	Very high	95.1	Very high	93 Å²	93	63.1 Å²	63.1	43%	0.431	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4.2	179.2	-59.8	-56.9	0	0	0	113.9	V78	V78-H80 PolarHBondContact O-N 2.78Å
81	F	94.1	Very high	95.3	Very high	31 Å²	31	60.6 Å²	60.6	14%	0.136	30%	0.296	C	S	.	.	S	Bend	trans	-123	142	-176.8	-63	-90.9	0	0	0	110.8	V78 L86 H101 R113 F115	V78-F81 HydrophobicContact CB-CD2 4.39Å; V78-F81 PolarHBondContact O-N 3.02Å; F81-L86 HydrophobicContact CB-CD1 4.45Å; F81-L86 HydrophobicContact CB-CD2 3.8Å; F81-L86 HydrophobicContact CB-CG 4.08Å; F81-L86 HydrophobicContact CG-CD2 4.14Å; F81-H101 HydrophobicContact CD1-CB 3.95Å; F81-H101 HydrophobicContact CE1-CB 3.85Å; F81-R113 HydrophobicContact CE1-CB 3.94Å; F81-R113 HydrophobicContact CE2-CB 4.46Å; F81-R113 HydrophobicContact CZ-CB 3.57Å; F81-F115 HydrophobicContact CD1-CE1 4.37Å; F81-F115 HydrophobicContact CD2-CD1 4.18Å; F81-F115 AromaticContact CD2-CE1 3.82Å; F81-F115 HydrophobicContact CD2-CE1 3.82Å; F81-F115 AromaticContact CE1-CD1 3.99Å; F81-F115 HydrophobicContact CE1-CD1 3.99Å; F81-F115 HydrophobicContact CE1-CE1 4.23Å; F81-F115 AromaticContact CE2-CD1 3.55Å; F81-F115 HydrophobicContact CE2-CD1 3.55Å; F81-F115 AromaticContact CE2-CE1 3.68Å; F81-F115 HydrophobicContact CE2-CE1 3.68Å; F81-F115 HydrophobicContact CG-CE1 4.18Å; F81-F115 AromaticContact CZ-CD1 3.45Å; F81-F115 HydrophobicContact CZ-CD1 3.45Å; F81-F115 VanDerWaalsContact CZ-CD1 3.45Å; F81-F115 AromaticContact CZ-CE1 3.9Å; F81-F115 HydrophobicContact CZ-CE1 3.9Å
82	K	93	Very high	95.3	Very high	119 Å²	119	64.1 Å²	64.1	52%	0.517	32%	0.318	S	S	.	.			trans	-79.6	156.6	170	-64.5	175.4	-175	169.6	0	110.1	E84 E85	K82-E84 PolarHBondContact O-N 3.43Å; K82-E84 VanDerWaalsContact O-N 3.16Å; K82-E85 HydrophobicContact CB-CG 4.11Å; K82-E85 PolarHBondContact N-OE2 2.78Å; K82-E85 WeakPolarHBondContact O-CB 3.31Å; K82-E85 PolarHBondContact O-N 3.21Å
83	P	95	Very high	95.1	Very high	92 Å²	92	68.4 Å²	68.4	60%	0.597	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-54	-35.7	174.8	-20.5	26.9	0	0	0	113.6	E85 L86 L134	P83-E85 PolarHBondContact O-N 3.09Å; P83-L86 PolarHBondContact O-N 3.1Å; P83-L134 HydrophobicContact CB-CD2 4.3Å; P83-L134 HydrophobicContact CG-CD2 3.74Å
84	E	95.5	Very high	95.1	Very high	188 Å²	188	68.9 Å²	68.9	88%	0.879	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-71.8	-16.9	179.9	-61.9	172.3	-170.3	0	0	113.3	K82	K82-E84 PolarHBondContact O-N 3.43Å; K82-E84 VanDerWaalsContact O-N 3.16Å
85	E	95.5	Very high	95	Very high	36 Å²	36	68.9 Å²	68.9	17%	0.168	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-94.8	0.4	-179.8	-65.5	172.3	165.4	0	0	112.4	K82 P83 G99 K100 H101	K82-E85 HydrophobicContact CB-CG 4.11Å; K82-E85 PolarHBondContact N-OE2 2.78Å; K82-E85 WeakPolarHBondContact O-CB 3.31Å; K82-E85 PolarHBondContact O-N 3.21Å; P83-E85 PolarHBondContact O-N 3.09Å; E85-G99 VanDerWaalsContact O-CA 3.31Å; E85-G99 WeakPolarHBondContact O-CA 3.5Å; E85-K100 WeakPolarHBondContact CB-O 3.45Å; E85-K100 PolarHBondContact O-N 2.85Å; E85-H101 VanDerWaalsContact CD-ND1 3.29Å; E85-H101 IonicContact OE1-CE1 2.7Å; E85-H101 IonicContact OE1-CG 3.32Å; E85-H101 IonicContact OE1-ND1 3.37Å; E85-H101 PolarHBondContact OE1-ND1 2.74Å; E85-H101 IonicContact OE2-CG 3.89Å; E85-H101 IonicContact OE2-ND1 2.94Å; E85-H101 PolarHBondContact OE2-ND1 3.29Å
86	L	97.4	Very high	95	Very high	30 Å²	30	69.9 Å²	69.9	16%	0.157	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.5	-176.1	-64.3	171.1	0	0	0	110.9	V78 F81 P83 H98 F115	V78-L86 HydrophobicContact CB-CD1 4.27Å; V78-L86 HydrophobicContact CB-CD2 4.32Å; V78-L86 HydrophobicContact CG1-CD2 4.27Å; V78-L86 HydrophobicContact CG2-CD1 3.84Å; F81-L86 HydrophobicContact CB-CD1 4.45Å; F81-L86 HydrophobicContact CB-CD2 3.8Å; F81-L86 HydrophobicContact CB-CG 4.08Å; F81-L86 HydrophobicContact CG-CD2 4.14Å; P83-L86 PolarHBondContact O-N 3.1Å; L86-H98 WeakPolarHBondContact CA-O 3.35Å; L86-F115 HydrophobicContact CD2-CE1 3.79Å; L86-F115 HydrophobicContact CD2-CZ 3.83Å
87	E	97.2	Very high	95.1	Very high	109 Å²	109	69.5 Å²	69.5	51%	0.509	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.1	176.1	-172.8	-177.1	170.4	0	0	110.2	T89 I97 H98	E87-T89 HydrophobicContact CG-CG2 3.98Å; E87-T89 VanDerWaalsContact OE1-CG2 3.24Å; E87-T89 WeakPolarHBondContact OE1-CG2 3.25Å; E87-I97 WeakPolarHBondContact O-CA 3.44Å; E87-H98 HydrophobicContact CB-CB 4.42Å; E87-H98 PolarHBondContact N-O 2.8Å; E87-H98 PolarHBondContact O-N 2.85Å
88	V	97.2	Very high	95.2	Very high	57 Å²	57	69.5 Å²	69.5	35%	0.345	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118	175.3	-179.4	0	0	0	0	108.6	L95 I96 I97 L140 I142	V88-L95 HydrophobicContact CG1-CD1 3.54Å; V88-I96 WeakPolarHBondContact CA-O 3.49Å; V88-I97 HydrophobicContact CG2-CG1 4.46Å; V88-L140 HydrophobicContact CG2-CD2 4.41Å; V88-I142 HydrophobicContact CB-CD1 4.42Å; V88-I142 HydrophobicContact CG1-CD1 3.76Å; V88-I142 HydrophobicContact CG2-CD1 3.7Å
89	T	96.3	Very high	95.3	Very high	33 Å²	33	69.3 Å²	69.3	20%	0.202	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.6	178.2	55.7	0	0	0	0	111.5	E87 I96	E87-T89 HydrophobicContact CG-CG2 3.98Å; E87-T89 VanDerWaalsContact OE1-CG2 3.24Å; E87-T89 WeakPolarHBondContact OE1-CG2 3.25Å; T89-I96 PolarHBondContact N-O 2.84Å; T89-I96 PolarHBondContact O-N 2.7Å
90	I	95.7	Very high	95.4	Very high	61 Å²	61	67.5 Å²	67.5	31%	0.313	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.5	172	-61.3	170.1	0	0	0	107.7	Q94 L95 L121 P127 F130	I90-Q94 VanDerWaalsContact CA-O 3.25Å; I90-Q94 WeakPolarHBondContact CA-O 3.48Å; I90-L95 HydrophobicContact CG1-CD1 4.01Å; I90-L121 HydrophobicContact CG2-CD1 3.68Å; I90-P127 HydrophobicContact CD1-CB 3.83Å; I90-P127 HydrophobicContact CG2-CB 4.31Å; I90-F130 HydrophobicContact CD1-CD2 3.27Å; I90-F130 HydrophobicContact CD1-CE2 3.54Å; I90-F130 HydrophobicContact CD1-CG 3.99Å; I90-F130 HydrophobicContact CD1-CZ 4.45Å
91	K	94.4	Very high	95.5	Very high	120 Å²	120	64.1 Å²	64.1	52%	0.522	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.6	179.6	-64.3	-177.1	-177.8	172.3	0	109.1	N93 Q94 I96	K91-N93 PolarHBondContact O-N 2.75Å; K91-N93 VanDerWaalsContact O-N 3.1Å; K91-Q94 PolarHBondContact N-O 2.72Å; K91-Q94 WeakPolarHBondContact O-CA 3.03Å; K91-Q94 WeakPolarHBondContact O-CB 3.21Å; K91-Q94 PolarHBondContact O-N 2.82Å; K91-I96 HydrophobicContact CB-CD1 4.1Å
92	D	92.3	Very high	95.4	Very high	146 Å²	146	68.5 Å²	68.5	78%	0.781	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	41.5	174.3	-54.2	-41.1	0	0	0	114.6	Q94	D92-Q94 PolarHBondContact O-N 2.9Å
93	N	91.6	Very high	95.2	Very high	94 Å²	94	68.8 Å²	68.8	50%	0.503	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	29	-176.7	-155.3	63.9	0	0	0	113.8	K91 L121	K91-N93 PolarHBondContact O-N 2.75Å; K91-N93 VanDerWaalsContact O-N 3.1Å; N93-L121 PolarHBondContact ND2-O 2.85Å; N93-L121 WeakPolarHBondContact O-CB 3.31Å; N93-L121 PolarHBondContact O-N 2.81Å
94	Q	95.3	Very high	94.7	Very high	45 Å²	45	67.6 Å²	67.6	21%	0.21	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.2	174.2	-61.2	-178.4	-12.5	0	0	111.2	I90 K91 D92 I96 Y119 W120	I90-Q94 VanDerWaalsContact CA-O 3.25Å; I90-Q94 WeakPolarHBondContact CA-O 3.48Å; K91-Q94 PolarHBondContact N-O 2.72Å; K91-Q94 WeakPolarHBondContact O-CA 3.03Å; K91-Q94 WeakPolarHBondContact O-CB 3.21Å; K91-Q94 PolarHBondContact O-N 2.82Å; D92-Q94 PolarHBondContact O-N 2.9Å; Q94-I96 HydrophobicContact CB-CG1 4.18Å; Q94-Y119 CarbonylContact C-O 3.49Å; Q94-Y119 WeakPolarHBondContact CA-O 3.32Å; Q94-W120 HydrophobicContact CG-CD2 4.02Å; Q94-W120 HydrophobicContact CG-CE3 3.54Å; Q94-W120 HydrophobicContact CG-CH2 4.29Å; Q94-W120 HydrophobicContact CG-CZ3 3.69Å
95	L	96.3	Very high	94.1	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	113.8	164.1	174.5	67.4	0	0	0	108.5	F72 V74 V88 I90 I97 A118 Y119 L121 F130 I142	F72-L95 HydrophobicContact CE1-CD2 4.31Å; V74-L95 HydrophobicContact CB-CD2 4.45Å; V74-L95 HydrophobicContact CG2-CD2 4.04Å; V88-L95 HydrophobicContact CG1-CD1 3.54Å; I90-L95 HydrophobicContact CG1-CD1 4.01Å; L95-I97 HydrophobicContact CG-CG1 4.43Å; L95-A118 CarbonylContact O-C 3.58Å; L95-A118 VanDerWaalsContact O-CA 3.31Å; L95-A118 WeakPolarHBondContact O-CA 3.35Å; L95-Y119 PolarHBondContact N-O 2.8Å; L95-Y119 PolarHBondContact O-N 2.85Å; L95-L121 HydrophobicContact CB-CD2 3.76Å; L95-L121 HydrophobicContact CB-CG 4.39Å; L95-F130 HydrophobicContact CD2-CE1 4.41Å; L95-I142 HydrophobicContact CD1-CD1 4.43Å; L95-I142 HydrophobicContact CD1-CG2 4.2Å; L95-I142 HydrophobicContact CD2-CB 4.25Å; L95-I142 HydrophobicContact CD2-CD1 4.27Å; L95-I142 HydrophobicContact CD2-CG2 3.8Å
96	I	97.1	Very high	93.4	Very high	35 Å²	35	68.7 Å²	68.7	18%	0.179	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.3	-177.2	-54.8	169.5	0	0	0	108.3	V88 T89 K91 Q94 T116 R117 A118	V88-I96 WeakPolarHBondContact CA-O 3.49Å; T89-I96 PolarHBondContact N-O 2.84Å; T89-I96 PolarHBondContact O-N 2.7Å; K91-I96 HydrophobicContact CB-CD1 4.1Å; Q94-I96 HydrophobicContact CB-CG1 4.18Å; I96-T116 HydrophobicContact CG2-CG2 3.99Å; I96-R117 CarbonylContact C-O 3.56Å; I96-R117 WeakPolarHBondContact CA-O 3.24Å; I96-A118 HydrophobicContact CG1-CB 4.18Å
97	I	97.4	Very high	92.9	Very high	1 Å²	1	75.9 Å²	75.9	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.6	179.3	-55.3	164.7	0	0	0	106.3	V74 L76 E87 V88 L95 F115 T116 R117 Y119 L140 I142	V74-I97 HydrophobicContact CG1-CD1 4.45Å; L76-I97 HydrophobicContact CD1-CB 4.33Å; L76-I97 HydrophobicContact CD1-CD1 3.41Å; L76-I97 VanDerWaalsContact CD1-CD1 3.41Å; L76-I97 HydrophobicContact CD1-CG1 4.47Å; L76-I97 HydrophobicContact CD1-CG2 4.2Å; L76-I97 HydrophobicContact CG-CD1 4.34Å; E87-I97 WeakPolarHBondContact O-CA 3.44Å; V88-I97 HydrophobicContact CG2-CG1 4.46Å; L95-I97 HydrophobicContact CG-CG1 4.43Å; I97-F115 HydrophobicContact CB-CE2 4.43Å; I97-F115 HydrophobicContact CG2-CE2 3.81Å; I97-F115 HydrophobicContact CG2-CZ 3.98Å; I97-T116 CarbonylContact O-C 3.5Å; I97-T116 WeakPolarHBondContact O-CA 3.47Å; I97-R117 PolarHBondContact N-O 2.79Å; I97-R117 PolarHBondContact O-N 3.39Å; I97-Y119 HydrophobicContact CD1-CD2 4.41Å; I97-Y119 HydrophobicContact CD1-CE2 4.14Å; I97-L140 HydrophobicContact CG2-CD2 3.97Å; I97-I142 HydrophobicContact CD1-CD1 3.48Å; I97-I142 VanDerWaalsContact CD1-CD1 3.48Å; I97-I142 HydrophobicContact CG1-CD1 3.75Å
98	H	97.5	Very high	92.4	Very high	47 Å²	47	79 Å²	79	22%	0.218	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.8	175.4	178.9	-94.9	0	0	0	108.4	L86 E87 E114 F115 T116	L86-H98 WeakPolarHBondContact CA-O 3.35Å; E87-H98 HydrophobicContact CB-CB 4.42Å; E87-H98 PolarHBondContact N-O 2.8Å; E87-H98 PolarHBondContact O-N 2.85Å; H98-E114 IonicContact CE1-OE1 3.8Å; H98-E114 IonicContact NE2-OE1 2.98Å; H98-E114 PolarHBondContact NE2-OE1 3.24Å; H98-F115 WeakPolarHBondContact CA-O 3.42Å; H98-F115 PolarHBondContact CD2-O 2.92Å; H98-T116 PolarHBondContact CD2-OG1 2.78Å
99	G	96.5	Very high	92.1	Very high	0 Å²	0	77.9 Å²	77.9	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	131.5	172.7	0	0	0	0	0	109.7	E85 E114 F115	E85-G99 VanDerWaalsContact O-CA 3.31Å; E85-G99 WeakPolarHBondContact O-CA 3.5Å; G99-E114 CarbonylContact O-C 3.38Å; G99-E114 VanDerWaalsContact O-CA 3.24Å; G99-E114 WeakPolarHBondContact O-CA 3.43Å; G99-F115 VanDerWaalsContact CA-CE1 3.5Å; G99-F115 PolarHBondContact N-O 3.14Å; G99-F115 PolarHBondContact O-N 2.96Å
100	K	96.5	Very high	91.8	Very high	81 Å²	81	82.1 Å²	82.1	35%	0.352	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	107	-177.6	-176.5	-176.1	175.5	-158.2	0	110.8	E85 E102 E114	E85-K100 WeakPolarHBondContact CB-O 3.45Å; E85-K100 PolarHBondContact O-N 2.85Å; K100-E102 IonicContact NZ-OE1 3.43Å; K100-E114 HydrophobicContact CB-CG 4.4Å; K100-E114 HydrophobicContact CG-CG 4.41Å
101	H	94.1	Very high	91.6	Very high	21 Å²	21	80.5 Å²	80.5	10%	0.097	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.3	170	-172.3	77.2	0	0	0	108.7	F81 E85 N104 V111 K112 R113	F81-H101 HydrophobicContact CD1-CB 3.95Å; F81-H101 HydrophobicContact CE1-CB 3.85Å; E85-H101 VanDerWaalsContact CD-ND1 3.29Å; E85-H101 IonicContact OE1-CE1 2.7Å; E85-H101 IonicContact OE1-CG 3.32Å; E85-H101 IonicContact OE1-ND1 3.37Å; E85-H101 PolarHBondContact OE1-ND1 2.74Å; E85-H101 IonicContact OE2-CG 3.89Å; E85-H101 IonicContact OE2-ND1 2.94Å; E85-H101 PolarHBondContact OE2-ND1 3.29Å; H101-N104 PolarHBondContact CE1-ND2 3.5Å; H101-N104 PolarHBondContact NE2-ND2 2.8Å; H101-V111 PolarHBondContact CD2-O 2.92Å; H101-K112 VanDerWaalsContact O-CG 3.32Å; H101-K112 WeakPolarHBondContact O-CG 3.33Å; H101-R113 HydrophobicContact CB-CB 4.06Å; H101-R113 PolarHBondContact N-O 2.83Å; H101-R113 PolarHBondContact O-N 2.84Å; H101-R113 VanDerWaalsContact O-O 3.1Å
102	E	91.3	Very high	91.6	Very high	124 Å²	124	81.1 Å²	81.1	58%	0.579	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	169.1	175.6	-60.6	-161.6	151.1	0	0	111.7	K100 N104 V111	K100-E102 IonicContact NZ-OE1 3.43Å; E102-N104 PolarHBondContact O-N 2.8Å; E102-N104 PolarHBondContact O-ND2 2.9Å; E102-V111 VanDerWaalsContact O-O 3.05Å
103	E	89.4	Confident	91.6	Very high	124 Å²	124	78.7 Å²	78.7	58%	0.579	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	98.1	-177.9	-170.7	176.9	-179.1	0	0	110.6	F110 V111 K112	E103-F110 HydrophobicContact CG-CB 3.58Å; E103-F110 HydrophobicContact CG-CD1 3.88Å; E103-F110 HydrophobicContact CG-CG 4.04Å; E103-F110 VanDerWaalsContact OE1-CB 3.32Å; E103-F110 WeakPolarHBondContact OE1-CB 3.3Å; E103-F110 WeakPolarHBondContact OE1-CG 3.33Å; E103-V111 WeakPolarHBondContact CA-O 3.37Å; E103-K112 HydrophobicContact CB-CB 4.37Å
104	N	83.2	Confident	91.8	Very high	67 Å²	67	79.6 Å²	79.6	36%	0.358	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	144.1	177.2	-72.2	-51.6	0	0	0	110.3	H101 E102 D106 F110 V111	H101-N104 PolarHBondContact CE1-ND2 3.5Å; H101-N104 PolarHBondContact NE2-ND2 2.8Å; E102-N104 PolarHBondContact O-N 2.8Å; E102-N104 PolarHBondContact O-ND2 2.9Å; N104-D106 PolarHBondContact O-N 3.21Å; N104-F110 WeakPolarHBondContact O-CA 3.29Å; N104-V111 PolarHBondContact N-O 3.46Å; N104-V111 PolarHBondContact O-N 3.03Å
105	K	84.1	Confident	91.8	Very high	169 Å²	169	79 Å²	79	74%	0.735	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.2	173	-73.1	-176.8	177.1	-179	0	109.7	G109 F110	K105-G109 VanDerWaalsContact CA-O 3.31Å; K105-G109 WeakPolarHBondContact CA-O 3.32Å; K105-F110 HydrophobicContact CD-CE1 4.04Å; K105-F110 HydrophobicContact CD-CZ 4.31Å; K105-F110 VanDerWaalsContact CE-CZ 3.46Å; K105-F110 HydrophobicContact CG-CD1 3.62Å; K105-F110 HydrophobicContact CG-CE1 3.27Å; K105-F110 HydrophobicContact CG-CZ 3.91Å
106	D	80.9	Confident	91.8	Very high	79 Å²	79	83.2 Å²	83.2	42%	0.422	40%	0.399	S	S	.	.			trans	-105.7	-173.1	166	72.8	-7.6	0	0	0	109.9	N104 H108 G109 V111	N104-D106 PolarHBondContact O-N 3.21Å; D106-H108 PolarHBondContact O-N 2.84Å; D106-H108 PolarHBondContact OD1-N 2.83Å; D106-H108 VanDerWaalsContact OD1-N 3.09Å; D106-G109 PolarHBondContact N-O 3.34Å; D106-G109 VanDerWaalsContact OD1-CA 3.31Å; D106-G109 WeakPolarHBondContact OD1-CA 3.49Å; D106-G109 PolarHBondContact OD1-N 3.48Å; D106-V111 HydrophobicContact CB-CG2 4.09Å; D106-V111 WeakPolarHBondContact OD2-CG2 3.38Å
107	E	86.3	Confident	91.8	Very high	180 Å²	180	86.4 Å²	86.4	84%	0.841	41%	0.408	S	S	*	.	S	Bend	trans	-64.2	-20.9	-179.3	-62.6	-178.4	159.2	0	0	113.2
108	H	87.4	Confident	91.7	Very high	176 Å²	176	89 Å²	89	82%	0.815	43%	0.43	S	S	*	.	S	Bend	trans	-123.8	3.4	-170	-60.2	135.5	0	0	0	114.4	D106	D106-H108 PolarHBondContact O-N 2.84Å; D106-H108 PolarHBondContact OD1-N 2.83Å; D106-H108 VanDerWaalsContact OD1-N 3.09Å
109	G	90.7	Very high	91.6	Very high	33 Å²	33	88.3 Å²	88.3	34%	0.34	43%	0.426	S	S	.	.	S	Bend	trans	155.6	-135.7	-175.6	0	0	0	0	0	113.1	K105 D106	K105-G109 VanDerWaalsContact CA-O 3.31Å; K105-G109 WeakPolarHBondContact CA-O 3.32Å; D106-G109 PolarHBondContact N-O 3.34Å; D106-G109 VanDerWaalsContact OD1-CA 3.31Å; D106-G109 WeakPolarHBondContact OD1-CA 3.49Å; D106-G109 PolarHBondContact OD1-N 3.48Å
110	F	90.4	Very high	91.5	Very high	121 Å²	121	97 Å²	97	53%	0.531	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139	179.5	-65.8	-89.8	0	0	0	109.7	E103 N104 K105	E103-F110 HydrophobicContact CG-CB 3.58Å; E103-F110 HydrophobicContact CG-CD1 3.88Å; E103-F110 HydrophobicContact CG-CG 4.04Å; E103-F110 VanDerWaalsContact OE1-CB 3.32Å; E103-F110 WeakPolarHBondContact OE1-CB 3.3Å; E103-F110 WeakPolarHBondContact OE1-CG 3.33Å; N104-F110 WeakPolarHBondContact O-CA 3.29Å; K105-F110 HydrophobicContact CD-CE1 4.04Å; K105-F110 HydrophobicContact CD-CZ 4.31Å; K105-F110 VanDerWaalsContact CE-CZ 3.46Å; K105-F110 HydrophobicContact CG-CD1 3.62Å; K105-F110 HydrophobicContact CG-CE1 3.27Å; K105-F110 HydrophobicContact CG-CZ 3.91Å
111	V	91.3	Very high	91.4	Very high	28 Å²	28	93.9 Å²	93.9	17%	0.17	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132	-179.8	-177.2	0	0	0	0	110.4	H101 E102 E103 N104 D106 R113	H101-V111 PolarHBondContact CD2-O 2.92Å; E102-V111 VanDerWaalsContact O-O 3.05Å; E103-V111 WeakPolarHBondContact CA-O 3.37Å; N104-V111 PolarHBondContact N-O 3.46Å; N104-V111 PolarHBondContact O-N 3.03Å; D106-V111 HydrophobicContact CB-CG2 4.09Å; D106-V111 WeakPolarHBondContact OD2-CG2 3.38Å; V111-R113 HydrophobicContact CG1-CG 4.12Å
112	K	93.2	Very high	91.2	Very high	133 Å²	133	94.1 Å²	94.1	58%	0.578	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.2	174.6	-176.1	-178	177.4	178.5	0	108.4	H101 E103	H101-K112 VanDerWaalsContact O-CG 3.32Å; H101-K112 WeakPolarHBondContact O-CG 3.33Å; E103-K112 HydrophobicContact CB-CB 4.37Å
113	R	93.7	Very high	91.1	Very high	94 Å²	94	96.9 Å²	96.9	36%	0.355	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.5	178.8	-58.6	-178.1	177.3	92	1.6	109.8	F81 H101 V111	F81-R113 HydrophobicContact CE1-CB 3.94Å; F81-R113 HydrophobicContact CE2-CB 4.46Å; F81-R113 HydrophobicContact CZ-CB 3.57Å; H101-R113 HydrophobicContact CB-CB 4.06Å; H101-R113 PolarHBondContact N-O 2.83Å; H101-R113 PolarHBondContact O-N 2.84Å; H101-R113 VanDerWaalsContact O-O 3.1Å; V111-R113 HydrophobicContact CG1-CG 4.12Å
114	E	95.8	Very high	91	Very high	114 Å²	114	92.7 Å²	92.7	53%	0.533	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	135.5	175.3	-176.4	168.6	-171.9	0	0	109.3	H98 G99 K100	H98-E114 IonicContact CE1-OE1 3.8Å; H98-E114 IonicContact NE2-OE1 2.98Å; H98-E114 PolarHBondContact NE2-OE1 3.24Å; G99-E114 CarbonylContact O-C 3.38Å; G99-E114 VanDerWaalsContact O-CA 3.24Å; G99-E114 WeakPolarHBondContact O-CA 3.43Å; K100-E114 HydrophobicContact CB-CG 4.4Å; K100-E114 HydrophobicContact CG-CG 4.41Å
115	F	95.6	Very high	91.3	Very high	31 Å²	31	90.6 Å²	90.6	14%	0.136	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	157.4	174.9	79.9	-89.4	0	0	0	112.1	V78 F81 L86 I97 H98 G99 R117	V78-F115 HydrophobicContact CG1-CE1 4.16Å; V78-F115 HydrophobicContact CG1-CZ 3.75Å; F81-F115 HydrophobicContact CD1-CE1 4.37Å; F81-F115 HydrophobicContact CD2-CD1 4.18Å; F81-F115 AromaticContact CD2-CE1 3.82Å; F81-F115 HydrophobicContact CD2-CE1 3.82Å; F81-F115 AromaticContact CE1-CD1 3.99Å; F81-F115 HydrophobicContact CE1-CD1 3.99Å; F81-F115 HydrophobicContact CE1-CE1 4.23Å; F81-F115 AromaticContact CE2-CD1 3.55Å; F81-F115 HydrophobicContact CE2-CD1 3.55Å; F81-F115 AromaticContact CE2-CE1 3.68Å; F81-F115 HydrophobicContact CE2-CE1 3.68Å; F81-F115 HydrophobicContact CG-CE1 4.18Å; F81-F115 AromaticContact CZ-CD1 3.45Å; F81-F115 HydrophobicContact CZ-CD1 3.45Å; F81-F115 VanDerWaalsContact CZ-CD1 3.45Å; F81-F115 AromaticContact CZ-CE1 3.9Å; F81-F115 HydrophobicContact CZ-CE1 3.9Å; L86-F115 HydrophobicContact CD2-CE1 3.79Å; L86-F115 HydrophobicContact CD2-CZ 3.83Å; I97-F115 HydrophobicContact CB-CE2 4.43Å; I97-F115 HydrophobicContact CG2-CE2 3.81Å; I97-F115 HydrophobicContact CG2-CZ 3.98Å; H98-F115 WeakPolarHBondContact CA-O 3.42Å; H98-F115 PolarHBondContact CD2-O 2.92Å; G99-F115 VanDerWaalsContact CA-CE1 3.5Å; G99-F115 PolarHBondContact N-O 3.14Å; G99-F115 PolarHBondContact O-N 2.96Å; F115-R117 HydrophobicContact CD2-CG 4.11Å; F115-R117 HydrophobicContact CE2-CG 4.47Å
116	T	95.9	Very high	91.6	Very high	89 Å²	89	87.2 Å²	87.2	55%	0.546	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	125.1	168.6	-53	0	0	0	0	108.9	I96 I97 H98	I96-T116 HydrophobicContact CG2-CG2 3.99Å; I97-T116 CarbonylContact O-C 3.5Å; I97-T116 WeakPolarHBondContact O-CA 3.47Å; H98-T116 PolarHBondContact CD2-OG1 2.78Å
117	R	95.6	Very high	91.9	Very high	102 Å²	102	87.4 Å²	87.4	39%	0.385	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.8	174.2	-73.6	-67.5	-172.5	171.1	-2.2	109.1	E61 L76 I96 I97 F115 Y119	E61-R117 IonicContact OE2-CZ 3.3Å; E61-R117 IonicContact OE2-NE 3.9Å; E61-R117 PolarHBondContact OE2-NE 3.48Å; E61-R117 IonicContact OE2-NH2 3.82Å; E61-R117 PolarHBondContact OE2-NH2 3.22Å; L76-R117 HydrophobicContact CD1-CB 4.28Å; L76-R117 HydrophobicContact CD1-CG 4.49Å; I96-R117 CarbonylContact C-O 3.56Å; I96-R117 WeakPolarHBondContact CA-O 3.24Å; I97-R117 PolarHBondContact N-O 2.79Å; I97-R117 PolarHBondContact O-N 3.39Å; F115-R117 HydrophobicContact CD2-CG 4.11Å; F115-R117 HydrophobicContact CE2-CG 4.47Å; R117-Y119 HydrophobicContact CB-CE2 4.03Å
118	A	96.2	Very high	92.1	Very high	55 Å²	55	85.3 Å²	85.3	46%	0.455	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.3	178.6	0	0	0	0	0	110.4	L95 I96	L95-A118 CarbonylContact O-C 3.58Å; L95-A118 VanDerWaalsContact O-CA 3.31Å; L95-A118 WeakPolarHBondContact O-CA 3.35Å; I96-A118 HydrophobicContact CG1-CB 4.18Å
119	Y	95.9	Very high	92.3	Very high	34 Å²	34	79.3 Å²	79.3	13%	0.133	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.8	179.4	-62.4	-83.8	0	0	0	110.2	V65 V74 L76 Q94 L95 I97 R117 L121	V65-Y119 HydrophobicContact CG2-CD1 3.75Å; V65-Y119 HydrophobicContact CG2-CE1 3.48Å; V65-Y119 VanDerWaalsContact CG2-CE1 3.48Å; V74-Y119 HydrophobicContact CG1-CD2 4.04Å; V74-Y119 HydrophobicContact CG1-CE1 4.36Å; V74-Y119 HydrophobicContact CG1-CE2 3.61Å; V74-Y119 HydrophobicContact CG2-CD1 4.49Å; V74-Y119 HydrophobicContact CG2-CD2 4.22Å; V74-Y119 HydrophobicContact CG2-CG 4.17Å; L76-Y119 HydrophobicContact CD1-CE2 4.36Å; L76-Y119 VanDerWaalsContact CD2-OH 3.26Å; L76-Y119 WeakPolarHBondContact CD2-OH 3.24Å; Q94-Y119 CarbonylContact C-O 3.49Å; Q94-Y119 WeakPolarHBondContact CA-O 3.32Å; L95-Y119 PolarHBondContact N-O 2.8Å; L95-Y119 PolarHBondContact O-N 2.85Å; I97-Y119 HydrophobicContact CD1-CD2 4.41Å; I97-Y119 HydrophobicContact CD1-CE2 4.14Å; R117-Y119 HydrophobicContact CB-CE2 4.03Å; Y119-L121 PolarHBondContact O-N 2.79Å
120	W	94.6	Very high	92.5	Very high	183 Å²	183	79.4 Å²	79.4	69%	0.693	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.5	171.3	-69	106.1	0	0	0	110.8	Q94	Q94-W120 HydrophobicContact CG-CD2 4.02Å; Q94-W120 HydrophobicContact CG-CE3 3.54Å; Q94-W120 HydrophobicContact CG-CH2 4.29Å; Q94-W120 HydrophobicContact CG-CZ3 3.69Å
121	L	93.4	Very high	92.8	Very high	14 Å²	14	81 Å²	81	7%	0.073	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-84.5	129.6	177.7	-64.9	-177	0	0	0	110.8	F72 I90 N93 L95 Y119 F130	F72-L121 HydrophobicContact CD1-CD2 4.18Å; F72-L121 HydrophobicContact CE1-CD2 3.71Å; F72-L121 HydrophobicContact CZ-CD2 4.29Å; I90-L121 HydrophobicContact CG2-CD1 3.68Å; N93-L121 PolarHBondContact ND2-O 2.85Å; N93-L121 WeakPolarHBondContact O-CB 3.31Å; N93-L121 PolarHBondContact O-N 2.81Å; L95-L121 HydrophobicContact CB-CD2 3.76Å; L95-L121 HydrophobicContact CB-CG 4.39Å; Y119-L121 PolarHBondContact O-N 2.79Å; L121-F130 HydrophobicContact CD1-CE2 4.12Å; L121-F130 HydrophobicContact CD1-CZ 4.2Å; L121-F130 HydrophobicContact CD2-CE1 4.41Å; L121-F130 HydrophobicContact CD2-CE2 4.33Å; L121-F130 HydrophobicContact CD2-CZ 3.58Å
122	P	90.9	Very high	93	Very high	26 Å²	26	83.6 Å²	83.6	17%	0.169	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-57.4	156.5	166	-21.7	28.6	0	0	0	112.6	N67 F72 I125	N67-P122 WeakPolarHBondContact OD1-CG 3.49Å; F72-P122 HydrophobicContact CD2-CG 3.64Å; F72-P122 HydrophobicContact CE2-CG 4.1Å; F72-P122 HydrophobicContact CG-CG 4.23Å; P122-I125 HydrophobicContact CB-CD1 3.96Å; P122-I125 HydrophobicContact CG-CD1 3.89Å
123	E	87.7	Confident	93.2	Very high	182 Å²	182	82.3 Å²	82.3	85%	0.85	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	153.2	170.8	-63.4	-179.3	-173.4	0	0	111.9	I125	E123-I125 VanDerWaalsContact C-N 3.34Å; E123-I125 PolarHBondContact O-N 2.76Å
124	G	87.4	Confident	93.3	Very high	37 Å²	37	80.6 Å²	80.6	38%	0.381	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	8.8	176.2	0	0	0	0	0	115.2	F147	G124-F147 WeakPolarHBondContact O-CA 3.31Å; G124-F147 WeakPolarHBondContact O-CB 3.49Å; G124-F147 PolarHBondContact O-N 3.03Å
125	I	90.8	Very high	93.3	Very high	22 Å²	22	77.1 Å²	77.1	11%	0.113	40%	0.399	C	S	.	.			trans	-97.5	130.9	171.5	-58	166.9	0	0	0	108.8	F72 P122 E123 F130 A144 K146	F72-I125 HydrophobicContact CB-CD1 3.44Å; F72-I125 VanDerWaalsContact CB-CD1 3.44Å; F72-I125 HydrophobicContact CD1-CD1 4.17Å; F72-I125 HydrophobicContact CG-CD1 3.84Å; P122-I125 HydrophobicContact CB-CD1 3.96Å; P122-I125 HydrophobicContact CG-CD1 3.89Å; E123-I125 VanDerWaalsContact C-N 3.34Å; E123-I125 PolarHBondContact O-N 2.76Å; I125-F130 HydrophobicContact CG2-CD2 4.28Å; I125-F130 HydrophobicContact CG2-CE2 3.42Å; I125-F130 VanDerWaalsContact CG2-CE2 3.42Å; I125-F130 HydrophobicContact CG2-CZ 3.62Å; I125-A144 HydrophobicContact CG2-CB 3.65Å; I125-K146 HydrophobicContact CD1-CG 4.25Å; I125-K146 HydrophobicContact CG1-CG 3.81Å
126	K	88.9	Confident	93.3	Very high	98 Å²	98	81.3 Å²	81.3	43%	0.426	44%	0.439	S	S	.	.			trans	-94.2	135.5	171.4	-57	-169.3	-179.6	-178.4	0	110.3	E128 N129 F147	K126-E128 HydrophobicContact CB-CG 3.9Å; K126-E128 HydrophobicContact CD-CG 4.38Å; K126-E128 WeakPolarHBondContact CD-OE1 3.33Å; K126-E128 IonicContact NZ-OE1 3.74Å; K126-E128 PolarHBondContact NZ-OE1 3.06Å; K126-E128 PolarHBondContact O-N 2.94Å; K126-N129 PolarHBondContact O-N 2.79Å; K126-N129 VanDerWaalsContact O-N 3.09Å; K126-F147 HydrophobicContact CD-CE2 4.5Å; K126-F147 HydrophobicContact CG-CD2 4.05Å; K126-F147 HydrophobicContact CG-CE2 4.23Å
127	P	88.5	Confident	93.1	Very high	83 Å²	83	85.1 Å²	85.1	54%	0.539	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-60.6	-31.2	-178.3	24.1	-33.7	0	0	0	113	I90 N129 F130	I90-P127 HydrophobicContact CD1-CB 3.83Å; I90-P127 HydrophobicContact CG2-CB 4.31Å; P127-N129 PolarHBondContact O-N 3.28Å; P127-F130 PolarHBondContact O-N 2.93Å
128	E	90.1	Very high	93.1	Very high	137 Å²	137	80.8 Å²	80.8	64%	0.64	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-65.8	-16.9	178	66	-154.2	-168.4	0	0	114.8	K126	K126-E128 HydrophobicContact CB-CG 3.9Å; K126-E128 HydrophobicContact CD-CG 4.38Å; K126-E128 WeakPolarHBondContact CD-OE1 3.33Å; K126-E128 IonicContact NZ-OE1 3.74Å; K126-E128 PolarHBondContact NZ-OE1 3.06Å; K126-E128 PolarHBondContact O-N 2.94Å
129	N	92.1	Very high	93.1	Very high	49 Å²	49	80.2 Å²	80.2	26%	0.262	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-100.2	3.1	-174.8	-70	-46.6	0	0	0	113.9	K126 P127 P145 F147	K126-N129 PolarHBondContact O-N 2.79Å; K126-N129 VanDerWaalsContact O-N 3.09Å; P127-N129 PolarHBondContact O-N 3.28Å; N129-P145 HydrophobicContact CB-CG 4.27Å; N129-F147 HydrophobicContact CB-CE2 4.21Å; N129-F147 WeakPolarHBondContact ND2-CE2 3.02Å; N129-F147 WeakPolarHBondContact ND2-CZ 3.45Å
130	F	95.3	Very high	93.1	Very high	36 Å²	36	79.1 Å²	79.1	16%	0.158	43%	0.425	C	S	.	.			trans	-69.1	138.7	172	-81.8	-82.8	0	0	0	111.3	F72 I90 L95 L121 I125 P127 I142 E143 A144	F72-F130 AromaticContact CD1-CE1 4Å; F72-F130 HydrophobicContact CD1-CE1 4Å; F72-F130 HydrophobicContact CD1-CZ 4.22Å; F72-F130 HydrophobicContact CE1-CE1 4.4Å; I90-F130 HydrophobicContact CD1-CD2 3.27Å; I90-F130 HydrophobicContact CD1-CE2 3.54Å; I90-F130 HydrophobicContact CD1-CG 3.99Å; I90-F130 HydrophobicContact CD1-CZ 4.45Å; L95-F130 HydrophobicContact CD2-CE1 4.41Å; L121-F130 HydrophobicContact CD1-CE2 4.12Å; L121-F130 HydrophobicContact CD1-CZ 4.2Å; L121-F130 HydrophobicContact CD2-CE1 4.41Å; L121-F130 HydrophobicContact CD2-CE2 4.33Å; L121-F130 HydrophobicContact CD2-CZ 3.58Å; I125-F130 HydrophobicContact CG2-CD2 4.28Å; I125-F130 HydrophobicContact CG2-CE2 3.42Å; I125-F130 VanDerWaalsContact CG2-CE2 3.42Å; I125-F130 HydrophobicContact CG2-CZ 3.62Å; P127-F130 PolarHBondContact O-N 2.93Å; F130-I142 HydrophobicContact CD1-CG2 3.64Å; F130-I142 HydrophobicContact CE1-CG2 4.23Å; F130-E143 CarbonylContact C-O 3.58Å; F130-E143 WeakPolarHBondContact CA-O 3.32Å; F130-A144 HydrophobicContact CD1-CB 3.57Å; F130-A144 HydrophobicContact CD2-CB 4.01Å; F130-A144 HydrophobicContact CE1-CB 3.61Å; F130-A144 HydrophobicContact CE2-CB 4.05Å; F130-A144 HydrophobicContact CG-CB 3.8Å; F130-A144 HydrophobicContact CZ-CB 3.85Å
131	K	96.2	Very high	93.2	Very high	153 Å²	153	72 Å²	72	67%	0.665	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.9	170.8	-63.8	-179.1	-178.3	178.5	0	108.4	I142 E143	K131-I142 CarbonylContact O-C 3.51Å; K131-I142 WeakPolarHBondContact O-CA 3.42Å; K131-E143 PolarHBondContact N-O 3.39Å; K131-E143 PolarHBondContact O-N 3.16Å
132	S	96.2	Very high	93.4	Very high	84 Å²	84	71.4 Å²	71.4	59%	0.587	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.8	175.5	56.2	0	0	0	0	110.5	T141	S132-T141 CarbonylContact C-O 3.53Å; S132-T141 VanDerWaalsContact CA-O 3.32Å; S132-T141 WeakPolarHBondContact CA-O 3.44Å
133	N	96.6	Very high	93.7	Very high	106 Å²	106	73.9 Å²	73.9	57%	0.567	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	131.8	173.8	-178.1	-95.3	0	0	0	109.7	T141	N133-T141 PolarHBondContact N-O 2.98Å; N133-T141 PolarHBondContact O-N 2.93Å
134	L	96.4	Very high	94	Very high	58 Å²	58	65.4 Å²	65.4	30%	0.304	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.3	170.8	-176.9	68.3	0	0	0	108.8	V78 P83 L140	V78-L134 HydrophobicContact CG2-CD1 3.45Å; V78-L134 VanDerWaalsContact CG2-CD1 3.45Å; P83-L134 HydrophobicContact CB-CD2 4.3Å; P83-L134 HydrophobicContact CG-CD2 3.74Å; L134-L140 HydrophobicContact CD1-CB 4.05Å
135	S	95.4	Very high	94.4	Very high	41 Å²	41	66.6 Å²	66.6	29%	0.287	37%	0.37	S	S	.	.			trans	-78.2	161.1	176.3	63.3	0	0	0	0	112	E137 G138 V139	S135-E137 PolarHBondContact O-N 2.95Å; S135-G138 PolarHBondContact O-N 3Å; S135-V139 PolarHBondContact N-O 2.93Å; S135-V139 WeakPolarHBondContact OG-CA 3.42Å; S135-V139 WeakPolarHBondContact OG-CB 3.18Å; S135-V139 PolarHBondContact OG-N 3.04Å; S135-V139 PolarHBondContact OG-O 2.92Å
136	A	94.7	Very high	94.4	Very high	119 Å²	119	67.6 Å²	67.6	98%	0.983	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.5	176.9	0	0	0	0	0	113.6	G138	A136-G138 PolarHBondContact O-N 3.43Å
137	E	93.2	Very high	94	Very high	168 Å²	168	67.8 Å²	67.8	79%	0.785	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.4	175.6	-61.6	-178	172.5	0	0	112.6	S135	S135-E137 PolarHBondContact O-N 2.95Å
138	G	93.9	Very high	92.9	Very high	11 Å²	11	67.6 Å²	67.6	11%	0.113	38%	0.38	C	S	.	.	S	Bend	trans	85.1	18.4	-178.5	0	0	0	0	0	113.9	V78 K79 S135 A136	V78-G138 CarbonylContact C-O 3.52Å; V78-G138 WeakPolarHBondContact CA-O 3.38Å; V78-G138 WeakPolarHBondContact CG2-O 3.34Å; V78-G138 PolarHBondContact N-O 2.88Å; K79-G138 PolarHBondContact N-O 2.77Å; S135-G138 PolarHBondContact O-N 3Å; A136-G138 PolarHBondContact O-N 3.43Å
139	V	96	Very high	91.3	Very high	43 Å²	43	65.1 Å²	65.1	26%	0.261	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.5	175	-174.9	0	0	0	0	110.1	L76 S135	L76-V139 CarbonylContact O-C 3.6Å; L76-V139 WeakPolarHBondContact O-CA 3.26Å; S135-V139 PolarHBondContact N-O 2.93Å; S135-V139 WeakPolarHBondContact OG-CA 3.42Å; S135-V139 WeakPolarHBondContact OG-CB 3.18Å; S135-V139 PolarHBondContact OG-N 3.04Å; S135-V139 PolarHBondContact OG-O 2.92Å
140	L	97.3	Very high	89.5	Confident	12 Å²	12	69.2 Å²	69.2	6%	0.063	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	119.2	172.3	175.7	64	0	0	0	109.4	S75 L76 V78 V88 I97 L134 I142	S75-L140 CarbonylContact C-O 3.52Å; S75-L140 VanDerWaalsContact CA-O 3.29Å; S75-L140 WeakPolarHBondContact CA-O 3.38Å; L76-L140 PolarHBondContact N-O 3.43Å; L76-L140 PolarHBondContact O-N 3.04Å; V78-L140 HydrophobicContact CG1-CB 4.28Å; V78-L140 HydrophobicContact CG2-CB 3.69Å; V88-L140 HydrophobicContact CG2-CD2 4.41Å; I97-L140 HydrophobicContact CG2-CD2 3.97Å; L134-L140 HydrophobicContact CD1-CB 4.05Å; L140-I142 HydrophobicContact CD1-CG1 4.33Å; L140-I142 HydrophobicContact CD2-CD1 4.12Å; L140-I142 HydrophobicContact CD2-CG1 4.46Å; L140-I142 HydrophobicContact CG-CD1 4.31Å; L140-I142 HydrophobicContact CG-CG1 4.12Å
141	T	97.1	Very high	87.7	Confident	32 Å²	32	74.8 Å²	74.8	20%	0.196	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.1	174.9	-61.9	0	0	0	0	110.2	Q73 V74 S75 S132 N133	Q73-T141 HydrophobicContact CG-CG2 3.85Å; V74-T141 CarbonylContact O-C 3.52Å; V74-T141 WeakPolarHBondContact O-CA 3.4Å; S75-T141 PolarHBondContact OG-OG1 2.98Å; S75-T141 VanDerWaalsContact OG-OG1 3.14Å; S132-T141 CarbonylContact C-O 3.53Å; S132-T141 VanDerWaalsContact CA-O 3.32Å; S132-T141 WeakPolarHBondContact CA-O 3.44Å; N133-T141 PolarHBondContact N-O 2.98Å; N133-T141 PolarHBondContact O-N 2.93Å
142	I	97.5	Very high	85.7	Confident	2 Å²	2	73.2 Å²	73.2	1%	0.01	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.7	178.9	-56.5	174.7	0	0	0	107.6	Q73 V74 V88 L95 I97 F130 K131 L140	Q73-I142 CarbonylContact C-O 3.54Å; Q73-I142 VanDerWaalsContact CA-O 3.3Å; Q73-I142 WeakPolarHBondContact CA-O 3.44Å; V74-I142 PolarHBondContact N-O 3.4Å; V74-I142 PolarHBondContact O-N 2.79Å; V88-I142 HydrophobicContact CB-CD1 4.42Å; V88-I142 HydrophobicContact CG1-CD1 3.76Å; V88-I142 HydrophobicContact CG2-CD1 3.7Å; L95-I142 HydrophobicContact CD1-CD1 4.43Å; L95-I142 HydrophobicContact CD1-CG2 4.2Å; L95-I142 HydrophobicContact CD2-CB 4.25Å; L95-I142 HydrophobicContact CD2-CD1 4.27Å; L95-I142 HydrophobicContact CD2-CG2 3.8Å; I97-I142 HydrophobicContact CD1-CD1 3.48Å; I97-I142 VanDerWaalsContact CD1-CD1 3.48Å; I97-I142 HydrophobicContact CG1-CD1 3.75Å; F130-I142 HydrophobicContact CD1-CG2 3.64Å; F130-I142 HydrophobicContact CE1-CG2 4.23Å; K131-I142 CarbonylContact O-C 3.51Å; K131-I142 WeakPolarHBondContact O-CA 3.42Å; L140-I142 HydrophobicContact CD1-CG1 4.33Å; L140-I142 HydrophobicContact CD2-CD1 4.12Å; L140-I142 HydrophobicContact CD2-CG1 4.46Å; L140-I142 HydrophobicContact CG-CD1 4.31Å; L140-I142 HydrophobicContact CG-CG1 4.12Å
143	E	95.9	Very high	83.9	Confident	79 Å²	79	72.1 Å²	72.1	37%	0.369	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.9	-176.9	61.7	174	-169.6	0	0	113	F72 Q73 F130 K131	F72-E143 CarbonylContact O-C 3.59Å; F72-E143 VanDerWaalsContact O-CA 3.27Å; F72-E143 WeakPolarHBondContact O-CA 3.43Å; Q73-E143 HydrophobicContact CB-CB 3.93Å; Q73-E143 HydrophobicContact CG-CB 4.02Å; F130-E143 CarbonylContact C-O 3.58Å; F130-E143 WeakPolarHBondContact CA-O 3.32Å; K131-E143 PolarHBondContact N-O 3.39Å; K131-E143 PolarHBondContact O-N 3.16Å
144	A	95.4	Very high	82	Confident	4 Å²	4	76.5 Å²	76.5	3%	0.033	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	143.2	171.5	0	0	0	0	0	110.9	K71 F72 I125 F130	K71-A144 WeakPolarHBondContact CA-O 3.27Å; F72-A144 PolarHBondContact N-O 3.01Å; F72-A144 PolarHBondContact O-N 2.84Å; I125-A144 HydrophobicContact CG2-CB 3.65Å; F130-A144 HydrophobicContact CD1-CB 3.57Å; F130-A144 HydrophobicContact CD2-CB 4.01Å; F130-A144 HydrophobicContact CE1-CB 3.61Å; F130-A144 HydrophobicContact CE2-CB 4.05Å; F130-A144 HydrophobicContact CG-CB 3.8Å; F130-A144 HydrophobicContact CZ-CB 3.85Å
145	P	94.1	Very high	80.6	Confident	62 Å²	62	81.4 Å²	81.4	40%	0.403	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	145.4	168.2	31.1	-33.9	0	0	0	110.3	N129 F147	N129-P145 HydrophobicContact CB-CG 4.27Å; P145-F147 HydrophobicContact CG-CE2 4.25Å; P145-F147 HydrophobicContact CG-CZ 4.28Å
146	K	91.4	Very high	79.4	Confident	42 Å²	42	83.7 Å²	83.7	18%	0.183	49%	0.494	C	S	.	.			trans	-88	126.4	168.7	-66.7	-174.5	-178.3	179.4	0	109.2	N67 D68 K70 I125 A148	N67-K146 WeakPolarHBondContact OD1-CE 3.39Å; N67-K146 PolarHBondContact OD1-NZ 2.96Å; D68-K146 VanDerWaalsContact O-CD 3.23Å; D68-K146 WeakPolarHBondContact O-CD 3.47Å; D68-K146 WeakPolarHBondContact O-CE 3.36Å; D68-K146 PolarHBondContact O-NZ 2.81Å; K70-K146 PolarHBondContact O-N 3.1Å; I125-K146 HydrophobicContact CD1-CG 4.25Å; I125-K146 HydrophobicContact CG1-CG 3.81Å; K146-A148 PolarHBondContact O-N 3.37Å; K146-A148 VanDerWaalsContact O-N 3.15Å
147	F	80.6	Confident	78.7	Confident	102 Å²	102	84.1 Å²	84.1	45%	0.447	48%	0.479	S	S	.	.			trans	-85.4	76.1	163.6	-57.4	-88.4	0	0	0	106.4	G124 K126 N129 P145 A149	G124-F147 WeakPolarHBondContact O-CA 3.31Å; G124-F147 WeakPolarHBondContact O-CB 3.49Å; G124-F147 PolarHBondContact O-N 3.03Å; K126-F147 HydrophobicContact CD-CE2 4.5Å; K126-F147 HydrophobicContact CG-CD2 4.05Å; K126-F147 HydrophobicContact CG-CE2 4.23Å; N129-F147 HydrophobicContact CB-CE2 4.21Å; N129-F147 WeakPolarHBondContact ND2-CE2 3.02Å; N129-F147 WeakPolarHBondContact ND2-CZ 3.45Å; P145-F147 HydrophobicContact CG-CE2 4.25Å; P145-F147 HydrophobicContact CG-CZ 4.28Å; F147-A149 VanDerWaalsContact C-N 3.32Å; F147-A149 PolarHBondContact O-N 2.9Å
148	A	64.8	Low	77.9	Confident	79 Å²	79	80.5 Å²	80.5	65%	0.653	47%	0.469	S	S	*	.			trans	-63.3	105.5	163.9	0	0	0	0	0	106.6	K146 V150	K146-A148 PolarHBondContact O-N 3.37Å; K146-A148 VanDerWaalsContact O-N 3.15Å; A148-V150 PolarHBondContact O-N 3.25Å
149	A	56.7	Low	77.3	Confident	86 Å²	86	88 Å²	88	71%	0.711	51%	0.505	S	S	*	.			trans	-40.6	136.5	156	0	0	0	0	0	107.7	F147 Q151	F147-A149 VanDerWaalsContact C-N 3.32Å; F147-A149 PolarHBondContact O-N 2.9Å; A149-Q151 PolarHBondContact O-N 2.68Å
150	V	55.7	Low	76.7	Confident	134 Å²	134	94.1 Å²	94.1	81%	0.812	53%	0.531	S	S	*	.	S	Bend	trans	-13.9	109.5	166.3	178.2	0	0	0	0	109.6	A148 P152	A148-V150 PolarHBondContact O-N 3.25Å; V150-P152 VanDerWaalsContact O-N 3.08Å
151	Q	56.1	Low	75.6	Confident	153 Å²	153	102 Å²	102	72%	0.715	57%	0.57	S	S	*	*			trans	-26.6	120.9	168.4	-72.1	-114.7	20.5	0	0	107.4	A149 G153	A149-Q151 PolarHBondContact O-N 2.68Å; Q151-G153 WeakPolarHBondContact O-CA 3.32Å; Q151-G153 PolarHBondContact O-N 3.09Å
152	P	55.3	Low	74.5	Confident	121 Å²	121	105.5 Å²	105.5	79%	0.786	60%	0.602	S	S	*	*			trans	-54.7	104.9	-179.6	22.4	-31.3	0	0	0	104.7	V150 K154	V150-P152 VanDerWaalsContact O-N 3.08Å; P152-K154 PolarHBondContact O-N 2.89Å
153	G	57	Low	73.3	Confident	60 Å²	60	115.3 Å²	115.3	62%	0.619	64%	0.644	S	S	*	*			trans	-54.4	114.9	-167.4	0	0	0	0	0	103.9	Q151 H155	Q151-G153 WeakPolarHBondContact O-CA 3.32Å; Q151-G153 PolarHBondContact O-N 3.09Å; G153-H155 VanDerWaalsContact C-N 3.27Å; G153-H155 WeakPolarHBondContact O-CA 3.37Å; G153-H155 PolarHBondContact O-N 3.2Å
154	K	57.8	Low	72.3	Confident	199 Å²	199	124.6 Å²	124.6	87%	0.865	68%	0.683	S	S	*	*			trans	-46	96	-167.6	-175.5	-175.1	-176.9	-178.1	0	107.9	P152 S156	P152-K154 PolarHBondContact O-N 2.89Å; K154-S156 PolarHBondContact O-N 3.05Å
155	H	66	Low	71.1	Confident	160 Å²	160	130.7 Å²	130.7	74%	0.741	72%	0.716	S	S	*	*			trans	-85.5	81.2	-175.5	-170.9	68.6	0	0	0	104.9	G153 I157	G153-H155 VanDerWaalsContact C-N 3.27Å; G153-H155 WeakPolarHBondContact O-CA 3.37Å; G153-H155 PolarHBondContact O-N 3.2Å; H155-I157 VanDerWaalsContact C-N 3.32Å; H155-I157 PolarHBondContact O-N 2.94Å
156	S	70.2	Confident	69.9	Low	90 Å²	90	134.3 Å²	134.3	63%	0.629	73%	0.733	S	S	*	*			trans	-67.4	97.8	171.2	-177.2	0	0	0	0	106.4	K154 P158	K154-S156 PolarHBondContact O-N 3.05Å; S156-P158 WeakPolarHBondContact O-CD 3.31Å
157	I	80.2	Confident	68.7	Low	128 Å²	128	139.4 Å²	139.4	66%	0.656	76%	0.763	S	S	*	*			trans	-65	111.6	168.9	-57.9	171.6	0	0	0	106	H155 I159	H155-I157 VanDerWaalsContact C-N 3.32Å; H155-I157 PolarHBondContact O-N 2.94Å; I157-I159 PolarHBondContact O-N 2.95Å
158	P	77.8	Confident	68	Low	91 Å²	91	141.6 Å²	141.6	59%	0.591	78%	0.782	S	S	*	*			trans	-68.2	134.5	175.3	28.2	-30.9	0	0	0	109.2	S156 E160	S156-P158 WeakPolarHBondContact O-CD 3.31Å; P158-E160 PolarHBondContact O-N 3.23Å
159	I	81.4	Confident	68.2	Low	168 Å²	168	145.5 Å²	145.5	86%	0.862	79%	0.79	S	S	*	*			trans	-82.9	106.9	173.4	-58.4	173.1	0	0	0	107	I157	I157-I159 PolarHBondContact O-N 2.95Å
160	E	82.6	Confident	69	Low	173 Å²	173	149.5 Å²	149.5	81%	0.808	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-94.7	132.6	172.7	-68	-170.5	177.1	0	0	110.9	P158	P158-E160 PolarHBondContact O-N 3.23Å
161	M	73.2	Confident	69.9	Low	178 Å²	178	150.6 Å²	150.6	88%	0.877	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-79.2	125.6	173.7	-69.5	-102.9	-119.3	0	0	109.2	K163	M161-K163 PolarHBondContact O-N 3.39Å
162	A	75.4	Confident	71	Confident	105 Å²	105	150.4 Å²	150.4	87%	0.868	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-60.9	118.9	174.3	0	0	0	0	0	110
163	K	72.6	Confident	72.3	Confident	207 Å²	207	152.8 Å²	152.8	90%	0.9	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73.6	127.1	165.9	-73.5	-179.1	178.9	175.4	0	108.2	M161	M161-K163 PolarHBondContact O-N 3.39Å
164	K	73.8	Confident	73.7	Confident	275 Å²	275	161.3 Å²	161.3	100%	1.196	82%	0.818	S	S	*	*			trans	-84.1	0	165.3	-168.3	177.5	-178.9	-177.3	0	109.8

Retrieved 164 of 164 residues in 337.1 ms (Link to these results)

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