A0A077YZW3_TRITR Loading...

I-set domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZW3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 240 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	48.9	Very low	53.8	Low	235 Å²	235	117.6 Å²	117.6	100%	1.158	66%	0.66	S	S	*	*				0	16.9	0	-69.4	170.5	172.2	0	0	113.8
2	G	50.8	Low	53.9	Low	60 Å²	60	118.5 Å²	118.5	62%	0.619	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-11.5	-171.1	0	0	0	0	0	117.7
3	A	54.2	Low	54	Low	84 Å²	84	118.4 Å²	118.4	69%	0.694	65%	0.651	S	S	*	*	H	α-helix	trans	-81	-16.7	-175.9	0	0	0	0	0	114.5	T6	A3-T6 PolarHBondContact O-OG1 2.78Å
4	Q	51.7	Low	54	Low	161 Å²	161	113.1 Å²	113.1	75%	0.752	64%	0.637	S	S	*	*	H	α-helix	trans	-83.6	-20.1	178.5	-81.5	-167.7	-38.6	0	0	113.6
5	V	54.1	Low	54.1	Low	108 Å²	108	117.7 Å²	117.7	66%	0.655	64%	0.641	S	S	*	*	H	α-helix	trans	-78	-32.7	-179.8	-175.9	0	0	0	0	110.9
6	T	56.1	Low	54.1	Low	89 Å²	89	117.3 Å²	117.3	55%	0.546	64%	0.637	S	S	.	*	H	α-helix	trans	-71.1	-32.7	178.1	35.3	0	0	0	0	113.6	A3 I10	A3-T6 PolarHBondContact O-OG1 2.78Å; T6-I10 WeakPolarHBondContact O-CG1 3.32Å; T6-I10 PolarHBondContact O-N 3.39Å
7	L	53.8	Low	54.2	Low	120 Å²	120	115.2 Å²	115.2	63%	0.628	63%	0.628	S	S	*	*	H	α-helix	trans	-70.8	-32.9	179	-158.1	75.8	0	0	0	112.5	I10 V11	L7-I10 PolarHBondContact O-N 3.42Å; L7-V11 WeakPolarHBondContact O-CG2 3.3Å; L7-V11 PolarHBondContact O-N 3.45Å
8	R	54.1	Low	54.3	Low	193 Å²	193	111.3 Å²	111.3	73%	0.728	62%	0.615	S	S	*	*	H	α-helix	trans	-66	-39.6	177.2	-71.9	-173.9	178.3	-178.3	0	112.2	I10 V11 E12	R8-I10 PolarHBondContact O-N 3.3Å; R8-V11 PolarHBondContact O-N 3.04Å; R8-E12 PolarHBondContact O-N 2.75Å; R8-E12 VanDerWaalsContact O-N 3.08Å
9	A	56.3	Low	54.2	Low	48 Å²	48	109.9 Å²	109.9	40%	0.397	61%	0.612	S	S	.	*	H	α-helix	trans	-66.8	-36.8	178.7	0	0	0	0	0	113	E12 L13	A9-E12 PolarHBondContact O-N 3.02Å; A9-L13 PolarHBondContact O-N 2.88Å
10	I	55.5	Low	54.1	Low	116 Å²	116	109 Å²	109	60%	0.595	61%	0.605	S	S	*	*	H	α-helix	trans	-68	-36.5	178.4	-64	167.2	0	0	0	111	T6 L7 R8 G14	T6-I10 WeakPolarHBondContact O-CG1 3.32Å; T6-I10 PolarHBondContact O-N 3.39Å; L7-I10 PolarHBondContact O-N 3.42Å; R8-I10 PolarHBondContact O-N 3.3Å; I10-G14 PolarHBondContact O-N 3.06Å; I10-G14 VanDerWaalsContact O-N 3.16Å
11	V	56.2	Low	53.9	Low	80 Å²	80	109 Å²	109	49%	0.485	60%	0.604	S	S	.	*	H	α-helix	trans	-73.1	-36	177.1	178.7	0	0	0	0	111.9	L7 R8 G14 R15	L7-V11 WeakPolarHBondContact O-CG2 3.3Å; L7-V11 PolarHBondContact O-N 3.45Å; R8-V11 PolarHBondContact O-N 3.04Å; V11-G14 PolarHBondContact O-N 3.1Å; V11-R15 PolarHBondContact O-N 2.9Å
12	E	55.3	Low	53.9	Low	128 Å²	128	103.2 Å²	103.2	60%	0.598	58%	0.577	S	S	*	*	H	α-helix	trans	-69.7	-39.1	176.1	-80.1	177.9	166.4	0	0	112.8	R8 A9 G14 R15 L16	R8-E12 PolarHBondContact O-N 2.75Å; R8-E12 VanDerWaalsContact O-N 3.08Å; A9-E12 PolarHBondContact O-N 3.02Å; E12-G14 VanDerWaalsContact C-N 3.3Å; E12-G14 PolarHBondContact O-N 3.45Å; E12-R15 PolarHBondContact O-N 2.98Å; E12-L16 PolarHBondContact O-N 3.39Å
13	L	55.6	Low	53.7	Low	117 Å²	117	103.9 Å²	103.9	61%	0.613	57%	0.572	S	S	*	*	H	α-helix	trans	-61.3	-39.6	171.1	-80.2	159.5	0	0	0	111.4	A9 R15 L16 V17	A9-L13 PolarHBondContact O-N 2.88Å; L13-R15 PolarHBondContact O-N 2.75Å; L13-L16 PolarHBondContact O-N 3.15Å; L13-V17 WeakPolarHBondContact O-CG2 3.24Å; L13-V17 PolarHBondContact O-N 3.23Å; L13-V17 VanDerWaalsContact O-N 3.08Å
14	G	53.9	Low	53.2	Low	44 Å²	44	109.6 Å²	109.6	45%	0.454	58%	0.575	S	S	.	*	H	α-helix	trans	-62.6	-38.2	173.9	0	0	0	0	0	113.7	I10 V11 E12 A18	I10-G14 PolarHBondContact O-N 3.06Å; I10-G14 VanDerWaalsContact O-N 3.16Å; V11-G14 PolarHBondContact O-N 3.1Å; E12-G14 VanDerWaalsContact C-N 3.3Å; E12-G14 PolarHBondContact O-N 3.45Å; G14-A18 WeakPolarHBondContact O-CB 3.36Å; G14-A18 PolarHBondContact O-N 2.9Å
15	R	54.5	Low	53	Low	183 Å²	183	108.2 Å²	108.2	69%	0.691	57%	0.572	S	S	*	*	H	α-helix	trans	-70.1	-38.6	177	-75.4	-177.9	170.7	-166.3	-3.1	112.7	V11 E12 L13 A18 C19	V11-R15 PolarHBondContact O-N 2.9Å; E12-R15 PolarHBondContact O-N 2.98Å; L13-R15 PolarHBondContact O-N 2.75Å; R15-A18 PolarHBondContact O-N 3.3Å; R15-C19 PolarHBondContact O-N 2.89Å
16	L	54.4	Low	52.7	Low	110 Å²	110	110 Å²	110	58%	0.576	58%	0.577	S	S	*	*	H	α-helix	trans	-65.3	-41.1	175.4	-91.5	147.2	0	0	0	111.8	E12 L13 C19 I20	E12-L16 PolarHBondContact O-N 3.39Å; L13-L16 PolarHBondContact O-N 3.15Å; L16-C19 PolarHBondContact O-N 2.84Å; L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.46Å; L16-I20 PolarHBondContact O-N 2.85Å
17	V	56.2	Low	52.2	Low	82 Å²	82	110.2 Å²	110.2	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-66.4	-40.2	175.6	177.4	0	0	0	0	111.1	L13 I20 L21	L13-V17 WeakPolarHBondContact O-CG2 3.24Å; L13-V17 PolarHBondContact O-N 3.23Å; L13-V17 VanDerWaalsContact O-N 3.08Å; V17-I20 PolarHBondContact O-N 3.06Å; V17-L21 HydrophobicContact CG1-CD1 3.93Å; V17-L21 HydrophobicContact CG1-CG 4.36Å; V17-L21 WeakPolarHBondContact O-CB 3.33Å; V17-L21 VanDerWaalsContact O-CG 3.28Å; V17-L21 WeakPolarHBondContact O-CG 3.43Å; V17-L21 PolarHBondContact O-N 3.31Å
18	A	55.5	Low	51.8	Low	46 Å²	46	107.4 Å²	107.4	38%	0.38	59%	0.588	S	S	.	*	H	α-helix	trans	-65	-38.8	175.3	0	0	0	0	0	112.8	G14 R15 L21 L22	G14-A18 WeakPolarHBondContact O-CB 3.36Å; G14-A18 PolarHBondContact O-N 2.9Å; R15-A18 PolarHBondContact O-N 3.3Å; A18-L21 PolarHBondContact O-N 3.39Å; A18-L22 WeakPolarHBondContact O-CB 3.44Å; A18-L22 VanDerWaalsContact O-CG 3.25Å; A18-L22 WeakPolarHBondContact O-CG 3.33Å; A18-L22 PolarHBondContact O-N 3.25Å
19	C	53.1	Low	51.5	Low	84 Å²	84	103.8 Å²	103.8	57%	0.568	59%	0.593	S	S	*	*	H	α-helix	trans	-68.4	-35.1	174.7	-87.8	0	0	0	0	112.6	R15 L16 S23	R15-C19 PolarHBondContact O-N 2.89Å; L16-C19 PolarHBondContact O-N 2.84Å; C19-S23 VanDerWaalsContact O-CB 3.23Å; C19-S23 WeakPolarHBondContact O-CB 3.48Å; C19-S23 PolarHBondContact O-N 3.14Å; C19-S23 PolarHBondContact O-OG 3.26Å
20	I	51.6	Low	51.2	Low	91 Å²	91	106.1 Å²	106.1	47%	0.467	61%	0.606	S	S	.	*	H	α-helix	trans	-71	-37.2	175.8	-64.6	165.3	0	0	0	110.7	L16 V17 S23 R24	L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.46Å; L16-I20 PolarHBondContact O-N 2.85Å; V17-I20 PolarHBondContact O-N 3.06Å; I20-S23 WeakPolarHBondContact CA-OG 3.2Å; I20-S23 PolarHBondContact O-OG 2.88Å; I20-R24 WeakPolarHBondContact O-CG 3.28Å; I20-R24 PolarHBondContact O-N 3.29Å; I20-R24 VanDerWaalsContact O-N 3.15Å
21	L	50.7	Low	51	Low	110 Å²	110	108.9 Å²	108.9	58%	0.576	62%	0.618	S	S	*	*	H	α-helix	trans	-70.7	-36.2	175.6	-67.3	174.5	0	0	0	112.3	V17 A18 I25	V17-L21 HydrophobicContact CG1-CD1 3.93Å; V17-L21 HydrophobicContact CG1-CG 4.36Å; V17-L21 WeakPolarHBondContact O-CB 3.33Å; V17-L21 VanDerWaalsContact O-CG 3.28Å; V17-L21 WeakPolarHBondContact O-CG 3.43Å; V17-L21 PolarHBondContact O-N 3.31Å; A18-L21 PolarHBondContact O-N 3.39Å; L21-I25 WeakPolarHBondContact O-CD1 3.37Å; L21-I25 WeakPolarHBondContact O-CG1 3.29Å
22	L	48.4	Very low	50.7	Low	114 Å²	114	110.8 Å²	110.8	60%	0.597	63%	0.63	S	S	*	*	H	α-helix	trans	-78.2	-31.7	177.1	-69.5	169.1	0	0	0	113.1	A18 R24 I25	A18-L22 WeakPolarHBondContact O-CB 3.44Å; A18-L22 VanDerWaalsContact O-CG 3.25Å; A18-L22 WeakPolarHBondContact O-CG 3.33Å; A18-L22 PolarHBondContact O-N 3.25Å; L22-R24 VanDerWaalsContact C-N 3.33Å; L22-I25 PolarHBondContact O-N 2.8Å
23	S	46.9	Very low	50.5	Low	74 Å²	74	110.1 Å²	110.1	52%	0.517	63%	0.634	S	S	.	*	H	α-helix	trans	-73.8	-23.5	174.2	55.2	0	0	0	0	113.1	C19 I20 I25	C19-S23 VanDerWaalsContact O-CB 3.23Å; C19-S23 WeakPolarHBondContact O-CB 3.48Å; C19-S23 PolarHBondContact O-N 3.14Å; C19-S23 PolarHBondContact O-OG 3.26Å; I20-S23 WeakPolarHBondContact CA-OG 3.2Å; I20-S23 PolarHBondContact O-OG 2.88Å; S23-I25 VanDerWaalsContact C-N 3.31Å
24	R	43.9	Very low	50.3	Low	203 Å²	203	108.8 Å²	108.8	77%	0.766	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-9.9	169.7	-74.2	-168.7	176	-159.7	-0.2	114.3	I20 L22	I20-R24 WeakPolarHBondContact O-CG 3.28Å; I20-R24 PolarHBondContact O-N 3.29Å; I20-R24 VanDerWaalsContact O-N 3.15Å; L22-R24 VanDerWaalsContact C-N 3.33Å
25	I	46.9	Very low	50.2	Low	132 Å²	132	112.1 Å²	112.1	68%	0.677	65%	0.652	S	S	*	*	S	Bend	trans	-93.1	-7.7	174.4	-62.6	167.4	0	0	0	111.9	L21 L22 S23	L21-I25 WeakPolarHBondContact O-CD1 3.37Å; L21-I25 WeakPolarHBondContact O-CG1 3.29Å; L22-I25 PolarHBondContact O-N 2.8Å; S23-I25 VanDerWaalsContact C-N 3.31Å
26	L	47.6	Very low	50.1	Low	145 Å²	145	108.1 Å²	108.1	76%	0.759	66%	0.658	S	S	*	*	S	Bend	trans	-87.8	1.4	173.1	-78.6	161.9	0	0	0	114.5
27	A	46.2	Very low	50.3	Low	95 Å²	95	107.7 Å²	107.7	79%	0.785	66%	0.664	S	S	*	*	S	Bend	trans	-106.6	57.2	174	0	0	0	0	0	110.7
28	G	45.3	Very low	50.4	Low	61 Å²	61	109.2 Å²	109.2	63%	0.629	68%	0.678	S	S	*	*			trans	-154.5	24.2	-177.5	0	0	0	0	0	113.5	S30	G28-S30 PolarHBondContact O-N 3.29Å
29	S	47.3	Very low	50.8	Low	117 Å²	117	109.4 Å²	109.4	82%	0.818	69%	0.685	S	S	*	*			trans	-70.8	61.6	167.2	-47.4	0	0	0	0	109.7	M31	S29-M31 PolarHBondContact O-N 2.89Å; S29-M31 VanDerWaalsContact O-N 3.11Å
30	S	51.3	Low	51.6	Low	97 Å²	97	111.7 Å²	111.7	68%	0.678	70%	0.699	S	S	*	*			trans	-76.1	91.2	155.1	-170.8	0	0	0	0	105.1	G28 V32	G28-S30 PolarHBondContact O-N 3.29Å; S30-V32 PolarHBondContact O-N 3.02Å
31	M	50.8	Low	52.5	Low	174 Å²	174	109.6 Å²	109.6	86%	0.857	69%	0.692	S	S	*	*			trans	-54.4	96	151.5	-87.5	-173.4	-170.9	0	0	105.1	S29 V33	S29-M31 PolarHBondContact O-N 2.89Å; S29-M31 VanDerWaalsContact O-N 3.11Å; M31-V33 PolarHBondContact O-N 2.86Å
32	V	50	Low	53.6	Low	120 Å²	120	112.7 Å²	112.7	73%	0.727	70%	0.703	S	S	*	*			trans	-65	95.5	157.6	-177.5	0	0	0	0	102.8	S30 A34	S30-V32 PolarHBondContact O-N 3.02Å; V32-A34 PolarHBondContact O-N 2.96Å
33	V	51	Low	54.6	Low	114 Å²	114	109.6 Å²	109.6	69%	0.691	69%	0.689	S	S	*	*			trans	-56.5	100.2	160.8	177.8	0	0	0	0	103.2	M31 T35	M31-V33 PolarHBondContact O-N 2.86Å; V33-T35 PolarHBondContact O-N 3.49Å
34	A	50.1	Low	56	Low	89 Å²	89	109.3 Å²	109.3	74%	0.736	68%	0.681	S	S	*	*			trans	-62	91.8	166.6	0	0	0	0	0	104.3	V32 A36	V32-A34 PolarHBondContact O-N 2.96Å; A34-A36 VanDerWaalsContact C-N 3.26Å; A34-A36 PolarHBondContact O-N 3.27Å
35	T	53.1	Low	57.8	Low	113 Å²	113	106.9 Å²	106.9	69%	0.693	68%	0.679	S	S	*	*			trans	-57.3	106.4	161.8	49.7	0	0	0	0	103.3	V33 S37	V33-T35 PolarHBondContact O-N 3.49Å; T35-S37 PolarHBondContact O-N 2.85Å
36	A	52.5	Low	59.7	Low	100 Å²	100	103.7 Å²	103.7	83%	0.826	67%	0.672	S	S	*	*			trans	-57.2	90.9	160.1	0	0	0	0	0	104.4	A34 S38	A34-A36 VanDerWaalsContact C-N 3.26Å; A34-A36 PolarHBondContact O-N 3.27Å; A36-S38 VanDerWaalsContact C-N 3.3Å; A36-S38 PolarHBondContact O-N 3.33Å
37	S	58.1	Low	61.8	Low	100 Å²	100	96.8 Å²	96.8	70%	0.699	64%	0.636	S	S	*	*			trans	-60.2	106	168	53.4	0	0	0	0	103.3	T35 G39	T35-S37 PolarHBondContact O-N 2.85Å; S37-G39 VanDerWaalsContact C-N 3.28Å; S37-G39 PolarHBondContact O-N 2.85Å
38	S	59.1	Low	64.1	Low	114 Å²	114	99 Å²	99	80%	0.797	63%	0.625	S	S	*	*			trans	-50.3	107.2	159.9	51.7	0	0	0	0	104.9	A36	A36-S38 VanDerWaalsContact C-N 3.3Å; A36-S38 PolarHBondContact O-N 3.33Å
39	G	63.2	Low	66.6	Low	51 Å²	51	96.8 Å²	96.8	53%	0.526	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-52.9	154.7	173	0	0	0	0	0	108.7	S37 C41	S37-G39 VanDerWaalsContact C-N 3.28Å; S37-G39 PolarHBondContact O-N 2.85Å; G39-C41 PolarHBondContact O-N 3.31Å; G39-C41 VanDerWaalsContact O-N 3.14Å
40	P	69	Low	68.9	Low	132 Å²	132	95 Å²	95	86%	0.857	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-49.3	128.8	173.3	20.3	-30.2	0	0	0	108.7	H42	P40-H42 PolarHBondContact O-N 3.2Å
41	C	71.9	Confident	71.1	Confident	47 Å²	47	93.1 Å²	93.1	32%	0.318	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-53.7	140.9	177.2	61.7	0	0	0	0	108.9	G39 V43 C74	G39-C41 PolarHBondContact O-N 3.31Å; G39-C41 VanDerWaalsContact O-N 3.14Å; C41-V43 PolarHBondContact O-N 2.85Å; C41-C74 HydrophobicContact CB-CB 4.01Å; C41-C74 WeakPolarHBondContact CB-SG 3.42Å; C41-C74 WeakPolarHBondContact SG-CA 3.35Å; C41-C74 WeakPolarHBondContact SG-CB 3.29Å; C41-C74 CovalentContact SG-SG 2.03Å; C41-C74 PolarHBondContact SG-SG 3.33Å
42	H	73.5	Confident	73.3	Confident	174 Å²	174	88.1 Å²	88.1	81%	0.806	54%	0.538	S	S	*	.			trans	-66.4	110.2	175.9	-170.2	-76.5	0	0	0	108.2	P40 D44	P40-H42 PolarHBondContact O-N 3.2Å; H42-D44 PolarHBondContact O-N 3.42Å
43	V	68.4	Low	75.6	Confident	49 Å²	49	82.8 Å²	82.8	30%	0.297	51%	0.506	S	S	.	.			trans	-66.3	119	178.3	179.6	0	0	0	0	107.8	C41 T123 L125	C41-V43 PolarHBondContact O-N 2.85Å; V43-T123 HydrophobicContact CB-CG2 4.26Å; V43-T123 HydrophobicContact CG1-CG2 3.63Å; V43-T123 HydrophobicContact CG2-CG2 3.67Å; V43-L125 HydrophobicContact CG1-CD1 4.47Å
44	D	77.7	Confident	77.8	Confident	68 Å²	68	85.2 Å²	85.2	36%	0.364	51%	0.507	S	S	.	.			trans	-100.8	103.3	170	-179.3	15.8	0	0	0	108.6	H42 A46 F47	H42-D44 PolarHBondContact O-N 3.42Å; D44-A46 PolarHBondContact O-N 3.34Å; D44-A46 WeakPolarHBondContact OD1-CA 3.32Å; D44-A46 VanDerWaalsContact OD1-CB 3.25Å; D44-A46 WeakPolarHBondContact OD1-CB 3.45Å; D44-A46 PolarHBondContact OD1-N 3.18Å; D44-F47 WeakPolarHBondContact O-CB 3.38Å; D44-F47 WeakPolarHBondContact O-CD1 3.43Å; D44-F47 PolarHBondContact O-N 3.03Å; D44-F47 PolarHBondContact OD2-N 3.24Å
45	E	81.3	Confident	80	Confident	153 Å²	153	83.1 Å²	83.1	72%	0.715	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.7	173.1	-60.6	-172.2	163.1	0	0	111.8	F47 L125 K127	E45-F47 VanDerWaalsContact C-N 3.29Å; E45-F47 PolarHBondContact O-N 2.95Å; E45-L125 HydrophobicContact CB-CD1 4.33Å; E45-L125 HydrophobicContact CG-CD1 3.93Å; E45-K127 PolarHBondContact O-NZ 2.71Å
46	A	85.4	Confident	82	Confident	65 Å²	65	80.1 Å²	80.1	54%	0.537	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	14.4	175.6	0	0	0	0	0	113.5	D44	D44-A46 PolarHBondContact O-N 3.34Å; D44-A46 WeakPolarHBondContact OD1-CA 3.32Å; D44-A46 VanDerWaalsContact OD1-CB 3.25Å; D44-A46 WeakPolarHBondContact OD1-CB 3.45Å; D44-A46 PolarHBondContact OD1-N 3.18Å
47	F	92.6	Very high	84.1	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	46%	0.46	C	S	.	.			trans	-53.9	148.3	174.9	82.4	-82.7	0	0	0	111.2	D44 E45 V70 A118 I120 L125 K127	D44-F47 WeakPolarHBondContact O-CB 3.38Å; D44-F47 WeakPolarHBondContact O-CD1 3.43Å; D44-F47 PolarHBondContact O-N 3.03Å; D44-F47 PolarHBondContact OD2-N 3.24Å; E45-F47 VanDerWaalsContact C-N 3.29Å; E45-F47 PolarHBondContact O-N 2.95Å; F47-V70 HydrophobicContact CD2-CB 4.06Å; F47-V70 HydrophobicContact CD2-CG1 4.04Å; F47-V70 HydrophobicContact CD2-CG2 4.48Å; F47-V70 HydrophobicContact CE2-CG1 4.12Å; F47-A118 HydrophobicContact CE2-CB 4.34Å; F47-I120 HydrophobicContact CD1-CD1 3.6Å; F47-I120 HydrophobicContact CD1-CG1 4.48Å; F47-I120 HydrophobicContact CE1-CD1 3.68Å; F47-I120 HydrophobicContact CE1-CG1 4.2Å; F47-I120 HydrophobicContact CG-CD1 4.14Å; F47-I120 HydrophobicContact CZ-CD1 4.27Å; F47-I120 HydrophobicContact CZ-CG1 4.32Å; F47-L125 HydrophobicContact CE1-CB 4.1Å; F47-K127 HydrophobicContact CD1-CD 4.3Å; F47-K127 HydrophobicContact CD2-CD 4.34Å; F47-K127 HydrophobicContact CE1-CD 4.02Å; F47-K127 HydrophobicContact CE1-CG 3.94Å; F47-K127 HydrophobicContact CE2-CB 3.89Å; F47-K127 HydrophobicContact CE2-CD 4.06Å; F47-K127 HydrophobicContact CE2-CG 3.97Å; F47-K127 HydrophobicContact CG-CD 4.49Å; F47-K127 HydrophobicContact CZ-CB 3.82Å; F47-K127 HydrophobicContact CZ-CD 3.9Å; F47-K127 HydrophobicContact CZ-CG 3.54Å; F47-K127 WeakPolarHBondContact O-CD 3.17Å; F47-K127 WeakPolarHBondContact O-CE 3.18Å; F47-K127 PolarHBondContact O-NZ 3.14Å
48	Y	94.4	Very high	85.9	Confident	140 Å²	140	75.9 Å²	75.9	55%	0.549	43%	0.433	S	S	.	.			trans	-144.2	165	-177.2	63	-88.4	0	0	0	110.2	N50 V70 S71	Y48-N50 HydrophobicContact CE2-CB 4.04Å; Y48-N50 PolarHBondContact O-N 3.38Å; Y48-V70 CarbonylContact O-C 3.52Å; Y48-V70 VanDerWaalsContact O-CA 3.25Å; Y48-V70 WeakPolarHBondContact O-CA 3.33Å; Y48-V70 WeakPolarHBondContact O-CB 3.48Å; Y48-S71 PolarHBondContact N-OG 3.36Å; Y48-S71 VanDerWaalsContact N-OG 3.12Å; Y48-S71 PolarHBondContact O-N 3.01Å; Y48-S71 PolarHBondContact O-OG 2.89Å
49	F	96.9	Very high	87.6	Confident	16 Å²	16	77 Å²	77	7%	0.07	42%	0.42	C	S	.	.			trans	-74.8	107.2	172.5	-73.7	-91.3	0	0	0	109.9	Q52 C68 N69 V70 C116 A118 K127 Q128 S129	F49-Q52 HydrophobicContact CB-CG 4.37Å; F49-C68 HydrophobicContact CD1-CB 4.4Å; F49-C68 HydrophobicContact CE1-CB 4.35Å; F49-N69 CarbonylContact C-O 3.49Å; F49-N69 VanDerWaalsContact CA-O 3.25Å; F49-N69 WeakPolarHBondContact CA-O 3.35Å; F49-N69 WeakPolarHBondContact CD1-O 3.31Å; F49-V70 HydrophobicContact CD1-CG1 3.84Å; F49-V70 HydrophobicContact CD2-CG1 4.44Å; F49-V70 HydrophobicContact CE1-CG1 3.86Å; F49-V70 HydrophobicContact CE2-CG1 4.45Å; F49-V70 HydrophobicContact CG-CG1 4.14Å; F49-V70 HydrophobicContact CZ-CG1 4.18Å; F49-C116 HydrophobicContact CE1-CB 4.41Å; F49-C116 WeakPolarHBondContact CZ-O 3.48Å; F49-A118 HydrophobicContact CE1-CB 4.01Å; F49-A118 HydrophobicContact CZ-CB 3.69Å; F49-K127 HydrophobicContact CE2-CB 3.87Å; F49-K127 WeakPolarHBondContact CE2-O 3.38Å; F49-K127 WeakPolarHBondContact CZ-O 3.37Å; F49-Q128 WeakPolarHBondContact CE2-O 3.38Å; F49-S129 VanDerWaalsContact CE2-N 3.33Å
50	N	96.6	Very high	89.2	Confident	80 Å²	80	77.4 Å²	77.4	43%	0.428	41%	0.408	S	S	.	.	S	Bend	trans	-79.3	-25.7	172.4	61.2	-20.9	0	0	0	111.7	Y48 N69 V70	Y48-N50 HydrophobicContact CE2-CB 4.04Å; Y48-N50 PolarHBondContact O-N 3.38Å; N50-N69 PolarHBondContact N-O 3.4Å; N50-N69 WeakPolarHBondContact OD1-CB 3.42Å; N50-N69 PolarHBondContact OD1-O 3Å; N50-V70 VanDerWaalsContact OD1-CA 3.32Å; N50-V70 WeakPolarHBondContact OD1-CA 3.48Å; N50-V70 PolarHBondContact OD1-N 2.81Å; N50-V70 PolarHBondContact OD1-O 2.84Å
51	V	97.6	Very high	90.5	Very high	56 Å²	56	73.2 Å²	73.2	34%	0.339	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-119.1	114.5	168.9	-177.7	0	0	0	0	108.3	E67 C68 N69	V51-E67 HydrophobicContact CG1-CB 4Å; V51-C68 WeakPolarHBondContact O-CA 3.36Å; V51-N69 HydrophobicContact CB-CB 3.82Å; V51-N69 HydrophobicContact CG2-CB 3.93Å; V51-N69 PolarHBondContact N-O 3.27Å; V51-N69 PolarHBondContact O-N 3.04Å
52	Q	97.7	Very high	91.6	Very high	70 Å²	70	73.1 Å²	73.1	33%	0.327	39%	0.389	S	S	.	.			trans	-94.2	143.1	174.8	-63.4	-76.2	14.2	0	0	109.6	F49 K54 E67	F49-Q52 HydrophobicContact CB-CG 4.37Å; Q52-K54 PolarHBondContact O-N 2.74Å; Q52-E67 CarbonylContact C-O 3.57Å
53	P	97.6	Very high	92.8	Very high	7 Å²	7	72.4 Å²	72.4	5%	0.045	38%	0.379	C	S	.	.			trans	-66.1	136.6	173.4	32.3	-36.9	0	0	0	110	E67 W80 S129 Q130 A132	P53-E67 WeakPolarHBondContact CA-O 3.45Å; P53-E67 WeakPolarHBondContact CB-O 3.18Å; P53-E67 VanDerWaalsContact N-O 3.17Å; P53-W80 HydrophobicContact CB-CH2 3.71Å; P53-W80 HydrophobicContact CB-CZ3 3.97Å; P53-W80 HydrophobicContact CG-CH2 4.33Å; P53-W80 HydrophobicContact CG-CZ3 4.33Å; P53-S129 WeakPolarHBondContact CG-OG 3.4Å; P53-Q130 WeakPolarHBondContact CG-O 3.44Å; P53-A132 HydrophobicContact CB-CB 3.71Å; P53-A132 HydrophobicContact CG-CB 4.05Å
54	K	96.7	Very high	94.1	Very high	165 Å²	165	70.3 Å²	70.3	72%	0.717	37%	0.367	S	S	*	.			trans	-105.1	141.2	178.1	-63.8	-179.7	-176.5	174.8	0	108.9	Q52 I56 L66	Q52-K54 PolarHBondContact O-N 2.74Å; K54-I56 PolarHBondContact O-N 3.47Å; K54-L66 WeakPolarHBondContact O-CD2 3.31Å
55	G	96	Very high	95	Very high	46 Å²	46	70.9 Å²	70.9	47%	0.474	37%	0.366	S	S	.	.			trans	-61	136.7	169.5	0	0	0	0	0	110.2	S133	G55-S133 CarbonylContact C-O 3.46Å; G55-S133 WeakPolarHBondContact CA-O 3.35Å
56	I	95.6	Very high	95.8	Very high	49 Å²	49	63.8 Å²	63.8	25%	0.251	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.6	-179	58.6	170.5	0	0	0	110.2	K54 V58 A64 F65 L66 S133 L134 A135	K54-I56 PolarHBondContact O-N 3.47Å; I56-V58 HydrophobicContact CD1-CG1 4.11Å; I56-V58 HydrophobicContact CG1-CG1 4.47Å; I56-A64 HydrophobicContact CD1-CB 3.91Å; I56-F65 WeakPolarHBondContact CD1-O 3.45Å; I56-L66 HydrophobicContact CD1-CD2 3.96Å; I56-L66 HydrophobicContact CG1-CD2 3.95Å; I56-S133 PolarHBondContact N-O 2.83Å; I56-S133 VanDerWaalsContact N-O 3.15Å; I56-L134 HydrophobicContact CD1-CD1 3.83Å; I56-L134 HydrophobicContact CG1-CD1 3.5Å; I56-A135 PolarHBondContact O-N 2.85Å
57	T	96.1	Very high	96.4	Very high	88 Å²	88	65.6 Å²	65.6	54%	0.54	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.1	177.3	-55	0	0	0	0	109.5	A135 L137	T57-A135 CarbonylContact C-O 3.58Å; T57-A135 VanDerWaalsContact CA-O 3.26Å; T57-A135 WeakPolarHBondContact CA-O 3.39Å; T57-A135 HydrophobicContact CG2-CB 4.08Å; T57-L137 HydrophobicContact CG2-CD1 3.98Å; T57-L137 HydrophobicContact CG2-CD2 3.42Å; T57-L137 VanDerWaalsContact CG2-CD2 3.42Å; T57-L137 HydrophobicContact CG2-CG 3.64Å
58	V	96.1	Very high	96.6	Very high	24 Å²	24	65.6 Å²	65.6	15%	0.145	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	148.9	-173.4	-64.4	0	0	0	0	111.2	I56 A64 V105 L134 A135 I136 L137	I56-V58 HydrophobicContact CD1-CG1 4.11Å; I56-V58 HydrophobicContact CG1-CG1 4.47Å; V58-A64 HydrophobicContact CG1-CB 4.34Å; V58-A64 HydrophobicContact CG2-CB 4.23Å; V58-V105 HydrophobicContact CG2-CB 4.35Å; V58-V105 HydrophobicContact CG2-CG1 4.11Å; V58-V105 HydrophobicContact CG2-CG2 4.01Å; V58-L134 HydrophobicContact CG2-CD1 3.66Å; V58-L134 HydrophobicContact CG2-CG 4.41Å; V58-A135 PolarHBondContact N-O 2.92Å; V58-I136 CarbonylContact O-C 3.58Å; V58-I136 VanDerWaalsContact O-CA 3.31Å; V58-I136 WeakPolarHBondContact O-CA 3.38Å; V58-L137 PolarHBondContact O-N 3.44Å
59	R	96.1	Very high	96.7	Very high	137 Å²	137	62 Å²	62	52%	0.517	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	140.9	175.7	-177.2	-179.2	170.5	157.4	-3.3	111.5	G61 S62 L137 A214	R59-G61 PolarHBondContact O-N 2.82Å; R59-S62 WeakPolarHBondContact O-CB 3.45Å; R59-S62 PolarHBondContact O-N 2.85Å; R59-S62 PolarHBondContact O-OG 2.82Å; R59-L137 WeakPolarHBondContact CA-O 3.33Å; R59-L137 HydrophobicContact CB-CB 4.49Å; R59-A214 VanDerWaalsContact CD-O 3.3Å; R59-A214 WeakPolarHBondContact CD-O 3.41Å; R59-A214 PolarHBondContact NE-O 3.08Å; R59-A214 PolarHBondContact NH1-O 2.88Å
60	E	95.9	Very high	96.6	Very high	60 Å²	60	61.4 Å²	61.4	28%	0.28	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	138.7	172.7	-175.1	159.8	-141.7	0	0	111.6	S62 R107 I136 L137 W138	E60-S62 PolarHBondContact O-N 2.96Å; E60-R107 WeakPolarHBondContact OE1-CG 3.4Å; E60-R107 PolarHBondContact OE1-N 3.23Å; E60-R107 IonicContact OE1-NE 2.71Å; E60-R107 WeakPolarHBondContact OE2-CD 3.27Å; E60-R107 IonicContact OE2-NE 3.4Å; E60-R107 PolarHBondContact OE2-NE 3.49Å; E60-I136 HydrophobicContact CB-CG2 3.85Å; E60-I136 HydrophobicContact CG-CG2 4.46Å; E60-L137 PolarHBondContact N-O 3.19Å; E60-W138 HydrophobicContact CB-CB 4.37Å
61	G	95.6	Very high	96.5	Very high	43 Å²	43	59.6 Å²	59.6	44%	0.443	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-12.3	-173.7	0	0	0	0	0	114.9	R59 V105	R59-G61 PolarHBondContact O-N 2.82Å; G61-V105 WeakPolarHBondContact CA-O 3.28Å; G61-V105 PolarHBondContact N-O 2.85Å
62	S	96.2	Very high	96	Very high	46 Å²	46	57.8 Å²	57.8	32%	0.322	30%	0.302	S	S	.	.	S	Bend	trans	-75.8	167.6	177.1	-52.6	0	0	0	0	112	R59 E60 V105	R59-S62 WeakPolarHBondContact O-CB 3.45Å; R59-S62 PolarHBondContact O-N 2.85Å; R59-S62 PolarHBondContact O-OG 2.82Å; E60-S62 PolarHBondContact O-N 2.96Å; S62-V105 WeakPolarHBondContact O-CG2 3.28Å; S62-V105 PolarHBondContact O-N 2.91Å
63	R	97.4	Very high	95.2	Very high	159 Å²	159	58.4 Å²	58.4	60%	0.6	33%	0.327	S	S	*	.			trans	-82.9	135.1	172.7	-172.5	176.3	-176.1	-168.7	0.4	110.4	I102	R63-I102 CarbonylContact C-O 3.55Å; R63-I102 VanDerWaalsContact CA-O 3.27Å; R63-I102 WeakPolarHBondContact CA-O 3.04Å; R63-I102 WeakPolarHBondContact CG-O 3.23Å
64	A	97	Very high	94.7	Very high	5 Å²	5	58.7 Å²	58.7	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	154	173.4	0	0	0	0	0	111.4	I56 V58 I102 V105 L134	I56-A64 HydrophobicContact CD1-CB 3.91Å; V58-A64 HydrophobicContact CG1-CB 4.34Å; V58-A64 HydrophobicContact CG2-CB 4.23Å; A64-I102 HydrophobicContact CB-CB 4.33Å; A64-I102 PolarHBondContact N-O 3.22Å; A64-I102 PolarHBondContact O-N 3.36Å; A64-V105 HydrophobicContact CB-CG2 3.47Å; A64-V105 VanDerWaalsContact CB-CG2 3.47Å; A64-L134 HydrophobicContact CB-CD1 4.14Å
65	F	96.3	Very high	94.4	Very high	80 Å²	80	55.6 Å²	55.6	35%	0.351	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	126.4	-176.4	-175.2	-115.3	0	0	0	109.7	I56 E67 N99 L100 V101	I56-F65 WeakPolarHBondContact CD1-O 3.45Å; F65-E67 HydrophobicContact CD1-CG 3.61Å; F65-E67 VanDerWaalsContact CE1-CD 3.47Å; F65-E67 HydrophobicContact CE1-CG 3.12Å; F65-E67 HydrophobicContact CZ-CG 3.9Å; F65-N99 HydrophobicContact CD2-CB 4.21Å; F65-N99 HydrophobicContact CE1-CB 4.31Å; F65-N99 HydrophobicContact CE2-CB 3.27Å; F65-N99 HydrophobicContact CZ-CB 3.35Å; F65-N99 VanDerWaalsContact CZ-ND2 3.35Å; F65-N99 WeakPolarHBondContact CZ-ND2 3.27Å; F65-L100 WeakPolarHBondContact CA-O 3.4Å; F65-V101 HydrophobicContact CD2-CG2 3.87Å; F65-V101 HydrophobicContact CE2-CG2 4.01Å
66	L	97.8	Very high	94.4	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130	175	-62	175.5	0	0	0	109.1	K54 I56 W80 N99 L100 F114 A132	K54-L66 WeakPolarHBondContact O-CD2 3.31Å; I56-L66 HydrophobicContact CD1-CD2 3.96Å; I56-L66 HydrophobicContact CG1-CD2 3.95Å; L66-W80 HydrophobicContact CB-CH2 3.41Å; L66-W80 VanDerWaalsContact CB-CH2 3.41Å; L66-W80 HydrophobicContact CB-CZ2 4.07Å; L66-W80 HydrophobicContact CB-CZ3 3.84Å; L66-W80 HydrophobicContact CD1-CH2 4.43Å; L66-W80 HydrophobicContact CD1-CZ3 3.99Å; L66-W80 WeakPolarHBondContact O-CZ2 3.33Å; L66-N99 CarbonylContact O-C 3.59Å; L66-N99 WeakPolarHBondContact O-CA 3.49Å; L66-N99 WeakPolarHBondContact O-CB 3.48Å; L66-L100 HydrophobicContact CB-CB 4.36Å; L66-L100 HydrophobicContact CD1-CD2 4.39Å; L66-L100 PolarHBondContact N-O 3.4Å; L66-L100 PolarHBondContact O-N 3.06Å; L66-F114 HydrophobicContact CD1-CB 3.56Å; L66-F114 HydrophobicContact CD1-CD1 4.41Å; L66-F114 HydrophobicContact CD1-CD2 3.88Å; L66-F114 HydrophobicContact CD1-CG 3.7Å; L66-A132 HydrophobicContact CD2-CB 4.49Å
67	E	97.6	Very high	94.3	Very high	103 Å²	103	57.1 Å²	57.1	48%	0.481	32%	0.315	S	S	.	.			trans	-102	135.8	-176.7	-65.7	-178.4	107.3	0	0	111.1	V51 Q52 P53 F65 N99	V51-E67 HydrophobicContact CG1-CB 4Å; Q52-E67 CarbonylContact C-O 3.57Å; P53-E67 WeakPolarHBondContact CA-O 3.45Å; P53-E67 WeakPolarHBondContact CB-O 3.18Å; P53-E67 VanDerWaalsContact N-O 3.17Å; F65-E67 HydrophobicContact CD1-CG 3.61Å; F65-E67 VanDerWaalsContact CE1-CD 3.47Å; F65-E67 HydrophobicContact CE1-CG 3.12Å; F65-E67 HydrophobicContact CZ-CG 3.9Å; E67-N99 VanDerWaalsContact CA-OD1 3.25Å; E67-N99 WeakPolarHBondContact CA-OD1 3.49Å
68	C	96.9	Very high	94.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.297	C	S	.	.			trans	-141.1	149.6	163.5	64.8	0	0	0	0	109.1	F49 V51 W80 S98 N99 C116	F49-C68 HydrophobicContact CD1-CB 4.4Å; F49-C68 HydrophobicContact CE1-CB 4.35Å; V51-C68 WeakPolarHBondContact O-CA 3.36Å; C68-W80 HydrophobicContact CB-CH2 4.22Å; C68-W80 HydrophobicContact CB-CZ2 3.94Å; C68-W80 WeakPolarHBondContact SG-CZ2 3.17Å; C68-S98 WeakPolarHBondContact O-CB 3.3Å; C68-S98 PolarHBondContact O-OG 3.03Å; C68-S98 PolarHBondContact SG-O 2.77Å; C68-N99 PolarHBondContact N-OD1 2.93Å; C68-C116 HydrophobicContact CB-CB 3.48Å; C68-C116 VanDerWaalsContact CB-CB 3.48Å; C68-C116 WeakPolarHBondContact CB-SG 3.32Å; C68-C116 WeakPolarHBondContact SG-CB 3.24Å; C68-C116 CovalentContact SG-SG 2.05Å; C68-C116 PolarHBondContact SG-SG 3.4Å
69	N	96.5	Very high	94.4	Very high	63 Å²	63	56 Å²	56	34%	0.337	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-156.4	160.1	171.7	-164.6	21.6	0	0	0	109.9	F49 N50 V51	F49-N69 CarbonylContact C-O 3.49Å; F49-N69 VanDerWaalsContact CA-O 3.25Å; F49-N69 WeakPolarHBondContact CA-O 3.35Å; F49-N69 WeakPolarHBondContact CD1-O 3.31Å; N50-N69 PolarHBondContact N-O 3.4Å; N50-N69 WeakPolarHBondContact OD1-CB 3.42Å; N50-N69 PolarHBondContact OD1-O 3Å; V51-N69 HydrophobicContact CB-CB 3.82Å; V51-N69 HydrophobicContact CG2-CB 3.93Å; V51-N69 PolarHBondContact N-O 3.27Å; V51-N69 PolarHBondContact O-N 3.04Å
70	V	95.9	Very high	94.4	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.03	28%	0.277	C	S	.	.			trans	-117.2	159.4	176	-63.7	0	0	0	0	112.5	F47 Y48 F49 N50 S72 V76 F78 A118	F47-V70 HydrophobicContact CD2-CB 4.06Å; F47-V70 HydrophobicContact CD2-CG1 4.04Å; F47-V70 HydrophobicContact CD2-CG2 4.48Å; F47-V70 HydrophobicContact CE2-CG1 4.12Å; Y48-V70 CarbonylContact O-C 3.52Å; Y48-V70 VanDerWaalsContact O-CA 3.25Å; Y48-V70 WeakPolarHBondContact O-CA 3.33Å; Y48-V70 WeakPolarHBondContact O-CB 3.48Å; F49-V70 HydrophobicContact CD1-CG1 3.84Å; F49-V70 HydrophobicContact CD2-CG1 4.44Å; F49-V70 HydrophobicContact CE1-CG1 3.86Å; F49-V70 HydrophobicContact CE2-CG1 4.45Å; F49-V70 HydrophobicContact CG-CG1 4.14Å; F49-V70 HydrophobicContact CZ-CG1 4.18Å; N50-V70 VanDerWaalsContact OD1-CA 3.32Å; N50-V70 WeakPolarHBondContact OD1-CA 3.48Å; N50-V70 PolarHBondContact OD1-N 2.81Å; N50-V70 PolarHBondContact OD1-O 2.84Å; V70-S72 VanDerWaalsContact C-N 3.25Å; V70-S72 PolarHBondContact O-N 2.82Å; V70-V76 HydrophobicContact CG2-CB 4.28Å; V70-V76 HydrophobicContact CG2-CG1 3.97Å; V70-V76 HydrophobicContact CG2-CG2 3.8Å; V70-F78 HydrophobicContact CG1-CE1 4.3Å; V70-F78 HydrophobicContact CG2-CE1 4.42Å; V70-F78 HydrophobicContact CG2-CZ 4.04Å; V70-A118 HydrophobicContact CG1-CB 3.47Å; V70-A118 VanDerWaalsContact CG1-CB 3.47Å
71	S	93.7	Very high	94.5	Very high	42 Å²	42	46.8 Å²	46.8	29%	0.294	27%	0.265	S	S	.	.	S	Bend	trans	-68.5	-21.8	177.4	60.9	0	0	0	0	113.8	Y48	Y48-S71 PolarHBondContact N-OG 3.36Å; Y48-S71 VanDerWaalsContact N-OG 3.12Å; Y48-S71 PolarHBondContact O-N 3.01Å; Y48-S71 PolarHBondContact O-OG 2.89Å
72	S	87	Confident	94.5	Very high	18 Å²	18	45.5 Å²	45.5	13%	0.126	25%	0.248	C	C	.	.			trans	-72	129.5	-176.7	-172.5	0	0	0	0	111.8	V70 C74	V70-S72 VanDerWaalsContact C-N 3.25Å; V70-S72 PolarHBondContact O-N 2.82Å; S72-C74 PolarHBondContact O-N 3.46Å; S72-C74 VanDerWaalsContact OG-CB 3.32Å; S72-C74 WeakPolarHBondContact OG-CB 3.04Å; S72-C74 PolarHBondContact OG-N 3.31Å
73	G	81.7	Confident	94.1	Very high	82 Å²	82	47 Å²	47	85%	0.845	26%	0.258	S	S	*	.			trans	-82.4	5.4	169.4	0	0	0	0	0	114.1
74	C	87.1	Confident	93.7	Very high	14 Å²	14	46.1 Å²	46.1	10%	0.095	27%	0.266	C	S	.	.	S	Bend	trans	-71.2	169.5	175.3	-73.9	0	0	0	0	112.3	C41 S72 V76 I120	C41-C74 HydrophobicContact CB-CB 4.01Å; C41-C74 WeakPolarHBondContact CB-SG 3.42Å; C41-C74 WeakPolarHBondContact SG-CA 3.35Å; C41-C74 WeakPolarHBondContact SG-CB 3.29Å; C41-C74 CovalentContact SG-SG 2.03Å; C41-C74 PolarHBondContact SG-SG 3.33Å; S72-C74 PolarHBondContact O-N 3.46Å; S72-C74 VanDerWaalsContact OG-CB 3.32Å; S72-C74 WeakPolarHBondContact OG-CB 3.04Å; S72-C74 PolarHBondContact OG-N 3.31Å; C74-V76 PolarHBondContact O-N 2.86Å; C74-I120 HydrophobicContact CB-CG2 4.23Å
75	N	90.5	Very high	93.5	Very high	100 Å²	100	48.7 Å²	48.7	54%	0.535	29%	0.287	S	S	.	.			trans	-67.3	107	168	-172.4	-77.2	0	0	0	109.5	Q77 S121	N75-Q77 PolarHBondContact OD1-NE2 2.9Å; N75-S121 PolarHBondContact O-N 3.25Å; N75-S121 PolarHBondContact O-OG 3.3Å; N75-S121 PolarHBondContact OD1-OG 3.33Å
76	V	94.4	Very high	93.5	Very high	21 Å²	21	50.1 Å²	50.1	13%	0.127	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.6	-179	178.2	0	0	0	0	109.3	V70 C74 F78 A118 T119 I120	V70-V76 HydrophobicContact CG2-CB 4.28Å; V70-V76 HydrophobicContact CG2-CG1 3.97Å; V70-V76 HydrophobicContact CG2-CG2 3.8Å; C74-V76 PolarHBondContact O-N 2.86Å; V76-F78 HydrophobicContact CB-CE2 3.91Å; V76-F78 HydrophobicContact CB-CZ 4.16Å; V76-F78 HydrophobicContact CG1-CD1 4.44Å; V76-F78 HydrophobicContact CG1-CD2 4.11Å; V76-F78 HydrophobicContact CG1-CE1 4.03Å; V76-F78 HydrophobicContact CG1-CE2 3.64Å; V76-F78 HydrophobicContact CG1-CZ 3.61Å; V76-A118 HydrophobicContact CG1-CB 3.78Å; V76-T119 WeakPolarHBondContact CA-O 3.32Å; V76-I120 HydrophobicContact CG2-CG1 4.3Å
77	Q	94.8	Very high	93.4	Very high	105 Å²	105	50.2 Å²	50.2	49%	0.491	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.2	170.7	-62.5	-57.6	-47.9	0	0	109.7	N75 T119 S121	N75-Q77 PolarHBondContact OD1-NE2 2.9Å; Q77-T119 PolarHBondContact N-O 2.78Å; Q77-T119 PolarHBondContact O-N 2.96Å; Q77-S121 WeakPolarHBondContact CG-OG 3.43Å
78	F	96.4	Very high	93.2	Very high	37 Å²	37	50.4 Å²	50.4	16%	0.162	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.1	178.8	-64.5	-89.7	0	0	0	110.2	V70 V76 Q95 I117 A118	V70-F78 HydrophobicContact CG1-CE1 4.3Å; V70-F78 HydrophobicContact CG2-CE1 4.42Å; V70-F78 HydrophobicContact CG2-CZ 4.04Å; V76-F78 HydrophobicContact CB-CE2 3.91Å; V76-F78 HydrophobicContact CB-CZ 4.16Å; V76-F78 HydrophobicContact CG1-CD1 4.44Å; V76-F78 HydrophobicContact CG1-CD2 4.11Å; V76-F78 HydrophobicContact CG1-CE1 4.03Å; V76-F78 HydrophobicContact CG1-CE2 3.64Å; V76-F78 HydrophobicContact CG1-CZ 3.61Å; F78-Q95 PolarHBondContact O-OE1 3.14Å; F78-Q95 VanDerWaalsContact O-OE1 3.08Å; F78-I117 WeakPolarHBondContact CA-O 3.43Å; F78-A118 HydrophobicContact CD1-CB 3.97Å; F78-A118 HydrophobicContact CE1-CB 3.81Å
79	H	96.6	Very high	93.1	Very high	51 Å²	51	54.8 Å²	54.8	24%	0.236	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	140.6	167.7	52.3	-77.3	0	0	0	110.1	I117	H79-I117 VanDerWaalsContact CE1-CB 3.4Å; H79-I117 WeakPolarHBondContact CE1-CB 3.12Å; H79-I117 WeakPolarHBondContact CE1-CG2 3.44Å; H79-I117 PolarHBondContact N-O 2.87Å; H79-I117 PolarHBondContact ND1-O 2.95Å; H79-I117 WeakPolarHBondContact NE2-CB 3.03Å; H79-I117 WeakPolarHBondContact NE2-CD1 3.41Å; H79-I117 VanDerWaalsContact NE2-CG2 3.3Å; H79-I117 WeakPolarHBondContact NE2-CG2 3.32Å; H79-I117 PolarHBondContact O-N 2.86Å
80	W	97.8	Very high	93	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.2	176.6	-73.7	81.5	0	0	0	110.5	P53 L66 C68 V87 S98 L100 F114 Y115 C116	P53-W80 HydrophobicContact CB-CH2 3.71Å; P53-W80 HydrophobicContact CB-CZ3 3.97Å; P53-W80 HydrophobicContact CG-CH2 4.33Å; P53-W80 HydrophobicContact CG-CZ3 4.33Å; L66-W80 HydrophobicContact CB-CH2 3.41Å; L66-W80 VanDerWaalsContact CB-CH2 3.41Å; L66-W80 HydrophobicContact CB-CZ2 4.07Å; L66-W80 HydrophobicContact CB-CZ3 3.84Å; L66-W80 HydrophobicContact CD1-CH2 4.43Å; L66-W80 HydrophobicContact CD1-CZ3 3.99Å; L66-W80 WeakPolarHBondContact O-CZ2 3.33Å; C68-W80 HydrophobicContact CB-CH2 4.22Å; C68-W80 HydrophobicContact CB-CZ2 3.94Å; C68-W80 WeakPolarHBondContact SG-CZ2 3.17Å; W80-V87 HydrophobicContact CB-CB 4.1Å; W80-V87 HydrophobicContact CB-CG2 4.07Å; W80-V87 PolarHBondContact O-N 3Å; W80-S98 PolarHBondContact NE1-O 2.87Å; W80-L100 HydrophobicContact CB-CD2 4.16Å; W80-L100 HydrophobicContact CD2-CB 3.63Å; W80-L100 HydrophobicContact CD2-CD2 4.09Å; W80-L100 HydrophobicContact CD2-CG 4.44Å; W80-L100 HydrophobicContact CE3-CB 4.26Å; W80-L100 HydrophobicContact CE3-CD2 4.19Å; W80-L100 HydrophobicContact CG-CB 3.78Å; W80-L100 HydrophobicContact CG-CD1 4.46Å; W80-L100 HydrophobicContact CG-CD2 4.1Å; W80-L100 HydrophobicContact CG-CG 4.33Å; W80-L100 HydrophobicContact CZ2-CB 3.99Å; W80-F114 HydrophobicContact CE3-CB 4.07Å; W80-F114 HydrophobicContact CZ3-CB 4.12Å; W80-Y115 WeakPolarHBondContact CA-O 3.46Å; W80-C116 HydrophobicContact CD2-CB 3.98Å; W80-C116 HydrophobicContact CE3-CB 4Å; W80-C116 HydrophobicContact CH2-CB 4.02Å; W80-C116 HydrophobicContact CZ2-CB 3.94Å; W80-C116 HydrophobicContact CZ3-CB 4.02Å
81	V	97.1	Very high	92.9	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.03	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.5	178.2	-173.4	0	0	0	0	108.3	A85 I86 F114 Y115 I117	V81-A85 WeakPolarHBondContact CA-O 3.06Å; V81-A85 WeakPolarHBondContact CG1-O 3.3Å; V81-I86 HydrophobicContact CG2-CG1 4.4Å; V81-F114 WeakPolarHBondContact O-CA 3.15Å; V81-Y115 HydrophobicContact CB-CD1 4.44Å; V81-Y115 HydrophobicContact CB-CD2 3.97Å; V81-Y115 HydrophobicContact CB-CE1 4Å; V81-Y115 HydrophobicContact CB-CE2 3.5Å; V81-Y115 VanDerWaalsContact CB-CE2 3.5Å; V81-Y115 HydrophobicContact CB-CG 4.44Å; V81-Y115 HydrophobicContact CG1-CE1 3.93Å; V81-Y115 HydrophobicContact CG1-CE2 3.92Å; V81-Y115 VanDerWaalsContact CG1-CZ 3.44Å; V81-Y115 VanDerWaalsContact CG1-OH 3.28Å; V81-Y115 WeakPolarHBondContact CG1-OH 3.19Å; V81-Y115 HydrophobicContact CG2-CD2 4.34Å; V81-Y115 HydrophobicContact CG2-CE2 3.8Å; V81-Y115 PolarHBondContact N-O 2.73Å; V81-Y115 PolarHBondContact O-N 3.01Å; V81-I117 HydrophobicContact CG2-CD1 3.78Å; V81-I117 HydrophobicContact CG2-CG1 4.37Å
82	L	95.9	Very high	93.1	Very high	15 Å²	15	61 Å²	61	8%	0.079	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.9	173.9	172.4	64.5	0	0	0	107.6	D84 A85 V87 L109 F114	L82-D84 PolarHBondContact O-N 2.9Å; L82-A85 PolarHBondContact N-O 2.93Å; L82-A85 PolarHBondContact O-N 2.02Å; L82-V87 HydrophobicContact CB-CG2 3.97Å; L82-L109 WeakPolarHBondContact CD2-O 3.38Å; L82-F114 HydrophobicContact CB-CD1 3.95Å; L82-F114 HydrophobicContact CB-CE1 3.75Å; L82-F114 HydrophobicContact CB-CZ 4.35Å; L82-F114 HydrophobicContact CD1-CD1 4.16Å; L82-F114 HydrophobicContact CD1-CD2 4.02Å; L82-F114 HydrophobicContact CD1-CE1 3.95Å; L82-F114 HydrophobicContact CD1-CE2 3.79Å; L82-F114 HydrophobicContact CD1-CG 4.2Å; L82-F114 HydrophobicContact CD1-CZ 3.76Å; L82-F114 HydrophobicContact CD2-CE1 3.91Å; L82-F114 HydrophobicContact CD2-CZ 3.74Å; L82-F114 HydrophobicContact CG-CE1 4.07Å; L82-F114 HydrophobicContact CG-CZ 4.16Å
83	S	87.7	Confident	93.5	Very high	77 Å²	77	62 Å²	62	54%	0.538	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	49.9	177.2	-58.8	0	0	0	0	112.3	A85	S83-A85 PolarHBondContact O-N 2.78Å; S83-A85 VanDerWaalsContact O-N 3.16Å
84	D	88.1	Confident	94.2	Very high	142 Å²	142	61.6 Å²	61.6	76%	0.759	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	4.6	179.5	-49.7	-43.7	0	0	0	116.7	L82 Y115	L82-D84 PolarHBondContact O-N 2.9Å; D84-Y115 PolarHBondContact OD1-OH 2.93Å
85	A	93.9	Very high	94.6	Very high	59 Å²	59	63.1 Å²	63.1	49%	0.488	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.3	173.3	0	0	0	0	0	111.6	V81 L82 S83 V87	V81-A85 WeakPolarHBondContact CA-O 3.06Å; V81-A85 WeakPolarHBondContact CG1-O 3.3Å; L82-A85 PolarHBondContact N-O 2.93Å; L82-A85 PolarHBondContact O-N 2.02Å; S83-A85 PolarHBondContact O-N 2.78Å; S83-A85 VanDerWaalsContact O-N 3.16Å; A85-V87 PolarHBondContact O-N 2.87Å
86	I	95.3	Very high	94.8	Very high	110 Å²	110	62.9 Å²	62.9	56%	0.564	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	130.2	174.6	-62.9	174.7	0	0	0	109.3	V81 V88	V81-I86 HydrophobicContact CG2-CG1 4.4Å; I86-V88 PolarHBondContact O-N 2.85Å
87	V	95.5	Very high	94.7	Very high	6 Å²	6	65 Å²	65	4%	0.036	37%	0.368	C	S	.	.			trans	-72.9	109.7	176.7	179.1	0	0	0	0	109.2	W80 L82 A85 R93 L100 F114	W80-V87 HydrophobicContact CB-CB 4.1Å; W80-V87 HydrophobicContact CB-CG2 4.07Å; W80-V87 PolarHBondContact O-N 3Å; L82-V87 HydrophobicContact CB-CG2 3.97Å; A85-V87 PolarHBondContact O-N 2.87Å; V87-R93 HydrophobicContact CG1-CB 4Å; V87-L100 HydrophobicContact CG1-CD1 3.97Å; V87-F114 HydrophobicContact CG2-CD1 4.3Å; V87-F114 HydrophobicContact CG2-CE1 4.08Å
88	V	94	Very high	94.7	Very high	106 Å²	106	60.8 Å²	60.8	64%	0.642	35%	0.35	S	S	*	.			trans	-79.6	137.2	176.8	-177.6	0	0	0	0	110.5	I86 T90	I86-V88 PolarHBondContact O-N 2.85Å; V88-T90 PolarHBondContact O-N 2.75Å
89	N	94.8	Very high	94.8	Very high	93 Å²	93	60.5 Å²	60.5	50%	0.497	35%	0.351	S	S	.	.			trans	-63.7	125.2	173.7	-76.5	-14	0	0	0	110.5	R93 Y94 Q95	N89-R93 CarbonylContact C-O 3.53Å; N89-R93 WeakPolarHBondContact CA-O 3.26Å; N89-Y94 WeakPolarHBondContact OD1-CA 3.19Å; N89-Q95 PolarHBondContact OD1-N 2.63Å
90	T	95.3	Very high	94.8	Very high	71 Å²	71	58.1 Å²	58.1	44%	0.436	34%	0.34	S	S	.	.			trans	-137.8	176.8	178.8	58.9	0	0	0	0	108.7	V88 R92 R93	V88-T90 PolarHBondContact O-N 2.75Å; T90-R92 PolarHBondContact O-N 3.33Å; T90-R92 VanDerWaalsContact O-N 3.16Å; T90-R92 PolarHBondContact OG1-N 2.73Å; T90-R93 PolarHBondContact N-O 3.03Å; T90-R93 VanDerWaalsContact O-O 3.07Å; T90-R93 PolarHBondContact OG1-N 2.71Å; T90-R93 PolarHBondContact OG1-O 2.86Å
91	T	94.3	Very high	94.8	Very high	132 Å²	132	58.1 Å²	58.1	81%	0.81	34%	0.34	S	S	*	.	S	Bend	trans	-63.7	-16.5	171	56	0	0	0	0	113.2	T103	T91-T103 PolarHBondContact O-OG1 2.8Å
92	R	96	Very high	94.8	Very high	37 Å²	37	58 Å²	58	14%	0.14	34%	0.339	C	S	.	.	S	Bend	trans	-101.5	-45.6	-177.1	-163	-176.5	67.4	73.2	-5.6	113.3	T90 I102 T103 R104 D110	T90-R92 PolarHBondContact O-N 3.33Å; T90-R92 VanDerWaalsContact O-N 3.16Å; T90-R92 PolarHBondContact OG1-N 2.73Å; R92-I102 CarbonylContact O-C 3.58Å; R92-I102 WeakPolarHBondContact O-CA 3.33Å; R92-T103 WeakPolarHBondContact CA-OG1 3.49Å; R92-T103 PolarHBondContact O-N 3.28Å; R92-T103 PolarHBondContact O-OG1 3.47Å; R92-R104 WeakPolarHBondContact CD-O 3.39Å; R92-R104 HydrophobicContact CG-CB 4.31Å; R92-R104 WeakPolarHBondContact CG-O 3.47Å; R92-R104 PolarHBondContact NH1-O 3.29Å; R92-D110 IonicContact CZ-OD1 3.04Å; R92-D110 IonicContact CZ-OD2 3.83Å; R92-D110 VanDerWaalsContact NH1-CG 3.28Å; R92-D110 IonicContact NH1-OD1 3.1Å; R92-D110 PolarHBondContact NH1-OD1 3.03Å; R92-D110 IonicContact NH1-OD2 2.63Å; R92-D110 PolarHBondContact NH1-OD2 3.37Å; R92-D110 IonicContact NH2-OD1 2.75Å; R92-D110 PolarHBondContact NH2-OD1 2.65Å; R92-D110 IonicContact NH2-OD2 3.98Å
93	R	96.3	Very high	94.9	Very high	39 Å²	39	59.4 Å²	59.4	15%	0.147	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124	177.2	-61.2	-175.9	-179.3	148.3	4.6	108.8	V87 N89 T90 V101 I102 L109 D110	V87-R93 HydrophobicContact CG1-CB 4Å; N89-R93 CarbonylContact C-O 3.53Å; N89-R93 WeakPolarHBondContact CA-O 3.26Å; T90-R93 PolarHBondContact N-O 3.03Å; T90-R93 VanDerWaalsContact O-O 3.07Å; T90-R93 PolarHBondContact OG1-N 2.71Å; T90-R93 PolarHBondContact OG1-O 2.86Å; R93-V101 CarbonylContact C-O 3.59Å; R93-V101 WeakPolarHBondContact CA-O 3.23Å; R93-I102 HydrophobicContact CG-CG1 4.25Å; R93-I102 HydrophobicContact CG-CG2 4.39Å; R93-L109 PolarHBondContact NH2-O 2.88Å; R93-D110 IonicContact CZ-OD1 3.13Å; R93-D110 IonicContact NE-OD1 2.73Å; R93-D110 PolarHBondContact NE-OD1 3.24Å; R93-D110 IonicContact NH2-OD1 3.03Å; R93-D110 PolarHBondContact NH2-OD1 3.5Å
94	Y	96.4	Very high	95.3	Very high	73 Å²	73	63.4 Å²	63.4	29%	0.286	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	151.2	175.1	67	-84.9	0	0	0	111.1	N89 N96 V101 T103	N89-Y94 WeakPolarHBondContact OD1-CA 3.19Å; Y94-N96 HydrophobicContact CE2-CB 4.2Å; Y94-V101 HydrophobicContact CD1-CB 4.17Å; Y94-V101 HydrophobicContact CD1-CG1 4.44Å; Y94-V101 HydrophobicContact CD2-CB 4.32Å; Y94-V101 HydrophobicContact CD2-CG2 4.47Å; Y94-V101 HydrophobicContact CE1-CB 3.77Å; Y94-V101 HydrophobicContact CE1-CG1 3.65Å; Y94-V101 HydrophobicContact CE2-CB 3.95Å; Y94-V101 HydrophobicContact CE2-CG1 4.39Å; Y94-V101 HydrophobicContact CE2-CG2 3.91Å; Y94-V101 HydrophobicContact CG-CB 4.43Å; Y94-V101 PolarHBondContact N-O 2.92Å; Y94-V101 PolarHBondContact O-N 3Å; Y94-T103 HydrophobicContact CD1-CG2 4.25Å; Y94-T103 HydrophobicContact CE1-CG2 3.59Å
95	Q	95.8	Very high	95.7	Very high	47 Å²	47	56.8 Å²	56.8	22%	0.22	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	135.1	173.2	-63.8	-177.2	85.8	0	0	110.3	F78 N89 N99	F78-Q95 PolarHBondContact O-OE1 3.14Å; F78-Q95 VanDerWaalsContact O-OE1 3.08Å; N89-Q95 PolarHBondContact OD1-N 2.63Å; Q95-N99 CarbonylContact C-O 3.57Å; Q95-N99 WeakPolarHBondContact CA-O 3.33Å
96	N	94.5	Very high	95.9	Very high	95 Å²	95	56.2 Å²	56.2	51%	0.508	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	96.6	171.8	-176.3	23	0	0	0	108.9	Y94 S98 N99 V101	Y94-N96 HydrophobicContact CE2-CB 4.2Å; N96-S98 PolarHBondContact O-N 2.88Å; N96-N99 PolarHBondContact N-O 3.1Å; N96-N99 PolarHBondContact O-N 3.16Å; N96-V101 HydrophobicContact CB-CG2 3.89Å
97	G	92.9	Very high	95.8	Very high	64 Å²	64	55.4 Å²	55.4	66%	0.66	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	-126.8	-164.8	0	0	0	0	0	110
98	S	95.2	Very high	95.7	Very high	17 Å²	17	59.4 Å²	59.4	12%	0.119	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-15.8	174.5	56.9	0	0	0	0	113.6	C68 W80 N96	C68-S98 WeakPolarHBondContact O-CB 3.3Å; C68-S98 PolarHBondContact O-OG 3.03Å; C68-S98 PolarHBondContact SG-O 2.77Å; W80-S98 PolarHBondContact NE1-O 2.87Å; N96-S98 PolarHBondContact O-N 2.88Å
99	N	96.9	Very high	95.7	Very high	32 Å²	32	58.7 Å²	58.7	17%	0.171	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	142.4	-167.3	-55.9	-40.8	0	0	0	112	F65 L66 E67 C68 Q95 N96	F65-N99 HydrophobicContact CD2-CB 4.21Å; F65-N99 HydrophobicContact CE1-CB 4.31Å; F65-N99 HydrophobicContact CE2-CB 3.27Å; F65-N99 HydrophobicContact CZ-CB 3.35Å; F65-N99 VanDerWaalsContact CZ-ND2 3.35Å; F65-N99 WeakPolarHBondContact CZ-ND2 3.27Å; L66-N99 CarbonylContact O-C 3.59Å; L66-N99 WeakPolarHBondContact O-CA 3.49Å; L66-N99 WeakPolarHBondContact O-CB 3.48Å; E67-N99 VanDerWaalsContact CA-OD1 3.25Å; E67-N99 WeakPolarHBondContact CA-OD1 3.49Å; C68-N99 PolarHBondContact N-OD1 2.93Å; Q95-N99 CarbonylContact C-O 3.57Å; Q95-N99 WeakPolarHBondContact CA-O 3.33Å; N96-N99 PolarHBondContact N-O 3.1Å; N96-N99 PolarHBondContact O-N 3.16Å
100	L	97.8	Very high	95.7	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.5	174.6	179.6	62.7	0	0	0	110.4	F65 L66 W80 V87 I102 F114	F65-L100 WeakPolarHBondContact CA-O 3.4Å; L66-L100 HydrophobicContact CB-CB 4.36Å; L66-L100 HydrophobicContact CD1-CD2 4.39Å; L66-L100 PolarHBondContact N-O 3.4Å; L66-L100 PolarHBondContact O-N 3.06Å; W80-L100 HydrophobicContact CB-CD2 4.16Å; W80-L100 HydrophobicContact CD2-CB 3.63Å; W80-L100 HydrophobicContact CD2-CD2 4.09Å; W80-L100 HydrophobicContact CD2-CG 4.44Å; W80-L100 HydrophobicContact CE3-CB 4.26Å; W80-L100 HydrophobicContact CE3-CD2 4.19Å; W80-L100 HydrophobicContact CG-CB 3.78Å; W80-L100 HydrophobicContact CG-CD1 4.46Å; W80-L100 HydrophobicContact CG-CD2 4.1Å; W80-L100 HydrophobicContact CG-CG 4.33Å; W80-L100 HydrophobicContact CZ2-CB 3.99Å; V87-L100 HydrophobicContact CG1-CD1 3.97Å; L100-I102 HydrophobicContact CD2-CD1 4.46Å; L100-I102 HydrophobicContact CD2-CG1 4.49Å; L100-I102 HydrophobicContact CG-CG1 4.31Å; L100-F114 HydrophobicContact CD2-CD1 3.51Å; L100-F114 HydrophobicContact CD2-CE1 3.62Å; L100-F114 HydrophobicContact CD2-CG 4.35Å
101	V	97.5	Very high	95.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.9	173.5	-172.3	0	0	0	0	109.4	F65 R93 Y94 N96	F65-V101 HydrophobicContact CD2-CG2 3.87Å; F65-V101 HydrophobicContact CE2-CG2 4.01Å; R93-V101 CarbonylContact C-O 3.59Å; R93-V101 WeakPolarHBondContact CA-O 3.23Å; Y94-V101 HydrophobicContact CD1-CB 4.17Å; Y94-V101 HydrophobicContact CD1-CG1 4.44Å; Y94-V101 HydrophobicContact CD2-CB 4.32Å; Y94-V101 HydrophobicContact CD2-CG2 4.47Å; Y94-V101 HydrophobicContact CE1-CB 3.77Å; Y94-V101 HydrophobicContact CE1-CG1 3.65Å; Y94-V101 HydrophobicContact CE2-CB 3.95Å; Y94-V101 HydrophobicContact CE2-CG1 4.39Å; Y94-V101 HydrophobicContact CE2-CG2 3.91Å; Y94-V101 HydrophobicContact CG-CB 4.43Å; Y94-V101 PolarHBondContact N-O 2.92Å; Y94-V101 PolarHBondContact O-N 3Å; N96-V101 HydrophobicContact CB-CG2 3.89Å
102	I	97.7	Very high	95.3	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	113.1	170.2	-52.4	-179.8	0	0	0	107.5	R63 A64 R92 R93 L100 V105 F114 L134	R63-I102 CarbonylContact C-O 3.55Å; R63-I102 VanDerWaalsContact CA-O 3.27Å; R63-I102 WeakPolarHBondContact CA-O 3.04Å; R63-I102 WeakPolarHBondContact CG-O 3.23Å; A64-I102 HydrophobicContact CB-CB 4.33Å; A64-I102 PolarHBondContact N-O 3.22Å; A64-I102 PolarHBondContact O-N 3.36Å; R92-I102 CarbonylContact O-C 3.58Å; R92-I102 WeakPolarHBondContact O-CA 3.33Å; R93-I102 HydrophobicContact CG-CG1 4.25Å; R93-I102 HydrophobicContact CG-CG2 4.39Å; L100-I102 HydrophobicContact CD2-CD1 4.46Å; L100-I102 HydrophobicContact CD2-CG1 4.49Å; L100-I102 HydrophobicContact CG-CG1 4.31Å; I102-V105 HydrophobicContact CB-CG2 4.16Å; I102-V105 HydrophobicContact CG2-CG2 3.8Å; I102-F114 HydrophobicContact CD1-CE1 4.39Å; I102-F114 HydrophobicContact CD1-CE2 4.37Å; I102-F114 HydrophobicContact CD1-CZ 3.85Å; I102-L134 HydrophobicContact CD1-CD2 3.91Å
103	T	97.4	Very high	95.3	Very high	43 Å²	43	53 Å²	53	26%	0.264	29%	0.289	S	S	.	.	S	Bend	trans	-74.4	-37.4	-174.5	58.3	0	0	0	0	112.9	T91 R92 Y94	T91-T103 PolarHBondContact O-OG1 2.8Å; R92-T103 WeakPolarHBondContact CA-OG1 3.49Å; R92-T103 PolarHBondContact O-N 3.28Å; R92-T103 PolarHBondContact O-OG1 3.47Å; Y94-T103 HydrophobicContact CD1-CG2 4.25Å; Y94-T103 HydrophobicContact CE1-CG2 3.59Å
104	R	96.5	Very high	95.3	Very high	162 Å²	162	51.1 Å²	51.1	61%	0.611	28%	0.282	S	S	*	.	S	Bend	trans	-134.6	104.6	175.1	-69.7	-178.4	-73.3	174.3	-3	108.4	R92	R92-R104 WeakPolarHBondContact CD-O 3.39Å; R92-R104 HydrophobicContact CG-CB 4.31Å; R92-R104 WeakPolarHBondContact CG-O 3.47Å; R92-R104 PolarHBondContact NH1-O 3.29Å
105	V	97	Very high	95.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	28%	0.275	C	S	.	.			trans	-68.7	138.4	175.3	173.9	0	0	0	0	109.6	V58 G61 S62 A64 I102 D110 L134 I136	V58-V105 HydrophobicContact CG2-CB 4.35Å; V58-V105 HydrophobicContact CG2-CG1 4.11Å; V58-V105 HydrophobicContact CG2-CG2 4.01Å; G61-V105 WeakPolarHBondContact CA-O 3.28Å; G61-V105 PolarHBondContact N-O 2.85Å; S62-V105 WeakPolarHBondContact O-CG2 3.28Å; S62-V105 PolarHBondContact O-N 2.91Å; A64-V105 HydrophobicContact CB-CG2 3.47Å; A64-V105 VanDerWaalsContact CB-CG2 3.47Å; I102-V105 HydrophobicContact CB-CG2 4.16Å; I102-V105 HydrophobicContact CG2-CG2 3.8Å; V105-D110 VanDerWaalsContact CA-OD2 3.32Å; V105-D110 WeakPolarHBondContact CA-OD2 3.03Å; V105-D110 HydrophobicContact CG1-CB 4.48Å; V105-L134 HydrophobicContact CG1-CD2 4.01Å; V105-L134 HydrophobicContact CG2-CD2 4.21Å; V105-I136 HydrophobicContact CG1-CB 4.22Å; V105-I136 HydrophobicContact CG1-CD1 3.38Å; V105-I136 HydrophobicContact CG1-CG1 3.47Å; V105-I136 VanDerWaalsContact CG1-CG1 3.47Å; V105-I136 HydrophobicContact CG1-CG2 3.73Å
106	N	96.2	Very high	95.4	Very high	48 Å²	48	47 Å²	47	26%	0.257	26%	0.264	S	S	.	.			trans	-134.7	125.6	-178.1	174.5	-65.2	0	0	0	109	S108 L109 D110	N106-S108 VanDerWaalsContact C-N 3.28Å; N106-S108 PolarHBondContact O-N 3.04Å; N106-S108 WeakPolarHBondContact OD1-CA 3.32Å; N106-S108 PolarHBondContact OD1-N 2.96Å; N106-S108 PolarHBondContact OD1-OG 2.84Å; N106-L109 HydrophobicContact CB-CB 4.25Å; N106-L109 HydrophobicContact CB-CD1 4.3Å; N106-L109 HydrophobicContact CB-CG 4.43Å; N106-L109 PolarHBondContact O-N 2.62Å; N106-L109 PolarHBondContact OD1-N 2.67Å; N106-D110 PolarHBondContact N-OD2 3.26Å; N106-D110 WeakPolarHBondContact O-CB 3.48Å; N106-D110 PolarHBondContact O-N 2.88Å
107	R	93.8	Very high	95.5	Very high	92 Å²	92	43.9 Å²	43.9	35%	0.347	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.4	-172.9	70.2	-171.3	164.4	145.7	-9.6	114.9	E60 S111 I136 N140	E60-R107 WeakPolarHBondContact OE1-CG 3.4Å; E60-R107 PolarHBondContact OE1-N 3.23Å; E60-R107 IonicContact OE1-NE 2.71Å; E60-R107 WeakPolarHBondContact OE2-CD 3.27Å; E60-R107 IonicContact OE2-NE 3.4Å; E60-R107 PolarHBondContact OE2-NE 3.49Å; R107-S111 WeakPolarHBondContact O-CB 3.48Å; R107-I136 HydrophobicContact CB-CB 4.41Å; R107-I136 HydrophobicContact CB-CD1 4.47Å; R107-I136 HydrophobicContact CB-CG2 4.13Å; R107-N140 PolarHBondContact NH2-OD1 3.2Å
108	S	93.4	Very high	95.7	Very high	90 Å²	90	40.9 Å²	40.9	63%	0.629	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-20.3	178.3	57.5	0	0	0	0	114	N106	N106-S108 VanDerWaalsContact C-N 3.28Å; N106-S108 PolarHBondContact O-N 3.04Å; N106-S108 WeakPolarHBondContact OD1-CA 3.32Å; N106-S108 PolarHBondContact OD1-N 2.96Å; N106-S108 PolarHBondContact OD1-OG 2.84Å
109	L	94	Very high	95.7	Very high	92 Å²	92	41.6 Å²	41.6	48%	0.482	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-40.9	-176.6	-62.6	176.9	0	0	0	111.8	L82 R93 N106	L82-L109 WeakPolarHBondContact CD2-O 3.38Å; R93-L109 PolarHBondContact NH2-O 2.88Å; N106-L109 HydrophobicContact CB-CB 4.25Å; N106-L109 HydrophobicContact CB-CD1 4.3Å; N106-L109 HydrophobicContact CB-CG 4.43Å; N106-L109 PolarHBondContact O-N 2.62Å; N106-L109 PolarHBondContact OD1-N 2.67Å
110	D	95.3	Very high	95.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-98.6	11	-172.3	-53	-51.3	0	0	0	113.2	R92 R93 V105 N106 F114 L134 I136	R92-D110 IonicContact CZ-OD1 3.04Å; R92-D110 IonicContact CZ-OD2 3.83Å; R92-D110 VanDerWaalsContact NH1-CG 3.28Å; R92-D110 IonicContact NH1-OD1 3.1Å; R92-D110 PolarHBondContact NH1-OD1 3.03Å; R92-D110 IonicContact NH1-OD2 2.63Å; R92-D110 PolarHBondContact NH1-OD2 3.37Å; R92-D110 IonicContact NH2-OD1 2.75Å; R92-D110 PolarHBondContact NH2-OD1 2.65Å; R92-D110 IonicContact NH2-OD2 3.98Å; R93-D110 IonicContact CZ-OD1 3.13Å; R93-D110 IonicContact NE-OD1 2.73Å; R93-D110 PolarHBondContact NE-OD1 3.24Å; R93-D110 IonicContact NH2-OD1 3.03Å; R93-D110 PolarHBondContact NH2-OD1 3.5Å; V105-D110 VanDerWaalsContact CA-OD2 3.32Å; V105-D110 WeakPolarHBondContact CA-OD2 3.03Å; V105-D110 HydrophobicContact CG1-CB 4.48Å; N106-D110 PolarHBondContact N-OD2 3.26Å; N106-D110 WeakPolarHBondContact O-CB 3.48Å; N106-D110 PolarHBondContact O-N 2.88Å; D110-F114 HydrophobicContact CB-CZ 4.36Å; D110-L134 HydrophobicContact CB-CD2 3.92Å; D110-I136 HydrophobicContact CB-CD1 3.91Å
111	S	90.4	Very high	95.2	Very high	69 Å²	69	43 Å²	43	48%	0.483	23%	0.232	S	C	.	.			trans	-71.6	129.3	173.4	56	0	0	0	0	110.7	R107	R107-S111 WeakPolarHBondContact O-CB 3.48Å
112	G	91.1	Very high	94.8	Very high	33 Å²	33	47.6 Å²	47.6	34%	0.34	26%	0.261	S	S	.	.	S	Bend	trans	137	-162.7	176.1	0	0	0	0	0	111.9
113	E	94.3	Very high	94.3	Very high	110 Å²	110	50.4 Å²	50.4	51%	0.514	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.7	179.1	-62.2	-169.6	135.1	0	0	109.9	P131	E113-P131 HydrophobicContact CB-CB 4.13Å
114	F	97.1	Very high	94	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	137.1	172.4	-70.8	-88.4	0	0	0	109.5	L66 W80 V81 L82 V87 L100 I102 D110 P131 A132 L134	L66-F114 HydrophobicContact CD1-CB 3.56Å; L66-F114 HydrophobicContact CD1-CD1 4.41Å; L66-F114 HydrophobicContact CD1-CD2 3.88Å; L66-F114 HydrophobicContact CD1-CG 3.7Å; W80-F114 HydrophobicContact CE3-CB 4.07Å; W80-F114 HydrophobicContact CZ3-CB 4.12Å; V81-F114 WeakPolarHBondContact O-CA 3.15Å; L82-F114 HydrophobicContact CB-CD1 3.95Å; L82-F114 HydrophobicContact CB-CE1 3.75Å; L82-F114 HydrophobicContact CB-CZ 4.35Å; L82-F114 HydrophobicContact CD1-CD1 4.16Å; L82-F114 HydrophobicContact CD1-CD2 4.02Å; L82-F114 HydrophobicContact CD1-CE1 3.95Å; L82-F114 HydrophobicContact CD1-CE2 3.79Å; L82-F114 HydrophobicContact CD1-CG 4.2Å; L82-F114 HydrophobicContact CD1-CZ 3.76Å; L82-F114 HydrophobicContact CD2-CE1 3.91Å; L82-F114 HydrophobicContact CD2-CZ 3.74Å; L82-F114 HydrophobicContact CG-CE1 4.07Å; L82-F114 HydrophobicContact CG-CZ 4.16Å; V87-F114 HydrophobicContact CG2-CD1 4.3Å; V87-F114 HydrophobicContact CG2-CE1 4.08Å; L100-F114 HydrophobicContact CD2-CD1 3.51Å; L100-F114 HydrophobicContact CD2-CE1 3.62Å; L100-F114 HydrophobicContact CD2-CG 4.35Å; I102-F114 HydrophobicContact CD1-CE1 4.39Å; I102-F114 HydrophobicContact CD1-CE2 4.37Å; I102-F114 HydrophobicContact CD1-CZ 3.85Å; D110-F114 HydrophobicContact CB-CZ 4.36Å; F114-P131 CarbonylContact O-C 3.59Å; F114-A132 PolarHBondContact N-O 3.16Å; F114-A132 PolarHBondContact O-N 2.97Å; F114-L134 HydrophobicContact CD2-CB 4.25Å; F114-L134 HydrophobicContact CE2-CB 4.03Å; F114-L134 HydrophobicContact CE2-CD2 4.03Å
115	Y	97.2	Very high	93.8	Very high	34 Å²	34	46.1 Å²	46.1	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.8	167	58.1	-91.7	0	0	0	110.2	W80 V81 D84 I117 Q128	W80-Y115 WeakPolarHBondContact CA-O 3.46Å; V81-Y115 HydrophobicContact CB-CD1 4.44Å; V81-Y115 HydrophobicContact CB-CD2 3.97Å; V81-Y115 HydrophobicContact CB-CE1 4Å; V81-Y115 HydrophobicContact CB-CE2 3.5Å; V81-Y115 VanDerWaalsContact CB-CE2 3.5Å; V81-Y115 HydrophobicContact CB-CG 4.44Å; V81-Y115 HydrophobicContact CG1-CE1 3.93Å; V81-Y115 HydrophobicContact CG1-CE2 3.92Å; V81-Y115 VanDerWaalsContact CG1-CZ 3.44Å; V81-Y115 VanDerWaalsContact CG1-OH 3.28Å; V81-Y115 WeakPolarHBondContact CG1-OH 3.19Å; V81-Y115 HydrophobicContact CG2-CD2 4.34Å; V81-Y115 HydrophobicContact CG2-CE2 3.8Å; V81-Y115 PolarHBondContact N-O 2.73Å; V81-Y115 PolarHBondContact O-N 3.01Å; D84-Y115 PolarHBondContact OD1-OH 2.93Å; Y115-I117 HydrophobicContact CD2-CG1 4.13Å; Y115-I117 HydrophobicContact CE2-CD1 4.03Å; Y115-I117 HydrophobicContact CE2-CG1 4.13Å; Y115-Q128 HydrophobicContact CD2-CG 3.6Å; Y115-Q128 HydrophobicContact CE2-CG 4.05Å; Y115-Q128 HydrophobicContact CG-CG 4.31Å
116	C	97.4	Very high	93.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.1	-175.6	170.1	0	0	0	0	108.6	F49 C68 W80 S129	F49-C116 HydrophobicContact CE1-CB 4.41Å; F49-C116 WeakPolarHBondContact CZ-O 3.48Å; C68-C116 HydrophobicContact CB-CB 3.48Å; C68-C116 VanDerWaalsContact CB-CB 3.48Å; C68-C116 WeakPolarHBondContact CB-SG 3.32Å; C68-C116 WeakPolarHBondContact SG-CB 3.24Å; C68-C116 CovalentContact SG-SG 2.05Å; C68-C116 PolarHBondContact SG-SG 3.4Å; W80-C116 HydrophobicContact CD2-CB 3.98Å; W80-C116 HydrophobicContact CE3-CB 4Å; W80-C116 HydrophobicContact CH2-CB 4.02Å; W80-C116 HydrophobicContact CZ2-CB 3.94Å; W80-C116 HydrophobicContact CZ3-CB 4.02Å; C116-S129 PolarHBondContact N-OG 2.75Å; C116-S129 WeakPolarHBondContact O-CB 3.37Å; C116-S129 PolarHBondContact O-N 2.81Å; C116-S129 PolarHBondContact O-OG 2.75Å
117	I	96.9	Very high	93.6	Very high	30 Å²	30	50.2 Å²	50.2	15%	0.154	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.7	173.1	-58.1	172.2	0	0	0	107.7	F78 H79 V81 Y115 A126 K127 Q128	F78-I117 WeakPolarHBondContact CA-O 3.43Å; H79-I117 VanDerWaalsContact CE1-CB 3.4Å; H79-I117 WeakPolarHBondContact CE1-CB 3.12Å; H79-I117 WeakPolarHBondContact CE1-CG2 3.44Å; H79-I117 PolarHBondContact N-O 2.87Å; H79-I117 PolarHBondContact ND1-O 2.95Å; H79-I117 WeakPolarHBondContact NE2-CB 3.03Å; H79-I117 WeakPolarHBondContact NE2-CD1 3.41Å; H79-I117 VanDerWaalsContact NE2-CG2 3.3Å; H79-I117 WeakPolarHBondContact NE2-CG2 3.32Å; H79-I117 PolarHBondContact O-N 2.86Å; V81-I117 HydrophobicContact CG2-CD1 3.78Å; V81-I117 HydrophobicContact CG2-CG1 4.37Å; Y115-I117 HydrophobicContact CD2-CG1 4.13Å; Y115-I117 HydrophobicContact CE2-CD1 4.03Å; Y115-I117 HydrophobicContact CE2-CG1 4.13Å; I117-A126 HydrophobicContact CG2-CB 4.23Å; I117-K127 WeakPolarHBondContact CA-O 3.46Å; I117-Q128 HydrophobicContact CG1-CG 4.43Å
118	A	96.4	Very high	93.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.9	179	0	0	0	0	0	109.3	F47 F49 V70 V76 F78 A126 K127	F47-A118 HydrophobicContact CE2-CB 4.34Å; F49-A118 HydrophobicContact CE1-CB 4.01Å; F49-A118 HydrophobicContact CZ-CB 3.69Å; V70-A118 HydrophobicContact CG1-CB 3.47Å; V70-A118 VanDerWaalsContact CG1-CB 3.47Å; V76-A118 HydrophobicContact CG1-CB 3.78Å; F78-A118 HydrophobicContact CD1-CB 3.97Å; F78-A118 HydrophobicContact CE1-CB 3.81Å; A118-A126 CarbonylContact O-C 3.55Å; A118-A126 VanDerWaalsContact O-CA 3.23Å; A118-A126 WeakPolarHBondContact O-CA 3.5Å; A118-K127 PolarHBondContact N-O 2.85Å; A118-K127 PolarHBondContact O-N 2.92Å
119	T	95	Very high	94	Very high	33 Å²	33	47.3 Å²	47.3	20%	0.202	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125	-178.8	-55	0	0	0	0	110.4	V76 Q77 S121 L125 A126	V76-T119 WeakPolarHBondContact CA-O 3.32Å; Q77-T119 PolarHBondContact N-O 2.78Å; Q77-T119 PolarHBondContact O-N 2.96Å; T119-S121 PolarHBondContact O-N 2.95Å; T119-L125 CarbonylContact C-O 3.57Å; T119-L125 WeakPolarHBondContact CA-O 3.38Å; T119-A126 HydrophobicContact CG2-CB 4.37Å
120	I	93	Very high	94.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.1	175.6	-62.3	175.9	0	0	0	108.9	F47 C74 V76 T122 T123 G124 L125	F47-I120 HydrophobicContact CD1-CD1 3.6Å; F47-I120 HydrophobicContact CD1-CG1 4.48Å; F47-I120 HydrophobicContact CE1-CD1 3.68Å; F47-I120 HydrophobicContact CE1-CG1 4.2Å; F47-I120 HydrophobicContact CG-CD1 4.14Å; F47-I120 HydrophobicContact CZ-CD1 4.27Å; F47-I120 HydrophobicContact CZ-CG1 4.32Å; C74-I120 HydrophobicContact CB-CG2 4.23Å; V76-I120 HydrophobicContact CG2-CG1 4.3Å; I120-T122 VanDerWaalsContact C-N 3.27Å; I120-T122 WeakPolarHBondContact CG2-OG1 3.31Å; I120-T122 PolarHBondContact O-N 2.74Å; I120-T123 PolarHBondContact O-N 2.83Å; I120-G124 WeakPolarHBondContact O-CA 3.31Å; I120-G124 PolarHBondContact O-N 3.21Å; I120-L125 PolarHBondContact N-O 2.91Å
121	S	91.8	Very high	94.1	Very high	62 Å²	62	51.4 Å²	51.4	43%	0.434	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-33	-174.8	-59.6	0	0	0	0	114	N75 Q77 T119	N75-S121 PolarHBondContact O-N 3.25Å; N75-S121 PolarHBondContact O-OG 3.3Å; N75-S121 PolarHBondContact OD1-OG 3.33Å; Q77-S121 WeakPolarHBondContact CG-OG 3.43Å; T119-S121 PolarHBondContact O-N 2.95Å
122	T	88.7	Confident	94.5	Very high	97 Å²	97	48.2 Å²	48.2	60%	0.595	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-27.8	-175.8	49.2	0	0	0	0	113.6	I120	I120-T122 VanDerWaalsContact C-N 3.27Å; I120-T122 WeakPolarHBondContact CG2-OG1 3.31Å; I120-T122 PolarHBondContact O-N 2.74Å
123	T	87.4	Confident	94.6	Very high	62 Å²	62	49.8 Å²	49.8	38%	0.38	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-16.6	-174.9	61	0	0	0	0	114.2	V43 I120 L125	V43-T123 HydrophobicContact CB-CG2 4.26Å; V43-T123 HydrophobicContact CG1-CG2 3.63Å; V43-T123 HydrophobicContact CG2-CG2 3.67Å; I120-T123 PolarHBondContact O-N 2.83Å; T123-L125 PolarHBondContact O-N 2.63Å; T123-L125 WeakPolarHBondContact OG1-CG 3.26Å; T123-L125 PolarHBondContact OG1-N 2.92Å
124	G	90.3	Very high	94.7	Very high	50 Å²	50	45 Å²	45	52%	0.515	27%	0.267	S	S	.	.			trans	72.4	2.4	-172.9	0	0	0	0	0	114.2	I120 A126	I120-G124 WeakPolarHBondContact O-CA 3.31Å; I120-G124 PolarHBondContact O-N 3.21Å; G124-A126 PolarHBondContact O-N 2.6Å
125	L	92.3	Very high	94.5	Very high	65 Å²	65	46 Å²	46	34%	0.34	28%	0.275	S	S	.	.			trans	-64.1	127.4	176.8	-68	174.9	0	0	0	110	V43 E45 F47 T119 I120 T123	V43-L125 HydrophobicContact CG1-CD1 4.47Å; E45-L125 HydrophobicContact CB-CD1 4.33Å; E45-L125 HydrophobicContact CG-CD1 3.93Å; F47-L125 HydrophobicContact CE1-CB 4.1Å; T119-L125 CarbonylContact C-O 3.57Å; T119-L125 WeakPolarHBondContact CA-O 3.38Å; I120-L125 PolarHBondContact N-O 2.91Å; T123-L125 PolarHBondContact O-N 2.63Å; T123-L125 WeakPolarHBondContact OG1-CG 3.26Å; T123-L125 PolarHBondContact OG1-N 2.92Å
126	A	94.7	Very high	94.5	Very high	57 Å²	57	45 Å²	45	47%	0.471	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.2	-178.8	0	0	0	0	0	111.6	I117 A118 T119 G124	I117-A126 HydrophobicContact CG2-CB 4.23Å; A118-A126 CarbonylContact O-C 3.55Å; A118-A126 VanDerWaalsContact O-CA 3.23Å; A118-A126 WeakPolarHBondContact O-CA 3.5Å; T119-A126 HydrophobicContact CG2-CB 4.37Å; G124-A126 PolarHBondContact O-N 2.6Å
127	K	95.9	Very high	94.4	Very high	78 Å²	78	46.2 Å²	46.2	34%	0.339	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.9	169.9	-70.2	-170.4	-175.4	-169	0	110.8	E45 F47 F49 I117 A118	E45-K127 PolarHBondContact O-NZ 2.71Å; F47-K127 HydrophobicContact CD1-CD 4.3Å; F47-K127 HydrophobicContact CD2-CD 4.34Å; F47-K127 HydrophobicContact CE1-CD 4.02Å; F47-K127 HydrophobicContact CE1-CG 3.94Å; F47-K127 HydrophobicContact CE2-CB 3.89Å; F47-K127 HydrophobicContact CE2-CD 4.06Å; F47-K127 HydrophobicContact CE2-CG 3.97Å; F47-K127 HydrophobicContact CG-CD 4.49Å; F47-K127 HydrophobicContact CZ-CB 3.82Å; F47-K127 HydrophobicContact CZ-CD 3.9Å; F47-K127 HydrophobicContact CZ-CG 3.54Å; F47-K127 WeakPolarHBondContact O-CD 3.17Å; F47-K127 WeakPolarHBondContact O-CE 3.18Å; F47-K127 PolarHBondContact O-NZ 3.14Å; F49-K127 HydrophobicContact CE2-CB 3.87Å; F49-K127 WeakPolarHBondContact CE2-O 3.38Å; F49-K127 WeakPolarHBondContact CZ-O 3.37Å; I117-K127 WeakPolarHBondContact CA-O 3.46Å; A118-K127 PolarHBondContact N-O 2.85Å; A118-K127 PolarHBondContact O-N 2.92Å
128	Q	96.4	Very high	94.4	Very high	118 Å²	118	47.3 Å²	47.3	55%	0.551	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.7	177.8	-176.2	176.3	-49.3	0	0	110.9	F49 Y115 I117	F49-Q128 WeakPolarHBondContact CE2-O 3.38Å; Y115-Q128 HydrophobicContact CD2-CG 3.6Å; Y115-Q128 HydrophobicContact CE2-CG 4.05Å; Y115-Q128 HydrophobicContact CG-CG 4.31Å; I117-Q128 HydrophobicContact CG1-CG 4.43Å
129	S	97.3	Very high	94.4	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.028	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-76.3	172.7	175.3	77.9	0	0	0	0	112	F49 P53 C116	F49-S129 VanDerWaalsContact CE2-N 3.33Å; P53-S129 WeakPolarHBondContact CG-OG 3.4Å; C116-S129 PolarHBondContact N-OG 2.75Å; C116-S129 WeakPolarHBondContact O-CB 3.37Å; C116-S129 PolarHBondContact O-N 2.81Å; C116-S129 PolarHBondContact O-OG 2.75Å
130	Q	96.9	Very high	94.2	Very high	120 Å²	120	49.1 Å²	49.1	56%	0.561	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-64.3	151.1	163.2	-65.2	-60.6	-39	0	0	110.6	P53	P53-Q130 WeakPolarHBondContact CG-O 3.44Å
131	P	96.5	Very high	93.9	Very high	57 Å²	57	57.2 Å²	57.2	37%	0.37	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-73.4	147.6	174.9	30.4	-33.9	0	0	0	111.5	E113 F114	E113-P131 HydrophobicContact CB-CB 4.13Å; F114-P131 CarbonylContact O-C 3.59Å
132	A	97	Very high	93.7	Very high	2 Å²	2	58.6 Å²	58.6	2%	0.017	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.9	175.3	0	0	0	0	0	110.3	P53 L66 F114	P53-A132 HydrophobicContact CB-CB 3.71Å; P53-A132 HydrophobicContact CG-CB 4.05Å; L66-A132 HydrophobicContact CD2-CB 4.49Å; F114-A132 PolarHBondContact N-O 3.16Å; F114-A132 PolarHBondContact O-N 2.97Å
133	S	94.8	Very high	93.8	Very high	66 Å²	66	54 Å²	54	46%	0.462	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.2	175.9	55	0	0	0	0	111.2	G55 I56	G55-S133 CarbonylContact C-O 3.46Å; G55-S133 WeakPolarHBondContact CA-O 3.35Å; I56-S133 PolarHBondContact N-O 2.83Å; I56-S133 VanDerWaalsContact N-O 3.15Å
134	L	94.9	Very high	94.1	Very high	11 Å²	11	54.1 Å²	54.1	6%	0.058	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	101.1	172	-175.9	61	0	0	0	108.8	I56 V58 A64 I102 V105 D110 F114 I136	I56-L134 HydrophobicContact CD1-CD1 3.83Å; I56-L134 HydrophobicContact CG1-CD1 3.5Å; V58-L134 HydrophobicContact CG2-CD1 3.66Å; V58-L134 HydrophobicContact CG2-CG 4.41Å; A64-L134 HydrophobicContact CB-CD1 4.14Å; I102-L134 HydrophobicContact CD1-CD2 3.91Å; V105-L134 HydrophobicContact CG1-CD2 4.01Å; V105-L134 HydrophobicContact CG2-CD2 4.21Å; D110-L134 HydrophobicContact CB-CD2 3.92Å; F114-L134 HydrophobicContact CD2-CB 4.25Å; F114-L134 HydrophobicContact CE2-CB 4.03Å; F114-L134 HydrophobicContact CE2-CD2 4.03Å; L134-I136 HydrophobicContact CD2-CD1 4.33Å; L134-I136 HydrophobicContact CD2-CG1 4.43Å; L134-I136 HydrophobicContact CG-CD1 4.37Å; L134-I136 HydrophobicContact CG-CG1 4.01Å
135	A	94.8	Very high	94.3	Very high	21 Å²	21	52.2 Å²	52.2	17%	0.174	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	119.8	175.7	0	0	0	0	0	109.8	I56 T57 V58	I56-A135 PolarHBondContact O-N 2.85Å; T57-A135 CarbonylContact C-O 3.58Å; T57-A135 VanDerWaalsContact CA-O 3.26Å; T57-A135 WeakPolarHBondContact CA-O 3.39Å; T57-A135 HydrophobicContact CG2-CB 4.08Å; V58-A135 PolarHBondContact N-O 2.92Å
136	I	96.4	Very high	94.4	Very high	11 Å²	11	51.7 Å²	51.7	6%	0.056	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111.6	-170.8	-54.4	171.3	0	0	0	108.8	V58 E60 V105 R107 D110 L134 W138 Y166	V58-I136 CarbonylContact O-C 3.58Å; V58-I136 VanDerWaalsContact O-CA 3.31Å; V58-I136 WeakPolarHBondContact O-CA 3.38Å; E60-I136 HydrophobicContact CB-CG2 3.85Å; E60-I136 HydrophobicContact CG-CG2 4.46Å; V105-I136 HydrophobicContact CG1-CB 4.22Å; V105-I136 HydrophobicContact CG1-CD1 3.38Å; V105-I136 HydrophobicContact CG1-CG1 3.47Å; V105-I136 VanDerWaalsContact CG1-CG1 3.47Å; V105-I136 HydrophobicContact CG1-CG2 3.73Å; R107-I136 HydrophobicContact CB-CB 4.41Å; R107-I136 HydrophobicContact CB-CD1 4.47Å; R107-I136 HydrophobicContact CB-CG2 4.13Å; D110-I136 HydrophobicContact CB-CD1 3.91Å; L134-I136 HydrophobicContact CD2-CD1 4.33Å; L134-I136 HydrophobicContact CD2-CG1 4.43Å; L134-I136 HydrophobicContact CG-CD1 4.37Å; L134-I136 HydrophobicContact CG-CG1 4.01Å; I136-W138 VanDerWaalsContact O-CD1 3.29Å; I136-W138 PolarHBondContact O-N 2.91Å; I136-Y166 VanDerWaalsContact O-CD2 3.31Å; I136-Y166 WeakPolarHBondContact O-CD2 3.23Å
137	L	96	Very high	94.3	Very high	27 Å²	27	51 Å²	51	14%	0.141	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.9	177.4	-49.9	176.9	0	0	0	109.6	T57 V58 R59 E60 Y166 A214	T57-L137 HydrophobicContact CG2-CD1 3.98Å; T57-L137 HydrophobicContact CG2-CD2 3.42Å; T57-L137 VanDerWaalsContact CG2-CD2 3.42Å; T57-L137 HydrophobicContact CG2-CG 3.64Å; V58-L137 PolarHBondContact O-N 3.44Å; R59-L137 WeakPolarHBondContact CA-O 3.33Å; R59-L137 HydrophobicContact CB-CB 4.49Å; E60-L137 PolarHBondContact N-O 3.19Å; L137-Y166 HydrophobicContact CD2-CD1 3.48Å; L137-Y166 VanDerWaalsContact CD2-CD1 3.48Å; L137-Y166 HydrophobicContact CD2-CE1 3.71Å; L137-Y166 HydrophobicContact CD2-CG 4.08Å; L137-A214 HydrophobicContact CB-CB 3.97Å
138	W	96.3	Very high	94	Very high	53 Å²	53	50.9 Å²	50.9	20%	0.201	28%	0.276	C	S	.	.			trans	-139.2	157.9	178.5	64.2	-90.4	0	0	0	111.8	E60 I136 N140 E164 G165 Y166 N212 A214	E60-W138 HydrophobicContact CB-CB 4.37Å; I136-W138 VanDerWaalsContact O-CD1 3.29Å; I136-W138 PolarHBondContact O-N 2.91Å; W138-N140 VanDerWaalsContact CZ3-OD1 3.3Å; W138-N140 WeakPolarHBondContact CZ3-OD1 3.41Å; W138-E164 HydrophobicContact CH2-CB 4.11Å; W138-E164 HydrophobicContact CZ3-CB 4.01Å; W138-E164 WeakPolarHBondContact CZ3-O 3.1Å; W138-G165 VanDerWaalsContact CZ3-CA 3.44Å; W138-G165 CarbonylContact O-C 3.57Å; W138-G165 VanDerWaalsContact O-CA 3.28Å; W138-G165 WeakPolarHBondContact O-CA 3.47Å; W138-Y166 PolarHBondContact O-N 2.95Å; W138-N212 PolarHBondContact O-ND2 3.49Å; W138-A214 VanDerWaalsContact CA-CB 3.48Å; W138-A214 WeakPolarHBondContact O-CB 3.46Å
139	I	95.7	Very high	93.4	Very high	26 Å²	26	45.9 Å²	45.9	13%	0.133	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-145.7	133.8	167.5	-168	170	0	0	0	106.8	N212 A214 I217	I139-N212 HydrophobicContact CD1-CB 4.48Å; I139-A214 HydrophobicContact CB-CB 4.2Å; I139-A214 HydrophobicContact CG2-CB 4.12Å; I139-I217 HydrophobicContact CD1-CD1 4.05Å; I139-I217 HydrophobicContact CD1-CG1 3.85Å; I139-I217 HydrophobicContact CD1-CG2 4.19Å; I139-I217 HydrophobicContact CG1-CD1 4.03Å; I139-I217 HydrophobicContact CG1-CG1 4.33Å; I139-I217 HydrophobicContact CG1-CG2 4.29Å; I139-I217 HydrophobicContact CG2-CG2 3.93Å
140	N	91.9	Very high	92.5	Very high	44 Å²	44	49.2 Å²	49.2	24%	0.235	27%	0.272	C	S	.	.			trans	-62.3	156.6	177.9	-78.3	-8.8	0	0	0	110.2	R107 W138 N142 E164 I217	R107-N140 PolarHBondContact NH2-OD1 3.2Å; W138-N140 VanDerWaalsContact CZ3-OD1 3.3Å; W138-N140 WeakPolarHBondContact CZ3-OD1 3.41Å; N140-N142 VanDerWaalsContact C-N 3.32Å; N140-N142 PolarHBondContact O-N 3.01Å; N140-E164 PolarHBondContact N-O 3.15Å; N140-E164 WeakPolarHBondContact ND2-CB 3.41Å; N140-E164 PolarHBondContact ND2-OE2 3.37Å; N140-I217 WeakPolarHBondContact O-CD1 3.43Å; N140-I217 WeakPolarHBondContact O-CG2 3.05Å
141	E	86.9	Confident	91.4	Very high	170 Å²	170	43.9 Å²	43.9	79%	0.794	25%	0.247	S	C	*	.	S	Bend	trans	-65.7	-34	-170	-62.3	179.4	172.8	0	0	113.3
142	N	87	Confident	90.1	Very high	92 Å²	92	45.6 Å²	45.6	49%	0.492	25%	0.25	S	S	.	.			trans	-129.9	136.7	-167.6	-62.8	11.6	0	0	0	111.6	N140 A220	N140-N142 VanDerWaalsContact C-N 3.32Å; N140-N142 PolarHBondContact O-N 3.01Å; N142-A220 HydrophobicContact CB-CB 3.77Å; N142-A220 WeakPolarHBondContact ND2-CB 3.21Å
143	A	91.2	Very high	88.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	152.8	163.7	0	0	0	0	0	111	D162 A163 I217 R218 S219 A220	A143-D162 CarbonylContact C-O 3.6Å; A143-D162 VanDerWaalsContact CA-O 3.24Å; A143-D162 WeakPolarHBondContact CA-O 3.07Å; A143-A163 HydrophobicContact CB-CB 4.07Å; A143-I217 HydrophobicContact CB-CD1 4.12Å; A143-R218 PolarHBondContact N-O 3.24Å; A143-S219 CarbonylContact O-C 3.53Å; A143-S219 WeakPolarHBondContact O-CA 3.02Å; A143-A220 PolarHBondContact O-N 3.02Å
144	V	92.6	Very high	87.5	Confident	64 Å²	64	56.6 Å²	56.6	39%	0.388	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125.9	177.5	-176.4	0	0	0	0	109.9	T146 C161 D162 A221	V144-T146 HydrophobicContact CG1-CG2 4.02Å; V144-C161 CarbonylContact O-C 3.57Å; V144-C161 WeakPolarHBondContact O-CA 3.25Å; V144-D162 PolarHBondContact N-O 3.35Å; V144-D162 PolarHBondContact O-N 2.8Å; V144-A221 HydrophobicContact CG1-CB 4.44Å
145	V	95.5	Very high	86.8	Confident	11 Å²	11	57.8 Å²	57.8	7%	0.067	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.7	173.4	-174.8	0	0	0	0	109.8	L159 R160 W173 C208 A221 F223	V145-L159 HydrophobicContact CG1-CB 4.19Å; V145-L159 HydrophobicContact CG1-CD1 4.01Å; V145-L159 HydrophobicContact CG1-CD2 4.48Å; V145-L159 HydrophobicContact CG1-CG 4.47Å; V145-R160 CarbonylContact C-O 3.53Å; V145-R160 WeakPolarHBondContact CA-O 3.19Å; V145-W173 HydrophobicContact CG1-CH2 4.03Å; V145-W173 HydrophobicContact CG1-CZ3 3.72Å; V145-W173 HydrophobicContact CG2-CZ3 4.14Å; V145-C208 HydrophobicContact CG2-CB 4.24Å; V145-C208 VanDerWaalsContact CG2-SG 3.51Å; V145-A221 PolarHBondContact N-O 3.12Å; V145-F223 HydrophobicContact CB-CB 4.31Å; V145-F223 HydrophobicContact CG1-CB 3.65Å
146	T	94.7	Very high	86.6	Confident	54 Å²	54	58.6 Å²	58.6	33%	0.331	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.5	176.1	57.1	0	0	0	0	111	V144 L159 R160	V144-T146 HydrophobicContact CG1-CG2 4.02Å; T146-L159 CarbonylContact O-C 3.49Å; T146-L159 WeakPolarHBondContact O-CA 3.39Å; T146-R160 PolarHBondContact N-O 3.08Å; T146-R160 PolarHBondContact O-N 2.83Å
147	A	92.5	Very high	86.4	Confident	41 Å²	41	58.1 Å²	58.1	34%	0.339	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.9	172	0	0	0	0	0	110.5	L150 L159 F223	A147-L150 HydrophobicContact CB-CD2 4.12Å; A147-L159 HydrophobicContact CB-CD2 3.97Å; A147-F223 HydrophobicContact CB-CD2 3.98Å; A147-F223 HydrophobicContact CB-CE2 3.47Å; A147-F223 VanDerWaalsContact CB-CE2 3.47Å; A147-F223 HydrophobicContact CB-CZ 3.91Å
148	L	88.5	Confident	86.4	Confident	76 Å²	76	58.2 Å²	58.2	40%	0.398	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-34.3	172.1	-63.1	-178.5	0	0	0	111.6	Q158 R160 R192	L148-Q158 HydrophobicContact CB-CB 3.93Å; L148-Q158 PolarHBondContact N-O 2.87Å; L148-R160 HydrophobicContact CD1-CB 4.03Å; L148-R160 HydrophobicContact CD2-CB 3.95Å; L148-R160 HydrophobicContact CG-CB 3.86Å; L148-R192 HydrophobicContact CD1-CG 4.04Å
149	S	84	Confident	86.4	Confident	14 Å²	14	55.7 Å²	55.7	10%	0.098	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	142.9	172.8	65.3	0	0	0	0	110.5	Q158	S149-Q158 PolarHBondContact N-O 2.64Å; S149-Q158 PolarHBondContact O-N 3.1Å; S149-Q158 WeakPolarHBondContact OG-CB 3.05Å; S149-Q158 WeakPolarHBondContact OG-CG 3.4Å
150	L	78.9	Confident	86.4	Confident	74 Å²	74	57.8 Å²	57.8	39%	0.387	30%	0.299	S	S	.	.			trans	-91.6	146	175.6	-65.8	177.6	0	0	0	111.3	A147 E152 I153 F223	A147-L150 HydrophobicContact CB-CD2 4.12Å; L150-E152 VanDerWaalsContact C-N 3.27Å; L150-E152 VanDerWaalsContact CB-OE2 3.29Å; L150-E152 WeakPolarHBondContact CB-OE2 3.39Å; L150-E152 PolarHBondContact O-N 2.89Å; L150-I153 PolarHBondContact O-N 3.29Å; L150-I153 VanDerWaalsContact O-N 3.14Å; L150-F223 HydrophobicContact CD2-CE2 4.29Å; L150-F223 HydrophobicContact CD2-CZ 3.75Å
151	P	74.4	Confident	86.6	Confident	8 Å²	8	55.7 Å²	55.7	5%	0.052	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-27.7	-176.8	23.2	-34.1	0	0	0	114.7	I153 R154 G155 E156 I198 L225 L227	P151-I153 PolarHBondContact O-N 3.47Å; P151-R154 PolarHBondContact O-N 3.16Å; P151-G155 PolarHBondContact O-N 2.98Å; P151-E156 WeakPolarHBondContact CA-O 3.45Å; P151-I198 HydrophobicContact CB-CB 4.35Å; P151-I198 HydrophobicContact CB-CD1 4.13Å; P151-I198 HydrophobicContact CB-CG2 3.31Å; P151-I198 HydrophobicContact CG-CD1 4.18Å; P151-I198 HydrophobicContact CG-CG2 4.2Å; P151-L225 HydrophobicContact CG-CD1 3.85Å; P151-L227 HydrophobicContact CB-CD2 4.24Å; P151-L227 HydrophobicContact CG-CD2 3.62Å; P151-L227 HydrophobicContact CG-CG 4.5Å
152	E	69.1	Low	87	Confident	93 Å²	93	50 Å²	50	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-18.3	176.5	-61.2	80.6	-173.2	0	0	112.5	L150	L150-E152 VanDerWaalsContact C-N 3.27Å; L150-E152 VanDerWaalsContact CB-OE2 3.29Å; L150-E152 WeakPolarHBondContact CB-OE2 3.39Å; L150-E152 PolarHBondContact O-N 2.89Å
153	I	64.9	Low	87.4	Confident	133 Å²	133	46 Å²	46	68%	0.682	24%	0.243	S	C	*	.	H	α-helix	trans	-98.1	-39.4	-177.9	-54.8	174.8	0	0	0	111.5	L150 P151	L150-I153 PolarHBondContact O-N 3.29Å; L150-I153 VanDerWaalsContact O-N 3.14Å; P151-I153 PolarHBondContact O-N 3.47Å
154	R	70.6	Confident	87.5	Confident	165 Å²	165	51.9 Å²	51.9	62%	0.623	27%	0.271	S	S	*	.	H	α-helix	trans	-124.3	-7.7	-166.5	-63.9	-169.3	173.8	-138.8	-1.8	115.9	P151 E156	P151-R154 PolarHBondContact O-N 3.16Å; R154-E156 HydrophobicContact CB-CG 3.81Å; R154-E156 PolarHBondContact O-N 3.21Å
155	G	82.1	Confident	87.6	Confident	37 Å²	37	49.7 Å²	49.7	38%	0.381	26%	0.261	S	S	.	.	S	Bend	trans	69.4	5.1	-170.4	0	0	0	0	0	114.1	P151 A197 I198	P151-G155 PolarHBondContact O-N 2.98Å; G155-A197 PolarHBondContact O-N 2.88Å; G155-I198 PolarHBondContact O-N 2.85Å
156	E	89.6	Confident	87.5	Confident	37 Å²	37	54 Å²	54	17%	0.173	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.7	175.3	62.6	174.7	-160.6	0	0	110.5	P151 R154 Q158 V195 H196	P151-E156 WeakPolarHBondContact CA-O 3.45Å; R154-E156 HydrophobicContact CB-CG 3.81Å; R154-E156 PolarHBondContact O-N 3.21Å; E156-Q158 PolarHBondContact OE1-NE2 2.97Å; E156-V195 VanDerWaalsContact CA-O 3.28Å; E156-V195 WeakPolarHBondContact CA-O 3.28Å; E156-V195 WeakPolarHBondContact CB-O 3.37Å; E156-H196 IonicContact OE2-CE1 2.85Å; E156-H196 PolarHBondContact OE2-CE1 3.42Å; E156-H196 IonicContact OE2-ND1 3.89Å; E156-H196 PolarHBondContact OE2-ND1 3.48Å
157	L	92.7	Very high	87.5	Confident	1 Å²	1	55 Å²	55	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.3	171.7	172.6	69.7	0	0	0	108.9	L159 T194 V195 I198 Y206 F223 L225	L157-L159 HydrophobicContact CD1-CD2 3.76Å; L157-L159 HydrophobicContact CD1-CG 4.23Å; L157-L159 HydrophobicContact CD2-CD1 4.17Å; L157-L159 HydrophobicContact CD2-CD2 4.39Å; L157-L159 HydrophobicContact CD2-CG 4.14Å; L157-L159 HydrophobicContact CG-CD2 4.11Å; L157-L159 HydrophobicContact CG-CG 4Å; L157-T194 WeakPolarHBondContact O-CA 3.42Å; L157-V195 HydrophobicContact CB-CB 4.38Å; L157-V195 PolarHBondContact N-O 3.03Å; L157-V195 PolarHBondContact O-N 3.06Å; L157-I198 HydrophobicContact CB-CD1 3.46Å; L157-I198 VanDerWaalsContact CB-CD1 3.46Å; L157-I198 HydrophobicContact CD2-CD1 4.05Å; L157-I198 HydrophobicContact CG-CD1 4.35Å; L157-Y206 HydrophobicContact CD2-CD2 4.32Å; L157-Y206 HydrophobicContact CD2-CE2 3.91Å; L157-F223 HydrophobicContact CD1-CE1 3.79Å; L157-F223 HydrophobicContact CD1-CZ 4.24Å; L157-F223 HydrophobicContact CD2-CE1 4.36Å; L157-L225 HydrophobicContact CD2-CD1 4.41Å; L157-L225 HydrophobicContact CD2-CD2 4.19Å
158	Q	95.1	Very high	87.5	Confident	29 Å²	29	58.7 Å²	58.7	14%	0.136	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120	171.6	-64.1	-170	7	0	0	109.4	L148 S149 E156 L193 T194	L148-Q158 HydrophobicContact CB-CB 3.93Å; L148-Q158 PolarHBondContact N-O 2.87Å; S149-Q158 PolarHBondContact N-O 2.64Å; S149-Q158 PolarHBondContact O-N 3.1Å; S149-Q158 WeakPolarHBondContact OG-CB 3.05Å; S149-Q158 WeakPolarHBondContact OG-CG 3.4Å; E156-Q158 PolarHBondContact OE1-NE2 2.97Å; Q158-L193 CarbonylContact C-O 3.56Å; Q158-L193 WeakPolarHBondContact CA-O 3.45Å; Q158-T194 HydrophobicContact CG-CG2 4.17Å
159	L	96.6	Very high	87.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	151.6	174.8	-59.1	-176.7	0	0	0	110.4	V145 T146 A147 L157 W173 R192 L193 Y206 F223	V145-L159 HydrophobicContact CG1-CB 4.19Å; V145-L159 HydrophobicContact CG1-CD1 4.01Å; V145-L159 HydrophobicContact CG1-CD2 4.48Å; V145-L159 HydrophobicContact CG1-CG 4.47Å; T146-L159 CarbonylContact O-C 3.49Å; T146-L159 WeakPolarHBondContact O-CA 3.39Å; A147-L159 HydrophobicContact CB-CD2 3.97Å; L157-L159 HydrophobicContact CD1-CD2 3.76Å; L157-L159 HydrophobicContact CD1-CG 4.23Å; L157-L159 HydrophobicContact CD2-CD1 4.17Å; L157-L159 HydrophobicContact CD2-CD2 4.39Å; L157-L159 HydrophobicContact CD2-CG 4.14Å; L157-L159 HydrophobicContact CG-CD2 4.11Å; L157-L159 HydrophobicContact CG-CG 4Å; L159-W173 HydrophobicContact CB-CH2 3.62Å; L159-W173 HydrophobicContact CB-CZ2 4.5Å; L159-W173 HydrophobicContact CB-CZ3 3.82Å; L159-W173 HydrophobicContact CD1-CZ3 4.04Å; L159-R192 CarbonylContact O-C 3.51Å; L159-R192 WeakPolarHBondContact O-CA 3.12Å; L159-L193 HydrophobicContact CB-CB 4.32Å; L159-L193 HydrophobicContact CD1-CD2 4.23Å; L159-L193 PolarHBondContact N-O 3.37Å; L159-L193 PolarHBondContact O-N 2.83Å; L159-Y206 VanDerWaalsContact CD1-CB 3.43Å; L159-Y206 HydrophobicContact CD1-CD1 4.01Å; L159-Y206 HydrophobicContact CD1-CD2 4.26Å; L159-Y206 HydrophobicContact CD1-CG 3.65Å; L159-F223 HydrophobicContact CD1-CB 4.22Å; L159-F223 HydrophobicContact CD1-CD1 4.04Å; L159-F223 HydrophobicContact CD1-CG 4.37Å; L159-F223 HydrophobicContact CD2-CB 4.15Å; L159-F223 HydrophobicContact CD2-CD1 3.58Å; L159-F223 HydrophobicContact CD2-CD2 4.17Å; L159-F223 HydrophobicContact CD2-CE1 3.96Å; L159-F223 HydrophobicContact CD2-CG 3.67Å; L159-F223 HydrophobicContact CD2-CZ 4.41Å; L159-F223 HydrophobicContact CG-CD1 4.44Å
160	R	96.3	Very high	88.5	Confident	71 Å²	71	59.3 Å²	59.3	27%	0.268	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132	173.1	176.6	176.1	167	128	-1.6	109.3	V145 T146 L148 D162 R191	V145-R160 CarbonylContact C-O 3.53Å; V145-R160 WeakPolarHBondContact CA-O 3.19Å; T146-R160 PolarHBondContact N-O 3.08Å; T146-R160 PolarHBondContact O-N 2.83Å; L148-R160 HydrophobicContact CD1-CB 4.03Å; L148-R160 HydrophobicContact CD2-CB 3.95Å; L148-R160 HydrophobicContact CG-CB 3.86Å; R160-D162 IonicContact CZ-OD1 2.83Å; R160-D162 IonicContact CZ-OD2 2.93Å; R160-D162 VanDerWaalsContact NE-CG 3.27Å; R160-D162 IonicContact NE-OD1 3.69Å; R160-D162 PolarHBondContact NE-OD1 2.79Å; R160-D162 IonicContact NE-OD2 2.75Å; R160-D162 PolarHBondContact NE-OD2 2.84Å; R160-D162 IonicContact NH2-OD1 3.05Å; R160-D162 PolarHBondContact NH2-OD1 2.05Å; R160-R191 CarbonylContact C-O 3.59Å; R160-R191 VanDerWaalsContact CA-O 3.31Å; R160-R191 WeakPolarHBondContact CA-O 3.39Å; R160-R191 HydrophobicContact CG-CG 4.34Å; R160-R191 VanDerWaalsContact NH2-CZ 3.32Å
161	C	96.2	Very high	89.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109.6	173.5	177.7	0	0	0	0	108.6	V144 Y171 W173 R191 C208	V144-C161 CarbonylContact O-C 3.57Å; V144-C161 WeakPolarHBondContact O-CA 3.25Å; C161-Y171 HydrophobicContact CB-CD1 3.78Å; C161-Y171 HydrophobicContact CB-CE1 4Å; C161-Y171 WeakPolarHBondContact O-CE1 3.47Å; C161-Y171 VanDerWaalsContact SG-CD1 3.55Å; C161-W173 HydrophobicContact CB-CH2 3.65Å; C161-W173 HydrophobicContact CB-CZ2 3.54Å; C161-W173 HydrophobicContact CB-CZ3 4.48Å; C161-R191 PolarHBondContact N-O 2.91Å; C161-R191 WeakPolarHBondContact O-CB 3.25Å; C161-C208 HydrophobicContact CB-CB 3.58Å; C161-C208 WeakPolarHBondContact CB-SG 3.48Å; C161-C208 WeakPolarHBondContact SG-CB 3.47Å; C161-C208 CovalentContact SG-SG 2.02Å; C161-C208 PolarHBondContact SG-SG 2.94Å
162	D	94	Very high	90.3	Very high	49 Å²	49	58.4 Å²	58.4	26%	0.262	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	115.8	176.3	-74.9	-56.5	0	0	0	109.9	A143 V144 R160 R191	A143-D162 CarbonylContact C-O 3.6Å; A143-D162 VanDerWaalsContact CA-O 3.24Å; A143-D162 WeakPolarHBondContact CA-O 3.07Å; V144-D162 PolarHBondContact N-O 3.35Å; V144-D162 PolarHBondContact O-N 2.8Å; R160-D162 IonicContact CZ-OD1 2.83Å; R160-D162 IonicContact CZ-OD2 2.93Å; R160-D162 VanDerWaalsContact NE-CG 3.27Å; R160-D162 IonicContact NE-OD1 3.69Å; R160-D162 PolarHBondContact NE-OD1 2.79Å; R160-D162 IonicContact NE-OD2 2.75Å; R160-D162 PolarHBondContact NE-OD2 2.84Å; R160-D162 IonicContact NH2-OD1 3.05Å; R160-D162 PolarHBondContact NH2-OD1 2.05Å; D162-R191 IonicContact OD1-NH1 2.6Å
163	A	95.2	Very high	91.7	Very high	10 Å²	10	54 Å²	54	8%	0.083	27%	0.266	C	S	.	.			trans	-134	142.4	169.6	0	0	0	0	0	108.4	A143 P169 Y171 A210 I217	A143-A163 HydrophobicContact CB-CB 4.07Å; A163-P169 HydrophobicContact CB-CG 4.26Å; A163-Y171 HydrophobicContact CB-CE1 3.99Å; A163-Y171 PolarHBondContact O-OH 3.26Å; A163-A210 HydrophobicContact CB-CB 3.37Å; A163-I217 HydrophobicContact CB-CD1 4Å
164	E	93	Very high	93.2	Very high	123 Å²	123	48.6 Å²	48.6	58%	0.575	24%	0.238	S	C	*	.			trans	-118.8	141.8	179.2	-63.7	178	176.5	0	0	109.7	W138 N140	W138-E164 HydrophobicContact CH2-CB 4.11Å; W138-E164 HydrophobicContact CZ3-CB 4.01Å; W138-E164 WeakPolarHBondContact CZ3-O 3.1Å; N140-E164 PolarHBondContact N-O 3.15Å; N140-E164 WeakPolarHBondContact ND2-CB 3.41Å; N140-E164 PolarHBondContact ND2-OE2 3.37Å
165	G	94.9	Very high	94.5	Very high	18 Å²	18	42.4 Å²	42.4	19%	0.186	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-162	177	-178.9	0	0	0	0	0	111.9	W138 N212	W138-G165 VanDerWaalsContact CZ3-CA 3.44Å; W138-G165 CarbonylContact O-C 3.57Å; W138-G165 VanDerWaalsContact O-CA 3.28Å; W138-G165 WeakPolarHBondContact O-CA 3.47Å; G165-N212 WeakPolarHBondContact CA-ND2 3.46Å
166	Y	94.5	Very high	95.1	Very high	102 Å²	102	44.6 Å²	44.6	40%	0.4	22%	0.219	S	C	.	.	S	Bend	trans	-58.3	-50.8	176.2	175.1	-96	0	0	0	111.6	I136 L137 W138	I136-Y166 VanDerWaalsContact O-CD2 3.31Å; I136-Y166 WeakPolarHBondContact O-CD2 3.23Å; L137-Y166 HydrophobicContact CD2-CD1 3.48Å; L137-Y166 VanDerWaalsContact CD2-CD1 3.48Å; L137-Y166 HydrophobicContact CD2-CE1 3.71Å; L137-Y166 HydrophobicContact CD2-CG 4.08Å; W138-Y166 PolarHBondContact O-N 2.95Å
167	D	94.1	Very high	95.4	Very high	74 Å²	74	45.2 Å²	45.2	40%	0.396	24%	0.235	S	C	.	.	S	Bend	trans	-109.2	157	170.5	-57.3	-50.4	0	0	0	110.7	P169 S213	D167-P169 VanDerWaalsContact O-CD 3.32Å; D167-P169 WeakPolarHBondContact O-CD 3.3Å; D167-S213 WeakPolarHBondContact OD2-CB 3.38Å; D167-S213 PolarHBondContact OD2-OG 3.5Å
168	E	93.4	Very high	95.6	Very high	119 Å²	119	52.1 Å²	52.1	56%	0.556	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-56.6	121.2	176	179.3	67.8	-164.4	0	0	110.5
169	P	96.5	Very high	95.7	Very high	7 Å²	7	58.1 Å²	58.1	5%	0.045	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-69.4	151	-178.6	-21.2	33.3	0	0	0	113.7	A163 D167 Y171 A210 E211	A163-P169 HydrophobicContact CB-CG 4.26Å; D167-P169 VanDerWaalsContact O-CD 3.32Å; D167-P169 WeakPolarHBondContact O-CD 3.3Å; P169-Y171 HydrophobicContact CB-CE2 4.2Å; P169-Y171 WeakPolarHBondContact O-CD2 3.4Å; P169-Y171 WeakPolarHBondContact O-CE2 3.37Å; P169-A210 HydrophobicContact CB-CB 3.85Å; P169-A210 HydrophobicContact CG-CB 4.48Å; P169-E211 CarbonylContact C-O 3.6Å; P169-E211 VanDerWaalsContact CA-O 3.26Å; P169-E211 WeakPolarHBondContact CA-O 3.33Å
170	V	95.9	Very high	95.7	Very high	95 Å²	95	59.5 Å²	59.5	58%	0.576	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	126.1	165.4	179.3	0	0	0	0	109	E211	V170-E211 PolarHBondContact N-O 3.05Å; V170-E211 PolarHBondContact O-N 3.05Å
171	Y	96.5	Very high	95.7	Very high	9 Å²	9	66.1 Å²	66.1	4%	0.035	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	136.9	-175.2	-61.5	-91.4	0	0	0	112.6	C161 A163 P169 R191 E209 A210	C161-Y171 HydrophobicContact CB-CD1 3.78Å; C161-Y171 HydrophobicContact CB-CE1 4Å; C161-Y171 WeakPolarHBondContact O-CE1 3.47Å; C161-Y171 VanDerWaalsContact SG-CD1 3.55Å; A163-Y171 HydrophobicContact CB-CE1 3.99Å; A163-Y171 PolarHBondContact O-OH 3.26Å; P169-Y171 HydrophobicContact CB-CE2 4.2Å; P169-Y171 WeakPolarHBondContact O-CD2 3.4Å; P169-Y171 WeakPolarHBondContact O-CE2 3.37Å; Y171-R191 HydrophobicContact CD1-CB 4.37Å; Y171-R191 HydrophobicContact CD2-CB 4.08Å; Y171-R191 HydrophobicContact CE1-CB 4Å; Y171-R191 HydrophobicContact CE2-CB 3.7Å; Y171-R191 HydrophobicContact CG-CB 4.4Å; Y171-E209 CarbonylContact C-O 3.55Å; Y171-E209 VanDerWaalsContact CA-O 3.32Å; Y171-E209 WeakPolarHBondContact CA-O 3.39Å; Y171-A210 HydrophobicContact CD1-CB 4.06Å; Y171-A210 HydrophobicContact CE1-CB 3.91Å
172	R	96.1	Very high	95.7	Very high	55 Å²	55	73.8 Å²	73.8	21%	0.208	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.3	168.7	-57.3	172.6	-170.5	125.3	7.7	108.9	F174 C208 E209 E211	R172-F174 HydrophobicContact CB-CE2 3.91Å; R172-C208 CarbonylContact O-C 3.49Å; R172-C208 VanDerWaalsContact O-CA 3.23Å; R172-C208 WeakPolarHBondContact O-CA 3.28Å; R172-E209 HydrophobicContact CB-CB 4.3Å; R172-E209 PolarHBondContact N-O 3.47Å; R172-E209 IonicContact NH1-OE2 3.93Å; R172-E209 PolarHBondContact O-N 3.39Å; R172-E211 IonicContact CZ-OE2 3.4Å; R172-E211 IonicContact NH1-OE2 3.58Å; R172-E211 PolarHBondContact NH1-OE2 3.16Å; R172-E211 IonicContact NH2-OE2 3.34Å; R172-E211 PolarHBondContact NH2-OE2 3.36Å
173	W	97.5	Very high	95.7	Very high	1 Å²	1	75 Å²	75	0%	0.004	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.4	-176.8	-70.8	92.7	0	0	0	111.2	V145 L159 C161 L180 W188 R191 L193 C208	V145-W173 HydrophobicContact CG1-CH2 4.03Å; V145-W173 HydrophobicContact CG1-CZ3 3.72Å; V145-W173 HydrophobicContact CG2-CZ3 4.14Å; L159-W173 HydrophobicContact CB-CH2 3.62Å; L159-W173 HydrophobicContact CB-CZ2 4.5Å; L159-W173 HydrophobicContact CB-CZ3 3.82Å; L159-W173 HydrophobicContact CD1-CZ3 4.04Å; C161-W173 HydrophobicContact CB-CH2 3.65Å; C161-W173 HydrophobicContact CB-CZ2 3.54Å; C161-W173 HydrophobicContact CB-CZ3 4.48Å; W173-L180 HydrophobicContact CB-CB 4.37Å; W173-L180 HydrophobicContact CB-CD1 3.98Å; W173-L180 PolarHBondContact O-N 3.19Å; W173-W188 AromaticContact CD1-CG 3.91Å; W173-R191 WeakPolarHBondContact CZ2-O 3.19Å; W173-L193 HydrophobicContact CB-CD1 4.25Å; W173-L193 HydrophobicContact CB-CD2 4.25Å; W173-L193 HydrophobicContact CD2-CB 3.64Å; W173-L193 HydrophobicContact CD2-CD1 4.45Å; W173-L193 HydrophobicContact CD2-CD2 3.79Å; W173-L193 HydrophobicContact CD2-CG 4.17Å; W173-L193 VanDerWaalsContact CE2-CB 3.42Å; W173-L193 HydrophobicContact CE3-CB 4.1Å; W173-L193 HydrophobicContact CE3-CD2 3.68Å; W173-L193 HydrophobicContact CE3-CG 4.47Å; W173-L193 HydrophobicContact CG-CB 4.03Å; W173-L193 HydrophobicContact CG-CD1 4.04Å; W173-L193 HydrophobicContact CG-CD2 4.06Å; W173-L193 HydrophobicContact CG-CG 4.28Å; W173-L193 HydrophobicContact CH2-CB 4.11Å; W173-L193 HydrophobicContact CZ2-CB 3.67Å; W173-L193 HydrophobicContact CZ3-CB 4.31Å; W173-L193 HydrophobicContact CZ3-CD2 4.21Å; W173-C208 HydrophobicContact CD2-CB 4.2Å; W173-C208 HydrophobicContact CE3-CB 4.01Å; W173-C208 HydrophobicContact CH2-CB 4.45Å; W173-C208 HydrophobicContact CZ3-CB 4.14Å
174	F	97.3	Very high	95.7	Very high	19 Å²	19	82.3 Å²	82.3	8%	0.083	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.1	-176.9	-64.1	-103.8	0	0	0	109.8	R172 H178 R179 Y206 S207 E209	R172-F174 HydrophobicContact CB-CE2 3.91Å; F174-H178 CarbonylContact C-O 3.54Å; F174-H178 WeakPolarHBondContact CA-O 3.24Å; F174-R179 HydrophobicContact CD1-CB 4Å; F174-R179 HydrophobicContact CE1-CB 3.75Å; F174-R179 HydrophobicContact CE1-CG 4.25Å; F174-R179 HydrophobicContact CZ-CB 4.37Å; F174-R179 HydrophobicContact CZ-CG 4.39Å; F174-Y206 WeakPolarHBondContact O-CA 3.25Å; F174-S207 WeakPolarHBondContact CB-OG 3.27Å; F174-S207 PolarHBondContact N-O 3.41Å; F174-S207 PolarHBondContact O-N 3.08Å; F174-E209 HydrophobicContact CD2-CG 4.23Å; F174-E209 HydrophobicContact CE2-CB 3.95Å; F174-E209 VanDerWaalsContact CE2-CD 3.41Å; F174-E209 HydrophobicContact CE2-CG 3.44Å; F174-E209 VanDerWaalsContact CE2-CG 3.44Å; F174-E209 WeakPolarHBondContact CE2-OE2 3.48Å; F174-E209 HydrophobicContact CZ-CG 4Å; F174-E209 WeakPolarHBondContact CZ-OE2 3.25Å
175	H	96.7	Very high	95.7	Very high	35 Å²	35	80.9 Å²	80.9	16%	0.162	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.4	173.9	174.3	-121.3	0	0	0	108.4	G177 H178 L180 D202 N203 V205 Y206	H175-G177 PolarHBondContact O-N 3.17Å; H175-G177 VanDerWaalsContact O-N 3.15Å; H175-H178 PolarHBondContact N-O 3.42Å; H175-H178 WeakPolarHBondContact O-CB 3.43Å; H175-H178 PolarHBondContact O-N 2.92Å; H175-L180 HydrophobicContact CB-CD1 4.32Å; H175-L180 HydrophobicContact CB-CD2 3.65Å; H175-L180 HydrophobicContact CB-CG 4.03Å; H175-D202 PolarHBondContact NE2-O 3.38Å; H175-N203 PolarHBondContact NE2-O 3.15Å; H175-V205 WeakPolarHBondContact CA-O 3.5Å; H175-Y206 HydrophobicContact CB-CD1 4.39Å; H175-Y206 HydrophobicContact CB-CE1 4.18Å; H175-Y206 AromaticContact CD2-CE1 3.91Å; H175-Y206 AromaticContact CD2-CE2 3.73Å; H175-Y206 AromaticContact CD2-CZ 3.59Å
176	N	95.8	Very high	95.8	Very high	82 Å²	82	80.8 Å²	80.8	44%	0.439	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	38.4	-175.1	-62.8	-32.5	0	0	0	113	H178 G204 V205	N176-H178 PolarHBondContact O-N 3.31Å; N176-G204 VanDerWaalsContact OD1-CA 3.24Å; N176-G204 WeakPolarHBondContact OD1-CA 3.43Å; N176-V205 PolarHBondContact N-O 3.44Å; N176-V205 PolarHBondContact OD1-N 3.45Å
177	G	95	Very high	95.9	Very high	50 Å²	50	78.4 Å²	78.4	52%	0.515	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-8.7	-178	0	0	0	0	0	115.2	H175	H175-G177 PolarHBondContact O-N 3.17Å; H175-G177 VanDerWaalsContact O-N 3.15Å
178	H	97.1	Very high	95.9	Very high	147 Å²	147	76.7 Å²	76.7	68%	0.681	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.5	177.3	-62.4	-67.4	0	0	0	111.8	F174 H175 N176 L180	F174-H178 CarbonylContact C-O 3.54Å; F174-H178 WeakPolarHBondContact CA-O 3.24Å; H175-H178 PolarHBondContact N-O 3.42Å; H175-H178 WeakPolarHBondContact O-CB 3.43Å; H175-H178 PolarHBondContact O-N 2.92Å; N176-H178 PolarHBondContact O-N 3.31Å; H178-L180 PolarHBondContact O-N 3.02Å
179	R	96.7	Very high	96	Very high	154 Å²	154	81.6 Å²	81.6	58%	0.581	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	123.2	179.7	-175	171	178.1	167.6	-2.1	110.7	F174	F174-R179 HydrophobicContact CD1-CB 4Å; F174-R179 HydrophobicContact CE1-CB 3.75Å; F174-R179 HydrophobicContact CE1-CG 4.25Å; F174-R179 HydrophobicContact CZ-CB 4.37Å; F174-R179 HydrophobicContact CZ-CG 4.39Å
180	L	96.6	Very high	95.8	Very high	30 Å²	30	83.5 Å²	83.5	16%	0.157	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-69.7	143.6	173.7	-69.5	178.2	0	0	0	110.5	W173 H175 H178 V186 L193 Y206	W173-L180 HydrophobicContact CB-CB 4.37Å; W173-L180 HydrophobicContact CB-CD1 3.98Å; W173-L180 PolarHBondContact O-N 3.19Å; H175-L180 HydrophobicContact CB-CD1 4.32Å; H175-L180 HydrophobicContact CB-CD2 3.65Å; H175-L180 HydrophobicContact CB-CG 4.03Å; H178-L180 PolarHBondContact O-N 3.02Å; L180-V186 HydrophobicContact CB-CG1 4.45Å; L180-V186 HydrophobicContact CD1-CG1 4.26Å; L180-L193 HydrophobicContact CD1-CD1 4.28Å; L180-L193 HydrophobicContact CD1-CD2 4.01Å; L180-Y206 HydrophobicContact CD1-CD1 4.24Å; L180-Y206 HydrophobicContact CD1-CE1 4.08Å
181	R	95.7	Very high	95.8	Very high	210 Å²	210	83.1 Å²	83.1	79%	0.792	39%	0.388	S	S	*	.			trans	-110.8	148.3	172.9	-61.2	-177.7	78.6	175.5	3.7	108.8	T183	R181-T183 PolarHBondContact O-N 3.11Å
182	R	96.3	Very high	95.8	Very high	161 Å²	161	88.4 Å²	88.4	61%	0.608	41%	0.408	S	S	*	.			trans	-65.5	131.7	173	-69	-172.9	173.1	159.5	-5.8	109.2	V186 W188	R182-V186 VanDerWaalsContact CA-O 3.31Å; R182-V186 WeakPolarHBondContact CA-O 3.35Å; R182-W188 HydrophobicContact CB-CH2 4.37Å; R182-W188 HydrophobicContact CB-CZ3 4.19Å; R182-W188 HydrophobicContact CG-CD2 4.14Å; R182-W188 HydrophobicContact CG-CE3 3.66Å; R182-W188 HydrophobicContact CG-CH2 3.36Å; R182-W188 HydrophobicContact CG-CZ2 3.83Å; R182-W188 HydrophobicContact CG-CZ3 3.26Å; R182-W188 PolarHBondContact NH2-O 3.3Å
183	T	95.8	Very high	95.8	Very high	75 Å²	75	85.8 Å²	85.8	46%	0.46	40%	0.398	S	S	.	.			trans	-140.1	176.5	173.6	64.7	0	0	0	0	108.1	R181 R185 V186	R181-T183 PolarHBondContact O-N 3.11Å; T183-R185 PolarHBondContact O-N 2.86Å; T183-R185 PolarHBondContact OG1-N 2.69Å; T183-V186 PolarHBondContact N-O 2.72Å; T183-V186 CarbonylContact O-C 3.56Å; T183-V186 PolarHBondContact O-N 3.42Å; T183-V186 VanDerWaalsContact O-O 3.08Å; T183-V186 PolarHBondContact OG1-N 2.82Å
184	D	94	Very high	95.7	Very high	163 Å²	163	86.5 Å²	86.5	87%	0.872	40%	0.403	S	S	*	.	S	Bend	trans	-59.7	-27.3	174.3	-58.1	-30.1	0	0	0	112.3
185	R	93.8	Very high	95.6	Very high	92 Å²	92	85.6 Å²	85.6	35%	0.347	40%	0.399	S	S	.	.	S	Bend	trans	-89.6	-33.2	176.9	-77.2	-175.7	48.4	171.6	-15.6	114.2	T183 V195 H196 A197 D202	T183-R185 PolarHBondContact O-N 2.86Å; T183-R185 PolarHBondContact OG1-N 2.69Å; R185-V195 WeakPolarHBondContact O-CA 3.47Å; R185-H196 PolarHBondContact NE-O 2.87Å; R185-H196 PolarHBondContact O-CD2 3.23Å; R185-H196 PolarHBondContact O-N 2.96Å; R185-A197 PolarHBondContact NH1-O 3.22Å; R185-A197 PolarHBondContact NH2-O 3.26Å; R185-A197 VanDerWaalsContact NH2-O 3.14Å; R185-D202 IonicContact NH2-OD1 2.71Å; R185-D202 PolarHBondContact NH2-OD1 2.94Å; R185-D202 IonicContact NH2-OD2 3.71Å; R185-D202 PolarHBondContact NH2-OD2 3.43Å
186	V	96.1	Very high	95.4	Very high	17 Å²	17	87 Å²	87	10%	0.103	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	109	-172	-177.3	0	0	0	0	109.5	L180 R182 T183 L193 V195	L180-V186 HydrophobicContact CB-CG1 4.45Å; L180-V186 HydrophobicContact CD1-CG1 4.26Å; R182-V186 VanDerWaalsContact CA-O 3.31Å; R182-V186 WeakPolarHBondContact CA-O 3.35Å; T183-V186 PolarHBondContact N-O 2.72Å; T183-V186 CarbonylContact O-C 3.56Å; T183-V186 PolarHBondContact O-N 3.42Å; T183-V186 VanDerWaalsContact O-O 3.08Å; T183-V186 PolarHBondContact OG1-N 2.82Å; V186-L193 HydrophobicContact CG1-CD1 3.87Å; V186-V195 HydrophobicContact CG2-CG1 4.34Å; V186-V195 HydrophobicContact CG2-CG2 4.46Å
187	T	96.2	Very high	95.1	Very high	51 Å²	51	86 Å²	86	31%	0.313	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.2	-179	69.2	0	0	0	0	111	T194	T187-T194 PolarHBondContact N-O 2.97Å; T187-T194 PolarHBondContact O-N 3.06Å
188	W	95.9	Very high	94.8	Very high	38 Å²	38	84.8 Å²	84.8	14%	0.144	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	143.5	170.1	65.3	96.3	0	0	0	111.7	W173 R182 R192 L193	W173-W188 AromaticContact CD1-CG 3.91Å; R182-W188 HydrophobicContact CB-CH2 4.37Å; R182-W188 HydrophobicContact CB-CZ3 4.19Å; R182-W188 HydrophobicContact CG-CD2 4.14Å; R182-W188 HydrophobicContact CG-CE3 3.66Å; R182-W188 HydrophobicContact CG-CH2 3.36Å; R182-W188 HydrophobicContact CG-CZ2 3.83Å; R182-W188 HydrophobicContact CG-CZ3 3.26Å; R182-W188 PolarHBondContact NH2-O 3.3Å; W188-R192 CarbonylContact C-O 3.58Å; W188-R192 WeakPolarHBondContact CA-O 3.4Å; W188-R192 WeakPolarHBondContact CB-O 3.34Å; W188-L193 HydrophobicContact CB-CB 4.45Å; W188-L193 HydrophobicContact CB-CD1 4.22Å; W188-L193 HydrophobicContact CE3-CD1 4.24Å
189	R	93.9	Very high	94.3	Very high	222 Å²	222	79.7 Å²	79.7	84%	0.838	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	118.9	176.3	-66.8	-172.8	-178.7	-172.9	0.7	109	R191 R192	R189-R191 PolarHBondContact O-N 2.84Å; R189-R192 PolarHBondContact N-O 2.81Å; R189-R192 PolarHBondContact O-N 3.04Å
190	G	92.8	Very high	93.9	Very high	47 Å²	47	75.8 Å²	75.8	49%	0.485	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	-127.9	-169	0	0	0	0	0	110.5	R192	G190-R192 VanDerWaalsContact C-N 3.32Å; G190-R192 PolarHBondContact O-N 3.43Å
191	R	95.1	Very high	93.6	Very high	88 Å²	88	85.1 Å²	85.1	33%	0.332	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-1.6	177.2	55.7	-174.4	148.1	-162.5	-14.2	117.2	R160 C161 D162 Y171 W173 R189	R160-R191 CarbonylContact C-O 3.59Å; R160-R191 VanDerWaalsContact CA-O 3.31Å; R160-R191 WeakPolarHBondContact CA-O 3.39Å; R160-R191 HydrophobicContact CG-CG 4.34Å; R160-R191 VanDerWaalsContact NH2-CZ 3.32Å; C161-R191 PolarHBondContact N-O 2.91Å; C161-R191 WeakPolarHBondContact O-CB 3.25Å; D162-R191 IonicContact OD1-NH1 2.6Å; Y171-R191 HydrophobicContact CD1-CB 4.37Å; Y171-R191 HydrophobicContact CD2-CB 4.08Å; Y171-R191 HydrophobicContact CE1-CB 4Å; Y171-R191 HydrophobicContact CE2-CB 3.7Å; Y171-R191 HydrophobicContact CG-CB 4.4Å; W173-R191 WeakPolarHBondContact CZ2-O 3.19Å; R189-R191 PolarHBondContact O-N 2.84Å
192	R	96.5	Very high	93.4	Very high	119 Å²	119	76.2 Å²	76.2	45%	0.449	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.7	-176.2	-173.4	-178.5	-59.3	-179.3	2.2	111.5	L148 L159 W188 R189 G190	L148-R192 HydrophobicContact CD1-CG 4.04Å; L159-R192 CarbonylContact O-C 3.51Å; L159-R192 WeakPolarHBondContact O-CA 3.12Å; W188-R192 CarbonylContact C-O 3.58Å; W188-R192 WeakPolarHBondContact CA-O 3.4Å; W188-R192 WeakPolarHBondContact CB-O 3.34Å; R189-R192 PolarHBondContact N-O 2.81Å; R189-R192 PolarHBondContact O-N 3.04Å; G190-R192 VanDerWaalsContact C-N 3.32Å; G190-R192 PolarHBondContact O-N 3.43Å
193	L	96.9	Very high	93.3	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138	166.4	175.4	73.8	0	0	0	109.8	Q158 L159 W173 L180 V186 W188 V195 Y206	Q158-L193 CarbonylContact C-O 3.56Å; Q158-L193 WeakPolarHBondContact CA-O 3.45Å; L159-L193 HydrophobicContact CB-CB 4.32Å; L159-L193 HydrophobicContact CD1-CD2 4.23Å; L159-L193 PolarHBondContact N-O 3.37Å; L159-L193 PolarHBondContact O-N 2.83Å; W173-L193 HydrophobicContact CB-CD1 4.25Å; W173-L193 HydrophobicContact CB-CD2 4.25Å; W173-L193 HydrophobicContact CD2-CB 3.64Å; W173-L193 HydrophobicContact CD2-CD1 4.45Å; W173-L193 HydrophobicContact CD2-CD2 3.79Å; W173-L193 HydrophobicContact CD2-CG 4.17Å; W173-L193 VanDerWaalsContact CE2-CB 3.42Å; W173-L193 HydrophobicContact CE3-CB 4.1Å; W173-L193 HydrophobicContact CE3-CD2 3.68Å; W173-L193 HydrophobicContact CE3-CG 4.47Å; W173-L193 HydrophobicContact CG-CB 4.03Å; W173-L193 HydrophobicContact CG-CD1 4.04Å; W173-L193 HydrophobicContact CG-CD2 4.06Å; W173-L193 HydrophobicContact CG-CG 4.28Å; W173-L193 HydrophobicContact CH2-CB 4.11Å; W173-L193 HydrophobicContact CZ2-CB 3.67Å; W173-L193 HydrophobicContact CZ3-CB 4.31Å; W173-L193 HydrophobicContact CZ3-CD2 4.21Å; L180-L193 HydrophobicContact CD1-CD1 4.28Å; L180-L193 HydrophobicContact CD1-CD2 4.01Å; V186-L193 HydrophobicContact CG1-CD1 3.87Å; W188-L193 HydrophobicContact CB-CB 4.45Å; W188-L193 HydrophobicContact CB-CD1 4.22Å; W188-L193 HydrophobicContact CE3-CD1 4.24Å; L193-V195 HydrophobicContact CD2-CG2 4.23Å; L193-V195 HydrophobicContact CG-CG2 4.23Å; L193-Y206 HydrophobicContact CD2-CD1 3.98Å; L193-Y206 HydrophobicContact CD2-CE1 4.27Å
194	T	95.2	Very high	93.2	Very high	16 Å²	16	67.6 Å²	67.6	10%	0.098	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.4	171.4	-54.5	0	0	0	0	109.4	L157 Q158 T187 H196	L157-T194 WeakPolarHBondContact O-CA 3.42Å; Q158-T194 HydrophobicContact CG-CG2 4.17Å; T187-T194 PolarHBondContact N-O 2.97Å; T187-T194 PolarHBondContact O-N 3.06Å; T194-H196 WeakPolarHBondContact CG2-CE1 3.44Å
195	V	94.9	Very high	93.3	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	107.9	172.6	-177	0	0	0	0	108	E156 L157 R185 V186 L193 Y206	E156-V195 VanDerWaalsContact CA-O 3.28Å; E156-V195 WeakPolarHBondContact CA-O 3.28Å; E156-V195 WeakPolarHBondContact CB-O 3.37Å; L157-V195 HydrophobicContact CB-CB 4.38Å; L157-V195 PolarHBondContact N-O 3.03Å; L157-V195 PolarHBondContact O-N 3.06Å; R185-V195 WeakPolarHBondContact O-CA 3.47Å; V186-V195 HydrophobicContact CG2-CG1 4.34Å; V186-V195 HydrophobicContact CG2-CG2 4.46Å; L193-V195 HydrophobicContact CD2-CG2 4.23Å; L193-V195 HydrophobicContact CG-CG2 4.23Å; V195-Y206 HydrophobicContact CG2-CE1 4.41Å
196	H	92.6	Very high	93.5	Very high	65 Å²	65	58.1 Å²	58.1	30%	0.301	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	154.4	178.3	-55.2	-70.8	0	0	0	111.5	E156 R185 T194 I198	E156-H196 IonicContact OE2-CE1 2.85Å; E156-H196 PolarHBondContact OE2-CE1 3.42Å; E156-H196 IonicContact OE2-ND1 3.89Å; E156-H196 PolarHBondContact OE2-ND1 3.48Å; R185-H196 PolarHBondContact NE-O 2.87Å; R185-H196 PolarHBondContact O-CD2 3.23Å; R185-H196 PolarHBondContact O-N 2.96Å; T194-H196 WeakPolarHBondContact CG2-CE1 3.44Å; H196-I198 PolarHBondContact O-N 3.24Å
197	A	89.1	Confident	93.5	Very high	59 Å²	59	57.7 Å²	57.7	49%	0.488	29%	0.286	S	S	.	.	S	Bend	trans	50.3	58.2	177.6	0	0	0	0	0	111.7	G155 R185	G155-A197 PolarHBondContact O-N 2.88Å; R185-A197 PolarHBondContact NH1-O 3.22Å; R185-A197 PolarHBondContact NH2-O 3.26Å; R185-A197 VanDerWaalsContact NH2-O 3.14Å
198	I	88.7	Confident	93.5	Very high	26 Å²	26	55.3 Å²	55.3	13%	0.133	27%	0.271	C	S	.	.			trans	-68.2	146.6	-173.7	-152	162.2	0	0	0	111.6	P151 G155 L157 H196 D202 L225 L227	P151-I198 HydrophobicContact CB-CB 4.35Å; P151-I198 HydrophobicContact CB-CD1 4.13Å; P151-I198 HydrophobicContact CB-CG2 3.31Å; P151-I198 HydrophobicContact CG-CD1 4.18Å; P151-I198 HydrophobicContact CG-CG2 4.2Å; G155-I198 PolarHBondContact O-N 2.85Å; L157-I198 HydrophobicContact CB-CD1 3.46Å; L157-I198 VanDerWaalsContact CB-CD1 3.46Å; L157-I198 HydrophobicContact CD2-CD1 4.05Å; L157-I198 HydrophobicContact CG-CD1 4.35Å; H196-I198 PolarHBondContact O-N 3.24Å; I198-D202 HydrophobicContact CD1-CB 4.26Å; I198-D202 HydrophobicContact CG1-CB 3.62Å; I198-L225 HydrophobicContact CD1-CD1 4.23Å; I198-L225 HydrophobicContact CD1-CD2 3.37Å; I198-L225 HydrophobicContact CD1-CG 4.44Å; I198-L225 HydrophobicContact CG1-CD2 4.1Å; I198-L227 HydrophobicContact CB-CD1 4.44Å; I198-L227 HydrophobicContact CD1-CD1 4.32Å; I198-L227 HydrophobicContact CG1-CD1 3.96Å; I198-L227 HydrophobicContact CG2-CD1 3.77Å
199	T	88.1	Confident	93.5	Very high	40 Å²	40	54.5 Å²	54.5	25%	0.245	27%	0.269	C	S	.	.			trans	-134.6	167.2	-179.1	67.1	0	0	0	0	110.3	R201 D202 L227	T199-R201 PolarHBondContact O-N 2.88Å; T199-R201 PolarHBondContact OG1-N 2.7Å; T199-D202 PolarHBondContact N-OD2 2.78Å; T199-D202 WeakPolarHBondContact O-CB 3.4Å; T199-D202 PolarHBondContact O-N 2.91Å; T199-D202 PolarHBondContact OG1-OD2 3.31Å; T199-L227 WeakPolarHBondContact O-CD1 3.46Å
200	V	88.4	Confident	93.7	Very high	71 Å²	71	43.9 Å²	43.9	43%	0.43	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-57	-22.6	174.9	-174.6	0	0	0	0	112.3	D202 N203	V200-D202 VanDerWaalsContact C-N 3.26Å; V200-D202 PolarHBondContact O-N 2.81Å; V200-N203 VanDerWaalsContact O-CB 3.3Å; V200-N203 WeakPolarHBondContact O-CB 3.36Å; V200-N203 VanDerWaalsContact O-CG 3.31Å; V200-N203 PolarHBondContact O-N 2.75Å; V200-N203 PolarHBondContact O-ND2 2.89Å
201	R	89.9	Confident	93.8	Very high	226 Å²	226	45.1 Å²	45.1	85%	0.853	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-71.5	-19.8	175.9	-59.7	-176.8	-176.4	178.9	1.9	113.5	T199	T199-R201 PolarHBondContact O-N 2.88Å; T199-R201 PolarHBondContact OG1-N 2.7Å
202	D	92.3	Very high	93.9	Very high	23 Å²	23	41.8 Å²	41.8	12%	0.123	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-80.2	-9.4	177.2	-60.4	-72.4	0	0	0	111.5	H175 R185 I198 T199 V200 Y206 L225	H175-D202 PolarHBondContact NE2-O 3.38Å; R185-D202 IonicContact NH2-OD1 2.71Å; R185-D202 PolarHBondContact NH2-OD1 2.94Å; R185-D202 IonicContact NH2-OD2 3.71Å; R185-D202 PolarHBondContact NH2-OD2 3.43Å; I198-D202 HydrophobicContact CD1-CB 4.26Å; I198-D202 HydrophobicContact CG1-CB 3.62Å; T199-D202 PolarHBondContact N-OD2 2.78Å; T199-D202 WeakPolarHBondContact O-CB 3.4Å; T199-D202 PolarHBondContact O-N 2.91Å; T199-D202 PolarHBondContact OG1-OD2 3.31Å; V200-D202 VanDerWaalsContact C-N 3.26Å; V200-D202 PolarHBondContact O-N 2.81Å; D202-Y206 PolarHBondContact O-OH 2.99Å; D202-Y206 VanDerWaalsContact O-OH 3.1Å; D202-L225 HydrophobicContact CB-CD2 4.05Å; D202-L225 WeakPolarHBondContact O-CD2 2.98Å
203	N	92.7	Very high	93.8	Very high	41 Å²	41	39 Å²	39	22%	0.219	21%	0.209	C	C	.	.			trans	-52.7	144.4	174.9	-76.6	-9.2	0	0	0	112	H175 V200 L225 L227	H175-N203 PolarHBondContact NE2-O 3.15Å; V200-N203 VanDerWaalsContact O-CB 3.3Å; V200-N203 WeakPolarHBondContact O-CB 3.36Å; V200-N203 VanDerWaalsContact O-CG 3.31Å; V200-N203 PolarHBondContact O-N 2.75Å; V200-N203 PolarHBondContact O-ND2 2.89Å; N203-L225 WeakPolarHBondContact CA-O 3.35Å; N203-L227 PolarHBondContact ND2-N 3.03Å; N203-L227 PolarHBondContact ND2-O 3.01Å; N203-L227 WeakPolarHBondContact OD1-CB 3.32Å; N203-L227 PolarHBondContact OD1-N 3.2Å
204	G	94.6	Very high	93.7	Very high	15 Å²	15	39.1 Å²	39.1	16%	0.155	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.4	-163.2	-179.2	0	0	0	0	0	113.3	N176 L225	N176-G204 VanDerWaalsContact OD1-CA 3.24Å; N176-G204 WeakPolarHBondContact OD1-CA 3.43Å; G204-L225 PolarHBondContact N-O 3.19Å; G204-L225 PolarHBondContact O-N 3.5Å
205	V	96.3	Very high	93.7	Very high	52 Å²	52	39.2 Å²	39.2	32%	0.315	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.7	-173	-175.3	0	0	0	0	109.8	H175 N176 N222 V224	H175-V205 WeakPolarHBondContact CA-O 3.5Å; N176-V205 PolarHBondContact N-O 3.44Å; N176-V205 PolarHBondContact OD1-N 3.45Å; V205-N222 HydrophobicContact CG1-CB 3.43Å; V205-N222 VanDerWaalsContact CG1-CB 3.43Å; V205-V224 HydrophobicContact CG2-CG2 4.39Å
206	Y	96.6	Very high	93.7	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.7	174.1	-70.2	-93.6	0	0	0	110.4	L157 L159 F174 H175 L180 L193 V195 D202 N222 F223 L225	L157-Y206 HydrophobicContact CD2-CD2 4.32Å; L157-Y206 HydrophobicContact CD2-CE2 3.91Å; L159-Y206 VanDerWaalsContact CD1-CB 3.43Å; L159-Y206 HydrophobicContact CD1-CD1 4.01Å; L159-Y206 HydrophobicContact CD1-CD2 4.26Å; L159-Y206 HydrophobicContact CD1-CG 3.65Å; F174-Y206 WeakPolarHBondContact O-CA 3.25Å; H175-Y206 HydrophobicContact CB-CD1 4.39Å; H175-Y206 HydrophobicContact CB-CE1 4.18Å; H175-Y206 AromaticContact CD2-CE1 3.91Å; H175-Y206 AromaticContact CD2-CE2 3.73Å; H175-Y206 AromaticContact CD2-CZ 3.59Å; L180-Y206 HydrophobicContact CD1-CD1 4.24Å; L180-Y206 HydrophobicContact CD1-CE1 4.08Å; L193-Y206 HydrophobicContact CD2-CD1 3.98Å; L193-Y206 HydrophobicContact CD2-CE1 4.27Å; V195-Y206 HydrophobicContact CG2-CE1 4.41Å; D202-Y206 PolarHBondContact O-OH 2.99Å; D202-Y206 VanDerWaalsContact O-OH 3.1Å; Y206-N222 WeakPolarHBondContact O-CA 3.13Å; Y206-N222 WeakPolarHBondContact O-CB 3.44Å; Y206-F223 HydrophobicContact CD2-CD1 4.41Å; Y206-F223 PolarHBondContact N-O 3.47Å; Y206-F223 PolarHBondContact O-N 3.04Å; Y206-L225 HydrophobicContact CD2-CB 4.21Å; Y206-L225 HydrophobicContact CE2-CB 3.83Å; Y206-L225 HydrophobicContact CE2-CD2 4.04Å
207	S	96.9	Very high	93.8	Very high	8 Å²	8	41.1 Å²	41.1	6%	0.056	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	160.9	176.5	51.8	0	0	0	0	110.2	F174 S219 N222	F174-S207 WeakPolarHBondContact CB-OG 3.27Å; F174-S207 PolarHBondContact N-O 3.41Å; F174-S207 PolarHBondContact O-N 3.08Å; S207-S219 WeakPolarHBondContact CA-OG 3.44Å; S207-S219 VanDerWaalsContact CB-OG 3.28Å; S207-S219 WeakPolarHBondContact CB-OG 3.32Å; S207-N222 WeakPolarHBondContact CB-OD1 3.45Å
208	C	96.6	Very high	94.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.5	175.8	61.9	0	0	0	0	111.8	V145 C161 R172 W173 S219	V145-C208 HydrophobicContact CG2-CB 4.24Å; V145-C208 VanDerWaalsContact CG2-SG 3.51Å; C161-C208 HydrophobicContact CB-CB 3.58Å; C161-C208 WeakPolarHBondContact CB-SG 3.48Å; C161-C208 WeakPolarHBondContact SG-CB 3.47Å; C161-C208 CovalentContact SG-SG 2.02Å; C161-C208 PolarHBondContact SG-SG 2.94Å; R172-C208 CarbonylContact O-C 3.49Å; R172-C208 VanDerWaalsContact O-CA 3.23Å; R172-C208 WeakPolarHBondContact O-CA 3.28Å; W173-C208 HydrophobicContact CD2-CB 4.2Å; W173-C208 HydrophobicContact CE3-CB 4.01Å; W173-C208 HydrophobicContact CH2-CB 4.45Å; W173-C208 HydrophobicContact CZ3-CB 4.14Å; C208-S219 PolarHBondContact N-OG 3.14Å; C208-S219 VanDerWaalsContact N-OG 3.08Å; C208-S219 PolarHBondContact O-N 2.89Å; C208-S219 PolarHBondContact O-OG 2.03Å
209	E	96.2	Very high	94.4	Very high	21 Å²	21	43.9 Å²	43.9	10%	0.098	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.9	164	-70.2	-178	166.5	0	0	108.8	Y171 R172 F174 L216 I217 R218	Y171-E209 CarbonylContact C-O 3.55Å; Y171-E209 VanDerWaalsContact CA-O 3.32Å; Y171-E209 WeakPolarHBondContact CA-O 3.39Å; R172-E209 HydrophobicContact CB-CB 4.3Å; R172-E209 PolarHBondContact N-O 3.47Å; R172-E209 IonicContact NH1-OE2 3.93Å; R172-E209 PolarHBondContact O-N 3.39Å; F174-E209 HydrophobicContact CD2-CG 4.23Å; F174-E209 HydrophobicContact CE2-CB 3.95Å; F174-E209 VanDerWaalsContact CE2-CD 3.41Å; F174-E209 HydrophobicContact CE2-CG 3.44Å; F174-E209 VanDerWaalsContact CE2-CG 3.44Å; F174-E209 WeakPolarHBondContact CE2-OE2 3.48Å; F174-E209 HydrophobicContact CZ-CG 4Å; F174-E209 WeakPolarHBondContact CZ-OE2 3.25Å; E209-L216 HydrophobicContact CB-CD1 4.01Å; E209-I217 VanDerWaalsContact CA-O 3.29Å; E209-I217 WeakPolarHBondContact CA-O 3.47Å; E209-R218 HydrophobicContact CG-CG 4.1Å; E209-R218 IonicContact OE1-CZ 2.85Å; E209-R218 IonicContact OE1-NE 3.48Å; E209-R218 IonicContact OE1-NH1 3.23Å; E209-R218 PolarHBondContact OE1-NH1 3.39Å
210	A	96.8	Very high	94.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.6	175.4	0	0	0	0	0	108.8	A163 P169 Y171 I217	A163-A210 HydrophobicContact CB-CB 3.37Å; P169-A210 HydrophobicContact CB-CB 3.85Å; P169-A210 HydrophobicContact CG-CB 4.48Å; Y171-A210 HydrophobicContact CD1-CB 4.06Å; Y171-A210 HydrophobicContact CE1-CB 3.91Å; A210-I217 HydrophobicContact CB-CD1 4.37Å; A210-I217 HydrophobicContact CB-CG1 3.95Å; A210-I217 PolarHBondContact N-O 3.36Å; A210-I217 PolarHBondContact O-N 2.82Å
211	E	95.9	Very high	94.5	Very high	73 Å²	73	44 Å²	44	34%	0.341	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.8	-177.7	-166.9	175.8	148.7	0	0	111.1	P169 V170 R172 G215 L216	P169-E211 CarbonylContact C-O 3.6Å; P169-E211 VanDerWaalsContact CA-O 3.26Å; P169-E211 WeakPolarHBondContact CA-O 3.33Å; V170-E211 PolarHBondContact N-O 3.05Å; V170-E211 PolarHBondContact O-N 3.05Å; R172-E211 IonicContact CZ-OE2 3.4Å; R172-E211 IonicContact NH1-OE2 3.58Å; R172-E211 PolarHBondContact NH1-OE2 3.16Å; R172-E211 IonicContact NH2-OE2 3.34Å; R172-E211 PolarHBondContact NH2-OE2 3.36Å; E211-G215 CarbonylContact C-O 3.57Å; E211-G215 WeakPolarHBondContact CA-O 3.36Å; E211-L216 HydrophobicContact CB-CD1 3.69Å; E211-L216 HydrophobicContact CG-CB 4.25Å; E211-L216 HydrophobicContact CG-CD1 4.07Å
212	N	95.7	Very high	94.8	Very high	18 Å²	18	36.8 Å²	36.8	10%	0.096	22%	0.215	C	C	.	.			trans	-133.8	-172.3	170.7	76.1	-4.5	0	0	0	110.9	W138 I139 G165 A214 G215	W138-N212 PolarHBondContact O-ND2 3.49Å; I139-N212 HydrophobicContact CD1-CB 4.48Å; G165-N212 WeakPolarHBondContact CA-ND2 3.46Å; N212-A214 PolarHBondContact O-N 3.49Å; N212-A214 VanDerWaalsContact O-N 3.16Å; N212-A214 WeakPolarHBondContact OD1-CA 3.23Å; N212-A214 VanDerWaalsContact OD1-CB 3.23Å; N212-A214 WeakPolarHBondContact OD1-CB 3.42Å; N212-A214 PolarHBondContact OD1-N 3.43Å; N212-G215 PolarHBondContact N-O 3.38Å; N212-G215 PolarHBondContact O-N 3.32Å; N212-G215 VanDerWaalsContact O-N 3.1Å; N212-G215 PolarHBondContact OD1-N 3.08Å; N212-G215 VanDerWaalsContact OD1-N 3.14Å; N212-G215 PolarHBondContact OD1-O 3.33Å
213	S	95.4	Very high	94.9	Very high	59 Å²	59	37.4 Å²	37.4	41%	0.413	22%	0.217	S	C	.	.	S	Bend	trans	-58.2	-23.4	177.7	51.3	0	0	0	0	114.1	D167	D167-S213 WeakPolarHBondContact OD2-CB 3.38Å; D167-S213 PolarHBondContact OD2-OG 3.5Å
214	A	94.9	Very high	95	Very high	4 Å²	4	40 Å²	40	3%	0.033	23%	0.234	C	C	.	.	S	Bend	trans	-80.8	-39.5	174.8	0	0	0	0	0	111.9	R59 L137 W138 I139 N212	R59-A214 VanDerWaalsContact CD-O 3.3Å; R59-A214 WeakPolarHBondContact CD-O 3.41Å; R59-A214 PolarHBondContact NE-O 3.08Å; R59-A214 PolarHBondContact NH1-O 2.88Å; L137-A214 HydrophobicContact CB-CB 3.97Å; W138-A214 VanDerWaalsContact CA-CB 3.48Å; W138-A214 WeakPolarHBondContact O-CB 3.46Å; I139-A214 HydrophobicContact CB-CB 4.2Å; I139-A214 HydrophobicContact CG2-CB 4.12Å; N212-A214 PolarHBondContact O-N 3.49Å; N212-A214 VanDerWaalsContact O-N 3.16Å; N212-A214 WeakPolarHBondContact OD1-CA 3.23Å; N212-A214 VanDerWaalsContact OD1-CB 3.23Å; N212-A214 WeakPolarHBondContact OD1-CB 3.42Å; N212-A214 PolarHBondContact OD1-N 3.43Å
215	G	95	Very high	94.9	Very high	17 Å²	17	39.7 Å²	39.7	18%	0.175	23%	0.229	C	C	.	.			trans	162.4	-162.3	177.8	0	0	0	0	0	114.3	E211 N212	E211-G215 CarbonylContact C-O 3.57Å; E211-G215 WeakPolarHBondContact CA-O 3.36Å; N212-G215 PolarHBondContact N-O 3.38Å; N212-G215 PolarHBondContact O-N 3.32Å; N212-G215 VanDerWaalsContact O-N 3.1Å; N212-G215 PolarHBondContact OD1-N 3.08Å; N212-G215 VanDerWaalsContact OD1-N 3.14Å; N212-G215 PolarHBondContact OD1-O 3.33Å
216	L	95	Very high	94.6	Very high	88 Å²	88	41.7 Å²	41.7	46%	0.461	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.2	-177.2	179.9	76	0	0	0	110.7	E209 E211	E209-L216 HydrophobicContact CB-CD1 4.01Å; E211-L216 HydrophobicContact CB-CD1 3.69Å; E211-L216 HydrophobicContact CG-CB 4.25Å; E211-L216 HydrophobicContact CG-CD1 4.07Å
217	I	95.6	Very high	94.2	Very high	18 Å²	18	42.6 Å²	42.6	9%	0.092	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	161.2	171.5	66.8	170.7	0	0	0	111.5	I139 N140 A143 A163 E209 A210	I139-I217 HydrophobicContact CD1-CD1 4.05Å; I139-I217 HydrophobicContact CD1-CG1 3.85Å; I139-I217 HydrophobicContact CD1-CG2 4.19Å; I139-I217 HydrophobicContact CG1-CD1 4.03Å; I139-I217 HydrophobicContact CG1-CG1 4.33Å; I139-I217 HydrophobicContact CG1-CG2 4.29Å; I139-I217 HydrophobicContact CG2-CG2 3.93Å; N140-I217 WeakPolarHBondContact O-CD1 3.43Å; N140-I217 WeakPolarHBondContact O-CG2 3.05Å; A143-I217 HydrophobicContact CB-CD1 4.12Å; A163-I217 HydrophobicContact CB-CD1 4Å; E209-I217 VanDerWaalsContact CA-O 3.29Å; E209-I217 WeakPolarHBondContact CA-O 3.47Å; A210-I217 HydrophobicContact CB-CD1 4.37Å; A210-I217 HydrophobicContact CB-CG1 3.95Å; A210-I217 PolarHBondContact N-O 3.36Å; A210-I217 PolarHBondContact O-N 2.82Å
218	R	95	Very high	93.5	Very high	129 Å²	129	46 Å²	46	49%	0.487	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	158	175.1	-56.1	-169.2	64.2	124.7	-11.7	110.5	A143 E209 A220	A143-R218 PolarHBondContact N-O 3.24Å; E209-R218 HydrophobicContact CG-CG 4.1Å; E209-R218 IonicContact OE1-CZ 2.85Å; E209-R218 IonicContact OE1-NE 3.48Å; E209-R218 IonicContact OE1-NH1 3.23Å; E209-R218 PolarHBondContact OE1-NH1 3.39Å; R218-A220 PolarHBondContact O-N 3.21Å
219	S	94.6	Very high	92.3	Very high	14 Å²	14	51.3 Å²	51.3	10%	0.098	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	127.8	171	52.2	0	0	0	0	111.6	A143 S207 C208 N222	A143-S219 CarbonylContact O-C 3.53Å; A143-S219 WeakPolarHBondContact O-CA 3.02Å; S207-S219 WeakPolarHBondContact CA-OG 3.44Å; S207-S219 VanDerWaalsContact CB-OG 3.28Å; S207-S219 WeakPolarHBondContact CB-OG 3.32Å; C208-S219 PolarHBondContact N-OG 3.14Å; C208-S219 VanDerWaalsContact N-OG 3.08Å; C208-S219 PolarHBondContact O-N 2.89Å; C208-S219 PolarHBondContact O-OG 2.03Å; S219-N222 PolarHBondContact OG-OD1 2.73Å
220	A	89.4	Confident	90.7	Very high	66 Å²	66	54 Å²	54	55%	0.545	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-33.5	172.5	0	0	0	0	0	111.5	N142 A143 R218	N142-A220 HydrophobicContact CB-CB 3.77Å; N142-A220 WeakPolarHBondContact ND2-CB 3.21Å; A143-A220 PolarHBondContact O-N 3.02Å; R218-A220 PolarHBondContact O-N 3.21Å
221	A	90.1	Very high	88.6	Confident	49 Å²	49	57.6 Å²	57.6	41%	0.405	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.9	173.1	0	0	0	0	0	109.7	V144 V145	V144-A221 HydrophobicContact CG1-CB 4.44Å; V145-A221 PolarHBondContact N-O 3.12Å
222	N	94.3	Very high	86.3	Confident	74 Å²	74	62.8 Å²	62.8	40%	0.396	39%	0.389	S	S	.	.			trans	-97.6	152.9	178.9	-59.5	-31.2	0	0	0	110.3	V205 Y206 S207 S219	V205-N222 HydrophobicContact CG1-CB 3.43Å; V205-N222 VanDerWaalsContact CG1-CB 3.43Å; Y206-N222 WeakPolarHBondContact O-CA 3.13Å; Y206-N222 WeakPolarHBondContact O-CB 3.44Å; S207-N222 WeakPolarHBondContact CB-OD1 3.45Å; S219-N222 PolarHBondContact OG-OD1 2.73Å
223	F	95.3	Very high	84.2	Confident	36 Å²	36	63.9 Å²	63.9	16%	0.158	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.2	174.4	-179.4	-96	0	0	0	110.5	V145 A147 L150 L157 L159 Y206 L225	V145-F223 HydrophobicContact CB-CB 4.31Å; V145-F223 HydrophobicContact CG1-CB 3.65Å; A147-F223 HydrophobicContact CB-CD2 3.98Å; A147-F223 HydrophobicContact CB-CE2 3.47Å; A147-F223 VanDerWaalsContact CB-CE2 3.47Å; A147-F223 HydrophobicContact CB-CZ 3.91Å; L150-F223 HydrophobicContact CD2-CE2 4.29Å; L150-F223 HydrophobicContact CD2-CZ 3.75Å; L157-F223 HydrophobicContact CD1-CE1 3.79Å; L157-F223 HydrophobicContact CD1-CZ 4.24Å; L157-F223 HydrophobicContact CD2-CE1 4.36Å; L159-F223 HydrophobicContact CD1-CB 4.22Å; L159-F223 HydrophobicContact CD1-CD1 4.04Å; L159-F223 HydrophobicContact CD1-CG 4.37Å; L159-F223 HydrophobicContact CD2-CB 4.15Å; L159-F223 HydrophobicContact CD2-CD1 3.58Å; L159-F223 HydrophobicContact CD2-CD2 4.17Å; L159-F223 HydrophobicContact CD2-CE1 3.96Å; L159-F223 HydrophobicContact CD2-CG 3.67Å; L159-F223 HydrophobicContact CD2-CZ 4.41Å; L159-F223 HydrophobicContact CG-CD1 4.44Å; Y206-F223 HydrophobicContact CD2-CD1 4.41Å; Y206-F223 PolarHBondContact N-O 3.47Å; Y206-F223 PolarHBondContact O-N 3.04Å; F223-L225 HydrophobicContact CE1-CB 4.08Å; F223-L225 HydrophobicContact CE1-CD1 4.31Å
224	V	94.4	Very high	82.1	Confident	96 Å²	96	66.1 Å²	66.1	58%	0.582	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.9	177	-175.5	0	0	0	0	109	V205	V205-V224 HydrophobicContact CG2-CG2 4.39Å
225	L	92.7	Very high	80.1	Confident	7 Å²	7	77 Å²	77	4%	0.037	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.6	171.2	-179.5	71.1	0	0	0	110	P151 L157 I198 D202 N203 G204 Y206 F223 L227	P151-L225 HydrophobicContact CG-CD1 3.85Å; L157-L225 HydrophobicContact CD2-CD1 4.41Å; L157-L225 HydrophobicContact CD2-CD2 4.19Å; I198-L225 HydrophobicContact CD1-CD1 4.23Å; I198-L225 HydrophobicContact CD1-CD2 3.37Å; I198-L225 HydrophobicContact CD1-CG 4.44Å; I198-L225 HydrophobicContact CG1-CD2 4.1Å; D202-L225 HydrophobicContact CB-CD2 4.05Å; D202-L225 WeakPolarHBondContact O-CD2 2.98Å; N203-L225 WeakPolarHBondContact CA-O 3.35Å; G204-L225 PolarHBondContact N-O 3.19Å; G204-L225 PolarHBondContact O-N 3.5Å; Y206-L225 HydrophobicContact CD2-CB 4.21Å; Y206-L225 HydrophobicContact CE2-CB 3.83Å; Y206-L225 HydrophobicContact CE2-CD2 4.04Å; F223-L225 HydrophobicContact CE1-CB 4.08Å; F223-L225 HydrophobicContact CE1-CD1 4.31Å; L225-L227 HydrophobicContact CD1-CD2 4.47Å; L225-L227 HydrophobicContact CD1-CG 4.2Å; L225-L227 HydrophobicContact CD2-CD1 4.34Å; L225-L227 HydrophobicContact CD2-CG 4.5Å; L225-L227 HydrophobicContact CG-CG 4.33Å
226	S	90.9	Very high	77.6	Confident	95 Å²	95	79.4 Å²	79.4	66%	0.664	48%	0.475	S	S	*	.			trans	-139	90.1	175.8	178.3	0	0	0	0	111.4
227	L	87.2	Confident	75.3	Confident	23 Å²	23	84.9 Å²	84.9	12%	0.12	49%	0.49	C	S	.	.			trans	-82.2	136.9	171.3	-64.8	172.2	0	0	0	111	P151 I198 T199 N203 L225	P151-L227 HydrophobicContact CB-CD2 4.24Å; P151-L227 HydrophobicContact CG-CD2 3.62Å; P151-L227 HydrophobicContact CG-CG 4.5Å; I198-L227 HydrophobicContact CB-CD1 4.44Å; I198-L227 HydrophobicContact CD1-CD1 4.32Å; I198-L227 HydrophobicContact CG1-CD1 3.96Å; I198-L227 HydrophobicContact CG2-CD1 3.77Å; T199-L227 WeakPolarHBondContact O-CD1 3.46Å; N203-L227 PolarHBondContact ND2-N 3.03Å; N203-L227 PolarHBondContact ND2-O 3.01Å; N203-L227 WeakPolarHBondContact OD1-CB 3.32Å; N203-L227 PolarHBondContact OD1-N 3.2Å; L225-L227 HydrophobicContact CD1-CD2 4.47Å; L225-L227 HydrophobicContact CD1-CG 4.2Å; L225-L227 HydrophobicContact CD2-CD1 4.34Å; L225-L227 HydrophobicContact CD2-CG 4.5Å; L225-L227 HydrophobicContact CG-CG 4.33Å
228	P	82.5	Confident	73	Confident	79 Å²	79	87.4 Å²	87.4	51%	0.513	51%	0.508	S	S	.	.			trans	-70.1	141.2	174.7	28.8	-33.1	0	0	0	111.4	S230	P228-S230 VanDerWaalsContact C-N 3.31Å; P228-S230 PolarHBondContact O-N 3.3Å
229	S	70.7	Confident	70.6	Confident	111 Å²	111	91.2 Å²	91.2	78%	0.776	52%	0.524	S	S	*	.	S	Bend	trans	-68.4	-27.2	178.3	54.2	0	0	0	0	113.7
230	S	64	Low	68.3	Low	78 Å²	78	102.6 Å²	102.6	55%	0.545	57%	0.572	S	S	.	*	S	Bend	trans	-102.7	114.1	176.1	61.5	0	0	0	0	109.9	P228 K232	P228-S230 VanDerWaalsContact C-N 3.31Å; P228-S230 PolarHBondContact O-N 3.3Å; S230-K232 VanDerWaalsContact C-N 3.32Å; S230-K232 PolarHBondContact O-N 2.84Å
231	G	52.9	Low	67.3	Low	75 Å²	75	104.4 Å²	104.4	77%	0.773	57%	0.574	S	S	*	*			trans	-60.7	85.1	177.4	0	0	0	0	0	113
232	K	47.3	Very low	66.1	Low	183 Å²	183	107.3 Å²	107.3	80%	0.796	58%	0.582	S	S	*	*			trans	-99.4	88.7	154.8	-76.9	-172.2	178.6	179.5	0	106.9	S230 P234	S230-K232 VanDerWaalsContact C-N 3.32Å; S230-K232 PolarHBondContact O-N 2.84Å; K232-P234 WeakPolarHBondContact O-CD 3.25Å
233	C	51.9	Low	64.5	Low	41 Å²	41	109.2 Å²	109.2	28%	0.277	59%	0.593	S	S	.	*			trans	-69.3	119.2	173.1	-169.5	0	0	0	0	108.4	R235 R237 C238	C233-R235 PolarHBondContact O-N 3.28Å; C233-R237 VanDerWaalsContact SG-C 3.51Å; C233-R237 PolarHBondContact SG-N 3.45Å; C233-R237 VanDerWaalsContact SG-N 3.39Å; C233-R237 PolarHBondContact SG-O 3.15Å; C233-C238 WeakPolarHBondContact CB-SG 3.36Å
234	P	50.8	Low	62.7	Low	105 Å²	105	113.5 Å²	113.5	68%	0.682	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-12.2	-175.1	-21.7	33.4	0	0	0	114.1	K232	K232-P234 WeakPolarHBondContact O-CD 3.25Å
235	R	52	Low	60.7	Low	232 Å²	232	114.6 Å²	114.6	88%	0.875	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146	34.2	-178.7	-68.5	-164.6	166.4	94.6	0.7	115.5	C233 R237	C233-R235 PolarHBondContact O-N 3.28Å; R235-R237 PolarHBondContact O-N 2.91Å
236	G	43.4	Very low	58.6	Low	68 Å²	68	121.7 Å²	121.7	70%	0.701	66%	0.66	S	S	*	*	S	Bend	trans	67.9	24.2	161.9	0	0	0	0	0	116.9
237	R	46.9	Very low	56.3	Low	204 Å²	204	123.6 Å²	123.6	77%	0.77	66%	0.659	S	S	*	*			trans	-122.6	81.7	170.2	-65.2	-171.2	-169.8	-164.4	2.5	109.5	C233 R235	C233-R237 VanDerWaalsContact SG-C 3.51Å; C233-R237 PolarHBondContact SG-N 3.45Å; C233-R237 VanDerWaalsContact SG-N 3.39Å; C233-R237 PolarHBondContact SG-O 3.15Å; R235-R237 PolarHBondContact O-N 2.91Å
238	C	47.7	Very low	53.9	Low	70 Å²	70	131.4 Å²	131.4	47%	0.473	70%	0.701	S	S	.	*			trans	-87.6	130.5	166.3	-60.9	0	0	0	0	108.7	C233	C233-C238 WeakPolarHBondContact CB-SG 3.36Å
239	Y	43.2	Very low	51.5	Low	210 Å²	210	135.8 Å²	135.8	82%	0.824	72%	0.716	S	S	*	*			trans	-121.1	134.5	155.6	-68.1	-82	0	0	0	107.2
240	F	47.2	Very low	49.7	Very low	252 Å²	252	138 Å²	138	100%	1.105	71%	0.711	S	S	*	*			trans	-87.8	0	-176.5	-66.8	-89.7	0	0	0	111.5

Retrieved 240 of 240 residues in 253.3 ms (Link to these results)

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