A0A077Z268_TRITR Loading...

Protein 60A

AlphaFold DB , UniProt , Accession A0A077Z268, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 414 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	54.7	Low	55.7	Low	220 Å²	220	108.2 Å²	108.2	100%	1.084	63%	0.629	S	S	*	*				0	-38	0	-80.2	176	70.2	0	0	114.8	A3 A4	M1-A3 PolarHBondContact O-N 3.22Å; M1-A4 PolarHBondContact O-N 3.06Å
2	K	58.4	Low	54.5	Low	193 Å²	193	116.7 Å²	116.7	84%	0.839	64%	0.643	S	S	*	*	H	α-helix	trans	-63.9	-30.6	-179.3	-71.9	-176	176.3	-178.3	0	115.4
3	A	58.2	Low	53.4	Low	83 Å²	83	115.8 Å²	115.8	69%	0.686	64%	0.643	S	S	*	*	H	α-helix	trans	-72.5	-31.3	-179.8	0	0	0	0	0	114	M1	M1-A3 PolarHBondContact O-N 3.22Å
4	A	59.3	Low	52.3	Low	67 Å²	67	117.4 Å²	117.4	55%	0.554	65%	0.649	S	S	*	*	H	α-helix	trans	-72.6	-31.6	-179.7	0	0	0	0	0	112.4	M1 A7 V8	M1-A4 PolarHBondContact O-N 3.06Å; A4-A7 PolarHBondContact O-N 3.02Å; A4-V8 WeakPolarHBondContact O-CG2 3.32Å; A4-V8 PolarHBondContact O-N 3.35Å
5	L	59	Low	51.2	Low	121 Å²	121	118.3 Å²	118.3	63%	0.634	66%	0.658	S	S	*	*	H	α-helix	trans	-68.6	-36	179.2	-163.2	72.7	0	0	0	111.9	V8 I9	L5-V8 PolarHBondContact O-N 3.03Å; L5-I9 HydrophobicContact CG-CD1 4.32Å; L5-I9 VanDerWaalsContact O-CG1 3.31Å; L5-I9 WeakPolarHBondContact O-CG1 3.37Å; L5-I9 PolarHBondContact O-N 2.85Å
6	L	57.1	Low	50.3	Low	123 Å²	123	115.9 Å²	115.9	64%	0.644	66%	0.659	S	S	*	*	H	α-helix	trans	-68.5	-34.6	177.3	-77.2	166.1	0	0	0	112.5	I9 A10	L6-I9 PolarHBondContact O-N 3.48Å; L6-A10 WeakPolarHBondContact O-CB 3.28Å; L6-A10 PolarHBondContact O-N 3.28Å
7	A	57.5	Low	49.4	Very low	58 Å²	58	116.9 Å²	116.9	48%	0.479	67%	0.667	S	S	.	*	H	α-helix	trans	-69.4	-35.4	177.7	0	0	0	0	0	112.6	A4 A10 T11	A4-A7 PolarHBondContact O-N 3.02Å; A7-A10 PolarHBondContact O-N 2.86Å; A7-T11 PolarHBondContact O-N 2.98Å; A7-T11 PolarHBondContact O-OG1 3.31Å
8	V	57.8	Low	48.6	Very low	84 Å²	84	114.4 Å²	114.4	51%	0.509	66%	0.663	S	S	.	*	H	α-helix	trans	-71	-34.7	176	178	0	0	0	0	111.3	A4 L5 T11 R12	A4-V8 WeakPolarHBondContact O-CG2 3.32Å; A4-V8 PolarHBondContact O-N 3.35Å; L5-V8 PolarHBondContact O-N 3.03Å; V8-T11 WeakPolarHBondContact CA-OG1 3.24Å; V8-T11 PolarHBondContact O-OG1 2.81Å; V8-R12 PolarHBondContact O-N 3.46Å; V8-R12 VanDerWaalsContact O-N 3.09Å
9	I	53.9	Low	48	Very low	95 Å²	95	113.9 Å²	113.9	49%	0.487	67%	0.667	S	S	.	*	H	α-helix	trans	-71.1	-40.9	174.3	-63	166	0	0	0	110.1	L5 L6 T11 R12 V13	L5-I9 HydrophobicContact CG-CD1 4.32Å; L5-I9 VanDerWaalsContact O-CG1 3.31Å; L5-I9 WeakPolarHBondContact O-CG1 3.37Å; L5-I9 PolarHBondContact O-N 2.85Å; L6-I9 PolarHBondContact O-N 3.48Å; I9-T11 PolarHBondContact O-N 3.4Å; I9-R12 PolarHBondContact O-N 3.34Å; I9-V13 HydrophobicContact CG2-CG2 4.46Å; I9-V13 VanDerWaalsContact O-CG2 3.28Å; I9-V13 WeakPolarHBondContact O-CG2 3.43Å; I9-V13 PolarHBondContact O-N 3.45Å
10	A	49.2	Very low	47.3	Very low	53 Å²	53	116.2 Å²	116.2	44%	0.438	68%	0.676	S	S	.	*	H	α-helix	trans	-65	-37.9	177	0	0	0	0	0	112.8	L6 A7 V13 L14	L6-A10 WeakPolarHBondContact O-CB 3.28Å; L6-A10 PolarHBondContact O-N 3.28Å; A7-A10 PolarHBondContact O-N 2.86Å; A10-V13 PolarHBondContact O-N 2.69Å; A10-L14 PolarHBondContact O-N 3.46Å
11	T	48.1	Very low	47	Very low	93 Å²	93	115.3 Å²	115.3	57%	0.571	67%	0.672	S	S	*	*	H	α-helix	trans	-73.1	-27.8	175.2	35.8	0	0	0	0	113.1	A7 V8 I9	A7-T11 PolarHBondContact O-N 2.98Å; A7-T11 PolarHBondContact O-OG1 3.31Å; V8-T11 WeakPolarHBondContact CA-OG1 3.24Å; V8-T11 PolarHBondContact O-OG1 2.81Å; I9-T11 PolarHBondContact O-N 3.4Å
12	R	40.7	Very low	46.3	Very low	210 Å²	210	109 Å²	109	79%	0.792	65%	0.647	S	S	*	*	H	α-helix	trans	-77.6	-23	171.7	-76.8	-149.7	172.9	-162.3	-1.2	114.3	V8 I9	V8-R12 PolarHBondContact O-N 3.46Å; V8-R12 VanDerWaalsContact O-N 3.09Å; I9-R12 PolarHBondContact O-N 3.34Å
13	V	41.1	Very low	45.7	Very low	106 Å²	106	105.4 Å²	105.4	64%	0.642	65%	0.647	S	S	*	*	H	α-helix	trans	-81.3	-24	174.6	174.3	0	0	0	0	111.6	I9 A10	I9-V13 HydrophobicContact CG2-CG2 4.46Å; I9-V13 VanDerWaalsContact O-CG2 3.28Å; I9-V13 WeakPolarHBondContact O-CG2 3.43Å; I9-V13 PolarHBondContact O-N 3.45Å; A10-V13 PolarHBondContact O-N 2.69Å
14	L	37.3	Very low	45.2	Very low	138 Å²	138	106.7 Å²	106.7	72%	0.723	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-2.4	-176.5	-112.9	106.7	0	0	0	116.7	A10	A10-L14 PolarHBondContact O-N 3.46Å
15	V	36.7	Very low	45	Very low	131 Å²	131	104.2 Å²	104.2	79%	0.794	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	4.3	-177.7	-177.4	0	0	0	0	113.3
16	A	35.5	Very low	44.9	Very low	80 Å²	80	99.4 Å²	99.4	66%	0.661	60%	0.602	S	S	*	*			trans	-113.8	30.5	177.6	0	0	0	0	0	113.3	A18	A16-A18 PolarHBondContact O-N 2.93Å
17	V	34.7	Very low	45.3	Very low	133 Å²	133	93.6 Å²	93.6	81%	0.806	57%	0.572	S	S	*	*			trans	-82.3	55.7	158.7	-157.2	0	0	0	0	107.8	S19	V17-S19 PolarHBondContact O-N 3Å
18	A	35.6	Very low	45.8	Very low	72 Å²	72	92.6 Å²	92.6	60%	0.595	56%	0.557	S	S	*	*			trans	-63.1	129.6	154.3	0	0	0	0	0	104.7	A16 D20	A16-A18 PolarHBondContact O-N 2.93Å; A18-D20 PolarHBondContact O-N 3.2Å
19	S	38.3	Very low	46.7	Very low	105 Å²	105	91.5 Å²	91.5	73%	0.734	54%	0.544	S	S	*	.			trans	-44.9	101.9	175	48.6	0	0	0	0	110.2	V17 V21	V17-S19 PolarHBondContact O-N 3Å; S19-V21 PolarHBondContact O-N 3.49Å
20	D	33.6	Very low	47.8	Very low	158 Å²	158	87.1 Å²	87.1	85%	0.845	52%	0.522	S	S	*	.			trans	-64.4	83.2	167.8	-82.6	-35.1	0	0	0	107.1	A18 P22	A18-D20 PolarHBondContact O-N 3.2Å; D20-P22 WeakPolarHBondContact O-CD 3.31Å
21	V	41	Very low	49	Very low	99 Å²	99	85.8 Å²	85.8	60%	0.6	51%	0.508	S	S	*	.			trans	-65.1	116.3	158.1	178.9	0	0	0	0	104.6	S19 S23	S19-V21 PolarHBondContact O-N 3.49Å; V21-S23 PolarHBondContact O-N 2.67Å
22	P	39.3	Very low	50.2	Low	86 Å²	86	83.2 Å²	83.2	56%	0.558	49%	0.49	S	S	*	.			trans	-54.3	129.4	-175	18	-28.9	0	0	0	109.3	D20 T24 A25	D20-P22 WeakPolarHBondContact O-CD 3.31Å; P22-T24 PolarHBondContact O-N 2.72Å; P22-A25 PolarHBondContact O-N 2.84Å; P22-A25 VanDerWaalsContact O-N 3.16Å
23	S	46	Very low	51.1	Low	119 Å²	119	74.6 Å²	74.6	83%	0.832	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	12.2	-176.9	50.5	0	0	0	0	114.6	V21	V21-S23 PolarHBondContact O-N 2.67Å
24	T	46.9	Very low	52.2	Low	109 Å²	109	75 Å²	75	67%	0.669	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	27.3	-179.1	60.4	0	0	0	0	112	P22 S26	P22-T24 PolarHBondContact O-N 2.72Å; T24-S26 PolarHBondContact O-N 2.98Å; T24-S26 VanDerWaalsContact O-N 3.11Å
25	A	55.5	Low	53.4	Low	16 Å²	16	77 Å²	77	13%	0.132	47%	0.471	C	S	.	.			trans	-60.4	115	171.8	0	0	0	0	0	109.7	P22 I27	P22-A25 PolarHBondContact O-N 2.84Å; P22-A25 VanDerWaalsContact O-N 3.16Å; A25-I27 PolarHBondContact O-N 3.11Å
26	S	58.2	Low	54.8	Low	20 Å²	20	76.3 Å²	76.3	14%	0.14	46%	0.459	C	S	.	.			trans	-69.3	118.8	172.4	44.9	0	0	0	0	109.7	T24 Y29 A39 D324	T24-S26 PolarHBondContact O-N 2.98Å; T24-S26 VanDerWaalsContact O-N 3.11Å; S26-Y29 PolarHBondContact OG-OH 2.86Å; S26-A39 WeakPolarHBondContact OG-CB 3.41Å; S26-D324 WeakPolarHBondContact O-CB 3.18Å; S26-D324 VanDerWaalsContact O-CG 3.28Å; S26-D324 VanDerWaalsContact O-OD2 3.12Å
27	I	64.2	Low	56.5	Low	0 Å²	0	76.7 Å²	76.7	0%	0	45%	0.453	C	S	.	.			trans	-77.5	-30.7	-179.4	-72	-175.9	0	0	0	112.3	A25 L42 R48 F51 S321 L325	A25-I27 PolarHBondContact O-N 3.11Å; I27-L42 HydrophobicContact CB-CD1 4.39Å; I27-L42 HydrophobicContact CB-CG 4.3Å; I27-L42 HydrophobicContact CD1-CD1 3.02Å; I27-L42 HydrophobicContact CD1-CD2 4.14Å; I27-L42 HydrophobicContact CD1-CG 3.74Å; I27-L42 HydrophobicContact CG1-CD1 3.55Å; I27-L42 HydrophobicContact CG1-CG 3.98Å; I27-R48 HydrophobicContact CD1-CG 4.39Å; I27-F51 HydrophobicContact CD1-CD1 4.44Å; I27-F51 HydrophobicContact CG2-CE1 4.01Å; I27-S321 PolarHBondContact O-N 3.3Å; I27-L325 HydrophobicContact CD1-CD2 3.61Å; I27-L325 HydrophobicContact CD1-CG 4.18Å; I27-L325 HydrophobicContact CG1-CD2 4.38Å; I27-L325 HydrophobicContact CG1-CG 4.43Å; I27-L325 HydrophobicContact CG2-CD1 4.41Å; I27-L325 HydrophobicContact CG2-CD2 4.07Å; I27-L325 HydrophobicContact CG2-CG 3.93Å
28	F	68.6	Low	58.5	Low	37 Å²	37	73.1 Å²	73.1	16%	0.162	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.6	-172.4	-57.2	-79.2	0	0	0	112.1	Y40 F51 L318 Y319 V320	F28-Y40 PolarHBondContact O-N 3.06Å; F28-F51 HydrophobicContact CE1-CE1 4.15Å; F28-F51 AromaticContact CE1-CZ 3.73Å; F28-F51 HydrophobicContact CE1-CZ 3.73Å; F28-F51 HydrophobicContact CE2-CD1 4.33Å; F28-F51 AromaticContact CE2-CE1 3.76Å; F28-F51 HydrophobicContact CE2-CE1 3.76Å; F28-F51 HydrophobicContact CE2-CE2 4.28Å; F28-F51 AromaticContact CE2-CZ 3.82Å; F28-F51 HydrophobicContact CE2-CZ 3.82Å; F28-F51 HydrophobicContact CZ-CD1 4.28Å; F28-F51 HydrophobicContact CZ-CD2 4.41Å; F28-F51 AromaticContact CZ-CE1 3.35Å; F28-F51 HydrophobicContact CZ-CE1 3.35Å; F28-F51 AromaticContact CZ-CE2 3.56Å; F28-F51 HydrophobicContact CZ-CE2 3.56Å; F28-F51 AromaticContact CZ-CZ 2.99Å; F28-F51 HydrophobicContact CZ-CZ 2.99Å; F28-L318 HydrophobicContact CB-CD1 4.28Å; F28-L318 HydrophobicContact CD1-CD1 4.09Å; F28-Y319 WeakPolarHBondContact CA-O 3.39Å; F28-V320 HydrophobicContact CD1-CG2 4Å; F28-V320 HydrophobicContact CE1-CG1 4.3Å; F28-V320 HydrophobicContact CE1-CG2 3.89Å
29	Y	76.6	Confident	60.3	Low	61 Å²	61	71.6 Å²	71.6	24%	0.239	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125	173	-51.8	-101.8	0	0	0	107.4	S26 V38 A39 L318 Y319 D324	S26-Y29 PolarHBondContact OG-OH 2.86Å; Y29-V38 VanDerWaalsContact CA-O 3.32Å; Y29-V38 WeakPolarHBondContact CA-O 3.49Å; Y29-A39 HydrophobicContact CD1-CB 3.6Å; Y29-A39 HydrophobicContact CE1-CB 3.51Å; Y29-L318 CarbonylContact O-C 3.32Å; Y29-L318 WeakPolarHBondContact O-CA 3.5Å; Y29-Y319 AromaticContact CD2-CD1 3.87Å; Y29-Y319 HydrophobicContact CD2-CD1 3.87Å; Y29-Y319 HydrophobicContact CE2-CD1 4.38Å; Y29-Y319 PolarHBondContact N-O 2.92Å; Y29-Y319 VanDerWaalsContact N-O 3.13Å; Y29-Y319 PolarHBondContact O-N 2.97Å; Y29-D324 WeakPolarHBondContact CE2-OD2 3.38Å; Y29-D324 PolarHBondContact OH-OD2 2.83Å
30	A	77.5	Confident	61.7	Low	4 Å²	4	68 Å²	68	3%	0.033	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	160.2	179.3	0	0	0	0	0	110.8	D32 V38 Y40 T317 L318 Y341	A30-D32 PolarHBondContact O-N 3.11Å; A30-V38 PolarHBondContact N-O 3.03Å; A30-V38 PolarHBondContact O-N 3.27Å; A30-Y40 HydrophobicContact CB-CD2 3.99Å; A30-Y40 HydrophobicContact CB-CE2 3.46Å; A30-Y40 VanDerWaalsContact CB-CE2 3.46Å; A30-T317 VanDerWaalsContact CA-O 3.29Å; A30-T317 WeakPolarHBondContact CA-O 3.4Å; A30-T317 WeakPolarHBondContact CB-O 3.46Å; A30-L318 HydrophobicContact CB-CD1 4.11Å; A30-Y341 HydrophobicContact CB-CE1 4.3Å
31	D	73.2	Confident	63.2	Low	24 Å²	24	65 Å²	65	13%	0.128	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	128	175.7	-159.7	-48.3	0	0	0	110.8	G33 Q35 Q36 T317	D31-G33 PolarHBondContact O-N 3.46Å; D31-G33 VanDerWaalsContact OD1-CA 3.25Å; D31-G33 WeakPolarHBondContact OD1-CA 3.34Å; D31-G33 PolarHBondContact OD1-N 3.14Å; D31-Q35 PolarHBondContact OD1-N 2.69Å; D31-Q36 CarbonylContact C-O 3.6Å; D31-Q36 VanDerWaalsContact CA-O 3.31Å; D31-Q36 WeakPolarHBondContact CA-O 3.4Å; D31-T317 PolarHBondContact N-O 3.35Å; D31-T317 PolarHBondContact N-OG1 3.22Å
32	D	72.9	Confident	63.8	Low	39 Å²	39	62.8 Å²	62.8	21%	0.209	36%	0.363	C	S	.	.			trans	-79	-4.7	174.2	69.7	-10.8	0	0	0	113.4	A30 L34 Q36 V38 W308	A30-D32 PolarHBondContact O-N 3.11Å; D32-L34 WeakPolarHBondContact OD1-CA 3.45Å; D32-L34 WeakPolarHBondContact OD1-CB 3.25Å; D32-L34 PolarHBondContact OD1-N 3.34Å; D32-Q36 PolarHBondContact N-O 3.22Å; D32-Q36 PolarHBondContact OD1-N 3.48Å; D32-Q36 VanDerWaalsContact OD1-O 3.11Å; D32-V38 HydrophobicContact CB-CB 4.36Å; D32-V38 HydrophobicContact CB-CG2 3.7Å; D32-W308 VanDerWaalsContact C-NE1 3.35Å; D32-W308 PolarHBondContact O-NE1 2.82Å
33	G	60.8	Low	64.9	Low	30 Å²	30	62.2 Å²	62.2	31%	0.309	36%	0.355	S	S	.	.	S	Bend	trans	94.8	-9.2	-175.3	0	0	0	0	0	116.3	D31 Q35 W308	D31-G33 PolarHBondContact O-N 3.46Å; D31-G33 VanDerWaalsContact OD1-CA 3.25Å; D31-G33 WeakPolarHBondContact OD1-CA 3.34Å; D31-G33 PolarHBondContact OD1-N 3.14Å; G33-Q35 VanDerWaalsContact C-N 3.29Å; G33-W308 VanDerWaalsContact N-NE1 3.16Å
34	L	64.3	Low	66	Low	114 Å²	114	64.6 Å²	64.6	60%	0.597	35%	0.35	S	S	*	.	S	Bend	trans	-98.9	19.2	173.3	-61.9	173.5	0	0	0	110.7	D32 Q36	D32-L34 WeakPolarHBondContact OD1-CA 3.45Å; D32-L34 WeakPolarHBondContact OD1-CB 3.25Å; D32-L34 PolarHBondContact OD1-N 3.34Å; L34-Q36 HydrophobicContact CB-CG 4.5Å; L34-Q36 PolarHBondContact O-N 2.88Å
35	Q	62.3	Low	67.2	Low	181 Å²	181	64 Å²	64	85%	0.846	35%	0.35	S	S	*	.	S	Bend	trans	62.3	28.5	-173.1	-54	176.6	-21.6	0	0	112	D31 G33	D31-Q35 PolarHBondContact OD1-N 2.69Å; G33-Q35 VanDerWaalsContact C-N 3.29Å
36	Q	65.9	Low	68.1	Low	116 Å²	116	69 Å²	69	54%	0.542	37%	0.37	S	S	.	.			trans	-115	132.8	175.2	-57.6	-174.5	10.9	0	0	110	D31 D32 L34 V38	D31-Q36 CarbonylContact C-O 3.6Å; D31-Q36 VanDerWaalsContact CA-O 3.31Å; D31-Q36 WeakPolarHBondContact CA-O 3.4Å; D32-Q36 PolarHBondContact N-O 3.22Å; D32-Q36 PolarHBondContact OD1-N 3.48Å; D32-Q36 VanDerWaalsContact OD1-O 3.11Å; L34-Q36 HydrophobicContact CB-CG 4.5Å; L34-Q36 PolarHBondContact O-N 2.88Å; Q36-V38 PolarHBondContact O-N 3.41Å
37	T	71.4	Confident	68.9	Low	88 Å²	88	71 Å²	71	54%	0.54	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	113.5	174.3	-60.6	0	0	0	0	108.9
38	V	76.1	Confident	69.3	Low	58 Å²	58	74.3 Å²	74.3	35%	0.352	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143	179.6	-176.8	0	0	0	0	109.8	Y29 A30 D32 Q36	Y29-V38 VanDerWaalsContact CA-O 3.32Å; Y29-V38 WeakPolarHBondContact CA-O 3.49Å; A30-V38 PolarHBondContact N-O 3.03Å; A30-V38 PolarHBondContact O-N 3.27Å; D32-V38 HydrophobicContact CB-CB 4.36Å; D32-V38 HydrophobicContact CB-CG2 3.7Å; Q36-V38 PolarHBondContact O-N 3.41Å
39	A	73.1	Confident	69.8	Low	39 Å²	39	77.3 Å²	77.3	32%	0.322	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	118.3	176.5	0	0	0	0	0	109.5	S26 Y29 P41	S26-A39 WeakPolarHBondContact OG-CB 3.41Å; Y29-A39 HydrophobicContact CD1-CB 3.6Å; Y29-A39 HydrophobicContact CE1-CB 3.51Å; A39-P41 VanDerWaalsContact O-CD 3.29Å; A39-P41 WeakPolarHBondContact O-CD 3.36Å
40	Y	69	Low	70	Confident	30 Å²	30	78.2 Å²	78.2	12%	0.118	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	113.7	176.7	-71.1	-79	0	0	0	109	F28 A30 L42 V301 I302	F28-Y40 PolarHBondContact O-N 3.06Å; A30-Y40 HydrophobicContact CB-CD2 3.99Å; A30-Y40 HydrophobicContact CB-CE2 3.46Å; A30-Y40 VanDerWaalsContact CB-CE2 3.46Å; Y40-L42 PolarHBondContact O-N 3.21Å; Y40-V301 HydrophobicContact CD1-CG1 3.79Å; Y40-V301 WeakPolarHBondContact CD1-O 3.35Å; Y40-V301 WeakPolarHBondContact CE1-O 3.29Å; Y40-V301 HydrophobicContact CG-CG1 4.2Å; Y40-I302 HydrophobicContact CE1-CG1 4.31Å
41	P	64.1	Low	70.1	Confident	95 Å²	95	80.9 Å²	80.9	62%	0.617	42%	0.422	S	S	*	.			trans	-65.5	136.2	173	28.3	-32.4	0	0	0	108.5	A39	A39-P41 VanDerWaalsContact O-CD 3.29Å; A39-P41 WeakPolarHBondContact O-CD 3.36Å
42	L	54.4	Low	70.6	Confident	52 Å²	52	81.5 Å²	81.5	27%	0.272	42%	0.424	S	S	.	.			trans	-63.5	148.1	178.3	-96.4	173.9	0	0	0	112.9	I27 Y40 R48	I27-L42 HydrophobicContact CB-CD1 4.39Å; I27-L42 HydrophobicContact CB-CG 4.3Å; I27-L42 HydrophobicContact CD1-CD1 3.02Å; I27-L42 HydrophobicContact CD1-CD2 4.14Å; I27-L42 HydrophobicContact CD1-CG 3.74Å; I27-L42 HydrophobicContact CG1-CD1 3.55Å; I27-L42 HydrophobicContact CG1-CG 3.98Å; Y40-L42 PolarHBondContact O-N 3.21Å; L42-R48 HydrophobicContact CD1-CB 3.62Å; L42-R48 HydrophobicContact CD1-CG 3.51Å
43	L	60.9	Low	71.2	Confident	74 Å²	74	84.9 Å²	84.9	39%	0.387	44%	0.437	S	S	.	.			trans	-45.1	166.9	153.1	-71.5	172.3	0	0	0	113.8	E47	L43-E47 HydrophobicContact CB-CB 3.67Å; L43-E47 HydrophobicContact CB-CG 4.25Å; L43-E47 VanDerWaalsContact CB-OE2 3.27Å; L43-E47 WeakPolarHBondContact CB-OE2 2.99Å; L43-E47 HydrophobicContact CD1-CB 4.46Å
44	K	70.7	Confident	72.3	Confident	170 Å²	170	86 Å²	86	74%	0.739	43%	0.434	S	S	*	.			trans	-54.6	159	-170.8	-64.6	170.9	-177.8	167.7	0	112	H46 E47 R48	K44-H46 PolarHBondContact O-N 3.44Å; K44-E47 WeakPolarHBondContact CB-OE2 3.43Å; K44-E47 PolarHBondContact N-OE2 2.92Å; K44-E47 WeakPolarHBondContact O-CB 2.98Å; K44-E47 PolarHBondContact O-N 2.98Å; K44-R48 PolarHBondContact O-N 3.36Å
45	S	71.6	Confident	73.2	Confident	96 Å²	96	81.3 Å²	81.3	67%	0.671	41%	0.41	S	S	*	.	H	α-helix	trans	-45.5	-42	-175.6	55.1	0	0	0	0	114.9	E47 R48 E49	S45-E47 PolarHBondContact O-N 3Å; S45-R48 WeakPolarHBondContact O-CB 3.45Å; S45-R48 PolarHBondContact O-N 3.2Å; S45-E49 PolarHBondContact O-N 3.08Å
46	H	75.3	Confident	74.4	Confident	120 Å²	120	73 Å²	73	56%	0.556	37%	0.371	S	S	*	.	H	α-helix	trans	-62.4	-40.8	176.9	178.8	-86.3	0	0	0	113.4	K44 R48 E49 E50	K44-H46 PolarHBondContact O-N 3.44Å; H46-R48 VanDerWaalsContact C-N 3.32Å; H46-R48 PolarHBondContact O-N 2.9Å; H46-E49 PolarHBondContact O-N 2.49Å; H46-E50 PolarHBondContact O-N 3.11Å; H46-E50 VanDerWaalsContact O-N 3.09Å
47	E	73.6	Confident	75.3	Confident	62 Å²	62	73.9 Å²	73.9	29%	0.29	37%	0.369	S	S	.	.	H	α-helix	trans	-68.9	-35	-179.2	-65.4	167.9	119.6	0	0	110.8	L43 K44 S45 F51	L43-E47 HydrophobicContact CB-CB 3.67Å; L43-E47 HydrophobicContact CB-CG 4.25Å; L43-E47 VanDerWaalsContact CB-OE2 3.27Å; L43-E47 WeakPolarHBondContact CB-OE2 2.99Å; L43-E47 HydrophobicContact CD1-CB 4.46Å; K44-E47 WeakPolarHBondContact CB-OE2 3.43Å; K44-E47 PolarHBondContact N-OE2 2.92Å; K44-E47 WeakPolarHBondContact O-CB 2.98Å; K44-E47 PolarHBondContact O-N 2.98Å; S45-E47 PolarHBondContact O-N 3Å; E47-F51 VanDerWaalsContact O-CB 3.27Å; E47-F51 WeakPolarHBondContact O-CB 3.19Å; E47-F51 PolarHBondContact O-N 2.82Å
48	R	73.4	Confident	75.9	Confident	71 Å²	71	74.7 Å²	74.7	27%	0.268	37%	0.366	S	S	.	.	H	α-helix	trans	-60.8	-45.3	170.5	173.2	178.7	175.2	170.5	0.1	112.2	I27 L42 K44 S45 H46 F51 Q52	I27-R48 HydrophobicContact CD1-CG 4.39Å; L42-R48 HydrophobicContact CD1-CB 3.62Å; L42-R48 HydrophobicContact CD1-CG 3.51Å; K44-R48 PolarHBondContact O-N 3.36Å; S45-R48 WeakPolarHBondContact O-CB 3.45Å; S45-R48 PolarHBondContact O-N 3.2Å; H46-R48 VanDerWaalsContact C-N 3.32Å; H46-R48 PolarHBondContact O-N 2.9Å; R48-F51 PolarHBondContact O-N 3.23Å; R48-Q52 WeakPolarHBondContact O-CB 2.99Å; R48-Q52 WeakPolarHBondContact O-CG 3.26Å; R48-Q52 PolarHBondContact O-N 3.14Å
49	E	78.7	Confident	76.3	Confident	99 Å²	99	72.1 Å²	72.1	46%	0.463	35%	0.35	S	S	.	.	H	α-helix	trans	-63.9	-45.4	-179.9	-73.6	176.8	-164	0	0	111.8	S45 H46 F51 Q52 K53	S45-E49 PolarHBondContact O-N 3.08Å; H46-E49 PolarHBondContact O-N 2.49Å; E49-F51 VanDerWaalsContact C-N 3.3Å; E49-F51 PolarHBondContact O-N 2.03Å; E49-Q52 PolarHBondContact O-N 2.93Å; E49-K53 VanDerWaalsContact O-CG 3.31Å; E49-K53 WeakPolarHBondContact O-CG 3.15Å; E49-K53 PolarHBondContact O-N 3.13Å
50	E	81	Confident	76.7	Confident	81 Å²	81	71.9 Å²	71.9	38%	0.379	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-39.9	176.3	-71.7	-60.1	113.4	0	0	111.8	H46 K53 E54	H46-E50 PolarHBondContact O-N 3.11Å; H46-E50 VanDerWaalsContact O-N 3.09Å; E50-K53 PolarHBondContact O-N 2.93Å; E50-K53 IonicContact OE1-NZ 2.73Å; E50-K53 PolarHBondContact OE1-NZ 3.17Å; E50-E54 PolarHBondContact O-N 3.19Å
51	F	80.1	Confident	77.5	Confident	59 Å²	59	72 Å²	72	26%	0.259	35%	0.354	S	S	.	.	H	α-helix	trans	-63.1	-46.4	175.2	179.9	-105.9	0	0	0	112.5	I27 F28 E47 R48 E49 K53 E54 I55 L325	I27-F51 HydrophobicContact CD1-CD1 4.44Å; I27-F51 HydrophobicContact CG2-CE1 4.01Å; F28-F51 HydrophobicContact CE1-CE1 4.15Å; F28-F51 AromaticContact CE1-CZ 3.73Å; F28-F51 HydrophobicContact CE1-CZ 3.73Å; F28-F51 HydrophobicContact CE2-CD1 4.33Å; F28-F51 AromaticContact CE2-CE1 3.76Å; F28-F51 HydrophobicContact CE2-CE1 3.76Å; F28-F51 HydrophobicContact CE2-CE2 4.28Å; F28-F51 AromaticContact CE2-CZ 3.82Å; F28-F51 HydrophobicContact CE2-CZ 3.82Å; F28-F51 HydrophobicContact CZ-CD1 4.28Å; F28-F51 HydrophobicContact CZ-CD2 4.41Å; F28-F51 AromaticContact CZ-CE1 3.35Å; F28-F51 HydrophobicContact CZ-CE1 3.35Å; F28-F51 AromaticContact CZ-CE2 3.56Å; F28-F51 HydrophobicContact CZ-CE2 3.56Å; F28-F51 AromaticContact CZ-CZ 2.99Å; F28-F51 HydrophobicContact CZ-CZ 2.99Å; E47-F51 VanDerWaalsContact O-CB 3.27Å; E47-F51 WeakPolarHBondContact O-CB 3.19Å; E47-F51 PolarHBondContact O-N 2.82Å; R48-F51 PolarHBondContact O-N 3.23Å; E49-F51 VanDerWaalsContact C-N 3.3Å; E49-F51 PolarHBondContact O-N 2.03Å; F51-K53 VanDerWaalsContact C-N 3.34Å; F51-K53 PolarHBondContact O-N 3.17Å; F51-E54 PolarHBondContact O-N 3.31Å; F51-I55 HydrophobicContact CD1-CD1 3.88Å; F51-I55 HydrophobicContact CE1-CD1 3.08Å; F51-I55 HydrophobicContact CE1-CG1 3.91Å; F51-I55 HydrophobicContact CE2-CD1 4.17Å; F51-I55 HydrophobicContact CE2-CG1 4.1Å; F51-I55 HydrophobicContact CZ-CD1 3.18Å; F51-I55 HydrophobicContact CZ-CG1 3.55Å; F51-I55 PolarHBondContact O-N 3.11Å; F51-L325 HydrophobicContact CD1-CD2 4.39Å; F51-L325 HydrophobicContact CE1-CD2 4.19Å
52	Q	83.1	Confident	78.4	Confident	38 Å²	38	77.5 Å²	77.5	18%	0.178	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-43.5	175.6	-77.2	179	-16.4	0	0	111.7	R48 E49 E54 I55 L56 L325 W327	R48-Q52 WeakPolarHBondContact O-CB 2.99Å; R48-Q52 WeakPolarHBondContact O-CG 3.26Å; R48-Q52 PolarHBondContact O-N 3.14Å; E49-Q52 PolarHBondContact O-N 2.93Å; Q52-E54 VanDerWaalsContact C-N 3.29Å; Q52-E54 PolarHBondContact O-N 3.08Å; Q52-I55 PolarHBondContact O-N 3.26Å; Q52-L56 VanDerWaalsContact O-CG 3.26Å; Q52-L56 WeakPolarHBondContact O-CG 3.08Å; Q52-L56 PolarHBondContact O-N 3.23Å; Q52-L325 HydrophobicContact CG-CD2 3.76Å; Q52-L325 PolarHBondContact NE2-O 3.1Å; Q52-L325 VanDerWaalsContact NE2-O 3.09Å; Q52-W327 HydrophobicContact CB-CZ2 4.27Å; Q52-W327 HydrophobicContact CG-CZ2 4.3Å
53	K	85.2	Confident	80	Confident	110 Å²	110	82.4 Å²	82.4	48%	0.478	38%	0.383	S	S	.	.	H	α-helix	trans	-59.4	-40.1	176.1	-72.3	172.7	-163.6	165.2	0	112	E49 E50 F51 L56 R57	E49-K53 VanDerWaalsContact O-CG 3.31Å; E49-K53 WeakPolarHBondContact O-CG 3.15Å; E49-K53 PolarHBondContact O-N 3.13Å; E50-K53 PolarHBondContact O-N 2.93Å; E50-K53 IonicContact OE1-NZ 2.73Å; E50-K53 PolarHBondContact OE1-NZ 3.17Å; F51-K53 VanDerWaalsContact C-N 3.34Å; F51-K53 PolarHBondContact O-N 3.17Å; K53-L56 PolarHBondContact O-N 3.46Å; K53-R57 WeakPolarHBondContact O-CB 3.48Å; K53-R57 PolarHBondContact O-N 2.86Å
54	E	84.5	Confident	81.3	Confident	52 Å²	52	80.8 Å²	80.8	24%	0.243	38%	0.377	C	S	.	.	H	α-helix	trans	-70.5	-39.4	-179.8	-167	65.6	-173	0	0	112	E50 F51 Q52 R57 F58 R282	E50-E54 PolarHBondContact O-N 3.19Å; F51-E54 PolarHBondContact O-N 3.31Å; Q52-E54 VanDerWaalsContact C-N 3.29Å; Q52-E54 PolarHBondContact O-N 3.08Å; E54-R57 WeakPolarHBondContact O-CB 3.48Å; E54-R57 PolarHBondContact O-N 2.98Å; E54-F58 HydrophobicContact CG-CD2 4.39Å; E54-F58 HydrophobicContact CG-CE2 3.8Å; E54-F58 HydrophobicContact CG-CZ 4.38Å; E54-F58 WeakPolarHBondContact O-CD2 3.49Å; E54-F58 PolarHBondContact O-N 2.92Å; E54-F58 VanDerWaalsContact O-N 3.07Å; E54-R282 IonicContact OE1-CZ 3.46Å; E54-R282 IonicContact OE1-NE 3.52Å; E54-R282 IonicContact OE1-NH2 2.66Å; E54-R282 PolarHBondContact OE1-NH2 3.26Å
55	I	83.9	Confident	82.2	Confident	17 Å²	17	73 Å²	73	9%	0.087	34%	0.344	C	S	.	.	H	α-helix	trans	-63.8	-45.4	172.7	-59.7	164.6	0	0	0	111	F51 Q52 R57 F58 L59 L325 W327	F51-I55 HydrophobicContact CD1-CD1 3.88Å; F51-I55 HydrophobicContact CE1-CD1 3.08Å; F51-I55 HydrophobicContact CE1-CG1 3.91Å; F51-I55 HydrophobicContact CE2-CD1 4.17Å; F51-I55 HydrophobicContact CE2-CG1 4.1Å; F51-I55 HydrophobicContact CZ-CD1 3.18Å; F51-I55 HydrophobicContact CZ-CG1 3.55Å; F51-I55 PolarHBondContact O-N 3.11Å; Q52-I55 PolarHBondContact O-N 3.26Å; I55-R57 PolarHBondContact O-N 3.2Å; I55-F58 WeakPolarHBondContact O-CA 3.47Å; I55-F58 WeakPolarHBondContact O-CB 3.35Å; I55-F58 PolarHBondContact O-N 2.7Å; I55-L59 HydrophobicContact CG2-CD1 4.23Å; I55-L59 HydrophobicContact CG2-CG 4.34Å; I55-L59 PolarHBondContact O-N 3.49Å; I55-L325 HydrophobicContact CD1-CD1 3.75Å; I55-L325 HydrophobicContact CD1-CD2 3.95Å; I55-W327 HydrophobicContact CB-CH2 3.53Å; I55-W327 HydrophobicContact CB-CZ2 4.47Å; I55-W327 HydrophobicContact CB-CZ3 4.19Å; I55-W327 HydrophobicContact CD1-CH2 4.08Å; I55-W327 HydrophobicContact CD1-CZ3 4.48Å; I55-W327 HydrophobicContact CG1-CH2 4.48Å; I55-W327 HydrophobicContact CG2-CH2 3.34Å; I55-W327 HydrophobicContact CG2-CZ3 3.48Å; I55-W327 VanDerWaalsContact CG2-CZ3 3.48Å
56	L	87.2	Confident	83.1	Confident	7 Å²	7	75.3 Å²	75.3	4%	0.037	34%	0.344	C	S	.	.	H	α-helix	trans	-56.9	-41.3	177.7	-72.1	165.9	0	0	0	111	Q52 K53 F58 L59 G60 L61 P64 W327 W330	Q52-L56 VanDerWaalsContact O-CG 3.26Å; Q52-L56 WeakPolarHBondContact O-CG 3.08Å; Q52-L56 PolarHBondContact O-N 3.23Å; K53-L56 PolarHBondContact O-N 3.46Å; L56-F58 VanDerWaalsContact C-N 3.33Å; L56-F58 PolarHBondContact O-N 2.77Å; L56-L59 CarbonylContact O-C 3.51Å; L56-L59 WeakPolarHBondContact O-CA 3.27Å; L56-L59 WeakPolarHBondContact O-CB 3.17Å; L56-L59 PolarHBondContact O-N 2.9Å; L56-G60 PolarHBondContact O-N 2.85Å; L56-L61 CarbonylContact C-O 3.49Å; L56-L61 HydrophobicContact CB-CB 4.36Å; L56-L61 WeakPolarHBondContact CB-O 3.19Å; L56-L61 HydrophobicContact CD2-CB 4.12Å; L56-L61 HydrophobicContact CD2-CD1 4.28Å; L56-L61 PolarHBondContact O-N 3.47Å; L56-P64 HydrophobicContact CD1-CG 3.87Å; L56-P64 HydrophobicContact CD2-CG 4.36Å; L56-W327 HydrophobicContact CD1-CZ2 4.47Å; L56-W327 HydrophobicContact CD2-CH2 4.08Å; L56-W327 HydrophobicContact CD2-CZ2 4Å; L56-W327 HydrophobicContact CG-CH2 4.02Å; L56-W327 HydrophobicContact CG-CZ2 3.85Å; L56-W330 HydrophobicContact CD2-CH2 4.16Å; L56-W330 HydrophobicContact CD2-CZ2 3.99Å
57	R	85.1	Confident	83.6	Confident	133 Å²	133	70.5 Å²	70.5	50%	0.502	32%	0.323	S	S	.	.	H	α-helix	trans	-60.8	-39.9	174.7	-170.2	-179	-177.5	175.9	3.6	112.5	K53 E54 I55 L59 G60	K53-R57 WeakPolarHBondContact O-CB 3.48Å; K53-R57 PolarHBondContact O-N 2.86Å; E54-R57 WeakPolarHBondContact O-CB 3.48Å; E54-R57 PolarHBondContact O-N 2.98Å; I55-R57 PolarHBondContact O-N 3.2Å; R57-L59 VanDerWaalsContact C-N 3.31Å; R57-G60 PolarHBondContact O-N 3.15Å; R57-G60 VanDerWaalsContact O-N 3.08Å
58	F	83.1	Confident	84.1	Confident	106 Å²	106	70.9 Å²	70.9	47%	0.465	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-38.4	172.1	-71.5	-56.9	0	0	0	112.2	E54 I55 L56 G60	E54-F58 HydrophobicContact CG-CD2 4.39Å; E54-F58 HydrophobicContact CG-CE2 3.8Å; E54-F58 HydrophobicContact CG-CZ 4.38Å; E54-F58 WeakPolarHBondContact O-CD2 3.49Å; E54-F58 PolarHBondContact O-N 2.92Å; E54-F58 VanDerWaalsContact O-N 3.07Å; I55-F58 WeakPolarHBondContact O-CA 3.47Å; I55-F58 WeakPolarHBondContact O-CB 3.35Å; I55-F58 PolarHBondContact O-N 2.7Å; L56-F58 VanDerWaalsContact C-N 3.33Å; L56-F58 PolarHBondContact O-N 2.77Å; F58-G60 PolarHBondContact O-N 3.3Å
59	L	84.5	Confident	84.3	Confident	3 Å²	3	73.7 Å²	73.7	2%	0.016	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-2.6	173.6	-60.8	177.8	0	0	0	113.3	I55 L56 R57 L61 W327 W330 Y403	I55-L59 HydrophobicContact CG2-CD1 4.23Å; I55-L59 HydrophobicContact CG2-CG 4.34Å; I55-L59 PolarHBondContact O-N 3.49Å; L56-L59 CarbonylContact O-C 3.51Å; L56-L59 WeakPolarHBondContact O-CA 3.27Å; L56-L59 WeakPolarHBondContact O-CB 3.17Å; L56-L59 PolarHBondContact O-N 2.9Å; R57-L59 VanDerWaalsContact C-N 3.31Å; L59-L61 HydrophobicContact CB-CD1 4.1Å; L59-L61 HydrophobicContact CB-CG 4.16Å; L59-L61 PolarHBondContact O-N 2.66Å; L59-W327 HydrophobicContact CD1-CH2 4.4Å; L59-W327 HydrophobicContact CD1-CZ3 3.86Å; L59-W330 HydrophobicContact CD1-CH2 3.85Å; L59-Y403 HydrophobicContact CB-CE1 4.37Å; L59-Y403 HydrophobicContact CD2-CD1 4.31Å; L59-Y403 HydrophobicContact CD2-CD2 4.15Å; L59-Y403 HydrophobicContact CD2-CE1 3.93Å; L59-Y403 HydrophobicContact CD2-CE2 3.74Å; L59-Y403 HydrophobicContact CD2-CG 4.39Å; L59-Y403 PolarHBondContact O-OH 3.28Å
60	G	82.2	Confident	84.2	Confident	35 Å²	35	78.7 Å²	78.7	36%	0.361	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	16.3	-176	0	0	0	0	0	113.7	L56 R57 F58	L56-G60 PolarHBondContact O-N 2.85Å; R57-G60 PolarHBondContact O-N 3.15Å; R57-G60 VanDerWaalsContact O-N 3.08Å; F58-G60 PolarHBondContact O-N 3.3Å
61	L	84.8	Confident	83.8	Confident	31 Å²	31	76.9 Å²	76.9	16%	0.162	35%	0.349	C	S	.	.			trans	-103.6	137.5	-178.9	-59.6	174.8	0	0	0	110.1	L56 L59 P65 W330 Y391	L56-L61 CarbonylContact C-O 3.49Å; L56-L61 HydrophobicContact CB-CB 4.36Å; L56-L61 WeakPolarHBondContact CB-O 3.19Å; L56-L61 HydrophobicContact CD2-CB 4.12Å; L56-L61 HydrophobicContact CD2-CD1 4.28Å; L56-L61 PolarHBondContact O-N 3.47Å; L59-L61 HydrophobicContact CB-CD1 4.1Å; L59-L61 HydrophobicContact CB-CG 4.16Å; L59-L61 PolarHBondContact O-N 2.66Å; L61-P65 HydrophobicContact CD1-CG 4.11Å; L61-P65 HydrophobicContact CD2-CG 4.43Å; L61-W330 HydrophobicContact CD1-CE3 4.46Å; L61-W330 HydrophobicContact CD1-CH2 3.71Å; L61-W330 HydrophobicContact CD1-CZ3 3.57Å; L61-Y391 HydrophobicContact CD1-CE2 4.27Å; L61-Y391 HydrophobicContact CD2-CE2 4.22Å
62	K	84.1	Confident	83.3	Confident	211 Å²	211	76 Å²	76	92%	0.917	35%	0.345	S	S	*	.	S	Bend	trans	-81	-27.7	175.3	-67	178.7	-177.2	171.3	0	112.4
63	R	87.8	Confident	81.9	Confident	155 Å²	155	79 Å²	79	59%	0.585	37%	0.367	S	S	*	.	S	Bend	trans	-154.5	162	-177.2	63.8	178.2	-177.3	-179.8	1.7	109.2	P65 D394	R63-P65 WeakPolarHBondContact O-CD 3.08Å; R63-D394 IonicContact CZ-OD2 3.46Å; R63-D394 IonicContact NE-OD2 3.21Å; R63-D394 PolarHBondContact NE-OD2 2.85Å; R63-D394 IonicContact NH2-OD2 2.81Å; R63-D394 PolarHBondContact NH2-OD2 2.78Å
64	P	88.1	Confident	80.6	Confident	41 Å²	41	75.7 Å²	75.7	27%	0.266	37%	0.365	S	S	.	.			trans	-58.8	127.7	168.8	-21.9	34.7	0	0	0	110.6	L56 H66	L56-P64 HydrophobicContact CD1-CG 3.87Å; L56-P64 HydrophobicContact CD2-CG 4.36Å; P64-H66 PolarHBondContact O-CE1 3.46Å; P64-H66 PolarHBondContact O-ND1 2.77Å
65	P	90.1	Very high	79.4	Confident	6 Å²	6	76.1 Å²	76.1	4%	0.039	37%	0.372	C	S	.	.			trans	-59.9	149.5	173.8	-25.8	34.6	0	0	0	113	L61 R63 W330 F392 D394	L61-P65 HydrophobicContact CD1-CG 4.11Å; L61-P65 HydrophobicContact CD2-CG 4.43Å; R63-P65 WeakPolarHBondContact O-CD 3.08Å; P65-W330 HydrophobicContact CB-CB 4.25Å; P65-W330 HydrophobicContact CG-CD2 4.21Å; P65-W330 HydrophobicContact CG-CE3 3.86Å; P65-W330 HydrophobicContact CG-CZ3 4.37Å; P65-F392 WeakPolarHBondContact CB-O 3.44Å; P65-F392 WeakPolarHBondContact CG-O 3.39Å; P65-D394 WeakPolarHBondContact CA-OD1 3.47Å
66	H	89.2	Confident	78.5	Confident	144 Å²	144	80.8 Å²	80.8	67%	0.667	39%	0.393	S	S	*	.			trans	-124.4	81.8	175.3	-72.7	66.6	0	0	0	110.3	P64 D394	P64-H66 PolarHBondContact O-CE1 3.46Å; P64-H66 PolarHBondContact O-ND1 2.77Å; H66-D394 PolarHBondContact N-OD1 2.89Å
67	P	86.5	Confident	78.1	Confident	19 Å²	19	81.6 Å²	81.6	12%	0.123	40%	0.397	C	S	.	.			trans	-65.6	142.2	-179.3	27.2	-35.5	0	0	0	112	K69 F392	P67-K69 PolarHBondContact O-N 2.04Å; P67-K69 VanDerWaalsContact O-N 3.12Å; P67-F392 HydrophobicContact CB-CB 3.69Å; P67-F392 HydrophobicContact CB-CD1 4.47Å; P67-F392 HydrophobicContact CB-CG 4.06Å; P67-F392 HydrophobicContact CG-CB 3.72Å; P67-F392 HydrophobicContact CG-CD2 4.22Å; P67-F392 HydrophobicContact CG-CG 4.07Å
68	D	84.3	Confident	78.1	Confident	71 Å²	71	76.7 Å²	76.7	38%	0.38	38%	0.381	S	S	.	.			trans	-73	101.9	166.5	-170.6	-0.9	0	0	0	110	R70 L71 S396	D68-R70 PolarHBondContact O-N 2.72Å; D68-R70 VanDerWaalsContact O-N 3.08Å; D68-R70 VanDerWaalsContact OD1-CB 3.27Å; D68-R70 WeakPolarHBondContact OD1-CB 3.39Å; D68-R70 WeakPolarHBondContact OD1-CG 3.45Å; D68-R70 PolarHBondContact OD1-N 3Å; D68-R70 IonicContact OD1-NE 3.82Å; D68-L71 HydrophobicContact CB-CD1 4.32Å; D68-L71 PolarHBondContact O-N 2.99Å; D68-S396 WeakPolarHBondContact CA-OG 3.04Å; D68-S396 PolarHBondContact N-OG 3.06Å; D68-S396 PolarHBondContact O-OG 3.18Å
69	K	76.1	Confident	78.4	Confident	130 Å²	130	71.7 Å²	71.7	57%	0.565	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-61.9	-14.2	178.3	-61.2	-176.4	179.4	-178.4	0	113	P67 L71 F72 D329	P67-K69 PolarHBondContact O-N 2.04Å; P67-K69 VanDerWaalsContact O-N 3.12Å; K69-L71 VanDerWaalsContact C-N 3.3Å; K69-L71 PolarHBondContact O-N 3.1Å; K69-F72 PolarHBondContact O-N 3.36Å; K69-D329 IonicContact NZ-OD1 2.62Å; K69-D329 PolarHBondContact NZ-OD1 2.77Å
70	R	78.3	Confident	78.5	Confident	204 Å²	204	72.7 Å²	72.7	77%	0.77	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-70.9	-23.5	177.7	-60.5	172.5	-156.4	179.4	8.2	113.5	D68 F72 P73	D68-R70 PolarHBondContact O-N 2.72Å; D68-R70 VanDerWaalsContact O-N 3.08Å; D68-R70 VanDerWaalsContact OD1-CB 3.27Å; D68-R70 WeakPolarHBondContact OD1-CB 3.39Å; D68-R70 WeakPolarHBondContact OD1-CG 3.45Å; D68-R70 PolarHBondContact OD1-N 3Å; D68-R70 IonicContact OD1-NE 3.82Å; R70-F72 PolarHBondContact O-N 2.88Å; R70-P73 VanDerWaalsContact O-CD 3.3Å; R70-P73 WeakPolarHBondContact O-CD 3.49Å
71	L	71	Confident	78.7	Confident	43 Å²	43	73.7 Å²	73.7	23%	0.225	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-70.1	-12.1	176	-76.1	162.2	0	0	0	112.7	D68 K69 P73 N77	D68-L71 HydrophobicContact CB-CD1 4.32Å; D68-L71 PolarHBondContact O-N 2.99Å; K69-L71 VanDerWaalsContact C-N 3.3Å; K69-L71 PolarHBondContact O-N 3.1Å; L71-P73 VanDerWaalsContact O-CD 3.23Å; L71-P73 WeakPolarHBondContact O-CD 2.98Å; L71-N77 PolarHBondContact O-ND2 2.96Å; L71-N77 VanDerWaalsContact O-ND2 3.09Å
72	F	69.3	Low	78.9	Confident	40 Å²	40	73.3 Å²	73.3	18%	0.175	36%	0.359	C	S	.	.	S	Bend	trans	-114.9	58.2	176.8	-53.8	-82.9	0	0	0	112.6	K69 R70 G74 N77 L79 P80 F392 S396 V398	K69-F72 PolarHBondContact O-N 3.36Å; R70-F72 PolarHBondContact O-N 2.88Å; F72-G74 PolarHBondContact O-N 3.27Å; F72-G74 VanDerWaalsContact O-N 3.08Å; F72-N77 WeakPolarHBondContact CD1-ND2 3.3Å; F72-L79 HydrophobicContact CE1-CD2 4.36Å; F72-P80 HydrophobicContact CD1-CG 3.46Å; F72-P80 VanDerWaalsContact CD1-CG 3.46Å; F72-P80 HydrophobicContact CE1-CG 3.57Å; F72-P80 HydrophobicContact CG-CG 4.48Å; F72-F392 HydrophobicContact CD2-CE1 4.22Å; F72-F392 HydrophobicContact CE1-CE1 4.02Å; F72-F392 AromaticContact CE2-CD1 3.97Å; F72-F392 HydrophobicContact CE2-CD1 3.97Å; F72-F392 AromaticContact CE2-CE1 3.5Å; F72-F392 HydrophobicContact CE2-CE1 3.5Å; F72-F392 HydrophobicContact CE2-CZ 4.31Å; F72-F392 AromaticContact CZ-CD1 3.98Å; F72-F392 HydrophobicContact CZ-CD1 3.98Å; F72-F392 AromaticContact CZ-CE1 3.42Å; F72-F392 HydrophobicContact CZ-CE1 3.42Å; F72-F392 VanDerWaalsContact CZ-CE1 3.42Å; F72-F392 HydrophobicContact CZ-CZ 4.43Å; F72-S396 VanDerWaalsContact CZ-O 3.3Å; F72-S396 WeakPolarHBondContact CZ-O 3.35Å; F72-V398 HydrophobicContact CZ-CG2 4.37Å
73	P	55	Low	79.3	Confident	100 Å²	100	63.2 Å²	63.2	65%	0.649	32%	0.315	S	S	*	.			trans	-82.3	95.7	-176.5	33.5	-29.8	0	0	0	110.9	R70 L71	R70-P73 VanDerWaalsContact O-CD 3.3Å; R70-P73 WeakPolarHBondContact O-CD 3.49Å; L71-P73 VanDerWaalsContact O-CD 3.23Å; L71-P73 WeakPolarHBondContact O-CD 2.98Å
74	G	58.6	Low	79.4	Confident	41 Å²	41	56.9 Å²	56.9	42%	0.423	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	73.3	-151.4	158.9	0	0	0	0	0	115.5	F72 H76	F72-G74 PolarHBondContact O-N 3.27Å; F72-G74 VanDerWaalsContact O-N 3.08Å; G74-H76 PolarHBondContact O-N 2.91Å
75	P	58.3	Low	79.3	Confident	61 Å²	61	57 Å²	57	40%	0.396	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-69.3	-8.1	-151.9	19.9	-32.4	0	0	0	119.5	Y115	P75-Y115 VanDerWaalsContact C-OH 3.31Å; P75-Y115 WeakPolarHBondContact CA-OH 3.01Å; P75-Y115 HydrophobicContact CB-CD2 4.41Å; P75-Y115 HydrophobicContact CB-CE1 4.34Å; P75-Y115 HydrophobicContact CB-CE2 3.3Å; P75-Y115 WeakPolarHBondContact CB-OH 3.02Å; P75-Y115 HydrophobicContact CG-CE2 4.48Å; P75-Y115 VanDerWaalsContact O-CE1 3.25Å; P75-Y115 WeakPolarHBondContact O-CE1 3.5Å; P75-Y115 PolarHBondContact O-OH 2.96Å
76	H	65.6	Low	79.2	Confident	116 Å²	116	57.1 Å²	57.1	54%	0.537	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-113.2	-0.7	-164.5	-66	-47.7	0	0	0	112.9	G74 M78 V261	G74-H76 PolarHBondContact O-N 2.91Å; H76-M78 PolarHBondContact O-N 3.13Å; H76-V261 HydrophobicContact CB-CG1 3.56Å
77	N	77.4	Confident	79.1	Confident	23 Å²	23	50.4 Å²	50.4	12%	0.123	26%	0.261	C	S	.	.			trans	-84.1	109	176.1	-163.8	-39.5	0	0	0	109.9	L71 F72 L79 P80 D262	L71-N77 PolarHBondContact O-ND2 2.96Å; L71-N77 VanDerWaalsContact O-ND2 3.09Å; F72-N77 WeakPolarHBondContact CD1-ND2 3.3Å; N77-L79 WeakPolarHBondContact OD1-CB 3.36Å; N77-L79 PolarHBondContact OD1-N 3.4Å; N77-L79 VanDerWaalsContact OD1-N 3.14Å; N77-P80 WeakPolarHBondContact OD1-CD 3.48Å; N77-D262 PolarHBondContact OD1-OD2 3.33Å
78	M	85.2	Confident	79.1	Confident	31 Å²	31	54.1 Å²	54.1	15%	0.153	27%	0.273	C	S	.	.			trans	-93.2	-11.9	-175.2	-58.2	-67.3	-67.7	0	0	112	H76 Y82 F176 W219 D262 F264	H76-M78 PolarHBondContact O-N 3.13Å; M78-Y82 WeakPolarHBondContact O-CB 3.45Å; M78-Y82 PolarHBondContact O-N 3.5Å; M78-F176 HydrophobicContact CE-CD1 4.03Å; M78-F176 HydrophobicContact CE-CD2 4.06Å; M78-F176 HydrophobicContact CE-CE1 3.91Å; M78-F176 HydrophobicContact CE-CE2 3.93Å; M78-F176 HydrophobicContact CE-CG 4.1Å; M78-F176 HydrophobicContact CE-CZ 3.85Å; M78-F176 HydrophobicContact CG-CB 4.16Å; M78-F176 HydrophobicContact CG-CD1 4.01Å; M78-F176 HydrophobicContact CG-CG 4.09Å; M78-F176 HydrophobicContact SD-CD1 4.23Å; M78-F176 HydrophobicContact SD-CE1 4.33Å; M78-W219 HydrophobicContact CB-CH2 3.6Å; M78-W219 HydrophobicContact CB-CZ2 4.16Å; M78-W219 HydrophobicContact CE-CZ2 4.16Å; M78-W219 HydrophobicContact CG-CH2 4.4Å; M78-D262 HydrophobicContact CB-CB 4.23Å; M78-D262 HydrophobicContact CG-CB 4.1Å; M78-D262 PolarHBondContact N-OD2 3.47Å; M78-F264 HydrophobicContact CB-CE1 4.44Å
79	L	89.2	Confident	79	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-54.6	-173.8	179.7	171.2	0	0	0	112.9	F72 N77 D81 Y82 M83 S141 P143 D262 F264 V398	F72-L79 HydrophobicContact CE1-CD2 4.36Å; N77-L79 WeakPolarHBondContact OD1-CB 3.36Å; N77-L79 PolarHBondContact OD1-N 3.4Å; N77-L79 VanDerWaalsContact OD1-N 3.14Å; L79-D81 VanDerWaalsContact C-N 3.27Å; L79-D81 PolarHBondContact O-N 3.27Å; L79-Y82 PolarHBondContact O-N 2.83Å; L79-M83 HydrophobicContact CD2-CG 4.24Å; L79-M83 WeakPolarHBondContact O-CG 3.31Å; L79-M83 PolarHBondContact O-N 3Å; L79-S141 WeakPolarHBondContact CD2-OG 3.11Å; L79-P143 HydrophobicContact CD1-CB 3.8Å; L79-P143 HydrophobicContact CD1-CG 4.39Å; L79-D262 PolarHBondContact N-OD2 3.37Å; L79-F264 HydrophobicContact CB-CD1 3.65Å; L79-F264 HydrophobicContact CB-CD2 4.36Å; L79-F264 HydrophobicContact CB-CE1 3.81Å; L79-F264 HydrophobicContact CB-CE2 4.5Å; L79-F264 HydrophobicContact CB-CG 3.94Å; L79-F264 HydrophobicContact CB-CZ 4.24Å; L79-F264 HydrophobicContact CD1-CB 3.62Å; L79-F264 HydrophobicContact CD1-CD1 4.3Å; L79-F264 HydrophobicContact CD1-CD2 4.17Å; L79-F264 HydrophobicContact CD1-CG 3.8Å; L79-F264 HydrophobicContact CG-CB 4.31Å; L79-F264 HydrophobicContact CG-CD1 4.17Å; L79-F264 HydrophobicContact CG-CD2 4.02Å; L79-F264 HydrophobicContact CG-CE1 4.49Å; L79-F264 HydrophobicContact CG-CE2 4.36Å; L79-F264 HydrophobicContact CG-CG 3.92Å; L79-V398 HydrophobicContact CD2-CB 3.64Å; L79-V398 HydrophobicContact CD2-CG2 3.29Å
80	P	88.3	Confident	79.1	Confident	24 Å²	24	49.5 Å²	49.5	16%	0.156	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-39.7	178.9	-24.8	34.8	0	0	0	112.2	F72 N77 M83 V84	F72-P80 HydrophobicContact CD1-CG 3.46Å; F72-P80 VanDerWaalsContact CD1-CG 3.46Å; F72-P80 HydrophobicContact CE1-CG 3.57Å; F72-P80 HydrophobicContact CG-CG 4.48Å; N77-P80 WeakPolarHBondContact OD1-CD 3.48Å; P80-M83 PolarHBondContact O-N 3.18Å; P80-V84 WeakPolarHBondContact O-CB 3.27Å; P80-V84 VanDerWaalsContact O-CG2 3.26Å; P80-V84 WeakPolarHBondContact O-CG2 2.91Å; P80-V84 PolarHBondContact O-N 3.39Å
81	D	86.3	Confident	78.9	Confident	55 Å²	55	40.9 Å²	40.9	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-63.5	-43.8	179.6	-75.5	-17.5	0	0	0	111.8	L79 M83 V84 D85	L79-D81 VanDerWaalsContact C-N 3.27Å; L79-D81 PolarHBondContact O-N 3.27Å; D81-M83 VanDerWaalsContact C-N 3.34Å; D81-M83 PolarHBondContact O-N 3.45Å; D81-V84 PolarHBondContact O-N 2.98Å; D81-D85 PolarHBondContact O-N 3.09Å
82	Y	88.9	Confident	78.4	Confident	23 Å²	23	45 Å²	45	9%	0.09	25%	0.245	C	C	.	.	H	α-helix	trans	-58.8	-45.8	173.9	170.6	-96.3	0	0	0	111.5	M78 L79 V84 D85 L86 R174 F264 V266	M78-Y82 WeakPolarHBondContact O-CB 3.45Å; M78-Y82 PolarHBondContact O-N 3.5Å; L79-Y82 PolarHBondContact O-N 2.83Å; Y82-V84 VanDerWaalsContact C-N 3.32Å; Y82-V84 PolarHBondContact O-N 3.37Å; Y82-D85 WeakPolarHBondContact O-CB 3.45Å; Y82-D85 PolarHBondContact O-N 2.96Å; Y82-L86 PolarHBondContact O-N 3.26Å; Y82-R174 VanDerWaalsContact OH-CZ 3.32Å; Y82-R174 PolarHBondContact OH-NE 2.93Å; Y82-R174 PolarHBondContact OH-NH2 2.73Å; Y82-F264 AromaticContact CD1-CE2 3.89Å; Y82-F264 HydrophobicContact CD1-CE2 3.89Å; Y82-F264 HydrophobicContact CD1-CZ 4.13Å; Y82-F264 HydrophobicContact CE1-CE2 4.43Å; Y82-F264 HydrophobicContact CG-CE2 4.3Å; Y82-F264 HydrophobicContact CG-CZ 4.08Å; Y82-V266 HydrophobicContact CD1-CG2 4.33Å; Y82-V266 HydrophobicContact CE1-CG1 4.4Å; Y82-V266 HydrophobicContact CE1-CG2 3.74Å
83	M	90.9	Very high	77.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.2	-29.1	-179.6	-65.4	-63.3	-67.7	0	0	112.9	L79 P80 D81 L86 Y87 V139 S141 L390 V398 L400	L79-M83 HydrophobicContact CD2-CG 4.24Å; L79-M83 WeakPolarHBondContact O-CG 3.31Å; L79-M83 PolarHBondContact O-N 3Å; P80-M83 PolarHBondContact O-N 3.18Å; D81-M83 VanDerWaalsContact C-N 3.34Å; D81-M83 PolarHBondContact O-N 3.45Å; M83-L86 HydrophobicContact SD-CD2 4.42Å; M83-Y87 WeakPolarHBondContact O-CB 3.08Å; M83-Y87 PolarHBondContact O-N 3.17Å; M83-V139 HydrophobicContact CE-CB 4.37Å; M83-V139 HydrophobicContact CE-CG1 4.09Å; M83-S141 WeakPolarHBondContact CG-OG 3.49Å; M83-L390 HydrophobicContact CB-CD1 3.94Å; M83-L390 HydrophobicContact CE-CD1 4.37Å; M83-V398 HydrophobicContact CB-CB 4.47Å; M83-V398 HydrophobicContact CB-CG1 3.63Å; M83-V398 HydrophobicContact CE-CG1 4.38Å; M83-V398 HydrophobicContact CG-CB 4.07Å; M83-V398 HydrophobicContact CG-CG1 3.74Å; M83-L400 HydrophobicContact CE-CB 3.86Å
84	V	90	Very high	77.9	Confident	22 Å²	22	47.4 Å²	47.4	13%	0.133	25%	0.249	C	C	.	.	H	α-helix	trans	-68.2	-38.7	172	167.5	0	0	0	0	111.1	P80 D81 Y82 Y87 R88 I332 L390	P80-V84 WeakPolarHBondContact O-CB 3.27Å; P80-V84 VanDerWaalsContact O-CG2 3.26Å; P80-V84 WeakPolarHBondContact O-CG2 2.91Å; P80-V84 PolarHBondContact O-N 3.39Å; D81-V84 PolarHBondContact O-N 2.98Å; Y82-V84 VanDerWaalsContact C-N 3.32Å; Y82-V84 PolarHBondContact O-N 3.37Å; V84-Y87 PolarHBondContact O-N 3.18Å; V84-R88 WeakPolarHBondContact O-CG 3.45Å; V84-R88 PolarHBondContact O-N 3.07Å; V84-I332 HydrophobicContact CG2-CG2 3.88Å; V84-L390 HydrophobicContact CB-CD2 4.41Å; V84-L390 HydrophobicContact CG2-CD2 3.67Å
85	D	87.4	Confident	77.5	Confident	42 Å²	42	49.2 Å²	49.2	23%	0.225	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-48.1	173.7	-63.1	-30.7	0	0	0	110.7	D81 Y82 Y87 R88 D89 R119	D81-D85 PolarHBondContact O-N 3.09Å; Y82-D85 WeakPolarHBondContact O-CB 3.45Å; Y82-D85 PolarHBondContact O-N 2.96Å; D85-Y87 VanDerWaalsContact C-N 3.26Å; D85-Y87 PolarHBondContact O-N 3.07Å; D85-R88 WeakPolarHBondContact O-CA 3.19Å; D85-R88 WeakPolarHBondContact O-CB 3.25Å; D85-R88 PolarHBondContact O-N 3.39Å; D85-D89 PolarHBondContact O-N 3.33Å; D85-R119 VanDerWaalsContact CG-NH2 3.27Å; D85-R119 IonicContact OD1-CZ 3.79Å; D85-R119 IonicContact OD1-NH2 3.07Å; D85-R119 PolarHBondContact OD1-NH2 3.38Å; D85-R119 IonicContact OD2-CZ 2.71Å; D85-R119 IonicContact OD2-NH1 3.94Å; D85-R119 PolarHBondContact OD2-NH1 2.89Å; D85-R119 IonicContact OD2-NH2 2.82Å; D85-R119 PolarHBondContact OD2-NH2 3.34Å
86	L	86.8	Confident	76.7	Confident	9 Å²	9	53 Å²	53	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-56.8	-42.6	176.7	-170.8	68.5	0	0	0	111.3	Y82 M83 R88 D89 T90 W133 V139 L400	Y82-L86 PolarHBondContact O-N 3.26Å; M83-L86 HydrophobicContact SD-CD2 4.42Å; L86-R88 PolarHBondContact O-N 2.7Å; L86-D89 PolarHBondContact O-N 3.49Å; L86-T90 WeakPolarHBondContact O-CG2 3.45Å; L86-T90 PolarHBondContact O-N 3.07Å; L86-T90 VanDerWaalsContact O-N 3.1Å; L86-W133 HydrophobicContact CD1-CD2 4.12Å; L86-W133 HydrophobicContact CD1-CZ2 4.11Å; L86-V139 HydrophobicContact CD2-CB 4.2Å; L86-V139 HydrophobicContact CD2-CG1 3.81Å; L86-V139 HydrophobicContact CD2-CG2 4.25Å; L86-L400 HydrophobicContact CB-CD2 4.37Å; L86-L400 HydrophobicContact CD2-CD2 3.83Å; L86-L400 HydrophobicContact CG-CD2 3.85Å
87	Y	87.9	Confident	75.7	Confident	3 Å²	3	50.2 Å²	50.2	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-44.7	173.7	170.7	-91.3	0	0	0	112	M83 V84 D85 T90 Q91 L108 A333 L390 L400	M83-Y87 WeakPolarHBondContact O-CB 3.08Å; M83-Y87 PolarHBondContact O-N 3.17Å; V84-Y87 PolarHBondContact O-N 3.18Å; D85-Y87 VanDerWaalsContact C-N 3.26Å; D85-Y87 PolarHBondContact O-N 3.07Å; Y87-T90 PolarHBondContact O-N 3.4Å; Y87-T90 PolarHBondContact O-OG1 3.34Å; Y87-Q91 HydrophobicContact CD1-CG 4.31Å; Y87-Q91 HydrophobicContact CE1-CG 3.76Å; Y87-Q91 HydrophobicContact CE2-CG 4.34Å; Y87-Q91 WeakPolarHBondContact O-CG 3.18Å; Y87-Q91 PolarHBondContact O-N 3.44Å; Y87-L108 HydrophobicContact CD1-CD2 4.14Å; Y87-L108 HydrophobicContact CE1-CD1 4.23Å; Y87-L108 HydrophobicContact CE1-CD2 3.88Å; Y87-A333 HydrophobicContact CD1-CB 4.02Å; Y87-A333 HydrophobicContact CD2-CB 4.44Å; Y87-A333 HydrophobicContact CE1-CB 3.75Å; Y87-A333 HydrophobicContact CE2-CB 4.17Å; Y87-A333 HydrophobicContact CG-CB 4.37Å; Y87-L390 HydrophobicContact CD2-CB 4.06Å; Y87-L390 HydrophobicContact CG-CB 4.4Å; Y87-L400 HydrophobicContact CD2-CD1 3.69Å; Y87-L400 HydrophobicContact CG-CD1 4.42Å
88	R	86	Confident	73.8	Confident	97 Å²	97	55.9 Å²	55.9	37%	0.366	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-42.8	179.2	-71.3	172.9	-171.9	-176.2	6.9	111.6	V84 D85 L86 T90 Q91 D92	V84-R88 WeakPolarHBondContact O-CG 3.45Å; V84-R88 PolarHBondContact O-N 3.07Å; D85-R88 WeakPolarHBondContact O-CA 3.19Å; D85-R88 WeakPolarHBondContact O-CB 3.25Å; D85-R88 PolarHBondContact O-N 3.39Å; L86-R88 PolarHBondContact O-N 2.7Å; R88-T90 VanDerWaalsContact C-N 3.25Å; R88-T90 PolarHBondContact O-N 3.49Å; R88-Q91 WeakPolarHBondContact O-CB 3.16Å; R88-Q91 PolarHBondContact O-N 2.99Å; R88-D92 PolarHBondContact O-N 3.47Å
89	D	81.9	Confident	71.8	Confident	87 Å²	87	56 Å²	56	47%	0.465	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-37.2	177.9	-65.2	-15.8	0	0	0	111	D85 L86 Q91 D92 W133	D85-D89 PolarHBondContact O-N 3.33Å; L86-D89 PolarHBondContact O-N 3.49Å; D89-Q91 VanDerWaalsContact C-N 3.3Å; D89-Q91 PolarHBondContact O-N 3.38Å; D89-D92 PolarHBondContact O-N 3.49Å; D89-W133 HydrophobicContact CB-CH2 4.42Å
90	T	78.3	Confident	69.4	Low	18 Å²	18	62 Å²	62	11%	0.11	34%	0.341	C	S	.	.	H	α-helix	trans	-67.4	-26.6	174.2	73	0	0	0	0	114.1	L86 Y87 R88 W133 L400	L86-T90 WeakPolarHBondContact O-CG2 3.45Å; L86-T90 PolarHBondContact O-N 3.07Å; L86-T90 VanDerWaalsContact O-N 3.1Å; Y87-T90 PolarHBondContact O-N 3.4Å; Y87-T90 PolarHBondContact O-OG1 3.34Å; R88-T90 VanDerWaalsContact C-N 3.25Å; R88-T90 PolarHBondContact O-N 3.49Å; T90-W133 HydrophobicContact CG2-CE3 4.49Å; T90-W133 HydrophobicContact CG2-CH2 4.15Å; T90-W133 HydrophobicContact CG2-CZ3 3.67Å; T90-L400 HydrophobicContact CG2-CD2 4.09Å
91	Q	73.6	Confident	67.3	Low	23 Å²	23	63.6 Å²	63.6	11%	0.107	35%	0.348	C	S	.	.	H	α-helix	trans	-77.3	-32.6	-179.4	-68.8	-62.1	-74.6	0	0	112.1	Y87 R88 D89 E93 E94 N95	Y87-Q91 HydrophobicContact CD1-CG 4.31Å; Y87-Q91 HydrophobicContact CE1-CG 3.76Å; Y87-Q91 HydrophobicContact CE2-CG 4.34Å; Y87-Q91 WeakPolarHBondContact O-CG 3.18Å; Y87-Q91 PolarHBondContact O-N 3.44Å; R88-Q91 WeakPolarHBondContact O-CB 3.16Å; R88-Q91 PolarHBondContact O-N 2.99Å; D89-Q91 VanDerWaalsContact C-N 3.3Å; D89-Q91 PolarHBondContact O-N 3.38Å; Q91-E93 PolarHBondContact O-N 2.03Å; Q91-E94 PolarHBondContact NE2-OE2 3.38Å; Q91-E94 PolarHBondContact O-N 2.81Å; Q91-N95 PolarHBondContact O-N 2.89Å; Q91-N95 PolarHBondContact O-ND2 2.88Å
92	D	62.4	Low	65.1	Low	128 Å²	128	68.7 Å²	68.7	68%	0.684	37%	0.372	S	S	*	.	H	α-helix	trans	-65.4	-27.3	179	-75.8	-19.6	0	0	0	112	R88 D89	R88-D92 PolarHBondContact O-N 3.47Å; D89-D92 PolarHBondContact O-N 3.49Å
93	E	57.2	Low	63	Low	144 Å²	144	74.3 Å²	74.3	67%	0.673	40%	0.403	S	S	*	.	H	α-helix	trans	-76.8	-33.8	173.6	-61.9	-165.5	154.3	0	0	113.9	Q91 N95	Q91-E93 PolarHBondContact O-N 2.03Å; E93-N95 VanDerWaalsContact C-N 3.35Å
94	E	55.7	Low	60.9	Low	48 Å²	48	79.2 Å²	79.2	22%	0.224	43%	0.428	C	S	.	.	H	α-helix	trans	-79.9	-16.4	-177.8	-69.5	-168.8	149.3	0	0	113.4	Q91 D96 S386	Q91-E94 PolarHBondContact NE2-OE2 3.38Å; Q91-E94 PolarHBondContact O-N 2.81Å; E94-D96 PolarHBondContact O-N 3.31Å; E94-S386 PolarHBondContact OE1-OG 2.85Å
95	N	49.8	Very low	58.5	Low	79 Å²	79	81.5 Å²	81.5	42%	0.422	44%	0.44	S	S	.	.			trans	-80.5	31.8	-172.4	-79.3	-31.3	0	0	0	115.5	Q91 E93 V97	Q91-N95 PolarHBondContact O-N 2.89Å; Q91-N95 PolarHBondContact O-ND2 2.88Å; E93-N95 VanDerWaalsContact C-N 3.35Å; N95-V97 PolarHBondContact O-N 3.38Å
96	D	42.1	Very low	56.1	Low	141 Å²	141	89.4 Å²	89.4	75%	0.754	47%	0.467	S	S	*	.			trans	-71.9	33.2	161.1	-157.5	20.3	0	0	0	112	E94 T98	E94-D96 PolarHBondContact O-N 3.31Å; D96-T98 PolarHBondContact O-N 3.34Å; D96-T98 VanDerWaalsContact O-N 3.16Å
97	V	45.2	Very low	53.8	Low	56 Å²	56	94.8 Å²	94.8	34%	0.339	50%	0.496	S	S	.	.			trans	-83.2	85.5	173.5	-176.2	0	0	0	0	107.7	N95 G99 K409	N95-V97 PolarHBondContact O-N 3.38Å; V97-G99 VanDerWaalsContact C-N 3.33Å; V97-G99 PolarHBondContact O-N 3.31Å; V97-K409 VanDerWaalsContact CG2-NZ 3.3Å
98	T	37.5	Very low	51.6	Low	142 Å²	142	97 Å²	97	87%	0.871	51%	0.508	S	S	*	.			trans	-66.1	91.2	164.5	15.2	0	0	0	0	109	D96	D96-T98 PolarHBondContact O-N 3.34Å; D96-T98 VanDerWaalsContact O-N 3.16Å
99	G	41.5	Very low	49.1	Very low	35 Å²	35	95.1 Å²	95.1	36%	0.361	51%	0.508	S	S	.	.	S	Bend	trans	-176.4	165.7	176.2	0	0	0	0	0	113.6	V97 D101	V97-G99 VanDerWaalsContact C-N 3.33Å; V97-G99 PolarHBondContact O-N 3.31Å; G99-D101 PolarHBondContact O-N 2.76Å
100	P	40.6	Very low	47.1	Very low	127 Å²	127	100.5 Å²	100.5	83%	0.825	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-67.7	8.6	-176.5	26.7	-32.6	0	0	0	115.3	M102	P100-M102 VanDerWaalsContact C-N 3.34Å; P100-M102 PolarHBondContact O-N 2.73Å
101	D	44.3	Very low	45.1	Very low	57 Å²	57	104.3 Å²	104.3	31%	0.305	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-87.3	10.4	-174.3	-73.8	-19.7	0	0	0	114.7	G99 L103 L104 Y340	G99-D101 PolarHBondContact O-N 2.76Å; D101-L103 PolarHBondContact O-N 3.37Å; D101-L104 PolarHBondContact O-N 3.47Å; D101-Y340 PolarHBondContact OD2-OH 2.7Å
102	M	39.7	Very low	43.2	Very low	162 Å²	162	106.9 Å²	106.9	80%	0.798	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-50.5	-21.6	173.7	-92.3	-103.5	-165.1	0	0	114.5	P100	P100-M102 VanDerWaalsContact C-N 3.34Å; P100-M102 PolarHBondContact O-N 2.73Å
103	L	43.6	Very low	41.9	Very low	141 Å²	141	107.1 Å²	107.1	74%	0.738	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-85.2	-17	-172.1	-64.4	176	0	0	0	114.9	D101	D101-L103 PolarHBondContact O-N 3.37Å
104	L	46.6	Very low	40.8	Very low	102 Å²	102	104.1 Å²	104.1	53%	0.534	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88	-36.4	-173	-69.6	174.8	0	0	0	113.9	D101	D101-L104 PolarHBondContact O-N 3.47Å
105	N	40.6	Very low	39.6	Very low	71 Å²	71	105.5 Å²	105.5	38%	0.38	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.9	-12.8	-178	-98.4	11.8	0	0	0	114.4	N107	N105-N107 PolarHBondContact O-N 2.9Å
106	R	37.8	Very low	38.4	Very low	207 Å²	207	107.5 Å²	107.5	78%	0.781	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-5.2	-176	-163.6	172.7	150	138.9	-2.3	113.9
107	N	36.8	Very low	38	Very low	123 Å²	123	108.1 Å²	108.1	66%	0.658	57%	0.568	S	S	*	*			trans	-99.6	41.4	179.1	-63.2	-32.8	0	0	0	112.6	N105	N105-N107 PolarHBondContact O-N 2.9Å
108	L	42.3	Very low	37.3	Very low	50 Å²	50	113.7 Å²	113.7	26%	0.262	59%	0.59	S	S	.	*			trans	-55.1	136.1	155.5	-92.1	91.5	0	0	0	107.2	Y87 R110 A333	Y87-L108 HydrophobicContact CD1-CD2 4.14Å; Y87-L108 HydrophobicContact CE1-CD1 4.23Å; Y87-L108 HydrophobicContact CE1-CD2 3.88Å; L108-R110 PolarHBondContact O-N 2.89Å; L108-A333 HydrophobicContact CD2-CB 4.2Å
109	P	34.3	Very low	37.3	Very low	57 Å²	57	112 Å²	112	37%	0.37	57%	0.568	S	S	.	*			trans	-50.4	116.2	162.5	-20.7	31	0	0	0	106.6	H111	P109-H111 WeakPolarHBondContact CB-O 3.3Å; P109-H111 PolarHBondContact O-N 3.04Å
110	R	39.9	Very low	36.6	Very low	200 Å²	200	117.1 Å²	117.1	76%	0.755	59%	0.587	S	S	*	*	S	Bend	trans	-55.8	-14.5	168.9	-82.9	-169.7	176.8	129.1	-4.3	111.6	L108	L108-R110 PolarHBondContact O-N 2.89Å
111	H	35.1	Very low	36.2	Very low	98 Å²	98	118.8 Å²	118.8	45%	0.454	59%	0.589	S	S	.	*	S	Bend	trans	-143.3	114.1	-173.5	-52.9	90.1	0	0	0	106.8	P109 N116	P109-H111 WeakPolarHBondContact CB-O 3.3Å; P109-H111 PolarHBondContact O-N 3.04Å; H111-N116 PolarHBondContact CD2-OD1 3.35Å
112	F	34.3	Very low	35.5	Very low	76 Å²	76	124.5 Å²	124.5	33%	0.333	62%	0.616	S	S	.	*			trans	-55.4	136.8	152	-123.4	-101.1	0	0	0	106	A114 Y115 I332	F112-A114 CarbonylContact O-C 3.54Å; F112-A114 PolarHBondContact O-N 3.21Å; F112-Y115 PolarHBondContact O-N 2.82Å; F112-Y115 VanDerWaalsContact O-N 3.12Å; F112-I332 HydrophobicContact CD2-CG2 3.93Å; F112-I332 HydrophobicContact CE2-CB 4.04Å; F112-I332 HydrophobicContact CE2-CG2 3.45Å; F112-I332 VanDerWaalsContact CE2-CG2 3.45Å; F112-I332 WeakPolarHBondContact CE2-O 3.21Å; F112-I332 HydrophobicContact CZ-CB 4.26Å; F112-I332 HydrophobicContact CZ-CG1 4.45Å; F112-I332 HydrophobicContact CZ-CG2 4.08Å
113	P	35.8	Very low	35.6	Very low	134 Å²	134	120.9 Å²	120.9	87%	0.87	60%	0.599	S	S	*	*	S	Bend	trans	-61.7	-12.2	-173.7	19	-29.3	0	0	0	113.9
114	A	32.7	Very low	35.5	Very low	81 Å²	81	117.2 Å²	117.2	67%	0.669	59%	0.585	S	S	*	*	S	Bend	trans	-91.2	94.5	152	0	0	0	0	0	107.7	F112	F112-A114 CarbonylContact O-C 3.54Å; F112-A114 PolarHBondContact O-N 3.21Å
115	Y	30.3	Very low	35.6	Very low	77 Å²	77	116.1 Å²	116.1	30%	0.302	58%	0.577	S	S	.	*			trans	129.8	137.7	141.9	-148.4	-123.8	0	0	0	118.2	P75 F112 F117	P75-Y115 VanDerWaalsContact C-OH 3.31Å; P75-Y115 WeakPolarHBondContact CA-OH 3.01Å; P75-Y115 HydrophobicContact CB-CD2 4.41Å; P75-Y115 HydrophobicContact CB-CE1 4.34Å; P75-Y115 HydrophobicContact CB-CE2 3.3Å; P75-Y115 WeakPolarHBondContact CB-OH 3.02Å; P75-Y115 HydrophobicContact CG-CE2 4.48Å; P75-Y115 VanDerWaalsContact O-CE1 3.25Å; P75-Y115 WeakPolarHBondContact O-CE1 3.5Å; P75-Y115 PolarHBondContact O-OH 2.96Å; F112-Y115 PolarHBondContact O-N 2.82Å; F112-Y115 VanDerWaalsContact O-N 3.12Å; Y115-F117 HydrophobicContact CE1-CB 4.07Å
116	N	25.7	Very low	36	Very low	120 Å²	120	114.7 Å²	114.7	64%	0.642	57%	0.571	S	S	*	*			trans	-128.1	111.3	-179.3	-79.7	-20.4	0	0	0	107.8	H111	H111-N116 PolarHBondContact CD2-OD1 3.35Å
117	F	32.5	Very low	36.3	Very low	155 Å²	155	106.2 Å²	106.2	68%	0.68	55%	0.548	S	S	*	.			trans	-140.5	118.5	157.2	-167.7	-100.5	0	0	0	110.3	Y115 R119	Y115-F117 HydrophobicContact CE1-CB 4.07Å; F117-R119 HydrophobicContact CD1-CG 4.38Å; F117-R119 PolarHBondContact O-N 2.81Å
118	E	31.3	Very low	37	Very low	172 Å²	172	109.3 Å²	109.3	80%	0.804	56%	0.556	S	S	*	*			trans	-68.3	97.1	174.3	-68.4	179.4	160.2	0	0	109.2	N120	E118-N120 PolarHBondContact O-N 3.41Å
119	R	36.8	Very low	37.6	Very low	106 Å²	106	110.6 Å²	110.6	40%	0.4	56%	0.563	S	S	.	*			trans	-72.3	90	171.9	-101	-165.1	-84.3	-172.5	-4.6	110.7	D85 F117	D85-R119 VanDerWaalsContact CG-NH2 3.27Å; D85-R119 IonicContact OD1-CZ 3.79Å; D85-R119 IonicContact OD1-NH2 3.07Å; D85-R119 PolarHBondContact OD1-NH2 3.38Å; D85-R119 IonicContact OD2-CZ 2.71Å; D85-R119 IonicContact OD2-NH1 3.94Å; D85-R119 PolarHBondContact OD2-NH1 2.89Å; D85-R119 IonicContact OD2-NH2 2.82Å; D85-R119 PolarHBondContact OD2-NH2 3.34Å; F117-R119 HydrophobicContact CD1-CG 4.38Å; F117-R119 PolarHBondContact O-N 2.81Å
120	N	28.1	Very low	38.6	Very low	144 Å²	144	111.5 Å²	111.5	77%	0.77	56%	0.564	S	S	*	*			trans	-100.9	107.2	161.9	-81.2	-27.5	0	0	0	109.9	E118	E118-N120 PolarHBondContact O-N 3.41Å
121	N	32.6	Very low	39.5	Very low	161 Å²	161	103.8 Å²	103.8	86%	0.861	54%	0.536	S	S	*	.	S	Bend	trans	53.5	69.7	137.3	-149.4	33.6	0	0	0	118.2
122	M	28.7	Very low	41	Very low	178 Å²	178	104.5 Å²	104.5	88%	0.877	54%	0.543	S	S	*	.			trans	-171.2	31.7	162	-116.5	179.3	158.9	0	0	116.6	S124	M122-S124 PolarHBondContact O-N 3.42Å
123	I	41.4	Very low	42.6	Very low	86 Å²	86	103.3 Å²	103.3	44%	0.441	54%	0.536	S	S	.	.			trans	-86.9	105.4	178.4	-55	176.9	0	0	0	108.9
124	S	41.5	Very low	44.2	Very low	63 Å²	63	100.3 Å²	100.3	44%	0.441	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.9	160.7	-172.2	0	0	0	0	107.2	M122 K217 W219	M122-S124 PolarHBondContact O-N 3.42Å; S124-K217 WeakPolarHBondContact CB-O 3.43Å; S124-W219 PolarHBondContact O-N 3.39Å
125	E	50.2	Low	46.2	Very low	79 Å²	79	102.7 Å²	102.7	37%	0.369	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	118.2	174	-176.5	165.2	-149.3	0	0	108.2	G127 R174 W219 V221	E125-G127 WeakPolarHBondContact CG-O 3.35Å; E125-R174 IonicContact OE1-CZ 3.02Å; E125-R174 IonicContact OE1-NH1 3.92Å; E125-R174 PolarHBondContact OE1-NH1 2.93Å; E125-R174 IonicContact OE1-NH2 2.64Å; E125-W219 HydrophobicContact CG-CB 4.26Å; E125-V221 HydrophobicContact CG-CG2 4.48Å
126	V	48.9	Very low	48.8	Very low	42 Å²	42	99.7 Å²	99.7	26%	0.255	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.8	174.5	177.6	0	0	0	0	107.9	V212 T216 W219 V221	V126-V212 HydrophobicContact CG1-CG1 4.15Å; V126-T216 HydrophobicContact CG2-CG2 3.52Å; V126-W219 PolarHBondContact N-O 2.94Å; V126-V221 PolarHBondContact O-N 2.91Å
127	G	44.4	Very low	51.7	Low	28 Å²	28	96.5 Å²	96.5	29%	0.289	49%	0.49	S	S	.	.	S	Bend	trans	95.4	96.2	-163.5	0	0	0	0	0	109	E125	E125-G127 WeakPolarHBondContact CG-O 3.35Å
128	F	49.9	Very low	54.5	Low	189 Å²	189	89.4 Å²	89.4	83%	0.829	46%	0.459	S	S	*	.			trans	-43.8	153.8	165.4	-93	-102.4	0	0	0	110.5	L130	F128-L130 PolarHBondContact O-N 3.27Å
129	D	54.7	Low	57.5	Low	77 Å²	77	81.5 Å²	81.5	41%	0.412	42%	0.423	S	S	.	.			trans	-40.6	107.1	163.4	-77.2	-30	0	0	0	108.6	F131 R174	D129-F131 PolarHBondContact O-N 3.27Å; D129-F131 VanDerWaalsContact O-N 3.13Å; D129-R174 IonicContact OD1-CZ 2.91Å; D129-R174 IonicContact OD1-NH2 3.54Å; D129-R174 PolarHBondContact OD1-NH2 3.18Å
130	L	57	Low	60.2	Low	75 Å²	75	77.1 Å²	77.1	39%	0.393	41%	0.407	S	S	.	.	S	Bend	trans	-69.8	-15.3	-168.4	-71.8	174.7	0	0	0	111.2	F128 E172 V221 N223	F128-L130 PolarHBondContact O-N 3.27Å; L130-E172 HydrophobicContact CD1-CB 4.34Å; L130-V221 HydrophobicContact CD1-CG1 3.78Å; L130-V221 HydrophobicContact CG-CG1 4.13Å; L130-N223 HydrophobicContact CD1-CB 4.16Å
131	F	58.8	Low	63.3	Low	39 Å²	39	70.3 Å²	70.3	17%	0.171	37%	0.371	C	S	.	.	S	Bend	trans	-138.4	135.9	-171.3	-57	-77	0	0	0	110.6	D129 W133 A171 T225 Y268	D129-F131 PolarHBondContact O-N 3.27Å; D129-F131 VanDerWaalsContact O-N 3.13Å; F131-W133 PolarHBondContact O-N 2.82Å; F131-A171 WeakPolarHBondContact CE2-O 3.22Å; F131-T225 WeakPolarHBondContact CZ-OG1 3.47Å; F131-Y268 HydrophobicContact CB-CD2 4.07Å; F131-Y268 HydrophobicContact CB-CE2 4.1Å; F131-Y268 HydrophobicContact CD2-CD2 4.14Å; F131-Y268 AromaticContact CD2-CE2 3.96Å; F131-Y268 HydrophobicContact CD2-CE2 3.96Å; F131-Y268 HydrophobicContact CG-CD2 4.29Å; F131-Y268 HydrophobicContact CG-CE2 4.39Å
132	D	66.3	Low	66.2	Low	112 Å²	112	62.6 Å²	62.6	60%	0.599	33%	0.33	S	S	*	.			trans	-72.7	109.1	164.1	-176.5	-3.6	0	0	0	108.4	S134	D132-S134 VanDerWaalsContact C-N 3.32Å; D132-S134 VanDerWaalsContact CG-OG 3.25Å; D132-S134 VanDerWaalsContact OD1-CB 3.24Å; D132-S134 WeakPolarHBondContact OD1-CB 3.48Å; D132-S134 PolarHBondContact OD1-N 3.06Å; D132-S134 PolarHBondContact OD1-OG 3.06Å; D132-S134 PolarHBondContact OD2-OG 3.42Å
133	W	68	Low	69.3	Low	51 Å²	51	54.4 Å²	54.4	19%	0.193	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-87.2	-0.8	-176.7	51.7	-96.3	0	0	0	113.1	L86 D89 T90 F131 E135 A136 Y268	L86-W133 HydrophobicContact CD1-CD2 4.12Å; L86-W133 HydrophobicContact CD1-CZ2 4.11Å; D89-W133 HydrophobicContact CB-CH2 4.42Å; T90-W133 HydrophobicContact CG2-CE3 4.49Å; T90-W133 HydrophobicContact CG2-CH2 4.15Å; T90-W133 HydrophobicContact CG2-CZ3 3.67Å; F131-W133 PolarHBondContact O-N 2.82Å; W133-E135 PolarHBondContact O-N 2.94Å; W133-A136 VanDerWaalsContact O-CB 3.32Å; W133-A136 WeakPolarHBondContact O-CB 3.47Å; W133-A136 PolarHBondContact O-N 2.98Å; W133-Y268 HydrophobicContact CB-CD1 3.59Å; W133-Y268 HydrophobicContact CB-CE1 3.55Å; W133-Y268 HydrophobicContact CG-CE1 4.27Å
134	S	68.9	Low	71.6	Confident	71 Å²	71	51.4 Å²	51.4	50%	0.497	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-61.1	-25.1	178.8	64.2	0	0	0	0	113.4	D132	D132-S134 VanDerWaalsContact C-N 3.32Å; D132-S134 VanDerWaalsContact CG-OG 3.25Å; D132-S134 VanDerWaalsContact OD1-CB 3.24Å; D132-S134 WeakPolarHBondContact OD1-CB 3.48Å; D132-S134 PolarHBondContact OD1-N 3.06Å; D132-S134 PolarHBondContact OD1-OG 3.06Å; D132-S134 PolarHBondContact OD2-OG 3.42Å
135	E	73.9	Confident	73.6	Confident	131 Å²	131	51 Å²	51	61%	0.612	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-84.5	-6.6	175.2	-62.4	-169.1	172.2	0	0	114	W133 I169	W133-E135 PolarHBondContact O-N 2.94Å; E135-I169 HydrophobicContact CB-CD1 4.15Å
136	A	85.1	Confident	75	Confident	15 Å²	15	50.1 Å²	50.1	12%	0.124	26%	0.262	C	S	.	.			trans	-83.2	124.1	-177	0	0	0	0	0	111.6	W133 T138 V139 I169 F269	W133-A136 VanDerWaalsContact O-CB 3.32Å; W133-A136 WeakPolarHBondContact O-CB 3.47Å; W133-A136 PolarHBondContact O-N 2.98Å; A136-T138 VanDerWaalsContact C-N 3.35Å; A136-V139 HydrophobicContact CB-CG2 4.17Å; A136-I169 HydrophobicContact CB-CD1 4.1Å; A136-F269 CarbonylContact C-O 3.13Å
137	D	87.7	Confident	75.8	Confident	53 Å²	53	56.8 Å²	56.8	28%	0.283	29%	0.291	S	S	.	.	S	Bend	trans	-77.2	-27	170.4	-63.1	-54.2	0	0	0	111.7	F269 A271 K402	D137-F269 PolarHBondContact N-O 2.88Å; D137-A271 PolarHBondContact OD2-N 3.45Å; D137-K402 PolarHBondContact O-N 2.93Å
138	T	91.2	Very high	76.4	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	125.3	-177.1	-57.2	0	0	0	0	110	A136 M140 F269 V399 L400 K401	A136-T138 VanDerWaalsContact C-N 3.35Å; T138-M140 HydrophobicContact CG2-CG 3.79Å; T138-M140 HydrophobicContact CG2-SD 4.41Å; T138-F269 PolarHBondContact N-O 2.95Å; T138-F269 WeakPolarHBondContact O-CA 3.47Å; T138-F269 WeakPolarHBondContact O-CB 3.25Å; T138-F269 PolarHBondContact O-N 3.44Å; T138-V399 HydrophobicContact CG2-CG1 3.74Å; T138-L400 CarbonylContact C-O 3.6Å; T138-L400 WeakPolarHBondContact CA-O 3.49Å; T138-K401 HydrophobicContact CG2-CB 4.28Å; T138-K401 HydrophobicContact CG2-CD 4.33Å; T138-K401 HydrophobicContact CG2-CG 4.47Å; T138-K401 WeakPolarHBondContact OG1-CD 3.46Å; T138-K401 WeakPolarHBondContact OG1-CG 3.46Å
139	V	92.7	Very high	76.4	Confident	6 Å²	6	54.1 Å²	54.1	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124	169.9	-171.5	0	0	0	0	107.6	M83 L86 A136 V266 G267 Y268 L400	M83-V139 HydrophobicContact CE-CB 4.37Å; M83-V139 HydrophobicContact CE-CG1 4.09Å; L86-V139 HydrophobicContact CD2-CB 4.2Å; L86-V139 HydrophobicContact CD2-CG1 3.81Å; L86-V139 HydrophobicContact CD2-CG2 4.25Å; A136-V139 HydrophobicContact CB-CG2 4.17Å; V139-V266 HydrophobicContact CG1-CG1 3.57Å; V139-G267 WeakPolarHBondContact CA-O 3.16Å; V139-Y268 HydrophobicContact CB-CD1 4.43Å; V139-Y268 HydrophobicContact CG1-CD1 3.84Å; V139-Y268 HydrophobicContact CG1-CE1 3.83Å; V139-Y268 HydrophobicContact CG2-CD1 3.86Å; V139-Y268 HydrophobicContact CG2-CE1 4.3Å; V139-L400 HydrophobicContact CB-CB 4.25Å; V139-L400 PolarHBondContact N-O 3.33Å; V139-L400 PolarHBondContact O-N 3.4Å
140	M	93.8	Very high	76.3	Confident	15 Å²	15	58.5 Å²	58.5	7%	0.074	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.1	178.9	-56.3	-178.7	68.8	0	0	109.1	T138 F142 V162 V266 G267 F269 V399	T138-M140 HydrophobicContact CG2-CG 3.79Å; T138-M140 HydrophobicContact CG2-SD 4.41Å; M140-F142 HydrophobicContact CB-CE1 4.45Å; M140-F142 HydrophobicContact CB-CE2 4.05Å; M140-F142 HydrophobicContact CB-CZ 3.79Å; M140-F142 HydrophobicContact CE-CE1 4.33Å; M140-F142 HydrophobicContact CE-CZ 4.43Å; M140-F142 HydrophobicContact SD-CZ 4.43Å; M140-V162 HydrophobicContact CE-CG2 4.46Å; M140-V162 HydrophobicContact SD-CG2 4.19Å; M140-V266 CarbonylContact O-C 3.48Å; M140-V266 WeakPolarHBondContact O-CA 3.29Å; M140-G267 PolarHBondContact N-O 2.86Å; M140-G267 PolarHBondContact O-N 3.49Å; M140-F269 HydrophobicContact CB-CD2 4.41Å; M140-F269 HydrophobicContact CB-CE2 4.02Å; M140-F269 HydrophobicContact CG-CD2 4.08Å; M140-F269 HydrophobicContact CG-CE2 4.07Å; M140-F269 HydrophobicContact SD-CD2 4.23Å; M140-F269 HydrophobicContact SD-CE2 4.06Å; M140-V399 HydrophobicContact CE-CG2 3.87Å; M140-V399 HydrophobicContact CG-CG1 4.13Å; M140-V399 HydrophobicContact CG-CG2 4.15Å
141	S	94.1	Very high	76.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.4	169.7	65.5	0	0	0	0	111.6	L79 M83 I265 N397 V398	L79-S141 WeakPolarHBondContact CD2-OG 3.11Å; M83-S141 WeakPolarHBondContact CG-OG 3.49Å; S141-I265 CarbonylContact C-O 3.52Å; S141-I265 WeakPolarHBondContact CA-O 3.36Å; S141-N397 VanDerWaalsContact O-CA 3.25Å; S141-N397 WeakPolarHBondContact O-CA 3.4Å; S141-N397 WeakPolarHBondContact O-CB 3.29Å; S141-V398 PolarHBondContact N-O 3.02Å; S141-V398 PolarHBondContact O-N 2.98Å; S141-V398 VanDerWaalsContact O-N 3.11Å; S141-V398 WeakPolarHBondContact OG-CB 3.33Å; S141-V398 PolarHBondContact OG-O 3.08Å
142	F	94.1	Very high	76.5	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	109.6	-173.2	-53.3	-84.5	0	0	0	108.9	M140 Y157 D158 V159 V162 L228 F264 I265 F269 N397	M140-F142 HydrophobicContact CB-CE1 4.45Å; M140-F142 HydrophobicContact CB-CE2 4.05Å; M140-F142 HydrophobicContact CB-CZ 3.79Å; M140-F142 HydrophobicContact CE-CE1 4.33Å; M140-F142 HydrophobicContact CE-CZ 4.43Å; M140-F142 HydrophobicContact SD-CZ 4.43Å; F142-Y157 HydrophobicContact CB-CD1 4.28Å; F142-Y157 VanDerWaalsContact O-CD1 3.23Å; F142-Y157 WeakPolarHBondContact O-CD1 3.29Å; F142-D158 VanDerWaalsContact CD1-O 3.27Å; F142-D158 WeakPolarHBondContact CD1-O 3.48Å; F142-V159 HydrophobicContact CD1-CG1 3.93Å; F142-V159 HydrophobicContact CE1-CB 4.18Å; F142-V159 HydrophobicContact CE1-CG1 3.97Å; F142-V159 HydrophobicContact CG-CG1 4.28Å; F142-V159 HydrophobicContact CZ-CG1 4.35Å; F142-V162 HydrophobicContact CE1-CG2 3.97Å; F142-V162 HydrophobicContact CZ-CG2 3.7Å; F142-L228 HydrophobicContact CD2-CD1 4.38Å; F142-L228 HydrophobicContact CE2-CD1 4.04Å; F142-L228 HydrophobicContact CE2-CD2 3.95Å; F142-L228 HydrophobicContact CZ-CD1 4.44Å; F142-F264 WeakPolarHBondContact O-CB 3.32Å; F142-I265 HydrophobicContact CB-CB 4.33Å; F142-I265 HydrophobicContact CD2-CB 4.14Å; F142-I265 HydrophobicContact CD2-CG2 4.01Å; F142-I265 PolarHBondContact N-O 3.03Å; F142-I265 PolarHBondContact O-N 3.42Å; F142-I265 VanDerWaalsContact O-N 3.15Å; F142-F269 HydrophobicContact CE2-CE2 4.41Å; F142-F269 HydrophobicContact CZ-CE2 4.3Å; F142-F269 HydrophobicContact CZ-CZ 4.34Å; F142-N397 HydrophobicContact CD1-CB 4.48Å; F142-N397 WeakPolarHBondContact CD1-OD1 3.38Å
143	P	92	Very high	77.2	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.032	31%	0.309	C	S	.	.			trans	-71.6	159	176.4	27.1	-30.2	0	0	0	111.7	L79 H145 Y157 N397	L79-P143 HydrophobicContact CD1-CB 3.8Å; L79-P143 HydrophobicContact CD1-CG 4.39Å; P143-H145 PolarHBondContact O-CD2 3.17Å; P143-H145 VanDerWaalsContact O-CD2 3.27Å; P143-H145 PolarHBondContact O-N 3.22Å; P143-Y157 WeakPolarHBondContact O-CD1 3.45Å; P143-N397 WeakPolarHBondContact CD-OD1 3.44Å
144	N	89.5	Confident	78.2	Confident	23 Å²	23	63.3 Å²	63.3	12%	0.123	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-71.6	122.1	170.4	-179	29.2	0	0	0	110.6	M146 N148 Y155 R156 Y157	N144-M146 PolarHBondContact ND2-O 3.29Å; N144-M146 VanDerWaalsContact ND2-O 3.15Å; N144-M146 PolarHBondContact OD1-N 3.34Å; N144-M146 VanDerWaalsContact OD1-N 3.14Å; N144-N148 PolarHBondContact ND2-OD1 3.08Å; N144-Y155 HydrophobicContact CB-CD1 4.17Å; N144-Y155 WeakPolarHBondContact ND2-CD1 3.44Å; N144-Y155 WeakPolarHBondContact OD1-CA 3.42Å; N144-R156 PolarHBondContact OD1-N 3.18Å; N144-R156 PolarHBondContact OD1-O 2.76Å; N144-Y157 HydrophobicContact CB-CE1 4.12Å
145	H	85.3	Confident	79.2	Confident	54 Å²	54	60.6 Å²	60.6	25%	0.25	30%	0.301	C	S	.	.			trans	-92.7	-1.7	178.7	-71.6	-164	0	0	0	113.4	P143 R156 D158 H395	P143-H145 PolarHBondContact O-CD2 3.17Å; P143-H145 VanDerWaalsContact O-CD2 3.27Å; P143-H145 PolarHBondContact O-N 3.22Å; H145-R156 PolarHBondContact N-O 2.86Å; H145-D158 WeakPolarHBondContact CE1-CB 3.47Å; H145-D158 WeakPolarHBondContact ND1-CB 3.31Å; H145-H395 PolarHBondContact CE1-O 2.58Å; H145-H395 VanDerWaalsContact CE1-O 3.28Å; H145-H395 PolarHBondContact NE2-O 3.23Å
146	M	78.9	Confident	80	Confident	62 Å²	62	59.2 Å²	59.2	31%	0.305	29%	0.29	S	S	.	.	S	Bend	trans	-88.3	134.6	171.6	-73	179.3	62.1	0	0	109.9	N144 N148 R154 R156	N144-M146 PolarHBondContact ND2-O 3.29Å; N144-M146 VanDerWaalsContact ND2-O 3.15Å; N144-M146 PolarHBondContact OD1-N 3.34Å; N144-M146 VanDerWaalsContact OD1-N 3.14Å; M146-N148 PolarHBondContact O-N 2.85Å; M146-R154 HydrophobicContact CE-CB 3.53Å; M146-R154 HydrophobicContact SD-CB 3.99Å; M146-R156 HydrophobicContact CG-CB 3.72Å; M146-R156 HydrophobicContact SD-CB 3.8Å
147	E	66	Low	80.4	Confident	182 Å²	182	58.5 Å²	58.5	85%	0.85	28%	0.284	S	S	*	.			trans	-60	132.2	162	-69.8	-175.5	170.5	0	0	107.7	S149	E147-S149 PolarHBondContact O-N 3.41Å
148	N	55.7	Low	80.5	Confident	99 Å²	99	57.1 Å²	57.1	53%	0.529	28%	0.276	S	S	.	.			trans	-64.4	81.1	172.7	-69.9	-13.3	0	0	0	108.2	N144 M146 E150	N144-N148 PolarHBondContact ND2-OD1 3.08Å; M146-N148 PolarHBondContact O-N 2.85Å; N148-E150 PolarHBondContact O-N 3.1Å
149	S	50.6	Low	80.4	Confident	61 Å²	61	57.1 Å²	57.1	43%	0.427	28%	0.276	S	S	.	.			trans	-63.1	123.9	161.9	179.2	0	0	0	0	106.2	E147 E151 T152	E147-S149 PolarHBondContact O-N 3.41Å; S149-E151 PolarHBondContact O-N 2.91Å; S149-T152 PolarHBondContact O-N 3.09Å
150	E	52.7	Low	80.1	Confident	169 Å²	169	60.2 Å²	60.2	79%	0.79	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-23.1	178.8	-64.3	-175.4	161.8	0	0	112.4	N148	N148-E150 PolarHBondContact O-N 3.1Å
151	E	55	Low	79.7	Confident	177 Å²	177	62.2 Å²	62.2	83%	0.827	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-15.1	-175.6	-61.8	-175.6	169.3	0	0	114.5	S149	S149-E151 PolarHBondContact O-N 2.91Å
152	T	64.8	Low	79.3	Confident	57 Å²	57	63.2 Å²	63.2	35%	0.35	32%	0.315	S	S	.	.			trans	-125	113.5	-174	67.6	0	0	0	0	112.5	S149 R154	S149-T152 PolarHBondContact O-N 3.09Å; T152-R154 PolarHBondContact O-N 2.99Å
153	S	82	Confident	78.5	Confident	21 Å²	21	67 Å²	67	15%	0.147	33%	0.333	C	S	.	.			trans	-72.9	38.2	167.9	-49.1	0	0	0	0	113	E242 I243	S153-E242 WeakPolarHBondContact O-CA 3.44Å; S153-I243 WeakPolarHBondContact CB-O 3.26Å; S153-I243 PolarHBondContact O-N 3.15Å
154	R	88.1	Confident	77.5	Confident	124 Å²	124	73.7 Å²	73.7	47%	0.468	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.3	-176.3	-73	-173.3	-179.4	-178.9	0.9	110.9	M146 T152 L241	M146-R154 HydrophobicContact CE-CB 3.53Å; M146-R154 HydrophobicContact SD-CB 3.99Å; T152-R154 PolarHBondContact O-N 2.99Å; R154-L241 CarbonylContact C-O 3.48Å; R154-L241 VanDerWaalsContact CA-O 3.25Å; R154-L241 WeakPolarHBondContact CA-O 3.41Å
155	Y	90.6	Very high	76.7	Confident	14 Å²	14	74.3 Å²	74.3	6%	0.055	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.7	-176.9	-64.1	-96.4	0	0	0	109.4	N144 G240 L241 I243 A255 C263	N144-Y155 HydrophobicContact CB-CD1 4.17Å; N144-Y155 WeakPolarHBondContact ND2-CD1 3.44Å; N144-Y155 WeakPolarHBondContact OD1-CA 3.42Å; Y155-G240 CarbonylContact O-C 3.53Å; Y155-G240 WeakPolarHBondContact O-CA 3.37Å; Y155-L241 PolarHBondContact N-O 3.04Å; Y155-L241 PolarHBondContact O-N 3.27Å; Y155-I243 HydrophobicContact CD2-CB 4.23Å; Y155-I243 HydrophobicContact CD2-CD1 3.54Å; Y155-I243 HydrophobicContact CD2-CG1 3.62Å; Y155-I243 HydrophobicContact CE2-CB 3.88Å; Y155-I243 HydrophobicContact CE2-CD1 3.49Å; Y155-I243 VanDerWaalsContact CE2-CD1 3.49Å; Y155-I243 HydrophobicContact CE2-CG1 3.7Å; Y155-I243 HydrophobicContact CG-CD1 4.11Å; Y155-A255 WeakPolarHBondContact OH-CB 3.12Å; Y155-C263 HydrophobicContact CD1-CB 4.07Å; Y155-C263 HydrophobicContact CE1-CB 3.65Å
156	R	90.4	Very high	76.6	Confident	102 Å²	102	73.2 Å²	73.2	39%	0.385	38%	0.383	S	S	.	.			trans	-133.8	128.6	176.6	-168.3	174.2	-177.6	-89.2	-4.3	110.1	N144 H145 M146	N144-R156 PolarHBondContact OD1-N 3.18Å; N144-R156 PolarHBondContact OD1-O 2.76Å; H145-R156 PolarHBondContact N-O 2.86Å; M146-R156 HydrophobicContact CG-CB 3.72Å; M146-R156 HydrophobicContact SD-CB 3.8Å
157	Y	92.3	Very high	77.1	Confident	0 Å²	0	77 Å²	77	0%	0	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-116.8	132.9	-176.9	-56.6	-74.8	0	0	0	108.9	F142 P143 N144 L173 W231 N238 L241 C263 I265	F142-Y157 HydrophobicContact CB-CD1 4.28Å; F142-Y157 VanDerWaalsContact O-CD1 3.23Å; F142-Y157 WeakPolarHBondContact O-CD1 3.29Å; P143-Y157 WeakPolarHBondContact O-CD1 3.45Å; N144-Y157 HydrophobicContact CB-CE1 4.12Å; Y157-L173 HydrophobicContact CE2-CD1 4.25Å; Y157-L173 WeakPolarHBondContact OH-CD1 3.33Å; Y157-W231 HydrophobicContact CD2-CH2 4.3Å; Y157-W231 HydrophobicContact CD2-CZ3 4.19Å; Y157-N238 PolarHBondContact O-ND2 3.46Å; Y157-L241 HydrophobicContact CD2-CD1 4.32Å; Y157-L241 HydrophobicContact CE2-CD1 3.79Å; Y157-L241 HydrophobicContact CE2-CG 4.29Å; Y157-C263 PolarHBondContact OH-SG 3.19Å; Y157-I265 HydrophobicContact CD1-CD1 4.35Å; Y157-I265 HydrophobicContact CD1-CG1 4.26Å; Y157-I265 HydrophobicContact CD2-CD1 3.39Å; Y157-I265 HydrophobicContact CD2-CG1 4.03Å; Y157-I265 HydrophobicContact CE1-CG1 4.29Å; Y157-I265 HydrophobicContact CE2-CD1 3.76Å; Y157-I265 HydrophobicContact CE2-CG1 4.04Å; Y157-I265 HydrophobicContact CG-CD1 3.72Å; Y157-I265 HydrophobicContact CG-CG1 4.13Å
158	D	89.8	Confident	78.3	Confident	23 Å²	23	69.5 Å²	69.5	12%	0.123	36%	0.36	C	S	.	.			trans	-95.7	109.3	-179.8	-163	-18.2	0	0	0	111.6	F142 H145 S160 H395 N397	F142-D158 VanDerWaalsContact CD1-O 3.27Å; F142-D158 WeakPolarHBondContact CD1-O 3.48Å; H145-D158 WeakPolarHBondContact CE1-CB 3.47Å; H145-D158 WeakPolarHBondContact ND1-CB 3.31Å; D158-S160 WeakPolarHBondContact OD1-CB 3.41Å; D158-S160 PolarHBondContact OD1-N 3.16Å; D158-S160 VanDerWaalsContact OD1-N 3.1Å; D158-S160 PolarHBondContact OD1-OG 3.11Å; D158-H395 IonicContact OD2-CD2 3.56Å; D158-H395 PolarHBondContact OD2-CD2 3.1Å; D158-H395 VanDerWaalsContact OD2-CD2 3.24Å; D158-N397 PolarHBondContact O-ND2 3.42Å; D158-N397 PolarHBondContact O-OD1 2.77Å
159	V	90.4	Very high	79.8	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.03	35%	0.345	C	S	.	.			trans	-104.6	16.1	-175.9	-55.8	0	0	0	0	112.4	F142 D161 V162 L228 W231	F142-V159 HydrophobicContact CD1-CG1 3.93Å; F142-V159 HydrophobicContact CE1-CB 4.18Å; F142-V159 HydrophobicContact CE1-CG1 3.97Å; F142-V159 HydrophobicContact CG-CG1 4.28Å; F142-V159 HydrophobicContact CZ-CG1 4.35Å; V159-D161 VanDerWaalsContact C-N 3.26Å; V159-D161 PolarHBondContact O-N 3.46Å; V159-V162 HydrophobicContact CB-CG2 4.31Å; V159-V162 WeakPolarHBondContact O-CG2 3.45Å; V159-V162 PolarHBondContact O-N 3.46Å; V159-L228 HydrophobicContact CB-CD1 4.32Å; V159-L228 HydrophobicContact CG1-CD1 3.46Å; V159-L228 VanDerWaalsContact CG1-CD1 3.46Å; V159-W231 HydrophobicContact CG1-CE3 4.4Å; V159-W231 HydrophobicContact CG2-CB 3.62Å
160	S	86.9	Confident	81.7	Confident	71 Å²	71	64 Å²	64	50%	0.497	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.9	-171.8	-58.1	0	0	0	0	113.9	D158	D158-S160 WeakPolarHBondContact OD1-CB 3.41Å; D158-S160 PolarHBondContact OD1-N 3.16Å; D158-S160 VanDerWaalsContact OD1-N 3.1Å; D158-S160 PolarHBondContact OD1-OG 3.11Å
161	D	84.7	Confident	83.6	Confident	57 Å²	57	55.9 Å²	55.9	31%	0.305	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.6	-178.7	-83.6	-8.3	0	0	0	114.1	V159 Q163 D393 H395	V159-D161 VanDerWaalsContact C-N 3.26Å; V159-D161 PolarHBondContact O-N 3.46Å; D161-Q163 PolarHBondContact O-N 3.08Å; D161-Q163 VanDerWaalsContact O-N 3.12Å; D161-D393 WeakPolarHBondContact CB-OD2 3.37Å; D161-D393 VanDerWaalsContact OD2-CG 3.28Å; D161-H395 IonicContact OD1-CE1 3.91Å; D161-H395 PolarHBondContact OD1-CE1 3.41Å; D161-H395 IonicContact OD1-ND1 2.76Å; D161-H395 PolarHBondContact OD1-ND1 3.09Å; D161-H395 IonicContact OD2-CE1 3.18Å; D161-H395 IonicContact OD2-CG 2.74Å; D161-H395 IonicContact OD2-ND1 3.19Å; D161-H395 PolarHBondContact OD2-ND1 2.69Å
162	V	85.7	Confident	85.4	Confident	21 Å²	21	47.5 Å²	47.5	13%	0.127	25%	0.248	C	C	.	.	S	Bend	trans	-65	116.8	173.8	-179.3	0	0	0	0	109.3	M140 F142 V159 T232 F269	M140-V162 HydrophobicContact CE-CG2 4.46Å; M140-V162 HydrophobicContact SD-CG2 4.19Å; F142-V162 HydrophobicContact CE1-CG2 3.97Å; F142-V162 HydrophobicContact CZ-CG2 3.7Å; V159-V162 HydrophobicContact CB-CG2 4.31Å; V159-V162 WeakPolarHBondContact O-CG2 3.45Å; V159-V162 PolarHBondContact O-N 3.46Å; V162-T232 HydrophobicContact CB-CG2 4.05Å; V162-T232 HydrophobicContact CG1-CG2 3.8Å; V162-T232 HydrophobicContact CG2-CG2 4.12Å; V162-F269 HydrophobicContact CG1-CD1 4.21Å; V162-F269 HydrophobicContact CG1-CE1 3.58Å; V162-F269 HydrophobicContact CG1-CZ 3.97Å; V162-F269 HydrophobicContact CG2-CE1 4.42Å; V162-F269 HydrophobicContact CG2-CZ 3.97Å
163	Q	78.1	Confident	86.7	Confident	81 Å²	81	44.9 Å²	44.9	38%	0.379	23%	0.232	S	C	.	.			trans	-70	138.4	-176.1	-60.2	-175.3	8	0	0	111.5	D161 G165 H166	D161-Q163 PolarHBondContact O-N 3.08Å; D161-Q163 VanDerWaalsContact O-N 3.12Å; Q163-G165 PolarHBondContact O-N 3.35Å; Q163-H166 WeakPolarHBondContact CB-ND1 3.39Å; Q163-H166 PolarHBondContact O-N 3.43Å; Q163-H166 PolarHBondContact OE1-CE1 3.38Å
164	P	70.2	Confident	87.2	Confident	144 Å²	144	44 Å²	44	94%	0.935	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.3	-173.7	22.8	-33.3	0	0	0	115.4
165	G	72.9	Confident	87.2	Confident	37 Å²	37	38 Å²	38	38%	0.381	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-3	176.6	0	0	0	0	0	115.2	Q163 V272	Q163-G165 PolarHBondContact O-N 3.35Å; G165-V272 PolarHBondContact O-N 2.89Å
166	H	83.7	Confident	87.2	Confident	31 Å²	31	38.8 Å²	38.8	14%	0.144	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.5	179.7	-73	63.8	0	0	0	110.2	Q163 F269 C270	Q163-H166 WeakPolarHBondContact CB-ND1 3.39Å; Q163-H166 PolarHBondContact O-N 3.43Å; Q163-H166 PolarHBondContact OE1-CE1 3.38Å; H166-F269 HydrophobicContact CB-CB 4.12Å; H166-F269 HydrophobicContact CB-CD1 4.12Å; H166-F269 HydrophobicContact CB-CG 4.46Å; H166-C270 WeakPolarHBondContact CA-O 3.45Å
167	R	88.4	Confident	87	Confident	141 Å²	141	34.5 Å²	34.5	53%	0.532	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.5	172.9	-176.4	-175.7	77.5	-170.5	5.8	108.8	I169 F269 C270 V272	R167-I169 PolarHBondContact O-N 3.21Å; R167-F269 WeakPolarHBondContact O-CA 3.39Å; R167-C270 PolarHBondContact N-O 2.81Å; R167-C270 PolarHBondContact NE-SG 3.28Å; R167-C270 PolarHBondContact NH2-SG 2.79Å; R167-C270 PolarHBondContact O-N 2.95Å; R167-V272 HydrophobicContact CB-CG2 3.6Å
168	L	90.5	Very high	86.6	Confident	24 Å²	24	38 Å²	38	13%	0.126	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	120.3	170.7	-173.4	71.2	0	0	0	109.5	G170 A171 T225 L228 H229 F269	L168-G170 WeakPolarHBondContact CD1-O 3.47Å; L168-A171 HydrophobicContact CD1-CB 4.32Å; L168-A171 HydrophobicContact CD2-CB 4.42Å; L168-T225 HydrophobicContact CD2-CG2 4.02Å; L168-L228 HydrophobicContact CD1-CD2 3.78Å; L168-L228 HydrophobicContact CD1-CG 4.42Å; L168-L228 HydrophobicContact CD2-CB 4.12Å; L168-L228 HydrophobicContact CD2-CD2 4.41Å; L168-L228 HydrophobicContact CD2-CG 4.33Å; L168-H229 HydrophobicContact CD2-CB 3.87Å; L168-F269 HydrophobicContact CB-CD1 4.3Å; L168-F269 HydrophobicContact CB-CE1 4.14Å; L168-F269 HydrophobicContact CD1-CD1 3.93Å; L168-F269 HydrophobicContact CD1-CE1 3.47Å; L168-F269 VanDerWaalsContact CD1-CE1 3.47Å; L168-F269 HydrophobicContact CD1-CE2 4.21Å; L168-F269 HydrophobicContact CD1-CG 4.49Å; L168-F269 HydrophobicContact CD1-CZ 3.63Å; L168-F269 HydrophobicContact CG-CE1 4.41Å
169	I	88.6	Confident	86.1	Confident	44 Å²	44	42.2 Å²	42.2	23%	0.226	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-47.8	171.7	-60	174	0	0	0	109.2	E135 A136 R167 Y268 C270	E135-I169 HydrophobicContact CB-CD1 4.15Å; A136-I169 HydrophobicContact CB-CD1 4.1Å; R167-I169 PolarHBondContact O-N 3.21Å; I169-Y268 PolarHBondContact N-O 2.86Å; I169-C270 HydrophobicContact CD1-CB 3.93Å; I169-C270 HydrophobicContact CG1-CB 4.31Å
170	G	90.1	Very high	85.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	161.7	-177.1	0	0	0	0	0	111	L168 Y268	L168-G170 WeakPolarHBondContact CD1-O 3.47Å; G170-Y268 WeakPolarHBondContact O-CD2 3.24Å; G170-Y268 PolarHBondContact O-N 2.95Å
171	A	93	Very high	85	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	150.3	171.9	0	0	0	0	0	111.9	F131 L168 N223 A224 T225 L228 V266	F131-A171 WeakPolarHBondContact CE2-O 3.22Å; L168-A171 HydrophobicContact CD1-CB 4.32Å; L168-A171 HydrophobicContact CD2-CB 4.42Å; A171-N223 PolarHBondContact O-OD1 3.22Å; A171-A224 HydrophobicContact CB-CB 4.45Å; A171-A224 CarbonylContact O-C 3.51Å; A171-A224 PolarHBondContact O-N 3.28Å; A171-T225 PolarHBondContact N-OG1 3.41Å; A171-T225 PolarHBondContact O-N 3.46Å; A171-T225 PolarHBondContact O-OG1 3.13Å; A171-L228 HydrophobicContact CB-CB 3.82Å; A171-L228 HydrophobicContact CB-CD2 3.41Å; A171-L228 VanDerWaalsContact CB-CD2 3.41Å; A171-L228 HydrophobicContact CB-CG 4.23Å; A171-V266 CarbonylContact C-O 3.4Å; A171-V266 VanDerWaalsContact CA-O 3.24Å; A171-V266 WeakPolarHBondContact CA-O 3.44Å
172	E	91.6	Very high	84.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142.3	-177.1	57.7	-175.3	-159.1	0	0	111	L130 R174 V221 L222 I265 V266 Y268	L130-E172 HydrophobicContact CD1-CB 4.34Å; E172-R174 HydrophobicContact CG-CG 4.36Å; E172-R174 IonicContact OE1-CZ 3.31Å; E172-R174 IonicContact OE1-NE 2.8Å; E172-R174 PolarHBondContact OE1-NE 3.17Å; E172-R174 IonicContact OE1-NH2 3.79Å; E172-R174 PolarHBondContact OE1-NH2 3.19Å; E172-R174 IonicContact OE2-NH2 3.13Å; E172-V221 HydrophobicContact CB-CG1 3.82Å; E172-V221 HydrophobicContact CG-CG1 4.43Å; E172-L222 CarbonylContact C-O 3.44Å; E172-L222 VanDerWaalsContact CA-O 3.29Å; E172-L222 WeakPolarHBondContact CA-O 3.47Å; E172-I265 CarbonylContact O-C 2.97Å; E172-I265 VanDerWaalsContact O-CA 3.31Å; E172-I265 WeakPolarHBondContact O-CA 3.36Å; E172-V266 HydrophobicContact CG-CB 3.97Å; E172-V266 PolarHBondContact N-O 3.39Å; E172-V266 PolarHBondContact O-N 3.44Å; E172-Y268 HydrophobicContact CG-CE2 4.13Å; E172-Y268 PolarHBondContact OE1-OH 3.18Å
173	L	93.6	Very high	84	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	117.2	170.2	179.9	74.7	0	0	0	107.1	Y157 V195 V221 L222 A224 I243 I265	Y157-L173 HydrophobicContact CE2-CD1 4.25Å; Y157-L173 WeakPolarHBondContact OH-CD1 3.33Å; L173-V195 HydrophobicContact CD2-CG1 4.2Å; L173-V195 HydrophobicContact CD2-CG2 3.65Å; L173-V221 WeakPolarHBondContact O-CA 3.5Å; L173-L222 HydrophobicContact CB-CB 4.35Å; L173-L222 HydrophobicContact CD2-CD1 4.45Å; L173-L222 PolarHBondContact N-O 3.33Å; L173-L222 PolarHBondContact O-N 3.27Å; L173-A224 HydrophobicContact CB-CB 4.1Å; L173-I243 HydrophobicContact CD2-CD1 3.97Å; L173-I265 HydrophobicContact CD1-CD1 4.37Å; L173-I265 HydrophobicContact CD1-CG1 3.55Å
174	R	90.9	Very high	83.8	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.008	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.6	178.5	-68.8	-167.6	173	-104.8	-1.6	109.7	Y82 E125 D129 E172 W219 V221 C263 F264	Y82-R174 VanDerWaalsContact OH-CZ 3.32Å; Y82-R174 PolarHBondContact OH-NE 2.93Å; Y82-R174 PolarHBondContact OH-NH2 2.73Å; E125-R174 IonicContact OE1-CZ 3.02Å; E125-R174 IonicContact OE1-NH1 3.92Å; E125-R174 PolarHBondContact OE1-NH1 2.93Å; E125-R174 IonicContact OE1-NH2 2.64Å; D129-R174 IonicContact OD1-CZ 2.91Å; D129-R174 IonicContact OD1-NH2 3.54Å; D129-R174 PolarHBondContact OD1-NH2 3.18Å; E172-R174 HydrophobicContact CG-CG 4.36Å; E172-R174 IonicContact OE1-CZ 3.31Å; E172-R174 IonicContact OE1-NE 2.8Å; E172-R174 PolarHBondContact OE1-NE 3.17Å; E172-R174 IonicContact OE1-NH2 3.79Å; E172-R174 PolarHBondContact OE1-NH2 3.19Å; E172-R174 IonicContact OE2-NH2 3.13Å; R174-W219 HydrophobicContact CB-CE3 4.08Å; R174-W219 HydrophobicContact CB-CZ3 4.11Å; R174-V221 HydrophobicContact CG-CG2 4.38Å; R174-C263 WeakPolarHBondContact O-CA 3.48Å; R174-F264 HydrophobicContact CB-CD2 4.4Å; R174-F264 HydrophobicContact CB-CE2 4.02Å; R174-F264 HydrophobicContact CB-CZ 4.18Å; R174-F264 PolarHBondContact N-O 3.13Å; R174-F264 PolarHBondContact O-N 3.22Å
175	M	90	Very high	84.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.8	175.1	-60	178.8	71.9	0	0	108.9	L193 I220 L222 I243 V260 D262 C263	M175-L193 HydrophobicContact CE-CD2 4.22Å; M175-L193 HydrophobicContact SD-CD2 3.94Å; M175-I220 HydrophobicContact CB-CB 4.38Å; M175-I220 PolarHBondContact N-O 3Å; M175-I220 PolarHBondContact O-N 2.61Å; M175-L222 HydrophobicContact SD-CD1 4.15Å; M175-I243 HydrophobicContact CE-CD1 3.96Å; M175-I243 HydrophobicContact CE-CG2 3.93Å; M175-I243 HydrophobicContact SD-CD1 3.99Å; M175-I243 HydrophobicContact SD-CG2 4.19Å; M175-V260 HydrophobicContact CB-CG1 4.29Å; M175-V260 HydrophobicContact CE-CB 4.26Å; M175-V260 HydrophobicContact CE-CG1 3.71Å; M175-V260 HydrophobicContact CE-CG2 3.62Å; M175-D262 WeakPolarHBondContact CA-O 3.43Å; M175-C263 HydrophobicContact CG-CB 4.34Å
176	F	88.7	Confident	84.4	Confident	30 Å²	30	45.5 Å²	45.5	13%	0.132	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.8	174.6	-168.6	-106.8	0	0	0	110.4	M78 W219 V260 V261 D262	M78-F176 HydrophobicContact CE-CD1 4.03Å; M78-F176 HydrophobicContact CE-CD2 4.06Å; M78-F176 HydrophobicContact CE-CE1 3.91Å; M78-F176 HydrophobicContact CE-CE2 3.93Å; M78-F176 HydrophobicContact CE-CG 4.1Å; M78-F176 HydrophobicContact CE-CZ 3.85Å; M78-F176 HydrophobicContact CG-CB 4.16Å; M78-F176 HydrophobicContact CG-CD1 4.01Å; M78-F176 HydrophobicContact CG-CG 4.09Å; M78-F176 HydrophobicContact SD-CD1 4.23Å; M78-F176 HydrophobicContact SD-CE1 4.33Å; F176-W219 HydrophobicContact CB-CD2 4.47Å; F176-W219 HydrophobicContact CB-CE3 3.86Å; F176-W219 HydrophobicContact CB-CH2 3.99Å; F176-W219 HydrophobicContact CB-CZ3 3.61Å; F176-W219 AromaticContact CD2-CD2 3.68Å; F176-W219 HydrophobicContact CD2-CD2 3.68Å; F176-W219 AromaticContact CD2-CE2 3.63Å; F176-W219 AromaticContact CD2-CE3 3.95Å; F176-W219 HydrophobicContact CD2-CE3 3.95Å; F176-W219 HydrophobicContact CD2-CG 4.23Å; F176-W219 HydrophobicContact CD2-CH2 4.17Å; F176-W219 AromaticContact CD2-CZ2 3.88Å; F176-W219 HydrophobicContact CD2-CZ2 3.88Å; F176-W219 HydrophobicContact CD2-CZ3 4.2Å; F176-W219 HydrophobicContact CG-CE3 4.41Å; F176-W219 HydrophobicContact CG-CH2 4.38Å; F176-W219 HydrophobicContact CG-CZ2 4.49Å; F176-W219 HydrophobicContact CG-CZ3 4.34Å; F176-V260 WeakPolarHBondContact O-CA 3.41Å; F176-V261 HydrophobicContact CD1-CB 4.28Å; F176-V261 PolarHBondContact O-N 3.12Å; F176-D262 PolarHBondContact N-O 3.35Å
177	R	86.7	Confident	83.8	Confident	12 Å²	12	45 Å²	45	5%	0.045	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.6	177.8	-178	177.5	-177.3	-150.1	0.7	111.6	D213 S214 T216 G218 I220 F258 G259	R177-D213 PolarHBondContact NH1-O 3.47Å; R177-S214 VanDerWaalsContact CZ-O 3.22Å; R177-S214 PolarHBondContact NH1-O 2.74Å; R177-S214 PolarHBondContact NH2-O 3.27Å; R177-T216 WeakPolarHBondContact CD-O 3.47Å; R177-T216 PolarHBondContact NH1-O 3.01Å; R177-G218 PolarHBondContact N-O 2.85Å; R177-G218 PolarHBondContact O-N 2.89Å; R177-I220 HydrophobicContact CB-CD1 4.33Å; R177-F258 VanDerWaalsContact CD-CE1 3.45Å; R177-F258 PolarHBondContact NE-O 3.28Å; R177-F258 VanDerWaalsContact NE-O 3.1Å; R177-G259 WeakPolarHBondContact CA-O 3.49Å
178	N	84.6	Confident	83.2	Confident	74 Å²	74	39.7 Å²	39.7	40%	0.396	22%	0.224	S	C	.	.			trans	-117.5	-173.3	171.5	-158.5	2.6	0	0	0	111.1	S180 G259 V261	N178-S180 PolarHBondContact O-N 2.94Å; N178-G259 PolarHBondContact N-O 2.79Å; N178-V261 HydrophobicContact CB-CG2 3.58Å
179	D	79.6	Confident	82.8	Confident	111 Å²	111	44.1 Å²	44.1	59%	0.594	25%	0.248	S	C	*	.			trans	-55.4	120.9	174.3	-80.8	-52.5	0	0	0	111.9	K217	D179-K217 WeakPolarHBondContact OD1-CE 2.93Å; D179-K217 IonicContact OD1-NZ 3.19Å; D179-K217 PolarHBondContact OD1-NZ 2.79Å; D179-K217 IonicContact OD2-NZ 3.59Å; D179-K217 PolarHBondContact OD2-NZ 2.8Å
180	S	79.3	Confident	82.8	Confident	26 Å²	26	47.4 Å²	47.4	18%	0.182	26%	0.263	C	S	.	.			trans	-95.7	134.2	170.7	172	0	0	0	0	110.6	N178 L182 G183 D257	N178-S180 PolarHBondContact O-N 2.94Å; S180-L182 PolarHBondContact O-N 3.01Å; S180-L182 PolarHBondContact OG-N 3.44Å; S180-G183 PolarHBondContact O-N 2.99Å; S180-G183 PolarHBondContact OG-N 2.91Å; S180-D257 WeakPolarHBondContact CB-O 3.41Å; S180-D257 PolarHBondContact OG-O 3.47Å
181	T	73.9	Confident	82.8	Confident	123 Å²	123	47.4 Å²	47.4	76%	0.755	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.5	168.7	52.3	0	0	0	0	112.2	H184	T181-H184 PolarHBondContact O-CE1 3.39Å; T181-H184 PolarHBondContact O-ND1 3.45Å
182	L	77.4	Confident	82.7	Confident	57 Å²	57	53.9 Å²	53.9	30%	0.298	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-0.7	-179.5	-59.1	176.9	0	0	0	112.9	S180 H184 L185 D257	S180-L182 PolarHBondContact O-N 3.01Å; S180-L182 PolarHBondContact OG-N 3.44Å; L182-H184 PolarHBondContact O-N 2.65Å; L182-H184 VanDerWaalsContact O-N 3.1Å; L182-L185 HydrophobicContact CB-CD1 4.33Å; L182-L185 HydrophobicContact CD2-CD1 3.67Å; L182-L185 WeakPolarHBondContact O-CB 3.05Å; L182-L185 PolarHBondContact O-N 3.36Å; L182-D257 HydrophobicContact CD1-CB 3.95Å; L182-D257 VanDerWaalsContact CD1-OD1 3.23Å; L182-D257 WeakPolarHBondContact CD1-OD1 3.49Å
183	G	71.5	Confident	82.7	Confident	21 Å²	21	53.9 Å²	53.9	22%	0.216	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-57.1	-30.3	-178.7	0	0	0	0	0	113.7	S180 L185 I186	S180-G183 PolarHBondContact O-N 2.99Å; S180-G183 PolarHBondContact OG-N 2.91Å; G183-L185 VanDerWaalsContact C-N 3.26Å; G183-L185 PolarHBondContact O-N 3Å; G183-I186 PolarHBondContact O-N 2.96Å
184	H	74.2	Confident	82.6	Confident	148 Å²	148	54.4 Å²	54.4	69%	0.685	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-71.1	-15.1	176.7	70	-81.5	0	0	0	114.4	T181 L182	T181-H184 PolarHBondContact O-CE1 3.39Å; T181-H184 PolarHBondContact O-ND1 3.45Å; L182-H184 PolarHBondContact O-N 2.65Å; L182-H184 VanDerWaalsContact O-N 3.1Å
185	L	78.3	Confident	82.8	Confident	94 Å²	94	54.5 Å²	54.5	49%	0.492	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-87	-15.9	178	-60	176.9	0	0	0	112.7	L182 G183 A187 W253	L182-L185 HydrophobicContact CB-CD1 4.33Å; L182-L185 HydrophobicContact CD2-CD1 3.67Å; L182-L185 WeakPolarHBondContact O-CB 3.05Å; L182-L185 PolarHBondContact O-N 3.36Å; G183-L185 VanDerWaalsContact C-N 3.26Å; G183-L185 PolarHBondContact O-N 3Å; L185-A187 PolarHBondContact O-N 2.83Å; L185-W253 HydrophobicContact CB-CH2 3.59Å; L185-W253 HydrophobicContact CB-CZ3 4.1Å
186	I	78.2	Confident	82.9	Confident	15 Å²	15	56.8 Å²	56.8	8%	0.077	30%	0.302	C	S	.	.	S	Bend	trans	-67	123.2	179.7	-60.1	174.5	0	0	0	108.3	G183 V191 D247 W253 F258	G183-I186 PolarHBondContact O-N 2.96Å; I186-V191 HydrophobicContact CG2-CG2 3.54Å; I186-D247 HydrophobicContact CG2-CB 4.16Å; I186-W253 HydrophobicContact CG1-CD2 4.2Å; I186-W253 HydrophobicContact CG1-CE3 4.48Å; I186-W253 HydrophobicContact CG1-CH2 4.44Å; I186-W253 HydrophobicContact CG1-CZ2 4.15Å; I186-F258 HydrophobicContact CD1-CD2 3.56Å; I186-F258 HydrophobicContact CD1-CE2 3.89Å
187	A	71.1	Confident	83.1	Confident	21 Å²	21	56.4 Å²	56.4	17%	0.174	30%	0.3	C	S	.	.			trans	-83.9	134	179.8	0	0	0	0	0	111.2	L185 D247 K249	L185-A187 PolarHBondContact O-N 2.83Å; A187-D247 WeakPolarHBondContact O-CB 3.33Å; A187-K249 HydrophobicContact CB-CD 3.82Å; A187-K249 HydrophobicContact CB-CG 4.31Å
188	G	74.8	Confident	83.4	Confident	29 Å²	29	56.1 Å²	56.1	30%	0.299	30%	0.3	S	S	.	.	S	Bend	trans	94.2	172.4	177.3	0	0	0	0	0	112.8	E248	G188-E248 WeakPolarHBondContact CA-OE1 3.09Å
189	N	83.1	Confident	83.6	Confident	117 Å²	117	54.2 Å²	54.2	63%	0.626	29%	0.289	S	S	*	.	S	Bend	trans	-90.4	-23.8	-179.8	-69.6	-10.2	0	0	0	111.1	D213 S214 E248	N189-D213 CarbonylContact O-C 3.55Å; N189-D213 WeakPolarHBondContact O-CA 2.94Å; N189-S214 WeakPolarHBondContact O-CB 3.17Å; N189-S214 PolarHBondContact O-N 3.1Å; N189-S214 PolarHBondContact O-OG 3.24Å; N189-E248 PolarHBondContact N-OE1 2.87Å; N189-E248 VanDerWaalsContact N-OE1 3.11Å
190	E	87.8	Confident	83.8	Confident	113 Å²	113	55.5 Å²	55.5	53%	0.528	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.6	-174.9	-69.6	-174.1	174.9	0	0	112.1	T211 V212 E248	E190-T211 HydrophobicContact CB-CG2 3.69Å; E190-T211 HydrophobicContact CG-CG2 4.13Å; E190-V212 WeakPolarHBondContact CA-O 3.45Å; E190-E248 PolarHBondContact N-OE1 3.48Å
191	V	89.7	Confident	83.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.4	177.9	-176.3	0	0	0	0	108.7	I186 T211 V212 I245 F258	I186-V191 HydrophobicContact CG2-CG2 3.54Å; V191-T211 CarbonylContact O-C 3.59Å; V191-T211 WeakPolarHBondContact O-CA 3.39Å; V191-V212 HydrophobicContact CB-CG2 4.43Å; V191-V212 PolarHBondContact N-O 3.43Å; V191-V212 PolarHBondContact O-N 3.38Å; V191-I245 HydrophobicContact CG1-CG2 3.27Å; V191-F258 HydrophobicContact CB-CE2 4.08Å; V191-F258 HydrophobicContact CB-CZ 4.34Å; V191-F258 HydrophobicContact CG1-CD2 4.42Å; V191-F258 HydrophobicContact CG1-CE2 3.85Å; V191-F258 HydrophobicContact CG1-CZ 4.23Å; V191-F258 HydrophobicContact CG2-CE2 4Å
192	R	91	Very high	84.4	Confident	136 Å²	136	56 Å²	56	51%	0.513	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.1	176.1	-176	177.1	-65.7	163.1	3	109.9	S209 V210 S246	R192-S209 WeakPolarHBondContact CG-OG 3.48Å; R192-V210 WeakPolarHBondContact CA-O 3.42Å; R192-S246 PolarHBondContact N-O 3.33Å; R192-S246 PolarHBondContact O-N 2.79Å; R192-S246 PolarHBondContact O-OG 3.46Å
193	L	91.9	Very high	84.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.9	167.5	-69	89.5	0	0	0	108.3	M175 S209 V210 V212 I220 I245 F258	M175-L193 HydrophobicContact CE-CD2 4.22Å; M175-L193 HydrophobicContact SD-CD2 3.94Å; L193-S209 CarbonylContact O-C 3.57Å; L193-S209 WeakPolarHBondContact O-CA 3.43Å; L193-S209 WeakPolarHBondContact O-CB 3.5Å; L193-S209 PolarHBondContact O-OG 3.33Å; L193-V210 HydrophobicContact CB-CG1 4.01Å; L193-V210 HydrophobicContact CD1-CG1 4.45Å; L193-V210 PolarHBondContact N-O 2.77Å; L193-V210 PolarHBondContact O-N 3.47Å; L193-V212 HydrophobicContact CD1-CB 4.42Å; L193-V212 HydrophobicContact CD1-CG1 4.19Å; L193-V212 HydrophobicContact CD1-CG2 3.39Å; L193-I220 HydrophobicContact CD1-CD1 4.34Å; L193-I220 HydrophobicContact CD2-CD1 4.14Å; L193-I220 HydrophobicContact CD2-CG2 4.37Å; L193-I245 HydrophobicContact CD2-CD1 4.24Å; L193-I245 HydrophobicContact CD2-CG1 4.28Å; L193-I245 HydrophobicContact CG-CG1 4.14Å; L193-I245 HydrophobicContact CG-CG2 4.48Å; L193-F258 HydrophobicContact CD1-CE1 4.12Å; L193-F258 HydrophobicContact CD1-CZ 4.29Å; L193-F258 HydrophobicContact CD2-CE1 4.25Å
194	S	92.4	Very high	85.9	Confident	13 Å²	13	62.4 Å²	62.4	9%	0.091	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.5	178.1	-61.4	0	0	0	0	109.6	F196 S209 V244	S194-F196 VanDerWaalsContact CB-CE2 3.44Å; S194-S209 PolarHBondContact OG-OG 3.3Å; S194-V244 PolarHBondContact N-O 3.03Å; S194-V244 PolarHBondContact O-N 3Å
195	V	93.9	Very high	86.7	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.024	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.4	-179	178.4	0	0	0	0	108.3	L173 I207 S208 L222 L241 I243	L173-V195 HydrophobicContact CD2-CG1 4.2Å; L173-V195 HydrophobicContact CD2-CG2 3.65Å; V195-I207 PolarHBondContact O-N 3.41Å; V195-S208 PolarHBondContact N-O 2.8Å; V195-S208 PolarHBondContact O-N 3.35Å; V195-L222 HydrophobicContact CG2-CD1 4.38Å; V195-L222 HydrophobicContact CG2-CD2 3.77Å; V195-L241 HydrophobicContact CG1-CB 4.32Å; V195-L241 HydrophobicContact CG1-CD1 3.76Å; V195-L241 HydrophobicContact CG1-CD2 4.23Å; V195-L241 HydrophobicContact CG1-CG 4.32Å; V195-I243 HydrophobicContact CG2-CG1 4.36Å
196	F	93.2	Very high	87.4	Confident	49 Å²	49	59.2 Å²	59.2	22%	0.215	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.5	179.1	-60.1	-94.5	0	0	0	110.5	S194 N204 D205 L206 L241 E242 V244	S194-F196 VanDerWaalsContact CB-CE2 3.44Å; F196-N204 HydrophobicContact CB-CB 3.9Å; F196-N204 HydrophobicContact CD1-CB 4.47Å; F196-D205 CarbonylContact C-O 3.59Å; F196-D205 VanDerWaalsContact CA-O 3.23Å; F196-D205 WeakPolarHBondContact CA-O 3.32Å; F196-L206 HydrophobicContact CD1-CB 3.95Å; F196-L206 HydrophobicContact CD1-CD1 4.06Å; F196-L206 HydrophobicContact CE1-CB 3.8Å; F196-L206 HydrophobicContact CE1-CD1 3.68Å; F196-L206 HydrophobicContact CE1-CG 4.3Å; F196-L206 HydrophobicContact CE2-CD1 4.29Å; F196-L206 HydrophobicContact CZ-CD1 3.81Å; F196-L241 CarbonylContact O-C 3.48Å; F196-L241 VanDerWaalsContact O-CA 3.22Å; F196-L241 WeakPolarHBondContact O-CA 3.25Å; F196-E242 HydrophobicContact CB-CB 4.44Å; F196-E242 PolarHBondContact N-O 3.37Å; F196-E242 PolarHBondContact O-N 3.12Å; F196-V244 HydrophobicContact CD2-CB 4.43Å; F196-V244 HydrophobicContact CD2-CG2 3.89Å; F196-V244 HydrophobicContact CE2-CB 4.04Å; F196-V244 HydrophobicContact CE2-CG2 3.87Å
197	K	93.6	Very high	88	Confident	22 Å²	22	60.6 Å²	60.6	10%	0.096	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125	167	171.8	-166.5	159.6	-146	0	108.4	N199 N204 D205 I207 I227	K197-N199 VanDerWaalsContact CE-OD1 3.26Å; K197-N199 WeakPolarHBondContact CE-OD1 3.48Å; K197-N199 PolarHBondContact NZ-OD1 2.93Å; K197-N199 PolarHBondContact O-N 3.28Å; K197-N204 WeakPolarHBondContact O-CA 3.19Å; K197-N204 WeakPolarHBondContact O-CB 3.41Å; K197-D205 HydrophobicContact CB-CB 4.31Å; K197-D205 PolarHBondContact N-O 3.12Å; K197-D205 IonicContact NZ-OD2 3.24Å; K197-D205 PolarHBondContact NZ-OD2 2.95Å; K197-D205 VanDerWaalsContact NZ-OD2 3.13Å; K197-D205 PolarHBondContact O-N 3.01Å; K197-D205 VanDerWaalsContact O-N 3.1Å; K197-I207 HydrophobicContact CB-CD1 3.84Å; K197-I207 HydrophobicContact CB-CG1 3.78Å; K197-I227 HydrophobicContact CB-CD1 3.92Å; K197-I227 HydrophobicContact CD-CD1 3.59Å; K197-I227 HydrophobicContact CG-CD1 3.68Å
198	V	91.9	Very high	89	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.03	34%	0.342	C	S	.	.			trans	-73.1	127.3	178.4	-179.8	0	0	0	0	109.5	N204 S239 G240 E242	V198-N204 WeakPolarHBondContact CA-OD1 3.16Å; V198-S239 WeakPolarHBondContact O-CB 3.21Å; V198-G240 PolarHBondContact N-O 2.81Å; V198-G240 VanDerWaalsContact N-O 3.07Å; V198-E242 HydrophobicContact CG2-CB 3.91Å
199	N	89.7	Confident	89.9	Confident	34 Å²	34	61.8 Å²	61.8	18%	0.182	35%	0.345	C	S	.	.			trans	-110.9	123.6	172	-69.6	-39.9	0	0	0	109.4	K197 G201 A202 E203 N204 D205	K197-N199 VanDerWaalsContact CE-OD1 3.26Å; K197-N199 WeakPolarHBondContact CE-OD1 3.48Å; K197-N199 PolarHBondContact NZ-OD1 2.93Å; K197-N199 PolarHBondContact O-N 3.28Å; N199-G201 PolarHBondContact O-N 2.82Å; N199-A202 HydrophobicContact CB-CB 3.95Å; N199-A202 PolarHBondContact O-N 2.7Å; N199-E203 PolarHBondContact ND2-O 3.21Å; N199-N204 PolarHBondContact N-OD1 3.05Å; N199-N204 VanDerWaalsContact N-OD1 3.11Å; N199-D205 PolarHBondContact ND2-OD1 2.73Å; N199-D205 PolarHBondContact ND2-OD2 2.87Å
200	N	83.3	Confident	90.2	Very high	138 Å²	138	57.8 Å²	57.8	74%	0.738	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	102.5	-178.6	-71.3	-18.8	0	0	0	111.3	S239	N200-S239 PolarHBondContact ND2-OG 3.18Å
201	G	80.6	Confident	90.4	Very high	93 Å²	93	55.5 Å²	55.5	96%	0.959	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	9.6	177.3	0	0	0	0	0	115.5	N199	N199-G201 PolarHBondContact O-N 2.82Å
202	A	85.3	Confident	90.3	Very high	66 Å²	66	55.7 Å²	55.7	55%	0.545	32%	0.32	S	S	.	.	S	Bend	trans	-125.2	175.5	174.3	0	0	0	0	0	110.8	N199	N199-A202 HydrophobicContact CB-CB 3.95Å; N199-A202 PolarHBondContact O-N 2.7Å
203	E	87.9	Confident	89.9	Confident	174 Å²	174	52.3 Å²	52.3	81%	0.813	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-64.9	142.9	172.7	-170.1	172.7	-174.1	0	0	110.5	N199	N199-E203 PolarHBondContact ND2-O 3.21Å
204	N	91.2	Very high	89.3	Confident	39 Å²	39	53.1 Å²	53.1	21%	0.209	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-79.3	136.9	-178.8	-66.1	-19.2	0	0	0	110.4	F196 K197 V198 N199 E242	F196-N204 HydrophobicContact CB-CB 3.9Å; F196-N204 HydrophobicContact CD1-CB 4.47Å; K197-N204 WeakPolarHBondContact O-CA 3.19Å; K197-N204 WeakPolarHBondContact O-CB 3.41Å; V198-N204 WeakPolarHBondContact CA-OD1 3.16Å; N199-N204 PolarHBondContact N-OD1 3.05Å; N199-N204 VanDerWaalsContact N-OD1 3.11Å; N204-E242 PolarHBondContact ND2-OE2 2.87Å
205	D	91.6	Very high	88.7	Confident	72 Å²	72	59.3 Å²	59.3	39%	0.385	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.4	-177.6	-55.1	-45.5	0	0	0	109.8	F196 K197 N199 I207	F196-D205 CarbonylContact C-O 3.59Å; F196-D205 VanDerWaalsContact CA-O 3.23Å; F196-D205 WeakPolarHBondContact CA-O 3.32Å; K197-D205 HydrophobicContact CB-CB 4.31Å; K197-D205 PolarHBondContact N-O 3.12Å; K197-D205 IonicContact NZ-OD2 3.24Å; K197-D205 PolarHBondContact NZ-OD2 2.95Å; K197-D205 VanDerWaalsContact NZ-OD2 3.13Å; K197-D205 PolarHBondContact O-N 3.01Å; K197-D205 VanDerWaalsContact O-N 3.1Å; N199-D205 PolarHBondContact ND2-OD1 2.73Å; N199-D205 PolarHBondContact ND2-OD2 2.87Å; D205-I207 PolarHBondContact O-N 2.88Å
206	L	92.8	Very high	88	Confident	104 Å²	104	60.2 Å²	60.2	55%	0.545	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	121	171.9	179.4	67	0	0	0	109.7	F196	F196-L206 HydrophobicContact CD1-CB 3.95Å; F196-L206 HydrophobicContact CD1-CD1 4.06Å; F196-L206 HydrophobicContact CE1-CB 3.8Å; F196-L206 HydrophobicContact CE1-CD1 3.68Å; F196-L206 HydrophobicContact CE1-CG 4.3Å; F196-L206 HydrophobicContact CE2-CD1 4.29Å; F196-L206 HydrophobicContact CZ-CD1 3.81Å
207	I	91.5	Very high	87.6	Confident	44 Å²	44	62.2 Å²	62.2	23%	0.226	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-49.6	-179.4	-61.1	-57.3	0	0	0	111.2	V195 K197 D205 I227	V195-I207 PolarHBondContact O-N 3.41Å; K197-I207 HydrophobicContact CB-CD1 3.84Å; K197-I207 HydrophobicContact CB-CG1 3.78Å; D205-I207 PolarHBondContact O-N 2.88Å; I207-I227 HydrophobicContact CD1-CB 4.4Å; I207-I227 HydrophobicContact CD1-CD1 4.27Å; I207-I227 HydrophobicContact CG1-CB 4.41Å; I207-I227 HydrophobicContact CG2-CB 4.08Å; I207-I227 HydrophobicContact CG2-CG2 4.04Å
208	S	92.6	Very high	87.2	Confident	23 Å²	23	61.4 Å²	61.4	16%	0.161	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	152.8	-173.4	-171.9	0	0	0	0	110.2	V195 N223	V195-S208 PolarHBondContact N-O 2.8Å; V195-S208 PolarHBondContact O-N 3.35Å; S208-N223 VanDerWaalsContact CB-O 3.26Å; S208-N223 WeakPolarHBondContact CB-O 3.08Å; S208-N223 PolarHBondContact OG-O 3.29Å
209	S	92.7	Very high	87.1	Confident	51 Å²	51	61.7 Å²	61.7	36%	0.357	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	145.8	175.5	-170.1	0	0	0	0	110.8	R192 L193 S194	R192-S209 WeakPolarHBondContact CG-OG 3.48Å; L193-S209 CarbonylContact O-C 3.57Å; L193-S209 WeakPolarHBondContact O-CA 3.43Å; L193-S209 WeakPolarHBondContact O-CB 3.5Å; L193-S209 PolarHBondContact O-OG 3.33Å; S194-S209 PolarHBondContact OG-OG 3.3Å
210	V	90.5	Very high	87.1	Confident	34 Å²	34	60.1 Å²	60.1	21%	0.206	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.1	177.2	66.2	0	0	0	0	109.4	R192 L193 V212 I220 L222	R192-V210 WeakPolarHBondContact CA-O 3.42Å; L193-V210 HydrophobicContact CB-CG1 4.01Å; L193-V210 HydrophobicContact CD1-CG1 4.45Å; L193-V210 PolarHBondContact N-O 2.77Å; L193-V210 PolarHBondContact O-N 3.47Å; V210-V212 HydrophobicContact CG1-CG1 4.2Å; V210-V212 HydrophobicContact CG2-CG1 4.21Å; V210-I220 HydrophobicContact CG1-CG2 3.83Å; V210-L222 HydrophobicContact CB-CD2 4.27Å; V210-L222 HydrophobicContact CB-CG 4.44Å; V210-L222 HydrophobicContact CG1-CD1 4.16Å; V210-L222 HydrophobicContact CG1-CD2 3.8Å; V210-L222 HydrophobicContact CG1-CG 3.84Å
211	T	90.2	Very high	87.4	Confident	64 Å²	64	53.9 Å²	53.9	39%	0.393	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.7	169.9	-54.4	0	0	0	0	108.2	E190 V191	E190-T211 HydrophobicContact CB-CG2 3.69Å; E190-T211 HydrophobicContact CG-CG2 4.13Å; V191-T211 CarbonylContact O-C 3.59Å; V191-T211 WeakPolarHBondContact O-CA 3.39Å
212	V	88.2	Confident	87.9	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	154.6	179.2	-58.3	0	0	0	0	110	V126 E190 V191 L193 V210 I220 F258	V126-V212 HydrophobicContact CG1-CG1 4.15Å; E190-V212 WeakPolarHBondContact CA-O 3.45Å; V191-V212 HydrophobicContact CB-CG2 4.43Å; V191-V212 PolarHBondContact N-O 3.43Å; V191-V212 PolarHBondContact O-N 3.38Å; L193-V212 HydrophobicContact CD1-CB 4.42Å; L193-V212 HydrophobicContact CD1-CG1 4.19Å; L193-V212 HydrophobicContact CD1-CG2 3.39Å; V210-V212 HydrophobicContact CG1-CG1 4.2Å; V210-V212 HydrophobicContact CG2-CG1 4.21Å; V212-I220 HydrophobicContact CG1-CD1 4.35Å; V212-I220 HydrophobicContact CG1-CG1 4.35Å; V212-I220 HydrophobicContact CG1-CG2 4.05Å; V212-I220 HydrophobicContact CG2-CD1 4.27Å; V212-F258 HydrophobicContact CG2-CZ 3.96Å
213	D	83.8	Confident	88.1	Confident	66 Å²	66	49.9 Å²	49.9	35%	0.353	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	138.3	171.8	179.4	-80.8	0	0	0	109.9	R177 N189 L215 T216	R177-D213 PolarHBondContact NH1-O 3.47Å; N189-D213 CarbonylContact O-C 3.55Å; N189-D213 WeakPolarHBondContact O-CA 2.94Å; D213-L215 PolarHBondContact O-N 2.77Å; D213-L215 VanDerWaalsContact O-N 3.08Å; D213-L215 WeakPolarHBondContact OD1-CA 3.44Å; D213-L215 VanDerWaalsContact OD1-CB 3.25Å; D213-L215 WeakPolarHBondContact OD1-CB 3.42Å; D213-L215 PolarHBondContact OD1-N 2.79Å; D213-T216 WeakPolarHBondContact CB-OG1 3.11Å; D213-T216 WeakPolarHBondContact O-CB 3.43Å; D213-T216 PolarHBondContact O-N 3.5Å; D213-T216 PolarHBondContact O-OG1 2.6Å
214	S	79.3	Confident	88.4	Confident	17 Å²	17	41.8 Å²	41.8	12%	0.119	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21	-178.2	63.5	0	0	0	0	113.3	R177 N189	R177-S214 VanDerWaalsContact CZ-O 3.22Å; R177-S214 PolarHBondContact NH1-O 2.74Å; R177-S214 PolarHBondContact NH2-O 3.27Å; N189-S214 WeakPolarHBondContact O-CB 3.17Å; N189-S214 PolarHBondContact O-N 3.1Å; N189-S214 PolarHBondContact O-OG 3.24Å
215	L	79.2	Confident	88.4	Confident	142 Å²	142	41.5 Å²	41.5	74%	0.743	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-7	177.5	-56.5	174.5	0	0	0	113.6	D213 K217	D213-L215 PolarHBondContact O-N 2.77Å; D213-L215 VanDerWaalsContact O-N 3.08Å; D213-L215 WeakPolarHBondContact OD1-CA 3.44Å; D213-L215 VanDerWaalsContact OD1-CB 3.25Å; D213-L215 WeakPolarHBondContact OD1-CB 3.42Å; D213-L215 PolarHBondContact OD1-N 2.79Å; L215-K217 PolarHBondContact O-N 2.9Å
216	T	79.4	Confident	88.4	Confident	24 Å²	24	41.5 Å²	41.5	15%	0.147	24%	0.235	C	C	.	.			trans	-62.3	126.7	-179.9	-62.8	0	0	0	0	110.5	V126 R177 D213	V126-T216 HydrophobicContact CG2-CG2 3.52Å; R177-T216 WeakPolarHBondContact CD-O 3.47Å; R177-T216 PolarHBondContact NH1-O 3.01Å; D213-T216 WeakPolarHBondContact CB-OG1 3.11Å; D213-T216 WeakPolarHBondContact O-CB 3.43Å; D213-T216 PolarHBondContact O-N 3.5Å; D213-T216 PolarHBondContact O-OG1 2.6Å
217	K	83.8	Confident	88.5	Confident	91 Å²	91	36.7 Å²	36.7	40%	0.396	21%	0.21	S	C	.	.			trans	-111.9	150.3	172.4	-60.4	-177.7	-177.6	-173	0	110	S124 D179 L215	S124-K217 WeakPolarHBondContact CB-O 3.43Å; D179-K217 WeakPolarHBondContact OD1-CE 2.93Å; D179-K217 IonicContact OD1-NZ 3.19Å; D179-K217 PolarHBondContact OD1-NZ 2.79Å; D179-K217 IonicContact OD2-NZ 3.59Å; D179-K217 PolarHBondContact OD2-NZ 2.8Å; L215-K217 PolarHBondContact O-N 2.9Å
218	G	86.1	Confident	88.6	Confident	4 Å²	4	34.6 Å²	34.6	4%	0.041	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.5	-147.7	178.6	0	0	0	0	0	112.9	R177	R177-G218 PolarHBondContact N-O 2.85Å; R177-G218 PolarHBondContact O-N 2.89Å
219	W	89.1	Confident	88.6	Confident	12 Å²	12	38.5 Å²	38.5	5%	0.045	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	129.6	-173.7	-65	112.3	0	0	0	111.5	M78 S124 E125 V126 R174 F176 F264	M78-W219 HydrophobicContact CB-CH2 3.6Å; M78-W219 HydrophobicContact CB-CZ2 4.16Å; M78-W219 HydrophobicContact CE-CZ2 4.16Å; M78-W219 HydrophobicContact CG-CH2 4.4Å; S124-W219 PolarHBondContact O-N 3.39Å; E125-W219 HydrophobicContact CG-CB 4.26Å; V126-W219 PolarHBondContact N-O 2.94Å; R174-W219 HydrophobicContact CB-CE3 4.08Å; R174-W219 HydrophobicContact CB-CZ3 4.11Å; F176-W219 HydrophobicContact CB-CD2 4.47Å; F176-W219 HydrophobicContact CB-CE3 3.86Å; F176-W219 HydrophobicContact CB-CH2 3.99Å; F176-W219 HydrophobicContact CB-CZ3 3.61Å; F176-W219 AromaticContact CD2-CD2 3.68Å; F176-W219 HydrophobicContact CD2-CD2 3.68Å; F176-W219 AromaticContact CD2-CE2 3.63Å; F176-W219 AromaticContact CD2-CE3 3.95Å; F176-W219 HydrophobicContact CD2-CE3 3.95Å; F176-W219 HydrophobicContact CD2-CG 4.23Å; F176-W219 HydrophobicContact CD2-CH2 4.17Å; F176-W219 AromaticContact CD2-CZ2 3.88Å; F176-W219 HydrophobicContact CD2-CZ2 3.88Å; F176-W219 HydrophobicContact CD2-CZ3 4.2Å; F176-W219 HydrophobicContact CG-CE3 4.41Å; F176-W219 HydrophobicContact CG-CH2 4.38Å; F176-W219 HydrophobicContact CG-CZ2 4.49Å; F176-W219 HydrophobicContact CG-CZ3 4.34Å; W219-F264 AromaticContact CH2-CE1 3.7Å; W219-F264 HydrophobicContact CH2-CE1 3.7Å; W219-F264 AromaticContact CH2-CZ 3.66Å; W219-F264 HydrophobicContact CH2-CZ 3.66Å; W219-F264 AromaticContact CZ3-CE1 3.71Å; W219-F264 HydrophobicContact CZ3-CE1 3.71Å; W219-F264 AromaticContact CZ3-CZ 3.74Å; W219-F264 HydrophobicContact CZ3-CZ 3.74Å
220	I	89.2	Confident	88.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.4	166.7	-56.6	171.1	0	0	0	106.6	M175 R177 L193 V210 V212 L222 F258	M175-I220 HydrophobicContact CB-CB 4.38Å; M175-I220 PolarHBondContact N-O 3Å; M175-I220 PolarHBondContact O-N 2.61Å; R177-I220 HydrophobicContact CB-CD1 4.33Å; L193-I220 HydrophobicContact CD1-CD1 4.34Å; L193-I220 HydrophobicContact CD2-CD1 4.14Å; L193-I220 HydrophobicContact CD2-CG2 4.37Å; V210-I220 HydrophobicContact CG1-CG2 3.83Å; V212-I220 HydrophobicContact CG1-CD1 4.35Å; V212-I220 HydrophobicContact CG1-CG1 4.35Å; V212-I220 HydrophobicContact CG1-CG2 4.05Å; V212-I220 HydrophobicContact CG2-CD1 4.27Å; I220-L222 HydrophobicContact CG2-CD1 4.1Å; I220-F258 HydrophobicContact CD1-CE1 3.86Å
221	V	90.8	Very high	88.7	Confident	7 Å²	7	37.8 Å²	37.8	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.6	-176.4	-170.9	0	0	0	0	109.6	E125 V126 L130 E172 L173 R174	E125-V221 HydrophobicContact CG-CG2 4.48Å; V126-V221 PolarHBondContact O-N 2.91Å; L130-V221 HydrophobicContact CD1-CG1 3.78Å; L130-V221 HydrophobicContact CG-CG1 4.13Å; E172-V221 HydrophobicContact CB-CG1 3.82Å; E172-V221 HydrophobicContact CG-CG1 4.43Å; L173-V221 WeakPolarHBondContact O-CA 3.5Å; R174-V221 HydrophobicContact CG-CG2 4.38Å
222	L	91.6	Very high	88.7	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.1	173.3	-66.8	104.9	0	0	0	110.6	E172 L173 M175 V195 V210 I220 A224	E172-L222 CarbonylContact C-O 3.44Å; E172-L222 VanDerWaalsContact CA-O 3.29Å; E172-L222 WeakPolarHBondContact CA-O 3.47Å; L173-L222 HydrophobicContact CB-CB 4.35Å; L173-L222 HydrophobicContact CD2-CD1 4.45Å; L173-L222 PolarHBondContact N-O 3.33Å; L173-L222 PolarHBondContact O-N 3.27Å; M175-L222 HydrophobicContact SD-CD1 4.15Å; V195-L222 HydrophobicContact CG2-CD1 4.38Å; V195-L222 HydrophobicContact CG2-CD2 3.77Å; V210-L222 HydrophobicContact CB-CD2 4.27Å; V210-L222 HydrophobicContact CB-CG 4.44Å; V210-L222 HydrophobicContact CG1-CD1 4.16Å; V210-L222 HydrophobicContact CG1-CD2 3.8Å; V210-L222 HydrophobicContact CG1-CG 3.84Å; I220-L222 HydrophobicContact CG2-CD1 4.1Å; L222-A224 PolarHBondContact O-N 2.79Å
223	N	89.6	Confident	88.8	Confident	72 Å²	72	40.7 Å²	40.7	39%	0.385	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	125	173.4	-169.6	-27.9	0	0	0	110.7	L130 A171 S208 T225	L130-N223 HydrophobicContact CD1-CB 4.16Å; A171-N223 PolarHBondContact O-OD1 3.22Å; S208-N223 VanDerWaalsContact CB-O 3.26Å; S208-N223 WeakPolarHBondContact CB-O 3.08Å; S208-N223 PolarHBondContact OG-O 3.29Å; N223-T225 WeakPolarHBondContact OD1-CB 3.32Å; N223-T225 PolarHBondContact OD1-N 2.95Å; N223-T225 PolarHBondContact OD1-OG1 3.06Å
224	A	92.8	Very high	89.1	Confident	3 Å²	3	40.6 Å²	40.6	3%	0.025	22%	0.216	C	C	.	.			trans	-120.5	13.4	177.7	0	0	0	0	0	112.7	A171 L173 L222 S226 I227 L228	A171-A224 HydrophobicContact CB-CB 4.45Å; A171-A224 CarbonylContact O-C 3.51Å; A171-A224 PolarHBondContact O-N 3.28Å; L173-A224 HydrophobicContact CB-CB 4.1Å; L222-A224 PolarHBondContact O-N 2.79Å; A224-S226 PolarHBondContact O-N 2.8Å; A224-I227 HydrophobicContact CB-CG2 3.99Å; A224-I227 WeakPolarHBondContact O-CG2 3.4Å; A224-I227 PolarHBondContact O-N 2.99Å; A224-L228 WeakPolarHBondContact O-CB 3.09Å; A224-L228 PolarHBondContact O-N 3.03Å
225	T	91.4	Very high	89.5	Confident	33 Å²	33	43 Å²	43	20%	0.202	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-48	-173.3	-54.2	0	0	0	0	112.3	F131 L168 A171 N223 I227 L228 H229	F131-T225 WeakPolarHBondContact CZ-OG1 3.47Å; L168-T225 HydrophobicContact CD2-CG2 4.02Å; A171-T225 PolarHBondContact N-OG1 3.41Å; A171-T225 PolarHBondContact O-N 3.46Å; A171-T225 PolarHBondContact O-OG1 3.13Å; N223-T225 WeakPolarHBondContact OD1-CB 3.32Å; N223-T225 PolarHBondContact OD1-N 2.95Å; N223-T225 PolarHBondContact OD1-OG1 3.06Å; T225-I227 VanDerWaalsContact C-N 3.34Å; T225-I227 PolarHBondContact O-N 3.23Å; T225-L228 PolarHBondContact O-N 3.35Å; T225-H229 VanDerWaalsContact O-CB 3.25Å; T225-H229 WeakPolarHBondContact O-CB 3.48Å; T225-H229 PolarHBondContact O-N 2.83Å
226	S	92.4	Very high	90	Very high	72 Å²	72	42.4 Å²	42.4	50%	0.503	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-40.1	-177.2	55.3	0	0	0	0	112.2	A224 Y230	A224-S226 PolarHBondContact O-N 2.8Å; S226-Y230 WeakPolarHBondContact O-CB 3.21Å; S226-Y230 PolarHBondContact O-N 3.06Å; S226-Y230 VanDerWaalsContact O-N 3.07Å
227	I	93.8	Very high	90.4	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-75.6	-41.7	-179.8	-170.3	66.1	0	0	0	112.1	K197 I207 A224 T225 H229 Y230 W231 L241	K197-I227 HydrophobicContact CB-CD1 3.92Å; K197-I227 HydrophobicContact CD-CD1 3.59Å; K197-I227 HydrophobicContact CG-CD1 3.68Å; I207-I227 HydrophobicContact CD1-CB 4.4Å; I207-I227 HydrophobicContact CD1-CD1 4.27Å; I207-I227 HydrophobicContact CG1-CB 4.41Å; I207-I227 HydrophobicContact CG2-CB 4.08Å; I207-I227 HydrophobicContact CG2-CG2 4.04Å; A224-I227 HydrophobicContact CB-CG2 3.99Å; A224-I227 WeakPolarHBondContact O-CG2 3.4Å; A224-I227 PolarHBondContact O-N 2.99Å; T225-I227 VanDerWaalsContact C-N 3.34Å; T225-I227 PolarHBondContact O-N 3.23Å; I227-H229 PolarHBondContact O-N 3.24Å; I227-Y230 HydrophobicContact CD1-CD1 4.4Å; I227-Y230 WeakPolarHBondContact O-CB 3.17Å; I227-Y230 PolarHBondContact O-N 2.84Å; I227-Y230 VanDerWaalsContact O-N 3.14Å; I227-W231 HydrophobicContact CD1-CD2 4.27Å; I227-W231 HydrophobicContact CD1-CH2 4.48Å; I227-W231 HydrophobicContact CD1-CZ2 3.76Å; I227-W231 HydrophobicContact CG1-CD2 3.9Å; I227-W231 HydrophobicContact CG1-CE3 4.1Å; I227-W231 HydrophobicContact CG1-CH2 3.68Å; I227-W231 HydrophobicContact CG1-CZ2 3.44Å; I227-W231 VanDerWaalsContact CG1-CZ2 3.44Å; I227-W231 HydrophobicContact CG1-CZ3 3.99Å; I227-W231 PolarHBondContact O-N 3.29Å; I227-L241 HydrophobicContact CG1-CD2 4.04Å
228	L	93.9	Very high	90.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.2	-45.2	177.3	-171.4	61.1	0	0	0	110.3	F142 V159 L168 A171 A224 T225 Y230 W231 T232 I265 F269	F142-L228 HydrophobicContact CD2-CD1 4.38Å; F142-L228 HydrophobicContact CE2-CD1 4.04Å; F142-L228 HydrophobicContact CE2-CD2 3.95Å; F142-L228 HydrophobicContact CZ-CD1 4.44Å; V159-L228 HydrophobicContact CB-CD1 4.32Å; V159-L228 HydrophobicContact CG1-CD1 3.46Å; V159-L228 VanDerWaalsContact CG1-CD1 3.46Å; L168-L228 HydrophobicContact CD1-CD2 3.78Å; L168-L228 HydrophobicContact CD1-CG 4.42Å; L168-L228 HydrophobicContact CD2-CB 4.12Å; L168-L228 HydrophobicContact CD2-CD2 4.41Å; L168-L228 HydrophobicContact CD2-CG 4.33Å; A171-L228 HydrophobicContact CB-CB 3.82Å; A171-L228 HydrophobicContact CB-CD2 3.41Å; A171-L228 VanDerWaalsContact CB-CD2 3.41Å; A171-L228 HydrophobicContact CB-CG 4.23Å; A224-L228 WeakPolarHBondContact O-CB 3.09Å; A224-L228 PolarHBondContact O-N 3.03Å; T225-L228 PolarHBondContact O-N 3.35Å; L228-Y230 VanDerWaalsContact C-N 3.28Å; L228-Y230 PolarHBondContact O-N 3.4Å; L228-W231 PolarHBondContact O-N 3.16Å; L228-T232 WeakPolarHBondContact O-CG2 3.42Å; L228-T232 PolarHBondContact O-N 3.14Å; L228-T232 PolarHBondContact O-OG1 2.91Å; L228-I265 HydrophobicContact CD1-CG2 4.48Å; L228-I265 HydrophobicContact CD2-CG2 4.12Å; L228-F269 HydrophobicContact CD2-CZ 4.03Å
229	H	92.8	Very high	91	Very high	106 Å²	106	43.8 Å²	43.8	49%	0.491	24%	0.237	S	C	.	.	H	α-helix	trans	-58.6	-38.7	173.3	-179.1	-88.9	0	0	0	112.7	L168 T225 I227 T232 V233	L168-H229 HydrophobicContact CD2-CB 3.87Å; T225-H229 VanDerWaalsContact O-CB 3.25Å; T225-H229 WeakPolarHBondContact O-CB 3.48Å; T225-H229 PolarHBondContact O-N 2.83Å; I227-H229 PolarHBondContact O-N 3.24Å; H229-T232 WeakPolarHBondContact CA-OG1 3.37Å; H229-T232 PolarHBondContact O-OG1 3.07Å; H229-V233 WeakPolarHBondContact O-CG2 3.34Å; H229-V233 PolarHBondContact O-N 2.97Å
230	Y	92.7	Very high	91.1	Very high	68 Å²	68	43.3 Å²	43.3	27%	0.267	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-42.4	178	176.7	-97.5	0	0	0	112.2	S226 I227 L228 V233 H234 K237	S226-Y230 WeakPolarHBondContact O-CB 3.21Å; S226-Y230 PolarHBondContact O-N 3.06Å; S226-Y230 VanDerWaalsContact O-N 3.07Å; I227-Y230 HydrophobicContact CD1-CD1 4.4Å; I227-Y230 WeakPolarHBondContact O-CB 3.17Å; I227-Y230 PolarHBondContact O-N 2.84Å; I227-Y230 VanDerWaalsContact O-N 3.14Å; L228-Y230 VanDerWaalsContact C-N 3.28Å; L228-Y230 PolarHBondContact O-N 3.4Å; Y230-V233 PolarHBondContact O-N 3.49Å; Y230-H234 AromaticContact CE2-ND1 3.84Å; Y230-H234 PolarHBondContact O-N 2.96Å; Y230-K237 HydrophobicContact CE1-CB 4.02Å; Y230-K237 WeakPolarHBondContact OH-CD 3.27Å
231	W	93.1	Very high	91.3	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-75.5	-28.2	180	-64.7	-33.1	0	0	0	114.1	Y157 V159 I227 L228 V233 H234 P235 N238 L241 I265	Y157-W231 HydrophobicContact CD2-CH2 4.3Å; Y157-W231 HydrophobicContact CD2-CZ3 4.19Å; V159-W231 HydrophobicContact CG1-CE3 4.4Å; V159-W231 HydrophobicContact CG2-CB 3.62Å; I227-W231 HydrophobicContact CD1-CD2 4.27Å; I227-W231 HydrophobicContact CD1-CH2 4.48Å; I227-W231 HydrophobicContact CD1-CZ2 3.76Å; I227-W231 HydrophobicContact CG1-CD2 3.9Å; I227-W231 HydrophobicContact CG1-CE3 4.1Å; I227-W231 HydrophobicContact CG1-CH2 3.68Å; I227-W231 HydrophobicContact CG1-CZ2 3.44Å; I227-W231 VanDerWaalsContact CG1-CZ2 3.44Å; I227-W231 HydrophobicContact CG1-CZ3 3.99Å; I227-W231 PolarHBondContact O-N 3.29Å; L228-W231 PolarHBondContact O-N 3.16Å; W231-V233 VanDerWaalsContact C-N 3.27Å; W231-V233 PolarHBondContact O-N 2.81Å; W231-H234 CarbonylContact O-C 3.41Å; W231-H234 VanDerWaalsContact O-C 3.26Å; W231-H234 PolarHBondContact O-N 3.18Å; W231-P235 VanDerWaalsContact O-CA 3.23Å; W231-P235 WeakPolarHBondContact O-CA 3.19Å; W231-P235 WeakPolarHBondContact O-CD 3.41Å; W231-N238 HydrophobicContact CD2-CB 4.42Å; W231-N238 HydrophobicContact CG-CB 4.09Å; W231-L241 HydrophobicContact CH2-CD1 4.23Å; W231-L241 HydrophobicContact CH2-CD2 3.61Å; W231-L241 HydrophobicContact CH2-CG 3.72Å; W231-L241 HydrophobicContact CZ2-CD2 3.82Å; W231-L241 HydrophobicContact CZ2-CG 4.31Å; W231-I265 HydrophobicContact CZ3-CD1 3.96Å
232	T	90.5	Very high	91.4	Very high	46 Å²	46	44.8 Å²	44.8	28%	0.282	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-33.8	172.6	55.4	0	0	0	0	111.6	V162 L228 H229	V162-T232 HydrophobicContact CB-CG2 4.05Å; V162-T232 HydrophobicContact CG1-CG2 3.8Å; V162-T232 HydrophobicContact CG2-CG2 4.12Å; L228-T232 WeakPolarHBondContact O-CG2 3.42Å; L228-T232 PolarHBondContact O-N 3.14Å; L228-T232 PolarHBondContact O-OG1 2.91Å; H229-T232 WeakPolarHBondContact CA-OG1 3.37Å; H229-T232 PolarHBondContact O-OG1 3.07Å
233	V	89.9	Confident	91.4	Very high	83 Å²	83	44.6 Å²	44.6	50%	0.503	24%	0.241	S	C	.	.	H	α-helix	trans	-80.7	-36	175	-178.1	0	0	0	0	111.9	H229 Y230 W231	H229-V233 WeakPolarHBondContact O-CG2 3.34Å; H229-V233 PolarHBondContact O-N 2.97Å; Y230-V233 PolarHBondContact O-N 3.49Å; W231-V233 VanDerWaalsContact C-N 3.27Å; W231-V233 PolarHBondContact O-N 2.81Å
234	H	90.3	Very high	91.4	Very high	65 Å²	65	41.8 Å²	41.8	30%	0.301	23%	0.227	S	C	.	.			trans	-128.3	71.7	-177.2	-55.2	96.9	0	0	0	111.7	Y230 W231 D236 K237	Y230-H234 AromaticContact CE2-ND1 3.84Å; Y230-H234 PolarHBondContact O-N 2.96Å; W231-H234 CarbonylContact O-C 3.41Å; W231-H234 VanDerWaalsContact O-C 3.26Å; W231-H234 PolarHBondContact O-N 3.18Å; H234-D236 PolarHBondContact O-N 2.65Å; H234-K237 HydrophobicContact CB-CB 4.11Å; H234-K237 HydrophobicContact CB-CD 4.03Å; H234-K237 HydrophobicContact CB-CG 4.11Å; H234-K237 PolarHBondContact O-N 3.06Å
235	P	87.6	Confident	91.3	Very high	67 Å²	67	41.7 Å²	41.7	44%	0.435	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-63.7	-28.7	-177.6	24.3	-33.9	0	0	0	112.5	W231 K237 N238	W231-P235 VanDerWaalsContact O-CA 3.23Å; W231-P235 WeakPolarHBondContact O-CA 3.19Å; W231-P235 WeakPolarHBondContact O-CD 3.41Å; P235-K237 PolarHBondContact O-N 3.07Å; P235-N238 WeakPolarHBondContact O-CB 3.38Å; P235-N238 PolarHBondContact O-N 3.32Å
236	D	88.7	Confident	91.3	Very high	130 Å²	130	41 Å²	41	70%	0.695	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-64.9	-22.9	175.7	63.5	-60.4	0	0	0	113.3	H234	H234-D236 PolarHBondContact O-N 2.65Å
237	K	88.9	Confident	91.1	Very high	96 Å²	96	37.9 Å²	37.9	42%	0.417	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-95.6	11.2	-178.3	-60.4	-173.8	-176.1	169.7	0	113.4	Y230 H234 P235 S239	Y230-K237 HydrophobicContact CE1-CB 4.02Å; Y230-K237 WeakPolarHBondContact OH-CD 3.27Å; H234-K237 HydrophobicContact CB-CB 4.11Å; H234-K237 HydrophobicContact CB-CD 4.03Å; H234-K237 HydrophobicContact CB-CG 4.11Å; H234-K237 PolarHBondContact O-N 3.06Å; P235-K237 PolarHBondContact O-N 3.07Å; K237-S239 PolarHBondContact O-N 2.8Å; K237-S239 VanDerWaalsContact O-N 3.12Å
238	N	91.2	Very high	90.8	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.059	23%	0.226	C	C	.	.			trans	-79.1	93.5	178.1	-175	-5.2	0	0	0	111.9	Y157 W231 P235 G240	Y157-N238 PolarHBondContact O-ND2 3.46Å; W231-N238 HydrophobicContact CD2-CB 4.42Å; W231-N238 HydrophobicContact CG-CB 4.09Å; P235-N238 WeakPolarHBondContact O-CB 3.38Å; P235-N238 PolarHBondContact O-N 3.32Å; N238-G240 PolarHBondContact OD1-N 2.81Å
239	S	89.9	Confident	90.4	Very high	41 Å²	41	50.3 Å²	50.3	29%	0.287	26%	0.256	S	S	.	.			trans	-97.5	3.5	176.8	-52.8	0	0	0	0	113.5	V198 N200 K237	V198-S239 WeakPolarHBondContact O-CB 3.21Å; N200-S239 PolarHBondContact ND2-OG 3.18Å; K237-S239 PolarHBondContact O-N 2.8Å; K237-S239 VanDerWaalsContact O-N 3.12Å
240	G	92	Very high	90	Very high	2 Å²	2	51.5 Å²	51.5	2%	0.021	27%	0.266	C	S	.	.			trans	88.2	-176.8	-178.1	0	0	0	0	0	115.4	Y155 V198 N238	Y155-G240 CarbonylContact O-C 3.53Å; Y155-G240 WeakPolarHBondContact O-CA 3.37Å; V198-G240 PolarHBondContact N-O 2.81Å; V198-G240 VanDerWaalsContact N-O 3.07Å; N238-G240 PolarHBondContact OD1-N 2.81Å
241	L	93.5	Very high	89.8	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	150.7	176.7	-56.2	179.5	0	0	0	110.5	R154 Y155 Y157 V195 F196 I227 W231 I265	R154-L241 CarbonylContact C-O 3.48Å; R154-L241 VanDerWaalsContact CA-O 3.25Å; R154-L241 WeakPolarHBondContact CA-O 3.41Å; Y155-L241 PolarHBondContact N-O 3.04Å; Y155-L241 PolarHBondContact O-N 3.27Å; Y157-L241 HydrophobicContact CD2-CD1 4.32Å; Y157-L241 HydrophobicContact CE2-CD1 3.79Å; Y157-L241 HydrophobicContact CE2-CG 4.29Å; V195-L241 HydrophobicContact CG1-CB 4.32Å; V195-L241 HydrophobicContact CG1-CD1 3.76Å; V195-L241 HydrophobicContact CG1-CD2 4.23Å; V195-L241 HydrophobicContact CG1-CG 4.32Å; F196-L241 CarbonylContact O-C 3.48Å; F196-L241 VanDerWaalsContact O-CA 3.22Å; F196-L241 WeakPolarHBondContact O-CA 3.25Å; I227-L241 HydrophobicContact CG1-CD2 4.04Å; W231-L241 HydrophobicContact CH2-CD1 4.23Å; W231-L241 HydrophobicContact CH2-CD2 3.61Å; W231-L241 HydrophobicContact CH2-CG 3.72Å; W231-L241 HydrophobicContact CZ2-CD2 3.82Å; W231-L241 HydrophobicContact CZ2-CG 4.31Å; L241-I265 HydrophobicContact CD1-CD1 4.44Å
242	E	91.7	Very high	89.6	Confident	36 Å²	36	60.9 Å²	60.9	17%	0.168	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.4	162.9	-175.7	-176.9	-175.2	0	0	108.1	S153 F196 V198 N204 V244 R252	S153-E242 WeakPolarHBondContact O-CA 3.44Å; F196-E242 HydrophobicContact CB-CB 4.44Å; F196-E242 PolarHBondContact N-O 3.37Å; F196-E242 PolarHBondContact O-N 3.12Å; V198-E242 HydrophobicContact CG2-CB 3.91Å; N204-E242 PolarHBondContact ND2-OE2 2.87Å; E242-V244 HydrophobicContact CG-CG2 3.94Å; E242-R252 IonicContact OE1-CZ 3.79Å; E242-R252 IonicContact OE1-NH2 2.64Å; E242-R252 PolarHBondContact OE1-NH2 2.71Å
243	I	92	Very high	89.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.7	176.2	-55.4	-178.5	0	0	0	108	S153 Y155 L173 M175 V195 I245	S153-I243 WeakPolarHBondContact CB-O 3.26Å; S153-I243 PolarHBondContact O-N 3.15Å; Y155-I243 HydrophobicContact CD2-CB 4.23Å; Y155-I243 HydrophobicContact CD2-CD1 3.54Å; Y155-I243 HydrophobicContact CD2-CG1 3.62Å; Y155-I243 HydrophobicContact CE2-CB 3.88Å; Y155-I243 HydrophobicContact CE2-CD1 3.49Å; Y155-I243 VanDerWaalsContact CE2-CD1 3.49Å; Y155-I243 HydrophobicContact CE2-CG1 3.7Å; Y155-I243 HydrophobicContact CG-CD1 4.11Å; L173-I243 HydrophobicContact CD2-CD1 3.97Å; M175-I243 HydrophobicContact CE-CD1 3.96Å; M175-I243 HydrophobicContact CE-CG2 3.93Å; M175-I243 HydrophobicContact SD-CD1 3.99Å; M175-I243 HydrophobicContact SD-CG2 4.19Å; V195-I243 HydrophobicContact CG2-CG1 4.36Å; I243-I245 HydrophobicContact CG2-CG1 4.45Å
244	V	90.6	Very high	89.2	Confident	14 Å²	14	58.1 Å²	58.1	9%	0.085	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127	-179.7	-173.3	0	0	0	0	108.9	S194 F196 E242 R252	S194-V244 PolarHBondContact N-O 3.03Å; S194-V244 PolarHBondContact O-N 3Å; F196-V244 HydrophobicContact CD2-CB 4.43Å; F196-V244 HydrophobicContact CD2-CG2 3.89Å; F196-V244 HydrophobicContact CE2-CB 4.04Å; F196-V244 HydrophobicContact CE2-CG2 3.87Å; E242-V244 HydrophobicContact CG-CG2 3.94Å; V244-R252 HydrophobicContact CG1-CB 4.49Å; V244-R252 HydrophobicContact CG1-CG 4.05Å; V244-R252 VanDerWaalsContact CG1-NE 3.33Å
245	I	90.8	Very high	88.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.8	178.9	-54.6	-177.4	0	0	0	106.6	V191 L193 I243 R252 W253 A255 F258 V260	V191-I245 HydrophobicContact CG1-CG2 3.27Å; L193-I245 HydrophobicContact CD2-CD1 4.24Å; L193-I245 HydrophobicContact CD2-CG1 4.28Å; L193-I245 HydrophobicContact CG-CG1 4.14Å; L193-I245 HydrophobicContact CG-CG2 4.48Å; I243-I245 HydrophobicContact CG2-CG1 4.45Å; I245-R252 CarbonylContact O-C 3.58Å; I245-R252 WeakPolarHBondContact O-CA 3.43Å; I245-W253 HydrophobicContact CB-CB 4.19Å; I245-W253 HydrophobicContact CG2-CB 4.3Å; I245-W253 PolarHBondContact O-N 2.78Å; I245-A255 HydrophobicContact CD1-CB 4.49Å; I245-F258 HydrophobicContact CD1-CB 3.42Å; I245-F258 VanDerWaalsContact CD1-CB 3.42Å; I245-F258 HydrophobicContact CD1-CD1 3.58Å; I245-F258 HydrophobicContact CD1-CE1 4.47Å; I245-F258 HydrophobicContact CD1-CG 3.62Å; I245-F258 HydrophobicContact CG2-CB 4.27Å; I245-F258 HydrophobicContact CG2-CD1 4.34Å; I245-F258 HydrophobicContact CG2-CD2 3.83Å; I245-F258 HydrophobicContact CG2-CE2 4.25Å; I245-F258 HydrophobicContact CG2-CG 3.9Å; I245-V260 HydrophobicContact CD1-CG2 4.33Å
246	S	90.9	Very high	88.8	Confident	20 Å²	20	55 Å²	55	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.7	-176.6	58.4	0	0	0	0	112.3	R192 H251	R192-S246 PolarHBondContact N-O 3.33Å; R192-S246 PolarHBondContact O-N 2.79Å; R192-S246 PolarHBondContact O-OG 3.46Å; S246-H251 VanDerWaalsContact CA-O 3.27Å; S246-H251 WeakPolarHBondContact CA-O 3.43Å
247	D	89	Confident	88.6	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.027	25%	0.251	C	S	.	.			trans	-82.2	176.9	173.9	77.4	-0	0	0	0	112.3	I186 A187 K249 N250 H251	I186-D247 HydrophobicContact CG2-CB 4.16Å; A187-D247 WeakPolarHBondContact O-CB 3.33Å; D247-K249 PolarHBondContact O-N 3.31Å; D247-K249 VanDerWaalsContact O-N 3.11Å; D247-K249 VanDerWaalsContact OD1-CA 3.26Å; D247-K249 WeakPolarHBondContact OD1-CA 3.47Å; D247-K249 WeakPolarHBondContact OD1-CB 3.47Å; D247-K249 PolarHBondContact OD1-N 3.29Å; D247-N250 PolarHBondContact O-N 3.28Å; D247-N250 PolarHBondContact OD1-N 3.3Å; D247-H251 PolarHBondContact N-O 3.42Å; D247-H251 IonicContact OD1-CG 2.72Å; D247-H251 PolarHBondContact OD1-N 3.11Å; D247-H251 IonicContact OD1-ND1 2.65Å; D247-H251 PolarHBondContact OD1-ND1 3.12Å; D247-H251 IonicContact OD2-CG 2.76Å; D247-H251 IonicContact OD2-ND1 3.67Å; D247-H251 PolarHBondContact OD2-ND1 3.24Å
248	E	86.2	Confident	88.5	Confident	122 Å²	122	46.7 Å²	46.7	57%	0.57	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.9	177.6	-68.1	176.3	-163.3	0	0	113.7	G188 N189 E190	G188-E248 WeakPolarHBondContact CA-OE1 3.09Å; N189-E248 PolarHBondContact N-OE1 2.87Å; N189-E248 VanDerWaalsContact N-OE1 3.11Å; E190-E248 PolarHBondContact N-OE1 3.48Å
249	K	86.1	Confident	88.2	Confident	143 Å²	143	46.6 Å²	46.6	62%	0.622	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	6	176.9	-65	179.4	-177	172.3	0	112.5	A187 D247 H251	A187-K249 HydrophobicContact CB-CD 3.82Å; A187-K249 HydrophobicContact CB-CG 4.31Å; D247-K249 PolarHBondContact O-N 3.31Å; D247-K249 VanDerWaalsContact O-N 3.11Å; D247-K249 VanDerWaalsContact OD1-CA 3.26Å; D247-K249 WeakPolarHBondContact OD1-CA 3.47Å; D247-K249 WeakPolarHBondContact OD1-CB 3.47Å; D247-K249 PolarHBondContact OD1-N 3.29Å; K249-H251 VanDerWaalsContact C-N 3.26Å; K249-H251 VanDerWaalsContact CB-CE1 3.47Å; K249-H251 WeakPolarHBondContact CB-CE1 3.23Å; K249-H251 WeakPolarHBondContact CB-ND1 3.41Å; K249-H251 PolarHBondContact O-N 2.77Å
250	N	84.7	Confident	88.1	Confident	130 Å²	130	45.3 Å²	45.3	70%	0.695	22%	0.224	S	C	*	.			trans	61.8	23.2	-174.9	-53.7	-64.9	0	0	0	114.9	D247	D247-N250 PolarHBondContact O-N 3.28Å; D247-N250 PolarHBondContact OD1-N 3.3Å
251	H	88.7	Confident	87.7	Confident	104 Å²	104	47.3 Å²	47.3	48%	0.481	24%	0.235	S	C	.	.			trans	-69.1	134.1	166.7	-60	100.2	0	0	0	109.5	S246 D247 K249 W253	S246-H251 VanDerWaalsContact CA-O 3.27Å; S246-H251 WeakPolarHBondContact CA-O 3.43Å; D247-H251 PolarHBondContact N-O 3.42Å; D247-H251 IonicContact OD1-CG 2.72Å; D247-H251 PolarHBondContact OD1-N 3.11Å; D247-H251 IonicContact OD1-ND1 2.65Å; D247-H251 PolarHBondContact OD1-ND1 3.12Å; D247-H251 IonicContact OD2-CG 2.76Å; D247-H251 IonicContact OD2-ND1 3.67Å; D247-H251 PolarHBondContact OD2-ND1 3.24Å; K249-H251 VanDerWaalsContact C-N 3.26Å; K249-H251 VanDerWaalsContact CB-CE1 3.47Å; K249-H251 WeakPolarHBondContact CB-CE1 3.23Å; K249-H251 WeakPolarHBondContact CB-ND1 3.41Å; K249-H251 PolarHBondContact O-N 2.77Å; H251-W253 VanDerWaalsContact O-CD1 3.3Å
252	R	87.8	Confident	87.5	Confident	163 Å²	163	48.4 Å²	48.4	62%	0.615	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.3	176.8	-63.1	-178.7	67.8	175.9	-0.8	109.6	E242 V244 I245	E242-R252 IonicContact OE1-CZ 3.79Å; E242-R252 IonicContact OE1-NH2 2.64Å; E242-R252 PolarHBondContact OE1-NH2 2.71Å; V244-R252 HydrophobicContact CG1-CB 4.49Å; V244-R252 HydrophobicContact CG1-CG 4.05Å; V244-R252 VanDerWaalsContact CG1-NE 3.33Å; I245-R252 CarbonylContact O-C 3.58Å; I245-R252 WeakPolarHBondContact O-CA 3.43Å
253	W	86.8	Confident	87.5	Confident	39 Å²	39	46.9 Å²	46.9	15%	0.148	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.5	176.6	-57.7	87.7	0	0	0	109.4	L185 I186 I245 H251 D257	L185-W253 HydrophobicContact CB-CH2 3.59Å; L185-W253 HydrophobicContact CB-CZ3 4.1Å; I186-W253 HydrophobicContact CG1-CD2 4.2Å; I186-W253 HydrophobicContact CG1-CE3 4.48Å; I186-W253 HydrophobicContact CG1-CH2 4.44Å; I186-W253 HydrophobicContact CG1-CZ2 4.15Å; I245-W253 HydrophobicContact CB-CB 4.19Å; I245-W253 HydrophobicContact CG2-CB 4.3Å; I245-W253 PolarHBondContact O-N 2.78Å; H251-W253 VanDerWaalsContact O-CD1 3.3Å; W253-D257 HydrophobicContact CE3-CB 4.13Å
254	T	85	Confident	87.5	Confident	31 Å²	31	46.9 Å²	46.9	19%	0.19	23%	0.234	C	C	.	.			trans	-76.5	161	169.5	71.3	0	0	0	0	110.1	S256 D257 F258	T254-S256 VanDerWaalsContact C-N 3.25Å; T254-S256 PolarHBondContact O-N 3.24Å; T254-D257 WeakPolarHBondContact CB-OD2 3.39Å; T254-D257 WeakPolarHBondContact CG2-OD2 3.41Å; T254-D257 PolarHBondContact N-OD2 2.95Å; T254-D257 PolarHBondContact O-N 3.43Å; T254-D257 PolarHBondContact OG1-N 3.24Å; T254-D257 VanDerWaalsContact OG1-N 3.07Å; T254-D257 PolarHBondContact OG1-OD1 2.93Å; T254-D257 PolarHBondContact OG1-OD2 2.69Å; T254-F258 PolarHBondContact O-N 2.83Å
255	A	85.8	Confident	87.7	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-38.9	175.3	0	0	0	0	0	111.8	Y155 I245 F258 G259 V260	Y155-A255 WeakPolarHBondContact OH-CB 3.12Å; I245-A255 HydrophobicContact CD1-CB 4.49Å; A255-F258 PolarHBondContact O-N 3.25Å; A255-G259 PolarHBondContact O-N 2.99Å; A255-V260 HydrophobicContact CB-CB 3.95Å; A255-V260 HydrophobicContact CB-CG1 4.45Å; A255-V260 HydrophobicContact CB-CG2 4.04Å; A255-V260 VanDerWaalsContact O-CB 3.29Å; A255-V260 WeakPolarHBondContact O-CB 3.39Å; A255-V260 WeakPolarHBondContact O-CG2 3.36Å; A255-V260 PolarHBondContact O-N 2.89Å
256	S	83.8	Confident	87.9	Confident	65 Å²	65	46.2 Å²	46.2	46%	0.455	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-46	174.4	-57	0	0	0	0	111.7	T254 F258 G259	T254-S256 VanDerWaalsContact C-N 3.25Å; T254-S256 PolarHBondContact O-N 3.24Å; S256-F258 VanDerWaalsContact C-N 3.25Å; S256-F258 PolarHBondContact O-N 3.28Å; S256-G259 PolarHBondContact O-N 3.33Å
257	D	85.1	Confident	88	Confident	50 Å²	50	45.2 Å²	45.2	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-33.9	176.9	-58.4	-38.5	0	0	0	112.1	S180 L182 W253 T254 G259	S180-D257 WeakPolarHBondContact CB-O 3.41Å; S180-D257 PolarHBondContact OG-O 3.47Å; L182-D257 HydrophobicContact CD1-CB 3.95Å; L182-D257 VanDerWaalsContact CD1-OD1 3.23Å; L182-D257 WeakPolarHBondContact CD1-OD1 3.49Å; W253-D257 HydrophobicContact CE3-CB 4.13Å; T254-D257 WeakPolarHBondContact CB-OD2 3.39Å; T254-D257 WeakPolarHBondContact CG2-OD2 3.41Å; T254-D257 PolarHBondContact N-OD2 2.95Å; T254-D257 PolarHBondContact O-N 3.43Å; T254-D257 PolarHBondContact OG1-N 3.24Å; T254-D257 VanDerWaalsContact OG1-N 3.07Å; T254-D257 PolarHBondContact OG1-OD1 2.93Å; T254-D257 PolarHBondContact OG1-OD2 2.69Å; D257-G259 PolarHBondContact O-N 2.99Å
258	F	86.1	Confident	88.2	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-75.8	-11.6	178	-170.1	-118.7	0	0	0	113.7	R177 I186 V191 L193 V212 I220 I245 T254 A255 S256 V260	R177-F258 VanDerWaalsContact CD-CE1 3.45Å; R177-F258 PolarHBondContact NE-O 3.28Å; R177-F258 VanDerWaalsContact NE-O 3.1Å; I186-F258 HydrophobicContact CD1-CD2 3.56Å; I186-F258 HydrophobicContact CD1-CE2 3.89Å; V191-F258 HydrophobicContact CB-CE2 4.08Å; V191-F258 HydrophobicContact CB-CZ 4.34Å; V191-F258 HydrophobicContact CG1-CD2 4.42Å; V191-F258 HydrophobicContact CG1-CE2 3.85Å; V191-F258 HydrophobicContact CG1-CZ 4.23Å; V191-F258 HydrophobicContact CG2-CE2 4Å; L193-F258 HydrophobicContact CD1-CE1 4.12Å; L193-F258 HydrophobicContact CD1-CZ 4.29Å; L193-F258 HydrophobicContact CD2-CE1 4.25Å; V212-F258 HydrophobicContact CG2-CZ 3.96Å; I220-F258 HydrophobicContact CD1-CE1 3.86Å; I245-F258 HydrophobicContact CD1-CB 3.42Å; I245-F258 VanDerWaalsContact CD1-CB 3.42Å; I245-F258 HydrophobicContact CD1-CD1 3.58Å; I245-F258 HydrophobicContact CD1-CE1 4.47Å; I245-F258 HydrophobicContact CD1-CG 3.62Å; I245-F258 HydrophobicContact CG2-CB 4.27Å; I245-F258 HydrophobicContact CG2-CD1 4.34Å; I245-F258 HydrophobicContact CG2-CD2 3.83Å; I245-F258 HydrophobicContact CG2-CE2 4.25Å; I245-F258 HydrophobicContact CG2-CG 3.9Å; T254-F258 PolarHBondContact O-N 2.83Å; A255-F258 PolarHBondContact O-N 3.25Å; S256-F258 VanDerWaalsContact C-N 3.25Å; S256-F258 PolarHBondContact O-N 3.28Å; F258-V260 HydrophobicContact CB-CG2 4.43Å; F258-V260 HydrophobicContact CD1-CG2 3.89Å
259	G	86.4	Confident	88.4	Confident	9 Å²	9	39.2 Å²	39.2	9%	0.093	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	23.5	-177.9	0	0	0	0	0	113.9	R177 N178 A255 S256 D257 V261	R177-G259 WeakPolarHBondContact CA-O 3.49Å; N178-G259 PolarHBondContact N-O 2.79Å; A255-G259 PolarHBondContact O-N 2.99Å; S256-G259 PolarHBondContact O-N 3.33Å; D257-G259 PolarHBondContact O-N 2.99Å; G259-V261 PolarHBondContact O-N 3.1Å
260	V	86.8	Confident	88.5	Confident	15 Å²	15	33.2 Å²	33.2	9%	0.091	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	118.1	172.1	-178.3	0	0	0	0	108.3	M175 F176 I245 A255 F258	M175-V260 HydrophobicContact CB-CG1 4.29Å; M175-V260 HydrophobicContact CE-CB 4.26Å; M175-V260 HydrophobicContact CE-CG1 3.71Å; M175-V260 HydrophobicContact CE-CG2 3.62Å; F176-V260 WeakPolarHBondContact O-CA 3.41Å; I245-V260 HydrophobicContact CD1-CG2 4.33Å; A255-V260 HydrophobicContact CB-CB 3.95Å; A255-V260 HydrophobicContact CB-CG1 4.45Å; A255-V260 HydrophobicContact CB-CG2 4.04Å; A255-V260 VanDerWaalsContact O-CB 3.29Å; A255-V260 WeakPolarHBondContact O-CB 3.39Å; A255-V260 WeakPolarHBondContact O-CG2 3.36Å; A255-V260 PolarHBondContact O-N 2.89Å; F258-V260 HydrophobicContact CB-CG2 4.43Å; F258-V260 HydrophobicContact CD1-CG2 3.89Å
261	V	84.9	Confident	88.4	Confident	43 Å²	43	28.8 Å²	28.8	26%	0.261	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-40.5	-177.4	179.1	0	0	0	0	110.9	H76 F176 N178 G259	H76-V261 HydrophobicContact CB-CG1 3.56Å; F176-V261 HydrophobicContact CD1-CB 4.28Å; F176-V261 PolarHBondContact O-N 3.12Å; N178-V261 HydrophobicContact CB-CG2 3.58Å; G259-V261 PolarHBondContact O-N 3.1Å
262	D	88	Confident	87.5	Confident	25 Å²	25	27.9 Å²	27.9	13%	0.134	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	152.3	-178.6	-159.4	1.5	0	0	0	111.2	N77 M78 L79 M175 F176	N77-D262 PolarHBondContact OD1-OD2 3.33Å; M78-D262 HydrophobicContact CB-CB 4.23Å; M78-D262 HydrophobicContact CG-CB 4.1Å; M78-D262 PolarHBondContact N-OD2 3.47Å; L79-D262 PolarHBondContact N-OD2 3.37Å; M175-D262 WeakPolarHBondContact CA-O 3.43Å; F176-D262 PolarHBondContact N-O 3.35Å
263	C	91.3	Very high	85.9	Confident	3 Å²	3	26.2 Å²	26.2	2%	0.02	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	118.3	-175.7	-173.8	0	0	0	0	110.5	Y155 Y157 R174 M175	Y155-C263 HydrophobicContact CD1-CB 4.07Å; Y155-C263 HydrophobicContact CE1-CB 3.65Å; Y157-C263 PolarHBondContact OH-SG 3.19Å; R174-C263 WeakPolarHBondContact O-CA 3.48Å; M175-C263 HydrophobicContact CG-CB 4.34Å
264	F	93.3	Very high	84.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	159.1	-178.8	56.6	-93.2	0	0	0	112.1	M78 L79 Y82 F142 R174 W219 V266	M78-F264 HydrophobicContact CB-CE1 4.44Å; L79-F264 HydrophobicContact CB-CD1 3.65Å; L79-F264 HydrophobicContact CB-CD2 4.36Å; L79-F264 HydrophobicContact CB-CE1 3.81Å; L79-F264 HydrophobicContact CB-CE2 4.5Å; L79-F264 HydrophobicContact CB-CG 3.94Å; L79-F264 HydrophobicContact CB-CZ 4.24Å; L79-F264 HydrophobicContact CD1-CB 3.62Å; L79-F264 HydrophobicContact CD1-CD1 4.3Å; L79-F264 HydrophobicContact CD1-CD2 4.17Å; L79-F264 HydrophobicContact CD1-CG 3.8Å; L79-F264 HydrophobicContact CG-CB 4.31Å; L79-F264 HydrophobicContact CG-CD1 4.17Å; L79-F264 HydrophobicContact CG-CD2 4.02Å; L79-F264 HydrophobicContact CG-CE1 4.49Å; L79-F264 HydrophobicContact CG-CE2 4.36Å; L79-F264 HydrophobicContact CG-CG 3.92Å; Y82-F264 AromaticContact CD1-CE2 3.89Å; Y82-F264 HydrophobicContact CD1-CE2 3.89Å; Y82-F264 HydrophobicContact CD1-CZ 4.13Å; Y82-F264 HydrophobicContact CE1-CE2 4.43Å; Y82-F264 HydrophobicContact CG-CE2 4.3Å; Y82-F264 HydrophobicContact CG-CZ 4.08Å; F142-F264 WeakPolarHBondContact O-CB 3.32Å; R174-F264 HydrophobicContact CB-CD2 4.4Å; R174-F264 HydrophobicContact CB-CE2 4.02Å; R174-F264 HydrophobicContact CB-CZ 4.18Å; R174-F264 PolarHBondContact N-O 3.13Å; R174-F264 PolarHBondContact O-N 3.22Å; W219-F264 AromaticContact CH2-CE1 3.7Å; W219-F264 HydrophobicContact CH2-CE1 3.7Å; W219-F264 AromaticContact CH2-CZ 3.66Å; W219-F264 HydrophobicContact CH2-CZ 3.66Å; W219-F264 AromaticContact CZ3-CE1 3.71Å; W219-F264 HydrophobicContact CZ3-CE1 3.71Å; W219-F264 AromaticContact CZ3-CZ 3.74Å; W219-F264 HydrophobicContact CZ3-CZ 3.74Å; F264-V266 HydrophobicContact CD2-CG2 3.76Å; F264-V266 HydrophobicContact CE2-CG2 3.61Å
265	I	94.4	Very high	82.3	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	138.7	175	-64.1	176.6	0	0	0	108.9	S141 F142 Y157 E172 L173 L228 W231 L241	S141-I265 CarbonylContact C-O 3.52Å; S141-I265 WeakPolarHBondContact CA-O 3.36Å; F142-I265 HydrophobicContact CB-CB 4.33Å; F142-I265 HydrophobicContact CD2-CB 4.14Å; F142-I265 HydrophobicContact CD2-CG2 4.01Å; F142-I265 PolarHBondContact N-O 3.03Å; F142-I265 PolarHBondContact O-N 3.42Å; F142-I265 VanDerWaalsContact O-N 3.15Å; Y157-I265 HydrophobicContact CD1-CD1 4.35Å; Y157-I265 HydrophobicContact CD1-CG1 4.26Å; Y157-I265 HydrophobicContact CD2-CD1 3.39Å; Y157-I265 HydrophobicContact CD2-CG1 4.03Å; Y157-I265 HydrophobicContact CE1-CG1 4.29Å; Y157-I265 HydrophobicContact CE2-CD1 3.76Å; Y157-I265 HydrophobicContact CE2-CG1 4.04Å; Y157-I265 HydrophobicContact CG-CD1 3.72Å; Y157-I265 HydrophobicContact CG-CG1 4.13Å; E172-I265 CarbonylContact O-C 2.97Å; E172-I265 VanDerWaalsContact O-CA 3.31Å; E172-I265 WeakPolarHBondContact O-CA 3.36Å; L173-I265 HydrophobicContact CD1-CD1 4.37Å; L173-I265 HydrophobicContact CD1-CG1 3.55Å; L228-I265 HydrophobicContact CD1-CG2 4.48Å; L228-I265 HydrophobicContact CD2-CG2 4.12Å; W231-I265 HydrophobicContact CZ3-CD1 3.96Å; L241-I265 HydrophobicContact CD1-CD1 4.44Å
266	V	94	Very high	80.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.7	167.4	-174.2	0	0	0	0	107.9	Y82 V139 M140 A171 E172 F264 Y268	Y82-V266 HydrophobicContact CD1-CG2 4.33Å; Y82-V266 HydrophobicContact CE1-CG1 4.4Å; Y82-V266 HydrophobicContact CE1-CG2 3.74Å; V139-V266 HydrophobicContact CG1-CG1 3.57Å; M140-V266 CarbonylContact O-C 3.48Å; M140-V266 WeakPolarHBondContact O-CA 3.29Å; A171-V266 CarbonylContact C-O 3.4Å; A171-V266 VanDerWaalsContact CA-O 3.24Å; A171-V266 WeakPolarHBondContact CA-O 3.44Å; E172-V266 HydrophobicContact CG-CB 3.97Å; E172-V266 PolarHBondContact N-O 3.39Å; E172-V266 PolarHBondContact O-N 3.44Å; F264-V266 HydrophobicContact CD2-CG2 3.76Å; F264-V266 HydrophobicContact CE2-CG2 3.61Å; V266-Y268 HydrophobicContact CG1-CE1 4.16Å; V266-Y268 HydrophobicContact CG1-CE2 4.43Å
267	G	93.6	Very high	79	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.8	177.4	0	0	0	0	0	111.2	V139 M140 F269	V139-G267 WeakPolarHBondContact CA-O 3.16Å; M140-G267 PolarHBondContact N-O 2.86Å; M140-G267 PolarHBondContact O-N 3.49Å; G267-F269 WeakPolarHBondContact O-CD2 3.35Å; G267-F269 WeakPolarHBondContact O-CE2 3.32Å
268	Y	92.4	Very high	76.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.9	179	-54.5	-79.5	0	0	0	109.6	F131 W133 V139 I169 G170 E172 V266	F131-Y268 HydrophobicContact CB-CD2 4.07Å; F131-Y268 HydrophobicContact CB-CE2 4.1Å; F131-Y268 HydrophobicContact CD2-CD2 4.14Å; F131-Y268 AromaticContact CD2-CE2 3.96Å; F131-Y268 HydrophobicContact CD2-CE2 3.96Å; F131-Y268 HydrophobicContact CG-CD2 4.29Å; F131-Y268 HydrophobicContact CG-CE2 4.39Å; W133-Y268 HydrophobicContact CB-CD1 3.59Å; W133-Y268 HydrophobicContact CB-CE1 3.55Å; W133-Y268 HydrophobicContact CG-CE1 4.27Å; V139-Y268 HydrophobicContact CB-CD1 4.43Å; V139-Y268 HydrophobicContact CG1-CD1 3.84Å; V139-Y268 HydrophobicContact CG1-CE1 3.83Å; V139-Y268 HydrophobicContact CG2-CD1 3.86Å; V139-Y268 HydrophobicContact CG2-CE1 4.3Å; I169-Y268 PolarHBondContact N-O 2.86Å; G170-Y268 WeakPolarHBondContact O-CD2 3.24Å; G170-Y268 PolarHBondContact O-N 2.95Å; E172-Y268 HydrophobicContact CG-CE2 4.13Å; E172-Y268 PolarHBondContact OE1-OH 3.18Å; V266-Y268 HydrophobicContact CG1-CE1 4.16Å; V266-Y268 HydrophobicContact CG1-CE2 4.43Å
269	F	92	Very high	74.9	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.8	-173	-60.8	-89.1	0	0	0	111.5	A136 D137 T138 M140 F142 V162 H166 R167 L168 L228 G267	A136-F269 CarbonylContact C-O 3.13Å; D137-F269 PolarHBondContact N-O 2.88Å; T138-F269 PolarHBondContact N-O 2.95Å; T138-F269 WeakPolarHBondContact O-CA 3.47Å; T138-F269 WeakPolarHBondContact O-CB 3.25Å; T138-F269 PolarHBondContact O-N 3.44Å; M140-F269 HydrophobicContact CB-CD2 4.41Å; M140-F269 HydrophobicContact CB-CE2 4.02Å; M140-F269 HydrophobicContact CG-CD2 4.08Å; M140-F269 HydrophobicContact CG-CE2 4.07Å; M140-F269 HydrophobicContact SD-CD2 4.23Å; M140-F269 HydrophobicContact SD-CE2 4.06Å; F142-F269 HydrophobicContact CE2-CE2 4.41Å; F142-F269 HydrophobicContact CZ-CE2 4.3Å; F142-F269 HydrophobicContact CZ-CZ 4.34Å; V162-F269 HydrophobicContact CG1-CD1 4.21Å; V162-F269 HydrophobicContact CG1-CE1 3.58Å; V162-F269 HydrophobicContact CG1-CZ 3.97Å; V162-F269 HydrophobicContact CG2-CE1 4.42Å; V162-F269 HydrophobicContact CG2-CZ 3.97Å; H166-F269 HydrophobicContact CB-CB 4.12Å; H166-F269 HydrophobicContact CB-CD1 4.12Å; H166-F269 HydrophobicContact CB-CG 4.46Å; R167-F269 WeakPolarHBondContact O-CA 3.39Å; L168-F269 HydrophobicContact CB-CD1 4.3Å; L168-F269 HydrophobicContact CB-CE1 4.14Å; L168-F269 HydrophobicContact CD1-CD1 3.93Å; L168-F269 HydrophobicContact CD1-CE1 3.47Å; L168-F269 VanDerWaalsContact CD1-CE1 3.47Å; L168-F269 HydrophobicContact CD1-CE2 4.21Å; L168-F269 HydrophobicContact CD1-CG 4.49Å; L168-F269 HydrophobicContact CD1-CZ 3.63Å; L168-F269 HydrophobicContact CG-CE1 4.41Å; L228-F269 HydrophobicContact CD2-CZ 4.03Å; G267-F269 WeakPolarHBondContact O-CD2 3.35Å; G267-F269 WeakPolarHBondContact O-CE2 3.32Å
270	C	88.5	Confident	73.1	Confident	16 Å²	16	56.8 Å²	56.8	11%	0.108	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	146.1	165.1	57.6	0	0	0	0	111	H166 R167 I169	H166-C270 WeakPolarHBondContact CA-O 3.45Å; R167-C270 PolarHBondContact N-O 2.81Å; R167-C270 PolarHBondContact NE-SG 3.28Å; R167-C270 PolarHBondContact NH2-SG 2.79Å; R167-C270 PolarHBondContact O-N 2.95Å; I169-C270 HydrophobicContact CD1-CB 3.93Å; I169-C270 HydrophobicContact CG1-CB 4.31Å
271	A	80.7	Confident	70.8	Confident	37 Å²	37	65.4 Å²	65.4	31%	0.306	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	126.3	174.7	0	0	0	0	0	109.4	D137 N273	D137-A271 PolarHBondContact OD2-N 3.45Å; A271-N273 PolarHBondContact O-N 3.36Å
272	V	69.7	Low	69.4	Low	86 Å²	86	69.7 Å²	69.7	52%	0.521	36%	0.355	S	S	.	.	S	Bend	trans	-80.7	102.7	174.9	-176.3	0	0	0	0	109	G165 R167	G165-V272 PolarHBondContact O-N 2.89Å; R167-V272 HydrophobicContact CB-CG2 3.6Å
273	N	54.5	Low	67.2	Low	128 Å²	128	73.8 Å²	73.8	68%	0.684	39%	0.386	S	S	*	.	S	Bend	trans	57.7	131.6	177.2	-71.8	-16.6	0	0	0	115.8	A271 D275	A271-N273 PolarHBondContact O-N 3.36Å; N273-D275 PolarHBondContact O-N 3.42Å
274	E	52.4	Low	64.8	Low	155 Å²	155	80 Å²	80	72%	0.724	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-59.4	11.7	-171.1	-62.4	-179.4	128.2	0	0	117.2	T276 H277	E274-T276 VanDerWaalsContact C-N 3.3Å; E274-T276 PolarHBondContact O-N 3.35Å; E274-H277 PolarHBondContact O-N 3.47Å
275	D	45.3	Very low	62.5	Low	137 Å²	137	84.3 Å²	84.3	73%	0.733	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-74.8	-14.5	-177.3	-73.2	-31.1	0	0	0	113.8	N273 H277 A278	N273-D275 PolarHBondContact O-N 3.42Å; D275-H277 VanDerWaalsContact C-N 3.34Å; D275-A278 VanDerWaalsContact O-CB 3.3Å; D275-A278 WeakPolarHBondContact O-CB 3.24Å; D275-A278 PolarHBondContact O-N 2.9Å
276	T	50	Low	60.1	Low	98 Å²	98	89.7 Å²	89.7	60%	0.601	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-76.3	-23.3	174.9	55.4	0	0	0	0	113	E274	E274-T276 VanDerWaalsContact C-N 3.3Å; E274-T276 PolarHBondContact O-N 3.35Å
277	H	48.9	Very low	57.6	Low	109 Å²	109	94.6 Å²	94.6	51%	0.505	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-98.4	11	171.6	-71	-74.3	0	0	0	112.8	E274 D275 R279	E274-H277 PolarHBondContact O-N 3.47Å; D275-H277 VanDerWaalsContact C-N 3.34Å; H277-R279 VanDerWaalsContact C-N 3.3Å; H277-R279 PolarHBondContact O-N 3.41Å
278	A	39.9	Very low	54.8	Low	60 Å²	60	101.2 Å²	101.2	50%	0.496	56%	0.561	S	S	.	*			trans	-53.4	101.3	167.8	0	0	0	0	0	107.7	D275 V280	D275-A278 VanDerWaalsContact O-CB 3.3Å; D275-A278 WeakPolarHBondContact O-CB 3.24Å; D275-A278 PolarHBondContact O-N 2.9Å; A278-V280 PolarHBondContact O-N 3.19Å
279	R	46.1	Very low	52.2	Low	188 Å²	188	106.3 Å²	106.3	71%	0.709	59%	0.593	S	S	*	*			trans	-50.2	106.1	176.7	175.9	-177.3	178.3	-175.2	0.3	106.1	H277 K281	H277-R279 VanDerWaalsContact C-N 3.3Å; H277-R279 PolarHBondContact O-N 3.41Å; R279-K281 PolarHBondContact O-N 3.26Å
280	V	48.1	Very low	49.4	Very low	91 Å²	91	115.6 Å²	115.6	55%	0.552	64%	0.636	S	S	*	*			trans	-53.6	116.5	171.1	176.6	0	0	0	0	104.9	A278 R282	A278-V280 PolarHBondContact O-N 3.19Å; V280-R282 VanDerWaalsContact C-N 3.32Å; V280-R282 PolarHBondContact O-N 3.09Å
281	K	39.1	Very low	46.9	Very low	197 Å²	197	119.6 Å²	119.6	86%	0.857	66%	0.66	S	S	*	*			trans	-56.5	106.2	169	-81.2	-175.6	179	177.4	0	105.3	R279 S283	R279-K281 PolarHBondContact O-N 3.26Å; K281-S283 PolarHBondContact O-N 2.69Å; K281-S283 VanDerWaalsContact O-N 3.13Å
282	R	54.7	Low	44.6	Very low	133 Å²	133	123.1 Å²	123.1	50%	0.502	68%	0.678	S	S	.	*	P	Polyproline II helix	trans	-55.1	119.3	-174.7	-59	178.9	-173.7	128.5	-1.6	107.4	E54 V280	E54-R282 IonicContact OE1-CZ 3.46Å; E54-R282 IonicContact OE1-NE 3.52Å; E54-R282 IonicContact OE1-NH2 2.66Å; E54-R282 PolarHBondContact OE1-NH2 3.26Å; V280-R282 VanDerWaalsContact C-N 3.32Å; V280-R282 PolarHBondContact O-N 3.09Å
283	S	41.8	Very low	43.1	Very low	111 Å²	111	127.7 Å²	127.7	78%	0.776	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-70.6	128.8	162.3	53.3	0	0	0	0	107.2	K281 S285	K281-S283 PolarHBondContact O-N 2.69Å; K281-S283 VanDerWaalsContact O-N 3.13Å; S283-S285 PolarHBondContact O-N 2.96Å; S283-S285 VanDerWaalsContact O-N 3.11Å
284	V	42.3	Very low	42.5	Very low	134 Å²	134	129.2 Å²	129.2	81%	0.812	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-56.8	117.7	168.6	175.3	0	0	0	0	107.1	S286	V284-S286 PolarHBondContact O-N 3.47Å
285	S	43	Very low	41.8	Very low	90 Å²	90	128 Å²	128	63%	0.629	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-61.4	121.2	174.8	-172	0	0	0	0	108.4	S283 T287	S283-S285 PolarHBondContact O-N 2.96Å; S283-S285 VanDerWaalsContact O-N 3.11Å; S285-T287 PolarHBondContact O-N 3.22Å; S285-T287 VanDerWaalsContact O-N 3.11Å; S285-T287 PolarHBondContact OG-OG1 3.4Å
286	S	44.5	Very low	41.6	Very low	112 Å²	112	126.2 Å²	126.2	78%	0.783	68%	0.682	S	S	*	*			trans	-78.6	20.3	-178.5	56.3	0	0	0	0	113.7	V284 T288	V284-S286 PolarHBondContact O-N 3.47Å; S286-T288 PolarHBondContact O-N 3.45Å
287	T	41.2	Very low	41.2	Very low	103 Å²	103	125.2 Å²	125.2	63%	0.632	67%	0.673	S	S	*	*			trans	-72.3	98.9	170.4	-22.1	0	0	0	0	107.2	S285 T289	S285-T287 PolarHBondContact O-N 3.22Å; S285-T287 VanDerWaalsContact O-N 3.11Å; S285-T287 PolarHBondContact OG-OG1 3.4Å; T287-T289 PolarHBondContact O-N 3.01Å
288	T	35.9	Very low	40.9	Very low	139 Å²	139	126.8 Å²	126.8	85%	0.853	67%	0.674	S	S	*	*			trans	-64.4	68.5	177.7	47.9	0	0	0	0	111	S286	S286-T288 PolarHBondContact O-N 3.45Å
289	T	37.9	Very low	40.9	Very low	108 Å²	108	126.6 Å²	126.6	66%	0.663	67%	0.67	S	S	*	*			trans	-104.5	112.6	141.6	-2.8	0	0	0	0	102.6	T287 V291	T287-T289 PolarHBondContact O-N 3.01Å; T289-V291 PolarHBondContact O-N 2.99Å
290	E	32.7	Very low	40.7	Very low	195 Å²	195	122.2 Å²	122.2	91%	0.911	67%	0.668	S	S	*	*			trans	-60.9	74.2	175.4	-69.1	177.3	150.6	0	0	109.6
291	V	35.9	Very low	40.8	Very low	101 Å²	101	119.9 Å²	119.9	61%	0.612	65%	0.654	S	S	*	*			trans	-95.8	91.3	161	-169.1	0	0	0	0	103.7	T289 Y293	T289-V291 PolarHBondContact O-N 2.99Å; V291-Y293 VanDerWaalsContact C-N 3.34Å; V291-Y293 WeakPolarHBondContact O-CD2 3.31Å; V291-Y293 PolarHBondContact O-N 3.08Å
292	T	32.2	Very low	41.3	Very low	111 Å²	111	112 Å²	112	68%	0.681	62%	0.62	S	S	*	*			trans	-53	97.3	170.4	21.4	0	0	0	0	109	N294 D295	T292-N294 PolarHBondContact O-N 3.48Å; T292-D295 PolarHBondContact O-N 3.35Å
293	Y	39.5	Very low	40.9	Very low	182 Å²	182	108.3 Å²	108.3	71%	0.714	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-62.7	0.4	170.6	-89.1	-86	0	0	0	113.5	V291 D295	V291-Y293 VanDerWaalsContact C-N 3.34Å; V291-Y293 WeakPolarHBondContact O-CD2 3.31Å; V291-Y293 PolarHBondContact O-N 3.08Å; Y293-D295 VanDerWaalsContact C-N 3.33Å
294	N	40.3	Very low	41	Very low	160 Å²	160	105.6 Å²	105.6	86%	0.856	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-87.8	9.5	175.2	-85	-2.5	0	0	0	114.5	T292	T292-N294 PolarHBondContact O-N 3.48Å
295	D	38.8	Very low	41.1	Very low	128 Å²	128	103.6 Å²	103.6	68%	0.684	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-141.5	37.3	177.5	-137.5	10.9	0	0	0	113.3	T292 Y293 D297	T292-D295 PolarHBondContact O-N 3.35Å; Y293-D295 VanDerWaalsContact C-N 3.33Å; D295-D297 PolarHBondContact O-N 2.94Å
296	M	39.9	Very low	41.4	Very low	101 Å²	101	104.5 Å²	104.5	50%	0.498	59%	0.59	S	S	.	*			trans	-71.8	74.3	146.5	-76.9	-162.1	-172.9	0	0	107	W298	M296-W298 VanDerWaalsContact O-CD1 3.23Å; M296-W298 PolarHBondContact O-N 3.24Å; M296-W298 HydrophobicContact SD-CZ2 4.4Å
297	D	41.6	Very low	41.6	Very low	76 Å²	76	107 Å²	107	41%	0.406	59%	0.586	S	S	.	*			trans	-66.8	89.6	168	-176	25.4	0	0	0	108	D295 S299 S300	D295-D297 PolarHBondContact O-N 2.94Å; D297-S299 PolarHBondContact O-N 2.81Å; D297-S299 WeakPolarHBondContact OD1-CB 3.28Å; D297-S299 PolarHBondContact OD1-N 2.91Å; D297-S299 VanDerWaalsContact OD1-N 3.14Å; D297-S299 PolarHBondContact OD1-OG 3.3Å; D297-S299 WeakPolarHBondContact OD2-CB 3.5Å; D297-S300 PolarHBondContact O-N 3.4Å; D297-S300 VanDerWaalsContact O-N 3.08Å; D297-S300 PolarHBondContact O-OG 2.87Å
298	W	43.4	Very low	42	Very low	142 Å²	142	102.6 Å²	102.6	54%	0.538	56%	0.558	S	S	.	*	H	α-helix	trans	-58.1	-12.3	172.2	-69.4	92.4	0	0	0	112	M296 S300 V301 I302	M296-W298 VanDerWaalsContact O-CD1 3.23Å; M296-W298 PolarHBondContact O-N 3.24Å; M296-W298 HydrophobicContact SD-CZ2 4.4Å; W298-S300 PolarHBondContact O-N 3.27Å; W298-V301 HydrophobicContact CE3-CB 4.25Å; W298-V301 HydrophobicContact CE3-CG1 4.47Å; W298-V301 HydrophobicContact CE3-CG2 4.14Å; W298-V301 PolarHBondContact O-N 3.25Å; W298-I302 PolarHBondContact O-N 3.14Å
299	S	40.7	Very low	42.7	Very low	57 Å²	57	98.9 Å²	98.9	40%	0.399	54%	0.535	S	S	.	.	H	α-helix	trans	-66.4	-17.6	173.8	-36.7	0	0	0	0	113.8	D297 I302	D297-S299 PolarHBondContact O-N 2.81Å; D297-S299 WeakPolarHBondContact OD1-CB 3.28Å; D297-S299 PolarHBondContact OD1-N 2.91Å; D297-S299 VanDerWaalsContact OD1-N 3.14Å; D297-S299 PolarHBondContact OD1-OG 3.3Å; D297-S299 WeakPolarHBondContact OD2-CB 3.5Å; S299-I302 CarbonylContact C-O 3.26Å; S299-I302 VanDerWaalsContact C-O 3.32Å; S299-I302 CarbonylContact O-C 3.43Å
300	S	42.1	Very low	43.8	Very low	95 Å²	95	104.1 Å²	104.1	66%	0.664	54%	0.543	S	S	*	.	H	α-helix	trans	-87.8	-28	171.9	71.9	0	0	0	0	112.7	D297 W298	D297-S300 PolarHBondContact O-N 3.4Å; D297-S300 VanDerWaalsContact O-N 3.08Å; D297-S300 PolarHBondContact O-OG 2.87Å; W298-S300 PolarHBondContact O-N 3.27Å
301	V	49.2	Very low	45.8	Very low	42 Å²	42	96 Å²	96	26%	0.255	51%	0.507	S	S	.	.	H	α-helix	trans	-72.4	-50.4	174.4	-177.6	0	0	0	0	108.5	Y40 W298	Y40-V301 HydrophobicContact CD1-CG1 3.79Å; Y40-V301 WeakPolarHBondContact CD1-O 3.35Å; Y40-V301 WeakPolarHBondContact CE1-O 3.29Å; Y40-V301 HydrophobicContact CG-CG1 4.2Å; W298-V301 HydrophobicContact CE3-CB 4.25Å; W298-V301 HydrophobicContact CE3-CG1 4.47Å; W298-V301 HydrophobicContact CE3-CG2 4.14Å; W298-V301 PolarHBondContact O-N 3.25Å
302	I	48.7	Very low	48.2	Very low	31 Å²	31	94.6 Å²	94.6	16%	0.159	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	94.9	173.5	-55.8	171.5	0	0	0	106.2	Y40 W298 S299 V304 W308	Y40-I302 HydrophobicContact CE1-CG1 4.31Å; W298-I302 PolarHBondContact O-N 3.14Å; S299-I302 CarbonylContact C-O 3.26Å; S299-I302 VanDerWaalsContact C-O 3.32Å; S299-I302 CarbonylContact O-C 3.43Å; I302-V304 VanDerWaalsContact C-N 3.34Å; I302-V304 WeakPolarHBondContact O-CG2 3.46Å; I302-V304 PolarHBondContact O-N 3.43Å; I302-W308 HydrophobicContact CD1-CH2 4.04Å; I302-W308 HydrophobicContact CG2-CD2 4.38Å; I302-W308 HydrophobicContact CG2-CE3 4.24Å; I302-W308 HydrophobicContact CG2-CH2 3.55Å; I302-W308 HydrophobicContact CG2-CZ2 3.55Å; I302-W308 HydrophobicContact CG2-CZ3 3.84Å
303	G	47	Very low	50.9	Low	57 Å²	57	89.7 Å²	89.7	59%	0.588	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	96.4	178.1	0	0	0	0	0	111.1	D305	G303-D305 VanDerWaalsContact C-N 3.3Å; G303-D305 PolarHBondContact O-N 3Å
304	V	43.8	Very low	53.2	Low	53 Å²	53	85.8 Å²	85.8	32%	0.321	46%	0.458	S	S	.	.			trans	-76.6	87.1	-173.4	-175.7	0	0	0	0	107.6	I302 T306 W308 T309	I302-V304 VanDerWaalsContact C-N 3.34Å; I302-V304 WeakPolarHBondContact O-CG2 3.46Å; I302-V304 PolarHBondContact O-N 3.43Å; V304-T306 PolarHBondContact O-N 3.3Å; V304-W308 HydrophobicContact CG1-CB 4Å; V304-W308 HydrophobicContact CG1-CE3 4.37Å; V304-W308 HydrophobicContact CG2-CE3 4.31Å; V304-T309 HydrophobicContact CG1-CG2 3.99Å
305	D	44.8	Very low	55.5	Low	92 Å²	92	82.7 Å²	82.7	49%	0.492	43%	0.434	S	S	.	.			trans	-58.9	139	163.4	-164.1	-8.6	0	0	0	107.9	G303 K307 W308	G303-D305 VanDerWaalsContact C-N 3.3Å; G303-D305 PolarHBondContact O-N 3Å; D305-K307 PolarHBondContact O-N 2.77Å; D305-W308 WeakPolarHBondContact O-CA 3.45Å; D305-W308 WeakPolarHBondContact O-CB 3.33Å; D305-W308 PolarHBondContact O-N 3.15Å
306	T	50	Low	57.9	Low	110 Å²	110	77.3 Å²	77.3	68%	0.675	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-9.7	-177.8	56.4	0	0	0	0	114	V304 T309	V304-T306 PolarHBondContact O-N 3.3Å; T306-T309 PolarHBondContact O-OG1 3.44Å
307	K	48.6	Very low	60.1	Low	163 Å²	163	74.7 Å²	74.7	71%	0.709	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-27	167.3	-78.7	-179.6	177	175	0	113.4	D305 T309 R310	D305-K307 PolarHBondContact O-N 2.77Å; K307-T309 VanDerWaalsContact C-N 3.33Å; K307-T309 PolarHBondContact O-N 3.03Å; K307-R310 PolarHBondContact O-N 3.31Å
308	W	48.3	Very low	62.3	Low	12 Å²	12	73.1 Å²	73.1	5%	0.045	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-62	-39.5	178.3	-134.7	75.2	0	0	0	111.8	D32 G33 I302 V304 D305 R310 S311 Y341 F343	D32-W308 VanDerWaalsContact C-NE1 3.35Å; D32-W308 PolarHBondContact O-NE1 2.82Å; G33-W308 VanDerWaalsContact N-NE1 3.16Å; I302-W308 HydrophobicContact CD1-CH2 4.04Å; I302-W308 HydrophobicContact CG2-CD2 4.38Å; I302-W308 HydrophobicContact CG2-CE3 4.24Å; I302-W308 HydrophobicContact CG2-CH2 3.55Å; I302-W308 HydrophobicContact CG2-CZ2 3.55Å; I302-W308 HydrophobicContact CG2-CZ3 3.84Å; V304-W308 HydrophobicContact CG1-CB 4Å; V304-W308 HydrophobicContact CG1-CE3 4.37Å; V304-W308 HydrophobicContact CG2-CE3 4.31Å; D305-W308 WeakPolarHBondContact O-CA 3.45Å; D305-W308 WeakPolarHBondContact O-CB 3.33Å; D305-W308 PolarHBondContact O-N 3.15Å; W308-R310 PolarHBondContact O-N 3.07Å; W308-R310 VanDerWaalsContact O-N 3.15Å; W308-S311 PolarHBondContact O-N 3.02Å; W308-S311 PolarHBondContact O-OG 3.23Å; W308-Y341 HydrophobicContact CH2-CE2 4.06Å; W308-Y341 WeakPolarHBondContact CH2-OH 3.09Å; W308-Y341 WeakPolarHBondContact CZ2-OH 3.11Å; W308-F343 HydrophobicContact CD2-CD1 4.22Å; W308-F343 AromaticContact CD2-CE1 3.63Å; W308-F343 HydrophobicContact CD2-CE1 3.63Å; W308-F343 AromaticContact CD2-CZ 3.94Å; W308-F343 HydrophobicContact CD2-CZ 3.94Å; W308-F343 AromaticContact CE3-CD1 3.82Å; W308-F343 HydrophobicContact CE3-CD1 3.82Å; W308-F343 HydrophobicContact CE3-CD2 4.16Å; W308-F343 AromaticContact CE3-CE1 3.12Å; W308-F343 HydrophobicContact CE3-CE1 3.12Å; W308-F343 AromaticContact CE3-CE2 3.54Å; W308-F343 HydrophobicContact CE3-CE2 3.54Å; W308-F343 HydrophobicContact CE3-CG 4.3Å; W308-F343 AromaticContact CE3-CZ 2.98Å; W308-F343 HydrophobicContact CE3-CZ 2.98Å; W308-F343 HydrophobicContact CG-CE1 4.34Å; W308-F343 AromaticContact CH2-CD1 3.84Å; W308-F343 HydrophobicContact CH2-CD1 3.84Å; W308-F343 AromaticContact CH2-CD2 3.86Å; W308-F343 HydrophobicContact CH2-CD2 3.86Å; W308-F343 HydrophobicContact CH2-CE1 4.03Å; W308-F343 HydrophobicContact CH2-CE2 4.06Å; W308-F343 AromaticContact CH2-CG 3.77Å; W308-F343 HydrophobicContact CH2-CG 3.77Å; W308-F343 HydrophobicContact CH2-CZ 4.16Å; W308-F343 HydrophobicContact CZ2-CD1 4.35Å; W308-F343 AromaticContact CZ3-CD1 3.62Å; W308-F343 HydrophobicContact CZ3-CD1 3.62Å; W308-F343 AromaticContact CZ3-CD2 3.39Å; W308-F343 HydrophobicContact CZ3-CD2 3.39Å; W308-F343 AromaticContact CZ3-CE1 3.36Å; W308-F343 HydrophobicContact CZ3-CE1 3.36Å; W308-F343 AromaticContact CZ3-CE2 3.12Å; W308-F343 HydrophobicContact CZ3-CE2 3.12Å; W308-F343 AromaticContact CZ3-CG 3.64Å; W308-F343 HydrophobicContact CZ3-CG 3.64Å; W308-F343 AromaticContact CZ3-CZ 3.12Å; W308-F343 HydrophobicContact CZ3-CZ 3.12Å; W308-F343 WeakPolarHBondContact O-CE1 3.49Å
309	T	51.6	Low	64.4	Low	61 Å²	61	69.4 Å²	69.4	37%	0.374	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-66.6	-14.1	-179.4	60.8	0	0	0	0	113.7	V304 T306 K307 E345	V304-T309 HydrophobicContact CG1-CG2 3.99Å; T306-T309 PolarHBondContact O-OG1 3.44Å; K307-T309 VanDerWaalsContact C-N 3.33Å; K307-T309 PolarHBondContact O-N 3.03Å; T309-E345 WeakPolarHBondContact O-CG 3.34Å
310	R	60.3	Low	66.6	Low	218 Å²	218	67 Å²	67	82%	0.823	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-97.1	2.4	179.7	-69.1	-174.3	177.8	166.1	1	114.5	K307 W308	K307-R310 PolarHBondContact O-N 3.31Å; W308-R310 PolarHBondContact O-N 3.07Å; W308-R310 VanDerWaalsContact O-N 3.15Å
311	S	75.8	Confident	68.6	Low	23 Å²	23	62.9 Å²	62.9	16%	0.161	33%	0.326	C	S	.	.	S	Bend	trans	-71.1	136.6	175.7	67	0	0	0	0	110.9	W308 R316 G344 E345	W308-S311 PolarHBondContact O-N 3.02Å; W308-S311 PolarHBondContact O-OG 3.23Å; S311-R316 PolarHBondContact OG-NH2 3.48Å; S311-G344 CarbonylContact O-C 3.47Å; S311-G344 WeakPolarHBondContact O-CA 3.07Å; S311-G344 WeakPolarHBondContact OG-CA 3.23Å; S311-E345 PolarHBondContact O-N 3.14Å
312	V	85	Confident	70.4	Confident	73 Å²	73	61 Å²	61	44%	0.442	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-59	144.9	168	167.5	0	0	0	0	110.2	Q314 M354	V312-Q314 WeakPolarHBondContact O-CG 3.35Å; V312-Q314 PolarHBondContact O-N 2.96Å; V312-Q314 VanDerWaalsContact O-N 3.1Å; V312-M354 HydrophobicContact CB-CE 4.33Å; V312-M354 HydrophobicContact CG1-CE 3.36Å; V312-M354 HydrophobicContact CG1-CG 4.2Å; V312-M354 HydrophobicContact CG1-SD 4.38Å; V312-M354 HydrophobicContact CG2-CE 4.2Å
313	C	89.4	Confident	72.1	Confident	8 Å²	8	67.4 Å²	67.4	5%	0.054	34%	0.336	C	S	.	.	S	Bend	trans	-50.9	115.1	173.6	173.4	0	0	0	0	111.7	E345 C379	C313-E345 PolarHBondContact N-O 3.38Å; C313-C379 WeakPolarHBondContact CA-SG 3.49Å; C313-C379 HydrophobicContact CB-CB 3.73Å; C313-C379 WeakPolarHBondContact CB-SG 3.11Å; C313-C379 VanDerWaalsContact SG-CA 3.58Å; C313-C379 WeakPolarHBondContact SG-CB 3.35Å; C313-C379 CovalentContact SG-SG 2.04Å; C313-C379 PolarHBondContact SG-SG 3.38Å
314	Q	88.2	Confident	73.7	Confident	100 Å²	100	66.4 Å²	66.4	47%	0.467	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	166.2	-177.9	68.1	-175.1	8.9	0	0	112	V312 R316 F343	V312-Q314 WeakPolarHBondContact O-CG 3.35Å; V312-Q314 PolarHBondContact O-N 2.96Å; V312-Q314 VanDerWaalsContact O-N 3.1Å; Q314-R316 HydrophobicContact CG-CG 4.47Å; Q314-F343 PolarHBondContact N-O 2.76Å; Q314-F343 PolarHBondContact O-N 3.44Å; Q314-F343 VanDerWaalsContact O-O 3.08Å
315	R	89	Confident	75.6	Confident	94 Å²	94	64 Å²	64	36%	0.355	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.7	172.1	-174.1	176.1	66.4	157.6	4.2	110.1	Y340 V408 C411	R315-Y340 HydrophobicContact CG-CD1 4.14Å; R315-Y340 HydrophobicContact CG-CG 4.13Å; R315-V408 WeakPolarHBondContact CD-O 3.34Å; R315-V408 HydrophobicContact CG-CG1 4.3Å; R315-V408 PolarHBondContact NH1-O 3.36Å; R315-V408 VanDerWaalsContact NH1-O 3.09Å; R315-C411 WeakPolarHBondContact CA-SG 3.5Å
316	R	87.7	Confident	77.4	Confident	15 Å²	15	61.8 Å²	61.8	6%	0.057	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	157.4	177.9	-64.9	-160.8	177.2	-154.2	8.6	111.8	S311 Q314 Y340 Y341 F343	S311-R316 PolarHBondContact OG-NH2 3.48Å; Q314-R316 HydrophobicContact CG-CG 4.47Å; R316-Y340 VanDerWaalsContact O-CA 3.22Å; R316-Y340 WeakPolarHBondContact O-CA 3.39Å; R316-Y340 VanDerWaalsContact O-CB 3.24Å; R316-Y340 WeakPolarHBondContact O-CB 3.18Å; R316-Y340 WeakPolarHBondContact O-CD1 3.25Å; R316-Y341 HydrophobicContact CB-CD1 3.94Å; R316-Y341 HydrophobicContact CB-CE1 3.49Å; R316-Y341 VanDerWaalsContact CB-CE1 3.49Å; R316-Y341 HydrophobicContact CB-CE2 4.27Å; R316-Y341 PolarHBondContact N-O 3.15Å; R316-Y341 PolarHBondContact O-N 3.04Å; R316-F343 HydrophobicContact CG-CB 4.32Å; R316-F343 VanDerWaalsContact CZ-CD1 3.5Å
317	T	87.8	Confident	79.3	Confident	46 Å²	46	56.8 Å²	56.8	28%	0.282	27%	0.27	S	S	.	.			trans	-73	131	-177.7	56.1	0	0	0	0	111	A30 D31 Y340 Y341	A30-T317 VanDerWaalsContact CA-O 3.29Å; A30-T317 WeakPolarHBondContact CA-O 3.4Å; A30-T317 WeakPolarHBondContact CB-O 3.46Å; D31-T317 PolarHBondContact N-O 3.35Å; D31-T317 PolarHBondContact N-OG1 3.22Å; T317-Y340 HydrophobicContact CG2-CE1 4.46Å; T317-Y341 VanDerWaalsContact O-CE1 3.3Å; T317-Y341 WeakPolarHBondContact O-CE1 3.49Å
318	L	88	Confident	81	Confident	44 Å²	44	51.8 Å²	51.8	23%	0.23	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	120.9	168.1	170.1	67.8	0	0	0	106.5	F28 Y29 A30 A338 A339 Y340 Y341	F28-L318 HydrophobicContact CB-CD1 4.28Å; F28-L318 HydrophobicContact CD1-CD1 4.09Å; Y29-L318 CarbonylContact O-C 3.32Å; Y29-L318 WeakPolarHBondContact O-CA 3.5Å; A30-L318 HydrophobicContact CB-CD1 4.11Å; L318-A338 CarbonylContact O-C 3.55Å; L318-A338 WeakPolarHBondContact O-CA 3.39Å; L318-A339 HydrophobicContact CD2-CB 4.1Å; L318-A339 HydrophobicContact CG-CB 4.23Å; L318-A339 PolarHBondContact O-N 3.45Å; L318-Y340 PolarHBondContact O-N 2.97Å; L318-Y341 HydrophobicContact CB-CD1 3.71Å; L318-Y341 HydrophobicContact CB-CE1 4.33Å
319	Y	87.3	Confident	82.8	Confident	64 Å²	64	56.1 Å²	56.1	25%	0.251	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.6	177.7	-173.8	-97.3	0	0	0	109.6	F28 Y29 G336 Y337 A338	F28-Y319 WeakPolarHBondContact CA-O 3.39Å; Y29-Y319 AromaticContact CD2-CD1 3.87Å; Y29-Y319 HydrophobicContact CD2-CD1 3.87Å; Y29-Y319 HydrophobicContact CE2-CD1 4.38Å; Y29-Y319 PolarHBondContact N-O 2.92Å; Y29-Y319 VanDerWaalsContact N-O 3.13Å; Y29-Y319 PolarHBondContact O-N 2.97Å; Y319-G336 VanDerWaalsContact OH-CA 3.27Å; Y319-G336 WeakPolarHBondContact OH-CA 3.37Å; Y319-G336 PolarHBondContact OH-N 3.12Å; Y319-G336 PolarHBondContact OH-O 2.93Å; Y319-Y337 WeakPolarHBondContact CA-O 3.2Å; Y319-Y337 VanDerWaalsContact CD2-C 3.47Å; Y319-Y337 WeakPolarHBondContact CD2-O 3.27Å; Y319-A338 HydrophobicContact CD2-CB 4.41Å
320	V	85.8	Confident	84.7	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.7	177.2	-176.8	0	0	0	0	107.7	F28 F322 L325 G336 Y337 A339	F28-V320 HydrophobicContact CD1-CG2 4Å; F28-V320 HydrophobicContact CE1-CG1 4.3Å; F28-V320 HydrophobicContact CE1-CG2 3.89Å; V320-F322 HydrophobicContact CG1-CE1 4.49Å; V320-L325 HydrophobicContact CG1-CD1 4.21Å; V320-G336 CarbonylContact O-C 3.53Å; V320-G336 WeakPolarHBondContact O-CA 3.27Å; V320-Y337 HydrophobicContact CB-CD1 3.98Å; V320-Y337 HydrophobicContact CB-CE1 3.57Å; V320-Y337 HydrophobicContact CG1-CE1 3.94Å; V320-Y337 HydrophobicContact CG2-CE1 3.92Å; V320-Y337 PolarHBondContact N-O 3.08Å; V320-Y337 PolarHBondContact O-N 3.31Å; V320-A339 HydrophobicContact CG2-CB 4.04Å
321	S	84.4	Confident	86.2	Confident	8 Å²	8	43.1 Å²	43.1	6%	0.056	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	108.7	-178.5	177.7	0	0	0	0	110.4	I27 R323 D324 L325	I27-S321 PolarHBondContact O-N 3.3Å; S321-R323 PolarHBondContact O-N 3.11Å; S321-D324 WeakPolarHBondContact CB-OD2 3.43Å; S321-D324 PolarHBondContact O-N 3.46Å; S321-D324 WeakPolarHBondContact OG-CB 3.44Å; S321-D324 PolarHBondContact OG-N 3.07Å; S321-D324 PolarHBondContact OG-OD2 3.2Å; S321-L325 WeakPolarHBondContact O-CG 3.24Å; S321-L325 PolarHBondContact O-N 2.64Å; S321-L325 VanDerWaalsContact O-N 3.08Å
322	F	86.7	Confident	87	Confident	1 Å²	1	42.6 Å²	42.6	0%	0.004	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-28.5	171.6	-62.8	-44	0	0	0	111.3	V320 L325 G326 W327 I331 P334 D335 Y337 V389	V320-F322 HydrophobicContact CG1-CE1 4.49Å; F322-L325 HydrophobicContact CD1-CD1 3.92Å; F322-L325 WeakPolarHBondContact O-CB 3.45Å; F322-L325 PolarHBondContact O-N 3.2Å; F322-G326 PolarHBondContact O-N 2.86Å; F322-W327 AromaticContact CD1-CE3 3.67Å; F322-W327 HydrophobicContact CD1-CE3 3.67Å; F322-W327 HydrophobicContact CD1-CZ3 4Å; F322-W327 HydrophobicContact CE1-CE3 4.28Å; F322-W327 HydrophobicContact CE1-CZ3 4.17Å; F322-W327 HydrophobicContact CG-CE3 4.46Å; F322-W327 PolarHBondContact O-N 2.8Å; F322-I331 HydrophobicContact CB-CD1 3.95Å; F322-I331 HydrophobicContact CD1-CD1 3.96Å; F322-I331 HydrophobicContact CD2-CD1 4.09Å; F322-I331 HydrophobicContact CD2-CG2 4.3Å; F322-I331 HydrophobicContact CE1-CD1 4.49Å; F322-I331 HydrophobicContact CG-CD1 3.74Å; F322-P334 HydrophobicContact CD2-CG 4.32Å; F322-P334 WeakPolarHBondContact CD2-O 3.18Å; F322-P334 HydrophobicContact CE2-CG 3.99Å; F322-D335 WeakPolarHBondContact CB-O 3.49Å; F322-D335 PolarHBondContact N-O 2.82Å; F322-Y337 HydrophobicContact CE1-CD1 4.37Å; F322-Y337 HydrophobicContact CE1-CE1 4.21Å; F322-Y337 HydrophobicContact CE2-CD1 4.02Å; F322-Y337 AromaticContact CZ-CD1 3.67Å; F322-Y337 HydrophobicContact CZ-CD1 3.67Å; F322-Y337 AromaticContact CZ-CE1 3.79Å; F322-Y337 HydrophobicContact CZ-CE1 3.79Å; F322-V389 HydrophobicContact CE2-CG2 4.49Å
323	R	83.9	Confident	87.2	Confident	167 Å²	167	39.2 Å²	39.2	63%	0.63	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-50.9	169.5	-174.3	171.1	174.2	-174	-2.2	112.9	S321 L325 G326 Q328 D335	S321-R323 PolarHBondContact O-N 3.11Å; R323-L325 VanDerWaalsContact C-N 3.26Å; R323-L325 PolarHBondContact O-N 2.9Å; R323-G326 WeakPolarHBondContact O-CA 3.49Å; R323-G326 PolarHBondContact O-N 3.3Å; R323-Q328 HydrophobicContact CB-CG 4.06Å; R323-Q328 HydrophobicContact CG-CG 3.99Å; R323-D335 PolarHBondContact N-O 3.43Å; R323-D335 VanDerWaalsContact N-O 3.12Å
324	D	81.6	Confident	87.4	Confident	35 Å²	35	39.4 Å²	39.4	19%	0.187	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-21	-177.4	-60.6	-36.6	0	0	0	112.3	S26 Y29 S321 G326	S26-D324 WeakPolarHBondContact O-CB 3.18Å; S26-D324 VanDerWaalsContact O-CG 3.28Å; S26-D324 VanDerWaalsContact O-OD2 3.12Å; Y29-D324 WeakPolarHBondContact CE2-OD2 3.38Å; Y29-D324 PolarHBondContact OH-OD2 2.83Å; S321-D324 WeakPolarHBondContact CB-OD2 3.43Å; S321-D324 PolarHBondContact O-N 3.46Å; S321-D324 WeakPolarHBondContact OG-CB 3.44Å; S321-D324 PolarHBondContact OG-N 3.07Å; S321-D324 PolarHBondContact OG-OD2 3.2Å; D324-G326 PolarHBondContact O-N 2.81Å
325	L	83	Confident	87.4	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.01	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.5	165.8	-79.7	159	0	0	0	113.2	I27 F51 Q52 I55 V320 S321 F322 R323 W327	I27-L325 HydrophobicContact CD1-CD2 3.61Å; I27-L325 HydrophobicContact CD1-CG 4.18Å; I27-L325 HydrophobicContact CG1-CD2 4.38Å; I27-L325 HydrophobicContact CG1-CG 4.43Å; I27-L325 HydrophobicContact CG2-CD1 4.41Å; I27-L325 HydrophobicContact CG2-CD2 4.07Å; I27-L325 HydrophobicContact CG2-CG 3.93Å; F51-L325 HydrophobicContact CD1-CD2 4.39Å; F51-L325 HydrophobicContact CE1-CD2 4.19Å; Q52-L325 HydrophobicContact CG-CD2 3.76Å; Q52-L325 PolarHBondContact NE2-O 3.1Å; Q52-L325 VanDerWaalsContact NE2-O 3.09Å; I55-L325 HydrophobicContact CD1-CD1 3.75Å; I55-L325 HydrophobicContact CD1-CD2 3.95Å; V320-L325 HydrophobicContact CG1-CD1 4.21Å; S321-L325 WeakPolarHBondContact O-CG 3.24Å; S321-L325 PolarHBondContact O-N 2.64Å; S321-L325 VanDerWaalsContact O-N 3.08Å; F322-L325 HydrophobicContact CD1-CD1 3.92Å; F322-L325 WeakPolarHBondContact O-CB 3.45Å; F322-L325 PolarHBondContact O-N 3.2Å; R323-L325 VanDerWaalsContact C-N 3.26Å; R323-L325 PolarHBondContact O-N 2.9Å; L325-W327 HydrophobicContact CB-CD2 3.76Å; L325-W327 HydrophobicContact CB-CE3 4.24Å; L325-W327 HydrophobicContact CB-CG 3.88Å; L325-W327 HydrophobicContact CD1-CD2 4.25Å; L325-W327 HydrophobicContact CD1-CE3 3.91Å; L325-W327 HydrophobicContact CD1-CH2 4.4Å; L325-W327 HydrophobicContact CD1-CZ3 4Å; L325-W327 HydrophobicContact CD2-CZ2 4.3Å; L325-W327 HydrophobicContact CG-CD2 4.47Å
326	G	83.3	Confident	87.4	Confident	46 Å²	46	32.2 Å²	32.2	47%	0.474	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	30	-175.7	0	0	0	0	0	112.9	F322 R323 D324	F322-G326 PolarHBondContact O-N 2.86Å; R323-G326 WeakPolarHBondContact O-CA 3.49Å; R323-G326 PolarHBondContact O-N 3.3Å; D324-G326 PolarHBondContact O-N 2.81Å
327	W	88.7	Confident	87.4	Confident	5 Å²	5	33 Å²	33	2%	0.019	17%	0.169	C	C	.	.			trans	-100.2	9.2	-173.9	-65.7	-8.3	0	0	0	114.4	Q52 I55 L56 L59 F322 L325 D329 W330 I331	Q52-W327 HydrophobicContact CB-CZ2 4.27Å; Q52-W327 HydrophobicContact CG-CZ2 4.3Å; I55-W327 HydrophobicContact CB-CH2 3.53Å; I55-W327 HydrophobicContact CB-CZ2 4.47Å; I55-W327 HydrophobicContact CB-CZ3 4.19Å; I55-W327 HydrophobicContact CD1-CH2 4.08Å; I55-W327 HydrophobicContact CD1-CZ3 4.48Å; I55-W327 HydrophobicContact CG1-CH2 4.48Å; I55-W327 HydrophobicContact CG2-CH2 3.34Å; I55-W327 HydrophobicContact CG2-CZ3 3.48Å; I55-W327 VanDerWaalsContact CG2-CZ3 3.48Å; L56-W327 HydrophobicContact CD1-CZ2 4.47Å; L56-W327 HydrophobicContact CD2-CH2 4.08Å; L56-W327 HydrophobicContact CD2-CZ2 4Å; L56-W327 HydrophobicContact CG-CH2 4.02Å; L56-W327 HydrophobicContact CG-CZ2 3.85Å; L59-W327 HydrophobicContact CD1-CH2 4.4Å; L59-W327 HydrophobicContact CD1-CZ3 3.86Å; F322-W327 AromaticContact CD1-CE3 3.67Å; F322-W327 HydrophobicContact CD1-CE3 3.67Å; F322-W327 HydrophobicContact CD1-CZ3 4Å; F322-W327 HydrophobicContact CE1-CE3 4.28Å; F322-W327 HydrophobicContact CE1-CZ3 4.17Å; F322-W327 HydrophobicContact CG-CE3 4.46Å; F322-W327 PolarHBondContact O-N 2.8Å; L325-W327 HydrophobicContact CB-CD2 3.76Å; L325-W327 HydrophobicContact CB-CE3 4.24Å; L325-W327 HydrophobicContact CB-CG 3.88Å; L325-W327 HydrophobicContact CD1-CD2 4.25Å; L325-W327 HydrophobicContact CD1-CE3 3.91Å; L325-W327 HydrophobicContact CD1-CH2 4.4Å; L325-W327 HydrophobicContact CD1-CZ3 4Å; L325-W327 HydrophobicContact CD2-CZ2 4.3Å; L325-W327 HydrophobicContact CG-CD2 4.47Å; W327-D329 PolarHBondContact O-N 3.29Å; W327-W330 HydrophobicContact CB-CZ2 3.86Å; W327-W330 AromaticContact CD1-NE1 3.74Å; W327-W330 HydrophobicContact CD2-CH2 4.45Å; W327-W330 AromaticContact CD2-CZ2 3.56Å; W327-W330 HydrophobicContact CD2-CZ2 3.56Å; W327-W330 HydrophobicContact CE3-CH2 4.18Å; W327-W330 AromaticContact CE3-CZ2 3.74Å; W327-W330 HydrophobicContact CE3-CZ2 3.74Å; W327-W330 AromaticContact CG-CE2 3.87Å; W327-W330 AromaticContact CG-CZ2 3.66Å; W327-W330 HydrophobicContact CG-CZ2 3.66Å; W327-W330 AromaticContact CG-NE1 3.65Å; W327-W330 HydrophobicContact CZ3-CH2 4.46Å; W327-W330 HydrophobicContact CZ3-CZ2 4.28Å; W327-W330 PolarHBondContact O-N 3.3Å; W327-I331 HydrophobicContact CB-CD1 3.81Å; W327-I331 HydrophobicContact CB-CG1 4.14Å; W327-I331 HydrophobicContact CD2-CD1 4.34Å; W327-I331 HydrophobicContact CE3-CD1 3.61Å; W327-I331 HydrophobicContact CG-CD1 4.49Å; W327-I331 HydrophobicContact CZ3-CD1 4.43Å; W327-I331 WeakPolarHBondContact O-CB 3.22Å; W327-I331 PolarHBondContact O-N 2.86Å
328	Q	85.8	Confident	87.5	Confident	59 Å²	59	31.9 Å²	31.9	28%	0.276	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.6	-178.9	-66.6	-76.6	-38.1	0	0	114	R323 W330 D335	R323-Q328 HydrophobicContact CB-CG 4.06Å; R323-Q328 HydrophobicContact CG-CG 3.99Å; Q328-W330 VanDerWaalsContact C-N 3.28Å; Q328-D335 PolarHBondContact NE2-OD1 3.13Å; Q328-D335 PolarHBondContact OE1-OD1 2.81Å
329	D	86.4	Confident	87.7	Confident	102 Å²	102	30.1 Å²	30.1	55%	0.545	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.4	175.8	-82	-52	0	0	0	113.3	K69 W327	K69-D329 IonicContact NZ-OD1 2.62Å; K69-D329 PolarHBondContact NZ-OD1 2.77Å; W327-D329 PolarHBondContact O-N 3.29Å
330	W	91.1	Very high	87.9	Confident	6 Å²	6	28.2 Å²	28.2	2%	0.023	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.2	-27.5	-175.2	64	-90.1	0	0	0	113.4	L56 L59 L61 P65 W327 Q328 Y391 F392	L56-W330 HydrophobicContact CD2-CH2 4.16Å; L56-W330 HydrophobicContact CD2-CZ2 3.99Å; L59-W330 HydrophobicContact CD1-CH2 3.85Å; L61-W330 HydrophobicContact CD1-CE3 4.46Å; L61-W330 HydrophobicContact CD1-CH2 3.71Å; L61-W330 HydrophobicContact CD1-CZ3 3.57Å; P65-W330 HydrophobicContact CB-CB 4.25Å; P65-W330 HydrophobicContact CG-CD2 4.21Å; P65-W330 HydrophobicContact CG-CE3 3.86Å; P65-W330 HydrophobicContact CG-CZ3 4.37Å; W327-W330 HydrophobicContact CB-CZ2 3.86Å; W327-W330 AromaticContact CD1-NE1 3.74Å; W327-W330 HydrophobicContact CD2-CH2 4.45Å; W327-W330 AromaticContact CD2-CZ2 3.56Å; W327-W330 HydrophobicContact CD2-CZ2 3.56Å; W327-W330 HydrophobicContact CE3-CH2 4.18Å; W327-W330 AromaticContact CE3-CZ2 3.74Å; W327-W330 HydrophobicContact CE3-CZ2 3.74Å; W327-W330 AromaticContact CG-CE2 3.87Å; W327-W330 AromaticContact CG-CZ2 3.66Å; W327-W330 HydrophobicContact CG-CZ2 3.66Å; W327-W330 AromaticContact CG-NE1 3.65Å; W327-W330 HydrophobicContact CZ3-CH2 4.46Å; W327-W330 HydrophobicContact CZ3-CZ2 4.28Å; W327-W330 PolarHBondContact O-N 3.3Å; Q328-W330 VanDerWaalsContact C-N 3.28Å; W330-Y391 AromaticContact CE3-CD2 3.99Å; W330-Y391 HydrophobicContact CE3-CD2 3.99Å; W330-Y391 HydrophobicContact CE3-CG 4.2Å; W330-Y391 AromaticContact CZ3-CD2 3.95Å; W330-Y391 HydrophobicContact CZ3-CD2 3.95Å; W330-Y391 HydrophobicContact CZ3-CG 4.06Å; W330-Y391 CarbonylContact O-C 3.4Å; W330-Y391 WeakPolarHBondContact O-CA 3.26Å; W330-Y391 WeakPolarHBondContact O-CB 3.42Å; W330-F392 PolarHBondContact O-N 3.17Å
331	I	91.8	Very high	88.2	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.7	167.7	-63.4	-177.3	0	0	0	108.9	F322 W327 V389	F322-I331 HydrophobicContact CB-CD1 3.95Å; F322-I331 HydrophobicContact CD1-CD1 3.96Å; F322-I331 HydrophobicContact CD2-CD1 4.09Å; F322-I331 HydrophobicContact CD2-CG2 4.3Å; F322-I331 HydrophobicContact CE1-CD1 4.49Å; F322-I331 HydrophobicContact CG-CD1 3.74Å; W327-I331 HydrophobicContact CB-CD1 3.81Å; W327-I331 HydrophobicContact CB-CG1 4.14Å; W327-I331 HydrophobicContact CD2-CD1 4.34Å; W327-I331 HydrophobicContact CE3-CD1 3.61Å; W327-I331 HydrophobicContact CG-CD1 4.49Å; W327-I331 HydrophobicContact CZ3-CD1 4.43Å; W327-I331 WeakPolarHBondContact O-CB 3.22Å; W327-I331 PolarHBondContact O-N 2.86Å; I331-V389 HydrophobicContact CG2-CG1 4.24Å
332	I	91.1	Very high	88.5	Confident	11 Å²	11	30.6 Å²	30.6	6%	0.056	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-46.9	176.4	-53.5	177.2	0	0	0	109.8	V84 F112 L390 F392 V398	V84-I332 HydrophobicContact CG2-CG2 3.88Å; F112-I332 HydrophobicContact CD2-CG2 3.93Å; F112-I332 HydrophobicContact CE2-CB 4.04Å; F112-I332 HydrophobicContact CE2-CG2 3.45Å; F112-I332 VanDerWaalsContact CE2-CG2 3.45Å; F112-I332 WeakPolarHBondContact CE2-O 3.21Å; F112-I332 HydrophobicContact CZ-CB 4.26Å; F112-I332 HydrophobicContact CZ-CG1 4.45Å; F112-I332 HydrophobicContact CZ-CG2 4.08Å; I332-L390 WeakPolarHBondContact CA-O 3.16Å; I332-L390 HydrophobicContact CB-CB 4.33Å; I332-L390 HydrophobicContact CB-CD2 3.92Å; I332-L390 HydrophobicContact CB-CG 3.9Å; I332-L390 WeakPolarHBondContact CB-O 3.41Å; I332-L390 HydrophobicContact CD1-CD2 4.35Å; I332-L390 HydrophobicContact CD1-CG 4.13Å; I332-L390 HydrophobicContact CG1-CG 4.49Å; I332-L390 HydrophobicContact CG2-CD2 3.67Å; I332-L390 HydrophobicContact CG2-CG 4.22Å; I332-L390 PolarHBondContact N-O 3.42Å; I332-F392 HydrophobicContact CD1-CD1 4.34Å; I332-F392 HydrophobicContact CD1-CD2 3.84Å; I332-F392 HydrophobicContact CD1-CE1 3.98Å; I332-F392 HydrophobicContact CD1-CE2 3.45Å; I332-F392 VanDerWaalsContact CD1-CE2 3.45Å; I332-F392 HydrophobicContact CD1-CG 4.27Å; I332-F392 HydrophobicContact CD1-CZ 3.52Å; I332-F392 HydrophobicContact CG1-CD2 3.77Å; I332-F392 HydrophobicContact CG1-CE2 3.49Å; I332-F392 VanDerWaalsContact CG1-CE2 3.49Å; I332-F392 HydrophobicContact CG1-CZ 4.09Å; I332-V398 HydrophobicContact CD1-CG1 3.79Å; I332-V398 HydrophobicContact CD1-CG2 4.23Å
333	A	90.7	Very high	88.6	Confident	3 Å²	3	33.3 Å²	33.3	3%	0.025	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	152.6	177.4	0	0	0	0	0	111.6	Y87 L108 V389 L390	Y87-A333 HydrophobicContact CD1-CB 4.02Å; Y87-A333 HydrophobicContact CD2-CB 4.44Å; Y87-A333 HydrophobicContact CE1-CB 3.75Å; Y87-A333 HydrophobicContact CE2-CB 4.17Å; Y87-A333 HydrophobicContact CG-CB 4.37Å; L108-A333 HydrophobicContact CD2-CB 4.2Å; A333-V389 WeakPolarHBondContact O-CA 3.45Å; A333-L390 HydrophobicContact CB-CB 4.23Å; A333-L390 PolarHBondContact N-O 2.79Å; A333-L390 PolarHBondContact O-N 2.87Å
334	P	92	Very high	88.8	Confident	12 Å²	12	26 Å²	26	8%	0.078	15%	0.148	C	C	.	.			cis	-76.2	176.5	-9.4	32.9	-36	0	0	0	112.2	F322 G336 S388	F322-P334 HydrophobicContact CD2-CG 4.32Å; F322-P334 WeakPolarHBondContact CD2-O 3.18Å; F322-P334 HydrophobicContact CE2-CG 3.99Å; P334-G336 WeakPolarHBondContact CB-O 3.39Å; P334-G336 PolarHBondContact O-N 2.71Å; P334-S388 WeakPolarHBondContact CD-O 3.41Å
335	D	88.4	Confident	89	Confident	42 Å²	42	27.9 Å²	27.9	23%	0.225	16%	0.156	C	C	.	.	S	Bend	trans	-69.8	-18.6	169.5	-81	-34.6	0	0	0	113.3	F322 R323 Q328	F322-D335 WeakPolarHBondContact CB-O 3.49Å; F322-D335 PolarHBondContact N-O 2.82Å; R323-D335 PolarHBondContact N-O 3.43Å; R323-D335 VanDerWaalsContact N-O 3.12Å; Q328-D335 PolarHBondContact NE2-OD1 3.13Å; Q328-D335 PolarHBondContact OE1-OD1 2.81Å
336	G	88.9	Confident	89.4	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.8	172.2	-177.2	0	0	0	0	0	109.5	Y319 V320 P334	Y319-G336 VanDerWaalsContact OH-CA 3.27Å; Y319-G336 WeakPolarHBondContact OH-CA 3.37Å; Y319-G336 PolarHBondContact OH-N 3.12Å; Y319-G336 PolarHBondContact OH-O 2.93Å; V320-G336 CarbonylContact O-C 3.53Å; V320-G336 WeakPolarHBondContact O-CA 3.27Å; P334-G336 WeakPolarHBondContact CB-O 3.39Å; P334-G336 PolarHBondContact O-N 2.71Å
337	Y	89.2	Confident	89.4	Confident	31 Å²	31	27.8 Å²	27.8	12%	0.122	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.1	-176.2	75	-78.3	0	0	0	111.8	Y319 V320 F322 A339 I387 M406 V407	Y319-Y337 WeakPolarHBondContact CA-O 3.2Å; Y319-Y337 VanDerWaalsContact CD2-C 3.47Å; Y319-Y337 WeakPolarHBondContact CD2-O 3.27Å; V320-Y337 HydrophobicContact CB-CD1 3.98Å; V320-Y337 HydrophobicContact CB-CE1 3.57Å; V320-Y337 HydrophobicContact CG1-CE1 3.94Å; V320-Y337 HydrophobicContact CG2-CE1 3.92Å; V320-Y337 PolarHBondContact N-O 3.08Å; V320-Y337 PolarHBondContact O-N 3.31Å; F322-Y337 HydrophobicContact CE1-CD1 4.37Å; F322-Y337 HydrophobicContact CE1-CE1 4.21Å; F322-Y337 HydrophobicContact CE2-CD1 4.02Å; F322-Y337 AromaticContact CZ-CD1 3.67Å; F322-Y337 HydrophobicContact CZ-CD1 3.67Å; F322-Y337 AromaticContact CZ-CE1 3.79Å; F322-Y337 HydrophobicContact CZ-CE1 3.79Å; Y337-A339 HydrophobicContact CD2-CB 4.12Å; Y337-A339 HydrophobicContact CE2-CB 3.43Å; Y337-A339 VanDerWaalsContact CE2-CB 3.43Å; Y337-A339 PolarHBondContact O-N 3.09Å; Y337-A339 VanDerWaalsContact O-N 3.17Å; Y337-I387 HydrophobicContact CD1-CD1 3.9Å; Y337-I387 HydrophobicContact CD2-CD1 4.03Å; Y337-I387 HydrophobicContact CD2-CG2 3.98Å; Y337-I387 HydrophobicContact CE1-CD1 4.08Å; Y337-I387 HydrophobicContact CE2-CD1 4.19Å; Y337-I387 HydrophobicContact CG-CD1 3.89Å; Y337-I387 HydrophobicContact CG-CG2 4.38Å; Y337-M406 HydrophobicContact CE1-CE 4.37Å; Y337-M406 HydrophobicContact CE2-CB 4.36Å; Y337-M406 WeakPolarHBondContact CE2-O 3.48Å; Y337-M406 WeakPolarHBondContact OH-CE 3.3Å; Y337-V407 HydrophobicContact CD2-CG2 3.81Å; Y337-V407 HydrophobicContact CE2-CG2 4.18Å
338	A	90.2	Very high	89	Confident	22 Å²	22	33 Å²	33	18%	0.182	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	90.3	174.5	0	0	0	0	0	109.6	L318 Y319 Y340	L318-A338 CarbonylContact O-C 3.55Å; L318-A338 WeakPolarHBondContact O-CA 3.39Å; Y319-A338 HydrophobicContact CD2-CB 4.41Å; A338-Y340 VanDerWaalsContact C-N 3.32Å; A338-Y340 HydrophobicContact CB-CD2 4.15Å; A338-Y340 HydrophobicContact CB-CE1 4.43Å; A338-Y340 HydrophobicContact CB-CE2 3.5Å; A338-Y340 VanDerWaalsContact CB-CE2 3.5Å; A338-Y340 WeakPolarHBondContact O-CD2 3.07Å; A338-Y340 WeakPolarHBondContact O-CE2 3.37Å
339	A	90.7	Very high	88.8	Confident	7 Å²	7	34.2 Å²	34.2	6%	0.058	18%	0.184	C	C	.	.			trans	-64.4	-38	176.9	0	0	0	0	0	112.2	L318 V320 Y337 V407 V408	L318-A339 HydrophobicContact CD2-CB 4.1Å; L318-A339 HydrophobicContact CG-CB 4.23Å; L318-A339 PolarHBondContact O-N 3.45Å; V320-A339 HydrophobicContact CG2-CB 4.04Å; Y337-A339 HydrophobicContact CD2-CB 4.12Å; Y337-A339 HydrophobicContact CE2-CB 3.43Å; Y337-A339 VanDerWaalsContact CE2-CB 3.43Å; Y337-A339 PolarHBondContact O-N 3.09Å; Y337-A339 VanDerWaalsContact O-N 3.17Å; A339-V407 WeakPolarHBondContact O-CA 3.43Å; A339-V408 PolarHBondContact O-N 3.32Å
340	Y	91.9	Very high	88.4	Confident	25 Å²	25	30.9 Å²	30.9	10%	0.098	17%	0.166	C	C	.	.			trans	55.9	168.7	-167.1	-52	-89.6	0	0	0	113.1	D101 R315 R316 T317 L318 A338 V407	D101-Y340 PolarHBondContact OD2-OH 2.7Å; R315-Y340 HydrophobicContact CG-CD1 4.14Å; R315-Y340 HydrophobicContact CG-CG 4.13Å; R316-Y340 VanDerWaalsContact O-CA 3.22Å; R316-Y340 WeakPolarHBondContact O-CA 3.39Å; R316-Y340 VanDerWaalsContact O-CB 3.24Å; R316-Y340 WeakPolarHBondContact O-CB 3.18Å; R316-Y340 WeakPolarHBondContact O-CD1 3.25Å; T317-Y340 HydrophobicContact CG2-CE1 4.46Å; L318-Y340 PolarHBondContact O-N 2.97Å; A338-Y340 VanDerWaalsContact C-N 3.32Å; A338-Y340 HydrophobicContact CB-CD2 4.15Å; A338-Y340 HydrophobicContact CB-CE1 4.43Å; A338-Y340 HydrophobicContact CB-CE2 3.5Å; A338-Y340 VanDerWaalsContact CB-CE2 3.5Å; A338-Y340 WeakPolarHBondContact O-CD2 3.07Å; A338-Y340 WeakPolarHBondContact O-CE2 3.37Å; Y340-V407 HydrophobicContact CD2-CG1 3.95Å; Y340-V407 HydrophobicContact CE2-CG1 4.2Å
341	Y	91.9	Very high	87.7	Confident	42 Å²	42	34.6 Å²	34.6	17%	0.165	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	163.6	171.9	70.4	-72.5	0	0	0	110.7	A30 W308 R316 T317 L318 F343	A30-Y341 HydrophobicContact CB-CE1 4.3Å; W308-Y341 HydrophobicContact CH2-CE2 4.06Å; W308-Y341 WeakPolarHBondContact CH2-OH 3.09Å; W308-Y341 WeakPolarHBondContact CZ2-OH 3.11Å; R316-Y341 HydrophobicContact CB-CD1 3.94Å; R316-Y341 HydrophobicContact CB-CE1 3.49Å; R316-Y341 VanDerWaalsContact CB-CE1 3.49Å; R316-Y341 HydrophobicContact CB-CE2 4.27Å; R316-Y341 PolarHBondContact N-O 3.15Å; R316-Y341 PolarHBondContact O-N 3.04Å; T317-Y341 VanDerWaalsContact O-CE1 3.3Å; T317-Y341 WeakPolarHBondContact O-CE1 3.49Å; L318-Y341 HydrophobicContact CB-CD1 3.71Å; L318-Y341 HydrophobicContact CB-CE1 4.33Å; Y341-F343 HydrophobicContact CD2-CB 3.94Å; Y341-F343 HydrophobicContact CE2-CB 3.52Å; Y341-F343 HydrophobicContact CE2-CD2 4.49Å; Y341-F343 HydrophobicContact CE2-CG 4.17Å
342	C	91.4	Very high	86.9	Confident	23 Å²	23	40.5 Å²	40.5	16%	0.155	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130	176.1	-63.3	0	0	0	0	110.2	A380 A381 V408 C411	C342-A380 PolarHBondContact SG-O 3.38Å; C342-A381 WeakPolarHBondContact SG-CA 3.26Å; C342-A381 PolarHBondContact SG-N 3.46Å; C342-A381 VanDerWaalsContact SG-N 3.38Å; C342-V408 VanDerWaalsContact SG-CG1 3.6Å; C342-C411 WeakPolarHBondContact CA-SG 3.39Å; C342-C411 HydrophobicContact CB-CB 3.77Å; C342-C411 WeakPolarHBondContact CB-SG 3.37Å; C342-C411 VanDerWaalsContact SG-CA 3.51Å; C342-C411 WeakPolarHBondContact SG-CB 3.49Å; C342-C411 CovalentContact SG-SG 2.03Å; C342-C411 PolarHBondContact SG-SG 3.36Å
343	F	89.4	Confident	86.2	Confident	57 Å²	57	47.8 Å²	47.8	25%	0.25	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	149.8	177	-176	-89.7	0	0	0	111.6	W308 Q314 R316 Y341	W308-F343 HydrophobicContact CD2-CD1 4.22Å; W308-F343 AromaticContact CD2-CE1 3.63Å; W308-F343 HydrophobicContact CD2-CE1 3.63Å; W308-F343 AromaticContact CD2-CZ 3.94Å; W308-F343 HydrophobicContact CD2-CZ 3.94Å; W308-F343 AromaticContact CE3-CD1 3.82Å; W308-F343 HydrophobicContact CE3-CD1 3.82Å; W308-F343 HydrophobicContact CE3-CD2 4.16Å; W308-F343 AromaticContact CE3-CE1 3.12Å; W308-F343 HydrophobicContact CE3-CE1 3.12Å; W308-F343 AromaticContact CE3-CE2 3.54Å; W308-F343 HydrophobicContact CE3-CE2 3.54Å; W308-F343 HydrophobicContact CE3-CG 4.3Å; W308-F343 AromaticContact CE3-CZ 2.98Å; W308-F343 HydrophobicContact CE3-CZ 2.98Å; W308-F343 HydrophobicContact CG-CE1 4.34Å; W308-F343 AromaticContact CH2-CD1 3.84Å; W308-F343 HydrophobicContact CH2-CD1 3.84Å; W308-F343 AromaticContact CH2-CD2 3.86Å; W308-F343 HydrophobicContact CH2-CD2 3.86Å; W308-F343 HydrophobicContact CH2-CE1 4.03Å; W308-F343 HydrophobicContact CH2-CE2 4.06Å; W308-F343 AromaticContact CH2-CG 3.77Å; W308-F343 HydrophobicContact CH2-CG 3.77Å; W308-F343 HydrophobicContact CH2-CZ 4.16Å; W308-F343 HydrophobicContact CZ2-CD1 4.35Å; W308-F343 AromaticContact CZ3-CD1 3.62Å; W308-F343 HydrophobicContact CZ3-CD1 3.62Å; W308-F343 AromaticContact CZ3-CD2 3.39Å; W308-F343 HydrophobicContact CZ3-CD2 3.39Å; W308-F343 AromaticContact CZ3-CE1 3.36Å; W308-F343 HydrophobicContact CZ3-CE1 3.36Å; W308-F343 AromaticContact CZ3-CE2 3.12Å; W308-F343 HydrophobicContact CZ3-CE2 3.12Å; W308-F343 AromaticContact CZ3-CG 3.64Å; W308-F343 HydrophobicContact CZ3-CG 3.64Å; W308-F343 AromaticContact CZ3-CZ 3.12Å; W308-F343 HydrophobicContact CZ3-CZ 3.12Å; W308-F343 WeakPolarHBondContact O-CE1 3.49Å; Q314-F343 PolarHBondContact N-O 2.76Å; Q314-F343 PolarHBondContact O-N 3.44Å; Q314-F343 VanDerWaalsContact O-O 3.08Å; R316-F343 HydrophobicContact CG-CB 4.32Å; R316-F343 VanDerWaalsContact CZ-CD1 3.5Å; Y341-F343 HydrophobicContact CD2-CB 3.94Å; Y341-F343 HydrophobicContact CE2-CB 3.52Å; Y341-F343 HydrophobicContact CE2-CD2 4.49Å; Y341-F343 HydrophobicContact CE2-CG 4.17Å
344	G	86.9	Confident	85.9	Confident	15 Å²	15	48 Å²	48	16%	0.155	26%	0.257	C	S	.	.	S	Bend	trans	127.8	172.8	177.8	0	0	0	0	0	111.5	S311 C379	S311-G344 CarbonylContact O-C 3.47Å; S311-G344 WeakPolarHBondContact O-CA 3.07Å; S311-G344 WeakPolarHBondContact OG-CA 3.23Å; G344-C379 WeakPolarHBondContact O-CB 3.35Å
345	E	87	Confident	85.7	Confident	74 Å²	74	51.5 Å²	51.5	35%	0.346	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-91.3	144.2	-177.5	-71.9	-165.9	161.6	0	0	112.9	T309 S311 C313 S347 K376	T309-E345 WeakPolarHBondContact O-CG 3.34Å; S311-E345 PolarHBondContact O-N 3.14Å; C313-E345 PolarHBondContact N-O 3.38Å; E345-S347 PolarHBondContact OE2-OG 3.34Å; E345-S347 VanDerWaalsContact OE2-OG 3.11Å; E345-K376 IonicContact OE1-NZ 3.22Å; E345-K376 PolarHBondContact OE1-NZ 3.21Å; E345-K376 IonicContact OE2-NZ 2.82Å; E345-K376 PolarHBondContact OE2-NZ 3.07Å
346	C	89.8	Confident	85.7	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	28%	0.275	C	S	.	.			trans	-99.6	75.1	170	-66.9	0	0	0	0	109.7	L350 P377 C413	C346-L350 HydrophobicContact CB-CD2 4.1Å; C346-P377 HydrophobicContact CB-CB 4.08Å; C346-P377 HydrophobicContact CB-CG 4.44Å; C346-C413 HydrophobicContact CB-CB 3.78Å; C346-C413 WeakPolarHBondContact CB-SG 3.49Å; C346-C413 VanDerWaalsContact SG-CA 3.54Å; C346-C413 WeakPolarHBondContact SG-CB 3.42Å; C346-C413 CovalentContact SG-SG 2.03Å; C346-C413 PolarHBondContact SG-SG 2.84Å
347	S	84.6	Confident	85.8	Confident	44 Å²	44	53 Å²	53	31%	0.308	29%	0.288	S	S	.	.			trans	-106.9	143.8	-178	-66.5	0	0	0	0	110.9	E345 P349 K376	E345-S347 PolarHBondContact OE2-OG 3.34Å; E345-S347 VanDerWaalsContact OE2-OG 3.11Å; S347-P349 CarbonylContact O-C 3.58Å; S347-K376 PolarHBondContact OG-NZ 3.41Å
348	F	80	Confident	86	Confident	115 Å²	115	58 Å²	58	50%	0.504	32%	0.317	S	S	.	.	S	Bend	trans	-68.7	141.2	-179.3	-170.3	-90.9	0	0	0	112.1	T364 L365 L368	F348-T364 HydrophobicContact CB-CG2 3.82Å; F348-L365 HydrophobicContact CD2-CD2 4.04Å; F348-L365 HydrophobicContact CE2-CD2 3.86Å; F348-L365 HydrophobicContact CZ-CD2 4.47Å; F348-L368 HydrophobicContact CB-CD1 3.77Å; F348-L368 HydrophobicContact CB-CG 4.47Å; F348-L368 HydrophobicContact CD1-CD1 4.29Å; F348-L368 HydrophobicContact CG-CD1 3.98Å
349	P	80.8	Confident	86.1	Confident	83 Å²	83	62.6 Å²	62.6	54%	0.539	33%	0.334	S	S	.	.	S	Bend	cis	-75.2	137.7	-3.4	30.8	-34.2	0	0	0	112.5	S347 N351	S347-P349 CarbonylContact O-C 3.58Å; P349-N351 PolarHBondContact O-N 3.19Å
350	L	78.9	Confident	86.2	Confident	32 Å²	32	62.2 Å²	62.2	17%	0.168	33%	0.332	C	S	.	.			trans	-75.3	110.3	173.1	-60.7	179	0	0	0	108.5	C346 M354 A356 I361	C346-L350 HydrophobicContact CB-CD2 4.1Å; L350-M354 HydrophobicContact CB-SD 4.14Å; L350-M354 HydrophobicContact CD2-SD 3.68Å; L350-A356 HydrophobicContact CB-CB 4.03Å; L350-A356 HydrophobicContact CD1-CB 3.49Å; L350-A356 VanDerWaalsContact CD1-CB 3.49Å; L350-A356 HydrophobicContact CG-CB 4.34Å; L350-I361 HydrophobicContact CD1-CG1 4Å
351	N	76.4	Confident	86.2	Confident	85 Å²	85	64.1 Å²	64.1	46%	0.455	34%	0.342	S	S	.	.			trans	-67.4	155.4	179.1	-71.3	-15.4	0	0	0	111	P349 H353 M354	P349-N351 PolarHBondContact O-N 3.19Å; N351-H353 PolarHBondContact O-N 3.01Å; N351-H353 VanDerWaalsContact O-N 3.13Å; N351-M354 HydrophobicContact CB-CE 4.15Å; N351-M354 HydrophobicContact CB-CG 4.41Å; N351-M354 WeakPolarHBondContact O-CB 3.5Å; N351-M354 PolarHBondContact O-N 2.96Å
352	T	75.2	Confident	86.2	Confident	124 Å²	124	66.3 Å²	66.3	76%	0.761	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-55.4	-32.4	178.5	49.4	0	0	0	0	113.2	M354 N355	T352-M354 PolarHBondContact O-N 2.64Å; T352-N355 PolarHBondContact O-N 2.65Å
353	H	75.9	Confident	86.4	Confident	164 Å²	164	67 Å²	67	76%	0.759	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-68.6	-14	176.7	-57.7	-62.8	0	0	0	114.4	N351 N355	N351-H353 PolarHBondContact O-N 3.01Å; N351-H353 VanDerWaalsContact O-N 3.13Å; H353-N355 VanDerWaalsContact C-N 3.31Å
354	M	84	Confident	86.4	Confident	8 Å²	8	64.4 Å²	64.4	4%	0.039	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-84.9	0.8	179	-58.7	179.6	-168.6	0	0	113.3	V312 L350 N351 T352 A356 G412 C413	V312-M354 HydrophobicContact CB-CE 4.33Å; V312-M354 HydrophobicContact CG1-CE 3.36Å; V312-M354 HydrophobicContact CG1-CG 4.2Å; V312-M354 HydrophobicContact CG1-SD 4.38Å; V312-M354 HydrophobicContact CG2-CE 4.2Å; L350-M354 HydrophobicContact CB-SD 4.14Å; L350-M354 HydrophobicContact CD2-SD 3.68Å; N351-M354 HydrophobicContact CB-CE 4.15Å; N351-M354 HydrophobicContact CB-CG 4.41Å; N351-M354 WeakPolarHBondContact O-CB 3.5Å; N351-M354 PolarHBondContact O-N 2.96Å; T352-M354 PolarHBondContact O-N 2.64Å; M354-A356 PolarHBondContact O-N 3.19Å; M354-G412 CarbonylContact O-C 3.57Å; M354-G412 WeakPolarHBondContact O-CA 3.47Å; M354-C413 PolarHBondContact O-N 2.91Å
355	N	87.7	Confident	86.6	Confident	86 Å²	86	67.2 Å²	67.2	46%	0.46	36%	0.361	S	S	.	.			trans	44.2	39.7	178.1	-63	-47.4	0	0	0	113.7	T352 H353 T357 C411	T352-N355 PolarHBondContact O-N 2.65Å; H353-N355 VanDerWaalsContact C-N 3.31Å; N355-T357 PolarHBondContact O-N 2.75Å; N355-C411 PolarHBondContact ND2-O 3.31Å
356	A	89.9	Confident	87	Confident	28 Å²	28	65.9 Å²	65.9	23%	0.231	36%	0.358	C	S	.	.			trans	-69.1	132.6	-170.3	0	0	0	0	0	111.4	L350 M354 I361 C413	L350-A356 HydrophobicContact CB-CB 4.03Å; L350-A356 HydrophobicContact CD1-CB 3.49Å; L350-A356 VanDerWaalsContact CD1-CB 3.49Å; L350-A356 HydrophobicContact CG-CB 4.34Å; M354-A356 PolarHBondContact O-N 3.19Å; A356-I361 HydrophobicContact CB-CG1 4.11Å; A356-C413 HydrophobicContact CB-CB 4.14Å
357	T	90.5	Very high	87.1	Confident	45 Å²	45	67.2 Å²	67.2	28%	0.276	36%	0.364	S	S	.	.			trans	-70.2	157.1	172.1	67.9	0	0	0	0	111.1	N355 H359 A360 I361 C413 H414	N355-T357 PolarHBondContact O-N 2.75Å; T357-H359 PolarHBondContact O-N 2.92Å; T357-A360 PolarHBondContact O-N 2.85Å; T357-A360 WeakPolarHBondContact OG1-CB 3.41Å; T357-A360 PolarHBondContact OG1-N 2.82Å; T357-I361 WeakPolarHBondContact O-CG1 3.49Å; T357-I361 PolarHBondContact O-N 2.9Å; T357-C413 PolarHBondContact N-O 3.32Å; T357-H414 WeakPolarHBondContact CG2-CE1 3.37Å; T357-H414 VanDerWaalsContact CG2-ND1 3.26Å; T357-H414 WeakPolarHBondContact CG2-ND1 3.25Å
358	N	92.4	Very high	87.4	Confident	138 Å²	138	70 Å²	70	74%	0.738	38%	0.375	S	S	*	.	H	α-helix	trans	-55.1	-36	171.6	-70.2	-19.2	0	0	0	111.8	I361 V362	N358-I361 PolarHBondContact O-N 2.8Å; N358-V362 WeakPolarHBondContact O-CG2 3.4Å; N358-V362 PolarHBondContact O-N 2.94Å; N358-V362 VanDerWaalsContact O-N 3.08Å
359	H	93.2	Very high	88	Confident	117 Å²	117	70.1 Å²	70.1	54%	0.542	38%	0.378	S	S	.	.	H	α-helix	trans	-61	-50.4	174.1	178	-91.6	0	0	0	111.5	T357 I361 V362 Q363 H414	T357-H359 PolarHBondContact O-N 2.92Å; H359-I361 VanDerWaalsContact C-N 3.31Å; H359-I361 PolarHBondContact O-N 2.84Å; H359-V362 PolarHBondContact O-N 3.4Å; H359-Q363 PolarHBondContact CE1-OE1 3.13Å; H359-Q363 WeakPolarHBondContact O-CB 3.45Å; H359-Q363 PolarHBondContact O-N 3.26Å; H359-H414 PolarHBondContact ND1-OXT 3.11Å
360	A	93.1	Very high	88.6	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61.7	-36.6	178.6	0	0	0	0	0	112.6	T357 T364 P377 C413	T357-A360 PolarHBondContact O-N 2.85Å; T357-A360 WeakPolarHBondContact OG1-CB 3.41Å; T357-A360 PolarHBondContact OG1-N 2.82Å; A360-T364 WeakPolarHBondContact O-CB 3.22Å; A360-T364 PolarHBondContact O-N 2.77Å; A360-T364 PolarHBondContact O-OG1 3.04Å; A360-P377 HydrophobicContact CB-CB 3.95Å; A360-P377 HydrophobicContact CB-CG 3.97Å; A360-P377 WeakPolarHBondContact O-CG 3.25Å; A360-C413 HydrophobicContact CB-CB 4.26Å; A360-C413 WeakPolarHBondContact CB-O 3.38Å
361	I	90.9	Very high	89.2	Confident	64 Å²	64	73.7 Å²	73.7	33%	0.328	39%	0.388	S	S	.	.	H	α-helix	trans	-62.3	-50.6	174.5	-64.9	166.3	0	0	0	110.3	L350 A356 T357 N358 H359 Q363 T364 L365	L350-I361 HydrophobicContact CD1-CG1 4Å; A356-I361 HydrophobicContact CB-CG1 4.11Å; T357-I361 WeakPolarHBondContact O-CG1 3.49Å; T357-I361 PolarHBondContact O-N 2.9Å; N358-I361 PolarHBondContact O-N 2.8Å; H359-I361 VanDerWaalsContact C-N 3.31Å; H359-I361 PolarHBondContact O-N 2.84Å; I361-Q363 PolarHBondContact O-N 2.72Å; I361-T364 PolarHBondContact O-N 2.99Å; I361-L365 HydrophobicContact CG2-CD1 4.33Å; I361-L365 WeakPolarHBondContact O-CG 3.23Å; I361-L365 PolarHBondContact O-N 3.3Å
362	V	93.3	Very high	90	Very high	89 Å²	89	78.4 Å²	78.4	54%	0.539	41%	0.407	S	S	.	.	H	α-helix	trans	-61.5	-45.4	178.4	173	0	0	0	0	110.9	N358 H359 T364 L365 V366	N358-V362 WeakPolarHBondContact O-CG2 3.4Å; N358-V362 PolarHBondContact O-N 2.94Å; N358-V362 VanDerWaalsContact O-N 3.08Å; H359-V362 PolarHBondContact O-N 3.4Å; V362-T364 VanDerWaalsContact C-N 3.32Å; V362-T364 PolarHBondContact O-N 2.91Å; V362-L365 PolarHBondContact O-N 3.03Å; V362-V366 HydrophobicContact CG1-CG2 4.42Å; V362-V366 WeakPolarHBondContact O-CG2 3.36Å; V362-V366 PolarHBondContact O-N 2.83Å
363	Q	93.7	Very high	90.9	Very high	36 Å²	36	82.3 Å²	82.3	17%	0.168	41%	0.408	C	S	.	.	H	α-helix	trans	-61.4	-40.3	177.7	-178	175.2	-27.6	0	0	111.7	H359 I361 V366 H367 V374 P375 K376 P377	H359-Q363 PolarHBondContact CE1-OE1 3.13Å; H359-Q363 WeakPolarHBondContact O-CB 3.45Å; H359-Q363 PolarHBondContact O-N 3.26Å; I361-Q363 PolarHBondContact O-N 2.72Å; Q363-V366 PolarHBondContact O-N 2.89Å; Q363-H367 VanDerWaalsContact O-CB 3.31Å; Q363-H367 WeakPolarHBondContact O-CB 3.33Å; Q363-H367 PolarHBondContact O-N 2.76Å; Q363-V374 HydrophobicContact CG-CG1 3.8Å; Q363-P375 PolarHBondContact NE2-O 3.07Å; Q363-K376 PolarHBondContact NE2-O 2.91Å; Q363-P377 HydrophobicContact CB-CG 4.23Å; Q363-P377 HydrophobicContact CG-CG 4.24Å
364	T	90.2	Very high	91.7	Very high	3 Å²	3	76.2 Å²	76.2	2%	0.018	38%	0.383	C	S	.	.	H	α-helix	trans	-62.8	-44.5	175.3	-54.6	0	0	0	0	111.2	F348 A360 I361 V362 V366 H367 L368 P377	F348-T364 HydrophobicContact CB-CG2 3.82Å; A360-T364 WeakPolarHBondContact O-CB 3.22Å; A360-T364 PolarHBondContact O-N 2.77Å; A360-T364 PolarHBondContact O-OG1 3.04Å; I361-T364 PolarHBondContact O-N 2.99Å; V362-T364 VanDerWaalsContact C-N 3.32Å; V362-T364 PolarHBondContact O-N 2.91Å; T364-V366 VanDerWaalsContact C-N 3.34Å; T364-V366 PolarHBondContact O-N 2.84Å; T364-H367 PolarHBondContact O-N 2.87Å; T364-L368 WeakPolarHBondContact O-CG 3.31Å; T364-L368 PolarHBondContact O-N 3.34Å; T364-P377 WeakPolarHBondContact OG1-CD 3.34Å; T364-P377 VanDerWaalsContact OG1-CG 3.25Å; T364-P377 WeakPolarHBondContact OG1-CG 3.46Å
365	L	92.1	Very high	92.1	Very high	74 Å²	74	79.7 Å²	79.7	39%	0.387	41%	0.406	S	S	.	.	H	α-helix	trans	-62.3	-39.8	176.6	-69	172.3	0	0	0	112.3	F348 I361 V362 L368 M369	F348-L365 HydrophobicContact CD2-CD2 4.04Å; F348-L365 HydrophobicContact CE2-CD2 3.86Å; F348-L365 HydrophobicContact CZ-CD2 4.47Å; I361-L365 HydrophobicContact CG2-CD1 4.33Å; I361-L365 WeakPolarHBondContact O-CG 3.23Å; I361-L365 PolarHBondContact O-N 3.3Å; V362-L365 PolarHBondContact O-N 3.03Å; L365-L368 HydrophobicContact CD2-CD1 4.43Å; L365-L368 WeakPolarHBondContact O-CB 3.26Å; L365-L368 PolarHBondContact O-N 2.87Å; L365-M369 PolarHBondContact O-N 2.86Å
366	V	93.9	Very high	92.2	Very high	46 Å²	46	78.6 Å²	78.6	28%	0.279	40%	0.397	S	S	.	.	H	α-helix	trans	-70.6	-39.5	176	-178.6	0	0	0	0	111.4	V362 Q363 T364 L368 M369 Y370 V374	V362-V366 HydrophobicContact CG1-CG2 4.42Å; V362-V366 WeakPolarHBondContact O-CG2 3.36Å; V362-V366 PolarHBondContact O-N 2.83Å; Q363-V366 PolarHBondContact O-N 2.89Å; T364-V366 VanDerWaalsContact C-N 3.34Å; T364-V366 PolarHBondContact O-N 2.84Å; V366-L368 VanDerWaalsContact C-N 3.29Å; V366-L368 PolarHBondContact O-N 2.85Å; V366-M369 HydrophobicContact CB-CE 4.43Å; V366-M369 HydrophobicContact CG2-CE 4.17Å; V366-M369 PolarHBondContact O-N 3.04Å; V366-Y370 HydrophobicContact CG1-CD2 4.29Å; V366-Y370 PolarHBondContact O-N 2.71Å; V366-V374 HydrophobicContact CB-CG1 4.45Å; V366-V374 HydrophobicContact CG1-CB 4.15Å; V366-V374 HydrophobicContact CG1-CG1 4.31Å; V366-V374 HydrophobicContact CG1-CG2 3.64Å
367	H	91.8	Very high	92.3	Very high	30 Å²	30	77.6 Å²	77.6	14%	0.139	39%	0.388	C	S	.	.	H	α-helix	trans	-58.8	-39.1	173.6	175.5	76	0	0	0	111.7	Q363 T364 M369 Y370 P371 V374 K376	Q363-H367 VanDerWaalsContact O-CB 3.31Å; Q363-H367 WeakPolarHBondContact O-CB 3.33Å; Q363-H367 PolarHBondContact O-N 2.76Å; T364-H367 PolarHBondContact O-N 2.87Å; H367-M369 PolarHBondContact O-N 2.89Å; H367-Y370 CarbonylContact O-C 3.56Å; H367-Y370 PolarHBondContact O-N 2.89Å; H367-P371 VanDerWaalsContact O-CA 3.28Å; H367-P371 WeakPolarHBondContact O-CA 3.19Å; H367-P371 VanDerWaalsContact O-CD 3.32Å; H367-P371 WeakPolarHBondContact O-CD 3.3Å; H367-V374 HydrophobicContact CB-CG1 4.49Å; H367-V374 PolarHBondContact ND1-O 3.48Å; H367-K376 VanDerWaalsContact CD2-CG 3.43Å; H367-K376 WeakPolarHBondContact CD2-CG 3.29Å; H367-K376 WeakPolarHBondContact NE2-CE 3.23Å; H367-K376 WeakPolarHBondContact NE2-CG 3.42Å
368	L	90.9	Very high	92.4	Very high	103 Å²	103	82.9 Å²	82.9	54%	0.539	41%	0.407	S	S	.	.	H	α-helix	trans	-59.5	-32.4	173.9	-70.8	175.1	0	0	0	112.9	F348 T364 L365 V366	F348-L368 HydrophobicContact CB-CD1 3.77Å; F348-L368 HydrophobicContact CB-CG 4.47Å; F348-L368 HydrophobicContact CD1-CD1 4.29Å; F348-L368 HydrophobicContact CG-CD1 3.98Å; T364-L368 WeakPolarHBondContact O-CG 3.31Å; T364-L368 PolarHBondContact O-N 3.34Å; L365-L368 HydrophobicContact CD2-CD1 4.43Å; L365-L368 WeakPolarHBondContact O-CB 3.26Å; L365-L368 PolarHBondContact O-N 2.87Å; V366-L368 VanDerWaalsContact C-N 3.29Å; V366-L368 PolarHBondContact O-N 2.85Å
369	M	93.3	Very high	92.4	Very high	118 Å²	118	77.4 Å²	77.4	58%	0.581	38%	0.38	S	S	*	.	H	α-helix	trans	-85.1	-36.7	178.6	-64	-175.2	-74.1	0	0	112.5	L365 V366 H367	L365-M369 PolarHBondContact O-N 2.86Å; V366-M369 HydrophobicContact CB-CE 4.43Å; V366-M369 HydrophobicContact CG2-CE 4.17Å; V366-M369 PolarHBondContact O-N 3.04Å; H367-M369 PolarHBondContact O-N 2.89Å
370	Y	94.2	Very high	92.5	Very high	123 Å²	123	73.7 Å²	73.7	48%	0.482	37%	0.369	S	S	.	.			trans	-138.5	68.9	-173.1	-55.3	-75.9	0	0	0	112	V366 H367 E372 R373 V374	V366-Y370 HydrophobicContact CG1-CD2 4.29Å; V366-Y370 PolarHBondContact O-N 2.71Å; H367-Y370 CarbonylContact O-C 3.56Å; H367-Y370 PolarHBondContact O-N 2.89Å; Y370-E372 PolarHBondContact O-N 2.99Å; Y370-R373 PolarHBondContact O-N 3.41Å; Y370-V374 PolarHBondContact O-N 2.65Å
371	P	91	Very high	92.5	Very high	66 Å²	66	75.7 Å²	75.7	43%	0.429	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.2	-173.4	23.9	-33.9	0	0	0	113.2	H367 R373	H367-P371 VanDerWaalsContact O-CA 3.28Å; H367-P371 WeakPolarHBondContact O-CA 3.19Å; H367-P371 VanDerWaalsContact O-CD 3.32Å; H367-P371 WeakPolarHBondContact O-CD 3.3Å; P371-R373 VanDerWaalsContact C-N 3.3Å; P371-R373 PolarHBondContact O-N 2.81Å
372	E	93.7	Very high	92.6	Very high	184 Å²	184	75.3 Å²	75.3	86%	0.86	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.6	178	-56.7	-55.2	139.5	0	0	113.7	Y370	Y370-E372 PolarHBondContact O-N 2.99Å
373	R	93.3	Very high	92.5	Very high	206 Å²	206	77.6 Å²	77.6	78%	0.777	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-29.4	-175.9	-64.1	-174.2	177.4	-174.6	-0.7	113.5	Y370 P371	Y370-R373 PolarHBondContact O-N 3.41Å; P371-R373 VanDerWaalsContact C-N 3.3Å; P371-R373 PolarHBondContact O-N 2.81Å
374	V	92.4	Very high	92.5	Very high	37 Å²	37	79.1 Å²	79.1	22%	0.224	40%	0.398	C	S	.	.	S	Bend	trans	-127.7	121.7	-176.2	177.3	0	0	0	0	107.8	Q363 V366 H367 Y370	Q363-V374 HydrophobicContact CG-CG1 3.8Å; V366-V374 HydrophobicContact CB-CG1 4.45Å; V366-V374 HydrophobicContact CG1-CB 4.15Å; V366-V374 HydrophobicContact CG1-CG1 4.31Å; V366-V374 HydrophobicContact CG1-CG2 3.64Å; H367-V374 HydrophobicContact CB-CG1 4.49Å; H367-V374 PolarHBondContact ND1-O 3.48Å; Y370-V374 PolarHBondContact O-N 2.65Å
375	P	92.3	Very high	92.6	Very high	80 Å²	80	80.3 Å²	80.3	52%	0.519	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-72	159.7	178	30.1	-34.4	0	0	0	111.5	Q363	Q363-P375 PolarHBondContact NE2-O 3.07Å
376	K	90.1	Very high	92.5	Very high	64 Å²	64	77.7 Å²	77.7	28%	0.278	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-61.1	151	167	-65.8	-177.6	-177.1	175.7	0	110.2	E345 S347 Q363 H367	E345-K376 IonicContact OE1-NZ 3.22Å; E345-K376 PolarHBondContact OE1-NZ 3.21Å; E345-K376 IonicContact OE2-NZ 2.82Å; E345-K376 PolarHBondContact OE2-NZ 3.07Å; S347-K376 PolarHBondContact OG-NZ 3.41Å; Q363-K376 PolarHBondContact NE2-O 2.91Å; H367-K376 VanDerWaalsContact CD2-CG 3.43Å; H367-K376 WeakPolarHBondContact CD2-CG 3.29Å; H367-K376 WeakPolarHBondContact NE2-CE 3.23Å; H367-K376 WeakPolarHBondContact NE2-CG 3.42Å
377	P	92.1	Very high	92.3	Very high	6 Å²	6	76.2 Å²	76.2	4%	0.039	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-58.4	154.4	166.3	-20.7	32.5	0	0	0	111.6	C346 A360 Q363 T364 C413 H414	C346-P377 HydrophobicContact CB-CB 4.08Å; C346-P377 HydrophobicContact CB-CG 4.44Å; A360-P377 HydrophobicContact CB-CB 3.95Å; A360-P377 HydrophobicContact CB-CG 3.97Å; A360-P377 WeakPolarHBondContact O-CG 3.25Å; Q363-P377 HydrophobicContact CB-CG 4.23Å; Q363-P377 HydrophobicContact CG-CG 4.24Å; T364-P377 WeakPolarHBondContact OG1-CD 3.34Å; T364-P377 VanDerWaalsContact OG1-CG 3.25Å; T364-P377 WeakPolarHBondContact OG1-CG 3.46Å; P377-C413 HydrophobicContact CB-CB 4.49Å; P377-H414 WeakPolarHBondContact CB-O 3.45Å
378	F	92.6	Very high	92.3	Very high	157 Å²	157	75.1 Å²	75.1	69%	0.689	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-92.8	145	178.7	-72.5	-81.5	0	0	0	111.1	A380 H414	F378-A380 PolarHBondContact O-N 2.91Å; F378-H414 PolarHBondContact N-O 3.25Å; F378-H414 PolarHBondContact O-N 3.23Å; F378-H414 VanDerWaalsContact O-N 3.11Å
379	C	92.3	Very high	92.4	Very high	23 Å²	23	70.2 Å²	70.2	16%	0.155	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	113	168.7	-171.4	0	0	0	0	108.8	C313 G344 G412	C313-C379 WeakPolarHBondContact CA-SG 3.49Å; C313-C379 HydrophobicContact CB-CB 3.73Å; C313-C379 WeakPolarHBondContact CB-SG 3.11Å; C313-C379 VanDerWaalsContact SG-CA 3.58Å; C313-C379 WeakPolarHBondContact SG-CB 3.35Å; C313-C379 CovalentContact SG-SG 2.04Å; C313-C379 PolarHBondContact SG-SG 3.38Å; G344-C379 WeakPolarHBondContact O-CB 3.35Å; C379-G412 WeakPolarHBondContact CA-O 3.49Å
380	A	94.4	Very high	92.4	Very high	38 Å²	38	64.6 Å²	64.6	31%	0.314	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	163	-175.3	0	0	0	0	0	111.7	C342 F378 C411 G412	C342-A380 PolarHBondContact SG-O 3.38Å; F378-A380 PolarHBondContact O-N 2.91Å; A380-C411 CarbonylContact O-C 3.44Å; A380-C411 WeakPolarHBondContact O-CA 3.07Å; A380-G412 PolarHBondContact N-O 2.8Å; A380-G412 PolarHBondContact O-N 3.02Å
381	A	94.1	Very high	92.4	Very high	42 Å²	42	59.4 Å²	59.4	35%	0.347	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133	177.1	0	0	0	0	0	110.6	C342 L384 V408 S410	C342-A381 WeakPolarHBondContact SG-CA 3.26Å; C342-A381 PolarHBondContact SG-N 3.46Å; C342-A381 VanDerWaalsContact SG-N 3.38Å; A381-L384 HydrophobicContact CB-CD2 3.64Å; A381-L384 HydrophobicContact CB-CG 4.36Å; A381-V408 HydrophobicContact CB-CG1 3.94Å; A381-V408 HydrophobicContact CB-CG2 4Å; A381-S410 WeakPolarHBondContact CA-O 3.39Å
382	T	92.5	Very high	92.5	Very high	56 Å²	56	57.5 Å²	57.5	34%	0.344	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-28.5	179.1	62.3	0	0	0	0	112.7	S410 H414	T382-S410 PolarHBondContact N-O 2.92Å; T382-S410 PolarHBondContact OG1-O 3.1Å; T382-S410 PolarHBondContact OG1-OG 3.39Å; T382-H414 WeakPolarHBondContact CG2-NE2 3.45Å
383	K	92.5	Very high	92.3	Very high	137 Å²	137	49.1 Å²	49.1	60%	0.596	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	131	172.8	-168.4	177.1	-179.8	179.5	0	108.6	K409 S410	K383-K409 HydrophobicContact CB-CB 4.14Å; K383-K409 HydrophobicContact CD-CB 4.29Å; K383-K409 HydrophobicContact CG-CB 4.12Å; K383-K409 PolarHBondContact O-N 3.34Å; K383-S410 WeakPolarHBondContact CB-OG 2.77Å; K383-S410 PolarHBondContact N-OG 2.97Å; K383-S410 PolarHBondContact O-N 2.85Å
384	L	93.3	Very high	92.1	Very high	68 Å²	68	42 Å²	42	36%	0.356	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	159.3	173.7	-57.4	168	0	0	0	109.2	A381 N405 V407 V408	A381-L384 HydrophobicContact CB-CD2 3.64Å; A381-L384 HydrophobicContact CB-CG 4.36Å; L384-N405 HydrophobicContact CB-CB 4.14Å; L384-N405 WeakPolarHBondContact CB-OD1 3.25Å; L384-N405 HydrophobicContact CD1-CB 3.7Å; L384-V407 CarbonylContact C-O 3.48Å; L384-V407 WeakPolarHBondContact CA-O 3.26Å; L384-V408 HydrophobicContact CD2-CB 4.47Å; L384-V408 HydrophobicContact CD2-CG2 3.92Å
385	S	91	Very high	92	Very high	28 Å²	28	43.1 Å²	43.1	20%	0.196	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	167.5	170.4	67.5	0	0	0	0	111.8	N405 M406 V407 K409	S385-N405 CarbonylContact O-C 3.57Å; S385-N405 PolarHBondContact O-N 3.48Å; S385-M406 PolarHBondContact O-N 2.76Å; S385-V407 PolarHBondContact N-O 2.97Å; S385-V407 PolarHBondContact O-N 3.37Å; S385-V407 VanDerWaalsContact O-N 3.1Å; S385-V407 WeakPolarHBondContact OG-CB 3.4Å; S385-K409 WeakPolarHBondContact OG-CE 2.92Å
386	S	89.9	Confident	91.9	Very high	20 Å²	20	39.3 Å²	39.3	14%	0.14	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	167.6	174.4	45.4	0	0	0	0	113	E94 K402 Y403	E94-S386 PolarHBondContact OE1-OG 2.85Å; S386-K402 WeakPolarHBondContact OG-CE 3.36Å; S386-Y403 CarbonylContact C-O 3.55Å; S386-Y403 WeakPolarHBondContact CA-O 3.46Å; S386-Y403 WeakPolarHBondContact CB-O 3.23Å
387	I	90.4	Very high	92	Very high	14 Å²	14	36.3 Å²	36.3	7%	0.072	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154	155.2	64.3	178.3	0	0	0	108.3	Y337 V389 Y403 M406 V407	Y337-I387 HydrophobicContact CD1-CD1 3.9Å; Y337-I387 HydrophobicContact CD2-CD1 4.03Å; Y337-I387 HydrophobicContact CD2-CG2 3.98Å; Y337-I387 HydrophobicContact CE1-CD1 4.08Å; Y337-I387 HydrophobicContact CE2-CD1 4.19Å; Y337-I387 HydrophobicContact CG-CD1 3.89Å; Y337-I387 HydrophobicContact CG-CG2 4.38Å; I387-V389 HydrophobicContact CD1-CG2 4.05Å; I387-V389 HydrophobicContact CG1-CG2 4.26Å; I387-Y403 PolarHBondContact N-O 2.89Å; I387-Y403 PolarHBondContact O-N 2.94Å; I387-M406 HydrophobicContact CD1-CB 4Å; I387-M406 HydrophobicContact CD1-CE 3.98Å; I387-M406 HydrophobicContact CD1-CG 4.16Å; I387-M406 HydrophobicContact CG1-CB 3.84Å; I387-M406 HydrophobicContact CG1-CG 3.96Å; I387-M406 HydrophobicContact CG2-CB 4.15Å; I387-V407 HydrophobicContact CG2-CG2 3.43Å; I387-V407 VanDerWaalsContact CG2-CG2 3.43Å
388	S	91.5	Very high	92	Very high	7 Å²	7	36 Å²	36	5%	0.049	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	141.2	165.1	-65.3	0	0	0	0	110	P334 K401	P334-S388 WeakPolarHBondContact CD-O 3.41Å; S388-K401 CarbonylContact C-O 3.45Å; S388-K401 WeakPolarHBondContact CA-O 3.33Å
389	V	93.1	Very high	92.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.8	172.5	-174.4	0	0	0	0	108.5	F322 I331 A333 I387 Y391 K401 Y403	F322-V389 HydrophobicContact CE2-CG2 4.49Å; I331-V389 HydrophobicContact CG2-CG1 4.24Å; A333-V389 WeakPolarHBondContact O-CA 3.45Å; I387-V389 HydrophobicContact CD1-CG2 4.05Å; I387-V389 HydrophobicContact CG1-CG2 4.26Å; V389-Y391 HydrophobicContact CG1-CD1 4.15Å; V389-K401 PolarHBondContact N-O 3.3Å; V389-K401 PolarHBondContact O-N 3.36Å; V389-Y403 HydrophobicContact CB-CD2 4.2Å; V389-Y403 HydrophobicContact CB-CE2 3.88Å; V389-Y403 HydrophobicContact CG2-CD2 3.78Å; V389-Y403 HydrophobicContact CG2-CE2 3.89Å
390	L	94.1	Very high	92.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.1	175	-176.7	69.1	0	0	0	108.8	M83 V84 Y87 I332 A333 V398 V399 L400	M83-L390 HydrophobicContact CB-CD1 3.94Å; M83-L390 HydrophobicContact CE-CD1 4.37Å; V84-L390 HydrophobicContact CB-CD2 4.41Å; V84-L390 HydrophobicContact CG2-CD2 3.67Å; Y87-L390 HydrophobicContact CD2-CB 4.06Å; Y87-L390 HydrophobicContact CG-CB 4.4Å; I332-L390 WeakPolarHBondContact CA-O 3.16Å; I332-L390 HydrophobicContact CB-CB 4.33Å; I332-L390 HydrophobicContact CB-CD2 3.92Å; I332-L390 HydrophobicContact CB-CG 3.9Å; I332-L390 WeakPolarHBondContact CB-O 3.41Å; I332-L390 HydrophobicContact CD1-CD2 4.35Å; I332-L390 HydrophobicContact CD1-CG 4.13Å; I332-L390 HydrophobicContact CG1-CG 4.49Å; I332-L390 HydrophobicContact CG2-CD2 3.67Å; I332-L390 HydrophobicContact CG2-CG 4.22Å; I332-L390 PolarHBondContact N-O 3.42Å; A333-L390 HydrophobicContact CB-CB 4.23Å; A333-L390 PolarHBondContact N-O 2.79Å; A333-L390 PolarHBondContact O-N 2.87Å; L390-V398 HydrophobicContact CD1-CG1 3.55Å; L390-V398 HydrophobicContact CG-CG1 4.22Å; L390-V399 CarbonylContact C-O 3.42Å; L390-V399 WeakPolarHBondContact CA-O 3.43Å; L390-L400 HydrophobicContact CB-CD1 4.36Å; L390-L400 HydrophobicContact CD1-CB 3.86Å; L390-L400 HydrophobicContact CD1-CD1 4.42Å
391	Y	93.4	Very high	92	Very high	15 Å²	15	26.7 Å²	26.7	6%	0.059	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	162.9	-174.7	67.8	-81.9	0	0	0	112.6	L61 W330 V389 V399 K401	L61-Y391 HydrophobicContact CD1-CE2 4.27Å; L61-Y391 HydrophobicContact CD2-CE2 4.22Å; W330-Y391 AromaticContact CE3-CD2 3.99Å; W330-Y391 HydrophobicContact CE3-CD2 3.99Å; W330-Y391 HydrophobicContact CE3-CG 4.2Å; W330-Y391 AromaticContact CZ3-CD2 3.95Å; W330-Y391 HydrophobicContact CZ3-CD2 3.95Å; W330-Y391 HydrophobicContact CZ3-CG 4.06Å; W330-Y391 CarbonylContact O-C 3.4Å; W330-Y391 WeakPolarHBondContact O-CA 3.26Å; W330-Y391 WeakPolarHBondContact O-CB 3.42Å; V389-Y391 HydrophobicContact CG1-CD1 4.15Å; Y391-V399 HydrophobicContact CD1-CB 4.33Å; Y391-V399 WeakPolarHBondContact CD1-O 3.27Å; Y391-V399 HydrophobicContact CE1-CB 3.9Å; Y391-V399 HydrophobicContact CE1-CG1 3.75Å; Y391-V399 HydrophobicContact CE2-CB 4.14Å; Y391-V399 HydrophobicContact CE2-CG1 4.48Å; Y391-V399 PolarHBondContact N-O 2.92Å; Y391-V399 PolarHBondContact O-N 2.76Å; Y391-K401 HydrophobicContact CE1-CB 4.16Å
392	F	92.6	Very high	91.8	Very high	25 Å²	25	28.9 Å²	28.9	11%	0.11	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	142.6	170.7	-63.9	-78	0	0	0	111.6	P65 P67 F72 W330 I332 N397 V398	P65-F392 WeakPolarHBondContact CB-O 3.44Å; P65-F392 WeakPolarHBondContact CG-O 3.39Å; P67-F392 HydrophobicContact CB-CB 3.69Å; P67-F392 HydrophobicContact CB-CD1 4.47Å; P67-F392 HydrophobicContact CB-CG 4.06Å; P67-F392 HydrophobicContact CG-CB 3.72Å; P67-F392 HydrophobicContact CG-CD2 4.22Å; P67-F392 HydrophobicContact CG-CG 4.07Å; F72-F392 HydrophobicContact CD2-CE1 4.22Å; F72-F392 HydrophobicContact CE1-CE1 4.02Å; F72-F392 AromaticContact CE2-CD1 3.97Å; F72-F392 HydrophobicContact CE2-CD1 3.97Å; F72-F392 AromaticContact CE2-CE1 3.5Å; F72-F392 HydrophobicContact CE2-CE1 3.5Å; F72-F392 HydrophobicContact CE2-CZ 4.31Å; F72-F392 AromaticContact CZ-CD1 3.98Å; F72-F392 HydrophobicContact CZ-CD1 3.98Å; F72-F392 AromaticContact CZ-CE1 3.42Å; F72-F392 HydrophobicContact CZ-CE1 3.42Å; F72-F392 VanDerWaalsContact CZ-CE1 3.42Å; F72-F392 HydrophobicContact CZ-CZ 4.43Å; W330-F392 PolarHBondContact O-N 3.17Å; I332-F392 HydrophobicContact CD1-CD1 4.34Å; I332-F392 HydrophobicContact CD1-CD2 3.84Å; I332-F392 HydrophobicContact CD1-CE1 3.98Å; I332-F392 HydrophobicContact CD1-CE2 3.45Å; I332-F392 VanDerWaalsContact CD1-CE2 3.45Å; I332-F392 HydrophobicContact CD1-CG 4.27Å; I332-F392 HydrophobicContact CD1-CZ 3.52Å; I332-F392 HydrophobicContact CG1-CD2 3.77Å; I332-F392 HydrophobicContact CG1-CE2 3.49Å; I332-F392 VanDerWaalsContact CG1-CE2 3.49Å; I332-F392 HydrophobicContact CG1-CZ 4.09Å; F392-N397 VanDerWaalsContact CA-O 3.29Å; F392-N397 WeakPolarHBondContact CA-O 2.99Å; F392-V398 HydrophobicContact CD1-CG2 3.56Å; F392-V398 HydrophobicContact CE1-CG2 3.32Å; F392-V398 HydrophobicContact CZ-CG2 4.26Å
393	D	91.2	Very high	91.7	Very high	9 Å²	9	26.8 Å²	26.8	5%	0.048	13%	0.131	C	C	.	.			trans	-89.9	-175.7	169.4	76.5	5.6	0	0	0	113.2	D161 H395 S396 N397 V399	D161-D393 WeakPolarHBondContact CB-OD2 3.37Å; D161-D393 VanDerWaalsContact OD2-CG 3.28Å; D393-H395 PolarHBondContact O-N 2.95Å; D393-H395 VanDerWaalsContact OD1-C 3.24Å; D393-H395 WeakPolarHBondContact OD1-CA 3.46Å; D393-H395 PolarHBondContact OD1-N 3.05Å; D393-S396 PolarHBondContact O-N 2.88Å; D393-S396 PolarHBondContact OD1-N 2.62Å; D393-N397 PolarHBondContact N-O 2.84Å; D393-N397 WeakPolarHBondContact OD1-CB 3.35Å; D393-N397 PolarHBondContact OD1-N 3.17Å; D393-N397 PolarHBondContact OD1-ND2 3.25Å; D393-N397 VanDerWaalsContact OD2-CB 3.25Å; D393-N397 WeakPolarHBondContact OD2-CB 3.38Å; D393-N397 PolarHBondContact OD2-ND2 3.33Å; D393-V399 HydrophobicContact CB-CG2 4.42Å
394	D	89	Confident	91.5	Very high	56 Å²	56	24.1 Å²	24.1	30%	0.299	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.1	-179.2	-91.8	-16.5	0	0	0	112.3	R63 P65 H66	R63-D394 IonicContact CZ-OD2 3.46Å; R63-D394 IonicContact NE-OD2 3.21Å; R63-D394 PolarHBondContact NE-OD2 2.85Å; R63-D394 IonicContact NH2-OD2 2.81Å; R63-D394 PolarHBondContact NH2-OD2 2.78Å; P65-D394 WeakPolarHBondContact CA-OD1 3.47Å; H66-D394 PolarHBondContact N-OD1 2.89Å
395	H	88.9	Confident	91.4	Very high	60 Å²	60	25.9 Å²	25.9	28%	0.278	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	14.8	178	-60.6	85.5	0	0	0	112.5	H145 D158 D161 D393 N397	H145-H395 PolarHBondContact CE1-O 2.58Å; H145-H395 VanDerWaalsContact CE1-O 3.28Å; H145-H395 PolarHBondContact NE2-O 3.23Å; D158-H395 IonicContact OD2-CD2 3.56Å; D158-H395 PolarHBondContact OD2-CD2 3.1Å; D158-H395 VanDerWaalsContact OD2-CD2 3.24Å; D161-H395 IonicContact OD1-CE1 3.91Å; D161-H395 PolarHBondContact OD1-CE1 3.41Å; D161-H395 IonicContact OD1-ND1 2.76Å; D161-H395 PolarHBondContact OD1-ND1 3.09Å; D161-H395 IonicContact OD2-CE1 3.18Å; D161-H395 IonicContact OD2-CG 2.74Å; D161-H395 IonicContact OD2-ND1 3.19Å; D161-H395 PolarHBondContact OD2-ND1 2.69Å; D393-H395 PolarHBondContact O-N 2.95Å; D393-H395 VanDerWaalsContact OD1-C 3.24Å; D393-H395 WeakPolarHBondContact OD1-CA 3.46Å; D393-H395 PolarHBondContact OD1-N 3.05Å; H395-N397 PolarHBondContact O-N 2.76Å
396	S	90	Very high	91.4	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	13%	0.133	C	C	.	.	S	Bend	trans	63.4	18.3	-177.7	-66.7	0	0	0	0	115.1	D68 F72 D393	D68-S396 WeakPolarHBondContact CA-OG 3.04Å; D68-S396 PolarHBondContact N-OG 3.06Å; D68-S396 PolarHBondContact O-OG 3.18Å; F72-S396 VanDerWaalsContact CZ-O 3.3Å; F72-S396 WeakPolarHBondContact CZ-O 3.35Å; D393-S396 PolarHBondContact O-N 2.88Å; D393-S396 PolarHBondContact OD1-N 2.62Å
397	N	92.7	Very high	91.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.			trans	-69.7	146.9	166.9	-55.3	-49.4	0	0	0	109.3	S141 F142 P143 D158 F392 D393 H395	S141-N397 VanDerWaalsContact O-CA 3.25Å; S141-N397 WeakPolarHBondContact O-CA 3.4Å; S141-N397 WeakPolarHBondContact O-CB 3.29Å; F142-N397 HydrophobicContact CD1-CB 4.48Å; F142-N397 WeakPolarHBondContact CD1-OD1 3.38Å; P143-N397 WeakPolarHBondContact CD-OD1 3.44Å; D158-N397 PolarHBondContact O-ND2 3.42Å; D158-N397 PolarHBondContact O-OD1 2.77Å; F392-N397 VanDerWaalsContact CA-O 3.29Å; F392-N397 WeakPolarHBondContact CA-O 2.99Å; D393-N397 PolarHBondContact N-O 2.84Å; D393-N397 WeakPolarHBondContact OD1-CB 3.35Å; D393-N397 PolarHBondContact OD1-N 3.17Å; D393-N397 PolarHBondContact OD1-ND2 3.25Å; D393-N397 VanDerWaalsContact OD2-CB 3.25Å; D393-N397 WeakPolarHBondContact OD2-CB 3.38Å; D393-N397 PolarHBondContact OD2-ND2 3.33Å; H395-N397 PolarHBondContact O-N 2.76Å
398	V	93.5	Very high	91.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122	173.2	179.1	0	0	0	0	108.8	F72 L79 M83 S141 I332 L390 F392	F72-V398 HydrophobicContact CZ-CG2 4.37Å; L79-V398 HydrophobicContact CD2-CB 3.64Å; L79-V398 HydrophobicContact CD2-CG2 3.29Å; M83-V398 HydrophobicContact CB-CB 4.47Å; M83-V398 HydrophobicContact CB-CG1 3.63Å; M83-V398 HydrophobicContact CE-CG1 4.38Å; M83-V398 HydrophobicContact CG-CB 4.07Å; M83-V398 HydrophobicContact CG-CG1 3.74Å; S141-V398 PolarHBondContact N-O 3.02Å; S141-V398 PolarHBondContact O-N 2.98Å; S141-V398 VanDerWaalsContact O-N 3.11Å; S141-V398 WeakPolarHBondContact OG-CB 3.33Å; S141-V398 PolarHBondContact OG-O 3.08Å; I332-V398 HydrophobicContact CD1-CG1 3.79Å; I332-V398 HydrophobicContact CD1-CG2 4.23Å; L390-V398 HydrophobicContact CD1-CG1 3.55Å; L390-V398 HydrophobicContact CG-CG1 4.22Å; F392-V398 HydrophobicContact CD1-CG2 3.56Å; F392-V398 HydrophobicContact CE1-CG2 3.32Å; F392-V398 HydrophobicContact CZ-CG2 4.26Å
399	V	93.5	Very high	91.7	Very high	3 Å²	3	29 Å²	29	2%	0.018	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.8	-172.6	-176.4	0	0	0	0	109.4	T138 M140 L390 Y391 D393 K401	T138-V399 HydrophobicContact CG2-CG1 3.74Å; M140-V399 HydrophobicContact CE-CG2 3.87Å; M140-V399 HydrophobicContact CG-CG1 4.13Å; M140-V399 HydrophobicContact CG-CG2 4.15Å; L390-V399 CarbonylContact C-O 3.42Å; L390-V399 WeakPolarHBondContact CA-O 3.43Å; Y391-V399 HydrophobicContact CD1-CB 4.33Å; Y391-V399 WeakPolarHBondContact CD1-O 3.27Å; Y391-V399 HydrophobicContact CE1-CB 3.9Å; Y391-V399 HydrophobicContact CE1-CG1 3.75Å; Y391-V399 HydrophobicContact CE2-CB 4.14Å; Y391-V399 HydrophobicContact CE2-CG1 4.48Å; Y391-V399 PolarHBondContact N-O 2.92Å; Y391-V399 PolarHBondContact O-N 2.76Å; D393-V399 HydrophobicContact CB-CG2 4.42Å; V399-K401 HydrophobicContact CG1-CB 4.3Å
400	L	93.6	Very high	91.7	Very high	9 Å²	9	30.7 Å²	30.7	5%	0.047	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.2	166.9	174.3	60.1	0	0	0	108.3	M83 L86 Y87 T90 T138 V139 L390	M83-L400 HydrophobicContact CE-CB 3.86Å; L86-L400 HydrophobicContact CB-CD2 4.37Å; L86-L400 HydrophobicContact CD2-CD2 3.83Å; L86-L400 HydrophobicContact CG-CD2 3.85Å; Y87-L400 HydrophobicContact CD2-CD1 3.69Å; Y87-L400 HydrophobicContact CG-CD1 4.42Å; T90-L400 HydrophobicContact CG2-CD2 4.09Å; T138-L400 CarbonylContact C-O 3.6Å; T138-L400 WeakPolarHBondContact CA-O 3.49Å; V139-L400 HydrophobicContact CB-CB 4.25Å; V139-L400 PolarHBondContact N-O 3.33Å; V139-L400 PolarHBondContact O-N 3.4Å; L390-L400 HydrophobicContact CB-CD1 4.36Å; L390-L400 HydrophobicContact CD1-CB 3.86Å; L390-L400 HydrophobicContact CD1-CD1 4.42Å
401	K	92	Very high	91.6	Very high	11 Å²	11	31.2 Å²	31.2	5%	0.048	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136	-177	-178.3	159.5	177.6	173.3	0	112.3	T138 S388 V389 Y391 V399 Y403	T138-K401 HydrophobicContact CG2-CB 4.28Å; T138-K401 HydrophobicContact CG2-CD 4.33Å; T138-K401 HydrophobicContact CG2-CG 4.47Å; T138-K401 WeakPolarHBondContact OG1-CD 3.46Å; T138-K401 WeakPolarHBondContact OG1-CG 3.46Å; S388-K401 CarbonylContact C-O 3.45Å; S388-K401 WeakPolarHBondContact CA-O 3.33Å; V389-K401 PolarHBondContact N-O 3.3Å; V389-K401 PolarHBondContact O-N 3.36Å; Y391-K401 HydrophobicContact CE1-CB 4.16Å; V399-K401 HydrophobicContact CG1-CB 4.3Å; K401-Y403 HydrophobicContact CB-CE2 3.87Å; K401-Y403 HydrophobicContact CD-CE1 4.01Å; K401-Y403 HydrophobicContact CD-CE2 4.26Å; K401-Y403 HydrophobicContact CG-CD2 4.33Å; K401-Y403 HydrophobicContact CG-CE1 4.19Å; K401-Y403 HydrophobicContact CG-CE2 3.77Å
402	K	89.9	Confident	91.6	Very high	87 Å²	87	30.5 Å²	30.5	38%	0.378	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.9	173.6	-168.7	174.2	-173.9	169.8	0	110.6	D137 S386	D137-K402 PolarHBondContact O-N 2.93Å; S386-K402 WeakPolarHBondContact OG-CE 3.36Å
403	Y	90	Very high	91.7	Very high	13 Å²	13	29.3 Å²	29.3	5%	0.051	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	110.2	176.2	-65.4	-83.6	0	0	0	109.7	L59 S386 I387 V389 K401 M406	L59-Y403 HydrophobicContact CB-CE1 4.37Å; L59-Y403 HydrophobicContact CD2-CD1 4.31Å; L59-Y403 HydrophobicContact CD2-CD2 4.15Å; L59-Y403 HydrophobicContact CD2-CE1 3.93Å; L59-Y403 HydrophobicContact CD2-CE2 3.74Å; L59-Y403 HydrophobicContact CD2-CG 4.39Å; L59-Y403 PolarHBondContact O-OH 3.28Å; S386-Y403 CarbonylContact C-O 3.55Å; S386-Y403 WeakPolarHBondContact CA-O 3.46Å; S386-Y403 WeakPolarHBondContact CB-O 3.23Å; I387-Y403 PolarHBondContact N-O 2.89Å; I387-Y403 PolarHBondContact O-N 2.94Å; V389-Y403 HydrophobicContact CB-CD2 4.2Å; V389-Y403 HydrophobicContact CB-CE2 3.88Å; V389-Y403 HydrophobicContact CG2-CD2 3.78Å; V389-Y403 HydrophobicContact CG2-CE2 3.89Å; K401-Y403 HydrophobicContact CB-CE2 3.87Å; K401-Y403 HydrophobicContact CD-CE1 4.01Å; K401-Y403 HydrophobicContact CD-CE2 4.26Å; K401-Y403 HydrophobicContact CG-CD2 4.33Å; K401-Y403 HydrophobicContact CG-CE1 4.19Å; K401-Y403 HydrophobicContact CG-CE2 3.77Å; Y403-M406 WeakPolarHBondContact O-CG 2.96Å
404	N	88.8	Confident	91.7	Very high	81 Å²	81	33.1 Å²	33.1	43%	0.433	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	156.9	178.4	-65.9	-31.6	0	0	0	111.6	M406	N404-M406 VanDerWaalsContact C-N 3.29Å; N404-M406 PolarHBondContact O-N 3.11Å
405	N	90.4	Very high	91.8	Very high	104 Å²	104	32 Å²	32	56%	0.556	16%	0.16	S	C	*	.	E	Extended strand (participates in β ladder)	trans	62.5	27.7	170.8	-60.2	-40.3	0	0	0	115.7	L384 S385	L384-N405 HydrophobicContact CB-CB 4.14Å; L384-N405 WeakPolarHBondContact CB-OD1 3.25Å; L384-N405 HydrophobicContact CD1-CB 3.7Å; S385-N405 CarbonylContact O-C 3.57Å; S385-N405 PolarHBondContact O-N 3.48Å
406	M	91.2	Very high	91.9	Very high	42 Å²	42	30.5 Å²	30.5	21%	0.207	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-21.9	-176.6	-70.3	-64.1	-74.8	0	0	113.8	Y337 S385 I387 Y403 N404	Y337-M406 HydrophobicContact CE1-CE 4.37Å; Y337-M406 HydrophobicContact CE2-CB 4.36Å; Y337-M406 WeakPolarHBondContact CE2-O 3.48Å; Y337-M406 WeakPolarHBondContact OH-CE 3.3Å; S385-M406 PolarHBondContact O-N 2.76Å; I387-M406 HydrophobicContact CD1-CB 4Å; I387-M406 HydrophobicContact CD1-CE 3.98Å; I387-M406 HydrophobicContact CD1-CG 4.16Å; I387-M406 HydrophobicContact CG1-CB 3.84Å; I387-M406 HydrophobicContact CG1-CG 3.96Å; I387-M406 HydrophobicContact CG2-CB 4.15Å; Y403-M406 WeakPolarHBondContact O-CG 2.96Å; N404-M406 VanDerWaalsContact C-N 3.29Å; N404-M406 PolarHBondContact O-N 3.11Å
407	V	92.9	Very high	92	Very high	13 Å²	13	32.1 Å²	32.1	8%	0.079	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.3	-174.1	170.6	0	0	0	0	111	Y337 A339 Y340 L384 S385 I387 K409	Y337-V407 HydrophobicContact CD2-CG2 3.81Å; Y337-V407 HydrophobicContact CE2-CG2 4.18Å; A339-V407 WeakPolarHBondContact O-CA 3.43Å; Y340-V407 HydrophobicContact CD2-CG1 3.95Å; Y340-V407 HydrophobicContact CE2-CG1 4.2Å; L384-V407 CarbonylContact C-O 3.48Å; L384-V407 WeakPolarHBondContact CA-O 3.26Å; S385-V407 PolarHBondContact N-O 2.97Å; S385-V407 PolarHBondContact O-N 3.37Å; S385-V407 VanDerWaalsContact O-N 3.1Å; S385-V407 WeakPolarHBondContact OG-CB 3.4Å; I387-V407 HydrophobicContact CG2-CG2 3.43Å; I387-V407 VanDerWaalsContact CG2-CG2 3.43Å; V407-K409 PolarHBondContact O-N 2.85Å
408	V	93.7	Very high	92	Very high	16 Å²	16	34 Å²	34	10%	0.097	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	116.3	174	-179.9	0	0	0	0	110.4	R315 A339 C342 A381 L384	R315-V408 WeakPolarHBondContact CD-O 3.34Å; R315-V408 HydrophobicContact CG-CG1 4.3Å; R315-V408 PolarHBondContact NH1-O 3.36Å; R315-V408 VanDerWaalsContact NH1-O 3.09Å; A339-V408 PolarHBondContact O-N 3.32Å; C342-V408 VanDerWaalsContact SG-CG1 3.6Å; A381-V408 HydrophobicContact CB-CG1 3.94Å; A381-V408 HydrophobicContact CB-CG2 4Å; L384-V408 HydrophobicContact CD2-CB 4.47Å; L384-V408 HydrophobicContact CD2-CG2 3.92Å
409	K	91.6	Very high	91.9	Very high	65 Å²	65	36.1 Å²	36.1	28%	0.283	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-39.4	174.6	-71.5	-76.7	-180	169.7	0	112	V97 K383 S385 V407	V97-K409 VanDerWaalsContact CG2-NZ 3.3Å; K383-K409 HydrophobicContact CB-CB 4.14Å; K383-K409 HydrophobicContact CD-CB 4.29Å; K383-K409 HydrophobicContact CG-CB 4.12Å; K383-K409 PolarHBondContact O-N 3.34Å; S385-K409 WeakPolarHBondContact OG-CE 2.92Å; V407-K409 PolarHBondContact O-N 2.85Å
410	S	92.2	Very high	91.8	Very high	34 Å²	34	38.3 Å²	38.3	24%	0.238	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.4	177.7	57.6	0	0	0	0	112.5	A381 T382 K383	A381-S410 WeakPolarHBondContact CA-O 3.39Å; T382-S410 PolarHBondContact N-O 2.92Å; T382-S410 PolarHBondContact OG1-O 3.1Å; T382-S410 PolarHBondContact OG1-OG 3.39Å; K383-S410 WeakPolarHBondContact CB-OG 2.77Å; K383-S410 PolarHBondContact N-OG 2.97Å; K383-S410 PolarHBondContact O-N 2.85Å
411	C	93.3	Very high	91.7	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.074	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	161.5	177	-61.7	0	0	0	0	111	R315 C342 N355 A380	R315-C411 WeakPolarHBondContact CA-SG 3.5Å; C342-C411 WeakPolarHBondContact CA-SG 3.39Å; C342-C411 HydrophobicContact CB-CB 3.77Å; C342-C411 WeakPolarHBondContact CB-SG 3.37Å; C342-C411 VanDerWaalsContact SG-CA 3.51Å; C342-C411 WeakPolarHBondContact SG-CB 3.49Å; C342-C411 CovalentContact SG-SG 2.03Å; C342-C411 PolarHBondContact SG-SG 3.36Å; N355-C411 PolarHBondContact ND2-O 3.31Å; A380-C411 CarbonylContact O-C 3.44Å; A380-C411 WeakPolarHBondContact O-CA 3.07Å
412	G	93	Very high	91.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	173.2	175.7	0	0	0	0	0	113.5	M354 C379 A380	M354-G412 CarbonylContact O-C 3.57Å; M354-G412 WeakPolarHBondContact O-CA 3.47Å; C379-G412 WeakPolarHBondContact CA-O 3.49Å; A380-G412 PolarHBondContact N-O 2.8Å; A380-G412 PolarHBondContact O-N 3.02Å
413	C	93.5	Very high	91.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.3	-176.8	-65.5	0	0	0	0	111.2	C346 M354 A356 T357 A360 P377	C346-C413 HydrophobicContact CB-CB 3.78Å; C346-C413 WeakPolarHBondContact CB-SG 3.49Å; C346-C413 VanDerWaalsContact SG-CA 3.54Å; C346-C413 WeakPolarHBondContact SG-CB 3.42Å; C346-C413 CovalentContact SG-SG 2.03Å; C346-C413 PolarHBondContact SG-SG 2.84Å; M354-C413 PolarHBondContact O-N 2.91Å; A356-C413 HydrophobicContact CB-CB 4.14Å; T357-C413 PolarHBondContact N-O 3.32Å; A360-C413 HydrophobicContact CB-CB 4.26Å; A360-C413 WeakPolarHBondContact CB-O 3.38Å; P377-C413 HydrophobicContact CB-CB 4.49Å
414	H	91.1	Very high	92	Very high	89 Å²	89	41.4 Å²	41.4	41%	0.412	22%	0.216	S	C	.	.			trans	-123	0	-176	-72.8	-90	0	0	0	113.1	T357 H359 P377 F378 T382	T357-H414 WeakPolarHBondContact CG2-CE1 3.37Å; T357-H414 VanDerWaalsContact CG2-ND1 3.26Å; T357-H414 WeakPolarHBondContact CG2-ND1 3.25Å; H359-H414 PolarHBondContact ND1-OXT 3.11Å; P377-H414 WeakPolarHBondContact CB-O 3.45Å; F378-H414 PolarHBondContact N-O 3.25Å; F378-H414 PolarHBondContact O-N 3.23Å; F378-H414 VanDerWaalsContact O-N 3.11Å; T382-H414 WeakPolarHBondContact CG2-NE2 3.45Å

Retrieved 414 of 414 residues in 592.1 ms (Link to these results)

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