A0A087XTF1_POEFO Loading...

Negative regulator of reactive oxygen species

AlphaFold DB , UniProt , Accession A0A087XTF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 685 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	31.7	Very low	35.8	Very low	214 Å²	214	144.5 Å²	144.5	100%	1.054	80%	0.795	S	S	*	*				0	134.8	0	-56.1	-173.5	87.8	0	0	108.4	D3	M1-D3 WeakPolarHBondContact CA-OD2 3.48Å; M1-D3 WeakPolarHBondContact CB-OD2 3.21Å; M1-D3 WeakPolarHBondContact CG-OD2 3.48Å
2	P	53.8	Low	35.1	Very low	123 Å²	123	140.9 Å²	140.9	80%	0.799	79%	0.786	S	S	*	*			cis	-69.3	158.9	-16.5	34.4	-33.7	0	0	0	109.6
3	D	35.5	Very low	34.5	Very low	114 Å²	114	141.1 Å²	141.1	61%	0.61	78%	0.784	S	S	*	*			cis	74.8	138.4	28.9	-50.2	-63.2	0	0	0	111.4	M1	M1-D3 WeakPolarHBondContact CA-OD2 3.48Å; M1-D3 WeakPolarHBondContact CB-OD2 3.21Å; M1-D3 WeakPolarHBondContact CG-OD2 3.48Å
4	Q	35.6	Very low	34.2	Very low	189 Å²	189	142 Å²	142	88%	0.883	79%	0.785	S	S	*	*			cis	-134.3	169.1	22.2	-59.5	159.3	-16.8	0	0	110.4
5	G	30.4	Very low	33.9	Very low	71 Å²	71	138.6 Å²	138.6	73%	0.732	78%	0.783	S	S	*	*			cis	117.8	101.8	-2.4	0	0	0	0	0	114
6	L	28.7	Very low	33.7	Very low	172 Å²	172	141.7 Å²	141.7	90%	0.901	79%	0.792	S	S	*	*			trans	-156	131.7	169	-113.4	170.3	0	0	0	112.9
7	I	34.4	Very low	33.5	Very low	159 Å²	159	146.5 Å²	146.5	82%	0.815	80%	0.795	S	S	*	*			trans	-164.7	-169.8	-178.6	3.3	171.3	0	0	0	107
8	P	54.2	Low	33.4	Very low	99 Å²	99	149.7 Å²	149.7	64%	0.643	79%	0.794	S	S	*	*			cis	-132	169.7	-41.2	36.9	-21.7	0	0	0	114.5
9	V	29.8	Very low	33.6	Very low	144 Å²	144	148.9 Å²	148.9	87%	0.873	79%	0.789	S	S	*	*			trans	-154.1	131	151.6	-175.1	0	0	0	0	107.8
10	L	29.4	Very low	33.5	Very low	124 Å²	124	149.7 Å²	149.7	65%	0.649	79%	0.792	S	S	*	*			cis	91.8	91.1	-2.5	-160.5	74.2	0	0	0	119.8
11	F	30.3	Very low	33.6	Very low	180 Å²	180	148.4 Å²	148.4	79%	0.789	79%	0.79	S	S	*	*				174.3	148.9	119.9	-102.1	-60	0	0	0	116
12	C	27.7	Very low	33.8	Very low	102 Å²	102	144.1 Å²	144.1	69%	0.689	78%	0.778	S	S	*	*			trans	52.4	160.6	146.3	-72.1	0	0	0	0	123.6
13	L	26.5	Very low	33.1	Very low	143 Å²	143	144.2 Å²	144.2	75%	0.749	78%	0.776	S	S	*	*			cis	-172.2	134.1	-44.9	-112.3	179.4	0	0	0	108.7
14	L	30.3	Very low	32.9	Very low	154 Å²	154	143.6 Å²	143.6	81%	0.806	78%	0.781	S	S	*	*			trans	43.3	118.6	154.3	-70.2	171.3	0	0	0	123.7
15	A	30.5	Very low	32.8	Very low	91 Å²	91	139.4 Å²	139.4	75%	0.752	77%	0.772	S	S	*	*				78	127.7	121.6	0	0	0	0	0	123.3
16	M	29.7	Very low	32.9	Very low	188 Å²	188	143.5 Å²	143.5	93%	0.926	77%	0.772	S	S	*	*				-156.8	149.5	129.9	-105	-67	-99.6	0	0	110.1
17	W	31.1	Very low	33.1	Very low	224 Å²	224	140.6 Å²	140.6	85%	0.848	76%	0.764	S	S	*	*			trans	-94.8	144.3	-176.1	-76.3	-19.1	0	0	0	113.4
18	R	30.9	Very low	33.5	Very low	203 Å²	203	141 Å²	141	77%	0.766	76%	0.762	S	S	*	*				173.6	128.9	96	-91.5	-165.7	177.9	-148.5	-2.1	114.7
19	I	38.5	Very low	33.1	Very low	136 Å²	136	146.7 Å²	146.7	70%	0.697	77%	0.772	S	S	*	*			trans	40.3	112.3	134.3	-49.1	170.6	0	0	0	118.7
20	L	30.1	Very low	34.4	Very low	164 Å²	164	143.8 Å²	143.8	86%	0.859	76%	0.759	S	S	*	*				-160.9	143.6	117	-105.1	167.5	0	0	0	109.7
21	T	37.6	Very low	36.5	Very low	122 Å²	122	141.5 Å²	141.5	75%	0.748	75%	0.751	S	S	*	*			trans	-94	160.6	172.2	54.2	0	0	0	0	109.9
22	P	34.9	Very low	39.3	Very low	125 Å²	125	133.1 Å²	133.1	81%	0.812	72%	0.715	S	S	*	*				-133	152.6	94.1	36.9	-27.9	0	0	0	115.1	S24	P22-S24 PolarHBondContact O-N 3.37Å
23	V	39.4	Very low	42.3	Very low	125 Å²	125	135.1 Å²	135.1	76%	0.758	71%	0.712	S	S	*	*			trans	-26.3	113.4	166.2	-177.8	0	0	0	0	114.9
24	S	31.9	Very low	45.4	Very low	101 Å²	101	132.9 Å²	132.9	71%	0.706	70%	0.7	S	S	*	*			trans	-92.1	87.8	155.8	51.7	0	0	0	0	109.4	P22 H26	P22-S24 PolarHBondContact O-N 3.37Å; S24-H26 PolarHBondContact O-N 2.88Å
25	S	32.8	Very low	48.3	Very low	100 Å²	100	128.5 Å²	128.5	70%	0.699	68%	0.679	S	S	*	*			trans	-68.6	90.7	177.3	53.8	0	0	0	0	110.7
26	H	31.3	Very low	51.1	Low	158 Å²	158	133.6 Å²	133.6	73%	0.731	69%	0.688	S	S	*	*			trans	-60.3	127.9	163.2	-80.2	22.5	0	0	0	108.7	S24 Q28	S24-H26 PolarHBondContact O-N 2.88Å; H26-Q28 PolarHBondContact O-N 2.93Å
27	P	33.8	Very low	54.2	Low	111 Å²	111	128.8 Å²	128.8	72%	0.721	66%	0.662	S	S	*	*			trans	-69.2	96.7	169.7	28.9	-32.1	0	0	0	108.2	Y29	P27-Y29 PolarHBondContact O-N 3.05Å
28	Q	42.5	Very low	57.3	Low	167 Å²	167	118.8 Å²	118.8	78%	0.78	63%	0.626	S	S	*	*			trans	-61.4	104.8	161.5	-75.6	-169.8	-39.9	0	0	107.2	H26 S30	H26-Q28 PolarHBondContact O-N 2.93Å; Q28-S30 PolarHBondContact O-N 2.98Å
29	Y	45.8	Very low	60.4	Low	218 Å²	218	109.1 Å²	109.1	86%	0.855	59%	0.59	S	S	*	*			trans	-54.5	114.3	164.8	-88	-99.7	0	0	0	107.5	P27	P27-Y29 PolarHBondContact O-N 3.05Å
30	S	56.7	Low	63.1	Low	84 Å²	84	105 Å²	105	59%	0.587	57%	0.569	S	S	*	*			trans	-66.2	128.2	174.5	51.5	0	0	0	0	108.2	Q28 C32	Q28-S30 PolarHBondContact O-N 2.98Å; S30-C32 WeakPolarHBondContact CB-O 3.41Å; S30-C32 PolarHBondContact O-N 3.47Å; S30-C32 PolarHBondContact OG-O 2.78Å
31	P	74.3	Confident	66.2	Low	75 Å²	75	97.2 Å²	97.2	49%	0.487	53%	0.528	S	S	.	.	S	Bend	trans	-65.5	-9.1	175.6	27.4	-34.8	0	0	0	112.4	L46	P31-L46 HydrophobicContact CB-CD2 4.12Å; P31-L46 HydrophobicContact CG-CD2 3.82Å
32	C	88.4	Confident	68.9	Low	4 Å²	4	93.8 Å²	93.8	3%	0.027	51%	0.505	C	S	.	.	S	Bend	trans	-102.8	135.7	168.7	-56.6	0	0	0	0	111.3	S30 L40 C41 L53	S30-C32 WeakPolarHBondContact CB-O 3.41Å; S30-C32 PolarHBondContact O-N 3.47Å; S30-C32 PolarHBondContact OG-O 2.78Å; C32-L40 CarbonylContact C-O 3.56Å; C32-L40 WeakPolarHBondContact CA-O 3.3Å; C32-C41 HydrophobicContact CB-CB 4.03Å; C32-C41 WeakPolarHBondContact CB-SG 3.47Å; C32-C41 WeakPolarHBondContact SG-CB 3.06Å; C32-C41 CovalentContact SG-SG 2.03Å; C32-C41 PolarHBondContact SG-SG 3.05Å; C32-L53 HydrophobicContact CB-CD2 3.98Å
33	K	91.4	Very high	71.7	Confident	144 Å²	144	93.4 Å²	93.4	63%	0.626	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.8	162.5	179	-175.1	176.5	-174.9	0	109.1	V35 L40	K33-V35 HydrophobicContact CD-CG2 4.26Å; K33-V35 HydrophobicContact CG-CG2 4.11Å; K33-L40 HydrophobicContact CB-CB 4.37Å; K33-L40 PolarHBondContact N-O 2.99Å; K33-L40 WeakPolarHBondContact O-CB 3.01Å; K33-L40 PolarHBondContact O-N 2.03Å
34	L	91.9	Very high	74.1	Confident	97 Å²	97	88.8 Å²	88.8	51%	0.508	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.9	173	-67.2	172.7	0	0	0	110.4	A39 L53 L57	L34-A39 HydrophobicContact CD2-CB 3.87Å; L34-L53 HydrophobicContact CD2-CD2 4.34Å; L34-L57 HydrophobicContact CD2-CD2 4.2Å
35	V	90.7	Very high	76.9	Confident	61 Å²	61	87.9 Å²	87.9	37%	0.37	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	106.7	176	-176.7	0	0	0	0	108.3	K33 K37 A38 L40	K33-V35 HydrophobicContact CD-CG2 4.26Å; K33-V35 HydrophobicContact CG-CG2 4.11Å; V35-K37 PolarHBondContact O-N 2.63Å; V35-A38 PolarHBondContact N-O 3.17Å; V35-A38 WeakPolarHBondContact O-CB 3.46Å; V35-A38 PolarHBondContact O-N 3.25Å; V35-L40 HydrophobicContact CG2-CD1 3.85Å
36	Q	90.3	Very high	79.9	Confident	198 Å²	198	84.4 Å²	84.4	93%	0.925	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	-110.1	-174	-55.1	179.3	5.9	0	0	111.8
37	K	94.3	Very high	82.9	Confident	88 Å²	88	81.2 Å²	81.2	38%	0.383	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	12.9	175.3	-58.4	177.3	-173.3	171	0	113.5	V35 L57 E58 E59	V35-K37 PolarHBondContact O-N 2.63Å; K37-L57 WeakPolarHBondContact O-CA 3.49Å; K37-L57 WeakPolarHBondContact O-CD2 3.37Å; K37-E58 HydrophobicContact CB-CB 4.25Å; K37-E58 HydrophobicContact CD-CB 4.41Å; K37-E58 HydrophobicContact CD-CG 4.01Å; K37-E58 WeakPolarHBondContact CD-OE2 3.33Å; K37-E58 IonicContact NZ-OE1 3.48Å; K37-E58 PolarHBondContact NZ-OE1 3.23Å; K37-E58 IonicContact NZ-OE2 2.6Å; K37-E58 PolarHBondContact NZ-OE2 3.28Å; K37-E58 PolarHBondContact O-N 3.48Å; K37-E59 PolarHBondContact O-N 3.01Å
38	A	96.1	Very high	85.8	Confident	13 Å²	13	79.1 Å²	79.1	11%	0.107	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	139.2	175	0	0	0	0	0	111.2	V35 E59	V35-A38 PolarHBondContact N-O 3.17Å; V35-A38 WeakPolarHBondContact O-CB 3.46Å; V35-A38 PolarHBondContact O-N 3.25Å; A38-E59 CarbonylContact C-O 3.45Å; A38-E59 WeakPolarHBondContact CA-O 3.4Å; A38-E59 HydrophobicContact CB-CB 3.92Å; A38-E59 HydrophobicContact CB-CG 4.3Å
39	A	95.4	Very high	88.3	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.8	171.6	0	0	0	0	0	110.5	L34 L53 L57 E59 L60 Q61	L34-A39 HydrophobicContact CD2-CB 3.87Å; A39-L53 HydrophobicContact CB-CD1 3.86Å; A39-L57 HydrophobicContact CB-CD1 3.69Å; A39-L57 HydrophobicContact CB-CD2 3.9Å; A39-L57 HydrophobicContact CB-CG 4.47Å; A39-E59 PolarHBondContact N-O 3.38Å; A39-L60 HydrophobicContact CB-CD1 3.83Å; A39-Q61 PolarHBondContact O-N 2.82Å
40	L	95.7	Very high	90.5	Very high	50 Å²	50	62.3 Å²	62.3	26%	0.262	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	94.3	-177	-50.2	177.9	0	0	0	109.3	C32 K33 V35 Q61	C32-L40 CarbonylContact C-O 3.56Å; C32-L40 WeakPolarHBondContact CA-O 3.3Å; K33-L40 HydrophobicContact CB-CB 4.37Å; K33-L40 PolarHBondContact N-O 2.99Å; K33-L40 WeakPolarHBondContact O-CB 3.01Å; K33-L40 PolarHBondContact O-N 2.03Å; V35-L40 HydrophobicContact CG2-CD1 3.85Å; L40-Q61 HydrophobicContact CD2-CB 4.42Å; L40-Q61 VanDerWaalsContact CD2-CD 3.44Å; L40-Q61 HydrophobicContact CD2-CG 3.92Å
41	C	95.3	Very high	91.8	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.361	C	S	.	.			trans	-112	20.9	-174.7	-48.8	0	0	0	0	113.1	C32 L46 Q61 L62 N65	C32-C41 HydrophobicContact CB-CB 4.03Å; C32-C41 WeakPolarHBondContact CB-SG 3.47Å; C32-C41 WeakPolarHBondContact SG-CB 3.06Å; C32-C41 CovalentContact SG-SG 2.03Å; C32-C41 PolarHBondContact SG-SG 3.05Å; C41-L46 HydrophobicContact CB-CD1 3.85Å; C41-Q61 CarbonylContact C-O 3.44Å; C41-Q61 VanDerWaalsContact CA-O 3.29Å; C41-Q61 WeakPolarHBondContact CA-O 3.43Å; C41-Q61 WeakPolarHBondContact CB-O 3.3Å; C41-Q61 PolarHBondContact N-O 2.88Å; C41-L62 HydrophobicContact CB-CD2 3.68Å; C41-N65 PolarHBondContact O-ND2 2.82Å
42	N	94.4	Very high	92.1	Very high	50 Å²	50	72.3 Å²	72.3	27%	0.267	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	148.6	-177	-54.5	-44	0	0	0	112.1	G44 Q61 L62 N63	N42-G44 PolarHBondContact O-N 2.99Å; N42-Q61 PolarHBondContact ND2-OE1 2.88Å; N42-Q61 WeakPolarHBondContact OD1-CB 3.38Å; N42-L62 PolarHBondContact OD1-N 3.39Å; N42-N63 CarbonylContact C-O 3.05Å; N42-N63 WeakPolarHBondContact CA-O 3.47Å; N42-N63 WeakPolarHBondContact OD1-CB 3.42Å; N42-N63 PolarHBondContact OD1-N 3.13Å; N42-N63 PolarHBondContact OD1-ND2 3.48Å
43	N	93.4	Very high	92	Very high	118 Å²	118	73.7 Å²	73.7	63%	0.631	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	18	179.5	-56.9	-71.5	0	0	0	115.3	S45 N63 Y64	N43-S45 VanDerWaalsContact C-N 3.29Å; N43-S45 PolarHBondContact O-N 3.26Å; N43-N63 PolarHBondContact N-O 3.13Å; N43-Y64 VanDerWaalsContact CA-O 3.31Å; N43-Y64 WeakPolarHBondContact CA-O 3.45Å; N43-Y64 PolarHBondContact N-O 2.84Å; N43-Y64 VanDerWaalsContact OD1-CB 3.24Å; N43-Y64 WeakPolarHBondContact OD1-CB 3.44Å
44	G	88.8	Confident	91.7	Very high	27 Å²	27	69.6 Å²	69.6	28%	0.278	37%	0.374	S	S	.	.	S	Bend	trans	-79.5	0.5	-176.1	0	0	0	0	0	115.8	N42 L46 N65	N42-G44 PolarHBondContact O-N 2.99Å; G44-L46 PolarHBondContact O-N 2.96Å; G44-N65 VanDerWaalsContact C-OD1 3.29Å; G44-N65 VanDerWaalsContact CA-OD1 3.3Å; G44-N65 WeakPolarHBondContact CA-OD1 3.37Å; G44-N65 PolarHBondContact N-OD1 2.96Å
45	S	92.3	Very high	91.2	Very high	82 Å²	82	66.8 Å²	66.8	57%	0.573	37%	0.369	S	S	*	.			trans	52.5	30.6	-169.3	-57	0	0	0	0	113.9	N43 N65	N43-S45 VanDerWaalsContact C-N 3.29Å; N43-S45 PolarHBondContact O-N 3.26Å; S45-N65 PolarHBondContact N-OD1 3.47Å
46	L	94.6	Very high	91.2	Very high	27 Å²	27	68 Å²	68	14%	0.141	37%	0.373	C	S	.	.			trans	-71.9	130	-176	-60.8	173.5	0	0	0	111.3	P31 C41 G44 P50 L62 N65 Q66 I67	P31-L46 HydrophobicContact CB-CD2 4.12Å; P31-L46 HydrophobicContact CG-CD2 3.82Å; C41-L46 HydrophobicContact CB-CD1 3.85Å; G44-L46 PolarHBondContact O-N 2.96Å; L46-P50 HydrophobicContact CD1-CG 3.84Å; L46-L62 HydrophobicContact CD1-CD2 3.77Å; L46-N65 HydrophobicContact CB-CB 4.11Å; L46-N65 WeakPolarHBondContact CB-OD1 3.38Å; L46-N65 WeakPolarHBondContact CG-OD1 3.31Å; L46-N65 PolarHBondContact N-OD1 3.34Å; L46-Q66 CarbonylContact O-C 3.33Å; L46-Q66 WeakPolarHBondContact O-CA 3.35Å; L46-Q66 PolarHBondContact O-N 2.95Å; L46-I67 WeakPolarHBondContact O-CG1 3.34Å; L46-I67 PolarHBondContact O-N 2.58Å
47	S	94.7	Very high	91.4	Very high	91 Å²	91	58.6 Å²	58.6	64%	0.636	33%	0.329	S	S	*	.	S	Bend	trans	-90.2	-10.8	173.7	54	0	0	0	0	113.8
48	S	94.7	Very high	91.5	Very high	67 Å²	67	57.7 Å²	57.7	47%	0.469	33%	0.326	S	S	.	.	S	Bend	trans	-150.2	166.1	179.5	62.7	0	0	0	0	111.9
49	V	94.6	Very high	91.6	Very high	8 Å²	8	60 Å²	60	5%	0.048	34%	0.335	C	S	.	.			trans	-66.5	128.5	172.1	-179	0	0	0	0	109.6	L60 L62 I67 L70 S74 F75 Y78	V49-L60 HydrophobicContact CG1-CD2 4.09Å; V49-L62 HydrophobicContact CG1-CD1 4.29Å; V49-L62 HydrophobicContact CG2-CD1 4.02Å; V49-I67 HydrophobicContact CG2-CD1 4.49Å; V49-L70 HydrophobicContact CG2-CD2 3.73Å; V49-S74 WeakPolarHBondContact CG1-O 3.24Å; V49-F75 HydrophobicContact CB-CE1 4.49Å; V49-F75 HydrophobicContact CG1-CD1 4.19Å; V49-F75 HydrophobicContact CG1-CE1 3.96Å; V49-F75 HydrophobicContact CG2-CE1 3.77Å; V49-F75 HydrophobicContact CG2-CZ 4.08Å; V49-Y78 HydrophobicContact CG1-CE2 4.27Å
50	P	91.9	Very high	91.6	Very high	24 Å²	24	60 Å²	60	16%	0.156	34%	0.335	C	S	.	.			trans	-63.5	133.9	-179.2	-24.5	35	0	0	0	113.4	L46 L53 L62 Y78	L46-P50 HydrophobicContact CD1-CG 3.84Å; P50-L53 HydrophobicContact CB-CD1 4.07Å; P50-L53 HydrophobicContact CB-CD2 4.5Å; P50-L53 HydrophobicContact CB-CG 4.1Å; P50-L53 HydrophobicContact CG-CD1 4.43Å; P50-L62 HydrophobicContact CG-CD2 4.4Å; P50-Y78 WeakPolarHBondContact O-CE2 3.48Å; P50-Y78 PolarHBondContact O-OH 3.01Å
51	E	85.1	Confident	91.7	Very high	147 Å²	147	59.8 Å²	59.8	69%	0.687	33%	0.333	S	S	*	.	S	Bend	trans	-87	-14.6	-176.7	-59.3	-174.2	157.7	0	0	115.4	R77	E51-R77 VanDerWaalsContact O-CD 3.3Å; E51-R77 WeakPolarHBondContact O-CD 3.01Å
52	R	80.6	Confident	91.8	Very high	223 Å²	223	59.8 Å²	59.8	84%	0.842	33%	0.333	S	S	*	.	S	Bend	trans	-107.3	20.7	-165.9	-63.2	-173.3	179.9	-179.4	0.1	114.5
53	L	86.4	Confident	92	Very high	32 Å²	32	58.4 Å²	58.4	17%	0.168	33%	0.325	C	S	.	.	S	Bend	trans	-88.2	172.4	176.6	-48.2	173.6	0	0	0	110.6	C32 L34 A39 P50 L57 L60 Y78	C32-L53 HydrophobicContact CB-CD2 3.98Å; L34-L53 HydrophobicContact CD2-CD2 4.34Å; A39-L53 HydrophobicContact CB-CD1 3.86Å; P50-L53 HydrophobicContact CB-CD1 4.07Å; P50-L53 HydrophobicContact CB-CD2 4.5Å; P50-L53 HydrophobicContact CB-CG 4.1Å; P50-L53 HydrophobicContact CG-CD1 4.43Å; L53-L57 HydrophobicContact CB-CD1 3.71Å; L53-L57 HydrophobicContact CD1-CD1 4.02Å; L53-L60 HydrophobicContact CD1-CD1 3.96Å; L53-Y78 HydrophobicContact CB-CE1 3.88Å; L53-Y78 WeakPolarHBondContact CB-OH 3.37Å; L53-Y78 PolarHBondContact N-OH 3.19Å
54	S	83.8	Confident	92.2	Very high	58 Å²	58	59.4 Å²	59.4	41%	0.406	32%	0.321	S	S	.	.			trans	-70	144.4	179.5	-164.8	0	0	0	0	111.9	N56 L57 Y78	S54-N56 VanDerWaalsContact C-N 3.28Å; S54-N56 WeakPolarHBondContact CB-OD1 3.36Å; S54-N56 PolarHBondContact O-N 3.36Å; S54-N56 PolarHBondContact OG-OD1 2.85Å; S54-L57 WeakPolarHBondContact O-CG 3.41Å; S54-Y78 WeakPolarHBondContact O-CD1 3.18Å; S54-Y78 WeakPolarHBondContact O-CE1 3.43Å
55	G	81.9	Confident	92.6	Very high	38 Å²	38	58.6 Å²	58.6	39%	0.392	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.8	-179.8	0	0	0	0	0	115	R77	G55-R77 VanDerWaalsContact CA-O 3.32Å; G55-R77 WeakPolarHBondContact CA-O 3.31Å
56	N	90.6	Very high	92.8	Very high	86 Å²	86	60.3 Å²	60.3	46%	0.46	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	25.8	179.4	73.3	-30.8	0	0	0	113.5	S54	S54-N56 VanDerWaalsContact C-N 3.28Å; S54-N56 WeakPolarHBondContact CB-OD1 3.36Å; S54-N56 PolarHBondContact O-N 3.36Å; S54-N56 PolarHBondContact OG-OD1 2.85Å
57	L	94.4	Very high	92.9	Very high	2 Å²	2	59 Å²	59	1%	0.01	30%	0.303	C	S	.	.			trans	-69	134.7	172.5	-73.4	173.7	0	0	0	110.5	L34 K37 A39 L53 S54 Y78 S80 L81	L34-L57 HydrophobicContact CD2-CD2 4.2Å; K37-L57 WeakPolarHBondContact O-CA 3.49Å; K37-L57 WeakPolarHBondContact O-CD2 3.37Å; A39-L57 HydrophobicContact CB-CD1 3.69Å; A39-L57 HydrophobicContact CB-CD2 3.9Å; A39-L57 HydrophobicContact CB-CG 4.47Å; L53-L57 HydrophobicContact CB-CD1 3.71Å; L53-L57 HydrophobicContact CD1-CD1 4.02Å; S54-L57 WeakPolarHBondContact O-CG 3.41Å; L57-Y78 HydrophobicContact CD1-CD1 4.26Å; L57-Y78 HydrophobicContact CD1-CE1 4.26Å; L57-S80 CarbonylContact O-C 3.36Å; L57-S80 WeakPolarHBondContact O-CB 3.43Å; L57-L81 HydrophobicContact CB-CD2 4.05Å; L57-L81 PolarHBondContact O-N 2.61Å
58	E	96.9	Very high	93	Very high	69 Å²	69	60.2 Å²	60.2	32%	0.322	30%	0.296	S	S	.	.	S	Bend	trans	-104.1	-21.9	172.3	-78.9	166	-171.6	0	0	111.2	K37 S80 I82 T83	K37-E58 HydrophobicContact CB-CB 4.25Å; K37-E58 HydrophobicContact CD-CB 4.41Å; K37-E58 HydrophobicContact CD-CG 4.01Å; K37-E58 WeakPolarHBondContact CD-OE2 3.33Å; K37-E58 IonicContact NZ-OE1 3.48Å; K37-E58 PolarHBondContact NZ-OE1 3.23Å; K37-E58 IonicContact NZ-OE2 2.6Å; K37-E58 PolarHBondContact NZ-OE2 3.28Å; K37-E58 PolarHBondContact O-N 3.48Å; E58-S80 WeakPolarHBondContact CG-O 3.47Å; E58-I82 HydrophobicContact CB-CD1 4.16Å; E58-I82 HydrophobicContact CB-CG1 4.41Å; E58-I82 HydrophobicContact CG-CD1 3.88Å; E58-I82 HydrophobicContact CG-CG1 4.31Å; E58-I82 PolarHBondContact O-N 2.62Å; E58-T83 PolarHBondContact O-N 2.88Å
59	E	97.6	Very high	93.2	Very high	61 Å²	61	58.9 Å²	58.9	29%	0.285	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.5	176.9	-179.5	-177.6	-174.5	0	0	112	K37 A38 A39 Q61 T83	K37-E59 PolarHBondContact O-N 3.01Å; A38-E59 CarbonylContact C-O 3.45Å; A38-E59 WeakPolarHBondContact CA-O 3.4Å; A38-E59 HydrophobicContact CB-CB 3.92Å; A38-E59 HydrophobicContact CB-CG 4.3Å; A39-E59 PolarHBondContact N-O 3.38Å; E59-Q61 HydrophobicContact CG-CG 4.25Å; E59-Q61 WeakPolarHBondContact OE1-CG 3.16Å; E59-Q61 PolarHBondContact OE1-NE2 2.86Å; E59-T83 WeakPolarHBondContact CA-O 3.28Å; E59-T83 HydrophobicContact CG-CG2 4.2Å
60	L	96.8	Very high	93.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	112.5	174.9	177.8	57.7	0	0	0	110.6	A39 V49 L53 L62 F75 L81 T83 I84 T85	A39-L60 HydrophobicContact CB-CD1 3.83Å; V49-L60 HydrophobicContact CG1-CD2 4.09Å; L53-L60 HydrophobicContact CD1-CD1 3.96Å; L60-L62 HydrophobicContact CD1-CD1 4.2Å; L60-L62 HydrophobicContact CD1-CD2 4.4Å; L60-L62 HydrophobicContact CD1-CG 4.05Å; L60-L62 HydrophobicContact CD2-CD1 3.87Å; L60-L62 HydrophobicContact CG-CD1 3.79Å; L60-L62 HydrophobicContact CG-CG 4.03Å; L60-F75 HydrophobicContact CD2-CD1 4.34Å; L60-F75 HydrophobicContact CD2-CE1 4.05Å; L60-L81 HydrophobicContact CB-CD1 4.47Å; L60-L81 HydrophobicContact CB-CD2 3.76Å; L60-L81 HydrophobicContact CD2-CD1 4.24Å; L60-T83 PolarHBondContact N-O 2.83Å; L60-I84 WeakPolarHBondContact O-CA 3.09Å; L60-T85 PolarHBondContact O-N 3.49Å
61	Q	97.4	Very high	93.5	Very high	46 Å²	46	61.5 Å²	61.5	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	120.3	176.5	-54.1	-170.5	0.3	0	0	111.1	A39 L40 C41 N42 E59 T85	A39-Q61 PolarHBondContact O-N 2.82Å; L40-Q61 HydrophobicContact CD2-CB 4.42Å; L40-Q61 VanDerWaalsContact CD2-CD 3.44Å; L40-Q61 HydrophobicContact CD2-CG 3.92Å; C41-Q61 CarbonylContact C-O 3.44Å; C41-Q61 VanDerWaalsContact CA-O 3.29Å; C41-Q61 WeakPolarHBondContact CA-O 3.43Å; C41-Q61 WeakPolarHBondContact CB-O 3.3Å; C41-Q61 PolarHBondContact N-O 2.88Å; N42-Q61 PolarHBondContact ND2-OE1 2.88Å; N42-Q61 WeakPolarHBondContact OD1-CB 3.38Å; E59-Q61 HydrophobicContact CG-CG 4.25Å; E59-Q61 WeakPolarHBondContact OE1-CG 3.16Å; E59-Q61 PolarHBondContact OE1-NE2 2.86Å; Q61-T85 WeakPolarHBondContact CA-OG1 3.46Å
62	L	97.4	Very high	94	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.279	C	S	.	.			trans	-128.9	22.7	-175.7	-71.6	163.9	0	0	0	111.8	C41 N42 L46 V49 P50 L60 N65 I67 T85 L86 N89	C41-L62 HydrophobicContact CB-CD2 3.68Å; N42-L62 PolarHBondContact OD1-N 3.39Å; L46-L62 HydrophobicContact CD1-CD2 3.77Å; V49-L62 HydrophobicContact CG1-CD1 4.29Å; V49-L62 HydrophobicContact CG2-CD1 4.02Å; P50-L62 HydrophobicContact CG-CD2 4.4Å; L60-L62 HydrophobicContact CD1-CD1 4.2Å; L60-L62 HydrophobicContact CD1-CD2 4.4Å; L60-L62 HydrophobicContact CD1-CG 4.05Å; L60-L62 HydrophobicContact CD2-CD1 3.87Å; L60-L62 HydrophobicContact CG-CD1 3.79Å; L60-L62 HydrophobicContact CG-CG 4.03Å; L62-N65 VanDerWaalsContact C-ND2 3.25Å; L62-N65 PolarHBondContact O-ND2 3.2Å; L62-I67 HydrophobicContact CB-CD1 4.2Å; L62-I67 HydrophobicContact CD1-CD1 4.12Å; L62-I67 HydrophobicContact CD2-CD1 4.09Å; L62-I67 HydrophobicContact CG-CD1 4.38Å; L62-T85 WeakPolarHBondContact CA-O 3.35Å; L62-T85 PolarHBondContact N-O 3.3Å; L62-L86 HydrophobicContact CB-CD2 3.76Å; L62-L86 HydrophobicContact CB-CG 4.44Å; L62-L86 HydrophobicContact CD1-CD2 3.86Å; L62-L86 HydrophobicContact CG-CD2 4.48Å; L62-N89 PolarHBondContact O-ND2 2.94Å
63	N	97.8	Very high	94.5	Very high	20 Å²	20	51.8 Å²	51.8	11%	0.107	27%	0.268	C	S	.	.			trans	-68.2	150.8	-175	-47.6	-76.8	0	0	0	112.2	N42 N43 N65 T85 L86 A87	N42-N63 CarbonylContact C-O 3.05Å; N42-N63 WeakPolarHBondContact CA-O 3.47Å; N42-N63 WeakPolarHBondContact OD1-CB 3.42Å; N42-N63 PolarHBondContact OD1-N 3.13Å; N42-N63 PolarHBondContact OD1-ND2 3.48Å; N43-N63 PolarHBondContact N-O 3.13Å; N63-N65 PolarHBondContact O-N 3.41Å; N63-N65 PolarHBondContact O-ND2 2.95Å; N63-T85 PolarHBondContact ND2-OG1 2.84Å; N63-T85 VanDerWaalsContact OD1-C 3.28Å; N63-T85 WeakPolarHBondContact OD1-CB 3.4Å; N63-L86 PolarHBondContact OD1-N 3.41Å; N63-A87 CarbonylContact C-O 3.48Å; N63-A87 VanDerWaalsContact CA-O 3.24Å; N63-A87 WeakPolarHBondContact CA-O 3.42Å; N63-A87 HydrophobicContact CB-CB 4.43Å; N63-A87 WeakPolarHBondContact OD1-CB 3.47Å; N63-A87 PolarHBondContact OD1-N 2.86Å
64	Y	97.6	Very high	94.8	Very high	139 Å²	139	51.2 Å²	51.2	55%	0.545	27%	0.266	S	S	.	.	S	Bend	trans	56.5	47.9	-179.2	-53.7	-84.2	0	0	0	112.9	N43 A87 C88	N43-Y64 VanDerWaalsContact CA-O 3.31Å; N43-Y64 WeakPolarHBondContact CA-O 3.45Å; N43-Y64 PolarHBondContact N-O 2.84Å; N43-Y64 VanDerWaalsContact OD1-CB 3.24Å; N43-Y64 WeakPolarHBondContact OD1-CB 3.44Å; Y64-A87 PolarHBondContact N-O 3.5Å; Y64-C88 WeakPolarHBondContact CA-O 3.45Å; Y64-C88 HydrophobicContact CD1-CB 3.5Å; Y64-C88 VanDerWaalsContact CD1-CB 3.5Å; Y64-C88 HydrophobicContact CE1-CB 3.62Å; Y64-C88 WeakPolarHBondContact CE1-SG 3.19Å; Y64-C88 HydrophobicContact CG-CB 4.11Å
65	N	97.3	Very high	95.3	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.053	25%	0.247	C	C	.	.	S	Bend	trans	-117.6	-160	173.1	-78.3	-67.1	0	0	0	109.8	C41 G44 S45 L46 L62 N63 I67 N89	C41-N65 PolarHBondContact O-ND2 2.82Å; G44-N65 VanDerWaalsContact C-OD1 3.29Å; G44-N65 VanDerWaalsContact CA-OD1 3.3Å; G44-N65 WeakPolarHBondContact CA-OD1 3.37Å; G44-N65 PolarHBondContact N-OD1 2.96Å; S45-N65 PolarHBondContact N-OD1 3.47Å; L46-N65 HydrophobicContact CB-CB 4.11Å; L46-N65 WeakPolarHBondContact CB-OD1 3.38Å; L46-N65 WeakPolarHBondContact CG-OD1 3.31Å; L46-N65 PolarHBondContact N-OD1 3.34Å; L62-N65 VanDerWaalsContact C-ND2 3.25Å; L62-N65 PolarHBondContact O-ND2 3.2Å; N63-N65 PolarHBondContact O-N 3.41Å; N63-N65 PolarHBondContact O-ND2 2.95Å; N65-I67 HydrophobicContact CB-CG1 4.29Å; N65-N89 VanDerWaalsContact C-OD1 3.23Å; N65-N89 WeakPolarHBondContact CA-OD1 3.32Å; N65-N89 WeakPolarHBondContact CB-OD1 3.35Å
66	Q	97	Very high	95.6	Very high	119 Å²	119	51.5 Å²	51.5	56%	0.556	25%	0.254	S	S	*	.			trans	-127.9	29.4	-174.3	-58	-179.1	9.2	0	0	111.4	L46 K68 N89	L46-Q66 CarbonylContact O-C 3.33Å; L46-Q66 WeakPolarHBondContact O-CA 3.35Å; L46-Q66 PolarHBondContact O-N 2.95Å; Q66-K68 PolarHBondContact O-N 3.47Å; Q66-N89 PolarHBondContact N-OD1 3.01Å
67	I	97.4	Very high	95.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.262	C	S	.	.			trans	-78.1	85.5	-174.9	-52.8	177.6	0	0	0	109.5	L46 V49 L62 N65 T69 L70 L86 N89 L91	L46-I67 WeakPolarHBondContact O-CG1 3.34Å; L46-I67 PolarHBondContact O-N 2.58Å; V49-I67 HydrophobicContact CG2-CD1 4.49Å; L62-I67 HydrophobicContact CB-CD1 4.2Å; L62-I67 HydrophobicContact CD1-CD1 4.12Å; L62-I67 HydrophobicContact CD2-CD1 4.09Å; L62-I67 HydrophobicContact CG-CD1 4.38Å; N65-I67 HydrophobicContact CB-CG1 4.29Å; I67-T69 VanDerWaalsContact C-N 3.34Å; I67-T69 PolarHBondContact O-N 2.96Å; I67-L70 HydrophobicContact CG2-CD2 3.98Å; I67-L86 HydrophobicContact CD1-CD2 4.17Å; I67-N89 VanDerWaalsContact CB-OD1 3.31Å; I67-N89 WeakPolarHBondContact CB-OD1 3.39Å; I67-N89 WeakPolarHBondContact CG1-OD1 3.5Å; I67-N89 PolarHBondContact N-OD1 3.07Å; I67-L91 WeakPolarHBondContact O-CA 3.41Å; I67-L91 WeakPolarHBondContact O-CB 3.38Å; I67-L91 WeakPolarHBondContact O-CD1 3.32Å
68	K	96.9	Very high	95.5	Very high	116 Å²	116	55.5 Å²	55.5	50%	0.504	26%	0.262	S	S	.	.			trans	-68	-26.4	179.4	-80.8	176.6	168.8	-92.5	0	114.7	Q66 E92 K93	Q66-K68 PolarHBondContact O-N 3.47Å; K68-E92 IonicContact NZ-OE1 3.56Å; K68-E92 PolarHBondContact NZ-OE1 3.35Å; K68-E92 PolarHBondContact O-N 3.06Å; K68-K93 PolarHBondContact O-N 2.85Å
69	T	97.2	Very high	95.2	Very high	38 Å²	38	55.2 Å²	55.2	23%	0.233	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	134.8	-178.9	-57.3	0	0	0	0	111.3	I67 H71 K93	I67-T69 VanDerWaalsContact C-N 3.34Å; I67-T69 PolarHBondContact O-N 2.96Å; T69-H71 VanDerWaalsContact CG2-CE1 3.47Å; T69-H71 WeakPolarHBondContact CG2-CE1 3.21Å; T69-K93 VanDerWaalsContact CA-O 3.31Å; T69-K93 WeakPolarHBondContact CA-O 3.47Å; T69-K93 HydrophobicContact CG2-CB 4.2Å; T69-K93 HydrophobicContact CG2-CG 4.28Å
70	L	97.4	Very high	95.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	119.9	164.2	-66.1	175.9	0	0	0	109.4	V49 I67 F75 L86 L91 K93 V94 Q95 V98	V49-L70 HydrophobicContact CG2-CD2 3.73Å; I67-L70 HydrophobicContact CG2-CD2 3.98Å; L70-F75 HydrophobicContact CD1-CE2 4.09Å; L70-F75 HydrophobicContact CD1-CZ 4.22Å; L70-F75 HydrophobicContact CD2-CE2 4.28Å; L70-F75 HydrophobicContact CD2-CZ 3.88Å; L70-L86 HydrophobicContact CD1-CD1 3.77Å; L70-L86 HydrophobicContact CD2-CD1 4.44Å; L70-L86 HydrophobicContact CD2-CD2 4.43Å; L70-L91 HydrophobicContact CD1-CD2 4.09Å; L70-L91 HydrophobicContact CG-CD1 3.99Å; L70-L91 HydrophobicContact CG-CD2 4.34Å; L70-K93 PolarHBondContact N-O 3.11Å; L70-V94 HydrophobicContact CB-CG1 4.35Å; L70-V94 HydrophobicContact CD1-CG1 4.18Å; L70-V94 HydrophobicContact CD1-CG2 4.18Å; L70-Q95 WeakPolarHBondContact O-CB 3.39Å; L70-Q95 WeakPolarHBondContact O-CG 3.37Å; L70-Q95 PolarHBondContact O-N 3.1Å; L70-V98 HydrophobicContact CB-CG2 4.13Å
71	H	96	Very high	95.1	Very high	87 Å²	87	54.1 Å²	54.1	40%	0.403	27%	0.265	S	S	.	.			trans	-96.6	155.5	-178.7	-64.9	-72.4	0	0	0	111.2	T69 V73 S74 Q95 V98	T69-H71 VanDerWaalsContact CG2-CE1 3.47Å; T69-H71 WeakPolarHBondContact CG2-CE1 3.21Å; H71-V73 HydrophobicContact CB-CG2 4.27Å; H71-V73 PolarHBondContact O-N 3.35Å; H71-S74 PolarHBondContact N-OG 3.5Å; H71-S74 VanDerWaalsContact N-OG 3.13Å; H71-S74 VanDerWaalsContact O-CB 3.24Å; H71-S74 WeakPolarHBondContact O-CB 3.24Å; H71-S74 PolarHBondContact O-N 2.88Å; H71-S74 PolarHBondContact O-OG 3.02Å; H71-S74 VanDerWaalsContact O-OG 3.13Å; H71-Q95 VanDerWaalsContact CA-OE1 3.26Å; H71-Q95 PolarHBondContact ND1-NE2 3.47Å; H71-V98 WeakPolarHBondContact O-CG2 3.19Å
72	N	94.6	Very high	95.1	Very high	65 Å²	65	54.8 Å²	54.8	35%	0.348	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-16.3	-178.5	-70.1	-29.6	0	0	0	115.3	Q95 N97 V98	N72-Q95 WeakPolarHBondContact OD1-CB 3.29Å; N72-N97 WeakPolarHBondContact OD1-CA 3.46Å; N72-N97 WeakPolarHBondContact OD1-CB 3.46Å; N72-N97 PolarHBondContact OD1-N 3.45Å; N72-V98 PolarHBondContact OD1-N 3.1Å
73	V	92.4	Very high	95.2	Very high	101 Å²	101	56.3 Å²	56.3	61%	0.612	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-11.5	175.6	-63.5	0	0	0	0	114.4	H71 F75 L76	H71-V73 HydrophobicContact CB-CG2 4.27Å; H71-V73 PolarHBondContact O-N 3.35Å; V73-F75 VanDerWaalsContact C-N 3.34Å; V73-F75 PolarHBondContact O-N 3.38Å; V73-L76 WeakPolarHBondContact O-CB 3.19Å; V73-L76 PolarHBondContact O-N 2.84Å
74	S	92.9	Very high	95.2	Very high	20 Å²	20	55.3 Å²	55.3	14%	0.14	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-32.9	-166.8	-70.3	0	0	0	0	114.7	V49 H71	V49-S74 WeakPolarHBondContact CG1-O 3.24Å; H71-S74 PolarHBondContact N-OG 3.5Å; H71-S74 VanDerWaalsContact N-OG 3.13Å; H71-S74 VanDerWaalsContact O-CB 3.24Å; H71-S74 WeakPolarHBondContact O-CB 3.24Å; H71-S74 PolarHBondContact O-N 2.88Å; H71-S74 PolarHBondContact O-OG 3.02Å; H71-S74 VanDerWaalsContact O-OG 3.13Å
75	F	93.1	Very high	95.3	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	7.5	178.2	-53.4	-57.2	0	0	0	114.2	V49 L60 L70 V73 R77 Y78 L81 I84 L86 V98 F99	V49-F75 HydrophobicContact CB-CE1 4.49Å; V49-F75 HydrophobicContact CG1-CD1 4.19Å; V49-F75 HydrophobicContact CG1-CE1 3.96Å; V49-F75 HydrophobicContact CG2-CE1 3.77Å; V49-F75 HydrophobicContact CG2-CZ 4.08Å; L60-F75 HydrophobicContact CD2-CD1 4.34Å; L60-F75 HydrophobicContact CD2-CE1 4.05Å; L70-F75 HydrophobicContact CD1-CE2 4.09Å; L70-F75 HydrophobicContact CD1-CZ 4.22Å; L70-F75 HydrophobicContact CD2-CE2 4.28Å; L70-F75 HydrophobicContact CD2-CZ 3.88Å; V73-F75 VanDerWaalsContact C-N 3.34Å; V73-F75 PolarHBondContact O-N 3.38Å; F75-R77 PolarHBondContact O-N 2.95Å; F75-Y78 PolarHBondContact O-N 3.32Å; F75-L81 HydrophobicContact CD1-CD1 4.14Å; F75-I84 HydrophobicContact CD1-CD1 4.22Å; F75-I84 HydrophobicContact CD2-CD1 4.29Å; F75-I84 HydrophobicContact CE1-CD1 4.03Å; F75-I84 HydrophobicContact CE2-CD1 4.12Å; F75-I84 HydrophobicContact CG-CD1 4.36Å; F75-I84 HydrophobicContact CZ-CD1 4Å; F75-I84 HydrophobicContact CZ-CG2 4.34Å; F75-L86 HydrophobicContact CZ-CD1 4.47Å; F75-V98 HydrophobicContact CD2-CG2 3.7Å; F75-V98 HydrophobicContact CE2-CG2 3.92Å; F75-F99 AromaticContact CD2-CD1 3.82Å; F75-F99 HydrophobicContact CD2-CD1 3.82Å; F75-F99 AromaticContact CD2-CE1 3.82Å; F75-F99 HydrophobicContact CD2-CE1 3.82Å; F75-F99 AromaticContact CE2-CD1 3.97Å; F75-F99 HydrophobicContact CE2-CD1 3.97Å; F75-F99 AromaticContact CE2-CE1 3.46Å; F75-F99 HydrophobicContact CE2-CE1 3.46Å; F75-F99 VanDerWaalsContact CE2-CE1 3.46Å; F75-F99 HydrophobicContact CE2-CZ 4.31Å; F75-F99 HydrophobicContact CZ-CE1 4.44Å
76	L	90	Very high	95.3	Very high	101 Å²	101	49.2 Å²	49.2	53%	0.529	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.4	-178.1	-178.9	61.5	0	0	0	113.9	V73 D101	V73-L76 WeakPolarHBondContact O-CB 3.19Å; V73-L76 PolarHBondContact O-N 2.84Å; L76-D101 WeakPolarHBondContact CD1-OD2 3.47Å
77	R	88.8	Confident	95.3	Very high	170 Å²	170	44.2 Å²	44.2	64%	0.642	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.1	176	-68.7	-173	175.3	-78.6	-2.4	114.2	E51 G55 F75 P79	E51-R77 VanDerWaalsContact O-CD 3.3Å; E51-R77 WeakPolarHBondContact O-CD 3.01Å; G55-R77 VanDerWaalsContact CA-O 3.32Å; G55-R77 WeakPolarHBondContact CA-O 3.31Å; F75-R77 PolarHBondContact O-N 2.95Å; R77-P79 VanDerWaalsContact C-CD 3.42Å; R77-P79 WeakPolarHBondContact O-CD 3.31Å
78	Y	92.3	Very high	95.4	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.008	24%	0.241	C	C	.	.			trans	-129.1	60.2	-168.2	-50	-54	0	0	0	112.4	V49 P50 L53 S54 L57 F75 S80 L81	V49-Y78 HydrophobicContact CG1-CE2 4.27Å; P50-Y78 WeakPolarHBondContact O-CE2 3.48Å; P50-Y78 PolarHBondContact O-OH 3.01Å; L53-Y78 HydrophobicContact CB-CE1 3.88Å; L53-Y78 WeakPolarHBondContact CB-OH 3.37Å; L53-Y78 PolarHBondContact N-OH 3.19Å; S54-Y78 WeakPolarHBondContact O-CD1 3.18Å; S54-Y78 WeakPolarHBondContact O-CE1 3.43Å; L57-Y78 HydrophobicContact CD1-CD1 4.26Å; L57-Y78 HydrophobicContact CD1-CE1 4.26Å; F75-Y78 PolarHBondContact O-N 3.32Å; Y78-S80 PolarHBondContact O-N 2.75Å; Y78-L81 VanDerWaalsContact CB-CD1 3.43Å; Y78-L81 HydrophobicContact CG-CD1 4.3Å; Y78-L81 WeakPolarHBondContact O-CG 3.16Å; Y78-L81 PolarHBondContact O-N 3.2Å
79	P	92	Very high	95.4	Very high	63 Å²	63	40.6 Å²	40.6	41%	0.409	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.3	-177.9	31.5	-37.5	0	0	0	113.7	R77 D101	R77-P79 VanDerWaalsContact C-CD 3.42Å; R77-P79 WeakPolarHBondContact O-CD 3.31Å; P79-D101 WeakPolarHBondContact CA-O 3.37Å; P79-D101 WeakPolarHBondContact CB-O 3.4Å
80	S	95.6	Very high	95.4	Very high	38 Å²	38	40 Å²	40	27%	0.266	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3.3	-179.5	-59.5	0	0	0	0	114.7	L57 E58 Y78 I82	L57-S80 CarbonylContact O-C 3.36Å; L57-S80 WeakPolarHBondContact O-CB 3.43Å; E58-S80 WeakPolarHBondContact CG-O 3.47Å; Y78-S80 PolarHBondContact O-N 2.75Å; S80-I82 PolarHBondContact O-N 2.93Å
81	L	96.3	Very high	95.5	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.			trans	-65.9	128.5	-176.7	-72.9	171.2	0	0	0	112.2	L57 L60 F75 Y78 I84 L104 L105	L57-L81 HydrophobicContact CB-CD2 4.05Å; L57-L81 PolarHBondContact O-N 2.61Å; L60-L81 HydrophobicContact CB-CD1 4.47Å; L60-L81 HydrophobicContact CB-CD2 3.76Å; L60-L81 HydrophobicContact CD2-CD1 4.24Å; F75-L81 HydrophobicContact CD1-CD1 4.14Å; Y78-L81 VanDerWaalsContact CB-CD1 3.43Å; Y78-L81 HydrophobicContact CG-CD1 4.3Å; Y78-L81 WeakPolarHBondContact O-CG 3.16Å; Y78-L81 PolarHBondContact O-N 3.2Å; L81-I84 HydrophobicContact CB-CD1 4.48Å; L81-I84 HydrophobicContact CB-CG1 4.39Å; L81-I84 HydrophobicContact CD1-CD1 3.83Å; L81-I84 HydrophobicContact CD1-CG1 3.92Å; L81-L104 CarbonylContact O-C 3.28Å; L81-L104 VanDerWaalsContact O-C 3.28Å; L81-L105 HydrophobicContact CB-CD1 4.29Å; L81-L105 VanDerWaalsContact O-CA 3.31Å; L81-L105 WeakPolarHBondContact O-CA 3.28Å; L81-L105 PolarHBondContact O-N 3.49Å; L81-L105 VanDerWaalsContact O-N 3.16Å
82	I	98.1	Very high	95.5	Very high	61 Å²	61	38.5 Å²	38.5	31%	0.313	21%	0.213	S	C	.	.	S	Bend	trans	-106.5	-35.3	174.4	-60.6	173.1	0	0	0	109.8	E58 S80 E106 N107	E58-I82 HydrophobicContact CB-CD1 4.16Å; E58-I82 HydrophobicContact CB-CG1 4.41Å; E58-I82 HydrophobicContact CG-CD1 3.88Å; E58-I82 HydrophobicContact CG-CG1 4.31Å; E58-I82 PolarHBondContact O-N 2.62Å; S80-I82 PolarHBondContact O-N 2.93Å; I82-E106 HydrophobicContact CG2-CB 4.2Å; I82-E106 HydrophobicContact CG2-CG 4.2Å; I82-E106 PolarHBondContact O-N 3.06Å; I82-N107 PolarHBondContact O-N 2.86Å
83	T	98.5	Very high	95.5	Very high	31 Å²	31	39 Å²	39	19%	0.19	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.9	-179.7	-60.7	0	0	0	0	111.9	E58 E59 L60 T85 N107	E58-T83 PolarHBondContact O-N 2.88Å; E59-T83 WeakPolarHBondContact CA-O 3.28Å; E59-T83 HydrophobicContact CG-CG2 4.2Å; L60-T83 PolarHBondContact N-O 2.83Å; T83-T85 HydrophobicContact CG2-CG2 4.17Å; T83-N107 WeakPolarHBondContact CA-O 3.37Å; T83-N107 HydrophobicContact CG2-CB 4.2Å
84	I	98.1	Very high	95.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.2	169	-65	168.3	0	0	0	109	L60 F75 L81 L86 F99 L105 N107 L108 N109	L60-I84 WeakPolarHBondContact O-CA 3.09Å; F75-I84 HydrophobicContact CD1-CD1 4.22Å; F75-I84 HydrophobicContact CD2-CD1 4.29Å; F75-I84 HydrophobicContact CE1-CD1 4.03Å; F75-I84 HydrophobicContact CE2-CD1 4.12Å; F75-I84 HydrophobicContact CG-CD1 4.36Å; F75-I84 HydrophobicContact CZ-CD1 4Å; F75-I84 HydrophobicContact CZ-CG2 4.34Å; L81-I84 HydrophobicContact CB-CD1 4.48Å; L81-I84 HydrophobicContact CB-CG1 4.39Å; L81-I84 HydrophobicContact CD1-CD1 3.83Å; L81-I84 HydrophobicContact CD1-CG1 3.92Å; I84-L86 HydrophobicContact CG2-CD1 3.55Å; I84-L86 HydrophobicContact CG2-CG 3.88Å; I84-F99 HydrophobicContact CD1-CE1 4.15Å; I84-L105 HydrophobicContact CB-CD1 4.1Å; I84-L105 HydrophobicContact CD1-CD1 3.63Å; I84-L105 HydrophobicContact CD1-CD2 3.99Å; I84-L105 HydrophobicContact CD1-CG 4.5Å; I84-L105 HydrophobicContact CG1-CD1 3.57Å; I84-N107 PolarHBondContact N-O 2.77Å; I84-L108 HydrophobicContact CB-CD1 3.99Å; I84-L108 HydrophobicContact CG2-CD1 4.04Å; I84-L108 WeakPolarHBondContact O-CA 3.4Å; I84-N109 PolarHBondContact O-N 3.13Å
85	T	98.4	Very high	96	Very high	21 Å²	21	35.5 Å²	35.5	13%	0.129	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.8	173.7	59.2	0	0	0	0	111.2	L60 Q61 L62 N63 T83 N109	L60-T85 PolarHBondContact O-N 3.49Å; Q61-T85 WeakPolarHBondContact CA-OG1 3.46Å; L62-T85 WeakPolarHBondContact CA-O 3.35Å; L62-T85 PolarHBondContact N-O 3.3Å; N63-T85 PolarHBondContact ND2-OG1 2.84Å; N63-T85 VanDerWaalsContact OD1-C 3.28Å; N63-T85 WeakPolarHBondContact OD1-CB 3.4Å; T83-T85 HydrophobicContact CG2-CG2 4.17Å; T85-N109 HydrophobicContact CG2-CB 3.91Å
86	L	97.9	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.			trans	-132.1	23.3	-170.8	-77.1	155.4	0	0	0	111.8	L62 N63 I67 L70 F75 I84 N89 N109 L110 N113	L62-L86 HydrophobicContact CB-CD2 3.76Å; L62-L86 HydrophobicContact CB-CG 4.44Å; L62-L86 HydrophobicContact CD1-CD2 3.86Å; L62-L86 HydrophobicContact CG-CD2 4.48Å; N63-L86 PolarHBondContact OD1-N 3.41Å; I67-L86 HydrophobicContact CD1-CD2 4.17Å; L70-L86 HydrophobicContact CD1-CD1 3.77Å; L70-L86 HydrophobicContact CD2-CD1 4.44Å; L70-L86 HydrophobicContact CD2-CD2 4.43Å; F75-L86 HydrophobicContact CZ-CD1 4.47Å; I84-L86 HydrophobicContact CG2-CD1 3.55Å; I84-L86 HydrophobicContact CG2-CG 3.88Å; L86-N89 PolarHBondContact O-ND2 3.13Å; L86-N109 PolarHBondContact N-O 2.94Å; L86-L110 HydrophobicContact CB-CD2 4.17Å; L86-L110 HydrophobicContact CD1-CD2 3.89Å; L86-N113 PolarHBondContact O-ND2 2.98Å
87	A	98.3	Very high	96.3	Very high	13 Å²	13	35.5 Å²	35.5	11%	0.107	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	149.4	-175.4	0	0	0	0	0	112.1	N63 Y64 N89 A111	N63-A87 CarbonylContact C-O 3.48Å; N63-A87 VanDerWaalsContact CA-O 3.24Å; N63-A87 WeakPolarHBondContact CA-O 3.42Å; N63-A87 HydrophobicContact CB-CB 4.43Å; N63-A87 WeakPolarHBondContact OD1-CB 3.47Å; N63-A87 PolarHBondContact OD1-N 2.86Å; Y64-A87 PolarHBondContact N-O 3.5Å; A87-N89 PolarHBondContact O-N 2.91Å; A87-N89 PolarHBondContact O-ND2 3.33Å; A87-A111 CarbonylContact C-O 3.19Å; A87-A111 WeakPolarHBondContact CA-O 3.5Å; A87-A111 HydrophobicContact CB-CB 4.18Å
88	C	98.3	Very high	96.7	Very high	32 Å²	32	27.6 Å²	27.6	22%	0.216	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	42.3	175.2	-53.7	0	0	0	0	113.9	Y64 A111 N112	Y64-C88 WeakPolarHBondContact CA-O 3.45Å; Y64-C88 HydrophobicContact CD1-CB 3.5Å; Y64-C88 VanDerWaalsContact CD1-CB 3.5Å; Y64-C88 HydrophobicContact CE1-CB 3.62Å; Y64-C88 WeakPolarHBondContact CE1-SG 3.19Å; Y64-C88 HydrophobicContact CG-CB 4.11Å; C88-A111 PolarHBondContact N-O 3.06Å; C88-N112 VanDerWaalsContact CA-O 3.24Å; C88-N112 WeakPolarHBondContact CA-O 3.36Å; C88-N112 PolarHBondContact N-O 3.47Å; C88-N112 PolarHBondContact SG-ND2 3.02Å; C88-N112 VanDerWaalsContact SG-ND2 3.43Å
89	N	97.8	Very high	96.8	Very high	9 Å²	9	27.5 Å²	27.5	5%	0.048	16%	0.16	C	C	.	.	S	Bend	trans	-100.2	-16.5	177.4	-94.1	-91.2	0	0	0	114.1	L62 N65 Q66 I67 L86 A87 L91 N113	L62-N89 PolarHBondContact O-ND2 2.94Å; N65-N89 VanDerWaalsContact C-OD1 3.23Å; N65-N89 WeakPolarHBondContact CA-OD1 3.32Å; N65-N89 WeakPolarHBondContact CB-OD1 3.35Å; Q66-N89 PolarHBondContact N-OD1 3.01Å; I67-N89 VanDerWaalsContact CB-OD1 3.31Å; I67-N89 WeakPolarHBondContact CB-OD1 3.39Å; I67-N89 WeakPolarHBondContact CG1-OD1 3.5Å; I67-N89 PolarHBondContact N-OD1 3.07Å; L86-N89 PolarHBondContact O-ND2 3.13Å; A87-N89 PolarHBondContact O-N 2.91Å; A87-N89 PolarHBondContact O-ND2 3.33Å; N89-L91 HydrophobicContact CB-CB 4.3Å; N89-L91 PolarHBondContact O-N 3.5Å; N89-N113 WeakPolarHBondContact CA-OD1 3.46Å; N89-N113 WeakPolarHBondContact CB-OD1 3.44Å; N89-N113 PolarHBondContact N-OD1 3.49Å
90	G	97.4	Very high	96.7	Very high	25 Å²	25	32.3 Å²	32.3	26%	0.258	17%	0.17	S	C	.	.			trans	67.9	22.3	-165.3	0	0	0	0	0	113.4	E92 N113 N114	G90-E92 VanDerWaalsContact O-CG 3.28Å; G90-E92 WeakPolarHBondContact O-CG 3.44Å; G90-E92 PolarHBondContact O-N 3.14Å; G90-N113 PolarHBondContact N-OD1 3.31Å; G90-N114 WeakPolarHBondContact CA-ND2 3.39Å; G90-N114 PolarHBondContact O-ND2 2.9Å
91	L	98.3	Very high	96.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.			trans	-55.2	119.9	-179.7	176	61.4	0	0	0	111.1	I67 L70 N89 K93 V94 L110 N113 N114 I115	I67-L91 WeakPolarHBondContact O-CA 3.41Å; I67-L91 WeakPolarHBondContact O-CB 3.38Å; I67-L91 WeakPolarHBondContact O-CD1 3.32Å; L70-L91 HydrophobicContact CD1-CD2 4.09Å; L70-L91 HydrophobicContact CG-CD1 3.99Å; L70-L91 HydrophobicContact CG-CD2 4.34Å; N89-L91 HydrophobicContact CB-CB 4.3Å; N89-L91 PolarHBondContact O-N 3.5Å; L91-K93 WeakPolarHBondContact CD1-O 3.26Å; L91-V94 HydrophobicContact CD1-CG2 4.43Å; L91-V94 HydrophobicContact CD2-CG2 4.03Å; L91-V94 HydrophobicContact CG-CG2 4.35Å; L91-L110 HydrophobicContact CD2-CD2 3.98Å; L91-N113 HydrophobicContact CB-CB 4.04Å; L91-N113 WeakPolarHBondContact CB-OD1 3.39Å; L91-N113 PolarHBondContact N-OD1 3.39Å; L91-N114 CarbonylContact O-C 3.49Å; L91-N114 VanDerWaalsContact O-C 3.28Å; L91-N114 WeakPolarHBondContact O-CA 3.38Å; L91-N114 PolarHBondContact O-N 2.85Å; L91-I115 HydrophobicContact CD2-CD1 4.06Å; L91-I115 HydrophobicContact CG-CD1 3.96Å
92	E	97.1	Very high	96.1	Very high	56 Å²	56	34.1 Å²	34.1	26%	0.262	18%	0.177	S	C	.	.			trans	-102.9	-28.1	-175.1	-52.1	178.5	-175.2	0	0	111.7	K68 G90 N114 I117 G118	K68-E92 IonicContact NZ-OE1 3.56Å; K68-E92 PolarHBondContact NZ-OE1 3.35Å; K68-E92 PolarHBondContact O-N 3.06Å; G90-E92 VanDerWaalsContact O-CG 3.28Å; G90-E92 WeakPolarHBondContact O-CG 3.44Å; G90-E92 PolarHBondContact O-N 3.14Å; E92-N114 HydrophobicContact CG-CB 4.2Å; E92-I117 HydrophobicContact CB-CB 4.42Å; E92-I117 HydrophobicContact CB-CD1 4.31Å; E92-I117 HydrophobicContact CB-CG2 4.44Å; E92-I117 HydrophobicContact CG-CD1 4.18Å; E92-G118 WeakPolarHBondContact O-CA 3.47Å; E92-G118 PolarHBondContact O-N 2.75Å; E92-G118 VanDerWaalsContact O-N 3.14Å
93	K	94.7	Very high	95.8	Very high	76 Å²	76	35 Å²	35	33%	0.33	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	132.1	-170.8	-178.7	167.1	-179.4	131.4	0	113.5	K68 T69 L70 L91 E121	K68-K93 PolarHBondContact O-N 2.85Å; T69-K93 VanDerWaalsContact CA-O 3.31Å; T69-K93 WeakPolarHBondContact CA-O 3.47Å; T69-K93 HydrophobicContact CG2-CB 4.2Å; T69-K93 HydrophobicContact CG2-CG 4.28Å; L70-K93 PolarHBondContact N-O 3.11Å; L91-K93 WeakPolarHBondContact CD1-O 3.26Å; K93-E121 WeakPolarHBondContact CE-OE1 3.47Å; K93-E121 WeakPolarHBondContact CE-OE2 3.46Å; K93-E121 VanDerWaalsContact NZ-CD 3.33Å; K93-E121 IonicContact NZ-OE1 2.61Å; K93-E121 PolarHBondContact NZ-OE1 3.03Å; K93-E121 IonicContact NZ-OE2 2.58Å; K93-E121 PolarHBondContact NZ-OE2 3.39Å
94	V	97.7	Very high	95.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.3	170.9	-174.8	0	0	0	0	108.1	L70 L91 V98 F99 I115 E121 T122 A125	L70-V94 HydrophobicContact CB-CG1 4.35Å; L70-V94 HydrophobicContact CD1-CG1 4.18Å; L70-V94 HydrophobicContact CD1-CG2 4.18Å; L91-V94 HydrophobicContact CD1-CG2 4.43Å; L91-V94 HydrophobicContact CD2-CG2 4.03Å; L91-V94 HydrophobicContact CG-CG2 4.35Å; V94-V98 HydrophobicContact CG1-CG1 3.5Å; V94-V98 VanDerWaalsContact CG1-CG1 3.5Å; V94-F99 HydrophobicContact CG1-CE2 3.97Å; V94-F99 HydrophobicContact CG1-CZ 4.36Å; V94-I115 HydrophobicContact CG2-CD1 3.89Å; V94-E121 CarbonylContact O-C 3.6Å; V94-T122 HydrophobicContact CB-CG2 3.94Å; V94-T122 HydrophobicContact CG2-CG2 3.86Å; V94-A125 HydrophobicContact CG1-CB 3.75Å
95	Q	97	Very high	95.7	Very high	47 Å²	47	38.3 Å²	38.3	22%	0.22	20%	0.196	C	C	.	.			trans	-74.2	141.3	-178.7	-70.5	-168.6	-26.4	0	0	112.4	L70 H71 N72 N97 V98 E121 A125	L70-Q95 WeakPolarHBondContact O-CB 3.39Å; L70-Q95 WeakPolarHBondContact O-CG 3.37Å; L70-Q95 PolarHBondContact O-N 3.1Å; H71-Q95 VanDerWaalsContact CA-OE1 3.26Å; H71-Q95 PolarHBondContact ND1-NE2 3.47Å; N72-Q95 WeakPolarHBondContact OD1-CB 3.29Å; Q95-N97 PolarHBondContact O-N 3.46Å; Q95-V98 WeakPolarHBondContact O-CB 3.36Å; Q95-V98 VanDerWaalsContact O-CG1 3.28Å; Q95-V98 WeakPolarHBondContact O-CG1 3.41Å; Q95-V98 PolarHBondContact O-N 3.39Å; Q95-E121 WeakPolarHBondContact CA-OE1 3.36Å; Q95-E121 WeakPolarHBondContact CG-OE1 3.38Å; Q95-A125 WeakPolarHBondContact O-CB 3.38Å
96	S	95.9	Very high	95.7	Very high	30 Å²	30	40.4 Å²	40.4	21%	0.21	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-12.4	-165.2	59.1	0	0	0	0	117.2
97	N	94.6	Very high	95.8	Very high	71 Å²	71	42.5 Å²	42.5	38%	0.38	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	10.5	-180	-73.2	-106.1	0	0	0	112.7	N72 Q95 F99 R100	N72-N97 WeakPolarHBondContact OD1-CA 3.46Å; N72-N97 WeakPolarHBondContact OD1-CB 3.46Å; N72-N97 PolarHBondContact OD1-N 3.45Å; Q95-N97 PolarHBondContact O-N 3.46Å; N97-F99 VanDerWaalsContact C-N 3.26Å; N97-F99 PolarHBondContact O-N 3.14Å; N97-R100 WeakPolarHBondContact O-CB 3.03Å; N97-R100 PolarHBondContact O-N 3.09Å; N97-R100 VanDerWaalsContact O-N 3.1Å
98	V	95.9	Very high	95.8	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.024	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.9	-170.9	71.1	0	0	0	0	115	L70 H71 N72 F75 V94 Q95 A125	L70-V98 HydrophobicContact CB-CG2 4.13Å; H71-V98 WeakPolarHBondContact O-CG2 3.19Å; N72-V98 PolarHBondContact OD1-N 3.1Å; F75-V98 HydrophobicContact CD2-CG2 3.7Å; F75-V98 HydrophobicContact CE2-CG2 3.92Å; V94-V98 HydrophobicContact CG1-CG1 3.5Å; V94-V98 VanDerWaalsContact CG1-CG1 3.5Å; Q95-V98 WeakPolarHBondContact O-CB 3.36Å; Q95-V98 VanDerWaalsContact O-CG1 3.28Å; Q95-V98 WeakPolarHBondContact O-CG1 3.41Å; Q95-V98 PolarHBondContact O-N 3.39Å; V98-A125 HydrophobicContact CG1-CB 4.29Å
99	F	94.9	Very high	95.8	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	7.2	177.6	-55.1	-64.5	0	0	0	113.9	F75 I84 V94 N97 D101 S102 Q103 L105 L108 A125 L129	F75-F99 AromaticContact CD2-CD1 3.82Å; F75-F99 HydrophobicContact CD2-CD1 3.82Å; F75-F99 AromaticContact CD2-CE1 3.82Å; F75-F99 HydrophobicContact CD2-CE1 3.82Å; F75-F99 AromaticContact CE2-CD1 3.97Å; F75-F99 HydrophobicContact CE2-CD1 3.97Å; F75-F99 AromaticContact CE2-CE1 3.46Å; F75-F99 HydrophobicContact CE2-CE1 3.46Å; F75-F99 VanDerWaalsContact CE2-CE1 3.46Å; F75-F99 HydrophobicContact CE2-CZ 4.31Å; F75-F99 HydrophobicContact CZ-CE1 4.44Å; I84-F99 HydrophobicContact CD1-CE1 4.15Å; V94-F99 HydrophobicContact CG1-CE2 3.97Å; V94-F99 HydrophobicContact CG1-CZ 4.36Å; N97-F99 VanDerWaalsContact C-N 3.26Å; N97-F99 PolarHBondContact O-N 3.14Å; F99-D101 PolarHBondContact O-N 3.38Å; F99-D101 VanDerWaalsContact O-N 3.11Å; F99-S102 PolarHBondContact O-N 2.95Å; F99-Q103 PolarHBondContact O-NE2 3.26Å; F99-L105 HydrophobicContact CD1-CD2 4.09Å; F99-L105 HydrophobicContact CE1-CD2 4.16Å; F99-L108 HydrophobicContact CE1-CD1 4.36Å; F99-L108 HydrophobicContact CE1-CD2 4.34Å; F99-L108 HydrophobicContact CE2-CD2 3.97Å; F99-L108 HydrophobicContact CZ-CD1 4.15Å; F99-L108 HydrophobicContact CZ-CD2 3.66Å; F99-A125 HydrophobicContact CD2-CB 4.08Å; F99-A125 HydrophobicContact CE2-CB 4.21Å; F99-L129 HydrophobicContact CB-CD1 4.43Å; F99-L129 HydrophobicContact CB-CD2 3.5Å; F99-L129 HydrophobicContact CB-CG 3.93Å; F99-L129 HydrophobicContact CD2-CD1 3.91Å; F99-L129 HydrophobicContact CD2-CG 4.22Å; F99-L129 HydrophobicContact CE2-CD1 4.32Å; F99-L129 HydrophobicContact CG-CD1 4.11Å; F99-L129 HydrophobicContact CG-CD2 3.98Å; F99-L129 HydrophobicContact CG-CG 4.17Å
100	R	90.4	Very high	95.8	Very high	163 Å²	163	41.4 Å²	41.4	62%	0.615	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-39.8	-174.2	-178.9	179.5	179.9	-168.5	-0.5	113.4	N97 Q103	N97-R100 WeakPolarHBondContact O-CB 3.03Å; N97-R100 PolarHBondContact O-N 3.09Å; N97-R100 VanDerWaalsContact O-N 3.1Å; R100-Q103 WeakPolarHBondContact O-CG 3.45Å; R100-Q103 PolarHBondContact O-NE2 3.39Å; R100-Q103 VanDerWaalsContact O-NE2 3.1Å
101	D	87.6	Confident	95.9	Very high	77 Å²	77	40.8 Å²	40.8	41%	0.412	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-5.7	-178.3	-55.4	-69.7	0	0	0	113.3	L76 P79 F99 Q103	L76-D101 WeakPolarHBondContact CD1-OD2 3.47Å; P79-D101 WeakPolarHBondContact CA-O 3.37Å; P79-D101 WeakPolarHBondContact CB-O 3.4Å; F99-D101 PolarHBondContact O-N 3.38Å; F99-D101 VanDerWaalsContact O-N 3.11Å; D101-Q103 PolarHBondContact O-N 2.71Å
102	S	90.7	Very high	95.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.219	C	C	.	.			trans	-98.3	47.7	-179.7	-57.6	0	0	0	0	112	F99 L104 L105	F99-S102 PolarHBondContact O-N 2.95Å; S102-L104 PolarHBondContact O-N 3.08Å; S102-L104 VanDerWaalsContact O-N 3.09Å; S102-L105 WeakPolarHBondContact O-CB 3.4Å; S102-L105 PolarHBondContact O-N 3.07Å; S102-L105 VanDerWaalsContact O-N 3.15Å
103	Q	92.7	Very high	96	Very high	79 Å²	79	42.1 Å²	42.1	37%	0.369	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.1	-171.6	-65	-65.8	-75.2	0	0	114.8	F99 R100 D101 T128 P130 S131	F99-Q103 PolarHBondContact O-NE2 3.26Å; R100-Q103 WeakPolarHBondContact O-CG 3.45Å; R100-Q103 PolarHBondContact O-NE2 3.39Å; R100-Q103 VanDerWaalsContact O-NE2 3.1Å; D101-Q103 PolarHBondContact O-N 2.71Å; Q103-T128 PolarHBondContact NE2-O 3.41Å; Q103-P130 VanDerWaalsContact OE1-CD 3.28Å; Q103-S131 WeakPolarHBondContact O-CB 3.17Å; Q103-S131 PolarHBondContact O-OG 2.79Å
104	L	96.6	Very high	96.2	Very high	101 Å²	101	40.1 Å²	40.1	53%	0.529	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	1.4	177.1	-60.9	178.2	0	0	0	114	L81 S102 E106	L81-L104 CarbonylContact O-C 3.28Å; L81-L104 VanDerWaalsContact O-C 3.28Å; S102-L104 PolarHBondContact O-N 3.08Å; S102-L104 VanDerWaalsContact O-N 3.09Å; L104-E106 PolarHBondContact O-N 2.98Å
105	L	97.8	Very high	96.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.			trans	-69.2	115.6	-175.8	-169.3	76.3	0	0	0	111.2	L81 I84 F99 S102 L108 L129 S131 L132	L81-L105 HydrophobicContact CB-CD1 4.29Å; L81-L105 VanDerWaalsContact O-CA 3.31Å; L81-L105 WeakPolarHBondContact O-CA 3.28Å; L81-L105 PolarHBondContact O-N 3.49Å; L81-L105 VanDerWaalsContact O-N 3.16Å; I84-L105 HydrophobicContact CB-CD1 4.1Å; I84-L105 HydrophobicContact CD1-CD1 3.63Å; I84-L105 HydrophobicContact CD1-CD2 3.99Å; I84-L105 HydrophobicContact CD1-CG 4.5Å; I84-L105 HydrophobicContact CG1-CD1 3.57Å; F99-L105 HydrophobicContact CD1-CD2 4.09Å; F99-L105 HydrophobicContact CE1-CD2 4.16Å; S102-L105 WeakPolarHBondContact O-CB 3.4Å; S102-L105 PolarHBondContact O-N 3.07Å; S102-L105 VanDerWaalsContact O-N 3.15Å; L105-L108 HydrophobicContact CD2-CB 4.18Å; L105-L108 HydrophobicContact CD2-CD1 4.38Å; L105-L108 HydrophobicContact CD2-CD2 4.39Å; L105-L129 HydrophobicContact CB-CD2 3.87Å; L105-L129 HydrophobicContact CD2-CD1 3.91Å; L105-L129 HydrophobicContact CD2-CD2 3.89Å; L105-L129 HydrophobicContact CG-CD2 4.49Å; L105-S131 CarbonylContact O-C 3.52Å; L105-L132 WeakPolarHBondContact O-CA 3.31Å; L105-L132 PolarHBondContact O-N 2.76Å
106	E	98.6	Very high	96.2	Very high	64 Å²	64	39.9 Å²	39.9	30%	0.299	20%	0.2	S	C	.	.			trans	-104.7	-24	178.9	-57.1	-154	138.2	0	0	113	I82 L104 S131 R133 F134	I82-E106 HydrophobicContact CG2-CB 4.2Å; I82-E106 HydrophobicContact CG2-CG 4.2Å; I82-E106 PolarHBondContact O-N 3.06Å; L104-E106 PolarHBondContact O-N 2.98Å; E106-S131 WeakPolarHBondContact CA-O 3.42Å; E106-R133 HydrophobicContact CB-CG 4.32Å; E106-R133 PolarHBondContact O-N 3.43Å; E106-R133 IonicContact OE1-CZ 2.86Å; E106-R133 IonicContact OE1-NE 3.32Å; E106-R133 PolarHBondContact OE1-NE 3.4Å; E106-R133 IonicContact OE1-NH2 3.33Å; E106-R133 PolarHBondContact OE1-NH2 3.23Å; E106-R133 IonicContact OE2-CZ 2.72Å; E106-R133 IonicContact OE2-NE 3.43Å; E106-R133 PolarHBondContact OE2-NE 2.89Å; E106-R133 IonicContact OE2-NH2 3.61Å; E106-F134 PolarHBondContact O-N 3.48Å
107	N	98.8	Very high	96.3	Very high	45 Å²	45	43.5 Å²	43.5	24%	0.241	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	121.3	-177.5	-176.4	-17.8	0	0	0	111.4	I82 T83 I84 F134	I82-N107 PolarHBondContact O-N 2.86Å; T83-N107 WeakPolarHBondContact CA-O 3.37Å; T83-N107 HydrophobicContact CG2-CB 4.2Å; I84-N107 PolarHBondContact N-O 2.77Å; N107-F134 WeakPolarHBondContact CA-O 3.36Å; N107-F134 HydrophobicContact CB-CB 4.24Å; N107-F134 VanDerWaalsContact OD1-CD1 3.24Å; N107-F134 WeakPolarHBondContact OD1-CD1 3.35Å
108	L	98.7	Very high	96.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	113.5	177.1	-179.2	58.2	0	0	0	110.8	I84 F99 L105 L110 L126 L129 L132 F134 L135 D136	I84-L108 HydrophobicContact CB-CD1 3.99Å; I84-L108 HydrophobicContact CG2-CD1 4.04Å; I84-L108 WeakPolarHBondContact O-CA 3.4Å; F99-L108 HydrophobicContact CE1-CD1 4.36Å; F99-L108 HydrophobicContact CE1-CD2 4.34Å; F99-L108 HydrophobicContact CE2-CD2 3.97Å; F99-L108 HydrophobicContact CZ-CD1 4.15Å; F99-L108 HydrophobicContact CZ-CD2 3.66Å; L105-L108 HydrophobicContact CD2-CB 4.18Å; L105-L108 HydrophobicContact CD2-CD1 4.38Å; L105-L108 HydrophobicContact CD2-CD2 4.39Å; L108-L110 HydrophobicContact CD1-CD2 3.94Å; L108-L110 HydrophobicContact CD1-CG 4.28Å; L108-L110 HydrophobicContact CD2-CD1 4.25Å; L108-L110 HydrophobicContact CD2-CG 4.43Å; L108-L110 HydrophobicContact CG-CD1 4.39Å; L108-L110 HydrophobicContact CG-CD2 4.25Å; L108-L110 HydrophobicContact CG-CG 4.04Å; L108-L126 HydrophobicContact CD2-CD2 3.6Å; L108-L129 HydrophobicContact CD2-CD1 4.09Å; L108-L132 HydrophobicContact CB-CD1 3.78Å; L108-F134 PolarHBondContact N-O 3.06Å; L108-L135 HydrophobicContact CB-CD1 4.35Å; L108-L135 HydrophobicContact CD2-CD1 4.38Å; L108-L135 HydrophobicContact CG-CD1 4.36Å; L108-L135 WeakPolarHBondContact O-CA 3.47Å; L108-D136 PolarHBondContact O-N 2.92Å
109	N	98.8	Very high	96.5	Very high	31 Å²	31	42.2 Å²	42.2	17%	0.166	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.4	174	-172.7	-43.9	0	0	0	111.1	I84 T85 L86 A111 D136	I84-N109 PolarHBondContact O-N 3.13Å; T85-N109 HydrophobicContact CG2-CB 3.91Å; L86-N109 PolarHBondContact N-O 2.94Å; N109-A111 WeakPolarHBondContact OD1-CB 3.48Å; N109-A111 PolarHBondContact OD1-N 3.25Å; N109-D136 HydrophobicContact CB-CB 4.2Å
110	L	98.6	Very high	96.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.			trans	-117	18.5	176.3	-57.2	177.5	0	0	0	112.2	L86 L91 L108 N113 D136 L137 N140	L86-L110 HydrophobicContact CB-CD2 4.17Å; L86-L110 HydrophobicContact CD1-CD2 3.89Å; L91-L110 HydrophobicContact CD2-CD2 3.98Å; L108-L110 HydrophobicContact CD1-CD2 3.94Å; L108-L110 HydrophobicContact CD1-CG 4.28Å; L108-L110 HydrophobicContact CD2-CD1 4.25Å; L108-L110 HydrophobicContact CD2-CG 4.43Å; L108-L110 HydrophobicContact CG-CD1 4.39Å; L108-L110 HydrophobicContact CG-CD2 4.25Å; L108-L110 HydrophobicContact CG-CG 4.04Å; L110-N113 PolarHBondContact O-ND2 2.99Å; L110-D136 CarbonylContact C-O 3.56Å; L110-D136 WeakPolarHBondContact CA-O 3.36Å; L110-D136 WeakPolarHBondContact CB-O 3.44Å; L110-D136 PolarHBondContact N-O 2.84Å; L110-L137 HydrophobicContact CB-CD2 4.27Å; L110-L137 HydrophobicContact CD1-CD2 4.08Å; L110-N140 PolarHBondContact O-ND2 3.31Å
111	A	98.8	Very high	96.9	Very high	11 Å²	11	43.4 Å²	43.4	9%	0.091	22%	0.223	C	C	.	.			trans	-57.9	147.1	-173.9	0	0	0	0	0	114.1	A87 C88 N109 N113 S138	A87-A111 CarbonylContact C-O 3.19Å; A87-A111 WeakPolarHBondContact CA-O 3.5Å; A87-A111 HydrophobicContact CB-CB 4.18Å; C88-A111 PolarHBondContact N-O 3.06Å; N109-A111 WeakPolarHBondContact OD1-CB 3.48Å; N109-A111 PolarHBondContact OD1-N 3.25Å; A111-N113 PolarHBondContact O-ND2 2.84Å; A111-S138 CarbonylContact C-O 3.25Å; A111-S138 WeakPolarHBondContact CA-O 3.35Å; A111-S138 VanDerWaalsContact CB-OG 3.31Å; A111-S138 WeakPolarHBondContact CB-OG 3.49Å
112	N	98.6	Very high	97.3	Very high	82 Å²	82	39.7 Å²	39.7	44%	0.439	20%	0.203	S	C	.	.	S	Bend	trans	52.7	65.1	177.2	-168.6	-3.2	0	0	0	112.6	C88 S138 E139	C88-N112 VanDerWaalsContact CA-O 3.24Å; C88-N112 WeakPolarHBondContact CA-O 3.36Å; C88-N112 PolarHBondContact N-O 3.47Å; C88-N112 PolarHBondContact SG-ND2 3.02Å; C88-N112 VanDerWaalsContact SG-ND2 3.43Å; N112-S138 PolarHBondContact N-O 3.34Å; N112-E139 WeakPolarHBondContact CA-O 3.24Å; N112-E139 HydrophobicContact CB-CB 3.92Å
113	N	98.7	Very high	97.7	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.011	20%	0.204	C	C	.	.	S	Bend	trans	-137.7	-162.7	179.6	-80	-56.8	0	0	0	109.6	L86 N89 G90 L91 L110 A111 I115 N140	L86-N113 PolarHBondContact O-ND2 2.98Å; N89-N113 WeakPolarHBondContact CA-OD1 3.46Å; N89-N113 WeakPolarHBondContact CB-OD1 3.44Å; N89-N113 PolarHBondContact N-OD1 3.49Å; G90-N113 PolarHBondContact N-OD1 3.31Å; L91-N113 HydrophobicContact CB-CB 4.04Å; L91-N113 WeakPolarHBondContact CB-OD1 3.39Å; L91-N113 PolarHBondContact N-OD1 3.39Å; L110-N113 PolarHBondContact O-ND2 2.99Å; A111-N113 PolarHBondContact O-ND2 2.84Å; N113-I115 HydrophobicContact CB-CG1 4.36Å; N113-N140 WeakPolarHBondContact CA-OD1 3.35Å; N113-N140 VanDerWaalsContact CB-OD1 3.27Å; N113-N140 WeakPolarHBondContact CB-OD1 3.48Å; N113-N140 PolarHBondContact O-OD1 2.91Å
114	N	98.2	Very high	97.9	Very high	34 Å²	34	40.5 Å²	40.5	18%	0.182	21%	0.21	C	C	.	.			trans	-123.2	39.3	179.9	-56.3	-62.8	0	0	0	110.9	G90 L91 E92 N116 I117 K141	G90-N114 WeakPolarHBondContact CA-ND2 3.39Å; G90-N114 PolarHBondContact O-ND2 2.9Å; L91-N114 CarbonylContact O-C 3.49Å; L91-N114 VanDerWaalsContact O-C 3.28Å; L91-N114 WeakPolarHBondContact O-CA 3.38Å; L91-N114 PolarHBondContact O-N 2.85Å; E92-N114 HydrophobicContact CG-CB 4.2Å; N114-N116 PolarHBondContact O-N 3.16Å; N114-N116 VanDerWaalsContact O-N 3.08Å; N114-N116 PolarHBondContact O-OD1 3.09Å; N114-I117 HydrophobicContact CB-CD1 3.77Å; N114-I117 HydrophobicContact CB-CG1 4.2Å; N114-I117 WeakPolarHBondContact O-CB 3.45Å; N114-I117 PolarHBondContact O-N 2.82Å; N114-K141 PolarHBondContact OD1-NZ 2.88Å
115	I	98.3	Very high	97.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-59.9	-22.7	-176.6	-64.5	-63.7	0	0	0	112	L91 V94 N113 I117 G118 F119 T122 L137 N140 L142 L150	L91-I115 HydrophobicContact CD2-CD1 4.06Å; L91-I115 HydrophobicContact CG-CD1 3.96Å; V94-I115 HydrophobicContact CG2-CD1 3.89Å; N113-I115 HydrophobicContact CB-CG1 4.36Å; I115-I117 PolarHBondContact O-N 2.9Å; I115-I117 VanDerWaalsContact O-N 3.07Å; I115-G118 CarbonylContact O-C 3.37Å; I115-G118 PolarHBondContact O-N 3.49Å; I115-F119 WeakPolarHBondContact O-CA 3.45Å; I115-F119 WeakPolarHBondContact O-CB 3.38Å; I115-F119 PolarHBondContact O-N 2.96Å; I115-T122 HydrophobicContact CD1-CG2 4.34Å; I115-T122 HydrophobicContact CG2-CG2 3.93Å; I115-L137 HydrophobicContact CG2-CD2 4.46Å; I115-N140 HydrophobicContact CB-CB 4.45Å; I115-N140 VanDerWaalsContact CB-OD1 3.31Å; I115-N140 WeakPolarHBondContact CB-OD1 3.4Å; I115-N140 WeakPolarHBondContact CG1-OD1 3.45Å; I115-N140 PolarHBondContact N-OD1 3.09Å; I115-N140 VanDerWaalsContact N-OD1 3.09Å; I115-L142 HydrophobicContact CG2-CD2 4.46Å; I115-L150 HydrophobicContact CG2-CD1 4.02Å; I115-L150 HydrophobicContact CG2-CD2 4.08Å
116	N	98.2	Very high	97.9	Very high	42 Å²	42	35.7 Å²	35.7	23%	0.225	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-54.8	-21.2	170.1	75.8	-70.3	0	0	0	114.7	N114 N140 K141 L142 M146	N114-N116 PolarHBondContact O-N 3.16Å; N114-N116 VanDerWaalsContact O-N 3.08Å; N114-N116 PolarHBondContact O-OD1 3.09Å; N116-N140 WeakPolarHBondContact CB-O 3.37Å; N116-N140 PolarHBondContact OD1-O 3.47Å; N116-K141 HydrophobicContact CB-CB 4.44Å; N116-L142 HydrophobicContact CB-CD2 4.21Å; N116-M146 HydrophobicContact CB-CE 4.49Å; N116-M146 HydrophobicContact CB-SD 3.76Å
117	I	97.5	Very high	97.7	Very high	106 Å²	106	36.6 Å²	36.6	54%	0.544	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-79.5	-35.3	177.1	-59.5	178.4	0	0	0	111.6	E92 N114 I115	E92-I117 HydrophobicContact CB-CB 4.42Å; E92-I117 HydrophobicContact CB-CD1 4.31Å; E92-I117 HydrophobicContact CB-CG2 4.44Å; E92-I117 HydrophobicContact CG-CD1 4.18Å; N114-I117 HydrophobicContact CB-CD1 3.77Å; N114-I117 HydrophobicContact CB-CG1 4.2Å; N114-I117 WeakPolarHBondContact O-CB 3.45Å; N114-I117 PolarHBondContact O-N 2.82Å; I115-I117 PolarHBondContact O-N 2.9Å; I115-I117 VanDerWaalsContact O-N 3.07Å
118	G	96.4	Very high	97.4	Very high	14 Å²	14	36.3 Å²	36.3	14%	0.144	19%	0.185	C	C	.	.	S	Bend	trans	-122.9	27.6	-172.3	0	0	0	0	0	114	E92 I115 E120 E121 T122	E92-G118 WeakPolarHBondContact O-CA 3.47Å; E92-G118 PolarHBondContact O-N 2.75Å; E92-G118 VanDerWaalsContact O-N 3.14Å; I115-G118 CarbonylContact O-C 3.37Å; I115-G118 PolarHBondContact O-N 3.49Å; G118-E120 PolarHBondContact O-N 3.02Å; G118-E121 PolarHBondContact O-N 2.8Å; G118-T122 WeakPolarHBondContact O-CB 3.49Å; G118-T122 PolarHBondContact O-N 2.98Å; G118-T122 PolarHBondContact O-OG1 3.36Å
119	F	97.5	Very high	97.3	Very high	34 Å²	34	36.6 Å²	36.6	15%	0.149	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-35.9	-167	76	-81.9	0	0	0	113.5	I115 T122 S123 M146 T149 L150	I115-F119 WeakPolarHBondContact O-CA 3.45Å; I115-F119 WeakPolarHBondContact O-CB 3.38Å; I115-F119 PolarHBondContact O-N 2.96Å; F119-T122 PolarHBondContact O-N 3.26Å; F119-S123 WeakPolarHBondContact O-CB 3.14Å; F119-S123 PolarHBondContact O-N 2.87Å; F119-M146 HydrophobicContact CB-CB 4.44Å; F119-M146 HydrophobicContact CD1-CE 4.15Å; F119-M146 HydrophobicContact CD1-CG 3.91Å; F119-M146 HydrophobicContact CD1-SD 4.3Å; F119-M146 HydrophobicContact CD2-CB 3.99Å; F119-M146 HydrophobicContact CD2-CG 3.96Å; F119-M146 HydrophobicContact CE1-CE 4.05Å; F119-M146 HydrophobicContact CE1-CG 4.03Å; F119-M146 HydrophobicContact CE2-CB 4.42Å; F119-M146 HydrophobicContact CE2-CG 4.07Å; F119-M146 HydrophobicContact CG-CB 4.1Å; F119-M146 HydrophobicContact CG-CG 3.88Å; F119-M146 HydrophobicContact CZ-CG 4.12Å; F119-T149 HydrophobicContact CD2-CG2 3.84Å; F119-T149 HydrophobicContact CE2-CG2 3.81Å; F119-L150 HydrophobicContact CB-CD1 4.19Å; F119-L150 HydrophobicContact CB-CD2 4.28Å; F119-L150 HydrophobicContact CB-CG 4.15Å; F119-L150 WeakPolarHBondContact O-CD2 3.39Å
120	E	97.2	Very high	97.1	Very high	134 Å²	134	38.6 Å²	38.6	63%	0.626	20%	0.201	S	C	*	.	H	α-helix	trans	-62	-51.1	177.5	-60.7	-175.8	145	0	0	112.3	G118 T122 S123 L124	G118-E120 PolarHBondContact O-N 3.02Å; E120-T122 VanDerWaalsContact C-N 3.3Å; E120-T122 PolarHBondContact O-N 2.93Å; E120-S123 WeakPolarHBondContact O-CB 3.24Å; E120-S123 PolarHBondContact O-N 3.15Å; E120-L124 PolarHBondContact O-N 2.84Å; E120-L124 VanDerWaalsContact O-N 3.14Å
121	E	96.6	Very high	97	Very high	55 Å²	55	40.2 Å²	40.2	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-71.7	-30.6	-178.8	-156.2	171.9	131.1	0	0	111.4	K93 V94 Q95 G118 L124 A125	K93-E121 WeakPolarHBondContact CE-OE1 3.47Å; K93-E121 WeakPolarHBondContact CE-OE2 3.46Å; K93-E121 VanDerWaalsContact NZ-CD 3.33Å; K93-E121 IonicContact NZ-OE1 2.61Å; K93-E121 PolarHBondContact NZ-OE1 3.03Å; K93-E121 IonicContact NZ-OE2 2.58Å; K93-E121 PolarHBondContact NZ-OE2 3.39Å; V94-E121 CarbonylContact O-C 3.6Å; Q95-E121 WeakPolarHBondContact CA-OE1 3.36Å; Q95-E121 WeakPolarHBondContact CG-OE1 3.38Å; G118-E121 PolarHBondContact O-N 2.8Å; E121-L124 PolarHBondContact O-N 3.5Å; E121-A125 PolarHBondContact O-N 2.67Å
122	T	97.3	Very high	97	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.5	-40.3	171.4	-53.1	0	0	0	0	111.6	V94 I115 G118 F119 E120 L124 A125 L126 L150	V94-T122 HydrophobicContact CB-CG2 3.94Å; V94-T122 HydrophobicContact CG2-CG2 3.86Å; I115-T122 HydrophobicContact CD1-CG2 4.34Å; I115-T122 HydrophobicContact CG2-CG2 3.93Å; G118-T122 WeakPolarHBondContact O-CB 3.49Å; G118-T122 PolarHBondContact O-N 2.98Å; G118-T122 PolarHBondContact O-OG1 3.36Å; F119-T122 PolarHBondContact O-N 3.26Å; E120-T122 VanDerWaalsContact C-N 3.3Å; E120-T122 PolarHBondContact O-N 2.93Å; T122-L124 VanDerWaalsContact C-N 3.34Å; T122-L124 PolarHBondContact O-N 2.92Å; T122-A125 WeakPolarHBondContact O-CB 3.27Å; T122-A125 PolarHBondContact O-N 3.38Å; T122-A125 VanDerWaalsContact O-N 3.15Å; T122-L126 HydrophobicContact CG2-CD1 4.25Å; T122-L126 HydrophobicContact CG2-CG 4.39Å; T122-L126 WeakPolarHBondContact O-CG 3.43Å; T122-L126 PolarHBondContact O-N 3.21Å; T122-L150 HydrophobicContact CG2-CD2 3.78Å
123	S	97.3	Very high	97	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-45.7	173.1	176.6	0	0	0	0	111.2	F119 E120 A125 L126 R127 T149	F119-S123 WeakPolarHBondContact O-CB 3.14Å; F119-S123 PolarHBondContact O-N 2.87Å; E120-S123 WeakPolarHBondContact O-CB 3.24Å; E120-S123 PolarHBondContact O-N 3.15Å; S123-A125 VanDerWaalsContact C-N 3.29Å; S123-A125 PolarHBondContact O-N 3.06Å; S123-L126 PolarHBondContact O-N 3Å; S123-R127 VanDerWaalsContact O-CG 3.27Å; S123-R127 WeakPolarHBondContact O-CG 3.42Å; S123-R127 PolarHBondContact O-N 3.5Å; S123-R127 VanDerWaalsContact O-N 3.1Å; S123-R127 PolarHBondContact OG-NE 3.34Å; S123-R127 PolarHBondContact OG-NH2 2.88Å; S123-T149 WeakPolarHBondContact CB-O 3.49Å; S123-T149 PolarHBondContact OG-O 3.08Å
124	L	97.3	Very high	97	Very high	94 Å²	94	44.1 Å²	44.1	49%	0.492	22%	0.22	S	C	.	.	H	α-helix	trans	-60.2	-39.3	175.3	-64.3	176.7	0	0	0	112	E120 E121 T122	E120-L124 PolarHBondContact O-N 2.84Å; E120-L124 VanDerWaalsContact O-N 3.14Å; E121-L124 PolarHBondContact O-N 3.5Å; T122-L124 VanDerWaalsContact C-N 3.34Å; T122-L124 PolarHBondContact O-N 2.92Å
125	A	97.1	Very high	97	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-47	176.1	0	0	0	0	0	112.5	V94 Q95 V98 F99 E121 T122 S123 R127 T128	V94-A125 HydrophobicContact CG1-CB 3.75Å; Q95-A125 WeakPolarHBondContact O-CB 3.38Å; V98-A125 HydrophobicContact CG1-CB 4.29Å; F99-A125 HydrophobicContact CD2-CB 4.08Å; F99-A125 HydrophobicContact CE2-CB 4.21Å; E121-A125 PolarHBondContact O-N 2.67Å; T122-A125 WeakPolarHBondContact O-CB 3.27Å; T122-A125 PolarHBondContact O-N 3.38Å; T122-A125 VanDerWaalsContact O-N 3.15Å; S123-A125 VanDerWaalsContact C-N 3.29Å; S123-A125 PolarHBondContact O-N 3.06Å; A125-R127 VanDerWaalsContact C-N 3.31Å; A125-R127 PolarHBondContact O-N 3.05Å; A125-T128 WeakPolarHBondContact O-CB 3.45Å; A125-T128 PolarHBondContact O-N 3.42Å; A125-T128 PolarHBondContact O-OG1 2.97Å
126	L	97	Very high	97.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-38	-179.5	-69.2	173	0	0	0	112	L108 T122 S123 T128 L129 L132 L135 L150 L154	L108-L126 HydrophobicContact CD2-CD2 3.6Å; T122-L126 HydrophobicContact CG2-CD1 4.25Å; T122-L126 HydrophobicContact CG2-CG 4.39Å; T122-L126 WeakPolarHBondContact O-CG 3.43Å; T122-L126 PolarHBondContact O-N 3.21Å; S123-L126 PolarHBondContact O-N 3Å; L126-T128 PolarHBondContact O-N 3.25Å; L126-L129 HydrophobicContact CD2-CD1 4.34Å; L126-L129 WeakPolarHBondContact O-CB 3.27Å; L126-L129 PolarHBondContact O-N 2.96Å; L126-L129 VanDerWaalsContact O-N 3.08Å; L126-L132 HydrophobicContact CD2-CD2 4.39Å; L126-L135 HydrophobicContact CD1-CD2 4.26Å; L126-L135 HydrophobicContact CD2-CD1 4.2Å; L126-L150 HydrophobicContact CD1-CD2 4.08Å; L126-L154 HydrophobicContact CB-CD1 4.24Å; L126-L154 HydrophobicContact CB-CD2 4Å; L126-L154 HydrophobicContact CD1-CD1 4.43Å; L126-L154 WeakPolarHBondContact O-CD2 3.29Å
127	R	94.8	Very high	97.1	Very high	84 Å²	84	41.1 Å²	41.1	32%	0.317	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-13.3	174.9	-68.6	172.6	-148.5	-130.8	12	114.5	S123 A125 L129 T149 Q152	S123-R127 VanDerWaalsContact O-CG 3.27Å; S123-R127 WeakPolarHBondContact O-CG 3.42Å; S123-R127 PolarHBondContact O-N 3.5Å; S123-R127 VanDerWaalsContact O-N 3.1Å; S123-R127 PolarHBondContact OG-NE 3.34Å; S123-R127 PolarHBondContact OG-NH2 2.88Å; A125-R127 VanDerWaalsContact C-N 3.31Å; A125-R127 PolarHBondContact O-N 3.05Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-T149 PolarHBondContact NH2-O 2.94Å; R127-Q152 WeakPolarHBondContact CG-O 3.32Å; R127-Q152 VanDerWaalsContact CZ-OE1 3.26Å; R127-Q152 VanDerWaalsContact NH1-CB 3.35Å
128	T	93.9	Very high	97.2	Very high	39 Å²	39	36.5 Å²	36.5	24%	0.239	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.3	175.7	69.3	0	0	0	0	114	Q103 A125 L126 P130	Q103-T128 PolarHBondContact NE2-O 3.41Å; A125-T128 WeakPolarHBondContact O-CB 3.45Å; A125-T128 PolarHBondContact O-N 3.42Å; A125-T128 PolarHBondContact O-OG1 2.97Å; L126-T128 PolarHBondContact O-N 3.25Å; T128-P130 WeakPolarHBondContact O-CD 3.43Å
129	L	95.6	Very high	97.3	Very high	6 Å²	6	40 Å²	40	3%	0.031	19%	0.194	C	C	.	.			trans	-103.6	92.6	-176.5	-67.7	172.8	0	0	0	112	F99 L105 L108 L126 R127 S131 L132	F99-L129 HydrophobicContact CB-CD1 4.43Å; F99-L129 HydrophobicContact CB-CD2 3.5Å; F99-L129 HydrophobicContact CB-CG 3.93Å; F99-L129 HydrophobicContact CD2-CD1 3.91Å; F99-L129 HydrophobicContact CD2-CG 4.22Å; F99-L129 HydrophobicContact CE2-CD1 4.32Å; F99-L129 HydrophobicContact CG-CD1 4.11Å; F99-L129 HydrophobicContact CG-CD2 3.98Å; F99-L129 HydrophobicContact CG-CG 4.17Å; L105-L129 HydrophobicContact CB-CD2 3.87Å; L105-L129 HydrophobicContact CD2-CD1 3.91Å; L105-L129 HydrophobicContact CD2-CD2 3.89Å; L105-L129 HydrophobicContact CG-CD2 4.49Å; L108-L129 HydrophobicContact CD2-CD1 4.09Å; L126-L129 HydrophobicContact CD2-CD1 4.34Å; L126-L129 WeakPolarHBondContact O-CB 3.27Å; L126-L129 PolarHBondContact O-N 2.96Å; L126-L129 VanDerWaalsContact O-N 3.08Å; R127-L129 VanDerWaalsContact C-N 3.32Å; L129-S131 VanDerWaalsContact C-N 3.25Å; L129-S131 PolarHBondContact O-N 2.98Å; L129-L132 HydrophobicContact CB-CB 3.94Å; L129-L132 HydrophobicContact CD1-CD1 4.44Å; L129-L132 HydrophobicContact CD1-CD2 4.07Å
130	P	94.3	Very high	97.3	Very high	73 Å²	73	38.4 Å²	38.4	47%	0.474	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.1	-179.1	28.9	-36.1	0	0	0	113	Q103 T128 S156	Q103-P130 VanDerWaalsContact OE1-CD 3.28Å; T128-P130 WeakPolarHBondContact O-CD 3.43Å; P130-S156 WeakPolarHBondContact O-CB 3.45Å; P130-S156 PolarHBondContact O-OG 3.27Å
131	S	96.9	Very high	97.4	Very high	34 Å²	34	36.5 Å²	36.5	24%	0.238	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	0.1	-169.6	-47.9	0	0	0	0	114.2	Q103 L105 E106 L129 R133	Q103-S131 WeakPolarHBondContact O-CB 3.17Å; Q103-S131 PolarHBondContact O-OG 2.79Å; L105-S131 CarbonylContact O-C 3.52Å; E106-S131 WeakPolarHBondContact CA-O 3.42Å; L129-S131 VanDerWaalsContact C-N 3.25Å; L129-S131 PolarHBondContact O-N 2.98Å; S131-R133 WeakPolarHBondContact O-CG 3.38Å; S131-R133 PolarHBondContact O-N 3.24Å
132	L	98.2	Very high	97.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	17%	0.165	C	C	.	.			trans	-67.3	117	-172.1	-175.9	67	0	0	0	111.8	L105 L108 L126 L129 F134 L135 S156 L157	L105-L132 WeakPolarHBondContact O-CA 3.31Å; L105-L132 PolarHBondContact O-N 2.76Å; L108-L132 HydrophobicContact CB-CD1 3.78Å; L126-L132 HydrophobicContact CD2-CD2 4.39Å; L129-L132 HydrophobicContact CB-CB 3.94Å; L129-L132 HydrophobicContact CD1-CD1 4.44Å; L129-L132 HydrophobicContact CD1-CD2 4.07Å; L132-F134 WeakPolarHBondContact CD1-O 3.31Å; L132-L135 HydrophobicContact CD2-CB 4.31Å; L132-L135 HydrophobicContact CD2-CD1 4.47Å; L132-L135 HydrophobicContact CD2-CD2 4.3Å; L132-S156 CarbonylContact O-C 3.34Å; L132-S156 VanDerWaalsContact O-C 3.23Å; L132-L157 HydrophobicContact CD2-CD1 4.31Å; L132-L157 HydrophobicContact CG-CD1 4.01Å; L132-L157 WeakPolarHBondContact O-CA 3.31Å; L132-L157 PolarHBondContact O-N 3.46Å
133	R	98.7	Very high	97.5	Very high	112 Å²	112	36 Å²	36	42%	0.423	18%	0.178	S	C	.	.			trans	-109.4	-32.4	179.8	-49.7	-167.3	-161.2	-161.5	12.2	113.3	E106 S131 L157 E158 Y159	E106-R133 HydrophobicContact CB-CG 4.32Å; E106-R133 PolarHBondContact O-N 3.43Å; E106-R133 IonicContact OE1-CZ 2.86Å; E106-R133 IonicContact OE1-NE 3.32Å; E106-R133 PolarHBondContact OE1-NE 3.4Å; E106-R133 IonicContact OE1-NH2 3.33Å; E106-R133 PolarHBondContact OE1-NH2 3.23Å; E106-R133 IonicContact OE2-CZ 2.72Å; E106-R133 IonicContact OE2-NE 3.43Å; E106-R133 PolarHBondContact OE2-NE 2.89Å; E106-R133 IonicContact OE2-NH2 3.61Å; S131-R133 WeakPolarHBondContact O-CG 3.38Å; S131-R133 PolarHBondContact O-N 3.24Å; R133-L157 WeakPolarHBondContact O-CD1 3.35Å; R133-E158 HydrophobicContact CB-CB 4.47Å; R133-E158 HydrophobicContact CB-CG 4.25Å; R133-E158 PolarHBondContact O-N 3Å; R133-Y159 PolarHBondContact O-N 2.91Å
134	F	98.9	Very high	97.5	Very high	62 Å²	62	37.9 Å²	37.9	27%	0.272	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.5	-177.7	-173.6	-74.7	0	0	0	109.8	E106 N107 L108 L132 D136 Y159	E106-F134 PolarHBondContact O-N 3.48Å; N107-F134 WeakPolarHBondContact CA-O 3.36Å; N107-F134 HydrophobicContact CB-CB 4.24Å; N107-F134 VanDerWaalsContact OD1-CD1 3.24Å; N107-F134 WeakPolarHBondContact OD1-CD1 3.35Å; L108-F134 PolarHBondContact N-O 3.06Å; L132-F134 WeakPolarHBondContact CD1-O 3.31Å; F134-D136 HydrophobicContact CE1-CB 4.22Å; F134-Y159 HydrophobicContact CD1-CD1 4.25Å; F134-Y159 AromaticContact CD2-CD1 3.31Å; F134-Y159 HydrophobicContact CD2-CD1 3.31Å; F134-Y159 HydrophobicContact CD2-CD2 4.34Å; F134-Y159 AromaticContact CD2-CE1 3.97Å; F134-Y159 HydrophobicContact CD2-CE1 3.97Å; F134-Y159 AromaticContact CD2-CG 3.54Å; F134-Y159 HydrophobicContact CD2-CG 3.54Å; F134-Y159 HydrophobicContact CE1-CD1 4.12Å; F134-Y159 HydrophobicContact CE1-CE1 4.07Å; F134-Y159 AromaticContact CE2-CD1 3.16Å; F134-Y159 HydrophobicContact CE2-CD1 3.16Å; F134-Y159 HydrophobicContact CE2-CD2 4.06Å; F134-Y159 AromaticContact CE2-CE1 3.3Å; F134-Y159 HydrophobicContact CE2-CE1 3.3Å; F134-Y159 HydrophobicContact CE2-CE2 4.2Å; F134-Y159 AromaticContact CE2-CG 3.59Å; F134-Y159 HydrophobicContact CE2-CG 3.59Å; F134-Y159 AromaticContact CE2-CZ 3.86Å; F134-Y159 AromaticContact CG-CD1 3.87Å; F134-Y159 HydrophobicContact CG-CD1 3.87Å; F134-Y159 HydrophobicContact CG-CG 4.38Å; F134-Y159 AromaticContact CZ-CD1 3.59Å; F134-Y159 HydrophobicContact CZ-CD1 3.59Å; F134-Y159 AromaticContact CZ-CE1 3.35Å; F134-Y159 HydrophobicContact CZ-CE1 3.35Å; F134-Y159 HydrophobicContact CZ-CG 4.44Å
135	L	98.9	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.7	177.5	179.3	58	0	0	0	110.3	L108 L126 L132 L137 L151 L154 L157 Y159 L160 N161	L108-L135 HydrophobicContact CB-CD1 4.35Å; L108-L135 HydrophobicContact CD2-CD1 4.38Å; L108-L135 HydrophobicContact CG-CD1 4.36Å; L108-L135 WeakPolarHBondContact O-CA 3.47Å; L126-L135 HydrophobicContact CD1-CD2 4.26Å; L126-L135 HydrophobicContact CD2-CD1 4.2Å; L132-L135 HydrophobicContact CD2-CB 4.31Å; L132-L135 HydrophobicContact CD2-CD1 4.47Å; L132-L135 HydrophobicContact CD2-CD2 4.3Å; L135-L137 HydrophobicContact CD1-CG 4.14Å; L135-L137 HydrophobicContact CD2-CD1 3.8Å; L135-L137 HydrophobicContact CD2-CG 4.29Å; L135-L137 HydrophobicContact CG-CD1 4.08Å; L135-L137 HydrophobicContact CG-CG 4.02Å; L135-L151 HydrophobicContact CD2-CD2 4.22Å; L135-L154 HydrophobicContact CD2-CD1 3.82Å; L135-L157 HydrophobicContact CB-CD1 3.56Å; L135-L157 HydrophobicContact CB-CD2 4.25Å; L135-Y159 PolarHBondContact N-O 2.92Å; L135-Y159 VanDerWaalsContact N-O 3.11Å; L135-L160 HydrophobicContact CB-CD1 4.31Å; L135-L160 HydrophobicContact CD2-CD1 4.31Å; L135-L160 HydrophobicContact CG-CD1 4.27Å; L135-L160 WeakPolarHBondContact O-CA 3.49Å; L135-N161 PolarHBondContact O-N 3.05Å
136	D	98.9	Very high	97.5	Very high	13 Å²	13	42.2 Å²	42.2	7%	0.07	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116	171.5	-159.6	-36.3	0	0	0	110.8	L108 N109 L110 F134 S138 N161	L108-D136 PolarHBondContact O-N 2.92Å; N109-D136 HydrophobicContact CB-CB 4.2Å; L110-D136 CarbonylContact C-O 3.56Å; L110-D136 WeakPolarHBondContact CA-O 3.36Å; L110-D136 WeakPolarHBondContact CB-O 3.44Å; L110-D136 PolarHBondContact N-O 2.84Å; F134-D136 HydrophobicContact CE1-CB 4.22Å; D136-S138 VanDerWaalsContact OD1-CB 3.27Å; D136-S138 WeakPolarHBondContact OD1-CB 3.37Å; D136-S138 PolarHBondContact OD1-N 3.03Å; D136-S138 PolarHBondContact OD1-OG 2.9Å; D136-N161 HydrophobicContact CB-CB 4.4Å; D136-N161 VanDerWaalsContact CG-ND2 3.27Å; D136-N161 PolarHBondContact OD1-ND2 3.12Å; D136-N161 VanDerWaalsContact OD1-ND2 3.12Å; D136-N161 PolarHBondContact OD2-ND2 3.01Å
137	L	98.8	Very high	97.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.			trans	-121.7	21.9	176.4	-75	170.6	0	0	0	111.1	L110 I115 L135 L142 L150 L151 N161 L162 N165	L110-L137 HydrophobicContact CB-CD2 4.27Å; L110-L137 HydrophobicContact CD1-CD2 4.08Å; I115-L137 HydrophobicContact CG2-CD2 4.46Å; L135-L137 HydrophobicContact CD1-CG 4.14Å; L135-L137 HydrophobicContact CD2-CD1 3.8Å; L135-L137 HydrophobicContact CD2-CG 4.29Å; L135-L137 HydrophobicContact CG-CD1 4.08Å; L135-L137 HydrophobicContact CG-CG 4.02Å; L137-L142 HydrophobicContact CB-CD1 4.06Å; L137-L142 HydrophobicContact CD1-CD1 4.47Å; L137-L150 HydrophobicContact CD1-CB 4.46Å; L137-L150 HydrophobicContact CD1-CD1 4.37Å; L137-L151 HydrophobicContact CD1-CD2 4.47Å; L137-N161 CarbonylContact C-O 3.28Å; L137-N161 WeakPolarHBondContact CA-O 3.4Å; L137-N161 PolarHBondContact N-O 2.86Å; L137-L162 HydrophobicContact CB-CD2 3.96Å; L137-L162 HydrophobicContact CD1-CD2 4.42Å; L137-N165 PolarHBondContact O-ND2 3.1Å
138	S	98.9	Very high	97.7	Very high	10 Å²	10	39.4 Å²	39.4	7%	0.07	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	156.4	178.4	56.9	0	0	0	0	113.2	A111 N112 D136 N140 N161 S163	A111-S138 CarbonylContact C-O 3.25Å; A111-S138 WeakPolarHBondContact CA-O 3.35Å; A111-S138 VanDerWaalsContact CB-OG 3.31Å; A111-S138 WeakPolarHBondContact CB-OG 3.49Å; N112-S138 PolarHBondContact N-O 3.34Å; D136-S138 VanDerWaalsContact OD1-CB 3.27Å; D136-S138 WeakPolarHBondContact OD1-CB 3.37Å; D136-S138 PolarHBondContact OD1-N 3.03Å; D136-S138 PolarHBondContact OD1-OG 2.9Å; S138-N140 PolarHBondContact O-N 3.15Å; S138-N140 VanDerWaalsContact O-N 3.12Å; S138-N140 PolarHBondContact O-ND2 3.47Å; S138-N161 WeakPolarHBondContact CB-ND2 3.39Å; S138-N161 PolarHBondContact N-O 2.97Å; S138-N161 PolarHBondContact OG-ND2 3.42Å; S138-S163 CarbonylContact C-O 3.59Å; S138-S163 WeakPolarHBondContact CA-O 3.36Å; S138-S163 WeakPolarHBondContact CB-O 3.37Å; S138-S163 WeakPolarHBondContact CB-OG 3.19Å
139	E	98.8	Very high	97.8	Very high	87 Å²	87	39 Å²	39	41%	0.407	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	33	174.5	-61.3	-76.2	176.5	0	0	113.6	N112 S163 G164	N112-E139 WeakPolarHBondContact CA-O 3.24Å; N112-E139 HydrophobicContact CB-CB 3.92Å; E139-S163 PolarHBondContact N-O 3.38Å; E139-G164 WeakPolarHBondContact CA-O 3.43Å
140	N	98.8	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-107.8	6.4	-175.5	-93.2	-82.7	0	0	0	114.7	L110 N113 I115 N116 S138 L142 N165	L110-N140 PolarHBondContact O-ND2 3.31Å; N113-N140 WeakPolarHBondContact CA-OD1 3.35Å; N113-N140 VanDerWaalsContact CB-OD1 3.27Å; N113-N140 WeakPolarHBondContact CB-OD1 3.48Å; N113-N140 PolarHBondContact O-OD1 2.91Å; I115-N140 HydrophobicContact CB-CB 4.45Å; I115-N140 VanDerWaalsContact CB-OD1 3.31Å; I115-N140 WeakPolarHBondContact CB-OD1 3.4Å; I115-N140 WeakPolarHBondContact CG1-OD1 3.45Å; I115-N140 PolarHBondContact N-OD1 3.09Å; I115-N140 VanDerWaalsContact N-OD1 3.09Å; N116-N140 WeakPolarHBondContact CB-O 3.37Å; N116-N140 PolarHBondContact OD1-O 3.47Å; S138-N140 PolarHBondContact O-N 3.15Å; S138-N140 VanDerWaalsContact O-N 3.12Å; S138-N140 PolarHBondContact O-ND2 3.47Å; N140-L142 HydrophobicContact CB-CD1 4.24Å; N140-L142 HydrophobicContact CB-CD2 4.28Å; N140-L142 HydrophobicContact CB-CG 3.88Å; N140-L142 PolarHBondContact O-N 2.9Å; N140-N165 VanDerWaalsContact C-OD1 3.28Å; N140-N165 WeakPolarHBondContact CA-OD1 3.45Å; N140-N165 PolarHBondContact N-OD1 3.07Å
141	K	98.4	Very high	98.1	Very high	94 Å²	94	35.4 Å²	35.4	41%	0.409	17%	0.174	S	C	.	.			trans	59.3	28.2	179.5	-51.7	141.7	-166.5	166	0	113.7	N114 N116 N165 L166	N114-K141 PolarHBondContact OD1-NZ 2.88Å; N116-K141 HydrophobicContact CB-CB 4.44Å; K141-N165 PolarHBondContact N-OD1 2.6Å; K141-L166 HydrophobicContact CB-CD1 4.08Å
142	L	98.6	Very high	98	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.			trans	-70.9	138	-178.8	-57	176.7	0	0	0	111.2	I115 N116 L137 N140 M146 L150 L162 N165 L166	I115-L142 HydrophobicContact CG2-CD2 4.46Å; N116-L142 HydrophobicContact CB-CD2 4.21Å; L137-L142 HydrophobicContact CB-CD1 4.06Å; L137-L142 HydrophobicContact CD1-CD1 4.47Å; N140-L142 HydrophobicContact CB-CD1 4.24Å; N140-L142 HydrophobicContact CB-CD2 4.28Å; N140-L142 HydrophobicContact CB-CG 3.88Å; N140-L142 PolarHBondContact O-N 2.9Å; L142-M146 HydrophobicContact CB-CB 4.47Å; L142-M146 HydrophobicContact CD2-CB 4.24Å; L142-L150 HydrophobicContact CD1-CD1 3.7Å; L142-L150 HydrophobicContact CD2-CD1 3.62Å; L142-L150 HydrophobicContact CG-CD1 4.3Å; L142-L162 HydrophobicContact CD1-CD2 4.08Å; L142-N165 HydrophobicContact CB-CB 4.26Å; L142-N165 WeakPolarHBondContact CG-OD1 3.4Å; L142-N165 PolarHBondContact N-OD1 2.89Å; L142-L166 CarbonylContact O-C 3.59Å; L142-L166 WeakPolarHBondContact O-CA 3.24Å; L142-L166 PolarHBondContact O-N 2.83Å
143	T	98.2	Very high	97.9	Very high	45 Å²	45	41.6 Å²	41.6	28%	0.276	20%	0.202	S	C	.	.			trans	-96.8	168.9	167.8	60.5	0	0	0	0	110.9	E145 M146 A147 L166	T143-E145 VanDerWaalsContact C-N 3.33Å; T143-E145 PolarHBondContact O-N 3.07Å; T143-M146 WeakPolarHBondContact O-CB 3.5Å; T143-M146 PolarHBondContact O-N 3.41Å; T143-M146 WeakPolarHBondContact OG1-CG 3.46Å; T143-A147 PolarHBondContact O-N 3.46Å; T143-L166 HydrophobicContact CG2-CB 4.49Å
144	D	96.5	Very high	97.8	Very high	41 Å²	41	36.6 Å²	36.6	22%	0.219	18%	0.184	C	C	.	.	H	α-helix	trans	-46.5	-51.7	-178.3	-48.5	-6.9	0	0	0	112.4	A147 S148 L167 Q168 R169	D144-A147 PolarHBondContact O-N 3.42Å; D144-S148 WeakPolarHBondContact O-CB 3.4Å; D144-S148 PolarHBondContact O-N 2.81Å; D144-L167 WeakPolarHBondContact OD1-CA 3.33Å; D144-Q168 PolarHBondContact OD1-N 3.47Å; D144-R169 PolarHBondContact OD2-N 3.47Å
145	E	96.7	Very high	97.7	Very high	146 Å²	146	36.3 Å²	36.3	68%	0.682	19%	0.189	S	C	*	.	H	α-helix	trans	-64.7	-38.7	178.3	-178.1	-179.3	-167.7	0	0	113.3	T143 T149	T143-E145 VanDerWaalsContact C-N 3.33Å; T143-E145 PolarHBondContact O-N 3.07Å; E145-T149 VanDerWaalsContact O-CB 3.25Å; E145-T149 WeakPolarHBondContact O-CB 3.36Å; E145-T149 PolarHBondContact O-N 3.23Å; E145-T149 PolarHBondContact O-OG1 2.66Å
146	M	98.1	Very high	97.6	Very high	38 Å²	38	37.8 Å²	37.8	19%	0.187	20%	0.2	C	C	.	.	H	α-helix	trans	-69.1	-43.4	179.1	-66.5	177.4	175.6	0	0	111.1	N116 F119 L142 T143 T149 L150	N116-M146 HydrophobicContact CB-CE 4.49Å; N116-M146 HydrophobicContact CB-SD 3.76Å; F119-M146 HydrophobicContact CB-CB 4.44Å; F119-M146 HydrophobicContact CD1-CE 4.15Å; F119-M146 HydrophobicContact CD1-CG 3.91Å; F119-M146 HydrophobicContact CD1-SD 4.3Å; F119-M146 HydrophobicContact CD2-CB 3.99Å; F119-M146 HydrophobicContact CD2-CG 3.96Å; F119-M146 HydrophobicContact CE1-CE 4.05Å; F119-M146 HydrophobicContact CE1-CG 4.03Å; F119-M146 HydrophobicContact CE2-CB 4.42Å; F119-M146 HydrophobicContact CE2-CG 4.07Å; F119-M146 HydrophobicContact CG-CB 4.1Å; F119-M146 HydrophobicContact CG-CG 3.88Å; F119-M146 HydrophobicContact CZ-CG 4.12Å; L142-M146 HydrophobicContact CB-CB 4.47Å; L142-M146 HydrophobicContact CD2-CB 4.24Å; T143-M146 WeakPolarHBondContact O-CB 3.5Å; T143-M146 PolarHBondContact O-N 3.41Å; T143-M146 WeakPolarHBondContact OG1-CG 3.46Å; M146-T149 PolarHBondContact O-N 3.28Å; M146-L150 WeakPolarHBondContact O-CB 3.23Å; M146-L150 WeakPolarHBondContact O-CD1 3.42Å; M146-L150 VanDerWaalsContact O-CG 3.25Å; M146-L150 WeakPolarHBondContact O-CG 3.47Å; M146-L150 PolarHBondContact O-N 2.99Å
147	A	97.9	Very high	97.6	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.033	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-49.2	176.7	0	0	0	0	0	111.1	T143 D144 T149 L150 L151 L162 L167	T143-A147 PolarHBondContact O-N 3.46Å; D144-A147 PolarHBondContact O-N 3.42Å; A147-T149 VanDerWaalsContact C-N 3.32Å; A147-T149 PolarHBondContact O-N 2.6Å; A147-L150 PolarHBondContact O-N 2.86Å; A147-L150 VanDerWaalsContact O-N 3.15Å; A147-L151 WeakPolarHBondContact O-CB 3.48Å; A147-L151 WeakPolarHBondContact O-CD1 3.2Å; A147-L151 WeakPolarHBondContact O-CG 3.49Å; A147-L151 PolarHBondContact O-N 2.72Å; A147-L151 VanDerWaalsContact O-N 3.13Å; A147-L162 HydrophobicContact CB-CD2 4.43Å; A147-L167 HydrophobicContact CB-CD2 3.8Å
148	S	96.9	Very high	97.6	Very high	21 Å²	21	39.8 Å²	39.8	15%	0.147	21%	0.209	C	C	.	.	H	α-helix	trans	-54.1	-48.4	174.6	179.4	0	0	0	0	111	D144 L150 L151 Q152	D144-S148 WeakPolarHBondContact O-CB 3.4Å; D144-S148 PolarHBondContact O-N 2.81Å; S148-L150 PolarHBondContact O-N 2.87Å; S148-L151 PolarHBondContact O-N 3.35Å; S148-Q152 WeakPolarHBondContact O-CG 3.46Å; S148-Q152 PolarHBondContact O-N 2.9Å
149	T	97.5	Very high	97.6	Very high	30 Å²	30	42.3 Å²	42.3	18%	0.184	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-43.2	176.1	-65.3	0	0	0	0	113.4	F119 S123 R127 E145 M146 A147 L151	F119-T149 HydrophobicContact CD2-CG2 3.84Å; F119-T149 HydrophobicContact CE2-CG2 3.81Å; S123-T149 WeakPolarHBondContact CB-O 3.49Å; S123-T149 PolarHBondContact OG-O 3.08Å; R127-T149 PolarHBondContact NH2-O 2.94Å; E145-T149 VanDerWaalsContact O-CB 3.25Å; E145-T149 WeakPolarHBondContact O-CB 3.36Å; E145-T149 PolarHBondContact O-N 3.23Å; E145-T149 PolarHBondContact O-OG1 2.66Å; M146-T149 PolarHBondContact O-N 3.28Å; A147-T149 VanDerWaalsContact C-N 3.32Å; A147-T149 PolarHBondContact O-N 2.6Å; T149-L151 VanDerWaalsContact C-N 3.28Å; T149-L151 PolarHBondContact O-N 2.74Å
150	L	97.9	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-29.4	179.9	-79.6	164	0	0	0	113.6	I115 F119 T122 L126 L137 L142 M146 A147 S148	I115-L150 HydrophobicContact CG2-CD1 4.02Å; I115-L150 HydrophobicContact CG2-CD2 4.08Å; F119-L150 HydrophobicContact CB-CD1 4.19Å; F119-L150 HydrophobicContact CB-CD2 4.28Å; F119-L150 HydrophobicContact CB-CG 4.15Å; F119-L150 WeakPolarHBondContact O-CD2 3.39Å; T122-L150 HydrophobicContact CG2-CD2 3.78Å; L126-L150 HydrophobicContact CD1-CD2 4.08Å; L137-L150 HydrophobicContact CD1-CB 4.46Å; L137-L150 HydrophobicContact CD1-CD1 4.37Å; L142-L150 HydrophobicContact CD1-CD1 3.7Å; L142-L150 HydrophobicContact CD2-CD1 3.62Å; L142-L150 HydrophobicContact CG-CD1 4.3Å; M146-L150 WeakPolarHBondContact O-CB 3.23Å; M146-L150 WeakPolarHBondContact O-CD1 3.42Å; M146-L150 VanDerWaalsContact O-CG 3.25Å; M146-L150 WeakPolarHBondContact O-CG 3.47Å; M146-L150 PolarHBondContact O-N 2.99Å; A147-L150 PolarHBondContact O-N 2.86Å; A147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 PolarHBondContact O-N 2.87Å
151	L	97.7	Very high	97.6	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-97.3	-6.4	-169.1	-64.1	168.3	0	0	0	114.7	L135 L137 A147 S148 T149 N153 L154 L160 L162 F175 L178	L135-L151 HydrophobicContact CD2-CD2 4.22Å; L137-L151 HydrophobicContact CD1-CD2 4.47Å; A147-L151 WeakPolarHBondContact O-CB 3.48Å; A147-L151 WeakPolarHBondContact O-CD1 3.2Å; A147-L151 WeakPolarHBondContact O-CG 3.49Å; A147-L151 PolarHBondContact O-N 2.72Å; A147-L151 VanDerWaalsContact O-N 3.13Å; S148-L151 PolarHBondContact O-N 3.35Å; T149-L151 VanDerWaalsContact C-N 3.28Å; T149-L151 PolarHBondContact O-N 2.74Å; L151-N153 PolarHBondContact O-N 3.33Å; L151-L154 HydrophobicContact CD2-CD1 4.2Å; L151-L154 WeakPolarHBondContact O-CG 3.41Å; L151-L154 PolarHBondContact O-N 3.42Å; L151-L160 HydrophobicContact CD1-CD2 3.73Å; L151-L160 HydrophobicContact CD2-CD1 3.86Å; L151-L160 HydrophobicContact CD2-CD2 3.65Å; L151-L160 HydrophobicContact CD2-CG 4.45Å; L151-L160 HydrophobicContact CG-CD2 4.35Å; L151-L162 HydrophobicContact CD1-CD1 4.1Å; L151-F175 HydrophobicContact CD1-CD1 4.04Å; L151-F175 HydrophobicContact CD1-CE1 3.99Å; L151-L178 HydrophobicContact CB-CD1 4.38Å; L151-L178 HydrophobicContact CB-CD2 4.37Å; L151-L178 HydrophobicContact CD1-CD1 4.33Å; L151-L178 HydrophobicContact CD2-CD1 4.4Å
152	Q	95.8	Very high	97.6	Very high	61 Å²	61	34.4 Å²	34.4	29%	0.285	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	136.6	-179.6	-68.5	177.4	11.5	0	0	112.4	R127 S148 L154 D177	R127-Q152 WeakPolarHBondContact CG-O 3.32Å; R127-Q152 VanDerWaalsContact CZ-OE1 3.26Å; R127-Q152 VanDerWaalsContact NH1-CB 3.35Å; S148-Q152 WeakPolarHBondContact O-CG 3.46Å; S148-Q152 PolarHBondContact O-N 2.9Å; Q152-L154 PolarHBondContact O-N 3.42Å; Q152-D177 WeakPolarHBondContact CA-OD2 3.21Å
153	N	95.1	Very high	97.7	Very high	105 Å²	105	35.1 Å²	35.1	56%	0.561	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	7.1	-177.7	-58.6	-17	0	0	0	117.1	L151 S155 D177	L151-N153 PolarHBondContact O-N 3.33Å; N153-S155 PolarHBondContact O-N 3.11Å; N153-D177 PolarHBondContact N-OD2 3.33Å
154	L	97.2	Very high	97.7	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.037	18%	0.181	C	C	.	.			trans	-77	51.3	179.2	-54.7	-171.5	0	0	0	113	L126 L135 L151 Q152 S156 L157 L178	L126-L154 HydrophobicContact CB-CD1 4.24Å; L126-L154 HydrophobicContact CB-CD2 4Å; L126-L154 HydrophobicContact CD1-CD1 4.43Å; L126-L154 WeakPolarHBondContact O-CD2 3.29Å; L135-L154 HydrophobicContact CD2-CD1 3.82Å; L151-L154 HydrophobicContact CD2-CD1 4.2Å; L151-L154 WeakPolarHBondContact O-CG 3.41Å; L151-L154 PolarHBondContact O-N 3.42Å; Q152-L154 PolarHBondContact O-N 3.42Å; L154-S156 VanDerWaalsContact C-N 3.28Å; L154-S156 PolarHBondContact O-N 3.35Å; L154-L157 WeakPolarHBondContact O-CB 3.4Å; L154-L157 PolarHBondContact O-N 3.44Å; L154-L157 VanDerWaalsContact O-N 3.12Å; L154-L178 HydrophobicContact CB-CD2 3.78Å; L154-L178 WeakPolarHBondContact O-CD2 3Å
155	S	96.1	Very high	97.8	Very high	55 Å²	55	31.9 Å²	31.9	39%	0.385	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.7	-168.3	60	0	0	0	0	115.6	N153 L157 D177 N180	N153-S155 PolarHBondContact O-N 3.11Å; S155-L157 VanDerWaalsContact C-N 3.34Å; S155-D177 WeakPolarHBondContact CA-O 3.4Å; S155-D177 WeakPolarHBondContact CB-O 3.48Å; S155-N180 WeakPolarHBondContact O-CB 3.4Å; S155-N180 PolarHBondContact O-ND2 2.95Å
156	S	97.6	Very high	97.9	Very high	31 Å²	31	28.6 Å²	28.6	22%	0.217	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.7	173.8	33.5	0	0	0	0	114.3	P130 L132 L154 E158	P130-S156 WeakPolarHBondContact O-CB 3.45Å; P130-S156 PolarHBondContact O-OG 3.27Å; L132-S156 CarbonylContact O-C 3.34Å; L132-S156 VanDerWaalsContact O-C 3.23Å; L154-S156 VanDerWaalsContact C-N 3.28Å; L154-S156 PolarHBondContact O-N 3.35Å; S156-E158 PolarHBondContact O-N 3.03Å
157	L	98.5	Very high	97.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.			trans	-67.2	131.1	-174.9	-161.8	71.7	0	0	0	111.9	L132 R133 L135 L154 S155 L160 L178 N180 L181	L132-L157 HydrophobicContact CD2-CD1 4.31Å; L132-L157 HydrophobicContact CG-CD1 4.01Å; L132-L157 WeakPolarHBondContact O-CA 3.31Å; L132-L157 PolarHBondContact O-N 3.46Å; R133-L157 WeakPolarHBondContact O-CD1 3.35Å; L135-L157 HydrophobicContact CB-CD1 3.56Å; L135-L157 HydrophobicContact CB-CD2 4.25Å; L154-L157 WeakPolarHBondContact O-CB 3.4Å; L154-L157 PolarHBondContact O-N 3.44Å; L154-L157 VanDerWaalsContact O-N 3.12Å; S155-L157 VanDerWaalsContact C-N 3.34Å; L157-L160 HydrophobicContact CD2-CB 3.89Å; L157-L160 HydrophobicContact CD2-CD1 4.15Å; L157-L160 HydrophobicContact CD2-CD2 4.29Å; L157-L160 HydrophobicContact CD2-CG 4.33Å; L157-L178 HydrophobicContact CB-CD2 4.43Å; L157-L178 HydrophobicContact CD2-CD1 4.47Å; L157-L178 HydrophobicContact CD2-CD2 4.24Å; L157-N180 CarbonylContact O-C 3.54Å; L157-L181 WeakPolarHBondContact O-CA 3.47Å; L157-L181 PolarHBondContact O-N 3.09Å; L157-L181 VanDerWaalsContact O-N 3.07Å
158	E	98.8	Very high	97.8	Very high	56 Å²	56	30.6 Å²	30.6	26%	0.262	17%	0.166	S	C	.	.			trans	-112.3	-30	179.6	-56.3	-160.8	143.1	0	0	112.7	R133 S156 K182 D183	R133-E158 HydrophobicContact CB-CB 4.47Å; R133-E158 HydrophobicContact CB-CG 4.25Å; R133-E158 PolarHBondContact O-N 3Å; S156-E158 PolarHBondContact O-N 3.03Å; E158-K182 HydrophobicContact CB-CD 4.31Å; E158-K182 VanDerWaalsContact CD-CE 3.48Å; E158-K182 PolarHBondContact O-N 3.43Å; E158-K182 WeakPolarHBondContact OE1-CE 3.31Å; E158-K182 IonicContact OE1-NZ 3.56Å; E158-K182 PolarHBondContact OE1-NZ 2.89Å; E158-K182 IonicContact OE2-NZ 2.73Å; E158-K182 PolarHBondContact OE2-NZ 3.1Å; E158-D183 PolarHBondContact O-N 2.95Å; E158-D183 VanDerWaalsContact O-N 3.09Å
159	Y	98.9	Very high	97.8	Very high	63 Å²	63	35.1 Å²	35.1	25%	0.247	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.2	176.8	177.4	-78.1	0	0	0	110.5	R133 F134 L135 N161 D183	R133-Y159 PolarHBondContact O-N 2.91Å; F134-Y159 HydrophobicContact CD1-CD1 4.25Å; F134-Y159 AromaticContact CD2-CD1 3.31Å; F134-Y159 HydrophobicContact CD2-CD1 3.31Å; F134-Y159 HydrophobicContact CD2-CD2 4.34Å; F134-Y159 AromaticContact CD2-CE1 3.97Å; F134-Y159 HydrophobicContact CD2-CE1 3.97Å; F134-Y159 AromaticContact CD2-CG 3.54Å; F134-Y159 HydrophobicContact CD2-CG 3.54Å; F134-Y159 HydrophobicContact CE1-CD1 4.12Å; F134-Y159 HydrophobicContact CE1-CE1 4.07Å; F134-Y159 AromaticContact CE2-CD1 3.16Å; F134-Y159 HydrophobicContact CE2-CD1 3.16Å; F134-Y159 HydrophobicContact CE2-CD2 4.06Å; F134-Y159 AromaticContact CE2-CE1 3.3Å; F134-Y159 HydrophobicContact CE2-CE1 3.3Å; F134-Y159 HydrophobicContact CE2-CE2 4.2Å; F134-Y159 AromaticContact CE2-CG 3.59Å; F134-Y159 HydrophobicContact CE2-CG 3.59Å; F134-Y159 AromaticContact CE2-CZ 3.86Å; F134-Y159 AromaticContact CG-CD1 3.87Å; F134-Y159 HydrophobicContact CG-CD1 3.87Å; F134-Y159 HydrophobicContact CG-CG 4.38Å; F134-Y159 AromaticContact CZ-CD1 3.59Å; F134-Y159 HydrophobicContact CZ-CD1 3.59Å; F134-Y159 AromaticContact CZ-CE1 3.35Å; F134-Y159 HydrophobicContact CZ-CE1 3.35Å; F134-Y159 HydrophobicContact CZ-CG 4.44Å; L135-Y159 PolarHBondContact N-O 2.92Å; L135-Y159 VanDerWaalsContact N-O 3.11Å; Y159-N161 HydrophobicContact CE1-CB 3.78Å; Y159-D183 WeakPolarHBondContact CA-O 3.37Å; Y159-D183 HydrophobicContact CD2-CB 3.48Å; Y159-D183 VanDerWaalsContact CD2-CB 3.48Å; Y159-D183 HydrophobicContact CE2-CB 4.11Å; Y159-D183 HydrophobicContact CG-CB 4.3Å
160	L	98.9	Very high	97.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.1	175.7	177.9	56.9	0	0	0	111.5	L135 L151 L157 L162 F175 L178 L181 D183 L184 D185	L135-L160 HydrophobicContact CB-CD1 4.31Å; L135-L160 HydrophobicContact CD2-CD1 4.31Å; L135-L160 HydrophobicContact CG-CD1 4.27Å; L135-L160 WeakPolarHBondContact O-CA 3.49Å; L151-L160 HydrophobicContact CD1-CD2 3.73Å; L151-L160 HydrophobicContact CD2-CD1 3.86Å; L151-L160 HydrophobicContact CD2-CD2 3.65Å; L151-L160 HydrophobicContact CD2-CG 4.45Å; L151-L160 HydrophobicContact CG-CD2 4.35Å; L157-L160 HydrophobicContact CD2-CB 3.89Å; L157-L160 HydrophobicContact CD2-CD1 4.15Å; L157-L160 HydrophobicContact CD2-CD2 4.29Å; L157-L160 HydrophobicContact CD2-CG 4.33Å; L160-L162 HydrophobicContact CD1-CG 4.08Å; L160-L162 HydrophobicContact CD2-CD1 3.79Å; L160-L162 HydrophobicContact CD2-CG 4.23Å; L160-L162 HydrophobicContact CG-CD1 4.1Å; L160-L162 HydrophobicContact CG-CG 4.01Å; L160-F175 HydrophobicContact CD2-CD1 4.44Å; L160-F175 HydrophobicContact CD2-CE1 4.33Å; L160-L178 HydrophobicContact CD2-CD1 3.74Å; L160-L181 HydrophobicContact CB-CD1 3.78Å; L160-D183 PolarHBondContact N-O 2.93Å; L160-L184 HydrophobicContact CB-CD1 3.98Å; L160-L184 HydrophobicContact CD2-CD1 3.91Å; L160-L184 HydrophobicContact CG-CD1 3.92Å; L160-L184 WeakPolarHBondContact O-CA 3.37Å; L160-D185 PolarHBondContact O-N 3.42Å
161	N	98.9	Very high	97.5	Very high	14 Å²	14	37.1 Å²	37.1	8%	0.075	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.8	169.4	-178.6	13.6	0	0	0	110.6	L135 D136 L137 S138 Y159 S163	L135-N161 PolarHBondContact O-N 3.05Å; D136-N161 HydrophobicContact CB-CB 4.4Å; D136-N161 VanDerWaalsContact CG-ND2 3.27Å; D136-N161 PolarHBondContact OD1-ND2 3.12Å; D136-N161 VanDerWaalsContact OD1-ND2 3.12Å; D136-N161 PolarHBondContact OD2-ND2 3.01Å; L137-N161 CarbonylContact C-O 3.28Å; L137-N161 WeakPolarHBondContact CA-O 3.4Å; L137-N161 PolarHBondContact N-O 2.86Å; S138-N161 WeakPolarHBondContact CB-ND2 3.39Å; S138-N161 PolarHBondContact N-O 2.97Å; S138-N161 PolarHBondContact OG-ND2 3.42Å; Y159-N161 HydrophobicContact CE1-CB 3.78Å; N161-S163 VanDerWaalsContact OD1-CB 3.3Å; N161-S163 WeakPolarHBondContact OD1-CB 3.06Å; N161-S163 PolarHBondContact OD1-N 3.03Å; N161-S163 PolarHBondContact OD1-OG 2.97Å
162	L	98.9	Very high	97.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.			trans	-123.7	16.8	176.2	-75.7	168.9	0	0	0	111.7	L137 L142 A147 L151 L160 N165 L167 F175 L184 D185 L186 N189	L137-L162 HydrophobicContact CB-CD2 3.96Å; L137-L162 HydrophobicContact CD1-CD2 4.42Å; L142-L162 HydrophobicContact CD1-CD2 4.08Å; A147-L162 HydrophobicContact CB-CD2 4.43Å; L151-L162 HydrophobicContact CD1-CD1 4.1Å; L160-L162 HydrophobicContact CD1-CG 4.08Å; L160-L162 HydrophobicContact CD2-CD1 3.79Å; L160-L162 HydrophobicContact CD2-CG 4.23Å; L160-L162 HydrophobicContact CG-CD1 4.1Å; L160-L162 HydrophobicContact CG-CG 4.01Å; L162-N165 VanDerWaalsContact C-ND2 3.34Å; L162-N165 PolarHBondContact O-ND2 2.88Å; L162-L167 HydrophobicContact CB-CD1 4.22Å; L162-L167 HydrophobicContact CD1-CD1 4.29Å; L162-F175 HydrophobicContact CD1-CE1 3.74Å; L162-F175 HydrophobicContact CD1-CZ 4.21Å; L162-L184 HydrophobicContact CD1-CD1 4.48Å; L162-D185 CarbonylContact C-O 3.26Å; L162-D185 WeakPolarHBondContact CA-O 3.44Å; L162-D185 PolarHBondContact N-O 3.04Å; L162-L186 HydrophobicContact CB-CD2 3.85Å; L162-L186 HydrophobicContact CD1-CD2 3.91Å; L162-N189 PolarHBondContact O-ND2 2.87Å
163	S	98.9	Very high	97.2	Very high	15 Å²	15	43.3 Å²	43.3	11%	0.105	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	153.7	-178.9	60.6	0	0	0	0	113.5	S138 E139 N161 N165 D185 Q187	S138-S163 CarbonylContact C-O 3.59Å; S138-S163 WeakPolarHBondContact CA-O 3.36Å; S138-S163 WeakPolarHBondContact CB-O 3.37Å; S138-S163 WeakPolarHBondContact CB-OG 3.19Å; E139-S163 PolarHBondContact N-O 3.38Å; N161-S163 VanDerWaalsContact OD1-CB 3.3Å; N161-S163 WeakPolarHBondContact OD1-CB 3.06Å; N161-S163 PolarHBondContact OD1-N 3.03Å; N161-S163 PolarHBondContact OD1-OG 2.97Å; S163-N165 VanDerWaalsContact C-N 3.28Å; S163-N165 PolarHBondContact O-N 3.18Å; S163-N165 PolarHBondContact O-ND2 2.84Å; S163-D185 PolarHBondContact N-O 2.87Å; S163-Q187 CarbonylContact C-O 3.39Å; S163-Q187 WeakPolarHBondContact CA-O 3.25Å; S163-Q187 VanDerWaalsContact CB-CG 3.49Å; S163-Q187 WeakPolarHBondContact CB-O 3.38Å
164	G	98.8	Very high	97.2	Very high	14 Å²	14	38.8 Å²	38.8	14%	0.144	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	25.1	178.9	0	0	0	0	0	114.7	E139 Q187 R188	E139-G164 WeakPolarHBondContact CA-O 3.43Å; G164-Q187 PolarHBondContact N-O 3.12Å; G164-R188 VanDerWaalsContact CA-O 3.28Å; G164-R188 WeakPolarHBondContact CA-O 3.05Å; G164-R188 PolarHBondContact N-O 2.83Å
165	N	98.8	Very high	97.2	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.199	C	C	.	.	S	Bend	trans	-102.2	-169.7	175.5	-77.5	-64.7	0	0	0	111.2	L137 N140 K141 L142 L162 S163 L167 N189	L137-N165 PolarHBondContact O-ND2 3.1Å; N140-N165 VanDerWaalsContact C-OD1 3.28Å; N140-N165 WeakPolarHBondContact CA-OD1 3.45Å; N140-N165 PolarHBondContact N-OD1 3.07Å; K141-N165 PolarHBondContact N-OD1 2.6Å; L142-N165 HydrophobicContact CB-CB 4.26Å; L142-N165 WeakPolarHBondContact CG-OD1 3.4Å; L142-N165 PolarHBondContact N-OD1 2.89Å; L162-N165 VanDerWaalsContact C-ND2 3.34Å; L162-N165 PolarHBondContact O-ND2 2.88Å; S163-N165 VanDerWaalsContact C-N 3.28Å; S163-N165 PolarHBondContact O-N 3.18Å; S163-N165 PolarHBondContact O-ND2 2.84Å; N165-L167 HydrophobicContact CB-CG 4.31Å; N165-N189 VanDerWaalsContact CA-OD1 3.26Å; N165-N189 WeakPolarHBondContact CA-OD1 3.48Å; N165-N189 WeakPolarHBondContact CB-OD1 3.3Å; N165-N189 PolarHBondContact N-OD1 3.03Å; N165-N189 PolarHBondContact O-OD1 2.86Å; N165-N189 VanDerWaalsContact O-OD1 3.1Å
166	L	98.4	Very high	97.2	Very high	77 Å²	77	41.7 Å²	41.7	40%	0.403	20%	0.201	S	C	.	.			trans	-111	32.9	-175.8	-59.6	176.9	0	0	0	111.6	K141 L142 T143 N189 I190	K141-L166 HydrophobicContact CB-CD1 4.08Å; L142-L166 CarbonylContact O-C 3.59Å; L142-L166 WeakPolarHBondContact O-CA 3.24Å; L142-L166 PolarHBondContact O-N 2.83Å; T143-L166 HydrophobicContact CG2-CB 4.49Å; L166-N189 PolarHBondContact N-OD1 3.36Å; L166-I190 HydrophobicContact CB-CD1 4.29Å; L166-I190 HydrophobicContact CD2-CD1 4.48Å
167	L	98.4	Very high	97.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	20%	0.196	C	C	.	.			trans	-71.5	130.1	-179.1	-55	176.1	0	0	0	110.7	D144 A147 L162 N165 L186 N189 I190 M191	D144-L167 WeakPolarHBondContact OD1-CA 3.33Å; A147-L167 HydrophobicContact CB-CD2 3.8Å; L162-L167 HydrophobicContact CB-CD1 4.22Å; L162-L167 HydrophobicContact CD1-CD1 4.29Å; N165-L167 HydrophobicContact CB-CG 4.31Å; L167-L186 HydrophobicContact CD1-CD2 3.55Å; L167-N189 HydrophobicContact CB-CB 4.09Å; L167-N189 VanDerWaalsContact CB-OD1 3.29Å; L167-N189 WeakPolarHBondContact CB-OD1 3.44Å; L167-N189 VanDerWaalsContact CG-OD1 3.23Å; L167-N189 WeakPolarHBondContact CG-OD1 3.27Å; L167-N189 PolarHBondContact N-OD1 2.04Å; L167-I190 CarbonylContact O-C 3.55Å; L167-I190 WeakPolarHBondContact O-CA 3.49Å; L167-I190 VanDerWaalsContact O-CG1 3.31Å; L167-I190 WeakPolarHBondContact O-CG1 3.48Å; L167-I190 PolarHBondContact O-N 3.13Å; L167-M191 HydrophobicContact CB-CE 4.4Å; L167-M191 WeakPolarHBondContact O-CA 3.37Å; L167-M191 PolarHBondContact O-N 3.15Å
168	Q	96.9	Very high	97.1	Very high	82 Å²	82	41.2 Å²	41.2	38%	0.383	20%	0.197	S	C	.	.			trans	-113.2	-44.2	-173.6	-77.1	173.6	76.1	0	0	112.6	D144 I190 M191 F192	D144-Q168 PolarHBondContact OD1-N 3.47Å; Q168-I190 HydrophobicContact CG-CD1 3.5Å; Q168-I190 HydrophobicContact CG-CG1 3.6Å; Q168-M191 CarbonylContact O-C 3.52Å; Q168-M191 VanDerWaalsContact O-CA 3.3Å; Q168-M191 WeakPolarHBondContact O-CA 3.5Å; Q168-F192 HydrophobicContact CB-CD1 4.36Å; Q168-F192 HydrophobicContact CB-CE1 3.83Å; Q168-F192 HydrophobicContact CG-CE1 4.25Å; Q168-F192 PolarHBondContact O-N 3.38Å
169	R	95.6	Very high	97	Very high	116 Å²	116	43 Å²	43	44%	0.438	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.5	-178.7	-55	177.3	78.3	-128.9	1.9	109.4	D144 F192 E193	D144-R169 PolarHBondContact OD2-N 3.47Å; R169-F192 HydrophobicContact CG-CE1 4.26Å; R169-F192 HydrophobicContact CG-CE2 3.89Å; R169-F192 HydrophobicContact CG-CZ 3.66Å; R169-E193 WeakPolarHBondContact CA-O 3.49Å; R169-E193 HydrophobicContact CG-CB 4.23Å; R169-E193 IonicContact CZ-OE1 3.55Å; R169-E193 IonicContact CZ-OE2 3.68Å; R169-E193 VanDerWaalsContact CZ-OE2 3.32Å; R169-E193 IonicContact NE-OE1 3.58Å; R169-E193 IonicContact NE-OE2 2.88Å; R169-E193 PolarHBondContact NE-OE2 3.32Å; R169-E193 IonicContact NH2-OE1 2.68Å; R169-E193 PolarHBondContact NH2-OE1 3.45Å; R169-E193 IonicContact NH2-OE2 3.19Å; R169-E193 PolarHBondContact NH2-OE2 2.92Å
170	L	95.7	Very high	97	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.4	168.3	-66.1	178	0	0	0	109.8	F175 L186 M191 E193 I194 D195 A197 F198	L170-F175 HydrophobicContact CD1-CE2 3.83Å; L170-F175 HydrophobicContact CD1-CZ 4.39Å; L170-F175 HydrophobicContact CD2-CE2 3.7Å; L170-F175 HydrophobicContact CD2-CZ 3.75Å; L170-F175 HydrophobicContact CG-CE2 4.34Å; L170-L186 HydrophobicContact CD1-CD1 3.87Å; L170-M191 HydrophobicContact CD1-CE 3.51Å; L170-M191 HydrophobicContact CD1-SD 3.58Å; L170-M191 VanDerWaalsContact CD1-SD 3.58Å; L170-M191 HydrophobicContact CD2-CE 4.23Å; L170-M191 HydrophobicContact CG-CE 3.69Å; L170-M191 HydrophobicContact CG-SD 3.81Å; L170-E193 PolarHBondContact N-O 2.94Å; L170-E193 VanDerWaalsContact N-O 3.11Å; L170-I194 HydrophobicContact CB-CG1 4.39Å; L170-I194 HydrophobicContact CB-CG2 4.27Å; L170-I194 HydrophobicContact CD1-CD1 4.41Å; L170-I194 HydrophobicContact CD1-CG1 4.26Å; L170-D195 PolarHBondContact O-N 2.94Å; L170-A197 HydrophobicContact CB-CB 3.66Å; L170-F198 HydrophobicContact CD1-CE1 4.42Å; L170-F198 HydrophobicContact CD1-CZ 3.85Å
171	D	94.1	Very high	97	Very high	67 Å²	67	42.4 Å²	42.4	36%	0.358	21%	0.206	S	C	.	.			trans	-128.2	174.7	178.1	69.1	18	0	0	0	112.2	T173 S174 D195 A197	D171-T173 PolarHBondContact O-N 2.87Å; D171-T173 WeakPolarHBondContact OD1-CA 3.36Å; D171-T173 VanDerWaalsContact OD1-CB 3.31Å; D171-T173 WeakPolarHBondContact OD1-CB 3.36Å; D171-T173 PolarHBondContact OD1-N 2.9Å; D171-T173 PolarHBondContact OD1-OG1 3.48Å; D171-S174 PolarHBondContact N-OG 2.89Å; D171-S174 VanDerWaalsContact O-CB 3.27Å; D171-S174 WeakPolarHBondContact O-CB 3.21Å; D171-S174 PolarHBondContact O-N 3Å; D171-S174 PolarHBondContact O-OG 2.94Å; D171-S174 VanDerWaalsContact O-OG 3.11Å; D171-S174 PolarHBondContact OD1-N 3.26Å; D171-S174 PolarHBondContact OD1-OG 3.49Å; D171-S174 VanDerWaalsContact OD1-OG 3.04Å; D171-D195 CarbonylContact C-O 3.51Å; D171-D195 VanDerWaalsContact CA-O 3.31Å; D171-D195 WeakPolarHBondContact CA-O 3.25Å; D171-A197 VanDerWaalsContact O-CA 3.28Å; D171-A197 WeakPolarHBondContact O-CA 3.25Å; D171-A197 VanDerWaalsContact O-CB 3.26Å; D171-A197 WeakPolarHBondContact O-CB 3.28Å
172	E	93.9	Very high	97	Very high	140 Å²	140	45 Å²	45	65%	0.654	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-15.3	176.5	60.4	174.1	-140	0	0	115.5
173	T	93.4	Very high	97	Very high	55 Å²	55	47.1 Å²	47.1	34%	0.337	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-24.5	177	81.6	0	0	0	0	112.6	D171 F175 R176	D171-T173 PolarHBondContact O-N 2.87Å; D171-T173 WeakPolarHBondContact OD1-CA 3.36Å; D171-T173 VanDerWaalsContact OD1-CB 3.31Å; D171-T173 WeakPolarHBondContact OD1-CB 3.36Å; D171-T173 PolarHBondContact OD1-N 2.9Å; D171-T173 PolarHBondContact OD1-OG1 3.48Å; T173-F175 PolarHBondContact O-N 3.47Å; T173-R176 PolarHBondContact O-N 3.49Å
174	S	95.4	Very high	97	Very high	11 Å²	11	46.7 Å²	46.7	8%	0.077	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-38.2	-162	-60.8	0	0	0	0	114.1	D171	D171-S174 PolarHBondContact N-OG 2.89Å; D171-S174 VanDerWaalsContact O-CB 3.27Å; D171-S174 WeakPolarHBondContact O-CB 3.21Å; D171-S174 PolarHBondContact O-N 3Å; D171-S174 PolarHBondContact O-OG 2.94Å; D171-S174 VanDerWaalsContact O-OG 3.11Å; D171-S174 PolarHBondContact OD1-N 3.26Å; D171-S174 PolarHBondContact OD1-OG 3.49Å; D171-S174 VanDerWaalsContact OD1-OG 3.04Å
175	F	96.9	Very high	97	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.022	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	18.3	-179.4	-54.2	-57.6	0	0	0	113.3	L151 L160 L162 L170 T173 D177 L178 L184 L186 F198 N201	L151-F175 HydrophobicContact CD1-CD1 4.04Å; L151-F175 HydrophobicContact CD1-CE1 3.99Å; L160-F175 HydrophobicContact CD2-CD1 4.44Å; L160-F175 HydrophobicContact CD2-CE1 4.33Å; L162-F175 HydrophobicContact CD1-CE1 3.74Å; L162-F175 HydrophobicContact CD1-CZ 4.21Å; L170-F175 HydrophobicContact CD1-CE2 3.83Å; L170-F175 HydrophobicContact CD1-CZ 4.39Å; L170-F175 HydrophobicContact CD2-CE2 3.7Å; L170-F175 HydrophobicContact CD2-CZ 3.75Å; L170-F175 HydrophobicContact CG-CE2 4.34Å; T173-F175 PolarHBondContact O-N 3.47Å; F175-D177 VanDerWaalsContact C-N 3.28Å; F175-D177 PolarHBondContact O-N 3.33Å; F175-D177 VanDerWaalsContact O-N 3.12Å; F175-L178 HydrophobicContact CB-CD1 4.17Å; F175-L178 HydrophobicContact CD1-CD1 3.89Å; F175-L178 HydrophobicContact CG-CD1 4.47Å; F175-L178 WeakPolarHBondContact O-CB 3.37Å; F175-L178 PolarHBondContact O-N 2.68Å; F175-L184 HydrophobicContact CD2-CD2 4.12Å; F175-L184 HydrophobicContact CE1-CD1 4.45Å; F175-L184 HydrophobicContact CE1-CD2 4.39Å; F175-L184 HydrophobicContact CE2-CD2 3.86Å; F175-L184 HydrophobicContact CG-CD2 4.49Å; F175-L184 HydrophobicContact CZ-CD2 4.02Å; F175-L186 HydrophobicContact CE2-CD1 4.26Å; F175-L186 HydrophobicContact CZ-CD1 4.15Å; F175-L186 HydrophobicContact CZ-CD2 4Å; F175-F198 AromaticContact CD2-CD1 3.91Å; F175-F198 HydrophobicContact CD2-CD1 3.91Å; F175-F198 AromaticContact CD2-CE1 3.62Å; F175-F198 HydrophobicContact CD2-CE1 3.62Å; F175-F198 HydrophobicContact CE2-CD1 4.35Å; F175-F198 AromaticContact CE2-CE1 3.61Å; F175-F198 HydrophobicContact CE2-CE1 3.61Å; F175-F198 HydrophobicContact CE2-CZ 4.35Å; F175-N201 PolarHBondContact O-ND2 3.3Å
176	R	96.1	Very high	97	Very high	117 Å²	117	47 Å²	47	44%	0.442	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-41.7	-167.2	-170.1	-169.6	63.5	-139.1	-14.2	114	T173 H179 S200	T173-R176 PolarHBondContact O-N 3.49Å; R176-H179 PolarHBondContact O-CE1 2.93Å; R176-H179 PolarHBondContact O-ND1 2.84Å; R176-S200 WeakPolarHBondContact O-CB 3.4Å
177	D	96.5	Very high	97	Very high	21 Å²	21	45.5 Å²	45.5	11%	0.112	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-3.6	-171.8	-50	-19.1	0	0	0	112.9	Q152 N153 S155 F175 H179	Q152-D177 WeakPolarHBondContact CA-OD2 3.21Å; N153-D177 PolarHBondContact N-OD2 3.33Å; S155-D177 WeakPolarHBondContact CA-O 3.4Å; S155-D177 WeakPolarHBondContact CB-O 3.48Å; F175-D177 VanDerWaalsContact C-N 3.28Å; F175-D177 PolarHBondContact O-N 3.33Å; F175-D177 VanDerWaalsContact O-N 3.12Å; D177-H179 VanDerWaalsContact C-N 3.32Å; D177-H179 PolarHBondContact O-N 2.87Å; D177-H179 VanDerWaalsContact O-N 3.07Å
178	L	97.8	Very high	97	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	24%	0.239	C	C	.	.			trans	-88	58	-172.6	-53.6	-176	0	0	0	112.6	L151 L154 L157 L160 F175 N180 L181 N201	L151-L178 HydrophobicContact CB-CD1 4.38Å; L151-L178 HydrophobicContact CB-CD2 4.37Å; L151-L178 HydrophobicContact CD1-CD1 4.33Å; L151-L178 HydrophobicContact CD2-CD1 4.4Å; L154-L178 HydrophobicContact CB-CD2 3.78Å; L154-L178 WeakPolarHBondContact O-CD2 3Å; L157-L178 HydrophobicContact CB-CD2 4.43Å; L157-L178 HydrophobicContact CD2-CD1 4.47Å; L157-L178 HydrophobicContact CD2-CD2 4.24Å; L160-L178 HydrophobicContact CD2-CD1 3.74Å; F175-L178 HydrophobicContact CB-CD1 4.17Å; F175-L178 HydrophobicContact CD1-CD1 3.89Å; F175-L178 HydrophobicContact CG-CD1 4.47Å; F175-L178 WeakPolarHBondContact O-CB 3.37Å; F175-L178 PolarHBondContact O-N 2.68Å; L178-N180 VanDerWaalsContact C-N 3.28Å; L178-N180 PolarHBondContact O-N 2.74Å; L178-L181 HydrophobicContact CB-CB 4.12Å; L178-L181 HydrophobicContact CB-CD2 4.27Å; L178-L181 HydrophobicContact CD1-CD2 4.07Å; L178-L181 VanDerWaalsContact O-CB 3.3Å; L178-L181 WeakPolarHBondContact O-CB 3.41Å; L178-L181 PolarHBondContact O-N 2.89Å; L178-N201 PolarHBondContact O-ND2 2.88Å
179	H	96.8	Very high	97.1	Very high	94 Å²	94	48.5 Å²	48.5	44%	0.435	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.6	-169.9	-53.2	-44.6	0	0	0	115.6	R176 D177 S200	R176-H179 PolarHBondContact O-CE1 2.93Å; R176-H179 PolarHBondContact O-ND1 2.84Å; D177-H179 VanDerWaalsContact C-N 3.32Å; D177-H179 PolarHBondContact O-N 2.87Å; D177-H179 VanDerWaalsContact O-N 3.07Å; H179-S200 PolarHBondContact ND1-O 3.24Å
180	N	98.1	Very high	97.2	Very high	50 Å²	50	45.9 Å²	45.9	27%	0.267	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-0.2	177.3	-75.3	-61.7	0	0	0	114.4	S155 L157 L178 K182 K203	S155-N180 WeakPolarHBondContact O-CB 3.4Å; S155-N180 PolarHBondContact O-ND2 2.95Å; L157-N180 CarbonylContact O-C 3.54Å; L178-N180 VanDerWaalsContact C-N 3.28Å; L178-N180 PolarHBondContact O-N 2.74Å; N180-K182 PolarHBondContact O-N 3.38Å; N180-K203 PolarHBondContact OD1-NZ 3.27Å
181	L	98.7	Very high	97.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.214	C	C	.	.			trans	-61.8	128.7	-174	-168.3	66.8	0	0	0	111.7	L157 L160 L178 D183 L184 K203 L204	L157-L181 WeakPolarHBondContact O-CA 3.47Å; L157-L181 PolarHBondContact O-N 3.09Å; L157-L181 VanDerWaalsContact O-N 3.07Å; L160-L181 HydrophobicContact CB-CD1 3.78Å; L178-L181 HydrophobicContact CB-CB 4.12Å; L178-L181 HydrophobicContact CB-CD2 4.27Å; L178-L181 HydrophobicContact CD1-CD2 4.07Å; L178-L181 VanDerWaalsContact O-CB 3.3Å; L178-L181 WeakPolarHBondContact O-CB 3.41Å; L178-L181 PolarHBondContact O-N 2.89Å; L181-D183 WeakPolarHBondContact CD1-O 3.27Å; L181-L184 HydrophobicContact CD2-CB 4.2Å; L181-L184 HydrophobicContact CD2-CD1 4.49Å; L181-L184 HydrophobicContact CD2-CD2 4.12Å; L181-K203 CarbonylContact O-C 3.45Å; L181-L204 HydrophobicContact CD2-CD1 4.01Å; L181-L204 HydrophobicContact CG-CD1 3.87Å; L181-L204 VanDerWaalsContact O-CA 3.32Å; L181-L204 WeakPolarHBondContact O-CA 3.45Å; L181-L204 PolarHBondContact O-N 2.59Å
182	K	98.8	Very high	97.3	Very high	67 Å²	67	46.6 Å²	46.6	29%	0.291	22%	0.215	S	C	.	.			trans	-112.3	-43.1	179.1	-58.5	171.7	-166.6	164.8	0	111.1	E158 N180 K203 L204 Q205 R206	E158-K182 HydrophobicContact CB-CD 4.31Å; E158-K182 VanDerWaalsContact CD-CE 3.48Å; E158-K182 PolarHBondContact O-N 3.43Å; E158-K182 WeakPolarHBondContact OE1-CE 3.31Å; E158-K182 IonicContact OE1-NZ 3.56Å; E158-K182 PolarHBondContact OE1-NZ 2.89Å; E158-K182 IonicContact OE2-NZ 2.73Å; E158-K182 PolarHBondContact OE2-NZ 3.1Å; N180-K182 PolarHBondContact O-N 3.38Å; K182-K203 WeakPolarHBondContact CA-O 3Å; K182-L204 CarbonylContact O-C 3.57Å; K182-L204 WeakPolarHBondContact O-CD1 3.41Å; K182-Q205 PolarHBondContact O-N 3.13Å; K182-R206 PolarHBondContact O-N 3.2Å
183	D	98.9	Very high	97.2	Very high	46 Å²	46	43.1 Å²	43.1	25%	0.246	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.3	-173.7	-71.2	-0.6	0	0	0	110.2	E158 Y159 L160 L181 R206	E158-D183 PolarHBondContact O-N 2.95Å; E158-D183 VanDerWaalsContact O-N 3.09Å; Y159-D183 WeakPolarHBondContact CA-O 3.37Å; Y159-D183 HydrophobicContact CD2-CB 3.48Å; Y159-D183 VanDerWaalsContact CD2-CB 3.48Å; Y159-D183 HydrophobicContact CE2-CB 4.11Å; Y159-D183 HydrophobicContact CG-CB 4.3Å; L160-D183 PolarHBondContact N-O 2.93Å; L181-D183 WeakPolarHBondContact CD1-O 3.27Å; D183-R206 HydrophobicContact CB-CB 4.49Å; D183-R206 WeakPolarHBondContact OD1-CB 3.5Å; D183-R206 WeakPolarHBondContact OD1-CD 3.2Å; D183-R206 WeakPolarHBondContact OD1-CG 3.2Å
184	L	98.9	Very high	97.2	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.026	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	118.3	179.9	178.8	55.4	0	0	0	110.9	L160 L162 F175 L181 L186 F198 L204 R206 L207 N208	L160-L184 HydrophobicContact CB-CD1 3.98Å; L160-L184 HydrophobicContact CD2-CD1 3.91Å; L160-L184 HydrophobicContact CG-CD1 3.92Å; L160-L184 WeakPolarHBondContact O-CA 3.37Å; L162-L184 HydrophobicContact CD1-CD1 4.48Å; F175-L184 HydrophobicContact CD2-CD2 4.12Å; F175-L184 HydrophobicContact CE1-CD1 4.45Å; F175-L184 HydrophobicContact CE1-CD2 4.39Å; F175-L184 HydrophobicContact CE2-CD2 3.86Å; F175-L184 HydrophobicContact CG-CD2 4.49Å; F175-L184 HydrophobicContact CZ-CD2 4.02Å; L181-L184 HydrophobicContact CD2-CB 4.2Å; L181-L184 HydrophobicContact CD2-CD1 4.49Å; L181-L184 HydrophobicContact CD2-CD2 4.12Å; L184-L186 HydrophobicContact CD1-CD1 4.33Å; L184-L186 HydrophobicContact CD1-CD2 4.47Å; L184-L186 HydrophobicContact CD1-CG 4.08Å; L184-L186 HydrophobicContact CD2-CD1 3.75Å; L184-L186 HydrophobicContact CD2-CG 4.4Å; L184-L186 HydrophobicContact CG-CD1 3.82Å; L184-L186 HydrophobicContact CG-CG 3.98Å; L184-F198 HydrophobicContact CD2-CD1 4.37Å; L184-F198 HydrophobicContact CD2-CE1 3.67Å; L184-L204 HydrophobicContact CB-CD1 3.73Å; L184-R206 PolarHBondContact N-O 3.03Å; L184-L207 HydrophobicContact CB-CD1 4.18Å; L184-L207 HydrophobicContact CD2-CD1 4.03Å; L184-L207 HydrophobicContact CG-CD1 4.09Å; L184-N208 PolarHBondContact O-N 3.25Å
185	D	98.9	Very high	96.9	Very high	24 Å²	24	46.8 Å²	46.8	13%	0.128	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.5	171.9	-158.7	-24.8	0	0	0	111.7	L160 L162 S163 Q187 N208	L160-D185 PolarHBondContact O-N 3.42Å; L162-D185 CarbonylContact C-O 3.26Å; L162-D185 WeakPolarHBondContact CA-O 3.44Å; L162-D185 PolarHBondContact N-O 3.04Å; S163-D185 PolarHBondContact N-O 2.87Å; D185-Q187 VanDerWaalsContact OD1-CB 3.3Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.27Å; D185-Q187 VanDerWaalsContact OD1-CG 3.22Å; D185-Q187 WeakPolarHBondContact OD1-CG 3.4Å; D185-Q187 PolarHBondContact OD1-N 2.98Å; D185-Q187 PolarHBondContact OD2-NE2 3.46Å; D185-N208 HydrophobicContact CB-CB 4.42Å; D185-N208 VanDerWaalsContact CG-ND2 3.29Å; D185-N208 PolarHBondContact OD1-ND2 2.9Å; D185-N208 PolarHBondContact OD2-ND2 2.03Å
186	L	98.8	Very high	96.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.236	C	C	.	.			trans	-123	15.1	179	-69.8	159.4	0	0	0	111.4	L162 L167 L170 F175 L184 N189 M191 F198 L207 N208 L209 N212	L162-L186 HydrophobicContact CB-CD2 3.85Å; L162-L186 HydrophobicContact CD1-CD2 3.91Å; L167-L186 HydrophobicContact CD1-CD2 3.55Å; L170-L186 HydrophobicContact CD1-CD1 3.87Å; F175-L186 HydrophobicContact CE2-CD1 4.26Å; F175-L186 HydrophobicContact CZ-CD1 4.15Å; F175-L186 HydrophobicContact CZ-CD2 4Å; L184-L186 HydrophobicContact CD1-CD1 4.33Å; L184-L186 HydrophobicContact CD1-CD2 4.47Å; L184-L186 HydrophobicContact CD1-CG 4.08Å; L184-L186 HydrophobicContact CD2-CD1 3.75Å; L184-L186 HydrophobicContact CD2-CG 4.4Å; L184-L186 HydrophobicContact CG-CD1 3.82Å; L184-L186 HydrophobicContact CG-CG 3.98Å; L186-N189 PolarHBondContact O-ND2 3.49Å; L186-M191 HydrophobicContact CB-CE 4.23Å; L186-M191 HydrophobicContact CD1-CE 4.29Å; L186-M191 HydrophobicContact CD2-CE 4.25Å; L186-F198 HydrophobicContact CD1-CZ 4.37Å; L186-L207 HydrophobicContact CD1-CD1 4.08Å; L186-N208 CarbonylContact C-O 3.43Å; L186-N208 WeakPolarHBondContact CA-O 3.48Å; L186-N208 WeakPolarHBondContact CB-O 3.08Å; L186-N208 PolarHBondContact N-O 3.44Å; L186-L209 HydrophobicContact CB-CD2 4.21Å; L186-L209 HydrophobicContact CD1-CD2 3.91Å; L186-N212 PolarHBondContact O-ND2 2.87Å
187	Q	98.7	Very high	96.3	Very high	47 Å²	47	44.2 Å²	44.2	22%	0.22	22%	0.216	C	C	.	.			trans	-61.4	155	-176.5	75.8	178.8	-79.9	0	0	112.4	S163 G164 D185 N189 N208 A210	S163-Q187 CarbonylContact C-O 3.39Å; S163-Q187 WeakPolarHBondContact CA-O 3.25Å; S163-Q187 VanDerWaalsContact CB-CG 3.49Å; S163-Q187 WeakPolarHBondContact CB-O 3.38Å; G164-Q187 PolarHBondContact N-O 3.12Å; D185-Q187 VanDerWaalsContact OD1-CB 3.3Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.27Å; D185-Q187 VanDerWaalsContact OD1-CG 3.22Å; D185-Q187 WeakPolarHBondContact OD1-CG 3.4Å; D185-Q187 PolarHBondContact OD1-N 2.98Å; D185-Q187 PolarHBondContact OD2-NE2 3.46Å; Q187-N189 VanDerWaalsContact C-N 3.28Å; Q187-N189 PolarHBondContact O-N 3.3Å; Q187-N189 PolarHBondContact O-ND2 3.21Å; Q187-N208 PolarHBondContact N-O 3.22Å; Q187-N208 PolarHBondContact NE2-ND2 3.11Å; Q187-A210 CarbonylContact C-O 3.23Å; Q187-A210 WeakPolarHBondContact CA-O 3.5Å; Q187-A210 HydrophobicContact CB-CB 4.32Å; Q187-A210 VanDerWaalsContact CB-O 3.25Å; Q187-A210 WeakPolarHBondContact CB-O 3.08Å
188	R	98.7	Very high	96.2	Very high	143 Å²	143	44 Å²	44	54%	0.54	21%	0.214	S	C	.	.	S	Bend	trans	57.3	40.2	176.2	-55.1	173.3	172.9	-150	-4.9	113.3	G164 A210 F211	G164-R188 VanDerWaalsContact CA-O 3.28Å; G164-R188 WeakPolarHBondContact CA-O 3.05Å; G164-R188 PolarHBondContact N-O 2.83Å; R188-A210 PolarHBondContact N-O 2.88Å; R188-F211 WeakPolarHBondContact CA-O 3.23Å; R188-F211 HydrophobicContact CB-CB 4.5Å; R188-F211 HydrophobicContact CG-CB 3.82Å; R188-F211 HydrophobicContact CG-CD2 4.39Å; R188-F211 HydrophobicContact CG-CG 4.27Å; R188-F211 PolarHBondContact N-O 2.71Å
189	N	98.8	Very high	95.9	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	24%	0.244	C	C	.	.	S	Bend	trans	-100.8	-173.7	166.4	-83.3	-85.3	0	0	0	109.1	L162 N165 L166 L167 L186 Q187 N212	L162-N189 PolarHBondContact O-ND2 2.87Å; N165-N189 VanDerWaalsContact CA-OD1 3.26Å; N165-N189 WeakPolarHBondContact CA-OD1 3.48Å; N165-N189 WeakPolarHBondContact CB-OD1 3.3Å; N165-N189 PolarHBondContact N-OD1 3.03Å; N165-N189 PolarHBondContact O-OD1 2.86Å; N165-N189 VanDerWaalsContact O-OD1 3.1Å; L166-N189 PolarHBondContact N-OD1 3.36Å; L167-N189 HydrophobicContact CB-CB 4.09Å; L167-N189 VanDerWaalsContact CB-OD1 3.29Å; L167-N189 WeakPolarHBondContact CB-OD1 3.44Å; L167-N189 VanDerWaalsContact CG-OD1 3.23Å; L167-N189 WeakPolarHBondContact CG-OD1 3.27Å; L167-N189 PolarHBondContact N-OD1 2.04Å; L186-N189 PolarHBondContact O-ND2 3.49Å; Q187-N189 VanDerWaalsContact C-N 3.28Å; Q187-N189 PolarHBondContact O-N 3.3Å; Q187-N189 PolarHBondContact O-ND2 3.21Å; N189-N212 VanDerWaalsContact CA-OD1 3.28Å; N189-N212 WeakPolarHBondContact CA-OD1 3.27Å; N189-N212 WeakPolarHBondContact CB-OD1 3.5Å; N189-N212 PolarHBondContact N-OD1 3.12Å; N189-N212 PolarHBondContact O-OD1 3.38Å
190	I	97.9	Very high	95.7	Very high	62 Å²	62	44.3 Å²	44.3	32%	0.318	24%	0.237	S	C	.	.			trans	-109	31.4	179	54.8	172.8	0	0	0	111.4	L166 L167 Q168 Y213	L166-I190 HydrophobicContact CB-CD1 4.29Å; L166-I190 HydrophobicContact CD2-CD1 4.48Å; L167-I190 CarbonylContact O-C 3.55Å; L167-I190 WeakPolarHBondContact O-CA 3.49Å; L167-I190 VanDerWaalsContact O-CG1 3.31Å; L167-I190 WeakPolarHBondContact O-CG1 3.48Å; L167-I190 PolarHBondContact O-N 3.13Å; Q168-I190 HydrophobicContact CG-CD1 3.5Å; Q168-I190 HydrophobicContact CG-CG1 3.6Å; I190-Y213 HydrophobicContact CB-CD2 4.39Å; I190-Y213 HydrophobicContact CB-CE2 4.4Å; I190-Y213 HydrophobicContact CG2-CE2 4.09Å
191	M	96.9	Very high	95.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.			trans	-77.9	125.9	-164.6	-166.2	-173.3	-60.9	0	0	112.1	L167 Q168 L170 L186 I194 L209 N212 Y213 L214	L167-M191 HydrophobicContact CB-CE 4.4Å; L167-M191 WeakPolarHBondContact O-CA 3.37Å; L167-M191 PolarHBondContact O-N 3.15Å; Q168-M191 CarbonylContact O-C 3.52Å; Q168-M191 VanDerWaalsContact O-CA 3.3Å; Q168-M191 WeakPolarHBondContact O-CA 3.5Å; L170-M191 HydrophobicContact CD1-CE 3.51Å; L170-M191 HydrophobicContact CD1-SD 3.58Å; L170-M191 VanDerWaalsContact CD1-SD 3.58Å; L170-M191 HydrophobicContact CD2-CE 4.23Å; L170-M191 HydrophobicContact CG-CE 3.69Å; L170-M191 HydrophobicContact CG-SD 3.81Å; L186-M191 HydrophobicContact CB-CE 4.23Å; L186-M191 HydrophobicContact CD1-CE 4.29Å; L186-M191 HydrophobicContact CD2-CE 4.25Å; M191-I194 HydrophobicContact CG-CG1 4.46Å; M191-I194 HydrophobicContact SD-CD1 3.77Å; M191-I194 HydrophobicContact SD-CG1 3.67Å; M191-L209 HydrophobicContact SD-CD2 4.42Å; M191-N212 HydrophobicContact CB-CB 4.23Å; M191-N212 WeakPolarHBondContact CB-OD1 3.29Å; M191-N212 PolarHBondContact N-OD1 3.2Å; M191-N212 VanDerWaalsContact N-OD1 3.11Å; M191-Y213 CarbonylContact O-C 3.42Å; M191-Y213 WeakPolarHBondContact O-CA 3.21Å; M191-Y213 WeakPolarHBondContact O-CB 3.4Å; M191-Y213 PolarHBondContact O-N 3.07Å; M191-L214 HydrophobicContact CB-CD2 4.49Å; M191-L214 HydrophobicContact CG-CD2 4.05Å; M191-L214 PolarHBondContact O-N 3.32Å; M191-L214 VanDerWaalsContact O-N 3.15Å; M191-L214 HydrophobicContact SD-CD2 4.31Å
192	F	94.3	Very high	95.6	Very high	87 Å²	87	46.1 Å²	46.1	38%	0.382	25%	0.251	S	S	.	.			trans	-119.9	-5.4	-179.2	62.6	-99.6	0	0	0	113.8	Q168 R169 P215	Q168-F192 HydrophobicContact CB-CD1 4.36Å; Q168-F192 HydrophobicContact CB-CE1 3.83Å; Q168-F192 HydrophobicContact CG-CE1 4.25Å; Q168-F192 PolarHBondContact O-N 3.38Å; R169-F192 HydrophobicContact CG-CE1 4.26Å; R169-F192 HydrophobicContact CG-CE2 3.89Å; R169-F192 HydrophobicContact CG-CZ 3.66Å; F192-P215 WeakPolarHBondContact O-CD 3.31Å
193	E	91.3	Very high	95.5	Very high	67 Å²	67	47.8 Å²	47.8	31%	0.313	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	139.8	-175.5	-164.7	177.2	164	0	0	111.5	R169 L170	R169-E193 WeakPolarHBondContact CA-O 3.49Å; R169-E193 HydrophobicContact CG-CB 4.23Å; R169-E193 IonicContact CZ-OE1 3.55Å; R169-E193 IonicContact CZ-OE2 3.68Å; R169-E193 VanDerWaalsContact CZ-OE2 3.32Å; R169-E193 IonicContact NE-OE1 3.58Å; R169-E193 IonicContact NE-OE2 2.88Å; R169-E193 PolarHBondContact NE-OE2 3.32Å; R169-E193 IonicContact NH2-OE1 2.68Å; R169-E193 PolarHBondContact NH2-OE1 3.45Å; R169-E193 IonicContact NH2-OE2 3.19Å; R169-E193 PolarHBondContact NH2-OE2 2.92Å; L170-E193 PolarHBondContact N-O 2.94Å; L170-E193 VanDerWaalsContact N-O 3.11Å
194	I	93.2	Very high	95.5	Very high	49 Å²	49	45.6 Å²	45.6	25%	0.251	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	120.4	172.7	-57.5	177.6	0	0	0	106.8	L170 M191 A197 F198 L209 L214	L170-I194 HydrophobicContact CB-CG1 4.39Å; L170-I194 HydrophobicContact CB-CG2 4.27Å; L170-I194 HydrophobicContact CD1-CD1 4.41Å; L170-I194 HydrophobicContact CD1-CG1 4.26Å; M191-I194 HydrophobicContact CG-CG1 4.46Å; M191-I194 HydrophobicContact SD-CD1 3.77Å; M191-I194 HydrophobicContact SD-CG1 3.67Å; I194-A197 HydrophobicContact CG2-CB 4.24Å; I194-F198 HydrophobicContact CG2-CD2 4.49Å; I194-F198 HydrophobicContact CG2-CE2 3.91Å; I194-L209 HydrophobicContact CD1-CD1 3.78Å; I194-L209 HydrophobicContact CD1-CD2 4.04Å; I194-L214 HydrophobicContact CD1-CD1 4.08Å; I194-L214 HydrophobicContact CD1-CD2 4.08Å; I194-L214 HydrophobicContact CG1-CD2 3.97Å
195	D	89.3	Confident	95.5	Very high	94 Å²	94	50.1 Å²	50.1	50%	0.503	27%	0.268	S	S	.	.			trans	-125	115.9	174.7	-175.1	-4.5	0	0	0	109.5	L170 D171 A197	L170-D195 PolarHBondContact O-N 2.94Å; D171-D195 CarbonylContact C-O 3.51Å; D171-D195 VanDerWaalsContact CA-O 3.31Å; D171-D195 WeakPolarHBondContact CA-O 3.25Å; D195-A197 PolarHBondContact O-N 3.49Å
196	S	88	Confident	95.5	Very high	67 Å²	67	55 Å²	55	47%	0.469	29%	0.285	S	S	.	.	S	Bend	trans	57.4	3.2	168.7	-54.4	0	0	0	0	117.5	F198 G199	S196-F198 VanDerWaalsContact C-N 3.27Å; S196-F198 PolarHBondContact O-N 2.97Å; S196-G199 PolarHBondContact O-N 2.92Å
197	A	92.9	Very high	95.5	Very high	2 Å²	2	55.3 Å²	55.3	2%	0.017	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.5	-161.2	0	0	0	0	0	117.1	L170 D171 I194 D195	L170-A197 HydrophobicContact CB-CB 3.66Å; D171-A197 VanDerWaalsContact O-CA 3.28Å; D171-A197 WeakPolarHBondContact O-CA 3.25Å; D171-A197 VanDerWaalsContact O-CB 3.26Å; D171-A197 WeakPolarHBondContact O-CB 3.28Å; I194-A197 HydrophobicContact CG2-CB 4.24Å; D195-A197 PolarHBondContact O-N 3.49Å
198	F	94.4	Very high	95.5	Very high	16 Å²	16	54.4 Å²	54.4	7%	0.07	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	6.5	-175.2	-53.5	-63.2	0	0	0	113.8	L170 F175 L184 L186 I194 S196 S200 N201 L204 L207 M222	L170-F198 HydrophobicContact CD1-CE1 4.42Å; L170-F198 HydrophobicContact CD1-CZ 3.85Å; F175-F198 AromaticContact CD2-CD1 3.91Å; F175-F198 HydrophobicContact CD2-CD1 3.91Å; F175-F198 AromaticContact CD2-CE1 3.62Å; F175-F198 HydrophobicContact CD2-CE1 3.62Å; F175-F198 HydrophobicContact CE2-CD1 4.35Å; F175-F198 AromaticContact CE2-CE1 3.61Å; F175-F198 HydrophobicContact CE2-CE1 3.61Å; F175-F198 HydrophobicContact CE2-CZ 4.35Å; L184-F198 HydrophobicContact CD2-CD1 4.37Å; L184-F198 HydrophobicContact CD2-CE1 3.67Å; L186-F198 HydrophobicContact CD1-CZ 4.37Å; I194-F198 HydrophobicContact CG2-CD2 4.49Å; I194-F198 HydrophobicContact CG2-CE2 3.91Å; S196-F198 VanDerWaalsContact C-N 3.27Å; S196-F198 PolarHBondContact O-N 2.97Å; F198-S200 PolarHBondContact O-N 2.8Å; F198-S200 VanDerWaalsContact O-N 3.13Å; F198-N201 WeakPolarHBondContact CA-OD1 3.5Å; F198-N201 PolarHBondContact O-N 2.64Å; F198-N201 VanDerWaalsContact O-N 3.08Å; F198-L204 HydrophobicContact CD1-CD2 4.2Å; F198-L207 HydrophobicContact CD2-CD2 4.3Å; F198-L207 HydrophobicContact CE1-CD1 4.24Å; F198-L207 HydrophobicContact CE1-CD2 4.47Å; F198-L207 HydrophobicContact CE2-CD2 3.75Å; F198-L207 HydrophobicContact CZ-CD1 4.01Å; F198-L207 HydrophobicContact CZ-CD2 3.85Å; F198-M222 HydrophobicContact CB-CE 3.4Å; F198-M222 HydrophobicContact CB-SD 4.07Å; F198-M222 HydrophobicContact CD1-CE 4.4Å; F198-M222 HydrophobicContact CD2-CE 3.61Å; F198-M222 HydrophobicContact CD2-SD 3.51Å; F198-M222 VanDerWaalsContact CD2-SD 3.51Å; F198-M222 HydrophobicContact CE2-CE 4.49Å; F198-M222 HydrophobicContact CE2-SD 4.3Å; F198-M222 HydrophobicContact CG-CE 3.54Å; F198-M222 HydrophobicContact CG-SD 4.06Å
199	G	90.8	Very high	95.5	Very high	62 Å²	62	47.7 Å²	47.7	64%	0.639	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.1	-177.4	0	0	0	0	0	114.7	S196	S196-G199 PolarHBondContact O-N 2.92Å
200	S	94.3	Very high	95.5	Very high	40 Å²	40	47.6 Å²	47.6	28%	0.28	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	6.6	178.5	-49.5	0	0	0	0	114.6	R176 H179 F198 P202	R176-S200 WeakPolarHBondContact O-CB 3.4Å; H179-S200 PolarHBondContact ND1-O 3.24Å; F198-S200 PolarHBondContact O-N 2.8Å; F198-S200 VanDerWaalsContact O-N 3.13Å; S200-P202 WeakPolarHBondContact O-CD 3.35Å
201	N	97	Very high	95.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.26	C	S	.	.			trans	-118.2	63.1	-174.3	-44.8	104	0	0	0	111.8	F175 L178 F198 K203 L204 Q224	F175-N201 PolarHBondContact O-ND2 3.3Å; L178-N201 PolarHBondContact O-ND2 2.88Å; F198-N201 WeakPolarHBondContact CA-OD1 3.5Å; F198-N201 PolarHBondContact O-N 2.64Å; F198-N201 VanDerWaalsContact O-N 3.08Å; N201-K203 PolarHBondContact O-N 2.87Å; N201-L204 HydrophobicContact CB-CB 4.3Å; N201-L204 WeakPolarHBondContact O-CB 3.46Å; N201-L204 PolarHBondContact O-N 2.89Å; N201-Q224 PolarHBondContact O-NE2 3Å; N201-Q224 VanDerWaalsContact O-NE2 3.08Å
202	P	96.1	Very high	95.6	Very high	87 Å²	87	48.9 Å²	48.9	57%	0.565	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-5.8	-172.5	31.1	-38.1	0	0	0	114.4	S200	S200-P202 WeakPolarHBondContact O-CD 3.35Å
203	K	98.1	Very high	95.8	Very high	103 Å²	103	50.8 Å²	50.8	45%	0.448	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	0.1	177.4	-59.4	-169.3	-169.8	175.3	0	113.9	N180 L181 K182 N201 Q205	N180-K203 PolarHBondContact OD1-NZ 3.27Å; L181-K203 CarbonylContact O-C 3.45Å; K182-K203 WeakPolarHBondContact CA-O 3Å; N201-K203 PolarHBondContact O-N 2.87Å; K203-Q205 PolarHBondContact O-N 3.12Å
204	L	98.6	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.252	C	S	.	.			trans	-67.6	113.7	-175.1	-168.5	76.8	0	0	0	110.7	L181 K182 L184 F198 N201 L207 M222 Q224 L225	L181-L204 HydrophobicContact CD2-CD1 4.01Å; L181-L204 HydrophobicContact CG-CD1 3.87Å; L181-L204 VanDerWaalsContact O-CA 3.32Å; L181-L204 WeakPolarHBondContact O-CA 3.45Å; L181-L204 PolarHBondContact O-N 2.59Å; K182-L204 CarbonylContact O-C 3.57Å; K182-L204 WeakPolarHBondContact O-CD1 3.41Å; L184-L204 HydrophobicContact CB-CD1 3.73Å; F198-L204 HydrophobicContact CD1-CD2 4.2Å; N201-L204 HydrophobicContact CB-CB 4.3Å; N201-L204 WeakPolarHBondContact O-CB 3.46Å; N201-L204 PolarHBondContact O-N 2.89Å; L204-L207 HydrophobicContact CD2-CB 4.25Å; L204-L207 HydrophobicContact CD2-CD1 4.46Å; L204-L207 HydrophobicContact CD2-CD2 4.44Å; L204-M222 HydrophobicContact CD2-CE 3.72Å; L204-Q224 WeakPolarHBondContact O-CG 3.41Å; L204-L225 HydrophobicContact CD2-CD2 4.14Å; L204-L225 HydrophobicContact CG-CD2 4.07Å; L204-L225 WeakPolarHBondContact O-CD2 3.21Å
205	Q	98.6	Very high	96	Very high	100 Å²	100	47.2 Å²	47.2	47%	0.467	25%	0.252	S	S	.	.			trans	-104.5	-29.4	-178.5	-72	175.6	-2.5	0	0	112.7	K182 K203 V226 V227	K182-Q205 PolarHBondContact O-N 3.13Å; K203-Q205 PolarHBondContact O-N 3.12Å; Q205-V226 HydrophobicContact CB-CB 4.47Å; Q205-V226 HydrophobicContact CB-CG2 4.13Å; Q205-V226 HydrophobicContact CG-CG2 4.12Å; Q205-V226 WeakPolarHBondContact O-CA 3.14Å; Q205-V226 PolarHBondContact O-N 3.36Å; Q205-V227 PolarHBondContact O-N 3.02Å
206	R	98.9	Very high	96.1	Very high	127 Å²	127	43.5 Å²	43.5	48%	0.479	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121.8	-177.6	-50.2	-179.1	73.6	84.1	0.8	110.3	K182 D183 L184 V227	K182-R206 PolarHBondContact O-N 3.2Å; D183-R206 HydrophobicContact CB-CB 4.49Å; D183-R206 WeakPolarHBondContact OD1-CB 3.5Å; D183-R206 WeakPolarHBondContact OD1-CD 3.2Å; D183-R206 WeakPolarHBondContact OD1-CG 3.2Å; L184-R206 PolarHBondContact N-O 3.03Å; R206-V227 WeakPolarHBondContact CA-O 3.48Å
207	L	98.8	Very high	96.3	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.5	177.7	178.4	58.6	0	0	0	110.2	L184 L186 F198 L204 L209 M222 L225 V227 L228 N229	L184-L207 HydrophobicContact CB-CD1 4.18Å; L184-L207 HydrophobicContact CD2-CD1 4.03Å; L184-L207 HydrophobicContact CG-CD1 4.09Å; L186-L207 HydrophobicContact CD1-CD1 4.08Å; F198-L207 HydrophobicContact CD2-CD2 4.3Å; F198-L207 HydrophobicContact CE1-CD1 4.24Å; F198-L207 HydrophobicContact CE1-CD2 4.47Å; F198-L207 HydrophobicContact CE2-CD2 3.75Å; F198-L207 HydrophobicContact CZ-CD1 4.01Å; F198-L207 HydrophobicContact CZ-CD2 3.85Å; L204-L207 HydrophobicContact CD2-CB 4.25Å; L204-L207 HydrophobicContact CD2-CD1 4.46Å; L204-L207 HydrophobicContact CD2-CD2 4.44Å; L207-L209 HydrophobicContact CD1-CD2 4.02Å; L207-L209 HydrophobicContact CD1-CG 4.32Å; L207-L209 HydrophobicContact CD2-CD1 4.24Å; L207-L209 HydrophobicContact CD2-CG 4.35Å; L207-L209 HydrophobicContact CG-CD1 4.45Å; L207-L209 HydrophobicContact CG-CD2 4.27Å; L207-L209 HydrophobicContact CG-CG 4.05Å; L207-M222 HydrophobicContact CD2-CE 4.14Å; L207-M222 HydrophobicContact CD2-SD 4.31Å; L207-L225 HydrophobicContact CB-CD1 4.21Å; L207-L225 HydrophobicContact CB-CD2 3.78Å; L207-L225 HydrophobicContact CD2-CD1 4.23Å; L207-V227 PolarHBondContact N-O 2.8Å; L207-L228 HydrophobicContact CB-CD1 4.11Å; L207-L228 HydrophobicContact CD2-CD1 4.04Å; L207-L228 HydrophobicContact CG-CD1 4.01Å; L207-N229 PolarHBondContact O-N 2.93Å
208	N	98.9	Very high	95.9	Very high	27 Å²	27	43.8 Å²	43.8	14%	0.144	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	109.6	177.1	-173.5	15.8	0	0	0	110.8	L184 D185 L186 Q187 A210	L184-N208 PolarHBondContact O-N 3.25Å; D185-N208 HydrophobicContact CB-CB 4.42Å; D185-N208 VanDerWaalsContact CG-ND2 3.29Å; D185-N208 PolarHBondContact OD1-ND2 2.9Å; D185-N208 PolarHBondContact OD2-ND2 2.03Å; L186-N208 CarbonylContact C-O 3.43Å; L186-N208 WeakPolarHBondContact CA-O 3.48Å; L186-N208 WeakPolarHBondContact CB-O 3.08Å; L186-N208 PolarHBondContact N-O 3.44Å; Q187-N208 PolarHBondContact N-O 3.22Å; Q187-N208 PolarHBondContact NE2-ND2 3.11Å; N208-A210 VanDerWaalsContact OD1-CB 3.25Å; N208-A210 WeakPolarHBondContact OD1-CB 3.28Å; N208-A210 PolarHBondContact OD1-N 3.13Å
209	L	98.7	Very high	95.4	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	25%	0.248	C	C	.	.			trans	-108.4	10.9	176.8	-58.4	174.6	0	0	0	111.8	L186 M191 I194 L207 N212 L214 L228 N229 A230 N233	L186-L209 HydrophobicContact CB-CD2 4.21Å; L186-L209 HydrophobicContact CD1-CD2 3.91Å; M191-L209 HydrophobicContact SD-CD2 4.42Å; I194-L209 HydrophobicContact CD1-CD1 3.78Å; I194-L209 HydrophobicContact CD1-CD2 4.04Å; L207-L209 HydrophobicContact CD1-CD2 4.02Å; L207-L209 HydrophobicContact CD1-CG 4.32Å; L207-L209 HydrophobicContact CD2-CD1 4.24Å; L207-L209 HydrophobicContact CD2-CG 4.35Å; L207-L209 HydrophobicContact CG-CD1 4.45Å; L207-L209 HydrophobicContact CG-CD2 4.27Å; L207-L209 HydrophobicContact CG-CG 4.05Å; L209-N212 WeakPolarHBondContact O-CB 3.49Å; L209-N212 PolarHBondContact O-ND2 2.94Å; L209-L214 HydrophobicContact CB-CD1 4.13Å; L209-L214 HydrophobicContact CD1-CD1 3.99Å; L209-L228 HydrophobicContact CD1-CD1 4.2Å; L209-N229 PolarHBondContact N-O 3.02Å; L209-A230 HydrophobicContact CB-CB 4.25Å; L209-N233 PolarHBondContact O-ND2 3.08Å
210	A	98.8	Very high	95.4	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	22%	0.221	C	C	.	.			trans	-61.2	152.8	-171.8	0	0	0	0	0	113.6	Q187 R188 N208 N212 S231	Q187-A210 CarbonylContact C-O 3.23Å; Q187-A210 WeakPolarHBondContact CA-O 3.5Å; Q187-A210 HydrophobicContact CB-CB 4.32Å; Q187-A210 VanDerWaalsContact CB-O 3.25Å; Q187-A210 WeakPolarHBondContact CB-O 3.08Å; R188-A210 PolarHBondContact N-O 2.88Å; N208-A210 VanDerWaalsContact OD1-CB 3.25Å; N208-A210 WeakPolarHBondContact OD1-CB 3.28Å; N208-A210 PolarHBondContact OD1-N 3.13Å; A210-N212 PolarHBondContact O-ND2 3.27Å; A210-S231 WeakPolarHBondContact CA-O 3.18Å
211	F	98.7	Very high	95.3	Very high	85 Å²	85	46.1 Å²	46.1	37%	0.373	22%	0.223	S	C	.	.	S	Bend	trans	56	53.2	-179	-56.4	-85.4	0	0	0	112.7	R188 S231 Y232	R188-F211 WeakPolarHBondContact CA-O 3.23Å; R188-F211 HydrophobicContact CB-CB 4.5Å; R188-F211 HydrophobicContact CG-CB 3.82Å; R188-F211 HydrophobicContact CG-CD2 4.39Å; R188-F211 HydrophobicContact CG-CG 4.27Å; R188-F211 PolarHBondContact N-O 2.71Å; F211-S231 PolarHBondContact N-O 3.07Å; F211-S231 VanDerWaalsContact N-O 3.1Å; F211-Y232 WeakPolarHBondContact CA-O 3.26Å; F211-Y232 HydrophobicContact CD1-CD1 4.24Å; F211-Y232 HydrophobicContact CD1-CD2 4.33Å; F211-Y232 AromaticContact CD1-CG 3.79Å; F211-Y232 HydrophobicContact CD1-CG 3.79Å; F211-Y232 AromaticContact CE1-CD1 3.64Å; F211-Y232 HydrophobicContact CE1-CD1 3.64Å; F211-Y232 AromaticContact CE1-CD2 3.65Å; F211-Y232 HydrophobicContact CE1-CD2 3.65Å; F211-Y232 HydrophobicContact CE1-CE1 4.17Å; F211-Y232 HydrophobicContact CE1-CE2 4.17Å; F211-Y232 AromaticContact CE1-CG 3.35Å; F211-Y232 HydrophobicContact CE1-CG 3.35Å; F211-Y232 AromaticContact CE2-CD2 3.88Å; F211-Y232 HydrophobicContact CE2-CD2 3.88Å; F211-Y232 HydrophobicContact CE2-CE2 4.45Å; F211-Y232 HydrophobicContact CE2-CG 4.3Å; F211-Y232 HydrophobicContact CG-CG 4.42Å; F211-Y232 HydrophobicContact CZ-CD1 4.19Å; F211-Y232 AromaticContact CZ-CD2 3.38Å; F211-Y232 HydrophobicContact CZ-CD2 3.38Å; F211-Y232 HydrophobicContact CZ-CE1 4.48Å; F211-Y232 AromaticContact CZ-CE2 3.73Å; F211-Y232 HydrophobicContact CZ-CE2 3.73Å; F211-Y232 AromaticContact CZ-CG 3.64Å; F211-Y232 HydrophobicContact CZ-CG 3.64Å; F211-Y232 PolarHBondContact N-O 3.08Å
212	N	98.7	Very high	95.1	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	23%	0.227	C	C	.	.	S	Bend	trans	-125.6	-170.9	174	-85.8	-77.5	0	0	0	110.1	L186 N189 M191 L209 A210 L214 Y232 N233	L186-N212 PolarHBondContact O-ND2 2.87Å; N189-N212 VanDerWaalsContact CA-OD1 3.28Å; N189-N212 WeakPolarHBondContact CA-OD1 3.27Å; N189-N212 WeakPolarHBondContact CB-OD1 3.5Å; N189-N212 PolarHBondContact N-OD1 3.12Å; N189-N212 PolarHBondContact O-OD1 3.38Å; M191-N212 HydrophobicContact CB-CB 4.23Å; M191-N212 WeakPolarHBondContact CB-OD1 3.29Å; M191-N212 PolarHBondContact N-OD1 3.2Å; M191-N212 VanDerWaalsContact N-OD1 3.11Å; L209-N212 WeakPolarHBondContact O-CB 3.49Å; L209-N212 PolarHBondContact O-ND2 2.94Å; A210-N212 PolarHBondContact O-ND2 3.27Å; N212-L214 HydrophobicContact CB-CG 4.37Å; N212-Y232 PolarHBondContact N-O 3.15Å; N212-N233 WeakPolarHBondContact CA-OD1 3.43Å; N212-N233 WeakPolarHBondContact CB-OD1 3.42Å; N212-N233 PolarHBondContact N-ND2 2.76Å; N212-N233 PolarHBondContact O-OD1 3.28Å
213	Y	97.6	Very high	95.1	Very high	128 Å²	128	44.3 Å²	44.3	50%	0.502	21%	0.209	S	C	.	.			trans	-113.4	19.6	-173.1	-66.9	-106.2	0	0	0	112.4	I190 M191 P215 N233 F234	I190-Y213 HydrophobicContact CB-CD2 4.39Å; I190-Y213 HydrophobicContact CB-CE2 4.4Å; I190-Y213 HydrophobicContact CG2-CE2 4.09Å; M191-Y213 CarbonylContact O-C 3.42Å; M191-Y213 WeakPolarHBondContact O-CA 3.21Å; M191-Y213 WeakPolarHBondContact O-CB 3.4Å; M191-Y213 PolarHBondContact O-N 3.07Å; Y213-P215 WeakPolarHBondContact O-CD 3.34Å; Y213-N233 PolarHBondContact N-OD1 3.09Å; Y213-F234 HydrophobicContact CD1-CD2 4.33Å; Y213-F234 AromaticContact CD1-CE2 3.61Å; Y213-F234 HydrophobicContact CD1-CE2 3.61Å; Y213-F234 HydrophobicContact CE1-CE2 4.13Å; Y213-F234 HydrophobicContact CG-CE2 4.13Å
214	L	96.3	Very high	95	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	20%	0.198	C	C	.	.			trans	-64.5	124.6	-173.8	-60.6	171.2	0	0	0	110.7	M191 I194 L209 N212 L217 N233 F234 I235	M191-L214 HydrophobicContact CB-CD2 4.49Å; M191-L214 HydrophobicContact CG-CD2 4.05Å; M191-L214 PolarHBondContact O-N 3.32Å; M191-L214 VanDerWaalsContact O-N 3.15Å; M191-L214 HydrophobicContact SD-CD2 4.31Å; I194-L214 HydrophobicContact CD1-CD1 4.08Å; I194-L214 HydrophobicContact CD1-CD2 4.08Å; I194-L214 HydrophobicContact CG1-CD2 3.97Å; L209-L214 HydrophobicContact CB-CD1 4.13Å; L209-L214 HydrophobicContact CD1-CD1 3.99Å; N212-L214 HydrophobicContact CB-CG 4.37Å; L214-L217 HydrophobicContact CD1-CD2 4.28Å; L214-N233 HydrophobicContact CB-CB 4.44Å; L214-N233 VanDerWaalsContact CB-OD1 3.27Å; L214-N233 WeakPolarHBondContact CB-OD1 3.37Å; L214-N233 WeakPolarHBondContact CG-OD1 3.33Å; L214-N233 PolarHBondContact N-OD1 3.37Å; L214-F234 CarbonylContact O-C 3.47Å; L214-F234 WeakPolarHBondContact O-CA 3.26Å; L214-F234 PolarHBondContact O-N 2.97Å; L214-I235 HydrophobicContact CB-CG1 4.25Å; L214-I235 PolarHBondContact O-N 3.18Å; L214-I235 VanDerWaalsContact O-N 3.12Å
215	P	92.9	Very high	94.9	Very high	39 Å²	39	41.5 Å²	41.5	25%	0.253	20%	0.198	S	C	.	.			trans	-84.9	-19.6	179.1	33.5	-34.8	0	0	0	113.1	F192 Y213 F234 I235 E236	F192-P215 WeakPolarHBondContact O-CD 3.31Å; Y213-P215 WeakPolarHBondContact O-CD 3.34Å; P215-F234 WeakPolarHBondContact CA-O 3.13Å; P215-I235 WeakPolarHBondContact O-CA 3.11Å; P215-E236 PolarHBondContact O-N 3.45Å
216	C	90.8	Very high	94.9	Very high	16 Å²	16	38.3 Å²	38.3	11%	0.108	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	158.4	-178	58.5	0	0	0	0	111.4	T218 W237	C216-T218 HydrophobicContact CB-CG2 4.24Å; C216-W237 WeakPolarHBondContact CA-O 3.48Å; C216-W237 HydrophobicContact CB-CE3 3.8Å; C216-W237 HydrophobicContact CB-CZ3 4.39Å
217	L	91.8	Very high	94.9	Very high	22 Å²	22	33.5 Å²	33.5	12%	0.115	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	90.4	165.8	-72.7	178.1	0	0	0	108.4	L214 A230 I235 W237 F238 I239	L214-L217 HydrophobicContact CD1-CD2 4.28Å; L217-A230 HydrophobicContact CD1-CB 3.85Å; L217-I235 HydrophobicContact CD1-CD1 3.77Å; L217-I235 HydrophobicContact CG-CD1 3.96Å; L217-W237 PolarHBondContact N-O 3.43Å; L217-F238 HydrophobicContact CB-CD2 3.82Å; L217-F238 HydrophobicContact CB-CE2 4.34Å; L217-F238 HydrophobicContact CD1-CD2 4.06Å; L217-F238 HydrophobicContact CD1-CE2 4.29Å; L217-F238 CarbonylContact O-C 3.1Å; L217-F238 WeakPolarHBondContact O-CA 3.3Å; L217-I239 PolarHBondContact O-N 2.96Å
218	T	85.9	Confident	94.9	Very high	53 Å²	53	33.3 Å²	33.3	33%	0.325	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	154.2	-178.3	52.6	0	0	0	0	111.8	C216 F220 I239	C216-T218 HydrophobicContact CB-CG2 4.24Å; T218-F220 VanDerWaalsContact C-N 3.27Å; T218-F220 PolarHBondContact O-N 2.81Å; T218-I239 CarbonylContact C-O 3.56Å; T218-I239 HydrophobicContact CG2-CD1 4.15Å; T218-I239 HydrophobicContact CG2-CG1 4.36Å
219	D	83.6	Confident	94.9	Very high	79 Å²	79	34 Å²	34	42%	0.422	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	60.5	32.3	178.8	-159.5	34.1	0	0	0	113.8	H221 I239 R241	D219-H221 PolarHBondContact O-CD2 3.41Å; D219-H221 PolarHBondContact O-N 2.92Å; D219-H221 VanDerWaalsContact O-N 3.1Å; D219-I239 PolarHBondContact N-O 3.02Å; D219-R241 WeakPolarHBondContact OD1-CG 3.31Å; D219-R241 IonicContact OD1-CZ 3.49Å; D219-R241 IonicContact OD1-NE 2.95Å; D219-R241 PolarHBondContact OD1-NE 3.23Å; D219-R241 IonicContact OD1-NH2 2.91Å; D219-R241 PolarHBondContact OD1-NH2 2.89Å; D219-R241 IonicContact OD2-CZ 2.93Å; D219-R241 IonicContact OD2-NE 3.93Å; D219-R241 IonicContact OD2-NH2 3.17Å; D219-R241 PolarHBondContact OD2-NH2 3Å
220	F	90.3	Very high	94.9	Very high	18 Å²	18	33.8 Å²	33.8	8%	0.079	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	114.2	-177.2	177.6	-97.2	0	0	0	111.3	T218 M222 L225 L228 F238 I239 S240 R241 F248 L250	T218-F220 VanDerWaalsContact C-N 3.27Å; T218-F220 PolarHBondContact O-N 2.81Å; F220-M222 HydrophobicContact CD2-CB 4.47Å; F220-M222 HydrophobicContact CD2-CG 4.46Å; F220-M222 HydrophobicContact CE2-CB 3.77Å; F220-M222 HydrophobicContact CE2-CG 4.09Å; F220-M222 HydrophobicContact CE2-SD 4.08Å; F220-M222 HydrophobicContact CZ-CB 3.89Å; F220-L225 HydrophobicContact CE2-CD1 3.95Å; F220-L225 HydrophobicContact CZ-CD1 3.96Å; F220-L228 HydrophobicContact CD2-CD2 4.42Å; F220-L228 HydrophobicContact CE2-CD2 3.78Å; F220-L228 HydrophobicContact CZ-CD2 4.13Å; F220-F238 HydrophobicContact CB-CE2 4.48Å; F220-F238 HydrophobicContact CB-CZ 4.13Å; F220-F238 HydrophobicContact CD1-CE1 4.47Å; F220-F238 AromaticContact CD1-CZ 3.73Å; F220-F238 HydrophobicContact CD1-CZ 3.73Å; F220-F238 HydrophobicContact CD2-CE2 4.46Å; F220-F238 HydrophobicContact CD2-CZ 4.42Å; F220-F238 HydrophobicContact CE1-CZ 4.21Å; F220-F238 HydrophobicContact CG-CE2 4.25Å; F220-F238 AromaticContact CG-CZ 3.84Å; F220-F238 HydrophobicContact CG-CZ 3.84Å; F220-I239 PolarHBondContact N-O 3.41Å; F220-S240 VanDerWaalsContact O-CA 3.3Å; F220-S240 WeakPolarHBondContact O-CA 3.42Å; F220-S240 WeakPolarHBondContact O-CB 3.44Å; F220-R241 PolarHBondContact O-N 3.46Å; F220-F248 HydrophobicContact CD1-CD1 4.33Å; F220-F248 AromaticContact CD1-CE1 3.72Å; F220-F248 HydrophobicContact CD1-CE1 3.72Å; F220-F248 AromaticContact CE1-CD1 3.82Å; F220-F248 HydrophobicContact CE1-CD1 3.82Å; F220-F248 AromaticContact CE1-CE1 3.63Å; F220-F248 HydrophobicContact CE1-CE1 3.63Å; F220-L250 HydrophobicContact CE1-CD2 4.35Å
221	H	91.9	Very high	94.9	Very high	70 Å²	70	34 Å²	34	32%	0.324	17%	0.173	S	C	.	.			trans	-129.5	19.8	-172.7	66	68	0	0	0	113.2	D219 T223 R241 L244	D219-H221 PolarHBondContact O-CD2 3.41Å; D219-H221 PolarHBondContact O-N 2.92Å; D219-H221 VanDerWaalsContact O-N 3.1Å; H221-T223 PolarHBondContact O-N 3.37Å; H221-T223 VanDerWaalsContact O-N 3.11Å; H221-R241 HydrophobicContact CB-CB 4.46Å; H221-R241 PolarHBondContact CD2-NH2 2.91Å; H221-L244 HydrophobicContact CB-CD1 3.77Å
222	M	93.2	Very high	94.9	Very high	16 Å²	16	34.9 Å²	34.9	8%	0.079	18%	0.175	C	C	.	.			trans	-87.1	72.6	-176.7	-60.3	178.7	69.8	0	0	111	F198 L204 L207 F220 Q224 L225	F198-M222 HydrophobicContact CB-CE 3.4Å; F198-M222 HydrophobicContact CB-SD 4.07Å; F198-M222 HydrophobicContact CD1-CE 4.4Å; F198-M222 HydrophobicContact CD2-CE 3.61Å; F198-M222 HydrophobicContact CD2-SD 3.51Å; F198-M222 VanDerWaalsContact CD2-SD 3.51Å; F198-M222 HydrophobicContact CE2-CE 4.49Å; F198-M222 HydrophobicContact CE2-SD 4.3Å; F198-M222 HydrophobicContact CG-CE 3.54Å; F198-M222 HydrophobicContact CG-SD 4.06Å; L204-M222 HydrophobicContact CD2-CE 3.72Å; L207-M222 HydrophobicContact CD2-CE 4.14Å; L207-M222 HydrophobicContact CD2-SD 4.31Å; F220-M222 HydrophobicContact CD2-CB 4.47Å; F220-M222 HydrophobicContact CD2-CG 4.46Å; F220-M222 HydrophobicContact CE2-CB 3.77Å; F220-M222 HydrophobicContact CE2-CG 4.09Å; F220-M222 HydrophobicContact CE2-SD 4.08Å; F220-M222 HydrophobicContact CZ-CB 3.89Å; M222-Q224 VanDerWaalsContact C-OE1 3.22Å; M222-Q224 PolarHBondContact O-N 3.1Å; M222-Q224 VanDerWaalsContact O-N 3.16Å; M222-L225 HydrophobicContact CB-CD1 3.84Å; M222-L225 HydrophobicContact CB-CG 4.13Å; M222-L225 HydrophobicContact CE-CD1 3.69Å; M222-L225 HydrophobicContact CE-CG 4.02Å; M222-L225 PolarHBondContact O-N 3.37Å; M222-L225 HydrophobicContact SD-CD1 3.88Å
223	T	95.2	Very high	94.9	Very high	32 Å²	32	35 Å²	35	20%	0.196	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.4	-174	56.4	0	0	0	0	113.7	H221 L244 D246 F248 Q249	H221-T223 PolarHBondContact O-N 3.37Å; H221-T223 VanDerWaalsContact O-N 3.11Å; T223-L244 HydrophobicContact CG2-CD1 4.27Å; T223-D246 HydrophobicContact CG2-CB 4.01Å; T223-F248 HydrophobicContact CG2-CD1 4.09Å; T223-F248 HydrophobicContact CG2-CD2 3.85Å; T223-F248 HydrophobicContact CG2-CE1 3.97Å; T223-F248 HydrophobicContact CG2-CE2 3.72Å; T223-F248 HydrophobicContact CG2-CG 4.06Å; T223-F248 HydrophobicContact CG2-CZ 3.8Å; T223-Q249 PolarHBondContact O-N 3.45Å
224	Q	96.3	Very high	94.9	Very high	45 Å²	45	32.5 Å²	32.5	21%	0.21	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-18.2	179.8	75	-86.4	34.8	0	0	115	N201 L204 M222	N201-Q224 PolarHBondContact O-NE2 3Å; N201-Q224 VanDerWaalsContact O-NE2 3.08Å; L204-Q224 WeakPolarHBondContact O-CG 3.41Å; M222-Q224 VanDerWaalsContact C-OE1 3.22Å; M222-Q224 PolarHBondContact O-N 3.1Å; M222-Q224 VanDerWaalsContact O-N 3.16Å
225	L	97.8	Very high	94.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.			trans	-67.5	141.8	-177.8	-82.6	175.7	0	0	0	111.2	L204 L207 F220 M222 Q249 L250	L204-L225 HydrophobicContact CD2-CD2 4.14Å; L204-L225 HydrophobicContact CG-CD2 4.07Å; L204-L225 WeakPolarHBondContact O-CD2 3.21Å; L207-L225 HydrophobicContact CB-CD1 4.21Å; L207-L225 HydrophobicContact CB-CD2 3.78Å; L207-L225 HydrophobicContact CD2-CD1 4.23Å; F220-L225 HydrophobicContact CE2-CD1 3.95Å; F220-L225 HydrophobicContact CZ-CD1 3.96Å; M222-L225 HydrophobicContact CB-CD1 3.84Å; M222-L225 HydrophobicContact CB-CG 4.13Å; M222-L225 HydrophobicContact CE-CD1 3.69Å; M222-L225 HydrophobicContact CE-CG 4.02Å; M222-L225 PolarHBondContact O-N 3.37Å; M222-L225 HydrophobicContact SD-CD1 3.88Å; L225-Q249 CarbonylContact O-C 3.55Å; L225-L250 HydrophobicContact CB-CD1 4.26Å; L225-L250 WeakPolarHBondContact O-CA 3.3Å; L225-L250 PolarHBondContact O-N 3.03Å
226	V	98.5	Very high	94.8	Very high	32 Å²	32	33.8 Å²	33.8	19%	0.194	17%	0.17	C	C	.	.	S	Bend	trans	-108.1	-35.4	175	-176.7	0	0	0	0	110.8	Q205 Q249 E251 T252	Q205-V226 HydrophobicContact CB-CB 4.47Å; Q205-V226 HydrophobicContact CB-CG2 4.13Å; Q205-V226 HydrophobicContact CG-CG2 4.12Å; Q205-V226 WeakPolarHBondContact O-CA 3.14Å; Q205-V226 PolarHBondContact O-N 3.36Å; V226-Q249 WeakPolarHBondContact CA-O 3.32Å; V226-Q249 HydrophobicContact CG2-CB 4.37Å; V226-E251 HydrophobicContact CG1-CB 4.17Å; V226-E251 HydrophobicContact CG1-CG 3.98Å; V226-E251 PolarHBondContact O-N 3.09Å; V226-T252 PolarHBondContact O-N 3.21Å; V226-T252 VanDerWaalsContact O-N 3.16Å
227	V	98.8	Very high	94.6	Very high	26 Å²	26	36 Å²	36	16%	0.158	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.2	176.1	-176.9	0	0	0	0	110.7	Q205 R206 L207 T252	Q205-V227 PolarHBondContact O-N 3.02Å; R206-V227 WeakPolarHBondContact CA-O 3.48Å; L207-V227 PolarHBondContact N-O 2.8Å; V227-T252 WeakPolarHBondContact CA-O 3.47Å; V227-T252 HydrophobicContact CG1-CG2 4.44Å
228	L	98.8	Very high	94.6	Very high	2 Å²	2	35 Å²	35	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	118.5	168.4	176.9	57.8	0	0	0	109.5	L207 L209 F220 F238 L250 T252 L253 D254	L207-L228 HydrophobicContact CB-CD1 4.11Å; L207-L228 HydrophobicContact CD2-CD1 4.04Å; L207-L228 HydrophobicContact CG-CD1 4.01Å; L209-L228 HydrophobicContact CD1-CD1 4.2Å; F220-L228 HydrophobicContact CD2-CD2 4.42Å; F220-L228 HydrophobicContact CE2-CD2 3.78Å; F220-L228 HydrophobicContact CZ-CD2 4.13Å; L228-F238 HydrophobicContact CD2-CE2 4.05Å; L228-L250 HydrophobicContact CB-CD1 3.91Å; L228-T252 PolarHBondContact N-O 3.15Å; L228-L253 HydrophobicContact CB-CD1 4.03Å; L228-L253 HydrophobicContact CD2-CD1 3.85Å; L228-L253 HydrophobicContact CG-CD1 3.98Å; L228-L253 WeakPolarHBondContact O-CA 3.33Å; L228-D254 PolarHBondContact O-N 3.06Å
229	N	98.9	Very high	94.7	Very high	41 Å²	41	33.9 Å²	33.9	22%	0.219	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.2	167	-175.5	-7.3	0	0	0	109.1	L207 L209 S231 D254	L207-N229 PolarHBondContact O-N 2.93Å; L209-N229 PolarHBondContact N-O 3.02Å; N229-S231 VanDerWaalsContact OD1-CB 3.3Å; N229-S231 WeakPolarHBondContact OD1-CB 3.4Å; N229-S231 PolarHBondContact OD1-N 3.29Å; N229-S231 PolarHBondContact OD1-OG 2.64Å; N229-D254 HydrophobicContact CB-CB 4.47Å
230	A	98.6	Very high	95	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.143	C	C	.	.			trans	-129.3	32.3	171.5	0	0	0	0	0	111	L209 L217 N233 I235 D254 L255 N258	L209-A230 HydrophobicContact CB-CB 4.25Å; L217-A230 HydrophobicContact CD1-CB 3.85Å; A230-N233 PolarHBondContact O-ND2 3.32Å; A230-I235 HydrophobicContact CB-CD1 3.82Å; A230-D254 CarbonylContact C-O 3.47Å; A230-D254 PolarHBondContact N-O 3.09Å; A230-L255 HydrophobicContact CB-CD2 4.04Å; A230-N258 PolarHBondContact O-ND2 2.77Å
231	S	98.9	Very high	94.8	Very high	5 Å²	5	33.4 Å²	33.4	4%	0.035	15%	0.154	C	C	.	.			trans	-63.6	163.9	174	60.7	0	0	0	0	112.7	A210 F211 N229 N233 D254 S256	A210-S231 WeakPolarHBondContact CA-O 3.18Å; F211-S231 PolarHBondContact N-O 3.07Å; F211-S231 VanDerWaalsContact N-O 3.1Å; N229-S231 VanDerWaalsContact OD1-CB 3.3Å; N229-S231 WeakPolarHBondContact OD1-CB 3.4Å; N229-S231 PolarHBondContact OD1-N 3.29Å; N229-S231 PolarHBondContact OD1-OG 2.64Å; S231-N233 VanDerWaalsContact C-N 3.34Å; S231-N233 PolarHBondContact O-N 2.99Å; S231-N233 PolarHBondContact O-ND2 3.05Å; S231-D254 PolarHBondContact N-O 3.41Å; S231-S256 CarbonylContact C-O 3.5Å; S231-S256 WeakPolarHBondContact CA-O 3.19Å; S231-S256 VanDerWaalsContact CB-O 3.3Å; S231-S256 WeakPolarHBondContact CB-O 3.12Å; S231-S256 WeakPolarHBondContact CB-OG 3.28Å
232	Y	98.8	Very high	94.2	Very high	104 Å²	104	33.6 Å²	33.6	41%	0.408	16%	0.155	S	C	.	.	S	Bend	trans	52.7	49.3	176.9	-65.7	-83.8	0	0	0	113	F211 N212 S256 N257	F211-Y232 WeakPolarHBondContact CA-O 3.26Å; F211-Y232 HydrophobicContact CD1-CD1 4.24Å; F211-Y232 HydrophobicContact CD1-CD2 4.33Å; F211-Y232 AromaticContact CD1-CG 3.79Å; F211-Y232 HydrophobicContact CD1-CG 3.79Å; F211-Y232 AromaticContact CE1-CD1 3.64Å; F211-Y232 HydrophobicContact CE1-CD1 3.64Å; F211-Y232 AromaticContact CE1-CD2 3.65Å; F211-Y232 HydrophobicContact CE1-CD2 3.65Å; F211-Y232 HydrophobicContact CE1-CE1 4.17Å; F211-Y232 HydrophobicContact CE1-CE2 4.17Å; F211-Y232 AromaticContact CE1-CG 3.35Å; F211-Y232 HydrophobicContact CE1-CG 3.35Å; F211-Y232 AromaticContact CE2-CD2 3.88Å; F211-Y232 HydrophobicContact CE2-CD2 3.88Å; F211-Y232 HydrophobicContact CE2-CE2 4.45Å; F211-Y232 HydrophobicContact CE2-CG 4.3Å; F211-Y232 HydrophobicContact CG-CG 4.42Å; F211-Y232 HydrophobicContact CZ-CD1 4.19Å; F211-Y232 AromaticContact CZ-CD2 3.38Å; F211-Y232 HydrophobicContact CZ-CD2 3.38Å; F211-Y232 HydrophobicContact CZ-CE1 4.48Å; F211-Y232 AromaticContact CZ-CE2 3.73Å; F211-Y232 HydrophobicContact CZ-CE2 3.73Å; F211-Y232 AromaticContact CZ-CG 3.64Å; F211-Y232 HydrophobicContact CZ-CG 3.64Å; F211-Y232 PolarHBondContact N-O 3.08Å; N212-Y232 PolarHBondContact N-O 3.15Å; Y232-S256 PolarHBondContact N-O 2.98Å; Y232-N257 VanDerWaalsContact CA-O 3.24Å; Y232-N257 WeakPolarHBondContact CA-O 3.33Å; Y232-N257 HydrophobicContact CD1-CB 3.5Å; Y232-N257 VanDerWaalsContact CD1-CB 3.5Å; Y232-N257 HydrophobicContact CD2-CB 4.16Å; Y232-N257 HydrophobicContact CE1-CB 3.57Å; Y232-N257 WeakPolarHBondContact CE1-OD1 3.35Å; Y232-N257 HydrophobicContact CE2-CB 4.23Å; Y232-N257 HydrophobicContact CG-CB 3.81Å; Y232-N257 PolarHBondContact N-O 2.83Å; Y232-N257 PolarHBondContact OH-ND2 2.96Å; Y232-N257 PolarHBondContact OH-OD1 2.84Å
233	N	98.6	Very high	93.6	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	18%	0.182	C	C	.	.	S	Bend	trans	-124.2	-165.3	175.6	-88.7	-95.9	0	0	0	109.3	L209 N212 Y213 L214 A230 S231 I235 N257 N258	L209-N233 PolarHBondContact O-ND2 3.08Å; N212-N233 WeakPolarHBondContact CA-OD1 3.43Å; N212-N233 WeakPolarHBondContact CB-OD1 3.42Å; N212-N233 PolarHBondContact N-ND2 2.76Å; N212-N233 PolarHBondContact O-OD1 3.28Å; Y213-N233 PolarHBondContact N-OD1 3.09Å; L214-N233 HydrophobicContact CB-CB 4.44Å; L214-N233 VanDerWaalsContact CB-OD1 3.27Å; L214-N233 WeakPolarHBondContact CB-OD1 3.37Å; L214-N233 WeakPolarHBondContact CG-OD1 3.33Å; L214-N233 PolarHBondContact N-OD1 3.37Å; A230-N233 PolarHBondContact O-ND2 3.32Å; S231-N233 VanDerWaalsContact C-N 3.34Å; S231-N233 PolarHBondContact O-N 2.99Å; S231-N233 PolarHBondContact O-ND2 3.05Å; N233-I235 HydrophobicContact CB-CD1 4.07Å; N233-I235 HydrophobicContact CB-CG1 3.95Å; N233-N257 PolarHBondContact N-O 3.17Å; N233-N258 VanDerWaalsContact CA-OD1 3.26Å; N233-N258 WeakPolarHBondContact CA-OD1 3.49Å; N233-N258 WeakPolarHBondContact CB-OD1 3.4Å; N233-N258 PolarHBondContact N-OD1 3.23Å; N233-N258 PolarHBondContact O-OD1 2.94Å
234	F	96.6	Very high	93.1	Very high	77 Å²	77	38.7 Å²	38.7	34%	0.338	18%	0.182	S	C	.	.			trans	-115.1	30	174	-56.4	-64.1	0	0	0	112.1	Y213 L214 P215 E236 N258	Y213-F234 HydrophobicContact CD1-CD2 4.33Å; Y213-F234 AromaticContact CD1-CE2 3.61Å; Y213-F234 HydrophobicContact CD1-CE2 3.61Å; Y213-F234 HydrophobicContact CE1-CE2 4.13Å; Y213-F234 HydrophobicContact CG-CE2 4.13Å; L214-F234 CarbonylContact O-C 3.47Å; L214-F234 WeakPolarHBondContact O-CA 3.26Å; L214-F234 PolarHBondContact O-N 2.97Å; P215-F234 WeakPolarHBondContact CA-O 3.13Å; F234-E236 PolarHBondContact O-N 2.8Å; F234-E236 VanDerWaalsContact O-N 3.08Å; F234-N258 PolarHBondContact N-OD1 2.98Å
235	I	95.8	Very high	92.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.			trans	-65.1	110.8	-173.3	-62.5	168.8	0	0	0	109.3	L214 P215 L217 A230 N233 W237 L255 N258 R259 L260	L214-I235 HydrophobicContact CB-CG1 4.25Å; L214-I235 PolarHBondContact O-N 3.18Å; L214-I235 VanDerWaalsContact O-N 3.12Å; P215-I235 WeakPolarHBondContact O-CA 3.11Å; L217-I235 HydrophobicContact CD1-CD1 3.77Å; L217-I235 HydrophobicContact CG-CD1 3.96Å; A230-I235 HydrophobicContact CB-CD1 3.82Å; N233-I235 HydrophobicContact CB-CD1 4.07Å; N233-I235 HydrophobicContact CB-CG1 3.95Å; I235-W237 VanDerWaalsContact CG2-O 3.28Å; I235-W237 WeakPolarHBondContact CG2-O 3.45Å; I235-L255 HydrophobicContact CD1-CD2 3.97Å; I235-N258 HydrophobicContact CB-CB 4.28Å; I235-N258 VanDerWaalsContact CB-OD1 3.27Å; I235-N258 WeakPolarHBondContact CB-OD1 3.15Å; I235-N258 WeakPolarHBondContact CG1-OD1 3.3Å; I235-N258 PolarHBondContact N-OD1 3.3Å; I235-R259 CarbonylContact O-C 3.59Å; I235-R259 WeakPolarHBondContact O-CA 3.42Å; I235-R259 PolarHBondContact O-N 3.37Å; I235-L260 HydrophobicContact CG2-CD2 3.9Å; I235-L260 PolarHBondContact O-N 2.98Å
236	E	91.4	Very high	92.3	Very high	68 Å²	68	47 Å²	47	32%	0.318	23%	0.227	S	C	.	.	S	Bend	trans	-87.4	-27.1	174.9	-72.1	169.3	-163.8	0	0	110.7	P215 F234 R259	P215-E236 PolarHBondContact O-N 3.45Å; F234-E236 PolarHBondContact O-N 2.8Å; F234-E236 VanDerWaalsContact O-N 3.08Å; E236-R259 HydrophobicContact CG-CB 3.57Å; E236-R259 WeakPolarHBondContact OE1-CD 3.43Å; E236-R259 IonicContact OE1-NH1 3.66Å; E236-R259 PolarHBondContact OE1-NH1 3.06Å
237	W	86.2	Confident	92.1	Very high	61 Å²	61	48.5 Å²	48.5	23%	0.231	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	136.1	176.7	-40.8	-74.1	0	0	0	113	C216 L217 I235 I239	C216-W237 WeakPolarHBondContact CA-O 3.48Å; C216-W237 HydrophobicContact CB-CE3 3.8Å; C216-W237 HydrophobicContact CB-CZ3 4.39Å; L217-W237 PolarHBondContact N-O 3.43Å; I235-W237 VanDerWaalsContact CG2-O 3.28Å; I235-W237 WeakPolarHBondContact CG2-O 3.45Å; W237-I239 HydrophobicContact CB-CD1 4.33Å; W237-I239 HydrophobicContact CB-CG1 4.25Å
238	F	92.3	Very high	91.9	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.8	163.1	178.7	-80.2	0	0	0	108.9	L217 F220 L228 L253 L255 P264 F265 L266	L217-F238 HydrophobicContact CB-CD2 3.82Å; L217-F238 HydrophobicContact CB-CE2 4.34Å; L217-F238 HydrophobicContact CD1-CD2 4.06Å; L217-F238 HydrophobicContact CD1-CE2 4.29Å; L217-F238 CarbonylContact O-C 3.1Å; L217-F238 WeakPolarHBondContact O-CA 3.3Å; F220-F238 HydrophobicContact CB-CE2 4.48Å; F220-F238 HydrophobicContact CB-CZ 4.13Å; F220-F238 HydrophobicContact CD1-CE1 4.47Å; F220-F238 AromaticContact CD1-CZ 3.73Å; F220-F238 HydrophobicContact CD1-CZ 3.73Å; F220-F238 HydrophobicContact CD2-CE2 4.46Å; F220-F238 HydrophobicContact CD2-CZ 4.42Å; F220-F238 HydrophobicContact CE1-CZ 4.21Å; F220-F238 HydrophobicContact CG-CE2 4.25Å; F220-F238 AromaticContact CG-CZ 3.84Å; F220-F238 HydrophobicContact CG-CZ 3.84Å; L228-F238 HydrophobicContact CD2-CE2 4.05Å; F238-L253 HydrophobicContact CE1-CD2 4.18Å; F238-L253 HydrophobicContact CE2-CD1 4.21Å; F238-L253 HydrophobicContact CE2-CD2 4.39Å; F238-L253 HydrophobicContact CZ-CD2 4.08Å; F238-L255 HydrophobicContact CB-CD1 3.84Å; F238-L255 HydrophobicContact CD2-CD1 3.97Å; F238-L255 HydrophobicContact CD2-CD2 4.09Å; F238-L255 HydrophobicContact CG-CD1 3.88Å; F238-P264 HydrophobicContact CB-CB 4.02Å; F238-P264 HydrophobicContact CD1-CB 3.98Å; F238-P264 HydrophobicContact CG-CB 4.35Å; F238-F265 PolarHBondContact O-N 2.86Å; F238-F265 VanDerWaalsContact O-N 3.1Å; F238-L266 HydrophobicContact CD1-CD2 4.36Å; F238-L266 HydrophobicContact CE1-CD2 4.16Å
239	I	88.3	Confident	91.9	Very high	30 Å²	30	50.4 Å²	50.4	15%	0.154	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	111.8	-174.3	-43.3	-173.7	0	0	0	110.3	L217 T218 D219 F220 W237 F265 V313	L217-I239 PolarHBondContact O-N 2.96Å; T218-I239 CarbonylContact C-O 3.56Å; T218-I239 HydrophobicContact CG2-CD1 4.15Å; T218-I239 HydrophobicContact CG2-CG1 4.36Å; D219-I239 PolarHBondContact N-O 3.02Å; F220-I239 PolarHBondContact N-O 3.41Å; W237-I239 HydrophobicContact CB-CD1 4.33Å; W237-I239 HydrophobicContact CB-CG1 4.25Å; I239-F265 HydrophobicContact CD1-CD2 4.38Å; I239-F265 HydrophobicContact CD1-CE2 4.48Å; I239-F265 HydrophobicContact CG1-CD2 3.89Å; I239-F265 HydrophobicContact CG1-CE2 4.42Å; I239-F265 HydrophobicContact CG2-CB 4.18Å; I239-F265 HydrophobicContact CG2-CD2 4.48Å; I239-V313 HydrophobicContact CD1-CG1 3.59Å; I239-V313 HydrophobicContact CD1-CG2 4.37Å
240	S	90	Very high	91.8	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	153.3	168.9	56.7	0	0	0	0	113.1	F220 Q242 F265 L266 P267	F220-S240 VanDerWaalsContact O-CA 3.3Å; F220-S240 WeakPolarHBondContact O-CA 3.42Å; F220-S240 WeakPolarHBondContact O-CB 3.44Å; S240-Q242 PolarHBondContact O-NE2 3.01Å; S240-Q242 PolarHBondContact OG-NE2 3.33Å; S240-Q242 VanDerWaalsContact OG-NE2 3.15Å; S240-F265 PolarHBondContact N-O 3.41Å; S240-F265 PolarHBondContact OG-O 3.05Å; S240-F265 VanDerWaalsContact OG-O 3.07Å; S240-L266 PolarHBondContact OG-O 2.92Å; S240-P267 WeakPolarHBondContact OG-CA 3.48Å; S240-P267 WeakPolarHBondContact OG-CD 3.45Å
241	R	86.3	Confident	91.8	Very high	83 Å²	83	52.4 Å²	52.4	31%	0.313	25%	0.252	S	S	.	.			trans	-75.2	126	174.1	-159.6	-168.9	-69.4	164.7	-0.8	110.6	D219 F220 H221 D243 L244	D219-R241 WeakPolarHBondContact OD1-CG 3.31Å; D219-R241 IonicContact OD1-CZ 3.49Å; D219-R241 IonicContact OD1-NE 2.95Å; D219-R241 PolarHBondContact OD1-NE 3.23Å; D219-R241 IonicContact OD1-NH2 2.91Å; D219-R241 PolarHBondContact OD1-NH2 2.89Å; D219-R241 IonicContact OD2-CZ 2.93Å; D219-R241 IonicContact OD2-NE 3.93Å; D219-R241 IonicContact OD2-NH2 3.17Å; D219-R241 PolarHBondContact OD2-NH2 3Å; F220-R241 PolarHBondContact O-N 3.46Å; H221-R241 HydrophobicContact CB-CB 4.46Å; H221-R241 PolarHBondContact CD2-NH2 2.91Å; R241-D243 WeakPolarHBondContact CD-OD1 3.22Å; R241-D243 WeakPolarHBondContact CG-OD1 3.43Å; R241-L244 HydrophobicContact CB-CD1 4Å; R241-L244 HydrophobicContact CB-CG 4.25Å; R241-L244 HydrophobicContact CG-CG 4.49Å
242	Q	79.4	Confident	91.8	Very high	74 Å²	74	53.5 Å²	53.5	35%	0.346	26%	0.259	S	S	.	.	S	Bend	trans	-97.5	-5.3	-167.8	-56.2	-61.4	-4.9	0	0	115.2	S240 L266	S240-Q242 PolarHBondContact O-NE2 3.01Å; S240-Q242 PolarHBondContact OG-NE2 3.33Å; S240-Q242 VanDerWaalsContact OG-NE2 3.15Å; Q242-L266 PolarHBondContact NE2-O 2.94Å; Q242-L266 PolarHBondContact OE1-O 3.48Å
243	D	80.1	Confident	91.8	Very high	120 Å²	120	48.6 Å²	48.6	64%	0.642	24%	0.239	S	C	*	.	S	Bend	trans	-90.3	-2.5	179.1	66.5	-8.3	0	0	0	113.7	R241	R241-D243 WeakPolarHBondContact CD-OD1 3.22Å; R241-D243 WeakPolarHBondContact CG-OD1 3.43Å
244	L	84.3	Confident	91.8	Very high	36 Å²	36	49.9 Å²	49.9	19%	0.188	25%	0.246	C	C	.	.			trans	-75.1	132.2	-176.7	-62.5	175.6	0	0	0	111.3	H221 T223 R241 F248	H221-L244 HydrophobicContact CB-CD1 3.77Å; T223-L244 HydrophobicContact CG2-CD1 4.27Å; R241-L244 HydrophobicContact CB-CD1 4Å; R241-L244 HydrophobicContact CB-CG 4.25Å; R241-L244 HydrophobicContact CG-CG 4.49Å; L244-F248 HydrophobicContact CB-CE2 4.48Å; L244-F248 HydrophobicContact CD1-CE2 3.99Å; L244-F248 HydrophobicContact CD1-CZ 3.74Å
245	N	86.5	Confident	91.9	Very high	114 Å²	114	46.2 Å²	46.2	61%	0.61	23%	0.23	S	C	*	.			trans	-84.7	-19.2	176.8	-84.5	-72.1	0	0	0	113.5	R269	N245-R269 PolarHBondContact O-NH1 3.23Å; N245-R269 PolarHBondContact OD1-NH1 3.02Å; N245-R269 PolarHBondContact OD1-NH2 3.22Å
246	D	91.7	Very high	92	Very high	104 Å²	104	46.7 Å²	46.7	56%	0.556	23%	0.234	S	C	*	.	S	Bend	trans	-73.8	141.6	-179.5	-61.5	-60.4	0	0	0	111.7	T223	T223-D246 HydrophobicContact CG2-CB 4.01Å
247	T	93.9	Very high	92.4	Very high	64 Å²	64	45 Å²	45	39%	0.393	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-74.9	126.7	172.7	-54.2	0	0	0	0	109.8	Q249 R269 K271	T247-Q249 PolarHBondContact O-N 2.71Å; T247-Q249 PolarHBondContact O-NE2 2.89Å; T247-R269 HydrophobicContact CG2-CB 4.48Å; T247-K271 HydrophobicContact CG2-CG 4.34Å
248	F	95.6	Very high	93	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.013	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-69.9	127.6	172	-74.9	-110	0	0	0	109.7	F220 T223 L244 L250 P267 R269 K271	F220-F248 HydrophobicContact CD1-CD1 4.33Å; F220-F248 AromaticContact CD1-CE1 3.72Å; F220-F248 HydrophobicContact CD1-CE1 3.72Å; F220-F248 AromaticContact CE1-CD1 3.82Å; F220-F248 HydrophobicContact CE1-CD1 3.82Å; F220-F248 AromaticContact CE1-CE1 3.63Å; F220-F248 HydrophobicContact CE1-CE1 3.63Å; T223-F248 HydrophobicContact CG2-CD1 4.09Å; T223-F248 HydrophobicContact CG2-CD2 3.85Å; T223-F248 HydrophobicContact CG2-CE1 3.97Å; T223-F248 HydrophobicContact CG2-CE2 3.72Å; T223-F248 HydrophobicContact CG2-CG 4.06Å; T223-F248 HydrophobicContact CG2-CZ 3.8Å; L244-F248 HydrophobicContact CB-CE2 4.48Å; L244-F248 HydrophobicContact CD1-CE2 3.99Å; L244-F248 HydrophobicContact CD1-CZ 3.74Å; F248-L250 PolarHBondContact O-N 2.92Å; F248-P267 HydrophobicContact CB-CB 4.29Å; F248-P267 HydrophobicContact CB-CG 4.11Å; F248-P267 HydrophobicContact CD1-CB 4.34Å; F248-P267 HydrophobicContact CD1-CG 3.69Å; F248-P267 HydrophobicContact CD2-CB 3.32Å; F248-P267 HydrophobicContact CD2-CG 3.64Å; F248-P267 HydrophobicContact CE1-CG 3.89Å; F248-P267 HydrophobicContact CE2-CB 3.54Å; F248-P267 HydrophobicContact CE2-CG 3.84Å; F248-P267 HydrophobicContact CG-CB 3.75Å; F248-P267 HydrophobicContact CG-CG 3.54Å; F248-P267 HydrophobicContact CZ-CB 4.13Å; F248-P267 HydrophobicContact CZ-CG 3.94Å; F248-R269 PolarHBondContact N-O 2.69Å; F248-K271 PolarHBondContact O-N 2.93Å
249	Q	97.1	Very high	93.2	Very high	66 Å²	66	48 Å²	48	31%	0.308	24%	0.239	S	C	.	.			trans	-81.9	8.1	179.1	-53.7	-53.3	-66.3	0	0	113.3	T223 L225 V226 T247 E251	T223-Q249 PolarHBondContact O-N 3.45Å; L225-Q249 CarbonylContact O-C 3.55Å; V226-Q249 WeakPolarHBondContact CA-O 3.32Å; V226-Q249 HydrophobicContact CG2-CB 4.37Å; T247-Q249 PolarHBondContact O-N 2.71Å; T247-Q249 PolarHBondContact O-NE2 2.89Å; Q249-E251 PolarHBondContact O-N 2.98Å; Q249-E251 VanDerWaalsContact O-N 3.14Å
250	L	97.3	Very high	93.5	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	23%	0.232	C	C	.	.			trans	-70.4	107.4	-171.4	-173.2	69.1	0	0	0	110.2	F220 L225 L228 F248 T252 L253 K271 L272	F220-L250 HydrophobicContact CE1-CD2 4.35Å; L225-L250 HydrophobicContact CB-CD1 4.26Å; L225-L250 WeakPolarHBondContact O-CA 3.3Å; L225-L250 PolarHBondContact O-N 3.03Å; L228-L250 HydrophobicContact CB-CD1 3.91Å; F248-L250 PolarHBondContact O-N 2.92Å; L250-T252 WeakPolarHBondContact CD1-O 3.05Å; L250-L253 HydrophobicContact CD2-CB 4.16Å; L250-L253 HydrophobicContact CD2-CD1 4.48Å; L250-L253 HydrophobicContact CD2-CD2 4.36Å; L250-K271 CarbonylContact O-C 3.24Å; L250-K271 VanDerWaalsContact O-C 3.26Å; L250-L272 HydrophobicContact CD2-CD1 4.42Å; L250-L272 HydrophobicContact CG-CD1 4.21Å; L250-L272 WeakPolarHBondContact O-CA 3.38Å; L250-L272 PolarHBondContact O-N 3.33Å
251	E	98.3	Very high	93.4	Very high	78 Å²	78	50.3 Å²	50.3	36%	0.364	25%	0.248	S	C	.	.			trans	-91	-28.9	179.2	-65.4	-178.9	159.1	0	0	112	V226 Q249 Q273 N274	V226-E251 HydrophobicContact CG1-CB 4.17Å; V226-E251 HydrophobicContact CG1-CG 3.98Å; V226-E251 PolarHBondContact O-N 3.09Å; Q249-E251 PolarHBondContact O-N 2.98Å; Q249-E251 VanDerWaalsContact O-N 3.14Å; E251-Q273 PolarHBondContact O-N 2.97Å; E251-N274 PolarHBondContact O-N 2.98Å
252	T	98.8	Very high	93.4	Very high	29 Å²	29	47.8 Å²	47.8	18%	0.178	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	126.1	-178.2	-60.8	0	0	0	0	112.3	V226 V227 L228 L250 N274 Y276	V226-T252 PolarHBondContact O-N 3.21Å; V226-T252 VanDerWaalsContact O-N 3.16Å; V227-T252 WeakPolarHBondContact CA-O 3.47Å; V227-T252 HydrophobicContact CG1-CG2 4.44Å; L228-T252 PolarHBondContact N-O 3.15Å; L250-T252 WeakPolarHBondContact CD1-O 3.05Å; T252-N274 WeakPolarHBondContact CA-O 3.25Å; T252-N274 HydrophobicContact CG2-CB 4.07Å; T252-N274 PolarHBondContact OG1-ND2 2.98Å; T252-N274 VanDerWaalsContact OG1-ND2 3.13Å; T252-Y276 HydrophobicContact CG2-CD2 4.37Å; T252-Y276 HydrophobicContact CG2-CE2 3.92Å
253	L	98.8	Very high	93.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116.9	175.6	179	55.9	0	0	0	109.9	L228 F238 L250 L255 L266 L272 N274 L275 Y276	L228-L253 HydrophobicContact CB-CD1 4.03Å; L228-L253 HydrophobicContact CD2-CD1 3.85Å; L228-L253 HydrophobicContact CG-CD1 3.98Å; L228-L253 WeakPolarHBondContact O-CA 3.33Å; F238-L253 HydrophobicContact CE1-CD2 4.18Å; F238-L253 HydrophobicContact CE2-CD1 4.21Å; F238-L253 HydrophobicContact CE2-CD2 4.39Å; F238-L253 HydrophobicContact CZ-CD2 4.08Å; L250-L253 HydrophobicContact CD2-CB 4.16Å; L250-L253 HydrophobicContact CD2-CD1 4.48Å; L250-L253 HydrophobicContact CD2-CD2 4.36Å; L253-L255 HydrophobicContact CD1-CD1 4.21Å; L253-L255 HydrophobicContact CD1-CD2 4.31Å; L253-L255 HydrophobicContact CD1-CG 3.96Å; L253-L255 HydrophobicContact CD2-CD1 3.95Å; L253-L255 HydrophobicContact CG-CD1 4.01Å; L253-L255 HydrophobicContact CG-CG 4.05Å; L253-L266 HydrophobicContact CD2-CD2 3.66Å; L253-L272 HydrophobicContact CB-CD1 3.7Å; L253-N274 PolarHBondContact N-O 3.22Å; L253-L275 HydrophobicContact CB-CD1 4.15Å; L253-L275 HydrophobicContact CD2-CD1 4.04Å; L253-L275 HydrophobicContact CG-CD1 4.12Å; L253-Y276 PolarHBondContact O-N 2.81Å
254	D	98.9	Very high	94.5	Very high	32 Å²	32	39 Å²	39	17%	0.171	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.2	173	-173.2	-1.6	0	0	0	110.6	L228 N229 A230 S231 S256 Y276	L228-D254 PolarHBondContact O-N 3.06Å; N229-D254 HydrophobicContact CB-CB 4.47Å; A230-D254 CarbonylContact C-O 3.47Å; A230-D254 PolarHBondContact N-O 3.09Å; S231-D254 PolarHBondContact N-O 3.41Å; D254-S256 WeakPolarHBondContact OD1-CB 3.4Å; D254-S256 PolarHBondContact OD1-N 3.24Å; D254-S256 PolarHBondContact OD1-OG 3.07Å; D254-Y276 HydrophobicContact CB-CD2 4.17Å
255	L	98.8	Very high	94.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.			trans	-121.3	23.2	173.2	-62.6	167.1	0	0	0	110.4	A230 I235 F238 L253 N258 L260 P264 Y276 L277 N280	A230-L255 HydrophobicContact CB-CD2 4.04Å; I235-L255 HydrophobicContact CD1-CD2 3.97Å; F238-L255 HydrophobicContact CB-CD1 3.84Å; F238-L255 HydrophobicContact CD2-CD1 3.97Å; F238-L255 HydrophobicContact CD2-CD2 4.09Å; F238-L255 HydrophobicContact CG-CD1 3.88Å; L253-L255 HydrophobicContact CD1-CD1 4.21Å; L253-L255 HydrophobicContact CD1-CD2 4.31Å; L253-L255 HydrophobicContact CD1-CG 3.96Å; L253-L255 HydrophobicContact CD2-CD1 3.95Å; L253-L255 HydrophobicContact CG-CD1 4.01Å; L253-L255 HydrophobicContact CG-CG 4.05Å; L255-N258 WeakPolarHBondContact O-CB 3.03Å; L255-N258 PolarHBondContact O-ND2 2.71Å; L255-L260 HydrophobicContact CB-CD1 3.86Å; L255-L260 HydrophobicContact CD1-CD1 4.08Å; L255-P264 HydrophobicContact CD1-CB 4.38Å; L255-Y276 CarbonylContact C-O 3.14Å; L255-Y276 PolarHBondContact N-O 2.89Å; L255-L277 HydrophobicContact CB-CD2 4.09Å; L255-L277 HydrophobicContact CD1-CD2 4.24Å; L255-N280 PolarHBondContact O-ND2 2.76Å
256	S	98.8	Very high	95	Very high	10 Å²	10	32.7 Å²	32.7	7%	0.07	16%	0.16	C	C	.	.			trans	-64.8	156.2	178.6	67	0	0	0	0	112.4	S231 Y232 D254 N258 Y276 S278	S231-S256 CarbonylContact C-O 3.5Å; S231-S256 WeakPolarHBondContact CA-O 3.19Å; S231-S256 VanDerWaalsContact CB-O 3.3Å; S231-S256 WeakPolarHBondContact CB-O 3.12Å; S231-S256 WeakPolarHBondContact CB-OG 3.28Å; Y232-S256 PolarHBondContact N-O 2.98Å; D254-S256 WeakPolarHBondContact OD1-CB 3.4Å; D254-S256 PolarHBondContact OD1-N 3.24Å; D254-S256 PolarHBondContact OD1-OG 3.07Å; S256-N258 PolarHBondContact O-N 2.76Å; S256-N258 PolarHBondContact O-ND2 2.83Å; S256-Y276 PolarHBondContact N-O 3.11Å; S256-S278 CarbonylContact C-O 3.51Å; S256-S278 WeakPolarHBondContact CA-O 3.45Å; S256-S278 WeakPolarHBondContact CB-O 3.18Å
257	N	98.8	Very high	94.9	Very high	33 Å²	33	27.9 Å²	27.9	18%	0.176	14%	0.135	C	C	.	.	S	Bend	trans	56.4	51.9	179	-56	-97.6	0	0	0	112.3	Y232 N233 S278 H279	Y232-N257 VanDerWaalsContact CA-O 3.24Å; Y232-N257 WeakPolarHBondContact CA-O 3.33Å; Y232-N257 HydrophobicContact CD1-CB 3.5Å; Y232-N257 VanDerWaalsContact CD1-CB 3.5Å; Y232-N257 HydrophobicContact CD2-CB 4.16Å; Y232-N257 HydrophobicContact CE1-CB 3.57Å; Y232-N257 WeakPolarHBondContact CE1-OD1 3.35Å; Y232-N257 HydrophobicContact CE2-CB 4.23Å; Y232-N257 HydrophobicContact CG-CB 3.81Å; Y232-N257 PolarHBondContact N-O 2.83Å; Y232-N257 PolarHBondContact OH-ND2 2.96Å; Y232-N257 PolarHBondContact OH-OD1 2.84Å; N233-N257 PolarHBondContact N-O 3.17Å; N257-S278 PolarHBondContact N-O 3.48Å; N257-H279 VanDerWaalsContact CA-O 3.29Å; N257-H279 WeakPolarHBondContact CA-O 3.27Å; N257-H279 HydrophobicContact CB-CB 4.41Å; N257-H279 PolarHBondContact N-O 2.93Å; N257-H279 PolarHBondContact OD1-CD2 2.74Å
258	N	98.7	Very high	94.6	Very high	13 Å²	13	28 Å²	28	7%	0.07	14%	0.135	C	C	.	.	S	Bend	trans	-127.5	-156.6	-179.3	-90.2	-71.4	0	0	0	110.4	A230 N233 F234 I235 L255 S256 H279 N280	A230-N258 PolarHBondContact O-ND2 2.77Å; N233-N258 VanDerWaalsContact CA-OD1 3.26Å; N233-N258 WeakPolarHBondContact CA-OD1 3.49Å; N233-N258 WeakPolarHBondContact CB-OD1 3.4Å; N233-N258 PolarHBondContact N-OD1 3.23Å; N233-N258 PolarHBondContact O-OD1 2.94Å; F234-N258 PolarHBondContact N-OD1 2.98Å; I235-N258 HydrophobicContact CB-CB 4.28Å; I235-N258 VanDerWaalsContact CB-OD1 3.27Å; I235-N258 WeakPolarHBondContact CB-OD1 3.15Å; I235-N258 WeakPolarHBondContact CG1-OD1 3.3Å; I235-N258 PolarHBondContact N-OD1 3.3Å; L255-N258 WeakPolarHBondContact O-CB 3.03Å; L255-N258 PolarHBondContact O-ND2 2.71Å; S256-N258 PolarHBondContact O-N 2.76Å; S256-N258 PolarHBondContact O-ND2 2.83Å; N258-H279 PolarHBondContact N-O 2.97Å; N258-N280 VanDerWaalsContact CA-OD1 3.28Å; N258-N280 WeakPolarHBondContact CA-OD1 3.26Å; N258-N280 WeakPolarHBondContact CB-OD1 3.28Å; N258-N280 PolarHBondContact N-OD1 2.99Å; N258-N280 PolarHBondContact O-OD1 3Å
259	R	96.8	Very high	94.4	Very high	112 Å²	112	33.1 Å²	33.1	42%	0.423	15%	0.154	S	C	.	.			trans	-125.8	23.6	-179.8	-64.6	-175.6	177.8	176.9	5.5	113.1	I235 E236 F261 N280 I281	I235-R259 CarbonylContact O-C 3.59Å; I235-R259 WeakPolarHBondContact O-CA 3.42Å; I235-R259 PolarHBondContact O-N 3.37Å; E236-R259 HydrophobicContact CG-CB 3.57Å; E236-R259 WeakPolarHBondContact OE1-CD 3.43Å; E236-R259 IonicContact OE1-NH1 3.66Å; E236-R259 PolarHBondContact OE1-NH1 3.06Å; R259-F261 PolarHBondContact O-N 3.07Å; R259-F261 VanDerWaalsContact O-N 3.14Å; R259-N280 PolarHBondContact N-OD1 3.44Å; R259-N280 VanDerWaalsContact N-OD1 3.13Å; R259-I281 WeakPolarHBondContact O-CG1 3.44Å
260	L	94.3	Very high	94.1	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	14%	0.143	C	C	.	.			trans	-56.4	121.4	179.7	-64.6	174.7	0	0	0	109.9	I235 L255 L277 N280 I281 L282	I235-L260 HydrophobicContact CG2-CD2 3.9Å; I235-L260 PolarHBondContact O-N 2.98Å; L255-L260 HydrophobicContact CB-CD1 3.86Å; L255-L260 HydrophobicContact CD1-CD1 4.08Å; L260-L277 HydrophobicContact CD1-CD2 3.76Å; L260-N280 HydrophobicContact CB-CB 4.11Å; L260-N280 WeakPolarHBondContact CB-OD1 3.5Å; L260-N280 WeakPolarHBondContact CG-OD1 3.5Å; L260-N280 PolarHBondContact N-OD1 2.87Å; L260-I281 CarbonylContact O-C 3.2Å; L260-I281 VanDerWaalsContact O-C 3.24Å; L260-I281 WeakPolarHBondContact O-CG1 3.37Å; L260-I281 PolarHBondContact O-N 2.9Å; L260-I281 VanDerWaalsContact O-N 3.08Å; L260-L282 WeakPolarHBondContact O-CA 3.15Å; L260-L282 PolarHBondContact O-N 2.89Å
261	F	87.8	Confident	94.1	Very high	80 Å²	80	34.3 Å²	34.3	35%	0.351	16%	0.159	S	C	.	.			trans	-94.1	-26.6	179.7	-170.3	-84.8	0	0	0	111.7	R259 I281 R283 Y285	R259-F261 PolarHBondContact O-N 3.07Å; R259-F261 VanDerWaalsContact O-N 3.14Å; F261-I281 HydrophobicContact CB-CG1 4.45Å; F261-I281 HydrophobicContact CD2-CD1 4.04Å; F261-I281 HydrophobicContact CD2-CG1 4.47Å; F261-R283 PolarHBondContact O-N 3.08Å; F261-Y285 AromaticContact CD1-CE2 3.74Å; F261-Y285 HydrophobicContact CD1-CE2 3.74Å; F261-Y285 AromaticContact CD1-CZ 3.99Å; F261-Y285 HydrophobicContact CE1-CD2 4.39Å; F261-Y285 HydrophobicContact CE1-CE1 4.06Å; F261-Y285 AromaticContact CE1-CE2 3.47Å; F261-Y285 HydrophobicContact CE1-CE2 3.47Å; F261-Y285 VanDerWaalsContact CE1-CE2 3.47Å; F261-Y285 AromaticContact CE1-CZ 3.28Å; F261-Y285 WeakPolarHBondContact CE1-OH 3.31Å; F261-Y285 HydrophobicContact CZ-CE1 4.38Å; F261-Y285 HydrophobicContact CZ-CE2 4.33Å; F261-Y285 AromaticContact CZ-CZ 3.73Å; F261-Y285 WeakPolarHBondContact CZ-OH 3.34Å
262	F	86.6	Confident	94	Very high	30 Å²	30	30.7 Å²	30.7	13%	0.132	14%	0.143	C	C	.	.	S	Bend	trans	-121.5	167.1	176.3	-53.4	-81	0	0	0	110.2	Y285 F303 L317	F262-Y285 AromaticContact CD1-CD2 3.64Å; F262-Y285 HydrophobicContact CD1-CD2 3.64Å; F262-Y285 HydrophobicContact CD1-CE2 4.01Å; F262-Y285 AromaticContact CE1-CD2 3.42Å; F262-Y285 HydrophobicContact CE1-CD2 3.42Å; F262-Y285 VanDerWaalsContact CE1-CD2 3.42Å; F262-Y285 AromaticContact CE1-CE2 3.8Å; F262-Y285 HydrophobicContact CE1-CE2 3.8Å; F262-Y285 HydrophobicContact CE1-CG 4.11Å; F262-F303 HydrophobicContact CD2-CZ 4.21Å; F262-F303 AromaticContact CE2-CE1 3.52Å; F262-F303 HydrophobicContact CE2-CE1 3.52Å; F262-F303 AromaticContact CE2-CZ 3.39Å; F262-F303 HydrophobicContact CE2-CZ 3.39Å; F262-F303 AromaticContact CZ-CE1 3.94Å; F262-F303 HydrophobicContact CZ-CE1 3.94Å; F262-F303 AromaticContact CZ-CZ 3.68Å; F262-F303 HydrophobicContact CZ-CZ 3.68Å; F262-L317 HydrophobicContact CD1-CD1 4.33Å; F262-L317 HydrophobicContact CD1-CD2 4.01Å; F262-L317 HydrophobicContact CD2-CD2 4.44Å; F262-L317 HydrophobicContact CE1-CD1 3.64Å; F262-L317 HydrophobicContact CE1-CD2 4.09Å; F262-L317 HydrophobicContact CE1-CG 4.5Å; F262-L317 HydrophobicContact CG-CD2 4.19Å; F262-L317 HydrophobicContact CZ-CD1 3.83Å; F262-L317 HydrophobicContact CZ-CD2 4.33Å
263	F	91.1	Very high	94	Very high	7 Å²	7	33 Å²	33	3%	0.031	15%	0.151	C	C	.	.			trans	-61.1	139.8	163	-167.5	-93.9	0	0	0	109.8	L266 L275 L277 L282 F284 H323 V326 L332 F346 M350	F263-L266 HydrophobicContact CE1-CD1 3.81Å; F263-L266 HydrophobicContact CE1-CG 4.45Å; F263-L266 HydrophobicContact CZ-CD1 4.13Å; F263-L275 HydrophobicContact CE1-CD2 4.42Å; F263-L275 HydrophobicContact CE2-CD2 3.91Å; F263-L275 HydrophobicContact CZ-CD2 3.51Å; F263-L277 HydrophobicContact CD2-CD1 3.79Å; F263-L277 HydrophobicContact CE2-CD1 3.68Å; F263-L282 HydrophobicContact CB-CD1 4.37Å; F263-L282 HydrophobicContact CD2-CD1 4.41Å; F263-F284 HydrophobicContact CB-CE1 4.23Å; F263-H323 HydrophobicContact CD1-CB 4Å; F263-H323 AromaticContact CD1-CG 3.92Å; F263-H323 AromaticContact CD1-ND1 3.68Å; F263-H323 HydrophobicContact CE1-CB 3.98Å; F263-V326 HydrophobicContact CE1-CG1 4.31Å; F263-V326 HydrophobicContact CZ-CG1 4.37Å; F263-L332 HydrophobicContact CE2-CD1 4.29Å; F263-F346 HydrophobicContact CD1-CE2 4.48Å; F263-F346 HydrophobicContact CD2-CE2 4.34Å; F263-F346 AromaticContact CD2-CZ 3.79Å; F263-F346 HydrophobicContact CD2-CZ 3.79Å; F263-F346 HydrophobicContact CE2-CE2 4.5Å; F263-F346 AromaticContact CE2-CZ 3.75Å; F263-F346 HydrophobicContact CE2-CZ 3.75Å; F263-F346 HydrophobicContact CG-CE2 4.33Å; F263-F346 HydrophobicContact CG-CZ 4.23Å; F263-F346 HydrophobicContact CZ-CZ 4.15Å; F263-M350 HydrophobicContact CZ-CE 4.31Å
264	P	92.3	Very high	94	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.013	16%	0.159	C	C	.	.			trans	-62.2	148.6	-178.4	27.3	-37.7	0	0	0	112.2	F238 L255 L266 L277	F238-P264 HydrophobicContact CB-CB 4.02Å; F238-P264 HydrophobicContact CD1-CB 3.98Å; F238-P264 HydrophobicContact CG-CB 4.35Å; L255-P264 HydrophobicContact CD1-CB 4.38Å; P264-L266 HydrophobicContact CB-CD2 3.93Å; P264-L266 HydrophobicContact CB-CG 4.33Å; P264-L266 HydrophobicContact CG-CD1 4.42Å; P264-L266 HydrophobicContact CG-CD2 3.79Å; P264-L266 HydrophobicContact CG-CG 4.06Å; P264-L266 PolarHBondContact O-N 2.86Å; P264-L277 HydrophobicContact CG-CD1 4.36Å; P264-L277 HydrophobicContact CG-CD2 4.09Å
265	F	88.7	Confident	94	Very high	16 Å²	16	32.9 Å²	32.9	7%	0.07	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-85.9	97	171.5	-51.8	-98.4	0	0	0	107.7	F238 I239 S240 A315 L317 L322	F238-F265 PolarHBondContact O-N 2.86Å; F238-F265 VanDerWaalsContact O-N 3.1Å; I239-F265 HydrophobicContact CD1-CD2 4.38Å; I239-F265 HydrophobicContact CD1-CE2 4.48Å; I239-F265 HydrophobicContact CG1-CD2 3.89Å; I239-F265 HydrophobicContact CG1-CE2 4.42Å; I239-F265 HydrophobicContact CG2-CB 4.18Å; I239-F265 HydrophobicContact CG2-CD2 4.48Å; S240-F265 PolarHBondContact N-O 3.41Å; S240-F265 PolarHBondContact OG-O 3.05Å; S240-F265 VanDerWaalsContact OG-O 3.07Å; F265-A315 HydrophobicContact CE1-CB 4.01Å; F265-A315 HydrophobicContact CZ-CB 3.88Å; F265-L317 HydrophobicContact CE1-CD2 4.19Å; F265-L317 HydrophobicContact CZ-CD2 3.63Å; F265-L322 HydrophobicContact CD1-CB 4.43Å; F265-L322 HydrophobicContact CD1-CD2 4.06Å; F265-L322 WeakPolarHBondContact CD1-O 3.27Å; F265-L322 HydrophobicContact CE1-CD2 4.19Å
266	L	92	Very high	94	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	16%	0.162	C	C	.	.			trans	-87.7	166.5	-176.1	-54.4	170	0	0	0	111.4	F238 S240 Q242 L253 F263 P264 L272 L275 H323 G324 V326	F238-L266 HydrophobicContact CD1-CD2 4.36Å; F238-L266 HydrophobicContact CE1-CD2 4.16Å; S240-L266 PolarHBondContact OG-O 2.92Å; Q242-L266 PolarHBondContact NE2-O 2.94Å; Q242-L266 PolarHBondContact OE1-O 3.48Å; L253-L266 HydrophobicContact CD2-CD2 3.66Å; F263-L266 HydrophobicContact CE1-CD1 3.81Å; F263-L266 HydrophobicContact CE1-CG 4.45Å; F263-L266 HydrophobicContact CZ-CD1 4.13Å; P264-L266 HydrophobicContact CB-CD2 3.93Å; P264-L266 HydrophobicContact CB-CG 4.33Å; P264-L266 HydrophobicContact CG-CD1 4.42Å; P264-L266 HydrophobicContact CG-CD2 3.79Å; P264-L266 HydrophobicContact CG-CG 4.06Å; P264-L266 PolarHBondContact O-N 2.86Å; L266-L272 HydrophobicContact CD1-CD2 3.86Å; L266-L272 HydrophobicContact CD2-CD2 4.29Å; L266-L275 HydrophobicContact CD1-CD2 3.81Å; L266-H323 WeakPolarHBondContact CB-O 3.41Å; L266-G324 VanDerWaalsContact O-CA 3.27Å; L266-G324 WeakPolarHBondContact O-CA 3.22Å; L266-V326 HydrophobicContact CD1-CG1 3.72Å
267	P	89.3	Confident	94	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.026	16%	0.159	C	C	.	.			trans	-67.5	143.8	-177.7	-21.5	32.7	0	0	0	113.5	S240 F248 R269 D325	S240-P267 WeakPolarHBondContact OG-CA 3.48Å; S240-P267 WeakPolarHBondContact OG-CD 3.45Å; F248-P267 HydrophobicContact CB-CB 4.29Å; F248-P267 HydrophobicContact CB-CG 4.11Å; F248-P267 HydrophobicContact CD1-CB 4.34Å; F248-P267 HydrophobicContact CD1-CG 3.69Å; F248-P267 HydrophobicContact CD2-CB 3.32Å; F248-P267 HydrophobicContact CD2-CG 3.64Å; F248-P267 HydrophobicContact CE1-CG 3.89Å; F248-P267 HydrophobicContact CE2-CB 3.54Å; F248-P267 HydrophobicContact CE2-CG 3.84Å; F248-P267 HydrophobicContact CG-CB 3.75Å; F248-P267 HydrophobicContact CG-CG 3.54Å; F248-P267 HydrophobicContact CZ-CB 4.13Å; F248-P267 HydrophobicContact CZ-CG 3.94Å; P267-R269 PolarHBondContact O-N 3.12Å; P267-D325 WeakPolarHBondContact O-CB 3.43Å; P267-D325 PolarHBondContact O-N 2.73Å
268	T	87.3	Confident	94	Very high	65 Å²	65	34.2 Å²	34.2	40%	0.399	15%	0.154	S	C	.	.	S	Bend	trans	-67.3	-4.5	173.1	44.8	0	0	0	0	115.6
269	R	91.7	Very high	94	Very high	111 Å²	111	36.8 Å²	36.8	42%	0.419	17%	0.165	S	C	.	.	S	Bend	trans	-141.8	101.3	174.5	-64.3	-176.3	-178.3	170	8.5	109.3	N245 T247 F248 P267	N245-R269 PolarHBondContact O-NH1 3.23Å; N245-R269 PolarHBondContact OD1-NH1 3.02Å; N245-R269 PolarHBondContact OD1-NH2 3.22Å; T247-R269 HydrophobicContact CG2-CB 4.48Å; F248-R269 PolarHBondContact N-O 2.69Å; P267-R269 PolarHBondContact O-N 3.12Å
270	S	91.9	Very high	94.1	Very high	10 Å²	10	31.9 Å²	31.9	7%	0.07	15%	0.147	C	C	.	.			trans	-132.9	155.8	-161.3	-170.9	0	0	0	0	113	L272 D325	S270-L272 VanDerWaalsContact OG-CB 3.29Å; S270-L272 WeakPolarHBondContact OG-CB 3.25Å; S270-L272 PolarHBondContact OG-N 3.36Å; S270-D325 WeakPolarHBondContact CB-O 3.49Å; S270-D325 PolarHBondContact N-OD2 3.11Å; S270-D325 PolarHBondContact OG-O 3.32Å
271	K	95.9	Very high	94.2	Very high	85 Å²	85	34.2 Å²	34.2	37%	0.37	16%	0.159	S	C	.	.			trans	-117.1	16.1	167.5	-71	-171.9	174.8	178.1	0	112.5	T247 F248 L250 Q273	T247-K271 HydrophobicContact CG2-CG 4.34Å; F248-K271 PolarHBondContact O-N 2.93Å; L250-K271 CarbonylContact O-C 3.24Å; L250-K271 VanDerWaalsContact O-C 3.26Å; K271-Q273 PolarHBondContact O-N 3.11Å
272	L	97.4	Very high	94.5	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	14%	0.143	C	C	.	.			trans	-65.1	118.7	-170.6	-169.4	69.4	0	0	0	110.9	L250 L253 L266 S270 L275 S328 L329	L250-L272 HydrophobicContact CD2-CD1 4.42Å; L250-L272 HydrophobicContact CG-CD1 4.21Å; L250-L272 WeakPolarHBondContact O-CA 3.38Å; L250-L272 PolarHBondContact O-N 3.33Å; L253-L272 HydrophobicContact CB-CD1 3.7Å; L266-L272 HydrophobicContact CD1-CD2 3.86Å; L266-L272 HydrophobicContact CD2-CD2 4.29Å; S270-L272 VanDerWaalsContact OG-CB 3.29Å; S270-L272 WeakPolarHBondContact OG-CB 3.25Å; S270-L272 PolarHBondContact OG-N 3.36Å; L272-L275 HydrophobicContact CD2-CB 4.14Å; L272-L275 HydrophobicContact CD2-CD1 4.26Å; L272-L275 HydrophobicContact CD2-CD2 4.19Å; L272-L275 HydrophobicContact CD2-CG 4.43Å; L272-S328 CarbonylContact O-C 3.56Å; L272-L329 HydrophobicContact CB-CD2 4.35Å; L272-L329 HydrophobicContact CD2-CD2 4.02Å; L272-L329 HydrophobicContact CG-CD2 3.82Å; L272-L329 WeakPolarHBondContact O-CA 3.43Å; L272-L329 WeakPolarHBondContact O-CD2 3.45Å; L272-L329 PolarHBondContact O-N 3.02Å
273	Q	98	Very high	94.6	Very high	77 Å²	77	32.9 Å²	32.9	36%	0.36	15%	0.151	S	C	.	.			trans	-105.4	-38.4	179	-71.5	161.1	53	0	0	111.2	E251 K271 D330 T331	E251-Q273 PolarHBondContact O-N 2.97Å; K271-Q273 PolarHBondContact O-N 3.11Å; Q273-D330 PolarHBondContact O-N 3.04Å; Q273-T331 PolarHBondContact O-N 3.01Å
274	N	98.8	Very high	94.4	Very high	30 Å²	30	33 Å²	33	16%	0.16	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.5	-176.1	-53.7	-65.7	0	0	0	110.8	E251 T252 L253 Y276	E251-N274 PolarHBondContact O-N 2.98Å; T252-N274 WeakPolarHBondContact CA-O 3.25Å; T252-N274 HydrophobicContact CG2-CB 4.07Å; T252-N274 PolarHBondContact OG1-ND2 2.98Å; T252-N274 VanDerWaalsContact OG1-ND2 3.13Å; L253-N274 PolarHBondContact N-O 3.22Å; N274-Y276 HydrophobicContact CB-CE2 3.77Å
275	L	98.7	Very high	93.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	109.3	178.4	179.2	53.4	0	0	0	110.7	L253 F263 L266 L272 L277 L329 T331 L332 D333	L253-L275 HydrophobicContact CB-CD1 4.15Å; L253-L275 HydrophobicContact CD2-CD1 4.04Å; L253-L275 HydrophobicContact CG-CD1 4.12Å; F263-L275 HydrophobicContact CE1-CD2 4.42Å; F263-L275 HydrophobicContact CE2-CD2 3.91Å; F263-L275 HydrophobicContact CZ-CD2 3.51Å; L266-L275 HydrophobicContact CD1-CD2 3.81Å; L272-L275 HydrophobicContact CD2-CB 4.14Å; L272-L275 HydrophobicContact CD2-CD1 4.26Å; L272-L275 HydrophobicContact CD2-CD2 4.19Å; L272-L275 HydrophobicContact CD2-CG 4.43Å; L275-L277 HydrophobicContact CD1-CD1 4.43Å; L275-L277 HydrophobicContact CD1-CD2 3.82Å; L275-L277 HydrophobicContact CD1-CG 4.01Å; L275-L277 HydrophobicContact CD2-CD1 4.15Å; L275-L277 HydrophobicContact CG-CD1 4.07Å; L275-L277 HydrophobicContact CG-CD2 4.3Å; L275-L277 HydrophobicContact CG-CG 3.94Å; L275-L329 HydrophobicContact CB-CD2 3.74Å; L275-L329 HydrophobicContact CD2-CD1 4.23Å; L275-T331 PolarHBondContact N-O 3.02Å; L275-L332 HydrophobicContact CB-CD1 4.25Å; L275-L332 HydrophobicContact CD2-CD1 4.09Å; L275-L332 HydrophobicContact CG-CD1 4.08Å; L275-D333 PolarHBondContact O-N 3.14Å
276	Y	98.9	Very high	92.9	Very high	62 Å²	62	38.7 Å²	38.7	24%	0.243	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.4	-179.7	-52.7	-77.3	0	0	0	111.1	T252 L253 D254 L255 S256 N274 T331 D333 W357	T252-Y276 HydrophobicContact CG2-CD2 4.37Å; T252-Y276 HydrophobicContact CG2-CE2 3.92Å; L253-Y276 PolarHBondContact O-N 2.81Å; D254-Y276 HydrophobicContact CB-CD2 4.17Å; L255-Y276 CarbonylContact C-O 3.14Å; L255-Y276 PolarHBondContact N-O 2.89Å; S256-Y276 PolarHBondContact N-O 3.11Å; N274-Y276 HydrophobicContact CB-CE2 3.77Å; Y276-T331 HydrophobicContact CE1-CG2 4.17Å; Y276-D333 HydrophobicContact CD1-CB 3.79Å; Y276-W357 HydrophobicContact CE1-CZ3 4.27Å
277	L	98.7	Very high	91.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.198	C	C	.	.			trans	-122.6	12	-177.5	-58.4	177.2	0	0	0	112.2	L255 L260 F263 P264 L275 N280 L282 L332 D333 L334 N337	L255-L277 HydrophobicContact CB-CD2 4.09Å; L255-L277 HydrophobicContact CD1-CD2 4.24Å; L260-L277 HydrophobicContact CD1-CD2 3.76Å; F263-L277 HydrophobicContact CD2-CD1 3.79Å; F263-L277 HydrophobicContact CE2-CD1 3.68Å; P264-L277 HydrophobicContact CG-CD1 4.36Å; P264-L277 HydrophobicContact CG-CD2 4.09Å; L275-L277 HydrophobicContact CD1-CD1 4.43Å; L275-L277 HydrophobicContact CD1-CD2 3.82Å; L275-L277 HydrophobicContact CD1-CG 4.01Å; L275-L277 HydrophobicContact CD2-CD1 4.15Å; L275-L277 HydrophobicContact CG-CD1 4.07Å; L275-L277 HydrophobicContact CG-CD2 4.3Å; L275-L277 HydrophobicContact CG-CG 3.94Å; L277-N280 PolarHBondContact O-ND2 3.14Å; L277-L282 HydrophobicContact CD1-CD1 4.04Å; L277-L332 HydrophobicContact CD1-CD1 4.26Å; L277-D333 CarbonylContact C-O 3.31Å; L277-D333 WeakPolarHBondContact CA-O 3.39Å; L277-D333 WeakPolarHBondContact CB-O 3.37Å; L277-D333 PolarHBondContact N-O 3.11Å; L277-L334 HydrophobicContact CB-CD2 4.18Å; L277-L334 HydrophobicContact CD1-CD2 3.93Å; L277-N337 PolarHBondContact O-ND2 2.94Å
278	S	98.7	Very high	90.6	Very high	9 Å²	9	48 Å²	48	6%	0.063	22%	0.222	C	C	.	.			trans	-66.8	153.2	-174.2	44.6	0	0	0	0	113.6	S256 N257 N280 D333 R335	S256-S278 CarbonylContact C-O 3.51Å; S256-S278 WeakPolarHBondContact CA-O 3.45Å; S256-S278 WeakPolarHBondContact CB-O 3.18Å; N257-S278 PolarHBondContact N-O 3.48Å; S278-N280 PolarHBondContact O-ND2 3.11Å; S278-D333 WeakPolarHBondContact CB-OD1 3.42Å; S278-D333 VanDerWaalsContact CB-OD2 3.23Å; S278-D333 WeakPolarHBondContact CB-OD2 3.31Å; S278-D333 PolarHBondContact N-O 2.89Å; S278-D333 PolarHBondContact OG-OD2 2.95Å; S278-R335 CarbonylContact C-O 3.42Å; S278-R335 WeakPolarHBondContact CA-O 3.39Å; S278-R335 WeakPolarHBondContact CB-O 3.37Å
279	H	98.6	Very high	89.2	Confident	67 Å²	67	46.3 Å²	46.3	31%	0.31	22%	0.215	S	C	.	.	S	Bend	trans	56.5	51.7	-175.4	-53.1	55.2	0	0	0	112.7	N257 N258 R335 R336	N257-H279 VanDerWaalsContact CA-O 3.29Å; N257-H279 WeakPolarHBondContact CA-O 3.27Å; N257-H279 HydrophobicContact CB-CB 4.41Å; N257-H279 PolarHBondContact N-O 2.93Å; N257-H279 PolarHBondContact OD1-CD2 2.74Å; N258-H279 PolarHBondContact N-O 2.97Å; H279-R335 PolarHBondContact N-O 3.07Å; H279-R336 VanDerWaalsContact CA-O 3.25Å; H279-R336 WeakPolarHBondContact CA-O 3.31Å; H279-R336 PolarHBondContact N-O 2.73Å; H279-R336 PolarHBondContact NE2-NH1 3.24Å; H279-R336 VanDerWaalsContact NE2-NH1 3.11Å
280	N	98.6	Very high	87.5	Confident	9 Å²	9	43.7 Å²	43.7	5%	0.048	21%	0.209	C	C	.	.	S	Bend	trans	-118.3	-167.2	170.8	-84.4	-81.4	0	0	0	109.6	L255 N258 R259 L260 L277 S278 R336 N337	L255-N280 PolarHBondContact O-ND2 2.76Å; N258-N280 VanDerWaalsContact CA-OD1 3.28Å; N258-N280 WeakPolarHBondContact CA-OD1 3.26Å; N258-N280 WeakPolarHBondContact CB-OD1 3.28Å; N258-N280 PolarHBondContact N-OD1 2.99Å; N258-N280 PolarHBondContact O-OD1 3Å; R259-N280 PolarHBondContact N-OD1 3.44Å; R259-N280 VanDerWaalsContact N-OD1 3.13Å; L260-N280 HydrophobicContact CB-CB 4.11Å; L260-N280 WeakPolarHBondContact CB-OD1 3.5Å; L260-N280 WeakPolarHBondContact CG-OD1 3.5Å; L260-N280 PolarHBondContact N-OD1 2.87Å; L277-N280 PolarHBondContact O-ND2 3.14Å; S278-N280 PolarHBondContact O-ND2 3.11Å; N280-R336 PolarHBondContact N-O 3.2Å; N280-N337 VanDerWaalsContact CA-OD1 3.27Å; N280-N337 WeakPolarHBondContact CA-OD1 3.18Å; N280-N337 WeakPolarHBondContact CB-OD1 3.35Å; N280-N337 PolarHBondContact N-OD1 3.39Å; N280-N337 PolarHBondContact O-OD1 3.13Å
281	I	96.4	Very high	85.7	Confident	52 Å²	52	48.5 Å²	48.5	27%	0.267	23%	0.234	S	C	.	.			trans	-116	24.2	176.3	59	175.6	0	0	0	112.1	R259 L260 F261 N337	R259-I281 WeakPolarHBondContact O-CG1 3.44Å; L260-I281 CarbonylContact O-C 3.2Å; L260-I281 VanDerWaalsContact O-C 3.24Å; L260-I281 WeakPolarHBondContact O-CG1 3.37Å; L260-I281 PolarHBondContact O-N 2.9Å; L260-I281 VanDerWaalsContact O-N 3.08Å; F261-I281 HydrophobicContact CB-CG1 4.45Å; F261-I281 HydrophobicContact CD2-CD1 4.04Å; F261-I281 HydrophobicContact CD2-CG1 4.47Å; I281-N337 PolarHBondContact N-OD1 2.95Å
282	L	94	Very high	83.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.255	C	S	.	.			trans	-63.3	136.1	-167	-171.9	157.5	0	0	0	112.3	L260 F263 L277 F284 L334 N337 R338 V339	L260-L282 WeakPolarHBondContact O-CA 3.15Å; L260-L282 PolarHBondContact O-N 2.89Å; F263-L282 HydrophobicContact CB-CD1 4.37Å; F263-L282 HydrophobicContact CD2-CD1 4.41Å; L277-L282 HydrophobicContact CD1-CD1 4.04Å; L282-F284 HydrophobicContact CD2-CE2 4.11Å; L282-F284 HydrophobicContact CD2-CZ 4.26Å; L282-L334 HydrophobicContact CD1-CD2 4.06Å; L282-L334 HydrophobicContact CD2-CD2 4.35Å; L282-N337 HydrophobicContact CB-CB 4.28Å; L282-N337 WeakPolarHBondContact CB-OD1 3.24Å; L282-N337 PolarHBondContact N-OD1 2.67Å; L282-R338 CarbonylContact O-C 3.43Å; L282-R338 PolarHBondContact O-N 3.2Å; L282-R338 VanDerWaalsContact O-N 3.16Å; L282-V339 HydrophobicContact CD2-CG2 3.67Å; L282-V339 PolarHBondContact O-N 2.76Å
283	R	90.3	Very high	81.7	Confident	82 Å²	82	59.1 Å²	59.1	31%	0.309	28%	0.282	S	S	.	.			trans	-138.7	164.4	169.2	-86.7	-176	167	143	2.8	111.6	F261 Y285 R338 D340	F261-R283 PolarHBondContact O-N 3.08Å; R283-Y285 HydrophobicContact CB-CD2 4.21Å; R283-Y285 HydrophobicContact CB-CE2 3.4Å; R283-R338 HydrophobicContact CG-CB 3.8Å; R283-R338 WeakPolarHBondContact CG-O 3.09Å; R283-R338 PolarHBondContact NE-O 2.82Å; R283-D340 IonicContact CZ-OD2 3.31Å; R283-D340 IonicContact NE-OD2 2.75Å; R283-D340 PolarHBondContact NE-OD2 2.69Å; R283-D340 IonicContact NH2-OD2 2.73Å; R283-D340 PolarHBondContact NH2-OD2 3.36Å
284	F	86.1	Confident	79.6	Confident	10 Å²	10	60.4 Å²	60.4	4%	0.044	29%	0.291	C	S	.	.			trans	-101.7	149.5	164.3	-60.7	-81.9	0	0	0	109.6	F263 L282 V339 Y341 F342 P343 F346	F263-F284 HydrophobicContact CB-CE1 4.23Å; L282-F284 HydrophobicContact CD2-CE2 4.11Å; L282-F284 HydrophobicContact CD2-CZ 4.26Å; F284-V339 HydrophobicContact CD2-CG1 4.07Å; F284-V339 HydrophobicContact CE2-CG1 3.94Å; F284-V339 HydrophobicContact CE2-CG2 4.24Å; F284-Y341 HydrophobicContact CB-CE1 4.2Å; F284-Y341 HydrophobicContact CB-CE2 4.4Å; F284-Y341 VanDerWaalsContact CD2-O 3.25Å; F284-Y341 WeakPolarHBondContact CD2-O 3.15Å; F284-Y341 WeakPolarHBondContact O-CE1 3.47Å; F284-F342 AromaticContact CE2-CD1 3.79Å; F284-F342 HydrophobicContact CE2-CD1 3.79Å; F284-F342 HydrophobicContact CE2-CE1 4.12Å; F284-F342 HydrophobicContact CZ-CD1 4.14Å; F284-F342 HydrophobicContact CZ-CE1 4.39Å; F284-P343 HydrophobicContact CB-CG 3.96Å; F284-P343 HydrophobicContact CD1-CG 3.37Å; F284-P343 HydrophobicContact CE1-CG 3.93Å; F284-P343 HydrophobicContact CG-CG 3.7Å; F284-F346 HydrophobicContact CE1-CD2 4.03Å; F284-F346 HydrophobicContact CE1-CE1 4.4Å; F284-F346 AromaticContact CE1-CE2 3.7Å; F284-F346 HydrophobicContact CE1-CE2 3.7Å; F284-F346 AromaticContact CE1-CZ 3.91Å; F284-F346 HydrophobicContact CE1-CZ 3.91Å; F284-F346 HydrophobicContact CZ-CD1 4.27Å; F284-F346 HydrophobicContact CZ-CD2 4.39Å; F284-F346 AromaticContact CZ-CE1 3.85Å; F284-F346 HydrophobicContact CZ-CE1 3.85Å; F284-F346 AromaticContact CZ-CE2 3.98Å; F284-F346 HydrophobicContact CZ-CE2 3.98Å; F284-F346 AromaticContact CZ-CZ 3.7Å; F284-F346 HydrophobicContact CZ-CZ 3.7Å
285	Y	78.9	Confident	77.2	Confident	46 Å²	46	67.3 Å²	67.3	18%	0.18	32%	0.322	C	S	.	.			trans	-126	-3	-168.2	-74.9	-83.3	0	0	0	114.7	F261 F262 R283 H287 L288 W318	F261-Y285 AromaticContact CD1-CE2 3.74Å; F261-Y285 HydrophobicContact CD1-CE2 3.74Å; F261-Y285 AromaticContact CD1-CZ 3.99Å; F261-Y285 HydrophobicContact CE1-CD2 4.39Å; F261-Y285 HydrophobicContact CE1-CE1 4.06Å; F261-Y285 AromaticContact CE1-CE2 3.47Å; F261-Y285 HydrophobicContact CE1-CE2 3.47Å; F261-Y285 VanDerWaalsContact CE1-CE2 3.47Å; F261-Y285 AromaticContact CE1-CZ 3.28Å; F261-Y285 WeakPolarHBondContact CE1-OH 3.31Å; F261-Y285 HydrophobicContact CZ-CE1 4.38Å; F261-Y285 HydrophobicContact CZ-CE2 4.33Å; F261-Y285 AromaticContact CZ-CZ 3.73Å; F261-Y285 WeakPolarHBondContact CZ-OH 3.34Å; F262-Y285 AromaticContact CD1-CD2 3.64Å; F262-Y285 HydrophobicContact CD1-CD2 3.64Å; F262-Y285 HydrophobicContact CD1-CE2 4.01Å; F262-Y285 AromaticContact CE1-CD2 3.42Å; F262-Y285 HydrophobicContact CE1-CD2 3.42Å; F262-Y285 VanDerWaalsContact CE1-CD2 3.42Å; F262-Y285 AromaticContact CE1-CE2 3.8Å; F262-Y285 HydrophobicContact CE1-CE2 3.8Å; F262-Y285 HydrophobicContact CE1-CG 4.11Å; R283-Y285 HydrophobicContact CB-CD2 4.21Å; R283-Y285 HydrophobicContact CB-CE2 3.4Å; Y285-H287 PolarHBondContact O-N 2.8Å; Y285-H287 PolarHBondContact O-ND1 2.8Å; Y285-L288 HydrophobicContact CD1-CD1 4.2Å; Y285-L288 PolarHBondContact O-N 2.78Å; Y285-W318 VanDerWaalsContact C-CZ3 3.41Å; Y285-W318 WeakPolarHBondContact O-CH2 3.44Å; Y285-W318 WeakPolarHBondContact O-CZ3 3.44Å
286	E	70.8	Confident	75	Confident	91 Å²	91	74.9 Å²	74.9	43%	0.425	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-38	-26.5	-175.5	-163	-177.3	-159.2	0	0	117.1	L288 W318 Y341 P343	E286-L288 PolarHBondContact O-N 3.02Å; E286-W318 VanDerWaalsContact CA-CE3 3.47Å; E286-W318 WeakPolarHBondContact O-CZ3 3.32Å; E286-Y341 HydrophobicContact CB-CE2 4.27Å; E286-Y341 WeakPolarHBondContact CB-OH 3.48Å; E286-Y341 PolarHBondContact N-OH 2.67Å; E286-P343 WeakPolarHBondContact OE2-CA 3.5Å; E286-P343 VanDerWaalsContact OE2-CB 3.29Å; E286-P343 WeakPolarHBondContact OE2-CB 3.46Å
287	H	68	Low	72.7	Confident	100 Å²	100	74.1 Å²	74.1	46%	0.463	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-64.3	-29.4	174.5	57.5	-87.4	0	0	0	115.6	Y285 A289 D290 Y341	Y285-H287 PolarHBondContact O-N 2.8Å; Y285-H287 PolarHBondContact O-ND1 2.8Å; H287-A289 PolarHBondContact O-N 3.03Å; H287-D290 PolarHBondContact O-N 3.48Å; H287-Y341 PolarHBondContact N-OH 2.96Å; H287-Y341 AromaticContact ND1-CE1 3.81Å; H287-Y341 AromaticContact ND1-CZ 3.78Å; H287-Y341 PolarHBondContact ND1-OH 3Å
288	L	65.8	Low	70.6	Confident	100 Å²	100	79.4 Å²	79.4	52%	0.524	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-76.2	-4	-178.2	-36.2	163	0	0	0	114.6	Y285 E286 W318	Y285-L288 HydrophobicContact CD1-CD1 4.2Å; Y285-L288 PolarHBondContact O-N 2.78Å; E286-L288 PolarHBondContact O-N 3.02Å; L288-W318 HydrophobicContact CB-CH2 3.48Å; L288-W318 VanDerWaalsContact CB-CH2 3.48Å; L288-W318 HydrophobicContact CB-CZ2 4.35Å; L288-W318 HydrophobicContact CB-CZ3 4.07Å; L288-W318 HydrophobicContact CD1-CH2 4.04Å; L288-W318 HydrophobicContact CG-CH2 3.95Å
289	A	57.1	Low	68.6	Low	29 Å²	29	81.4 Å²	81.4	24%	0.24	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-112.4	11.5	175.1	0	0	0	0	0	113.4	H287 N291 T299 W318	H287-A289 PolarHBondContact O-N 3.03Å; A289-N291 PolarHBondContact O-N 3.44Å; A289-T299 HydrophobicContact CB-CG2 4.02Å; A289-W318 HydrophobicContact CB-CD2 3.6Å; A289-W318 HydrophobicContact CB-CE3 3.19Å; A289-W318 HydrophobicContact CB-CG 4.25Å; A289-W318 HydrophobicContact CB-CH2 4.31Å; A289-W318 HydrophobicContact CB-CZ3 3.56Å
290	D	56.3	Low	66.7	Low	56 Å²	56	80.1 Å²	80.1	30%	0.299	41%	0.412	S	S	.	.			trans	-62.5	109.6	164.4	-171.8	-25.8	0	0	0	108.7	H287 R292 T293	H287-D290 PolarHBondContact O-N 3.48Å; D290-R292 VanDerWaalsContact CG-NE 3.33Å; D290-R292 PolarHBondContact O-N 2.91Å; D290-R292 VanDerWaalsContact OD1-CB 3.22Å; D290-R292 WeakPolarHBondContact OD1-CB 3.17Å; D290-R292 VanDerWaalsContact OD1-CG 3.27Å; D290-R292 WeakPolarHBondContact OD1-CG 3.25Å; D290-R292 IonicContact OD1-CZ 3.88Å; D290-R292 PolarHBondContact OD1-N 3.2Å; D290-R292 IonicContact OD1-NE 3Å; D290-R292 PolarHBondContact OD1-NE 3.37Å; D290-R292 IonicContact OD1-NH2 3.89Å; D290-R292 IonicContact OD2-CZ 3.16Å; D290-R292 IonicContact OD2-NE 2.85Å; D290-R292 PolarHBondContact OD2-NE 3.16Å; D290-R292 IonicContact OD2-NH2 2.68Å; D290-R292 PolarHBondContact OD2-NH2 3.48Å; D290-T293 PolarHBondContact O-N 2.94Å; D290-T293 PolarHBondContact O-OG1 2.96Å
291	N	53	Low	64.8	Low	111 Å²	111	82 Å²	82	59%	0.594	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-13.6	179.8	-85.2	-70.4	0	0	0	113.8	A289 T293	A289-N291 PolarHBondContact O-N 3.44Å; N291-T293 PolarHBondContact O-N 3.01Å
292	R	56.3	Low	63	Low	216 Å²	216	83.7 Å²	83.7	82%	0.815	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.9	169.9	-68.1	178.1	-82.1	-154.8	-1.7	113.6	D290	D290-R292 VanDerWaalsContact CG-NE 3.33Å; D290-R292 PolarHBondContact O-N 2.91Å; D290-R292 VanDerWaalsContact OD1-CB 3.22Å; D290-R292 WeakPolarHBondContact OD1-CB 3.17Å; D290-R292 VanDerWaalsContact OD1-CG 3.27Å; D290-R292 WeakPolarHBondContact OD1-CG 3.25Å; D290-R292 IonicContact OD1-CZ 3.88Å; D290-R292 PolarHBondContact OD1-N 3.2Å; D290-R292 IonicContact OD1-NE 3Å; D290-R292 PolarHBondContact OD1-NE 3.37Å; D290-R292 IonicContact OD1-NH2 3.89Å; D290-R292 IonicContact OD2-CZ 3.16Å; D290-R292 IonicContact OD2-NE 2.85Å; D290-R292 PolarHBondContact OD2-NE 3.16Å; D290-R292 IonicContact OD2-NH2 2.68Å; D290-R292 PolarHBondContact OD2-NH2 3.48Å
293	T	54.2	Low	61.3	Low	94 Å²	94	85.6 Å²	85.6	58%	0.577	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-40.4	-177.2	63.6	0	0	0	0	113.6	D290 N291	D290-T293 PolarHBondContact O-N 2.94Å; D290-T293 PolarHBondContact O-OG1 2.96Å; N291-T293 PolarHBondContact O-N 3.01Å
294	L	53.1	Low	59.5	Low	105 Å²	105	88.5 Å²	88.5	55%	0.55	45%	0.451	S	S	.	.			trans	-134.1	109.8	172	-75.5	90.7	0	0	0	110.7	N296 A297	L294-N296 PolarHBondContact O-N 2.73Å; L294-A297 HydrophobicContact CB-CB 3.69Å; L294-A297 HydrophobicContact CD2-CB 4.4Å
295	Q	48.4	Very low	57.9	Low	175 Å²	175	89.9 Å²	89.9	82%	0.818	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	133.8	165.5	-71.6	-176.6	-32.1	0	0	109.9	A297	Q295-A297 VanDerWaalsContact C-N 3.31Å; Q295-A297 PolarHBondContact O-N 2.99Å
296	N	52.6	Low	56.5	Low	159 Å²	159	95.6 Å²	95.6	85%	0.85	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	19.6	180	-47.6	-32.3	0	0	0	115.7	L294	L294-N296 PolarHBondContact O-N 2.73Å
297	A	51.8	Low	55.6	Low	46 Å²	46	98.7 Å²	98.7	38%	0.38	50%	0.504	S	S	.	.			trans	-67.5	132.5	166.8	0	0	0	0	0	110.8	L294 Q295	L294-A297 HydrophobicContact CB-CB 3.69Å; L294-A297 HydrophobicContact CD2-CB 4.4Å; Q295-A297 VanDerWaalsContact C-N 3.31Å; Q295-A297 PolarHBondContact O-N 2.99Å
298	T	54	Low	54.6	Low	110 Å²	110	103.5 Å²	103.5	68%	0.675	52%	0.523	S	S	*	.			trans	-85	138.1	171.6	51.2	0	0	0	0	110.4	S300	T298-S300 WeakPolarHBondContact CB-OG 3.44Å; T298-S300 PolarHBondContact O-N 3.19Å; T298-S300 PolarHBondContact OG1-OG 3.07Å
299	T	57.3	Low	53.8	Low	52 Å²	52	107.1 Å²	107.1	32%	0.319	54%	0.537	S	S	.	.	S	Bend	trans	-69.7	-4.4	173.2	48	0	0	0	0	113	A289 V301 Q316 L317 W318	A289-T299 HydrophobicContact CB-CG2 4.02Å; T299-V301 PolarHBondContact O-N 3.07Å; T299-Q316 WeakPolarHBondContact O-CA 3.26Å; T299-L317 PolarHBondContact O-N 2.75Å; T299-W318 VanDerWaalsContact CB-CD1 3.42Å; T299-W318 HydrophobicContact CG2-CB 3.87Å; T299-W318 HydrophobicContact CG2-CG 3.87Å; T299-W318 PolarHBondContact O-NE1 3.36Å
300	S	57	Low	53.6	Low	40 Å²	40	109.1 Å²	109.1	28%	0.28	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	113.6	172.2	56.9	0	0	0	0	111.2	T298	T298-S300 WeakPolarHBondContact CB-OG 3.44Å; T298-S300 PolarHBondContact O-N 3.19Å; T298-S300 PolarHBondContact OG1-OG 3.07Å
301	V	59	Low	53.6	Low	49 Å²	49	115.4 Å²	115.4	30%	0.297	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.3	121.4	165.6	174.9	0	0	0	0	108.9	T299 F303 A315 L317	T299-V301 PolarHBondContact O-N 3.07Å; V301-F303 HydrophobicContact CB-CE2 4.24Å; V301-F303 HydrophobicContact CB-CZ 4.38Å; V301-F303 HydrophobicContact CG1-CD2 4.37Å; V301-F303 HydrophobicContact CG1-CE1 4.04Å; V301-F303 HydrophobicContact CG1-CE2 3.86Å; V301-F303 HydrophobicContact CG1-CZ 3.69Å; V301-A315 CarbonylContact C-O 3.49Å; V301-A315 PolarHBondContact N-O 3.02Å; V301-A315 PolarHBondContact O-N 3.08Å; V301-L317 HydrophobicContact CB-CD1 3.71Å; V301-L317 HydrophobicContact CB-CG 4.14Å; V301-L317 HydrophobicContact CG1-CD1 4.11Å; V301-L317 HydrophobicContact CG2-CD1 3.59Å; V301-L317 HydrophobicContact CG2-CG 4.28Å
302	E	58.4	Low	53.9	Low	86 Å²	86	113.9 Å²	113.9	40%	0.402	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.2	112.3	176.1	-62.5	-157.8	132.3	0	0	110.2	Y304 T314	E302-Y304 HydrophobicContact CB-CD2 3.97Å; E302-Y304 HydrophobicContact CB-CE2 3.45Å; E302-Y304 VanDerWaalsContact CB-CE2 3.45Å; E302-Y304 HydrophobicContact CG-CE2 4.43Å; E302-Y304 WeakPolarHBondContact O-CD2 3.44Å; E302-Y304 PolarHBondContact O-N 3.08Å; E302-Y304 VanDerWaalsContact O-N 3.13Å; E302-Y304 WeakPolarHBondContact OE2-CE2 3.24Å; E302-Y304 PolarHBondContact OE2-OH 2.76Å; E302-T314 HydrophobicContact CG-CG2 3.92Å; E302-T314 PolarHBondContact OE1-OG1 3.19Å
303	F	58.9	Low	53.9	Low	40 Å²	40	105.6 Å²	105.6	18%	0.175	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	90.5	173.1	-64.6	-79	0	0	0	109.4	F262 V301 N305 V313 A315 L317	F262-F303 HydrophobicContact CD2-CZ 4.21Å; F262-F303 AromaticContact CE2-CE1 3.52Å; F262-F303 HydrophobicContact CE2-CE1 3.52Å; F262-F303 AromaticContact CE2-CZ 3.39Å; F262-F303 HydrophobicContact CE2-CZ 3.39Å; F262-F303 AromaticContact CZ-CE1 3.94Å; F262-F303 HydrophobicContact CZ-CE1 3.94Å; F262-F303 AromaticContact CZ-CZ 3.68Å; F262-F303 HydrophobicContact CZ-CZ 3.68Å; V301-F303 HydrophobicContact CB-CE2 4.24Å; V301-F303 HydrophobicContact CB-CZ 4.38Å; V301-F303 HydrophobicContact CG1-CD2 4.37Å; V301-F303 HydrophobicContact CG1-CE1 4.04Å; V301-F303 HydrophobicContact CG1-CE2 3.86Å; V301-F303 HydrophobicContact CG1-CZ 3.69Å; F303-N305 PolarHBondContact O-N 2.99Å; F303-N305 VanDerWaalsContact O-N 3.15Å; F303-V313 HydrophobicContact CB-CB 4.25Å; F303-V313 WeakPolarHBondContact CB-O 3.33Å; F303-V313 PolarHBondContact N-O 3.18Å; F303-V313 PolarHBondContact O-N 3.44Å; F303-V313 VanDerWaalsContact O-N 3.17Å; F303-A315 HydrophobicContact CD2-CB 4.39Å; F303-A315 HydrophobicContact CE2-CB 4.24Å; F303-L317 HydrophobicContact CE2-CD1 4.43Å; F303-L317 HydrophobicContact CE2-CD2 4.01Å; F303-L317 HydrophobicContact CE2-CG 4.36Å; F303-L317 HydrophobicContact CZ-CD1 3.99Å; F303-L317 HydrophobicContact CZ-CD2 3.99Å; F303-L317 HydrophobicContact CZ-CG 4.35Å
304	Y	51.6	Low	54	Low	143 Å²	143	105 Å²	105	56%	0.561	53%	0.529	S	S	*	.			trans	-67.4	102.4	170	-75.4	-93.9	0	0	0	109.8	E302 L306 N312	E302-Y304 HydrophobicContact CB-CD2 3.97Å; E302-Y304 HydrophobicContact CB-CE2 3.45Å; E302-Y304 VanDerWaalsContact CB-CE2 3.45Å; E302-Y304 HydrophobicContact CG-CE2 4.43Å; E302-Y304 WeakPolarHBondContact O-CD2 3.44Å; E302-Y304 PolarHBondContact O-N 3.08Å; E302-Y304 VanDerWaalsContact O-N 3.13Å; E302-Y304 WeakPolarHBondContact OE2-CE2 3.24Å; E302-Y304 PolarHBondContact OE2-OH 2.76Å; Y304-L306 PolarHBondContact O-N 3.32Å; Y304-N312 VanDerWaalsContact CD1-ND2 3.25Å; Y304-N312 WeakPolarHBondContact CD1-ND2 3.19Å; Y304-N312 WeakPolarHBondContact CE1-ND2 3.45Å
305	N	54.1	Low	54.3	Low	39 Å²	39	100.6 Å²	100.6	21%	0.209	51%	0.508	C	S	.	.			trans	-73.9	103.8	174.5	-166.6	-23.5	0	0	0	109.4	F303 K307	F303-N305 PolarHBondContact O-N 2.99Å; F303-N305 VanDerWaalsContact O-N 3.15Å; N305-K307 PolarHBondContact O-N 2.94Å; N305-K307 VanDerWaalsContact O-N 3.08Å; N305-K307 WeakPolarHBondContact OD1-CB 3.22Å; N305-K307 PolarHBondContact OD1-N 3.13Å; N305-K307 PolarHBondContact OD1-O 3.1Å
306	L	48.6	Very low	54.8	Low	166 Å²	166	97.2 Å²	97.2	87%	0.869	49%	0.492	S	S	*	.	S	Bend	trans	-66.2	-9	-178.6	-60.8	176.7	0	0	0	113.2	Y304	Y304-L306 PolarHBondContact O-N 3.32Å
307	K	51.9	Low	55	Low	157 Å²	157	91.1 Å²	91.1	68%	0.683	46%	0.459	S	S	*	.	S	Bend	trans	-92.3	115.1	166.9	-62.2	178	-177.9	173.6	0	109.3	N305 H309	N305-K307 PolarHBondContact O-N 2.94Å; N305-K307 VanDerWaalsContact O-N 3.08Å; N305-K307 WeakPolarHBondContact OD1-CB 3.22Å; N305-K307 PolarHBondContact OD1-N 3.13Å; N305-K307 PolarHBondContact OD1-O 3.1Å; K307-H309 PolarHBondContact O-N 3.31Å
308	K	47.8	Very low	55.3	Low	200 Å²	200	91.6 Å²	91.6	87%	0.87	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	16.2	-165.6	-56.7	-177.5	177.8	-179.7	0	118
309	H	48.3	Very low	55.5	Low	177 Å²	177	87.6 Å²	87.6	82%	0.819	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-9.6	-169.8	-67.4	-81.7	0	0	0	114.8	K307	K307-H309 PolarHBondContact O-N 3.31Å
310	I	52.9	Low	55.4	Low	71 Å²	71	90.6 Å²	90.6	36%	0.364	45%	0.446	S	S	.	.	S	Bend	trans	-121.1	142.8	177.9	-57.3	175.7	0	0	0	108.5
311	K	56.6	Low	55.5	Low	187 Å²	187	95.1 Å²	95.1	81%	0.813	47%	0.467	S	S	*	.			trans	-60.2	147.1	176	-63.3	172	-174.8	166	0	110.2	V313	K311-V313 PolarHBondContact O-N 2.94Å
312	N	58.9	Low	55.7	Low	80 Å²	80	94.8 Å²	94.8	43%	0.428	46%	0.463	S	S	.	.			trans	-55.7	138.3	169.2	-76.2	-1.2	0	0	0	110.1	Y304	Y304-N312 VanDerWaalsContact CD1-ND2 3.25Å; Y304-N312 WeakPolarHBondContact CD1-ND2 3.19Å; Y304-N312 WeakPolarHBondContact CE1-ND2 3.45Å
313	V	57.4	Low	56.5	Low	42 Å²	42	92.2 Å²	92.2	26%	0.255	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	102.4	175.9	175.5	0	0	0	0	108.4	I239 F303 K311 A315	I239-V313 HydrophobicContact CD1-CG1 3.59Å; I239-V313 HydrophobicContact CD1-CG2 4.37Å; F303-V313 HydrophobicContact CB-CB 4.25Å; F303-V313 WeakPolarHBondContact CB-O 3.33Å; F303-V313 PolarHBondContact N-O 3.18Å; F303-V313 PolarHBondContact O-N 3.44Å; F303-V313 VanDerWaalsContact O-N 3.17Å; K311-V313 PolarHBondContact O-N 2.94Å; V313-A315 HydrophobicContact CG1-CB 4.44Å; V313-A315 PolarHBondContact O-N 3.44Å
314	T	56.4	Low	57.7	Low	82 Å²	82	91.2 Å²	91.2	50%	0.503	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	109.2	169.4	-57.7	0	0	0	0	108.5	E302	E302-T314 HydrophobicContact CG-CG2 3.92Å; E302-T314 PolarHBondContact OE1-OG1 3.19Å
315	A	57.9	Low	59.6	Low	12 Å²	12	86.3 Å²	86.3	10%	0.099	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.5	176.2	0	0	0	0	0	109.7	F265 V301 F303 V313	F265-A315 HydrophobicContact CE1-CB 4.01Å; F265-A315 HydrophobicContact CZ-CB 3.88Å; V301-A315 CarbonylContact C-O 3.49Å; V301-A315 PolarHBondContact N-O 3.02Å; V301-A315 PolarHBondContact O-N 3.08Å; F303-A315 HydrophobicContact CD2-CB 4.39Å; F303-A315 HydrophobicContact CE2-CB 4.24Å; V313-A315 HydrophobicContact CG1-CB 4.44Å; V313-A315 PolarHBondContact O-N 3.44Å
316	Q	59.4	Low	61.5	Low	104 Å²	104	84.7 Å²	84.7	49%	0.486	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	135.1	157.1	-70	173.6	7.1	0	0	106.9	T299 L322	T299-Q316 WeakPolarHBondContact O-CA 3.26Å; Q316-L322 HydrophobicContact CB-CD1 3.73Å; Q316-L322 WeakPolarHBondContact O-CD1 3.1Å; Q316-L322 VanDerWaalsContact O-CD2 3.25Å; Q316-L322 WeakPolarHBondContact O-CD2 3.33Å
317	L	56.9	Low	63.6	Low	31 Å²	31	79.2 Å²	79.2	16%	0.162	40%	0.402	C	S	.	.	S	Bend	trans	-100.1	-0.5	177.8	-65.4	167.8	0	0	0	113.7	F262 F265 T299 V301 F303	F262-L317 HydrophobicContact CD1-CD1 4.33Å; F262-L317 HydrophobicContact CD1-CD2 4.01Å; F262-L317 HydrophobicContact CD2-CD2 4.44Å; F262-L317 HydrophobicContact CE1-CD1 3.64Å; F262-L317 HydrophobicContact CE1-CD2 4.09Å; F262-L317 HydrophobicContact CE1-CG 4.5Å; F262-L317 HydrophobicContact CG-CD2 4.19Å; F262-L317 HydrophobicContact CZ-CD1 3.83Å; F262-L317 HydrophobicContact CZ-CD2 4.33Å; F265-L317 HydrophobicContact CE1-CD2 4.19Å; F265-L317 HydrophobicContact CZ-CD2 3.63Å; T299-L317 PolarHBondContact O-N 2.75Å; V301-L317 HydrophobicContact CB-CD1 3.71Å; V301-L317 HydrophobicContact CB-CG 4.14Å; V301-L317 HydrophobicContact CG1-CD1 4.11Å; V301-L317 HydrophobicContact CG2-CD1 3.59Å; V301-L317 HydrophobicContact CG2-CG 4.28Å; F303-L317 HydrophobicContact CE2-CD1 4.43Å; F303-L317 HydrophobicContact CE2-CD2 4.01Å; F303-L317 HydrophobicContact CE2-CG 4.36Å; F303-L317 HydrophobicContact CZ-CD1 3.99Å; F303-L317 HydrophobicContact CZ-CD2 3.99Å; F303-L317 HydrophobicContact CZ-CG 4.35Å
318	W	58.7	Low	65.7	Low	56 Å²	56	73.9 Å²	73.9	21%	0.212	39%	0.385	C	S	.	.	S	Bend	trans	-135.8	0.9	-156.2	-32.1	68.2	0	0	0	114	Y285 E286 L288 A289 T299	Y285-W318 VanDerWaalsContact C-CZ3 3.41Å; Y285-W318 WeakPolarHBondContact O-CH2 3.44Å; Y285-W318 WeakPolarHBondContact O-CZ3 3.44Å; E286-W318 VanDerWaalsContact CA-CE3 3.47Å; E286-W318 WeakPolarHBondContact O-CZ3 3.32Å; L288-W318 HydrophobicContact CB-CH2 3.48Å; L288-W318 VanDerWaalsContact CB-CH2 3.48Å; L288-W318 HydrophobicContact CB-CZ2 4.35Å; L288-W318 HydrophobicContact CB-CZ3 4.07Å; L288-W318 HydrophobicContact CD1-CH2 4.04Å; L288-W318 HydrophobicContact CG-CH2 3.95Å; A289-W318 HydrophobicContact CB-CD2 3.6Å; A289-W318 HydrophobicContact CB-CE3 3.19Å; A289-W318 HydrophobicContact CB-CG 4.25Å; A289-W318 HydrophobicContact CB-CH2 4.31Å; A289-W318 HydrophobicContact CB-CZ3 3.56Å; T299-W318 VanDerWaalsContact CB-CD1 3.42Å; T299-W318 HydrophobicContact CG2-CB 3.87Å; T299-W318 HydrophobicContact CG2-CG 3.87Å; T299-W318 PolarHBondContact O-NE1 3.36Å
319	G	57.3	Low	68.1	Low	26 Å²	26	64.3 Å²	64.3	27%	0.268	34%	0.344	S	S	.	.	S	Bend	trans	-86.1	146.5	173	0	0	0	0	0	110.3	D321 L322	G319-D321 PolarHBondContact O-N 3.41Å; G319-D321 VanDerWaalsContact O-N 3.1Å; G319-L322 WeakPolarHBondContact O-CD1 3.35Å; G319-L322 PolarHBondContact O-N 3.26Å
320	D	54.6	Low	70.5	Confident	115 Å²	115	58 Å²	58	62%	0.615	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.1	-171.5	-87.1	-69.4	0	0	0	115.5	K349	D320-K349 PolarHBondContact O-NZ 3.05Å; D320-K349 IonicContact OD1-NZ 2.7Å; D320-K349 PolarHBondContact OD1-NZ 2.97Å
321	D	59.9	Low	72.6	Confident	134 Å²	134	54.7 Å²	54.7	72%	0.717	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.8	-172.4	-51.7	-54.9	0	0	0	114.1	G319 H323 G324	G319-D321 PolarHBondContact O-N 3.41Å; G319-D321 VanDerWaalsContact O-N 3.1Å; D321-H323 VanDerWaalsContact C-N 3.33Å; D321-H323 PolarHBondContact O-N 3.15Å; D321-G324 PolarHBondContact O-N 2.83Å; D321-G324 VanDerWaalsContact O-N 3.1Å
322	L	62.4	Low	74.6	Confident	42 Å²	42	45.8 Å²	45.8	22%	0.22	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-11.7	-163.3	-81	143.8	0	0	0	115.9	F265 Q316 G319	F265-L322 HydrophobicContact CD1-CB 4.43Å; F265-L322 HydrophobicContact CD1-CD2 4.06Å; F265-L322 WeakPolarHBondContact CD1-O 3.27Å; F265-L322 HydrophobicContact CE1-CD2 4.19Å; Q316-L322 HydrophobicContact CB-CD1 3.73Å; Q316-L322 WeakPolarHBondContact O-CD1 3.1Å; Q316-L322 VanDerWaalsContact O-CD2 3.25Å; Q316-L322 WeakPolarHBondContact O-CD2 3.33Å; G319-L322 WeakPolarHBondContact O-CD1 3.35Å; G319-L322 PolarHBondContact O-N 3.26Å
323	H	76	Confident	76.5	Confident	33 Å²	33	42 Å²	42	15%	0.153	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.2	170.3	-58.8	-34.2	0	0	0	112.8	F263 L266 D321 F346	F263-H323 HydrophobicContact CD1-CB 4Å; F263-H323 AromaticContact CD1-CG 3.92Å; F263-H323 AromaticContact CD1-ND1 3.68Å; F263-H323 HydrophobicContact CE1-CB 3.98Å; L266-H323 WeakPolarHBondContact CB-O 3.41Å; D321-H323 VanDerWaalsContact C-N 3.33Å; D321-H323 PolarHBondContact O-N 3.15Å; H323-F346 AromaticContact CD2-CD2 3.59Å; H323-F346 AromaticContact CD2-CE2 3.52Å; H323-F346 AromaticContact NE2-CD2 3.74Å; H323-F346 AromaticContact NE2-CE2 3.75Å
324	G	84.8	Confident	78.5	Confident	18 Å²	18	40 Å²	40	19%	0.186	23%	0.228	C	C	.	.			trans	73	-169.5	-175.6	0	0	0	0	0	113.1	L266 D321 V326	L266-G324 VanDerWaalsContact O-CA 3.27Å; L266-G324 WeakPolarHBondContact O-CA 3.22Å; D321-G324 PolarHBondContact O-N 2.83Å; D321-G324 VanDerWaalsContact O-N 3.1Å; G324-V326 PolarHBondContact O-N 3.1Å
325	D	91.1	Very high	80.5	Confident	41 Å²	41	40 Å²	40	22%	0.219	22%	0.219	C	C	.	.			trans	-78.4	103.3	173.2	177.2	13.6	0	0	0	109.9	P267 S270 S327	P267-D325 WeakPolarHBondContact O-CB 3.43Å; P267-D325 PolarHBondContact O-N 2.73Å; S270-D325 WeakPolarHBondContact CB-O 3.49Å; S270-D325 PolarHBondContact N-OD2 3.11Å; S270-D325 PolarHBondContact OG-O 3.32Å; D325-S327 VanDerWaalsContact OD1-CB 3.23Å; D325-S327 WeakPolarHBondContact OD1-CB 3.44Å; D325-S327 PolarHBondContact OD1-N 3.32Å; D325-S327 VanDerWaalsContact OD1-N 3.07Å; D325-S327 PolarHBondContact OD1-OG 2.94Å
326	V	93.1	Very high	82.4	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.024	24%	0.239	C	C	.	.			trans	-107.4	11.9	174.5	-68.5	0	0	0	0	112.2	F263 L266 G324 S328 L329 K349 M350	F263-V326 HydrophobicContact CE1-CG1 4.31Å; F263-V326 HydrophobicContact CZ-CG1 4.37Å; L266-V326 HydrophobicContact CD1-CG1 3.72Å; G324-V326 PolarHBondContact O-N 3.1Å; V326-S328 PolarHBondContact O-N 3.49Å; V326-S328 VanDerWaalsContact O-N 3.15Å; V326-L329 HydrophobicContact CB-CD1 3.83Å; V326-L329 HydrophobicContact CB-CG 4.28Å; V326-L329 HydrophobicContact CG1-CD1 3.98Å; V326-L329 PolarHBondContact O-N 2.94Å; V326-K349 CarbonylContact C-O 3.47Å; V326-K349 HydrophobicContact CG2-CB 3.85Å; V326-M350 HydrophobicContact CB-CE 4.27Å; V326-M350 HydrophobicContact CB-CG 4.1Å; V326-M350 HydrophobicContact CG1-CE 4.49Å; V326-M350 HydrophobicContact CG2-CE 4.13Å; V326-M350 HydrophobicContact CG2-CG 3.9Å
327	S	94.1	Very high	84.3	Confident	51 Å²	51	41.8 Å²	41.8	36%	0.357	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.9	-171.2	67.1	0	0	0	0	114.7	D325 K349 T352	D325-S327 VanDerWaalsContact OD1-CB 3.23Å; D325-S327 WeakPolarHBondContact OD1-CB 3.44Å; D325-S327 PolarHBondContact OD1-N 3.32Å; D325-S327 VanDerWaalsContact OD1-N 3.07Å; D325-S327 PolarHBondContact OD1-OG 2.94Å; S327-K349 WeakPolarHBondContact CA-O 3.14Å; S327-T352 PolarHBondContact O-OG1 2.91Å; S327-T352 VanDerWaalsContact O-OG1 3.06Å
328	S	96.2	Very high	86.2	Confident	45 Å²	45	45.8 Å²	45.8	32%	0.315	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	3.3	-177.9	-61.5	0	0	0	0	114.4	L272 V326 D330 T352	L272-S328 CarbonylContact O-C 3.56Å; V326-S328 PolarHBondContact O-N 3.49Å; V326-S328 VanDerWaalsContact O-N 3.15Å; S328-D330 PolarHBondContact O-N 2.58Å; S328-T352 WeakPolarHBondContact CA-OG1 3.36Å; S328-T352 PolarHBondContact O-OG1 3.42Å
329	L	97.3	Very high	87.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.			trans	-64.6	125.8	-179.6	-77.3	179.7	0	0	0	111.4	L272 L275 V326 M350 T352 L353	L272-L329 HydrophobicContact CB-CD2 4.35Å; L272-L329 HydrophobicContact CD2-CD2 4.02Å; L272-L329 HydrophobicContact CG-CD2 3.82Å; L272-L329 WeakPolarHBondContact O-CA 3.43Å; L272-L329 WeakPolarHBondContact O-CD2 3.45Å; L272-L329 PolarHBondContact O-N 3.02Å; L275-L329 HydrophobicContact CB-CD2 3.74Å; L275-L329 HydrophobicContact CD2-CD1 4.23Å; V326-L329 HydrophobicContact CB-CD1 3.83Å; V326-L329 HydrophobicContact CB-CG 4.28Å; V326-L329 HydrophobicContact CG1-CD1 3.98Å; V326-L329 PolarHBondContact O-N 2.94Å; L329-M350 HydrophobicContact CD1-CE 4.07Å; L329-M350 HydrophobicContact CD1-CG 4.22Å; L329-M350 HydrophobicContact CD1-SD 3.79Å; L329-T352 PolarHBondContact N-OG1 2.92Å; L329-T352 CarbonylContact O-C 3.26Å; L329-T352 WeakPolarHBondContact O-CB 3.49Å; L329-T352 PolarHBondContact O-OG1 3.04Å; L329-L353 HydrophobicContact CB-CD1 4.43Å; L329-L353 VanDerWaalsContact O-CA 3.23Å; L329-L353 WeakPolarHBondContact O-CA 3.45Å; L329-L353 PolarHBondContact O-N 2.81Å; L329-L353 VanDerWaalsContact O-N 3.09Å
330	D	97.8	Very high	89.6	Confident	44 Å²	44	44.2 Å²	44.2	24%	0.235	22%	0.222	C	C	.	.	S	Bend	trans	-101.1	-34.1	170.3	159.5	90.2	0	0	0	110.8	Q273 S328 S354 R355	Q273-D330 PolarHBondContact O-N 3.04Å; S328-D330 PolarHBondContact O-N 2.58Å; D330-S354 WeakPolarHBondContact O-CB 3.3Å; D330-S354 PolarHBondContact O-N 3.23Å; D330-S354 WeakPolarHBondContact OD1-CB 3.1Å; D330-R355 PolarHBondContact O-N 2.91Å; D330-R355 IonicContact OD1-NH1 2.76Å; D330-R355 PolarHBondContact OD1-NH1 3.38Å; D330-R355 VanDerWaalsContact OD1-NH1 3.17Å; D330-R355 IonicContact OD2-CZ 3.35Å; D330-R355 IonicContact OD2-NH1 3.17Å; D330-R355 PolarHBondContact OD2-NH1 3.01Å; D330-R355 IonicContact OD2-NH2 2.67Å; D330-R355 PolarHBondContact OD2-NH2 3.12Å
331	T	98.6	Very high	91.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.2	-178.9	-61.3	0	0	0	0	112.3	Q273 L275 Y276 R355 W357	Q273-T331 PolarHBondContact O-N 3.01Å; L275-T331 PolarHBondContact N-O 3.02Å; Y276-T331 HydrophobicContact CE1-CG2 4.17Å; T331-R355 WeakPolarHBondContact CA-O 3.42Å; T331-R355 HydrophobicContact CG2-CB 4.41Å; T331-R355 PolarHBondContact OG1-NE 3.32Å; T331-R355 PolarHBondContact OG1-NH2 2.94Å; T331-W357 HydrophobicContact CG2-CE3 4.39Å; T331-W357 HydrophobicContact CG2-CH2 4.39Å; T331-W357 HydrophobicContact CG2-CZ3 4.03Å
332	L	98.4	Very high	92.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.6	171.6	177.2	57.3	0	0	0	110.7	F263 L275 L277 L334 M350 L353 R355 L356 W357	F263-L332 HydrophobicContact CE2-CD1 4.29Å; L275-L332 HydrophobicContact CB-CD1 4.25Å; L275-L332 HydrophobicContact CD2-CD1 4.09Å; L275-L332 HydrophobicContact CG-CD1 4.08Å; L277-L332 HydrophobicContact CD1-CD1 4.26Å; L332-L334 HydrophobicContact CD1-CD2 4.49Å; L332-L334 HydrophobicContact CD1-CG 4.13Å; L332-L334 HydrophobicContact CD2-CD1 3.95Å; L332-L334 HydrophobicContact CD2-CG 4.37Å; L332-L334 HydrophobicContact CG-CD1 4.14Å; L332-L334 HydrophobicContact CG-CG 4.05Å; L332-M350 HydrophobicContact CD2-CE 4.01Å; L332-M350 HydrophobicContact CD2-SD 3.8Å; L332-L353 HydrophobicContact CB-CD1 3.9Å; L332-R355 PolarHBondContact N-O 3.49Å; L332-L356 HydrophobicContact CB-CD1 4.17Å; L332-L356 HydrophobicContact CD2-CD1 4.06Å; L332-L356 HydrophobicContact CG-CD1 4.11Å; L332-W357 PolarHBondContact O-N 3.08Å
333	D	98.8	Very high	93.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.011	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	104.9	175.9	-176.5	13.7	0	0	0	111.8	L275 Y276 L277 S278 R335 W357	L275-D333 PolarHBondContact O-N 3.14Å; Y276-D333 HydrophobicContact CD1-CB 3.79Å; L277-D333 CarbonylContact C-O 3.31Å; L277-D333 WeakPolarHBondContact CA-O 3.39Å; L277-D333 WeakPolarHBondContact CB-O 3.37Å; L277-D333 PolarHBondContact N-O 3.11Å; S278-D333 WeakPolarHBondContact CB-OD1 3.42Å; S278-D333 VanDerWaalsContact CB-OD2 3.23Å; S278-D333 WeakPolarHBondContact CB-OD2 3.31Å; S278-D333 PolarHBondContact N-O 2.89Å; S278-D333 PolarHBondContact OG-OD2 2.95Å; D333-R335 VanDerWaalsContact CG-NE 3.34Å; D333-R335 VanDerWaalsContact CG-NH2 3.33Å; D333-R335 VanDerWaalsContact OD1-CB 3.3Å; D333-R335 WeakPolarHBondContact OD1-CB 3.31Å; D333-R335 WeakPolarHBondContact OD1-CG 3.44Å; D333-R335 IonicContact OD1-CZ 2.73Å; D333-R335 PolarHBondContact OD1-N 3.09Å; D333-R335 IonicContact OD1-NE 3.2Å; D333-R335 PolarHBondContact OD1-NE 3.43Å; D333-R335 IonicContact OD1-NH2 3.87Å; D333-R335 IonicContact OD2-CZ 2.74Å; D333-R335 IonicContact OD2-NE 3.81Å; D333-R335 PolarHBondContact OD2-NE 3.36Å; D333-R335 IonicContact OD2-NH2 3.82Å; D333-R335 PolarHBondContact OD2-NH2 3.46Å; D333-W357 HydrophobicContact CB-CE3 3.93Å
334	L	98.2	Very high	93.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.			trans	-106.7	10.4	174.9	-71	168.2	0	0	0	112.5	L277 L282 L332 N337 F342 W357 M358 N361	L277-L334 HydrophobicContact CB-CD2 4.18Å; L277-L334 HydrophobicContact CD1-CD2 3.93Å; L282-L334 HydrophobicContact CD1-CD2 4.06Å; L282-L334 HydrophobicContact CD2-CD2 4.35Å; L332-L334 HydrophobicContact CD1-CD2 4.49Å; L332-L334 HydrophobicContact CD1-CG 4.13Å; L332-L334 HydrophobicContact CD2-CD1 3.95Å; L332-L334 HydrophobicContact CD2-CG 4.37Å; L332-L334 HydrophobicContact CG-CD1 4.14Å; L332-L334 HydrophobicContact CG-CG 4.05Å; L334-N337 WeakPolarHBondContact O-CB 3.45Å; L334-N337 PolarHBondContact O-ND2 3.13Å; L334-F342 HydrophobicContact CD1-CE1 3.98Å; L334-F342 HydrophobicContact CD1-CZ 4.18Å; L334-W357 CarbonylContact C-O 3.16Å; L334-W357 WeakPolarHBondContact CA-O 3.08Å; L334-W357 PolarHBondContact N-O 2.9Å; L334-M358 HydrophobicContact CB-CG 4.43Å; L334-M358 HydrophobicContact CD1-CE 4.18Å; L334-N361 PolarHBondContact O-ND2 3.07Å
335	R	98.7	Very high	93.4	Very high	81 Å²	81	40.8 Å²	40.8	31%	0.306	20%	0.2	S	C	.	.			trans	-55.4	144.7	-175.8	-66.9	174.6	-69.2	-162.1	1.6	112.6	S278 H279 D333 N337 W357 A359	S278-R335 CarbonylContact C-O 3.42Å; S278-R335 WeakPolarHBondContact CA-O 3.39Å; S278-R335 WeakPolarHBondContact CB-O 3.37Å; H279-R335 PolarHBondContact N-O 3.07Å; D333-R335 VanDerWaalsContact CG-NE 3.34Å; D333-R335 VanDerWaalsContact CG-NH2 3.33Å; D333-R335 VanDerWaalsContact OD1-CB 3.3Å; D333-R335 WeakPolarHBondContact OD1-CB 3.31Å; D333-R335 WeakPolarHBondContact OD1-CG 3.44Å; D333-R335 IonicContact OD1-CZ 2.73Å; D333-R335 PolarHBondContact OD1-N 3.09Å; D333-R335 IonicContact OD1-NE 3.2Å; D333-R335 PolarHBondContact OD1-NE 3.43Å; D333-R335 IonicContact OD1-NH2 3.87Å; D333-R335 IonicContact OD2-CZ 2.74Å; D333-R335 IonicContact OD2-NE 3.81Å; D333-R335 PolarHBondContact OD2-NE 3.36Å; D333-R335 IonicContact OD2-NH2 3.82Å; D333-R335 PolarHBondContact OD2-NH2 3.46Å; R335-N337 PolarHBondContact O-ND2 2.94Å; R335-W357 HydrophobicContact CG-CB 3.74Å; R335-W357 PolarHBondContact N-O 3.33Å; R335-A359 CarbonylContact C-O 3.59Å; R335-A359 WeakPolarHBondContact CA-O 3.35Å; R335-A359 WeakPolarHBondContact CB-O 3.49Å; R335-A359 HydrophobicContact CG-CB 3.97Å
336	R	98.4	Very high	93.1	Very high	142 Å²	142	39 Å²	39	54%	0.536	19%	0.191	S	C	.	.	S	Bend	trans	55.7	52.2	179.1	-64.2	174	176.3	170.4	1	112.5	H279 N280 A359 T360	H279-R336 VanDerWaalsContact CA-O 3.25Å; H279-R336 WeakPolarHBondContact CA-O 3.31Å; H279-R336 PolarHBondContact N-O 2.73Å; H279-R336 PolarHBondContact NE2-NH1 3.24Å; H279-R336 VanDerWaalsContact NE2-NH1 3.11Å; N280-R336 PolarHBondContact N-O 3.2Å; R336-A359 PolarHBondContact N-O 3.03Å; R336-T360 WeakPolarHBondContact CA-O 3.48Å; R336-T360 HydrophobicContact CG-CG2 3.96Å; R336-T360 PolarHBondContact N-O 2.87Å; R336-T360 VanDerWaalsContact N-O 3.09Å
337	N	98.4	Very high	92.9	Very high	12 Å²	12	39.2 Å²	39.2	6%	0.064	19%	0.192	C	C	.	.	S	Bend	trans	-116.8	-157.6	169.7	-85.6	-74.8	0	0	0	109.9	L277 N280 I281 L282 L334 R335 V339 T360 N361	L277-N337 PolarHBondContact O-ND2 2.94Å; N280-N337 VanDerWaalsContact CA-OD1 3.27Å; N280-N337 WeakPolarHBondContact CA-OD1 3.18Å; N280-N337 WeakPolarHBondContact CB-OD1 3.35Å; N280-N337 PolarHBondContact N-OD1 3.39Å; N280-N337 PolarHBondContact O-OD1 3.13Å; I281-N337 PolarHBondContact N-OD1 2.95Å; L282-N337 HydrophobicContact CB-CB 4.28Å; L282-N337 WeakPolarHBondContact CB-OD1 3.24Å; L282-N337 PolarHBondContact N-OD1 2.67Å; L334-N337 WeakPolarHBondContact O-CB 3.45Å; L334-N337 PolarHBondContact O-ND2 3.13Å; R335-N337 PolarHBondContact O-ND2 2.94Å; N337-V339 HydrophobicContact CB-CG2 4.24Å; N337-T360 PolarHBondContact N-O 2.78Å; N337-N361 VanDerWaalsContact CA-OD1 3.29Å; N337-N361 WeakPolarHBondContact CA-OD1 3.4Å; N337-N361 WeakPolarHBondContact CB-OD1 3.5Å; N337-N361 PolarHBondContact N-OD1 3.2Å; N337-N361 PolarHBondContact O-OD1 2.84Å
338	R	96.8	Very high	92.4	Very high	114 Å²	114	42 Å²	42	43%	0.43	20%	0.199	S	C	.	.			trans	-124.9	18.5	-179.3	-63.9	177.1	177.3	176.1	-2.2	112.4	L282 R283 D340 N361	L282-R338 CarbonylContact O-C 3.43Å; L282-R338 PolarHBondContact O-N 3.2Å; L282-R338 VanDerWaalsContact O-N 3.16Å; R283-R338 HydrophobicContact CG-CB 3.8Å; R283-R338 WeakPolarHBondContact CG-O 3.09Å; R283-R338 PolarHBondContact NE-O 2.82Å; R338-D340 PolarHBondContact O-N 2.85Å; R338-N361 PolarHBondContact N-OD1 2.96Å
339	V	94.6	Very high	92.1	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.198	C	C	.	.			trans	-62.2	117.6	-175.5	179.4	0	0	0	0	109.9	L282 F284 N337 Y341 M358 N361 C362 L363	L282-V339 HydrophobicContact CD2-CG2 3.67Å; L282-V339 PolarHBondContact O-N 2.76Å; F284-V339 HydrophobicContact CD2-CG1 4.07Å; F284-V339 HydrophobicContact CE2-CG1 3.94Å; F284-V339 HydrophobicContact CE2-CG2 4.24Å; N337-V339 HydrophobicContact CB-CG2 4.24Å; V339-Y341 VanDerWaalsContact CG1-O 3.3Å; V339-Y341 WeakPolarHBondContact CG1-O 3.48Å; V339-M358 HydrophobicContact CB-CE 4.31Å; V339-M358 HydrophobicContact CG1-CE 3.8Å; V339-N361 HydrophobicContact CB-CB 4.42Å; V339-N361 WeakPolarHBondContact CB-OD1 3.44Å; V339-N361 PolarHBondContact N-OD1 2.79Å; V339-C362 CarbonylContact O-C 3.06Å; V339-C362 VanDerWaalsContact O-C 3.31Å; V339-C362 VanDerWaalsContact O-CA 3.28Å; V339-C362 WeakPolarHBondContact O-CA 3.3Å; V339-C362 WeakPolarHBondContact O-CB 3.35Å; V339-C362 PolarHBondContact O-N 2.99Å; V339-L363 HydrophobicContact CG1-CD2 4.31Å; V339-L363 PolarHBondContact O-N 2.73Å; V339-L363 VanDerWaalsContact O-N 3.14Å
340	D	92.6	Very high	91.9	Very high	49 Å²	49	43 Å²	43	26%	0.262	20%	0.198	S	C	.	.			trans	-107.4	-21.7	-177	23.2	37	0	0	0	112.9	R283 R338 C362	R283-D340 IonicContact CZ-OD2 3.31Å; R283-D340 IonicContact NE-OD2 2.75Å; R283-D340 PolarHBondContact NE-OD2 2.69Å; R283-D340 IonicContact NH2-OD2 2.73Å; R283-D340 PolarHBondContact NH2-OD2 3.36Å; R338-D340 PolarHBondContact O-N 2.85Å; D340-C362 HydrophobicContact CB-CB 3.93Å
341	Y	89	Confident	91.7	Very high	66 Å²	66	44.1 Å²	44.1	26%	0.259	21%	0.207	S	C	.	.			trans	-153.5	171.4	170	71.1	-72.9	0	0	0	110.7	F284 E286 H287 V339	F284-Y341 HydrophobicContact CB-CE1 4.2Å; F284-Y341 HydrophobicContact CB-CE2 4.4Å; F284-Y341 VanDerWaalsContact CD2-O 3.25Å; F284-Y341 WeakPolarHBondContact CD2-O 3.15Å; F284-Y341 WeakPolarHBondContact O-CE1 3.47Å; E286-Y341 HydrophobicContact CB-CE2 4.27Å; E286-Y341 WeakPolarHBondContact CB-OH 3.48Å; E286-Y341 PolarHBondContact N-OH 2.67Å; H287-Y341 PolarHBondContact N-OH 2.96Å; H287-Y341 AromaticContact ND1-CE1 3.81Å; H287-Y341 AromaticContact ND1-CZ 3.78Å; H287-Y341 PolarHBondContact ND1-OH 3Å; V339-Y341 VanDerWaalsContact CG1-O 3.3Å; V339-Y341 WeakPolarHBondContact CG1-O 3.48Å
342	F	86.3	Confident	91.5	Very high	31 Å²	31	46.8 Å²	46.8	14%	0.136	22%	0.224	C	C	.	.			trans	-107.8	143.3	165.2	-81.4	-58	0	0	0	110.3	F284 L334 F346 I347 L356 M358	F284-F342 AromaticContact CE2-CD1 3.79Å; F284-F342 HydrophobicContact CE2-CD1 3.79Å; F284-F342 HydrophobicContact CE2-CE1 4.12Å; F284-F342 HydrophobicContact CZ-CD1 4.14Å; F284-F342 HydrophobicContact CZ-CE1 4.39Å; L334-F342 HydrophobicContact CD1-CE1 3.98Å; L334-F342 HydrophobicContact CD1-CZ 4.18Å; F342-F346 AromaticContact CD1-CD1 3.55Å; F342-F346 HydrophobicContact CD1-CD1 3.55Å; F342-F346 AromaticContact CD1-CE1 3.98Å; F342-F346 HydrophobicContact CD1-CE1 3.98Å; F342-F346 HydrophobicContact CD1-CG 4.41Å; F342-F346 AromaticContact CE1-CD1 3.8Å; F342-F346 HydrophobicContact CE1-CD1 3.8Å; F342-F346 AromaticContact CE1-CE1 3.81Å; F342-F346 HydrophobicContact CE1-CE1 3.81Å; F342-F346 HydrophobicContact CG-CD1 4.43Å; F342-I347 HydrophobicContact CD1-CD1 4.41Å; F342-I347 HydrophobicContact CD2-CG1 4.26Å; F342-I347 HydrophobicContact CE1-CD1 3.91Å; F342-I347 HydrophobicContact CE1-CG1 4.44Å; F342-I347 HydrophobicContact CE2-CD1 4.16Å; F342-I347 HydrophobicContact CE2-CG1 4.14Å; F342-I347 HydrophobicContact CG-CG1 4.43Å; F342-I347 HydrophobicContact CZ-CD1 3.75Å; F342-I347 HydrophobicContact CZ-CG1 4.22Å; F342-L356 HydrophobicContact CE2-CD2 4.47Å; F342-L356 HydrophobicContact CZ-CD2 4.4Å; F342-M358 HydrophobicContact CE1-CE 3.91Å; F342-M358 HydrophobicContact CE1-SD 4.48Å; F342-M358 HydrophobicContact CE2-CE 3.61Å; F342-M358 HydrophobicContact CE2-SD 3.42Å; F342-M358 WeakPolarHBondContact CE2-SD 3.28Å; F342-M358 HydrophobicContact CZ-CE 3.24Å; F342-M358 HydrophobicContact CZ-SD 3.32Å; F342-M358 WeakPolarHBondContact CZ-SD 3.42Å
343	P	83.7	Confident	91.4	Very high	17 Å²	17	46.9 Å²	46.9	11%	0.11	22%	0.224	C	C	.	.			trans	-60.6	151.5	168.5	-20.4	32	0	0	0	112.1	F284 E286 G345 F346	F284-P343 HydrophobicContact CB-CG 3.96Å; F284-P343 HydrophobicContact CD1-CG 3.37Å; F284-P343 HydrophobicContact CE1-CG 3.93Å; F284-P343 HydrophobicContact CG-CG 3.7Å; E286-P343 WeakPolarHBondContact OE2-CA 3.5Å; E286-P343 VanDerWaalsContact OE2-CB 3.29Å; E286-P343 WeakPolarHBondContact OE2-CB 3.46Å; P343-G345 PolarHBondContact O-N 2.96Å; P343-F346 HydrophobicContact CB-CB 4.09Å; P343-F346 HydrophobicContact CG-CB 4.27Å; P343-F346 HydrophobicContact CG-CD2 4.42Å; P343-F346 HydrophobicContact CG-CG 4.49Å; P343-F346 VanDerWaalsContact O-CB 3.22Å; P343-F346 WeakPolarHBondContact O-CB 3.21Å; P343-F346 PolarHBondContact O-N 3.11Å; P343-F346 VanDerWaalsContact O-N 3.1Å
344	D	77.9	Confident	91.4	Very high	135 Å²	135	47.8 Å²	47.8	72%	0.722	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	133	179.1	-84.7	-28.7	0	0	0	110.8	F346	D344-F346 PolarHBondContact O-N 3.15Å; D344-F346 VanDerWaalsContact O-N 3.12Å
345	G	80.6	Confident	91.4	Very high	21 Å²	21	50.9 Å²	50.9	22%	0.216	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	-1.3	-176.6	0	0	0	0	0	116.4	P343 I347 Q348 K349	P343-G345 PolarHBondContact O-N 2.96Å; G345-I347 PolarHBondContact O-N 3.49Å; G345-Q348 WeakPolarHBondContact O-CB 3.35Å; G345-Q348 PolarHBondContact O-N 2.81Å; G345-K349 PolarHBondContact O-N 3.47Å
346	F	85.8	Confident	91.3	Very high	5 Å²	5	47 Å²	47	2%	0.022	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-46.5	-175.2	177.8	-99.5	0	0	0	113.6	F263 F284 H323 F342 P343 D344 M350	F263-F346 HydrophobicContact CD1-CE2 4.48Å; F263-F346 HydrophobicContact CD2-CE2 4.34Å; F263-F346 AromaticContact CD2-CZ 3.79Å; F263-F346 HydrophobicContact CD2-CZ 3.79Å; F263-F346 HydrophobicContact CE2-CE2 4.5Å; F263-F346 AromaticContact CE2-CZ 3.75Å; F263-F346 HydrophobicContact CE2-CZ 3.75Å; F263-F346 HydrophobicContact CG-CE2 4.33Å; F263-F346 HydrophobicContact CG-CZ 4.23Å; F263-F346 HydrophobicContact CZ-CZ 4.15Å; F284-F346 HydrophobicContact CE1-CD2 4.03Å; F284-F346 HydrophobicContact CE1-CE1 4.4Å; F284-F346 AromaticContact CE1-CE2 3.7Å; F284-F346 HydrophobicContact CE1-CE2 3.7Å; F284-F346 AromaticContact CE1-CZ 3.91Å; F284-F346 HydrophobicContact CE1-CZ 3.91Å; F284-F346 HydrophobicContact CZ-CD1 4.27Å; F284-F346 HydrophobicContact CZ-CD2 4.39Å; F284-F346 AromaticContact CZ-CE1 3.85Å; F284-F346 HydrophobicContact CZ-CE1 3.85Å; F284-F346 AromaticContact CZ-CE2 3.98Å; F284-F346 HydrophobicContact CZ-CE2 3.98Å; F284-F346 AromaticContact CZ-CZ 3.7Å; F284-F346 HydrophobicContact CZ-CZ 3.7Å; H323-F346 AromaticContact CD2-CD2 3.59Å; H323-F346 AromaticContact CD2-CE2 3.52Å; H323-F346 AromaticContact NE2-CD2 3.74Å; H323-F346 AromaticContact NE2-CE2 3.75Å; F342-F346 AromaticContact CD1-CD1 3.55Å; F342-F346 HydrophobicContact CD1-CD1 3.55Å; F342-F346 AromaticContact CD1-CE1 3.98Å; F342-F346 HydrophobicContact CD1-CE1 3.98Å; F342-F346 HydrophobicContact CD1-CG 4.41Å; F342-F346 AromaticContact CE1-CD1 3.8Å; F342-F346 HydrophobicContact CE1-CD1 3.8Å; F342-F346 AromaticContact CE1-CE1 3.81Å; F342-F346 HydrophobicContact CE1-CE1 3.81Å; F342-F346 HydrophobicContact CG-CD1 4.43Å; P343-F346 HydrophobicContact CB-CB 4.09Å; P343-F346 HydrophobicContact CG-CB 4.27Å; P343-F346 HydrophobicContact CG-CD2 4.42Å; P343-F346 HydrophobicContact CG-CG 4.49Å; P343-F346 VanDerWaalsContact O-CB 3.22Å; P343-F346 WeakPolarHBondContact O-CB 3.21Å; P343-F346 PolarHBondContact O-N 3.11Å; P343-F346 VanDerWaalsContact O-N 3.1Å; D344-F346 PolarHBondContact O-N 3.15Å; D344-F346 VanDerWaalsContact O-N 3.12Å; F346-M350 HydrophobicContact CD1-CE 4.29Å; F346-M350 HydrophobicContact CE1-CE 3.6Å; F346-M350 HydrophobicContact CE2-CE 4.19Å; F346-M350 HydrophobicContact CZ-CE 3.53Å
347	I	88.1	Confident	91.3	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.036	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-23.3	178.1	-57.4	-64.1	0	0	0	112.3	F342 G345 K349 M350 L353 L356 Q372 F373	F342-I347 HydrophobicContact CD1-CD1 4.41Å; F342-I347 HydrophobicContact CD2-CG1 4.26Å; F342-I347 HydrophobicContact CE1-CD1 3.91Å; F342-I347 HydrophobicContact CE1-CG1 4.44Å; F342-I347 HydrophobicContact CE2-CD1 4.16Å; F342-I347 HydrophobicContact CE2-CG1 4.14Å; F342-I347 HydrophobicContact CG-CG1 4.43Å; F342-I347 HydrophobicContact CZ-CD1 3.75Å; F342-I347 HydrophobicContact CZ-CG1 4.22Å; G345-I347 PolarHBondContact O-N 3.49Å; I347-K349 PolarHBondContact O-N 3.45Å; I347-M350 HydrophobicContact CD1-SD 4.38Å; I347-M350 PolarHBondContact O-N 3.18Å; I347-L353 HydrophobicContact CG2-CD2 4.15Å; I347-L356 HydrophobicContact CD1-CD2 4.31Å; I347-Q372 WeakPolarHBondContact CB-O 3.4Å; I347-Q372 WeakPolarHBondContact CG2-O 3.34Å; I347-F373 HydrophobicContact CG2-CD1 4.5Å
348	Q	85.3	Confident	91.2	Very high	110 Å²	110	41.7 Å²	41.7	51%	0.514	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.8	174.3	-57.8	-179.9	22	0	0	111.9	G345 M350 E371	G345-Q348 WeakPolarHBondContact O-CB 3.35Å; G345-Q348 PolarHBondContact O-N 2.81Å; Q348-M350 PolarHBondContact O-N 3.49Å; Q348-M350 VanDerWaalsContact O-N 3.15Å; Q348-E371 WeakPolarHBondContact CG-O 3.18Å; Q348-E371 PolarHBondContact NE2-O 2.97Å
349	K	89.1	Confident	91.3	Very high	66 Å²	66	36.8 Å²	36.8	29%	0.287	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-8.1	174.1	-61.3	176.2	-178.2	178.4	0	112.9	D320 V326 S327 G345 I347 P351	D320-K349 PolarHBondContact O-NZ 3.05Å; D320-K349 IonicContact OD1-NZ 2.7Å; D320-K349 PolarHBondContact OD1-NZ 2.97Å; V326-K349 CarbonylContact C-O 3.47Å; V326-K349 HydrophobicContact CG2-CB 3.85Å; S327-K349 WeakPolarHBondContact CA-O 3.14Å; G345-K349 PolarHBondContact O-N 3.47Å; I347-K349 PolarHBondContact O-N 3.45Å; K349-P351 VanDerWaalsContact O-CD 3.29Å; K349-P351 WeakPolarHBondContact O-CD 3.3Å
350	M	93.3	Very high	91.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.			trans	-118	61.5	-179.7	-50.5	177.1	-171	0	0	111.4	F263 V326 L329 L332 F346 I347 Q348 T352 L353	F263-M350 HydrophobicContact CZ-CE 4.31Å; V326-M350 HydrophobicContact CB-CE 4.27Å; V326-M350 HydrophobicContact CB-CG 4.1Å; V326-M350 HydrophobicContact CG1-CE 4.49Å; V326-M350 HydrophobicContact CG2-CE 4.13Å; V326-M350 HydrophobicContact CG2-CG 3.9Å; L329-M350 HydrophobicContact CD1-CE 4.07Å; L329-M350 HydrophobicContact CD1-CG 4.22Å; L329-M350 HydrophobicContact CD1-SD 3.79Å; L332-M350 HydrophobicContact CD2-CE 4.01Å; L332-M350 HydrophobicContact CD2-SD 3.8Å; F346-M350 HydrophobicContact CD1-CE 4.29Å; F346-M350 HydrophobicContact CE1-CE 3.6Å; F346-M350 HydrophobicContact CE2-CE 4.19Å; F346-M350 HydrophobicContact CZ-CE 3.53Å; I347-M350 HydrophobicContact CD1-SD 4.38Å; I347-M350 PolarHBondContact O-N 3.18Å; Q348-M350 PolarHBondContact O-N 3.49Å; Q348-M350 VanDerWaalsContact O-N 3.15Å; M350-T352 PolarHBondContact O-N 3.33Å; M350-T352 VanDerWaalsContact O-N 3.16Å; M350-L353 HydrophobicContact CB-CB 4.01Å; M350-L353 HydrophobicContact CB-CD2 4.46Å; M350-L353 VanDerWaalsContact O-CB 3.22Å; M350-L353 WeakPolarHBondContact O-CB 3.4Å; M350-L353 PolarHBondContact O-N 3.41Å; M350-L353 HydrophobicContact SD-CD2 4.34Å
351	P	92.6	Very high	91.8	Very high	67 Å²	67	37.3 Å²	37.3	44%	0.435	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.9	-172.3	27.8	-36.4	0	0	0	113.8	K349 S374 N376	K349-P351 VanDerWaalsContact O-CD 3.29Å; K349-P351 WeakPolarHBondContact O-CD 3.3Å; P351-S374 PolarHBondContact O-OG 3.34Å; P351-N376 PolarHBondContact O-ND2 3.43Å
352	T	95.6	Very high	92.2	Very high	58 Å²	58	35.4 Å²	35.4	36%	0.356	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.5	175.8	48.2	0	0	0	0	114.5	S327 S328 L329 M350 S354	S327-T352 PolarHBondContact O-OG1 2.91Å; S327-T352 VanDerWaalsContact O-OG1 3.06Å; S328-T352 WeakPolarHBondContact CA-OG1 3.36Å; S328-T352 PolarHBondContact O-OG1 3.42Å; L329-T352 PolarHBondContact N-OG1 2.92Å; L329-T352 CarbonylContact O-C 3.26Å; L329-T352 WeakPolarHBondContact O-CB 3.49Å; L329-T352 PolarHBondContact O-OG1 3.04Å; M350-T352 PolarHBondContact O-N 3.33Å; M350-T352 VanDerWaalsContact O-N 3.16Å; T352-S354 PolarHBondContact O-N 2.83Å
353	L	96.4	Very high	92.6	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	19%	0.187	C	C	.	.			trans	-61	120.2	-168	-169.6	69.4	0	0	0	112.3	L329 L332 I347 M350 L356 N376 L377	L329-L353 HydrophobicContact CB-CD1 4.43Å; L329-L353 VanDerWaalsContact O-CA 3.23Å; L329-L353 WeakPolarHBondContact O-CA 3.45Å; L329-L353 PolarHBondContact O-N 2.81Å; L329-L353 VanDerWaalsContact O-N 3.09Å; L332-L353 HydrophobicContact CB-CD1 3.9Å; I347-L353 HydrophobicContact CG2-CD2 4.15Å; M350-L353 HydrophobicContact CB-CB 4.01Å; M350-L353 HydrophobicContact CB-CD2 4.46Å; M350-L353 VanDerWaalsContact O-CB 3.22Å; M350-L353 WeakPolarHBondContact O-CB 3.4Å; M350-L353 PolarHBondContact O-N 3.41Å; M350-L353 HydrophobicContact SD-CD2 4.34Å; L353-L356 HydrophobicContact CD2-CB 4.17Å; L353-L356 HydrophobicContact CD2-CD2 4.37Å; L353-N376 CarbonylContact O-C 3.19Å; L353-L377 VanDerWaalsContact O-CA 3.31Å; L353-L377 WeakPolarHBondContact O-CA 3.49Å; L353-L377 PolarHBondContact O-N 3.46Å
354	S	97.3	Very high	93.1	Very high	20 Å²	20	38.2 Å²	38.2	14%	0.14	20%	0.204	C	C	.	.			trans	-107.5	-36.9	-175.7	-176.3	0	0	0	0	111.7	D330 T352 Y378 E379	D330-S354 WeakPolarHBondContact O-CB 3.3Å; D330-S354 PolarHBondContact O-N 3.23Å; D330-S354 WeakPolarHBondContact OD1-CB 3.1Å; T352-S354 PolarHBondContact O-N 2.83Å; S354-Y378 WeakPolarHBondContact O-CB 3.29Å; S354-Y378 PolarHBondContact O-N 3.37Å; S354-E379 PolarHBondContact O-N 2.9Å; S354-E379 VanDerWaalsContact O-N 3.1Å
355	R	98.5	Very high	93.8	Very high	65 Å²	65	36 Å²	36	25%	0.245	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	118.8	-177.6	-63.1	-176.4	-66.3	-63.6	6.2	110.9	D330 T331 L332 E379	D330-R355 PolarHBondContact O-N 2.91Å; D330-R355 IonicContact OD1-NH1 2.76Å; D330-R355 PolarHBondContact OD1-NH1 3.38Å; D330-R355 VanDerWaalsContact OD1-NH1 3.17Å; D330-R355 IonicContact OD2-CZ 3.35Å; D330-R355 IonicContact OD2-NH1 3.17Å; D330-R355 PolarHBondContact OD2-NH1 3.01Å; D330-R355 IonicContact OD2-NH2 2.67Å; D330-R355 PolarHBondContact OD2-NH2 3.12Å; T331-R355 WeakPolarHBondContact CA-O 3.42Å; T331-R355 HydrophobicContact CG2-CB 4.41Å; T331-R355 PolarHBondContact OG1-NE 3.32Å; T331-R355 PolarHBondContact OG1-NH2 2.94Å; L332-R355 PolarHBondContact N-O 3.49Å; R355-E379 WeakPolarHBondContact CD-OE2 3.27Å; R355-E379 HydrophobicContact CG-CB 4.11Å
356	L	97.8	Very high	94.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	110.8	176.3	178.1	55.6	0	0	0	110	L332 F342 I347 L353 M358 F373 L377 E379 L380 D381	L332-L356 HydrophobicContact CB-CD1 4.17Å; L332-L356 HydrophobicContact CD2-CD1 4.06Å; L332-L356 HydrophobicContact CG-CD1 4.11Å; F342-L356 HydrophobicContact CE2-CD2 4.47Å; F342-L356 HydrophobicContact CZ-CD2 4.4Å; I347-L356 HydrophobicContact CD1-CD2 4.31Å; L353-L356 HydrophobicContact CD2-CB 4.17Å; L353-L356 HydrophobicContact CD2-CD2 4.37Å; L356-M358 HydrophobicContact CD1-CG 3.9Å; L356-M358 HydrophobicContact CD1-SD 4.3Å; L356-M358 HydrophobicContact CD2-SD 4.24Å; L356-M358 HydrophobicContact CG-CG 4Å; L356-M358 HydrophobicContact CG-SD 4.26Å; L356-F373 HydrophobicContact CD2-CD1 4.42Å; L356-F373 HydrophobicContact CD2-CE1 3.91Å; L356-L377 HydrophobicContact CB-CD1 4Å; L356-E379 PolarHBondContact N-O 2.68Å; L356-L380 HydrophobicContact CB-CD1 3.95Å; L356-L380 HydrophobicContact CD2-CD1 3.82Å; L356-L380 HydrophobicContact CG-CD1 3.96Å; L356-D381 PolarHBondContact O-N 2.99Å
357	W	98.6	Very high	94.5	Very high	42 Å²	42	37.1 Å²	37.1	16%	0.159	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.3	179.3	-59.7	-39.5	0	0	0	111	Y276 T331 L332 D333 L334 R335 E379	Y276-W357 HydrophobicContact CE1-CZ3 4.27Å; T331-W357 HydrophobicContact CG2-CE3 4.39Å; T331-W357 HydrophobicContact CG2-CH2 4.39Å; T331-W357 HydrophobicContact CG2-CZ3 4.03Å; L332-W357 PolarHBondContact O-N 3.08Å; D333-W357 HydrophobicContact CB-CE3 3.93Å; L334-W357 CarbonylContact C-O 3.16Å; L334-W357 WeakPolarHBondContact CA-O 3.08Å; L334-W357 PolarHBondContact N-O 2.9Å; R335-W357 HydrophobicContact CG-CB 3.74Å; R335-W357 PolarHBondContact N-O 3.33Å; W357-E379 VanDerWaalsContact NE1-CD 3.26Å; W357-E379 PolarHBondContact NE1-OE1 2.83Å
358	M	96.6	Very high	94.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.			trans	-128.8	11.2	-176.8	-58.7	-168.2	76.5	0	0	113.3	L334 V339 F342 L356 T360 N361 L363 D381 I382 N385	L334-M358 HydrophobicContact CB-CG 4.43Å; L334-M358 HydrophobicContact CD1-CE 4.18Å; V339-M358 HydrophobicContact CB-CE 4.31Å; V339-M358 HydrophobicContact CG1-CE 3.8Å; F342-M358 HydrophobicContact CE1-CE 3.91Å; F342-M358 HydrophobicContact CE1-SD 4.48Å; F342-M358 HydrophobicContact CE2-CE 3.61Å; F342-M358 HydrophobicContact CE2-SD 3.42Å; F342-M358 WeakPolarHBondContact CE2-SD 3.28Å; F342-M358 HydrophobicContact CZ-CE 3.24Å; F342-M358 HydrophobicContact CZ-SD 3.32Å; F342-M358 WeakPolarHBondContact CZ-SD 3.42Å; L356-M358 HydrophobicContact CD1-CG 3.9Å; L356-M358 HydrophobicContact CD1-SD 4.3Å; L356-M358 HydrophobicContact CD2-SD 4.24Å; L356-M358 HydrophobicContact CG-CG 4Å; L356-M358 HydrophobicContact CG-SD 4.26Å; M358-T360 PolarHBondContact O-N 3.43Å; M358-N361 WeakPolarHBondContact O-CB 3.07Å; M358-N361 PolarHBondContact O-ND2 2.75Å; M358-L363 HydrophobicContact CE-CD1 3.66Å; M358-L363 HydrophobicContact CE-CG 4.37Å; M358-L363 HydrophobicContact SD-CD1 3.91Å; M358-D381 CarbonylContact C-O 3.49Å; M358-D381 WeakPolarHBondContact CA-O 3.42Å; M358-D381 PolarHBondContact N-O 3.49Å; M358-I382 HydrophobicContact CB-CG1 4.38Å; M358-N385 PolarHBondContact O-ND2 2.78Å
359	A	98.4	Very high	94.2	Very high	11 Å²	11	31.6 Å²	31.6	9%	0.091	17%	0.17	C	C	.	.			trans	-51.4	135.6	-179.2	0	0	0	0	0	113.4	R335 R336 D381 S383	R335-A359 CarbonylContact C-O 3.59Å; R335-A359 WeakPolarHBondContact CA-O 3.35Å; R335-A359 WeakPolarHBondContact CB-O 3.49Å; R335-A359 HydrophobicContact CG-CB 3.97Å; R336-A359 PolarHBondContact N-O 3.03Å; A359-D381 WeakPolarHBondContact CB-OD2 3.26Å; A359-D381 PolarHBondContact N-O 3.04Å; A359-S383 CarbonylContact C-O 3.55Å; A359-S383 WeakPolarHBondContact CA-O 3.48Å; A359-S383 VanDerWaalsContact CB-OG 3.24Å; A359-S383 WeakPolarHBondContact CB-OG 3.01Å
360	T	98.3	Very high	93.5	Very high	49 Å²	49	31 Å²	31	30%	0.301	17%	0.172	S	C	.	.	S	Bend	trans	63.2	71.3	-174.3	-43.9	0	0	0	0	112.3	R336 N337 M358 S383 N384	R336-T360 WeakPolarHBondContact CA-O 3.48Å; R336-T360 HydrophobicContact CG-CG2 3.96Å; R336-T360 PolarHBondContact N-O 2.87Å; R336-T360 VanDerWaalsContact N-O 3.09Å; N337-T360 PolarHBondContact N-O 2.78Å; M358-T360 PolarHBondContact O-N 3.43Å; T360-S383 PolarHBondContact N-O 3.08Å; T360-N384 VanDerWaalsContact CA-O 3.23Å; T360-N384 WeakPolarHBondContact CA-O 3.45Å; T360-N384 WeakPolarHBondContact CG2-ND2 3.33Å; T360-N384 PolarHBondContact OG1-ND2 3.24Å
361	N	98.4	Very high	92.6	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.064	20%	0.199	C	C	.	.	S	Bend	trans	-136	-162.4	172.2	-91.4	-74.9	0	0	0	109.9	L334 N337 R338 V339 M358 N385	L334-N361 PolarHBondContact O-ND2 3.07Å; N337-N361 VanDerWaalsContact CA-OD1 3.29Å; N337-N361 WeakPolarHBondContact CA-OD1 3.4Å; N337-N361 WeakPolarHBondContact CB-OD1 3.5Å; N337-N361 PolarHBondContact N-OD1 3.2Å; N337-N361 PolarHBondContact O-OD1 2.84Å; R338-N361 PolarHBondContact N-OD1 2.96Å; V339-N361 HydrophobicContact CB-CB 4.42Å; V339-N361 WeakPolarHBondContact CB-OD1 3.44Å; V339-N361 PolarHBondContact N-OD1 2.79Å; M358-N361 WeakPolarHBondContact O-CB 3.07Å; M358-N361 PolarHBondContact O-ND2 2.75Å; N361-N385 WeakPolarHBondContact CA-OD1 3.44Å; N361-N385 WeakPolarHBondContact CB-OD1 3.14Å; N361-N385 PolarHBondContact N-ND2 2.72Å
362	C	97.1	Very high	92	Very high	25 Å²	25	36.4 Å²	36.4	17%	0.169	19%	0.192	C	C	.	.			trans	-116	10.7	-174.2	-68	0	0	0	0	114.3	V339 D340 E364 N385	V339-C362 CarbonylContact O-C 3.06Å; V339-C362 VanDerWaalsContact O-C 3.31Å; V339-C362 VanDerWaalsContact O-CA 3.28Å; V339-C362 WeakPolarHBondContact O-CA 3.3Å; V339-C362 WeakPolarHBondContact O-CB 3.35Å; V339-C362 PolarHBondContact O-N 2.99Å; D340-C362 HydrophobicContact CB-CB 3.93Å; C362-E364 WeakPolarHBondContact O-CG 3.35Å; C362-E364 PolarHBondContact O-N 3.41Å; C362-N385 PolarHBondContact N-OD1 2.66Å
363	L	95.7	Very high	91.5	Very high	9 Å²	9	34 Å²	34	5%	0.047	18%	0.176	C	C	.	.			trans	-59.6	128.6	-176.9	-68.6	170.1	0	0	0	111.6	V339 M358 I382 N385 K386 L387	V339-L363 HydrophobicContact CG1-CD2 4.31Å; V339-L363 PolarHBondContact O-N 2.73Å; V339-L363 VanDerWaalsContact O-N 3.14Å; M358-L363 HydrophobicContact CE-CD1 3.66Å; M358-L363 HydrophobicContact CE-CG 4.37Å; M358-L363 HydrophobicContact SD-CD1 3.91Å; L363-I382 HydrophobicContact CD1-CG2 3.59Å; L363-N385 HydrophobicContact CB-CB 4.4Å; L363-N385 WeakPolarHBondContact CB-OD1 3.5Å; L363-N385 PolarHBondContact N-OD1 3.32Å; L363-N385 VanDerWaalsContact N-OD1 3.12Å; L363-K386 CarbonylContact O-C 3.48Å; L363-K386 VanDerWaalsContact O-C 3.26Å; L363-K386 WeakPolarHBondContact O-CA 3.43Å; L363-K386 WeakPolarHBondContact O-CB 3.23Å; L363-K386 PolarHBondContact O-N 2.95Å; L363-L387 HydrophobicContact CB-CD2 3.82Å; L363-L387 PolarHBondContact O-N 3.37Å; L363-L387 VanDerWaalsContact O-N 3.1Å
364	E	94.7	Very high	90.9	Very high	99 Å²	99	34.9 Å²	34.9	46%	0.463	18%	0.182	S	C	.	.			trans	-104.1	-22.2	-178.3	-56.4	-165.7	168.1	0	0	113.2	C362 K386 L387 S388	C362-E364 WeakPolarHBondContact O-CG 3.35Å; C362-E364 PolarHBondContact O-N 3.41Å; E364-K386 HydrophobicContact CG-CB 3.98Å; E364-K386 HydrophobicContact CG-CD 3.7Å; E364-K386 WeakPolarHBondContact OE1-CD 3.34Å; E364-K386 IonicContact OE1-NZ 3.33Å; E364-K386 PolarHBondContact OE1-NZ 2.89Å; E364-L387 WeakPolarHBondContact O-CA 3.11Å; E364-S388 PolarHBondContact O-N 3.38Å; E364-S388 PolarHBondContact O-OG 3.24Å
365	T	92.6	Very high	90.5	Very high	87 Å²	87	37 Å²	37	53%	0.534	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160.5	176.5	61.4	0	0	0	0	111.6	L387 Q389	T365-L387 VanDerWaalsContact C-CD2 3.46Å; T365-L387 VanDerWaalsContact O-CD2 3.31Å; T365-L387 WeakPolarHBondContact O-CD2 3.14Å; T365-Q389 WeakPolarHBondContact CA-O 3.04Å; T365-Q389 HydrophobicContact CG2-CB 4.37Å
366	L	91.5	Very high	90.3	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.063	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	131.9	178.8	173.3	63.5	0	0	0	110.2	F368 F373 I382 L387 Q389 V390 S391 L408	L366-F368 HydrophobicContact CD2-CD2 4.28Å; L366-F368 HydrophobicContact CD2-CE2 3.52Å; L366-F368 HydrophobicContact CD2-CZ 3.8Å; L366-F368 HydrophobicContact CG-CD2 4.32Å; L366-F368 HydrophobicContact CG-CE2 4.04Å; L366-F373 HydrophobicContact CD1-CE2 3.77Å; L366-F373 HydrophobicContact CD1-CZ 3.59Å; L366-I382 HydrophobicContact CD1-CD1 3.69Å; L366-I382 HydrophobicContact CD2-CD1 3.59Å; L366-I382 HydrophobicContact CG-CD1 4.28Å; L366-L387 HydrophobicContact CB-CD1 4.27Å; L366-L387 HydrophobicContact CB-CD2 3.85Å; L366-L387 HydrophobicContact CD2-CD1 4.08Å; L366-Q389 PolarHBondContact N-O 3.28Å; L366-V390 HydrophobicContact CB-CG2 4.39Å; L366-V390 HydrophobicContact CD2-CG2 4.44Å; L366-V390 CarbonylContact O-C 3.07Å; L366-V390 WeakPolarHBondContact O-CA 3.4Å; L366-S391 PolarHBondContact O-N 2.7Å; L366-L408 HydrophobicContact CD2-CD2 3.85Å
367	N	89.6	Confident	90.1	Very high	38 Å²	38	37.8 Å²	37.8	20%	0.203	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	108.8	178.3	-175.8	24.7	0	0	0	111.3	S369 Q372 F373 S391	N367-S369 VanDerWaalsContact C-N 3.32Å; N367-S369 PolarHBondContact O-N 2.69Å; N367-Q372 PolarHBondContact O-OE1 3.19Å; N367-F373 WeakPolarHBondContact O-CE2 3.49Å; N367-S391 WeakPolarHBondContact CA-O 3.41Å; N367-S391 WeakPolarHBondContact CA-OG 3.49Å; N367-S391 WeakPolarHBondContact CB-OG 3.3Å; N367-S391 VanDerWaalsContact CG-OG 3.27Å; N367-S391 PolarHBondContact OD1-OG 2.93Å
368	F	84.5	Confident	90	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	85.4	172.7	-72.9	-87.9	0	0	0	110.4	L366 L380 V390 S391 A392 N393 L397 L400 L403 V406 L420	L366-F368 HydrophobicContact CD2-CD2 4.28Å; L366-F368 HydrophobicContact CD2-CE2 3.52Å; L366-F368 HydrophobicContact CD2-CZ 3.8Å; L366-F368 HydrophobicContact CG-CD2 4.32Å; L366-F368 HydrophobicContact CG-CE2 4.04Å; F368-L380 HydrophobicContact CE1-CD2 3.74Å; F368-L380 HydrophobicContact CZ-CD2 4.11Å; F368-V390 HydrophobicContact CD2-CG1 3.56Å; F368-V390 HydrophobicContact CE2-CG1 3.65Å; F368-S391 PolarHBondContact N-O 2.86Å; F368-A392 HydrophobicContact CB-CB 3.92Å; F368-N393 PolarHBondContact O-N 3.42Å; F368-L397 HydrophobicContact CB-CD2 3.61Å; F368-L397 HydrophobicContact CG-CD2 4.32Å; F368-L400 HydrophobicContact CD1-CD1 4.16Å; F368-L403 HydrophobicContact CE1-CD2 4.23Å; F368-V406 HydrophobicContact CZ-CG1 4.48Å; F368-L420 HydrophobicContact CB-CD1 4.32Å; F368-L420 HydrophobicContact CD2-CD1 3.81Å; F368-L420 HydrophobicContact CD2-CD2 4.46Å; F368-L420 HydrophobicContact CE2-CD1 4.29Å; F368-L420 HydrophobicContact CE2-CD2 4.26Å; F368-L420 HydrophobicContact CG-CD1 4.09Å
369	S	81.3	Confident	90.1	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	23%	0.226	C	C	.	.	S	Bend	trans	-127.2	158.7	169.3	79	0	0	0	0	111.4	N367 E371 Q372 F373	N367-S369 VanDerWaalsContact C-N 3.32Å; N367-S369 PolarHBondContact O-N 2.69Å; S369-E371 PolarHBondContact O-N 2.92Å; S369-E371 WeakPolarHBondContact OG-CB 3.44Å; S369-E371 PolarHBondContact OG-N 2.82Å; S369-Q372 PolarHBondContact O-N 2.79Å; S369-Q372 PolarHBondContact OG-N 3.28Å; S369-F373 PolarHBondContact O-N 2.98Å
370	T	74.3	Confident	90.1	Very high	53 Å²	53	41.9 Å²	41.9	33%	0.325	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-10.3	169.9	39.6	0	0	0	0	113.3	S396 M399	T370-S396 PolarHBondContact OG1-OG 3.46Å; T370-M399 HydrophobicContact CG2-CB 3.59Å; T370-M399 HydrophobicContact CG2-CG 4.26Å; T370-M399 HydrophobicContact CG2-SD 3.99Å
371	E	75.7	Confident	90.1	Very high	120 Å²	120	40.7 Å²	40.7	56%	0.561	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-13	173.1	-58.1	162.8	160.3	0	0	111.5	Q348 S369	Q348-E371 WeakPolarHBondContact CG-O 3.18Å; Q348-E371 PolarHBondContact NE2-O 2.97Å; S369-E371 PolarHBondContact O-N 2.92Å; S369-E371 WeakPolarHBondContact OG-CB 3.44Å; S369-E371 PolarHBondContact OG-N 2.82Å
372	Q	78.5	Confident	90	Very high	61 Å²	61	40.1 Å²	40.1	29%	0.285	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-18.5	174.3	-68.2	-158.1	-13.8	0	0	114.1	I347 N367 S369	I347-Q372 WeakPolarHBondContact CB-O 3.4Å; I347-Q372 WeakPolarHBondContact CG2-O 3.34Å; N367-Q372 PolarHBondContact O-OE1 3.19Å; S369-Q372 PolarHBondContact O-N 2.79Å; S369-Q372 PolarHBondContact OG-N 3.28Å
373	F	85.1	Confident	90.1	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.035	21%	0.207	C	C	.	.	S	Bend	trans	-138.7	140.2	-178.4	-61.8	-69.9	0	0	0	113.5	I347 L356 L366 N367 S369 L377 L380 L400	I347-F373 HydrophobicContact CG2-CD1 4.5Å; L356-F373 HydrophobicContact CD2-CD1 4.42Å; L356-F373 HydrophobicContact CD2-CE1 3.91Å; L366-F373 HydrophobicContact CD1-CE2 3.77Å; L366-F373 HydrophobicContact CD1-CZ 3.59Å; N367-F373 WeakPolarHBondContact O-CE2 3.49Å; S369-F373 PolarHBondContact O-N 2.98Å; F373-L377 HydrophobicContact CB-CD2 4.08Å; F373-L377 HydrophobicContact CD1-CD2 3.76Å; F373-L377 HydrophobicContact CG-CD2 4.12Å; F373-L380 HydrophobicContact CE1-CD1 4.19Å; F373-L380 HydrophobicContact CE1-CD2 4.42Å; F373-L380 HydrophobicContact CZ-CD2 4.49Å; F373-L400 HydrophobicContact CB-CD2 3.92Å
374	S	85.2	Confident	90.2	Very high	19 Å²	19	42.5 Å²	42.5	13%	0.133	22%	0.223	C	C	.	.			trans	-68.9	145.9	173.8	178.1	0	0	0	0	111.9	P351 N376 L377	P351-S374 PolarHBondContact O-OG 3.34Å; S374-N376 PolarHBondContact O-N 3.48Å; S374-N376 PolarHBondContact OG-N 3Å; S374-N376 VanDerWaalsContact OG-N 3.1Å; S374-L377 WeakPolarHBondContact O-CB 3.41Å; S374-L377 PolarHBondContact O-N 3.31Å; S374-L377 VanDerWaalsContact O-N 3.14Å
375	S	88.8	Confident	90.4	Very high	64 Å²	64	38.3 Å²	38.3	45%	0.448	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.7	169.8	53.7	0	0	0	0	113.8	L377 M399 N402	S375-L377 VanDerWaalsContact C-N 3.33Å; S375-M399 WeakPolarHBondContact CB-O 3.35Å; S375-N402 WeakPolarHBondContact O-CB 3.04Å
376	N	92.9	Very high	90.6	Very high	79 Å²	79	38.1 Å²	38.1	42%	0.422	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.3	173.6	-70.3	-52.7	0	0	0	113.2	P351 L353 S374 Y378 N402	P351-N376 PolarHBondContact O-ND2 3.43Å; L353-N376 CarbonylContact O-C 3.19Å; S374-N376 PolarHBondContact O-N 3.48Å; S374-N376 PolarHBondContact OG-N 3Å; S374-N376 VanDerWaalsContact OG-N 3.1Å; N376-Y378 PolarHBondContact O-N 3.05Å; N376-N402 PolarHBondContact O-ND2 2.99Å
377	L	94.7	Very high	90.8	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	19%	0.193	C	C	.	.			trans	-56.5	122	-174.9	-172.1	71.9	0	0	0	110.8	L353 L356 F373 S374 S375 L380 N402 L403	L353-L377 VanDerWaalsContact O-CA 3.31Å; L353-L377 WeakPolarHBondContact O-CA 3.49Å; L353-L377 PolarHBondContact O-N 3.46Å; L356-L377 HydrophobicContact CB-CD1 4Å; F373-L377 HydrophobicContact CB-CD2 4.08Å; F373-L377 HydrophobicContact CD1-CD2 3.76Å; F373-L377 HydrophobicContact CG-CD2 4.12Å; S374-L377 WeakPolarHBondContact O-CB 3.41Å; S374-L377 PolarHBondContact O-N 3.31Å; S374-L377 VanDerWaalsContact O-N 3.14Å; S375-L377 VanDerWaalsContact C-N 3.33Å; L377-L380 HydrophobicContact CD2-CB 4.24Å; L377-L380 HydrophobicContact CD2-CD1 4.31Å; L377-L380 HydrophobicContact CD2-CD2 4.3Å; L377-N402 CarbonylContact O-C 3.56Å; L377-N402 VanDerWaalsContact O-C 3.24Å; L377-L403 HydrophobicContact CD2-CD1 4.26Å; L377-L403 HydrophobicContact CG-CD1 4.2Å; L377-L403 WeakPolarHBondContact O-CA 3.28Å; L377-L403 PolarHBondContact O-N 2.87Å
378	Y	96.7	Very high	91	Very high	85 Å²	85	38.9 Å²	38.9	33%	0.333	21%	0.205	S	C	.	.			trans	-108.1	-37.6	-174.6	170.5	-99.8	0	0	0	111.8	S354 N376 T404 Y405	S354-Y378 WeakPolarHBondContact O-CB 3.29Å; S354-Y378 PolarHBondContact O-N 3.37Å; N376-Y378 PolarHBondContact O-N 3.05Å; Y378-T404 WeakPolarHBondContact CD2-OG1 3.36Å; Y378-T404 HydrophobicContact CE2-CG2 3.97Å; Y378-T404 PolarHBondContact O-N 2.97Å; Y378-Y405 HydrophobicContact CD1-CD2 4.48Å; Y378-Y405 AromaticContact CE1-CD2 3.91Å; Y378-Y405 HydrophobicContact CE1-CD2 3.91Å; Y378-Y405 HydrophobicContact CE1-CE2 4.02Å; Y378-Y405 HydrophobicContact CE2-CE2 4.33Å; Y378-Y405 AromaticContact CZ-CD2 3.94Å; Y378-Y405 AromaticContact CZ-CE2 3.67Å; Y378-Y405 PolarHBondContact O-N 2.72Å; Y378-Y405 WeakPolarHBondContact OH-CE2 3.43Å
379	E	98.1	Very high	91.3	Very high	52 Å²	52	44.1 Å²	44.1	24%	0.243	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	127	-175.8	-175.2	-175.8	167.4	0	0	110.8	S354 R355 L356 W357 Y405	S354-E379 PolarHBondContact O-N 2.9Å; S354-E379 VanDerWaalsContact O-N 3.1Å; R355-E379 WeakPolarHBondContact CD-OE2 3.27Å; R355-E379 HydrophobicContact CG-CB 4.11Å; L356-E379 PolarHBondContact N-O 2.68Å; W357-E379 VanDerWaalsContact NE1-CD 3.26Å; W357-E379 PolarHBondContact NE1-OE1 2.83Å; E379-Y405 WeakPolarHBondContact CA-O 3.16Å
380	L	97.4	Very high	91.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	112.8	178.8	-175.3	61	0	0	0	110.3	L356 F368 F373 L377 I382 L403 Y405 V406 N407	L356-L380 HydrophobicContact CB-CD1 3.95Å; L356-L380 HydrophobicContact CD2-CD1 3.82Å; L356-L380 HydrophobicContact CG-CD1 3.96Å; F368-L380 HydrophobicContact CE1-CD2 3.74Å; F368-L380 HydrophobicContact CZ-CD2 4.11Å; F373-L380 HydrophobicContact CE1-CD1 4.19Å; F373-L380 HydrophobicContact CE1-CD2 4.42Å; F373-L380 HydrophobicContact CZ-CD2 4.49Å; L377-L380 HydrophobicContact CD2-CB 4.24Å; L377-L380 HydrophobicContact CD2-CD1 4.31Å; L377-L380 HydrophobicContact CD2-CD2 4.3Å; L380-I382 HydrophobicContact CD1-CD1 3.86Å; L380-I382 HydrophobicContact CD1-CG1 3.93Å; L380-I382 HydrophobicContact CD2-CD1 3.91Å; L380-I382 HydrophobicContact CG-CD1 3.85Å; L380-I382 HydrophobicContact CG-CG1 4.02Å; L380-L403 HydrophobicContact CB-CD1 4.15Å; L380-Y405 PolarHBondContact N-O 3.31Å; L380-V406 WeakPolarHBondContact O-CA 3.35Å; L380-N407 PolarHBondContact O-N 3.44Å
381	D	98.6	Very high	92.4	Very high	24 Å²	24	44.2 Å²	44.2	13%	0.128	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	101.8	176.8	178.9	12.4	0	0	0	110.8	L356 M358 A359 S383 N407	L356-D381 PolarHBondContact O-N 2.99Å; M358-D381 CarbonylContact C-O 3.49Å; M358-D381 WeakPolarHBondContact CA-O 3.42Å; M358-D381 PolarHBondContact N-O 3.49Å; A359-D381 WeakPolarHBondContact CB-OD2 3.26Å; A359-D381 PolarHBondContact N-O 3.04Å; D381-S383 WeakPolarHBondContact OD1-CB 3.38Å; D381-S383 PolarHBondContact OD1-N 3.14Å; D381-S383 PolarHBondContact OD1-OG 3.31Å; D381-N407 HydrophobicContact CB-CB 4.39Å; D381-N407 PolarHBondContact OD1-ND2 3.45Å
382	I	97.3	Very high	92.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.213	C	C	.	.			trans	-115.6	33.8	174	-45.4	164.2	0	0	0	109.1	M358 L363 L366 L380 N385 L387 N407 L408 N411	M358-I382 HydrophobicContact CB-CG1 4.38Å; L363-I382 HydrophobicContact CD1-CG2 3.59Å; L366-I382 HydrophobicContact CD1-CD1 3.69Å; L366-I382 HydrophobicContact CD2-CD1 3.59Å; L366-I382 HydrophobicContact CG-CD1 4.28Å; L380-I382 HydrophobicContact CD1-CD1 3.86Å; L380-I382 HydrophobicContact CD1-CG1 3.93Å; L380-I382 HydrophobicContact CD2-CD1 3.91Å; L380-I382 HydrophobicContact CG-CD1 3.85Å; L380-I382 HydrophobicContact CG-CG1 4.02Å; I382-N385 HydrophobicContact CG2-CB 4.11Å; I382-N385 PolarHBondContact O-ND2 3.16Å; I382-L387 HydrophobicContact CB-CD1 4.3Å; I382-L387 HydrophobicContact CG2-CD1 3.83Å; I382-L387 HydrophobicContact CG2-CG 4.43Å; I382-N407 CarbonylContact C-O 3.1Å; I382-N407 PolarHBondContact N-O 3.08Å; I382-L408 HydrophobicContact CB-CD2 4.3Å; I382-N411 PolarHBondContact O-ND2 2.87Å
383	S	98.6	Very high	92.7	Very high	13 Å²	13	40.6 Å²	40.6	9%	0.091	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	159.8	176.6	61.3	0	0	0	0	112.8	A359 T360 D381 N385 N407 S409	A359-S383 CarbonylContact C-O 3.55Å; A359-S383 WeakPolarHBondContact CA-O 3.48Å; A359-S383 VanDerWaalsContact CB-OG 3.24Å; A359-S383 WeakPolarHBondContact CB-OG 3.01Å; T360-S383 PolarHBondContact N-O 3.08Å; D381-S383 WeakPolarHBondContact OD1-CB 3.38Å; D381-S383 PolarHBondContact OD1-N 3.14Å; D381-S383 PolarHBondContact OD1-OG 3.31Å; S383-N385 PolarHBondContact O-N 3.16Å; S383-N385 VanDerWaalsContact O-N 3.14Å; S383-N385 PolarHBondContact O-ND2 2.94Å; S383-N407 PolarHBondContact N-O 3.14Å; S383-S409 CarbonylContact C-O 3.43Å; S383-S409 WeakPolarHBondContact CA-O 3.45Å; S383-S409 WeakPolarHBondContact CB-O 3.32Å; S383-S409 WeakPolarHBondContact CB-OG 3.33Å
384	N	98.4	Very high	91.7	Very high	70 Å²	70	45.2 Å²	45.2	37%	0.374	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	38.1	174.9	-159	53.5	0	0	0	113.3	T360 S409 R410	T360-N384 VanDerWaalsContact CA-O 3.23Å; T360-N384 WeakPolarHBondContact CA-O 3.45Å; T360-N384 WeakPolarHBondContact CG2-ND2 3.33Å; T360-N384 PolarHBondContact OG1-ND2 3.24Å; N384-S409 PolarHBondContact N-O 3.4Å; N384-R410 WeakPolarHBondContact CA-O 3.26Å; N384-R410 HydrophobicContact CB-CB 4.17Å; N384-R410 PolarHBondContact N-O 2.81Å
385	N	98.4	Very high	90.9	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.064	27%	0.266	C	S	.	.	S	Bend	trans	-103.7	-159.4	173.8	-89.1	-95.8	0	0	0	108.8	M358 N361 C362 L363 I382 S383 L387 R410 N411	M358-N385 PolarHBondContact O-ND2 2.78Å; N361-N385 WeakPolarHBondContact CA-OD1 3.44Å; N361-N385 WeakPolarHBondContact CB-OD1 3.14Å; N361-N385 PolarHBondContact N-ND2 2.72Å; C362-N385 PolarHBondContact N-OD1 2.66Å; L363-N385 HydrophobicContact CB-CB 4.4Å; L363-N385 WeakPolarHBondContact CB-OD1 3.5Å; L363-N385 PolarHBondContact N-OD1 3.32Å; L363-N385 VanDerWaalsContact N-OD1 3.12Å; I382-N385 HydrophobicContact CG2-CB 4.11Å; I382-N385 PolarHBondContact O-ND2 3.16Å; S383-N385 PolarHBondContact O-N 3.16Å; S383-N385 VanDerWaalsContact O-N 3.14Å; S383-N385 PolarHBondContact O-ND2 2.94Å; N385-L387 HydrophobicContact CB-CG 4.3Å; N385-R410 PolarHBondContact N-O 3.35Å; N385-N411 WeakPolarHBondContact CA-OD1 3.26Å; N385-N411 WeakPolarHBondContact CB-OD1 3.46Å; N385-N411 PolarHBondContact N-OD1 2.9Å; N385-N411 PolarHBondContact O-OD1 2.98Å
386	K	97	Very high	90.1	Very high	82 Å²	82	44.6 Å²	44.6	36%	0.357	25%	0.25	S	S	.	.			trans	-111.3	11.1	176.6	-60.2	174.3	179.5	170.1	0	112.9	L363 E364 S388 N411 N412	L363-K386 CarbonylContact O-C 3.48Å; L363-K386 VanDerWaalsContact O-C 3.26Å; L363-K386 WeakPolarHBondContact O-CA 3.43Å; L363-K386 WeakPolarHBondContact O-CB 3.23Å; L363-K386 PolarHBondContact O-N 2.95Å; E364-K386 HydrophobicContact CG-CB 3.98Å; E364-K386 HydrophobicContact CG-CD 3.7Å; E364-K386 WeakPolarHBondContact OE1-CD 3.34Å; E364-K386 IonicContact OE1-NZ 3.33Å; E364-K386 PolarHBondContact OE1-NZ 2.89Å; K386-S388 PolarHBondContact O-N 3.11Å; K386-S388 VanDerWaalsContact O-N 3.12Å; K386-N411 PolarHBondContact N-OD1 3.44Å; K386-N412 WeakPolarHBondContact CA-ND2 3.42Å; K386-N412 PolarHBondContact O-ND2 2.92Å
387	L	96.4	Very high	89.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.			trans	-52.2	120.3	-166	-62.9	175.3	0	0	0	111	L363 E364 T365 L366 I382 N385 L408 N411 N412 L413	L363-L387 HydrophobicContact CB-CD2 3.82Å; L363-L387 PolarHBondContact O-N 3.37Å; L363-L387 VanDerWaalsContact O-N 3.1Å; E364-L387 WeakPolarHBondContact O-CA 3.11Å; T365-L387 VanDerWaalsContact C-CD2 3.46Å; T365-L387 VanDerWaalsContact O-CD2 3.31Å; T365-L387 WeakPolarHBondContact O-CD2 3.14Å; L366-L387 HydrophobicContact CB-CD1 4.27Å; L366-L387 HydrophobicContact CB-CD2 3.85Å; L366-L387 HydrophobicContact CD2-CD1 4.08Å; I382-L387 HydrophobicContact CB-CD1 4.3Å; I382-L387 HydrophobicContact CG2-CD1 3.83Å; I382-L387 HydrophobicContact CG2-CG 4.43Å; N385-L387 HydrophobicContact CB-CG 4.3Å; L387-L408 HydrophobicContact CD1-CD2 3.86Å; L387-N411 HydrophobicContact CB-CB 3.97Å; L387-N411 WeakPolarHBondContact CB-OD1 3.43Å; L387-N411 WeakPolarHBondContact CG-OD1 3.43Å; L387-N411 PolarHBondContact N-OD1 2.84Å; L387-N412 CarbonylContact O-C 3.44Å; L387-N412 VanDerWaalsContact O-CA 3.28Å; L387-N412 WeakPolarHBondContact O-CA 3.41Å; L387-N412 PolarHBondContact O-N 2.99Å; L387-L413 HydrophobicContact CB-CD2 3.94Å; L387-L413 HydrophobicContact CB-CG 4.38Å; L387-L413 WeakPolarHBondContact O-CD2 3.22Å; L387-L413 PolarHBondContact O-N 3.33Å
388	S	93.3	Very high	88.6	Confident	66 Å²	66	44.1 Å²	44.1	46%	0.462	25%	0.253	S	S	.	.			trans	-110.9	-28.4	179.4	58.8	0	0	0	0	112	E364 K386	E364-S388 PolarHBondContact O-N 3.38Å; E364-S388 PolarHBondContact O-OG 3.24Å; K386-S388 PolarHBondContact O-N 3.11Å; K386-S388 VanDerWaalsContact O-N 3.12Å
389	Q	90.4	Very high	87.7	Confident	112 Å²	112	45.4 Å²	45.4	52%	0.523	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.8	177.1	-173.8	179.8	11.2	0	0	110.1	T365 L366	T365-Q389 WeakPolarHBondContact CA-O 3.04Å; T365-Q389 HydrophobicContact CG2-CB 4.37Å; L366-Q389 PolarHBondContact N-O 3.28Å
390	V	91	Very high	87.1	Confident	10 Å²	10	43 Å²	43	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.9	163.4	175.8	0	0	0	0	107.7	L366 F368 L413 L416 P417 L420	L366-V390 HydrophobicContact CB-CG2 4.39Å; L366-V390 HydrophobicContact CD2-CG2 4.44Å; L366-V390 CarbonylContact O-C 3.07Å; L366-V390 WeakPolarHBondContact O-CA 3.4Å; F368-V390 HydrophobicContact CD2-CG1 3.56Å; F368-V390 HydrophobicContact CE2-CG1 3.65Å; V390-L413 HydrophobicContact CG2-CD2 3.77Å; V390-L416 HydrophobicContact CB-CD2 3.65Å; V390-L416 HydrophobicContact CG1-CD2 4.25Å; V390-L416 HydrophobicContact CG2-CD2 3.51Å; V390-P417 HydrophobicContact CG1-CG 4.32Å; V390-P417 VanDerWaalsContact O-CD 3.29Å; V390-P417 WeakPolarHBondContact O-CD 3.3Å; V390-P417 VanDerWaalsContact O-CG 3.25Å; V390-P417 WeakPolarHBondContact O-CG 3.41Å; V390-L420 HydrophobicContact CG1-CD2 4.15Å
391	S	88.7	Confident	86.4	Confident	46 Å²	46	43.9 Å²	43.9	32%	0.322	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	159.3	166.3	61.7	0	0	0	0	110.5	L366 N367 F368	L366-S391 PolarHBondContact O-N 2.7Å; N367-S391 WeakPolarHBondContact CA-O 3.41Å; N367-S391 WeakPolarHBondContact CA-OG 3.49Å; N367-S391 WeakPolarHBondContact CB-OG 3.3Å; N367-S391 VanDerWaalsContact CG-OG 3.27Å; N367-S391 PolarHBondContact OD1-OG 2.93Å; F368-S391 PolarHBondContact N-O 2.86Å
392	A	83.6	Confident	86.1	Confident	19 Å²	19	44.8 Å²	44.8	16%	0.157	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	150.2	174	0	0	0	0	0	110	F368 L397 P417 L420	F368-A392 HydrophobicContact CB-CB 3.92Å; A392-L397 HydrophobicContact CB-CD1 3.83Å; A392-L397 HydrophobicContact CB-CD2 4Å; A392-L397 HydrophobicContact CB-CG 4.05Å; A392-P417 HydrophobicContact CB-CB 4.26Å; A392-P417 HydrophobicContact CB-CG 4.13Å; A392-L420 HydrophobicContact CB-CD1 3.86Å
393	N	76.2	Confident	86	Confident	86 Å²	86	44.8 Å²	44.8	46%	0.46	27%	0.267	S	S	.	.			trans	-107.9	116.7	171.4	-68.7	-19	0	0	0	108.5	F368 G395 S396 L397	F368-N393 PolarHBondContact O-N 3.42Å; N393-G395 PolarHBondContact O-N 3.05Å; N393-G395 VanDerWaalsContact O-N 3.11Å; N393-S396 WeakPolarHBondContact O-CA 3.25Å; N393-S396 WeakPolarHBondContact O-CB 3.27Å; N393-S396 PolarHBondContact O-N 3.01Å; N393-L397 PolarHBondContact O-N 3.4Å; N393-L397 VanDerWaalsContact O-N 3.14Å
394	D	64.4	Low	85.9	Confident	104 Å²	104	45 Å²	45	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-51.9	-40.7	-172.2	-67	-33.2	0	0	0	113.7	S396 L397	D394-S396 VanDerWaalsContact C-N 3.31Å; D394-S396 PolarHBondContact O-N 3.17Å; D394-L397 PolarHBondContact O-N 3.1Å
395	G	68.9	Low	85.9	Confident	53 Å²	53	45.3 Å²	45.3	55%	0.546	26%	0.264	S	S	.	.	H	α-helix	trans	-62.4	-33.6	176.5	0	0	0	0	0	114	N393 S398	N393-G395 PolarHBondContact O-N 3.05Å; N393-G395 VanDerWaalsContact O-N 3.11Å; G395-S398 PolarHBondContact O-OG 2.86Å; G395-S398 VanDerWaalsContact O-OG 3.13Å
396	S	70.2	Confident	85.8	Confident	18 Å²	18	45 Å²	45	13%	0.126	26%	0.262	C	S	.	.	H	α-helix	trans	-79.2	-34.2	176.8	-69.3	0	0	0	0	112.9	T370 N393 D394 S398 M399	T370-S396 PolarHBondContact OG1-OG 3.46Å; N393-S396 WeakPolarHBondContact O-CA 3.25Å; N393-S396 WeakPolarHBondContact O-CB 3.27Å; N393-S396 PolarHBondContact O-N 3.01Å; D394-S396 VanDerWaalsContact C-N 3.31Å; D394-S396 PolarHBondContact O-N 3.17Å; S396-S398 VanDerWaalsContact C-N 3.31Å; S396-S398 PolarHBondContact O-N 3.42Å; S396-M399 WeakPolarHBondContact O-CB 3.34Å; S396-M399 PolarHBondContact O-N 3.13Å
397	L	78.7	Confident	85.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.2	-43.9	-178	-73	177	0	0	0	112.3	F368 A392 N393 D394 M399 L400 L420 S423 L424	F368-L397 HydrophobicContact CB-CD2 3.61Å; F368-L397 HydrophobicContact CG-CD2 4.32Å; A392-L397 HydrophobicContact CB-CD1 3.83Å; A392-L397 HydrophobicContact CB-CD2 4Å; A392-L397 HydrophobicContact CB-CG 4.05Å; N393-L397 PolarHBondContact O-N 3.4Å; N393-L397 VanDerWaalsContact O-N 3.14Å; D394-L397 PolarHBondContact O-N 3.1Å; L397-M399 PolarHBondContact O-N 3.37Å; L397-M399 VanDerWaalsContact O-N 3.09Å; L397-L400 WeakPolarHBondContact O-CB 3.46Å; L397-L400 PolarHBondContact O-N 3.32Å; L397-L420 HydrophobicContact CD1-CD1 4.01Å; L397-L420 HydrophobicContact CD2-CD1 3.73Å; L397-S423 CarbonylContact C-O 3.34Å; L397-L424 HydrophobicContact CD2-CD2 4.32Å
398	S	77.5	Confident	85.9	Confident	72 Å²	72	43 Å²	43	50%	0.503	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.5	177.1	68.9	0	0	0	0	114.5	G395 S396	G395-S398 PolarHBondContact O-OG 2.86Å; G395-S398 VanDerWaalsContact O-OG 3.13Å; S396-S398 VanDerWaalsContact C-N 3.31Å; S396-S398 PolarHBondContact O-N 3.42Å
399	M	78.9	Confident	86.2	Confident	112 Å²	112	40.2 Å²	40.2	55%	0.552	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-16.2	177	-55.7	-170.3	-172.1	0	0	113.1	T370 S375 S396 L397 G401	T370-M399 HydrophobicContact CG2-CB 3.59Å; T370-M399 HydrophobicContact CG2-CG 4.26Å; T370-M399 HydrophobicContact CG2-SD 3.99Å; S375-M399 WeakPolarHBondContact CB-O 3.35Å; S396-M399 WeakPolarHBondContact O-CB 3.34Å; S396-M399 PolarHBondContact O-N 3.13Å; L397-M399 PolarHBondContact O-N 3.37Å; L397-M399 VanDerWaalsContact O-N 3.09Å; M399-G401 PolarHBondContact O-N 3.07Å
400	L	84.6	Confident	86.5	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	23%	0.234	C	C	.	.			trans	-77.2	44.5	170.3	-58.2	-179.2	0	0	0	110.8	F368 F373 L397 N402 L403 L424	F368-L400 HydrophobicContact CD1-CD1 4.16Å; F373-L400 HydrophobicContact CB-CD2 3.92Å; L397-L400 WeakPolarHBondContact O-CB 3.46Å; L397-L400 PolarHBondContact O-N 3.32Å; L400-N402 PolarHBondContact O-N 3.4Å; L400-L403 HydrophobicContact CB-CB 4.41Å; L400-L403 WeakPolarHBondContact O-CB 3.41Å; L400-L403 PolarHBondContact O-N 2.94Å; L400-L403 VanDerWaalsContact O-N 3.07Å; L400-L424 HydrophobicContact CB-CD2 3.92Å
401	G	83.4	Confident	86.9	Confident	21 Å²	21	40.7 Å²	40.7	22%	0.216	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-7.7	-165.2	0	0	0	0	0	115.5	M399 R426	M399-G401 PolarHBondContact O-N 3.07Å; G401-R426 WeakPolarHBondContact O-CD 3.16Å; G401-R426 VanDerWaalsContact O-CG 3.25Å; G401-R426 WeakPolarHBondContact O-CG 3.47Å
402	N	92.3	Very high	87.2	Confident	43 Å²	43	43.3 Å²	43.3	23%	0.23	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-10.1	174.7	-152.5	43.3	0	0	0	113.8	S375 N376 L377 L400 T404 R426	S375-N402 WeakPolarHBondContact O-CB 3.04Å; N376-N402 PolarHBondContact O-ND2 2.99Å; L377-N402 CarbonylContact O-C 3.56Å; L377-N402 VanDerWaalsContact O-C 3.24Å; L400-N402 PolarHBondContact O-N 3.4Å; N402-T404 PolarHBondContact O-N 3.4Å; N402-T404 VanDerWaalsContact O-N 3.15Å; N402-T404 PolarHBondContact O-OG1 2.73Å; N402-R426 PolarHBondContact OD1-NH1 2.85Å
403	L	94.3	Very high	87.6	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	24%	0.236	C	C	.	.			trans	-68.5	113.8	-171.9	-173.1	57	0	0	0	110.8	F368 L377 L380 L400 V406 L424 R426 I427	F368-L403 HydrophobicContact CE1-CD2 4.23Å; L377-L403 HydrophobicContact CD2-CD1 4.26Å; L377-L403 HydrophobicContact CG-CD1 4.2Å; L377-L403 WeakPolarHBondContact O-CA 3.28Å; L377-L403 PolarHBondContact O-N 2.87Å; L380-L403 HydrophobicContact CB-CD1 4.15Å; L400-L403 HydrophobicContact CB-CB 4.41Å; L400-L403 WeakPolarHBondContact O-CB 3.41Å; L400-L403 PolarHBondContact O-N 2.94Å; L400-L403 VanDerWaalsContact O-N 3.07Å; L403-V406 HydrophobicContact CD1-CG2 3.91Å; L403-V406 HydrophobicContact CD2-CG2 3.77Å; L403-V406 HydrophobicContact CG-CG2 3.75Å; L403-L424 HydrophobicContact CD2-CD1 4.02Å; L403-L424 HydrophobicContact CD2-CD2 4.21Å; L403-R426 CarbonylContact O-C 3.42Å; L403-I427 PolarHBondContact O-N 3.36Å
404	T	96.7	Very high	88.1	Confident	17 Å²	17	42.9 Å²	42.9	10%	0.104	23%	0.234	C	C	.	.			trans	-119.1	-31.4	-166.5	-57.5	0	0	0	0	111.7	Y378 N402 H428 S429	Y378-T404 WeakPolarHBondContact CD2-OG1 3.36Å; Y378-T404 HydrophobicContact CE2-CG2 3.97Å; Y378-T404 PolarHBondContact O-N 2.97Å; N402-T404 PolarHBondContact O-N 3.4Å; N402-T404 VanDerWaalsContact O-N 3.15Å; N402-T404 PolarHBondContact O-OG1 2.73Å; T404-H428 HydrophobicContact CG2-CB 3.56Å; T404-H428 WeakPolarHBondContact O-CB 3.1Å; T404-H428 PolarHBondContact O-N 3.21Å; T404-S429 PolarHBondContact O-N 2.92Å; T404-S429 VanDerWaalsContact O-N 3.11Å
405	Y	98.1	Very high	88.9	Confident	77 Å²	77	42.8 Å²	42.8	30%	0.302	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124	179	-64.8	-92.4	0	0	0	110.8	Y378 E379 L380 S429	Y378-Y405 HydrophobicContact CD1-CD2 4.48Å; Y378-Y405 AromaticContact CE1-CD2 3.91Å; Y378-Y405 HydrophobicContact CE1-CD2 3.91Å; Y378-Y405 HydrophobicContact CE1-CE2 4.02Å; Y378-Y405 HydrophobicContact CE2-CE2 4.33Å; Y378-Y405 AromaticContact CZ-CD2 3.94Å; Y378-Y405 AromaticContact CZ-CE2 3.67Å; Y378-Y405 PolarHBondContact O-N 2.72Å; Y378-Y405 WeakPolarHBondContact OH-CE2 3.43Å; E379-Y405 WeakPolarHBondContact CA-O 3.16Å; L380-Y405 PolarHBondContact N-O 3.31Å; Y405-S429 VanDerWaalsContact CD1-CB 3.48Å
406	V	97.2	Very high	89.7	Confident	4 Å²	4	41 Å²	41	2%	0.024	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	117	176.5	175.2	0	0	0	0	109.8	F368 L380 L403 L408 F421 I427 S429 V430 D431	F368-V406 HydrophobicContact CZ-CG1 4.48Å; L380-V406 WeakPolarHBondContact O-CA 3.35Å; L403-V406 HydrophobicContact CD1-CG2 3.91Å; L403-V406 HydrophobicContact CD2-CG2 3.77Å; L403-V406 HydrophobicContact CG-CG2 3.75Å; V406-L408 HydrophobicContact CG1-CD1 4.03Å; V406-L408 HydrophobicContact CG1-CG 3.89Å; V406-F421 HydrophobicContact CG1-CE1 4.28Å; V406-I427 HydrophobicContact CB-CD1 4.11Å; V406-I427 HydrophobicContact CG2-CD1 3.67Å; V406-S429 PolarHBondContact N-O 2.55Å; V406-V430 WeakPolarHBondContact O-CA 3.29Å; V406-D431 PolarHBondContact O-N 2.88Å
407	N	98.6	Very high	90.3	Very high	39 Å²	39	41.7 Å²	41.7	21%	0.209	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.3	174.4	-172.1	-1.1	0	0	0	110.5	L380 D381 I382 S383 S409 D431	L380-N407 PolarHBondContact O-N 3.44Å; D381-N407 HydrophobicContact CB-CB 4.39Å; D381-N407 PolarHBondContact OD1-ND2 3.45Å; I382-N407 CarbonylContact C-O 3.1Å; I382-N407 PolarHBondContact N-O 3.08Å; S383-N407 PolarHBondContact N-O 3.14Å; N407-S409 VanDerWaalsContact OD1-CB 3.28Å; N407-S409 WeakPolarHBondContact OD1-CB 3.43Å; N407-S409 PolarHBondContact OD1-N 3.05Å; N407-S409 PolarHBondContact OD1-OG 3.35Å; N407-D431 HydrophobicContact CB-CB 4.46Å
408	L	97.7	Very high	90.2	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.239	C	C	.	.			trans	-120	13.8	176.7	-63.8	172.8	0	0	0	111.1	L366 I382 L387 V406 N411 L413 F421 D431 L432 N435	L366-L408 HydrophobicContact CD2-CD2 3.85Å; I382-L408 HydrophobicContact CB-CD2 4.3Å; L387-L408 HydrophobicContact CD1-CD2 3.86Å; V406-L408 HydrophobicContact CG1-CD1 4.03Å; V406-L408 HydrophobicContact CG1-CG 3.89Å; L408-N411 PolarHBondContact O-ND2 3.07Å; L408-L413 HydrophobicContact CB-CD1 4.04Å; L408-L413 HydrophobicContact CD1-CD1 4.47Å; L408-F421 HydrophobicContact CD1-CZ 4.47Å; L408-D431 CarbonylContact C-O 3.42Å; L408-D431 PolarHBondContact N-O 2.77Å; L408-L432 HydrophobicContact CB-CD2 4.02Å; L408-L432 HydrophobicContact CD1-CD2 4.21Å; L408-N435 PolarHBondContact O-ND2 3.48Å
409	S	98.4	Very high	90.2	Very high	8 Å²	8	44.6 Å²	44.6	6%	0.056	22%	0.218	C	C	.	.			trans	-60.5	154.2	-178.4	63.6	0	0	0	0	113.1	S383 N384 N407 N411 D431 S433	S383-S409 CarbonylContact C-O 3.43Å; S383-S409 WeakPolarHBondContact CA-O 3.45Å; S383-S409 WeakPolarHBondContact CB-O 3.32Å; S383-S409 WeakPolarHBondContact CB-OG 3.33Å; N384-S409 PolarHBondContact N-O 3.4Å; N407-S409 VanDerWaalsContact OD1-CB 3.28Å; N407-S409 WeakPolarHBondContact OD1-CB 3.43Å; N407-S409 PolarHBondContact OD1-N 3.05Å; N407-S409 PolarHBondContact OD1-OG 3.35Å; S409-N411 PolarHBondContact O-ND2 3.06Å; S409-D431 PolarHBondContact N-O 3.12Å; S409-S433 CarbonylContact C-O 3.52Å; S409-S433 WeakPolarHBondContact CA-O 3.26Å; S409-S433 WeakPolarHBondContact CB-O 3.49Å
410	R	98.1	Very high	90.5	Very high	123 Å²	123	39.4 Å²	39.4	46%	0.464	19%	0.192	S	C	.	.	S	Bend	trans	57.1	50.1	179.2	-53.7	177.2	-179.7	-71.2	-6.3	112.6	N384 N385 S433 Y434	N384-R410 WeakPolarHBondContact CA-O 3.26Å; N384-R410 HydrophobicContact CB-CB 4.17Å; N384-R410 PolarHBondContact N-O 2.81Å; N385-R410 PolarHBondContact N-O 3.35Å; R410-S433 PolarHBondContact N-O 2.94Å; R410-Y434 WeakPolarHBondContact CA-O 3.24Å; R410-Y434 HydrophobicContact CG-CD2 3.96Å; R410-Y434 HydrophobicContact CG-CG 4.3Å
411	N	98.1	Very high	90.6	Very high	9 Å²	9	39.9 Å²	39.9	5%	0.048	19%	0.194	C	C	.	.	S	Bend	trans	-120.1	-174	171.9	-81.7	-76.5	0	0	0	109.6	I382 N385 K386 L387 L408 S409 L413 N435	I382-N411 PolarHBondContact O-ND2 2.87Å; N385-N411 WeakPolarHBondContact CA-OD1 3.26Å; N385-N411 WeakPolarHBondContact CB-OD1 3.46Å; N385-N411 PolarHBondContact N-OD1 2.9Å; N385-N411 PolarHBondContact O-OD1 2.98Å; K386-N411 PolarHBondContact N-OD1 3.44Å; L387-N411 HydrophobicContact CB-CB 3.97Å; L387-N411 WeakPolarHBondContact CB-OD1 3.43Å; L387-N411 WeakPolarHBondContact CG-OD1 3.43Å; L387-N411 PolarHBondContact N-OD1 2.84Å; L408-N411 PolarHBondContact O-ND2 3.07Å; S409-N411 PolarHBondContact O-ND2 3.06Å; N411-L413 HydrophobicContact CB-CD1 4.21Å; N411-L413 HydrophobicContact CB-CG 4.01Å; N411-N435 WeakPolarHBondContact CA-OD1 3.42Å; N411-N435 WeakPolarHBondContact CB-OD1 3.17Å; N411-N435 PolarHBondContact N-OD1 3.03Å; N411-N435 PolarHBondContact O-OD1 3.18Å
412	N	95.5	Very high	90.6	Very high	102 Å²	102	41.8 Å²	41.8	55%	0.545	21%	0.205	S	C	.	.			trans	-99.4	24	179.2	-60.1	-52.5	0	0	0	112.1	K386 L387	K386-N412 WeakPolarHBondContact CA-ND2 3.42Å; K386-N412 PolarHBondContact O-ND2 2.92Å; L387-N412 CarbonylContact O-C 3.44Å; L387-N412 VanDerWaalsContact O-CA 3.28Å; L387-N412 WeakPolarHBondContact O-CA 3.41Å; L387-N412 PolarHBondContact O-N 2.99Å
413	L	92.4	Very high	90.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.			trans	-71	141.6	-172.2	-58.2	167.2	0	0	0	111.2	L387 V390 L408 N411 L416 L432 N435 N436 I437	L387-L413 HydrophobicContact CB-CD2 3.94Å; L387-L413 HydrophobicContact CB-CG 4.38Å; L387-L413 WeakPolarHBondContact O-CD2 3.22Å; L387-L413 PolarHBondContact O-N 3.33Å; V390-L413 HydrophobicContact CG2-CD2 3.77Å; L408-L413 HydrophobicContact CB-CD1 4.04Å; L408-L413 HydrophobicContact CD1-CD1 4.47Å; N411-L413 HydrophobicContact CB-CD1 4.21Å; N411-L413 HydrophobicContact CB-CG 4.01Å; L413-L416 HydrophobicContact CD1-CD2 4.18Å; L413-L416 HydrophobicContact CD2-CD2 4.29Å; L413-L432 HydrophobicContact CD1-CD2 4.46Å; L413-N435 HydrophobicContact CB-CB 4.05Å; L413-N435 VanDerWaalsContact CB-OD1 3.25Å; L413-N435 WeakPolarHBondContact CB-OD1 3.47Å; L413-N435 WeakPolarHBondContact CG-OD1 3.3Å; L413-N435 PolarHBondContact N-OD1 3.35Å; L413-N435 VanDerWaalsContact N-OD1 3.09Å; L413-N436 CarbonylContact O-C 3.59Å; L413-N436 PolarHBondContact O-N 3.45Å; L413-I437 HydrophobicContact CB-CD1 4.11Å; L413-I437 HydrophobicContact CB-CG1 4.3Å
414	K	87.1	Confident	90	Very high	95 Å²	95	41.6 Å²	41.6	41%	0.413	21%	0.206	S	C	.	.	S	Bend	trans	-118.6	-46.4	172.8	-68.6	173.4	147.7	-137	0	112	N436 E454	K414-N436 WeakPolarHBondContact CA-O 3.5Å; K414-E454 IonicContact NZ-OE1 2.78Å; K414-E454 PolarHBondContact NZ-OE1 2.84Å; K414-E454 IonicContact NZ-OE2 2.69Å; K414-E454 PolarHBondContact NZ-OE2 3.33Å
415	E	79.9	Confident	89.6	Confident	103 Å²	103	44.4 Å²	44.4	48%	0.481	23%	0.225	S	C	.	.			trans	-124.2	163.9	178.7	60.1	175.9	-159.4	0	0	110.2
416	L	85.6	Confident	89.4	Confident	16 Å²	16	47.7 Å²	47.7	8%	0.084	24%	0.237	C	C	.	.			trans	-138	158.5	167.5	-63.5	171.3	0	0	0	108.5	V390 L413 F418 L420 F421 L432 L456	V390-L416 HydrophobicContact CB-CD2 3.65Å; V390-L416 HydrophobicContact CG1-CD2 4.25Å; V390-L416 HydrophobicContact CG2-CD2 3.51Å; L413-L416 HydrophobicContact CD1-CD2 4.18Å; L413-L416 HydrophobicContact CD2-CD2 4.29Å; L416-F418 PolarHBondContact O-N 2.98Å; L416-L420 HydrophobicContact CB-CD2 4.24Å; L416-L420 HydrophobicContact CD1-CD2 4.32Å; L416-L420 HydrophobicContact CD2-CD2 4.38Å; L416-F421 HydrophobicContact CD1-CE2 3.61Å; L416-F421 HydrophobicContact CD1-CZ 3.87Å; L416-L432 HydrophobicContact CD1-CD1 4.27Å; L416-L432 HydrophobicContact CD1-CD2 3.8Å; L416-L456 HydrophobicContact CB-CD1 3.62Å; L416-L456 HydrophobicContact CD1-CD1 3.92Å; L416-L456 HydrophobicContact CG-CD1 4.04Å
417	P	82.3	Confident	89.2	Confident	32 Å²	32	47.5 Å²	47.5	21%	0.208	24%	0.236	C	C	.	.			trans	-52.2	135.5	175.3	-27.5	35.2	0	0	0	112.5	V390 A392 G419 L420	V390-P417 HydrophobicContact CG1-CG 4.32Å; V390-P417 VanDerWaalsContact O-CD 3.29Å; V390-P417 WeakPolarHBondContact O-CD 3.3Å; V390-P417 VanDerWaalsContact O-CG 3.25Å; V390-P417 WeakPolarHBondContact O-CG 3.41Å; A392-P417 HydrophobicContact CB-CB 4.26Å; A392-P417 HydrophobicContact CB-CG 4.13Å; P417-G419 PolarHBondContact O-N 3.43Å; P417-L420 HydrophobicContact CB-CB 4.4Å; P417-L420 WeakPolarHBondContact O-CB 3.41Å; P417-L420 PolarHBondContact O-N 2.89Å; P417-L420 VanDerWaalsContact O-N 3.14Å
418	F	77.6	Confident	89.1	Confident	126 Å²	126	48.6 Å²	48.6	55%	0.553	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	128.1	176	173.6	-91.6	0	0	0	110.1	L416 L420	L416-F418 PolarHBondContact O-N 2.98Å; F418-L420 VanDerWaalsContact C-N 3.28Å; F418-L420 PolarHBondContact O-N 3.29Å
419	G	77.8	Confident	89.1	Confident	7 Å²	7	49.1 Å²	49.1	7%	0.072	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	5.2	177.7	0	0	0	0	0	116	P417 F421 S422 S423	P417-G419 PolarHBondContact O-N 3.43Å; G419-F421 VanDerWaalsContact C-N 3.3Å; G419-F421 PolarHBondContact O-N 2.64Å; G419-F421 VanDerWaalsContact O-N 3.14Å; G419-S422 WeakPolarHBondContact CA-OG 3.48Å; G419-S422 PolarHBondContact O-N 2.76Å; G419-S422 PolarHBondContact O-OG 3.13Å; G419-S423 PolarHBondContact O-N 3.22Å; G419-S423 PolarHBondContact O-OG 2.91Å
420	L	84.4	Confident	89.1	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.016	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.4	-53.3	-179.6	174.2	62.5	0	0	0	113	F368 V390 A392 L397 L416 P417 F418	F368-L420 HydrophobicContact CB-CD1 4.32Å; F368-L420 HydrophobicContact CD2-CD1 3.81Å; F368-L420 HydrophobicContact CD2-CD2 4.46Å; F368-L420 HydrophobicContact CE2-CD1 4.29Å; F368-L420 HydrophobicContact CE2-CD2 4.26Å; F368-L420 HydrophobicContact CG-CD1 4.09Å; V390-L420 HydrophobicContact CG1-CD2 4.15Å; A392-L420 HydrophobicContact CB-CD1 3.86Å; L397-L420 HydrophobicContact CD1-CD1 4.01Å; L397-L420 HydrophobicContact CD2-CD1 3.73Å; L416-L420 HydrophobicContact CB-CD2 4.24Å; L416-L420 HydrophobicContact CD1-CD2 4.32Å; L416-L420 HydrophobicContact CD2-CD2 4.38Å; P417-L420 HydrophobicContact CB-CB 4.4Å; P417-L420 WeakPolarHBondContact O-CB 3.41Å; P417-L420 PolarHBondContact O-N 2.89Å; P417-L420 VanDerWaalsContact O-N 3.14Å; F418-L420 VanDerWaalsContact C-N 3.28Å; F418-L420 PolarHBondContact O-N 3.29Å
421	F	87.5	Confident	89.1	Confident	10 Å²	10	44.6 Å²	44.6	4%	0.044	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-25.1	-178	-56.1	-63.8	0	0	0	113.7	V406 L408 L416 G419 S423 L424 I427 V430 L432 I461	V406-F421 HydrophobicContact CG1-CE1 4.28Å; L408-F421 HydrophobicContact CD1-CZ 4.47Å; L416-F421 HydrophobicContact CD1-CE2 3.61Å; L416-F421 HydrophobicContact CD1-CZ 3.87Å; G419-F421 VanDerWaalsContact C-N 3.3Å; G419-F421 PolarHBondContact O-N 2.64Å; G419-F421 VanDerWaalsContact O-N 3.14Å; F421-S423 VanDerWaalsContact C-N 3.28Å; F421-S423 PolarHBondContact O-N 2.86Å; F421-L424 HydrophobicContact CD1-CD1 4.25Å; F421-L424 PolarHBondContact O-N 2.88Å; F421-I427 WeakPolarHBondContact O-CG2 3.06Å; F421-V430 HydrophobicContact CD1-CG1 4.47Å; F421-V430 HydrophobicContact CD1-CG2 3.81Å; F421-V430 HydrophobicContact CE1-CG1 3.96Å; F421-V430 HydrophobicContact CE1-CG2 3.96Å; F421-V430 HydrophobicContact CE2-CG1 4.08Å; F421-V430 HydrophobicContact CG-CG2 4.26Å; F421-V430 HydrophobicContact CZ-CG1 3.73Å; F421-L432 HydrophobicContact CE2-CD1 4.08Å; F421-L432 HydrophobicContact CZ-CD1 4.39Å; F421-I461 HydrophobicContact CB-CD1 3.68Å
422	S	84.2	Confident	89	Confident	62 Å²	62	44.2 Å²	44.2	43%	0.434	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-23.5	175.6	53.4	0	0	0	0	113	G419 L424	G419-S422 WeakPolarHBondContact CA-OG 3.48Å; G419-S422 PolarHBondContact O-N 2.76Å; G419-S422 PolarHBondContact O-OG 3.13Å; S422-L424 VanDerWaalsContact C-N 3.28Å
423	S	85.3	Confident	89.1	Confident	37 Å²	37	39.7 Å²	39.7	26%	0.259	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.8	173.8	-59.9	0	0	0	0	113.5	L397 G419 F421 P425	L397-S423 CarbonylContact C-O 3.34Å; G419-S423 PolarHBondContact O-N 3.22Å; G419-S423 PolarHBondContact O-OG 2.91Å; F421-S423 VanDerWaalsContact C-N 3.28Å; F421-S423 PolarHBondContact O-N 2.86Å; S423-P425 WeakPolarHBondContact O-CD 3.28Å
424	L	88.7	Confident	89.4	Confident	2 Å²	2	43 Å²	43	1%	0.01	22%	0.215	C	C	.	.			trans	-99.3	103.7	177.1	-65.2	176.6	0	0	0	110.7	L397 L400 L403 F421 S422 R426 I427	L397-L424 HydrophobicContact CD2-CD2 4.32Å; L400-L424 HydrophobicContact CB-CD2 3.92Å; L403-L424 HydrophobicContact CD2-CD1 4.02Å; L403-L424 HydrophobicContact CD2-CD2 4.21Å; F421-L424 HydrophobicContact CD1-CD1 4.25Å; F421-L424 PolarHBondContact O-N 2.88Å; S422-L424 VanDerWaalsContact C-N 3.28Å; L424-R426 VanDerWaalsContact C-N 3.26Å; L424-R426 PolarHBondContact O-N 3.39Å; L424-R426 VanDerWaalsContact O-N 3.12Å; L424-I427 HydrophobicContact CB-CB 3.95Å; L424-I427 HydrophobicContact CB-CG2 4.16Å; L424-I427 HydrophobicContact CD1-CD1 4.36Å; L424-I427 WeakPolarHBondContact O-CG2 3.34Å; L424-I427 PolarHBondContact O-N 2.72Å
425	P	87.1	Confident	89.8	Confident	76 Å²	76	38.7 Å²	38.7	49%	0.494	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-14.6	-165.9	28.5	-36.8	0	0	0	115	S423	S423-P425 WeakPolarHBondContact O-CD 3.28Å
426	R	93.1	Very high	90.2	Very high	147 Å²	147	38.1 Å²	38.1	56%	0.555	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.6	5.2	-178.7	-69.5	-167.3	-174	160	1.7	114.9	G401 N402 L403 L424 H428	G401-R426 WeakPolarHBondContact O-CD 3.16Å; G401-R426 VanDerWaalsContact O-CG 3.25Å; G401-R426 WeakPolarHBondContact O-CG 3.47Å; N402-R426 PolarHBondContact OD1-NH1 2.85Å; L403-R426 CarbonylContact O-C 3.42Å; L424-R426 VanDerWaalsContact C-N 3.26Å; L424-R426 PolarHBondContact O-N 3.39Å; L424-R426 VanDerWaalsContact O-N 3.12Å; R426-H428 PolarHBondContact O-N 2.81Å; R426-H428 VanDerWaalsContact O-N 3.12Å
427	I	94.1	Very high	90.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.			trans	-58.1	120.3	-176	-167	66.3	0	0	0	111.1	L403 V406 F421 L424 V430 I461 S463 L464	L403-I427 PolarHBondContact O-N 3.36Å; V406-I427 HydrophobicContact CB-CD1 4.11Å; V406-I427 HydrophobicContact CG2-CD1 3.67Å; F421-I427 WeakPolarHBondContact O-CG2 3.06Å; L424-I427 HydrophobicContact CB-CB 3.95Å; L424-I427 HydrophobicContact CB-CG2 4.16Å; L424-I427 HydrophobicContact CD1-CD1 4.36Å; L424-I427 WeakPolarHBondContact O-CG2 3.34Å; L424-I427 PolarHBondContact O-N 2.72Å; I427-V430 HydrophobicContact CD1-CG2 3.89Å; I427-V430 HydrophobicContact CG1-CG2 3.52Å; I427-I461 HydrophobicContact CG2-CG2 3.77Å; I427-S463 CarbonylContact O-C 3.56Å; I427-S463 VanDerWaalsContact O-CB 3.3Å; I427-S463 WeakPolarHBondContact O-CB 3.39Å; I427-S463 PolarHBondContact O-OG 2.95Å; I427-L464 HydrophobicContact CG1-CD1 4.33Å; I427-L464 WeakPolarHBondContact O-CA 3.36Å; I427-L464 PolarHBondContact O-N 2.85Å
428	H	96.8	Very high	90.2	Very high	61 Å²	61	37.4 Å²	37.4	28%	0.282	20%	0.197	S	C	.	.			trans	-110.8	-38.5	-174.6	-175.8	99.4	0	0	0	111.6	T404 R426 R465 Q466	T404-H428 HydrophobicContact CG2-CB 3.56Å; T404-H428 WeakPolarHBondContact O-CB 3.1Å; T404-H428 PolarHBondContact O-N 3.21Å; R426-H428 PolarHBondContact O-N 2.81Å; R426-H428 VanDerWaalsContact O-N 3.12Å; H428-R465 PolarHBondContact O-N 2.91Å; H428-Q466 PolarHBondContact O-N 3.07Å
429	S	97.9	Very high	90.4	Very high	13 Å²	13	32.5 Å²	32.5	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.8	-178.1	-165	0	0	0	0	111.1	T404 Y405 V406 Q466	T404-S429 PolarHBondContact O-N 2.92Å; T404-S429 VanDerWaalsContact O-N 3.11Å; Y405-S429 VanDerWaalsContact CD1-CB 3.48Å; V406-S429 PolarHBondContact N-O 2.55Å; S429-Q466 WeakPolarHBondContact CA-O 3.17Å; S429-Q466 WeakPolarHBondContact OG-CB 2.99Å; S429-Q466 PolarHBondContact OG-OE1 3.15Å
430	V	97.1	Very high	90.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	121.9	174.4	174.1	0	0	0	0	108.7	V406 F421 I427 L432 L464 Q466 L467 H468	V406-V430 WeakPolarHBondContact O-CA 3.29Å; F421-V430 HydrophobicContact CD1-CG1 4.47Å; F421-V430 HydrophobicContact CD1-CG2 3.81Å; F421-V430 HydrophobicContact CE1-CG1 3.96Å; F421-V430 HydrophobicContact CE1-CG2 3.96Å; F421-V430 HydrophobicContact CE2-CG1 4.08Å; F421-V430 HydrophobicContact CG-CG2 4.26Å; F421-V430 HydrophobicContact CZ-CG1 3.73Å; I427-V430 HydrophobicContact CD1-CG2 3.89Å; I427-V430 HydrophobicContact CG1-CG2 3.52Å; V430-L432 HydrophobicContact CG1-CD1 3.79Å; V430-L432 HydrophobicContact CG1-CG 3.84Å; V430-L464 HydrophobicContact CB-CD1 4.25Å; V430-L464 HydrophobicContact CG2-CD1 3.8Å; V430-Q466 PolarHBondContact N-O 3.23Å; V430-Q466 VanDerWaalsContact N-O 3.14Å; V430-L467 HydrophobicContact CB-CD1 4.32Å; V430-L467 HydrophobicContact CG1-CD1 4.39Å; V430-H468 PolarHBondContact O-N 3.28Å
431	D	98.3	Very high	89.1	Confident	35 Å²	35	37.6 Å²	37.6	19%	0.187	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.7	170.9	-171.7	5	0	0	0	111.1	V406 N407 L408 S409 S433 H468	V406-D431 PolarHBondContact O-N 2.88Å; N407-D431 HydrophobicContact CB-CB 4.46Å; L408-D431 CarbonylContact C-O 3.42Å; L408-D431 PolarHBondContact N-O 2.77Å; S409-D431 PolarHBondContact N-O 3.12Å; D431-S433 WeakPolarHBondContact OD1-CB 3.09Å; D431-S433 PolarHBondContact OD1-N 3Å; D431-S433 PolarHBondContact OD1-OG 2.98Å; D431-H468 HydrophobicContact CB-CB 4Å; D431-H468 VanDerWaalsContact OD1-CB 3.26Å; D431-H468 WeakPolarHBondContact OD1-CB 3.11Å
432	L	96.8	Very high	87.6	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.			trans	-119.5	7	178.6	-71.7	164.2	0	0	0	111.7	L408 L413 L416 F421 V430 N435 I437 L456 W458 H468 L469 C472	L408-L432 HydrophobicContact CB-CD2 4.02Å; L408-L432 HydrophobicContact CD1-CD2 4.21Å; L413-L432 HydrophobicContact CD1-CD2 4.46Å; L416-L432 HydrophobicContact CD1-CD1 4.27Å; L416-L432 HydrophobicContact CD1-CD2 3.8Å; F421-L432 HydrophobicContact CE2-CD1 4.08Å; F421-L432 HydrophobicContact CZ-CD1 4.39Å; V430-L432 HydrophobicContact CG1-CD1 3.79Å; V430-L432 HydrophobicContact CG1-CG 3.84Å; L432-N435 WeakPolarHBondContact O-CB 3.38Å; L432-N435 PolarHBondContact O-N 3Å; L432-N435 PolarHBondContact O-ND2 2.86Å; L432-I437 HydrophobicContact CB-CD1 4.21Å; L432-I437 HydrophobicContact CD2-CD1 3.94Å; L432-I437 HydrophobicContact CG-CD1 4.46Å; L432-L456 HydrophobicContact CD1-CD2 4.39Å; L432-W458 HydrophobicContact CD1-CZ3 4.02Å; L432-H468 PolarHBondContact N-O 3.42Å; L432-L469 HydrophobicContact CB-CD2 4.08Å; L432-L469 HydrophobicContact CD1-CD2 4.37Å; L432-C472 PolarHBondContact O-SG 2.82Å
433	S	98.1	Very high	86.1	Confident	7 Å²	7	43.2 Å²	43.2	5%	0.049	23%	0.233	C	C	.	.			trans	-49.9	143.3	-176.8	-58.1	0	0	0	0	112.8	S409 R410 D431 N435 H468 R470	S409-S433 CarbonylContact C-O 3.52Å; S409-S433 WeakPolarHBondContact CA-O 3.26Å; S409-S433 WeakPolarHBondContact CB-O 3.49Å; R410-S433 PolarHBondContact N-O 2.94Å; D431-S433 WeakPolarHBondContact OD1-CB 3.09Å; D431-S433 PolarHBondContact OD1-N 3Å; D431-S433 PolarHBondContact OD1-OG 2.98Å; S433-N435 VanDerWaalsContact C-N 3.35Å; S433-N435 PolarHBondContact O-N 2.91Å; S433-N435 PolarHBondContact O-ND2 3.2Å; S433-H468 PolarHBondContact N-O 3.45Å; S433-R470 CarbonylContact C-O 3.52Å; S433-R470 VanDerWaalsContact CA-O 3.25Å; S433-R470 WeakPolarHBondContact CA-O 3.12Å; S433-R470 WeakPolarHBondContact CB-O 3.29Å; S433-R470 WeakPolarHBondContact OG-CB 3.18Å; S433-R470 PolarHBondContact OG-N 3.16Å; S433-R470 VanDerWaalsContact OG-N 3.11Å
434	Y	97.6	Very high	84.4	Confident	69 Å²	69	45.5 Å²	45.5	27%	0.271	24%	0.24	S	C	.	.	S	Bend	trans	57.9	44	180	-51.1	-71.9	0	0	0	113.2	R410 R470 D494	R410-Y434 WeakPolarHBondContact CA-O 3.24Å; R410-Y434 HydrophobicContact CG-CD2 3.96Å; R410-Y434 HydrophobicContact CG-CG 4.3Å; Y434-R470 HydrophobicContact CE2-CG 4.4Å; Y434-R470 PolarHBondContact N-O 3.04Å; Y434-R470 WeakPolarHBondContact OH-CD 3.15Å; Y434-R470 PolarHBondContact OH-NE 3.46Å; Y434-D494 PolarHBondContact OH-OD2 3.11Å
435	N	95.1	Very high	82.5	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.027	28%	0.275	C	S	.	.	S	Bend	trans	-126.2	145.6	163.5	-72.1	-85.4	0	0	0	108.6	L408 N411 L413 L432 S433 I437 C472	L408-N435 PolarHBondContact O-ND2 3.48Å; N411-N435 WeakPolarHBondContact CA-OD1 3.42Å; N411-N435 WeakPolarHBondContact CB-OD1 3.17Å; N411-N435 PolarHBondContact N-OD1 3.03Å; N411-N435 PolarHBondContact O-OD1 3.18Å; L413-N435 HydrophobicContact CB-CB 4.05Å; L413-N435 VanDerWaalsContact CB-OD1 3.25Å; L413-N435 WeakPolarHBondContact CB-OD1 3.47Å; L413-N435 WeakPolarHBondContact CG-OD1 3.3Å; L413-N435 PolarHBondContact N-OD1 3.35Å; L413-N435 VanDerWaalsContact N-OD1 3.09Å; L432-N435 WeakPolarHBondContact O-CB 3.38Å; L432-N435 PolarHBondContact O-N 3Å; L432-N435 PolarHBondContact O-ND2 2.86Å; S433-N435 VanDerWaalsContact C-N 3.35Å; S433-N435 PolarHBondContact O-N 2.91Å; S433-N435 PolarHBondContact O-ND2 3.2Å; N435-I437 VanDerWaalsContact C-N 3.29Å; N435-I437 HydrophobicContact CB-CD1 3.61Å; N435-I437 HydrophobicContact CB-CG1 3.8Å; N435-I437 PolarHBondContact O-N 3.05Å; N435-C472 CarbonylContact O-C 3.11Å; N435-C472 WeakPolarHBondContact O-CA 3.14Å; N435-C472 WeakPolarHBondContact O-CB 3.45Å; N435-C472 PolarHBondContact O-SG 3.47Å
436	N	89.8	Confident	80.5	Confident	92 Å²	92	59 Å²	59	49%	0.492	29%	0.286	S	S	.	.			trans	-84.8	66.7	-176.2	-171.2	96.9	0	0	0	111.5	L413 K414	L413-N436 CarbonylContact O-C 3.59Å; L413-N436 PolarHBondContact O-N 3.45Å; K414-N436 WeakPolarHBondContact CA-O 3.5Å
437	I	85.6	Confident	78.2	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.036	29%	0.294	C	S	.	.			trans	-104.9	128.6	-171.9	-62.1	169.6	0	0	0	110.9	L413 L432 N435 L456 L474	L413-I437 HydrophobicContact CB-CD1 4.11Å; L413-I437 HydrophobicContact CB-CG1 4.3Å; L432-I437 HydrophobicContact CB-CD1 4.21Å; L432-I437 HydrophobicContact CD2-CD1 3.94Å; L432-I437 HydrophobicContact CG-CD1 4.46Å; N435-I437 VanDerWaalsContact C-N 3.29Å; N435-I437 HydrophobicContact CB-CD1 3.61Å; N435-I437 HydrophobicContact CB-CG1 3.8Å; N435-I437 PolarHBondContact O-N 3.05Å; I437-L456 HydrophobicContact CG2-CB 4.01Å; I437-L456 HydrophobicContact CG2-CD2 4.35Å; I437-L474 WeakPolarHBondContact O-CD2 3.34Å
438	G	81.9	Confident	75.9	Confident	26 Å²	26	66.9 Å²	66.9	27%	0.268	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	165	170.3	0	0	0	0	0	113.6	C455 L456	G438-C455 WeakPolarHBondContact O-CA 3.5Å; G438-L456 VanDerWaalsContact O-CB 3.31Å; G438-L456 WeakPolarHBondContact O-CB 3.23Å; G438-L456 PolarHBondContact O-N 2.93Å
439	I	81.6	Confident	73.3	Confident	22 Å²	22	69.3 Å²	69.3	11%	0.113	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.2	176.6	-59.1	166.4	0	0	0	109.1	W458 L474 V477 P478 A481	I439-W458 HydrophobicContact CD1-CH2 4.17Å; I439-W458 HydrophobicContact CD1-CZ2 3.76Å; I439-W458 HydrophobicContact CG1-CH2 4.19Å; I439-W458 HydrophobicContact CG1-CZ2 3.92Å; I439-L474 HydrophobicContact CD1-CD1 4.02Å; I439-L474 HydrophobicContact CD1-CD2 3.76Å; I439-L474 HydrophobicContact CG1-CD2 3.87Å; I439-V477 HydrophobicContact CD1-CG1 4.19Å; I439-V477 HydrophobicContact CD1-CG2 4.28Å; I439-P478 HydrophobicContact CG2-CG 4.29Å; I439-A481 HydrophobicContact CG2-CB 3.81Å
440	C	70.8	Confident	70.6	Confident	25 Å²	25	81.1 Å²	81.1	17%	0.169	40%	0.399	C	S	.	.			trans	-75.2	141	-170.7	-63.3	0	0	0	0	114.4	C455 L456	C440-C455 WeakPolarHBondContact CA-SG 3.46Å; C440-C455 HydrophobicContact CB-CB 3.98Å; C440-C455 WeakPolarHBondContact CB-SG 3.2Å; C440-C455 WeakPolarHBondContact SG-CB 3.18Å; C440-C455 PolarHBondContact SG-O 2.8Å; C440-C455 CovalentContact SG-SG 2.04Å; C440-C455 PolarHBondContact SG-SG 2.96Å; C440-L456 PolarHBondContact N-O 2.86Å
441	L	64.6	Low	68	Low	92 Å²	92	85.7 Å²	85.7	48%	0.482	43%	0.431	S	S	.	.			trans	-76.1	137.9	159.2	-75.2	164.2	0	0	0	109.9	D443 E444 P478	L441-D443 VanDerWaalsContact C-N 3.3Å; L441-D443 PolarHBondContact O-N 2.81Å; L441-E444 HydrophobicContact CB-CG 3.89Å; L441-P478 HydrophobicContact CD2-CB 3.87Å; L441-P478 HydrophobicContact CD2-CG 3.83Å; L441-P478 HydrophobicContact CG-CG 4.03Å
442	P	55.1	Low	65.5	Low	82 Å²	82	91.2 Å²	91.2	53%	0.532	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15.9	-169.1	25.8	-34.9	0	0	0	115.8
443	D	52	Low	63.1	Low	108 Å²	108	94.5 Å²	94.5	58%	0.578	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-6.6	-175	-97.1	-60	0	0	0	115.3	L441 R445 K446	L441-D443 VanDerWaalsContact C-N 3.3Å; L441-D443 PolarHBondContact O-N 2.81Å; D443-R445 PolarHBondContact O-N 2.75Å; D443-R445 VanDerWaalsContact O-N 3.1Å; D443-K446 PolarHBondContact O-N 2.88Å; D443-K446 IonicContact OD1-NZ 2.85Å; D443-K446 PolarHBondContact OD1-NZ 2.99Å
444	E	50.7	Low	61.1	Low	86 Å²	86	99.2 Å²	99.2	40%	0.402	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-65.7	-20.2	-168.4	-70.4	-175.6	146.6	0	0	114.9	L441 K446	L441-E444 HydrophobicContact CB-CG 3.89Å; E444-K446 PolarHBondContact O-N 2.62Å
445	R	47.9	Very low	59.5	Low	199 Å²	199	97.2 Å²	97.2	75%	0.751	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-69.1	9.6	-179.9	-70.1	-172.4	174.5	-177.8	-0	115.4	D443	D443-R445 PolarHBondContact O-N 2.75Å; D443-R445 VanDerWaalsContact O-N 3.1Å
446	K	45	Very low	58.3	Low	163 Å²	163	97.3 Å²	97.3	71%	0.709	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-102	-4.1	-178.3	-78.4	175.3	-172	147.8	0	116.2	D443 E444	D443-K446 PolarHBondContact O-N 2.88Å; D443-K446 IonicContact OD1-NZ 2.85Å; D443-K446 PolarHBondContact OD1-NZ 2.99Å; E444-K446 PolarHBondContact O-N 2.62Å
447	I	45	Very low	57.4	Low	141 Å²	141	96.5 Å²	96.5	72%	0.723	49%	0.49	S	S	*	.	S	Bend	trans	-108.6	111.8	179.6	-58.4	-176.7	0	0	0	111.2	T449	I447-T449 PolarHBondContact O-N 2.77Å
448	N	47.2	Very low	56.9	Low	171 Å²	171	96.5 Å²	96.5	91%	0.914	49%	0.489	S	S	*	.			trans	-69.7	85.6	179	-77.8	-36.1	0	0	0	112.7
449	T	40.7	Very low	56.3	Low	112 Å²	112	97.3 Å²	97.3	69%	0.687	49%	0.487	S	S	*	.	S	Bend	trans	-144.2	158.9	164.1	27.4	0	0	0	0	111.5	I447 S451	I447-T449 PolarHBondContact O-N 2.77Å; T449-S451 PolarHBondContact O-N 3.03Å
450	R	41.8	Very low	56	Low	261 Å²	261	101.7 Å²	101.7	99%	0.985	51%	0.511	S	S	*	.	S	Bend	trans	-78.2	55.6	-174.6	-64.1	177.7	177.4	161.9	-3.2	113.4
451	S	42.5	Very low	56.7	Low	97 Å²	97	100.8 Å²	100.8	68%	0.678	51%	0.505	S	S	*	.			trans	-136.9	98.5	168.9	-168.5	0	0	0	0	107	T449 T453	T449-S451 PolarHBondContact O-N 3.03Å; S451-T453 PolarHBondContact O-N 3Å
452	I	46.3	Very low	57.8	Low	151 Å²	151	101.9 Å²	101.9	77%	0.774	51%	0.511	S	S	*	.			trans	-71.7	121.7	171.1	-59.4	170.6	0	0	0	105.2	E454	I452-E454 PolarHBondContact O-N 3.37Å
453	T	46.3	Very low	59.6	Low	69 Å²	69	99.4 Å²	99.4	42%	0.423	50%	0.496	S	S	.	.			trans	-69.2	114.8	178.1	22.9	0	0	0	0	109.8	S451 C455	S451-T453 PolarHBondContact O-N 3Å; T453-C455 PolarHBondContact O-N 2.95Å; T453-C455 PolarHBondContact O-SG 3.41Å
454	E	55	Low	61.7	Low	106 Å²	106	94.4 Å²	94.4	50%	0.495	47%	0.469	S	S	.	.			trans	-69.4	70.9	179.3	-61.1	-175.8	179.8	0	0	110.1	K414 I452	K414-E454 IonicContact NZ-OE1 2.78Å; K414-E454 PolarHBondContact NZ-OE1 2.84Å; K414-E454 IonicContact NZ-OE2 2.69Å; K414-E454 PolarHBondContact NZ-OE2 3.33Å; I452-E454 PolarHBondContact O-N 3.37Å
455	C	64.7	Low	63.9	Low	26 Å²	26	93.7 Å²	93.7	18%	0.176	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.9	-171	66.2	0	0	0	0	113.7	G438 C440 T453	G438-C455 WeakPolarHBondContact O-CA 3.5Å; C440-C455 WeakPolarHBondContact CA-SG 3.46Å; C440-C455 HydrophobicContact CB-CB 3.98Å; C440-C455 WeakPolarHBondContact CB-SG 3.2Å; C440-C455 WeakPolarHBondContact SG-CB 3.18Å; C440-C455 PolarHBondContact SG-O 2.8Å; C440-C455 CovalentContact SG-SG 2.04Å; C440-C455 PolarHBondContact SG-SG 2.96Å; T453-C455 PolarHBondContact O-N 2.95Å; T453-C455 PolarHBondContact O-SG 3.41Å
456	L	70.2	Confident	66.3	Low	8 Å²	8	86.3 Å²	86.3	4%	0.042	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	149.2	-173.1	-160.5	80.9	0	0	0	113.1	L416 L432 I437 G438 C440 W458	L416-L456 HydrophobicContact CB-CD1 3.62Å; L416-L456 HydrophobicContact CD1-CD1 3.92Å; L416-L456 HydrophobicContact CG-CD1 4.04Å; L432-L456 HydrophobicContact CD1-CD2 4.39Å; I437-L456 HydrophobicContact CG2-CB 4.01Å; I437-L456 HydrophobicContact CG2-CD2 4.35Å; G438-L456 VanDerWaalsContact O-CB 3.31Å; G438-L456 WeakPolarHBondContact O-CB 3.23Å; G438-L456 PolarHBondContact O-N 2.93Å; C440-L456 PolarHBondContact N-O 2.86Å; L456-W458 HydrophobicContact CD2-CD2 3.97Å; L456-W458 HydrophobicContact CD2-CE3 3.24Å; L456-W458 HydrophobicContact CD2-CH2 3.89Å; L456-W458 HydrophobicContact CD2-CZ3 3.19Å; L456-W458 HydrophobicContact CG-CE3 4.42Å
457	Q	70.9	Confident	68.7	Low	74 Å²	74	78.5 Å²	78.5	35%	0.346	40%	0.403	S	S	.	.			trans	-136.8	126.6	172.3	-173.8	176.8	-4.7	0	0	110.5
458	W	74.9	Confident	71.2	Confident	7 Å²	7	74 Å²	74	3%	0.027	38%	0.379	C	S	.	.			trans	-139.7	29	-173.1	53.1	26.8	0	0	0	112.9	L432 I439 L456 I461 L467 L469 A481 F482	L432-W458 HydrophobicContact CD1-CZ3 4.02Å; I439-W458 HydrophobicContact CD1-CH2 4.17Å; I439-W458 HydrophobicContact CD1-CZ2 3.76Å; I439-W458 HydrophobicContact CG1-CH2 4.19Å; I439-W458 HydrophobicContact CG1-CZ2 3.92Å; L456-W458 HydrophobicContact CD2-CD2 3.97Å; L456-W458 HydrophobicContact CD2-CE3 3.24Å; L456-W458 HydrophobicContact CD2-CH2 3.89Å; L456-W458 HydrophobicContact CD2-CZ3 3.19Å; L456-W458 HydrophobicContact CG-CE3 4.42Å; W458-I461 HydrophobicContact CB-CD1 3.85Å; W458-I461 WeakPolarHBondContact O-CD1 3.32Å; W458-I461 WeakPolarHBondContact O-CG1 3.41Å; W458-L467 HydrophobicContact CD2-CD2 4.37Å; W458-L467 HydrophobicContact CE3-CD1 4.18Å; W458-L467 HydrophobicContact CE3-CD2 4.31Å; W458-L467 HydrophobicContact CH2-CD1 4.48Å; W458-L467 HydrophobicContact CH2-CD2 4.18Å; W458-L467 HydrophobicContact CZ2-CD2 4.11Å; W458-L467 HydrophobicContact CZ3-CD1 3.91Å; W458-L467 HydrophobicContact CZ3-CD2 4.22Å; W458-L469 HydrophobicContact CH2-CD1 3.43Å; W458-L469 VanDerWaalsContact CH2-CD1 3.43Å; W458-L469 HydrophobicContact CH2-CD2 3.5Å; W458-L469 VanDerWaalsContact CH2-CD2 3.5Å; W458-L469 HydrophobicContact CH2-CG 4.06Å; W458-L469 HydrophobicContact CZ2-CD1 3.89Å; W458-L469 HydrophobicContact CZ3-CD1 4.3Å; W458-L469 HydrophobicContact CZ3-CD2 3.76Å; W458-A481 PolarHBondContact NE1-O 2.73Å; W458-F482 HydrophobicContact CZ2-CE1 4.14Å
459	N	69.8	Low	73.5	Confident	43 Å²	43	66 Å²	66	23%	0.23	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	153.3	-173.3	-54	17.8	0	0	0	110.7
460	N	74.4	Confident	76.3	Confident	115 Å²	115	65 Å²	65	62%	0.615	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	34.1	175.4	-49.3	-23.4	0	0	0	115.8	D462 T483 G484	N460-D462 PolarHBondContact O-N 3.09Å; N460-T483 PolarHBondContact N-O 2.9Å; N460-G484 CarbonylContact C-O 3.51Å; N460-G484 VanDerWaalsContact CA-O 3.23Å; N460-G484 WeakPolarHBondContact CA-O 3.31Å
461	I	86.6	Confident	78.8	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.031	28%	0.282	C	S	.	.			trans	-93.5	80.9	172.9	-49.4	176.9	0	0	0	109.7	F421 I427 W458 S463 L464 G484 L485	F421-I461 HydrophobicContact CB-CD1 3.68Å; I427-I461 HydrophobicContact CG2-CG2 3.77Å; W458-I461 HydrophobicContact CB-CD1 3.85Å; W458-I461 WeakPolarHBondContact O-CD1 3.32Å; W458-I461 WeakPolarHBondContact O-CG1 3.41Å; I461-S463 WeakPolarHBondContact CG2-OG 3.4Å; I461-S463 PolarHBondContact O-N 3.47Å; I461-S463 VanDerWaalsContact O-N 3.1Å; I461-L464 HydrophobicContact CB-CB 4.19Å; I461-L464 HydrophobicContact CG2-CB 3.8Å; I461-L464 PolarHBondContact O-N 2.83Å; I461-L464 VanDerWaalsContact O-N 3.11Å; I461-G484 PolarHBondContact N-O 3.48Å; I461-L485 HydrophobicContact CB-CD2 3.67Å; I461-L485 HydrophobicContact CG1-CD2 4.26Å
462	D	86.7	Confident	81.3	Confident	115 Å²	115	49 Å²	49	62%	0.615	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.4	-177.1	-78.9	-33.6	0	0	0	114.4	N460 R465	N460-D462 PolarHBondContact O-N 3.09Å; D462-R465 VanDerWaalsContact O-CZ 3.23Å; D462-R465 PolarHBondContact O-NH1 2.9Å; D462-R465 PolarHBondContact O-NH2 3.02Å
463	S	92.9	Very high	83.4	Confident	30 Å²	30	46.3 Å²	46.3	21%	0.21	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-30.6	175.6	44	0	0	0	0	113.6	I427 I461 R465	I427-S463 CarbonylContact O-C 3.56Å; I427-S463 VanDerWaalsContact O-CB 3.3Å; I427-S463 WeakPolarHBondContact O-CB 3.39Å; I427-S463 PolarHBondContact O-OG 2.95Å; I461-S463 WeakPolarHBondContact CG2-OG 3.4Å; I461-S463 PolarHBondContact O-N 3.47Å; I461-S463 VanDerWaalsContact O-N 3.1Å; S463-R465 VanDerWaalsContact C-NH1 3.32Å; S463-R465 PolarHBondContact O-NH1 3.27Å
464	L	95.3	Very high	85.4	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.219	C	C	.	.			trans	-71.7	131.7	-169.2	-169	68	0	0	0	112.3	I427 V430 I461 L467 L485 L487	I427-L464 HydrophobicContact CG1-CD1 4.33Å; I427-L464 WeakPolarHBondContact O-CA 3.36Å; I427-L464 PolarHBondContact O-N 2.85Å; V430-L464 HydrophobicContact CB-CD1 4.25Å; V430-L464 HydrophobicContact CG2-CD1 3.8Å; I461-L464 HydrophobicContact CB-CB 4.19Å; I461-L464 HydrophobicContact CG2-CB 3.8Å; I461-L464 PolarHBondContact O-N 2.83Å; I461-L464 VanDerWaalsContact O-N 3.11Å; L464-L467 HydrophobicContact CD2-CB 4.47Å; L464-L485 HydrophobicContact CD2-CD2 4.38Å; L464-L487 HydrophobicContact CB-CD2 4.37Å; L464-L487 HydrophobicContact CD2-CD2 3.96Å; L464-L487 HydrophobicContact CG-CD2 3.81Å
465	R	97	Very high	86.7	Confident	71 Å²	71	45 Å²	45	27%	0.268	23%	0.227	S	C	.	.			trans	-123.9	-28.3	-178	-63.7	-65.3	171.1	-86.2	-3.3	113.4	H428 D462 S463 S486 T488 H489	H428-R465 PolarHBondContact O-N 2.91Å; D462-R465 VanDerWaalsContact O-CZ 3.23Å; D462-R465 PolarHBondContact O-NH1 2.9Å; D462-R465 PolarHBondContact O-NH2 3.02Å; S463-R465 VanDerWaalsContact C-NH1 3.32Å; S463-R465 PolarHBondContact O-NH1 3.27Å; R465-S486 WeakPolarHBondContact CD-O 3.15Å; R465-T488 PolarHBondContact O-N 3.33Å; R465-T488 PolarHBondContact O-OG1 3.32Å; R465-H489 PolarHBondContact O-N 3.09Å
466	Q	98.3	Very high	87.4	Confident	43 Å²	43	47.1 Å²	47.1	20%	0.201	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.7	179.8	-54.2	-176.3	-40.2	0	0	109.6	H428 S429 V430 H489	H428-Q466 PolarHBondContact O-N 3.07Å; S429-Q466 WeakPolarHBondContact CA-O 3.17Å; S429-Q466 WeakPolarHBondContact OG-CB 2.99Å; S429-Q466 PolarHBondContact OG-OE1 3.15Å; V430-Q466 PolarHBondContact N-O 3.23Å; V430-Q466 VanDerWaalsContact N-O 3.14Å; Q466-H489 WeakPolarHBondContact CA-O 3.41Å; Q466-H489 HydrophobicContact CB-CB 4.22Å; Q466-H489 HydrophobicContact CG-CB 3.99Å
467	L	96.5	Very high	88.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	122.2	177.5	179.1	59.3	0	0	0	109.6	V430 W458 L464 L469 F482 L487 H489 L490 E491	V430-L467 HydrophobicContact CB-CD1 4.32Å; V430-L467 HydrophobicContact CG1-CD1 4.39Å; W458-L467 HydrophobicContact CD2-CD2 4.37Å; W458-L467 HydrophobicContact CE3-CD1 4.18Å; W458-L467 HydrophobicContact CE3-CD2 4.31Å; W458-L467 HydrophobicContact CH2-CD1 4.48Å; W458-L467 HydrophobicContact CH2-CD2 4.18Å; W458-L467 HydrophobicContact CZ2-CD2 4.11Å; W458-L467 HydrophobicContact CZ3-CD1 3.91Å; W458-L467 HydrophobicContact CZ3-CD2 4.22Å; L464-L467 HydrophobicContact CD2-CB 4.47Å; L467-L469 HydrophobicContact CD1-CD1 4.48Å; L467-L469 HydrophobicContact CD1-CD2 4.3Å; L467-L469 HydrophobicContact CD1-CG 4.24Å; L467-L469 HydrophobicContact CD2-CD1 3.99Å; L467-L469 HydrophobicContact CG-CD1 3.99Å; L467-L469 HydrophobicContact CG-CG 4.08Å; L467-F482 HydrophobicContact CD2-CD1 4.37Å; L467-F482 HydrophobicContact CD2-CE1 4.05Å; L467-L487 HydrophobicContact CB-CD1 3.93Å; L467-L487 HydrophobicContact CB-CD2 4.02Å; L467-L487 HydrophobicContact CD2-CD1 4.01Å; L467-H489 PolarHBondContact N-O 2.99Å; L467-H489 VanDerWaalsContact N-O 3.11Å; L467-L490 HydrophobicContact CB-CD1 4.17Å; L467-L490 HydrophobicContact CD2-CD1 4.28Å; L467-L490 HydrophobicContact CG-CD1 4.23Å; L467-L490 WeakPolarHBondContact O-CA 3.46Å; L467-E491 PolarHBondContact O-N 3Å
468	H	98	Very high	89	Confident	47 Å²	47	44.2 Å²	44.2	22%	0.218	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120	-177.2	-55.2	-101.5	0	0	0	110.1	V430 D431 L432 S433 E491	V430-H468 PolarHBondContact O-N 3.28Å; D431-H468 HydrophobicContact CB-CB 4Å; D431-H468 VanDerWaalsContact OD1-CB 3.26Å; D431-H468 WeakPolarHBondContact OD1-CB 3.11Å; L432-H468 PolarHBondContact N-O 3.42Å; S433-H468 PolarHBondContact N-O 3.45Å; H468-E491 HydrophobicContact CB-CB 4.39Å
469	L	95.9	Very high	89.4	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.016	26%	0.258	C	S	.	.			trans	-132.9	32.9	-172.9	-63	169.2	0	0	0	110.1	L432 W458 L467 G471 C472 L474 E491 L492 N495	L432-L469 HydrophobicContact CB-CD2 4.08Å; L432-L469 HydrophobicContact CD1-CD2 4.37Å; W458-L469 HydrophobicContact CH2-CD1 3.43Å; W458-L469 VanDerWaalsContact CH2-CD1 3.43Å; W458-L469 HydrophobicContact CH2-CD2 3.5Å; W458-L469 VanDerWaalsContact CH2-CD2 3.5Å; W458-L469 HydrophobicContact CH2-CG 4.06Å; W458-L469 HydrophobicContact CZ2-CD1 3.89Å; W458-L469 HydrophobicContact CZ3-CD1 4.3Å; W458-L469 HydrophobicContact CZ3-CD2 3.76Å; L467-L469 HydrophobicContact CD1-CD1 4.48Å; L467-L469 HydrophobicContact CD1-CD2 4.3Å; L467-L469 HydrophobicContact CD1-CG 4.24Å; L467-L469 HydrophobicContact CD2-CD1 3.99Å; L467-L469 HydrophobicContact CG-CD1 3.99Å; L467-L469 HydrophobicContact CG-CG 4.08Å; L469-G471 PolarHBondContact O-N 3.1Å; L469-C472 PolarHBondContact O-SG 3.21Å; L469-L474 HydrophobicContact CB-CD1 4.13Å; L469-L474 HydrophobicContact CD1-CD1 4.39Å; L469-E491 CarbonylContact C-O 3.53Å; L469-E491 PolarHBondContact N-O 3.17Å; L469-L492 HydrophobicContact CB-CD2 3.99Å; L469-L492 HydrophobicContact CD1-CD2 3.97Å; L469-N495 PolarHBondContact O-ND2 3.17Å
470	R	97.5	Very high	90.1	Very high	91 Å²	91	48.1 Å²	48.1	34%	0.343	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	124.3	-171.9	-171.6	176.6	170.9	178.1	-8.4	110.4	S433 Y434 C472 E491 S493 D494	S433-R470 CarbonylContact C-O 3.52Å; S433-R470 VanDerWaalsContact CA-O 3.25Å; S433-R470 WeakPolarHBondContact CA-O 3.12Å; S433-R470 WeakPolarHBondContact CB-O 3.29Å; S433-R470 WeakPolarHBondContact OG-CB 3.18Å; S433-R470 PolarHBondContact OG-N 3.16Å; S433-R470 VanDerWaalsContact OG-N 3.11Å; Y434-R470 HydrophobicContact CE2-CG 4.4Å; Y434-R470 PolarHBondContact N-O 3.04Å; Y434-R470 WeakPolarHBondContact OH-CD 3.15Å; Y434-R470 PolarHBondContact OH-NE 3.46Å; R470-C472 VanDerWaalsContact C-N 3.33Å; R470-C472 PolarHBondContact O-N 3.06Å; R470-E491 HydrophobicContact CB-CG 4.08Å; R470-S493 CarbonylContact C-O 3.26Å; R470-S493 VanDerWaalsContact CA-O 3.25Å; R470-S493 WeakPolarHBondContact CA-O 3.48Å; R470-S493 VanDerWaalsContact CG-O 3.26Å; R470-S493 WeakPolarHBondContact CG-O 3.43Å; R470-D494 HydrophobicContact CG-CB 4.25Å; R470-D494 IonicContact CZ-OD2 3.54Å; R470-D494 IonicContact NE-OD2 2.65Å; R470-D494 PolarHBondContact NE-OD2 2.91Å; R470-D494 IonicContact NH2-OD2 3.07Å; R470-D494 PolarHBondContact NH2-OD2 3.03Å
471	G	96.2	Very high	90.6	Very high	19 Å²	19	42.7 Å²	42.7	20%	0.196	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	35.2	177.1	0	0	0	0	0	114	L469 N473 S493 D494	L469-G471 PolarHBondContact O-N 3.1Å; G471-N473 VanDerWaalsContact C-N 3.29Å; G471-S493 PolarHBondContact N-O 2.87Å; G471-D494 WeakPolarHBondContact CA-O 3.44Å
472	C	93.9	Very high	90.7	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.014	23%	0.227	C	C	.	.	S	Bend	trans	-85.1	3.1	178	-72.7	0	0	0	0	114.4	L432 N435 L469 R470 L474 N495	L432-C472 PolarHBondContact O-SG 2.82Å; N435-C472 CarbonylContact O-C 3.11Å; N435-C472 WeakPolarHBondContact O-CA 3.14Å; N435-C472 WeakPolarHBondContact O-CB 3.45Å; N435-C472 PolarHBondContact O-SG 3.47Å; L469-C472 PolarHBondContact O-SG 3.21Å; R470-C472 VanDerWaalsContact C-N 3.33Å; R470-C472 PolarHBondContact O-N 3.06Å; C472-L474 VanDerWaalsContact C-N 3.31Å; C472-L474 HydrophobicContact CB-CD1 4.21Å; C472-L474 HydrophobicContact CB-CG 3.98Å; C472-L474 PolarHBondContact O-N 3.17Å; C472-N495 WeakPolarHBondContact CA-OD1 3.45Å; C472-N495 PolarHBondContact N-OD1 2.86Å
473	N	89.8	Confident	90.7	Very high	95 Å²	95	40 Å²	40	51%	0.508	22%	0.217	S	C	.	.			trans	60.4	36.2	-174.5	-160.8	57.7	0	0	0	113.5	G471 E475 N495	G471-N473 VanDerWaalsContact C-N 3.29Å; N473-E475 PolarHBondContact O-N 3.15Å; N473-N495 PolarHBondContact N-OD1 2.83Å
474	L	89.6	Confident	90.4	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.042	22%	0.221	C	C	.	.			trans	-75.1	111.6	176.4	-66.1	170.3	0	0	0	110.8	I437 I439 L469 C472 L492 N495 I498	I437-L474 WeakPolarHBondContact O-CD2 3.34Å; I439-L474 HydrophobicContact CD1-CD1 4.02Å; I439-L474 HydrophobicContact CD1-CD2 3.76Å; I439-L474 HydrophobicContact CG1-CD2 3.87Å; L469-L474 HydrophobicContact CB-CD1 4.13Å; L469-L474 HydrophobicContact CD1-CD1 4.39Å; C472-L474 VanDerWaalsContact C-N 3.31Å; C472-L474 HydrophobicContact CB-CD1 4.21Å; C472-L474 HydrophobicContact CB-CG 3.98Å; C472-L474 PolarHBondContact O-N 3.17Å; L474-L492 HydrophobicContact CD1-CD2 4.08Å; L474-N495 HydrophobicContact CB-CB 4.28Å; L474-N495 PolarHBondContact N-OD1 2.99Å; L474-I498 HydrophobicContact CB-CD1 3.66Å; L474-I498 HydrophobicContact CB-CG1 4.11Å; L474-I498 HydrophobicContact CD1-CD1 4.13Å; L474-I498 WeakPolarHBondContact O-CB 3.41Å; L474-I498 WeakPolarHBondContact O-CG1 3.48Å
475	E	82.1	Confident	90.2	Very high	140 Å²	140	40.3 Å²	40.3	65%	0.654	22%	0.223	S	C	*	.	S	Bend	trans	-84.7	-33.9	174	-62.8	-165.2	161.2	0	0	112.9	N473	N473-E475 PolarHBondContact O-N 3.15Å
476	A	79.7	Confident	90	Very high	69 Å²	69	38.9 Å²	38.9	57%	0.57	22%	0.224	S	C	*	.	B	Isolated β-bridge	trans	-144	142.6	180	0	0	0	0	0	111.4
477	V	86.9	Confident	89.9	Confident	8 Å²	8	36.9 Å²	36.9	5%	0.048	21%	0.214	C	C	.	.			trans	-118.1	113.5	176.6	-177.1	0	0	0	0	109.8	I439 A481 F482 I498 D499 V500	I439-V477 HydrophobicContact CD1-CG1 4.19Å; I439-V477 HydrophobicContact CD1-CG2 4.28Å; V477-A481 HydrophobicContact CG1-CB 3.62Å; V477-F482 HydrophobicContact CG1-CE2 3.74Å; V477-F482 HydrophobicContact CG1-CZ 3.79Å; V477-I498 HydrophobicContact CG2-CD1 3.59Å; V477-I498 HydrophobicContact CG2-CG1 3.8Å; V477-D499 PolarHBondContact N-O 2.89Å; V477-V500 HydrophobicContact CB-CG1 4.4Å; V477-V500 HydrophobicContact CG2-CG1 4.02Å
478	P	86.3	Confident	90	Very high	13 Å²	13	38 Å²	38	8%	0.084	22%	0.222	C	C	.	.			trans	-50.9	140.7	178.7	-31.7	37.5	0	0	0	114	I439 L441 S480 A481 S503	I439-P478 HydrophobicContact CG2-CG 4.29Å; L441-P478 HydrophobicContact CD2-CB 3.87Å; L441-P478 HydrophobicContact CD2-CG 3.83Å; L441-P478 HydrophobicContact CG-CG 4.03Å; P478-S480 PolarHBondContact O-N 3.13Å; P478-A481 HydrophobicContact CB-CB 4.25Å; P478-A481 WeakPolarHBondContact O-CB 3.25Å; P478-A481 PolarHBondContact O-N 3.03Å; P478-S503 VanDerWaalsContact O-CB 3.25Å; P478-S503 WeakPolarHBondContact O-CB 3.26Å
479	N	84.8	Confident	90	Very high	99 Å²	99	38.2 Å²	38.2	53%	0.529	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.1	179.9	-63	16.1	0	0	0	113	D502	N479-D502 HydrophobicContact CB-CB 4.39Å; N479-D502 VanDerWaalsContact CG-CB 3.45Å; N479-D502 WeakPolarHBondContact ND2-CB 3.24Å; N479-D502 PolarHBondContact ND2-OD2 2.92Å
480	S	83.3	Confident	90.1	Very high	33 Å²	33	38.2 Å²	38.2	23%	0.231	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.1	175.2	57.8	0	0	0	0	115.2	P478 F482 T483	P478-S480 PolarHBondContact O-N 3.13Å; S480-F482 VanDerWaalsContact C-N 3.26Å; S480-F482 PolarHBondContact O-N 3.14Å; S480-T483 WeakPolarHBondContact CA-OG1 3.48Å; S480-T483 WeakPolarHBondContact O-CB 3.42Å; S480-T483 PolarHBondContact O-N 3.05Å; S480-T483 VanDerWaalsContact O-N 3.13Å; S480-T483 PolarHBondContact O-OG1 2.81Å
481	A	85.1	Confident	90.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-28.9	-167.6	0	0	0	0	0	114.3	I439 W458 V477 P478	I439-A481 HydrophobicContact CG2-CB 3.81Å; W458-A481 PolarHBondContact NE1-O 2.73Å; V477-A481 HydrophobicContact CG1-CB 3.62Å; P478-A481 HydrophobicContact CB-CB 4.25Å; P478-A481 WeakPolarHBondContact O-CB 3.25Å; P478-A481 PolarHBondContact O-N 3.03Å
482	F	89.6	Confident	90.2	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	14	179	-48.8	-56.6	0	0	0	112.8	W458 L467 V477 S480 G484 L485 L487 L490 L504 L507	W458-F482 HydrophobicContact CZ2-CE1 4.14Å; L467-F482 HydrophobicContact CD2-CD1 4.37Å; L467-F482 HydrophobicContact CD2-CE1 4.05Å; V477-F482 HydrophobicContact CG1-CE2 3.74Å; V477-F482 HydrophobicContact CG1-CZ 3.79Å; S480-F482 VanDerWaalsContact C-N 3.26Å; S480-F482 PolarHBondContact O-N 3.14Å; F482-G484 PolarHBondContact O-N 2.55Å; F482-L485 HydrophobicContact CB-CD1 4.19Å; F482-L485 HydrophobicContact CD1-CD1 4.04Å; F482-L485 WeakPolarHBondContact O-CB 3.15Å; F482-L485 PolarHBondContact O-N 2.91Å; F482-L485 VanDerWaalsContact O-N 3.15Å; F482-L487 HydrophobicContact CD1-CD1 4.42Å; F482-L490 HydrophobicContact CD2-CD2 4.37Å; F482-L490 HydrophobicContact CE1-CD1 4.44Å; F482-L490 HydrophobicContact CE1-CD2 4.46Å; F482-L490 HydrophobicContact CE2-CD2 3.96Å; F482-L490 HydrophobicContact CZ-CD1 4.4Å; F482-L490 HydrophobicContact CZ-CD2 4.02Å; F482-L504 HydrophobicContact CE2-CD2 4.31Å; F482-L507 HydrophobicContact CB-CD1 3.94Å; F482-L507 HydrophobicContact CB-CD2 4.07Å; F482-L507 HydrophobicContact CB-CG 4.01Å; F482-L507 HydrophobicContact CD2-CD1 3.99Å; F482-L507 HydrophobicContact CG-CD1 4.01Å
483	T	86.1	Confident	90.4	Very high	63 Å²	63	34.8 Å²	34.8	39%	0.387	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	131	177.4	-59.5	0	0	0	0	110.9	N460 S480 L485	N460-T483 PolarHBondContact N-O 2.9Å; S480-T483 WeakPolarHBondContact CA-OG1 3.48Å; S480-T483 WeakPolarHBondContact O-CB 3.42Å; S480-T483 PolarHBondContact O-N 3.05Å; S480-T483 VanDerWaalsContact O-N 3.13Å; S480-T483 PolarHBondContact O-OG1 2.81Å; T483-L485 VanDerWaalsContact C-N 3.31Å
484	G	85.9	Confident	90.7	Very high	29 Å²	29	31.9 Å²	31.9	30%	0.299	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	18	-174.9	0	0	0	0	0	114	N460 I461 F482	N460-G484 CarbonylContact C-O 3.51Å; N460-G484 VanDerWaalsContact CA-O 3.23Å; N460-G484 WeakPolarHBondContact CA-O 3.31Å; I461-G484 PolarHBondContact N-O 3.48Å; F482-G484 PolarHBondContact O-N 2.55Å
485	L	91.3	Very high	91	Very high	11 Å²	11	31.5 Å²	31.5	6%	0.058	19%	0.188	C	C	.	.			trans	-106.1	144.8	168.4	-57.5	-176.9	0	0	0	110.8	I461 L464 F482 T483 L487 L507	I461-L485 HydrophobicContact CB-CD2 3.67Å; I461-L485 HydrophobicContact CG1-CD2 4.26Å; L464-L485 HydrophobicContact CD2-CD2 4.38Å; F482-L485 HydrophobicContact CB-CD1 4.19Å; F482-L485 HydrophobicContact CD1-CD1 4.04Å; F482-L485 WeakPolarHBondContact O-CB 3.15Å; F482-L485 PolarHBondContact O-N 2.91Å; F482-L485 VanDerWaalsContact O-N 3.15Å; T483-L485 VanDerWaalsContact C-N 3.31Å; L485-L487 HydrophobicContact CB-CD2 4.46Å; L485-L487 HydrophobicContact CB-CG 3.98Å; L485-L487 HydrophobicContact CD1-CD1 4.11Å; L485-L487 HydrophobicContact CD1-CD2 4.43Å; L485-L487 HydrophobicContact CD1-CG 4.19Å; L485-L507 HydrophobicContact CB-CD2 4.38Å
486	S	93.8	Very high	91.5	Very high	42 Å²	42	27.1 Å²	27.1	29%	0.294	17%	0.171	S	C	.	.			trans	-110.2	47.4	173.9	-70.1	0	0	0	0	111.4	R465 T488	R465-S486 WeakPolarHBondContact CD-O 3.15Å; S486-T488 PolarHBondContact O-N 2.97Å
487	L	96.6	Very high	92	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.			trans	-61.6	135.6	-175.7	-62	-176.5	0	0	0	111.9	L464 L467 F482 L485 L490 L507 T510 L511	L464-L487 HydrophobicContact CB-CD2 4.37Å; L464-L487 HydrophobicContact CD2-CD2 3.96Å; L464-L487 HydrophobicContact CG-CD2 3.81Å; L467-L487 HydrophobicContact CB-CD1 3.93Å; L467-L487 HydrophobicContact CB-CD2 4.02Å; L467-L487 HydrophobicContact CD2-CD1 4.01Å; F482-L487 HydrophobicContact CD1-CD1 4.42Å; L485-L487 HydrophobicContact CB-CD2 4.46Å; L485-L487 HydrophobicContact CB-CG 3.98Å; L485-L487 HydrophobicContact CD1-CD1 4.11Å; L485-L487 HydrophobicContact CD1-CD2 4.43Å; L485-L487 HydrophobicContact CD1-CG 4.19Å; L487-L490 HydrophobicContact CD1-CB 4.44Å; L487-L490 HydrophobicContact CD1-CD1 4.17Å; L487-L490 HydrophobicContact CD1-CD2 4.3Å; L487-L507 HydrophobicContact CB-CD1 4.26Å; L487-L507 HydrophobicContact CB-CD2 4Å; L487-L507 HydrophobicContact CD1-CD1 3.96Å; L487-L507 HydrophobicContact CD1-CD2 4.47Å; L487-L507 HydrophobicContact CG-CD1 4.49Å; L487-L507 HydrophobicContact CG-CD2 4.22Å; L487-T510 CarbonylContact O-C 3.56Å; L487-T510 VanDerWaalsContact O-C 3.23Å; L487-T510 VanDerWaalsContact O-CB 3.24Å; L487-T510 WeakPolarHBondContact O-CB 3.44Å; L487-T510 PolarHBondContact O-OG1 2.91Å; L487-L511 HydrophobicContact CB-CD1 4.5Å; L487-L511 WeakPolarHBondContact O-CA 3.47Å; L487-L511 PolarHBondContact O-N 3.04Å
488	T	97.9	Very high	92.1	Very high	25 Å²	25	33 Å²	33	15%	0.153	18%	0.179	C	C	.	.	S	Bend	trans	-106.4	-24.8	170.4	63.9	0	0	0	0	111.7	R465 S486 Q512 H513	R465-T488 PolarHBondContact O-N 3.33Å; R465-T488 PolarHBondContact O-OG1 3.32Å; S486-T488 PolarHBondContact O-N 2.97Å; T488-Q512 CarbonylContact O-C 3.56Å; T488-Q512 WeakPolarHBondContact O-CA 3.46Å; T488-Q512 PolarHBondContact O-N 2.81Å; T488-H513 PolarHBondContact O-N 3.39Å
489	H	98.6	Very high	92.3	Very high	51 Å²	51	37.7 Å²	37.7	24%	0.236	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.1	173.9	-56.1	60.3	0	0	0	109.7	R465 Q466 L467 H513	R465-H489 PolarHBondContact O-N 3.09Å; Q466-H489 WeakPolarHBondContact CA-O 3.41Å; Q466-H489 HydrophobicContact CB-CB 4.22Å; Q466-H489 HydrophobicContact CG-CB 3.99Å; L467-H489 PolarHBondContact N-O 2.99Å; L467-H489 VanDerWaalsContact N-O 3.11Å; H489-H513 WeakPolarHBondContact CA-O 3.45Å; H489-H513 HydrophobicContact CB-CB 4.25Å; H489-H513 AromaticContact CD2-CD2 3.59Å; H489-H513 AromaticContact CD2-CG 3.54Å; H489-H513 AromaticContact CE1-CD2 3.67Å; H489-H513 AromaticContact NE2-CD2 3.33Å; H489-H513 PolarHBondContact NE2-CD2 2.73Å; H489-H513 VanDerWaalsContact NE2-CD2 3.33Å; H489-H513 AromaticContact NE2-CG 3.72Å; H489-H513 AromaticContact NE2-NE2 3.73Å
490	L	97.9	Very high	92.6	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	120.7	174.5	-179.5	52.4	0	0	0	109.5	L467 F482 L487 L492 L504 L507 L511 H513 L514 G515	L467-L490 HydrophobicContact CB-CD1 4.17Å; L467-L490 HydrophobicContact CD2-CD1 4.28Å; L467-L490 HydrophobicContact CG-CD1 4.23Å; L467-L490 WeakPolarHBondContact O-CA 3.46Å; F482-L490 HydrophobicContact CD2-CD2 4.37Å; F482-L490 HydrophobicContact CE1-CD1 4.44Å; F482-L490 HydrophobicContact CE1-CD2 4.46Å; F482-L490 HydrophobicContact CE2-CD2 3.96Å; F482-L490 HydrophobicContact CZ-CD1 4.4Å; F482-L490 HydrophobicContact CZ-CD2 4.02Å; L487-L490 HydrophobicContact CD1-CB 4.44Å; L487-L490 HydrophobicContact CD1-CD1 4.17Å; L487-L490 HydrophobicContact CD1-CD2 4.3Å; L490-L492 HydrophobicContact CD1-CD1 4.16Å; L490-L492 HydrophobicContact CD1-CG 4.04Å; L490-L492 HydrophobicContact CD2-CD1 3.84Å; L490-L492 HydrophobicContact CG-CD1 3.76Å; L490-L492 HydrophobicContact CG-CG 4.04Å; L490-L504 HydrophobicContact CD2-CD2 3.47Å; L490-L504 VanDerWaalsContact CD2-CD2 3.47Å; L490-L507 HydrophobicContact CD2-CD1 3.61Å; L490-L511 HydrophobicContact CB-CD1 3.78Å; L490-H513 PolarHBondContact N-O 3.48Å; L490-L514 WeakPolarHBondContact O-CA 3.35Å; L490-G515 PolarHBondContact O-N 3.11Å
491	E	98.1	Very high	92.9	Very high	38 Å²	38	34.2 Å²	34.2	18%	0.178	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	110.5	-178.2	175.7	57.5	-81.5	0	0	109.9	L467 H468 L469 R470 S493 G515	L467-E491 PolarHBondContact O-N 3Å; H468-E491 HydrophobicContact CB-CB 4.39Å; L469-E491 CarbonylContact C-O 3.53Å; L469-E491 PolarHBondContact N-O 3.17Å; R470-E491 HydrophobicContact CB-CG 4.08Å; E491-S493 WeakPolarHBondContact OE1-CB 3.46Å; E491-S493 PolarHBondContact OE1-N 2.81Å; E491-S493 PolarHBondContact OE1-OG 3.05Å; E491-G515 VanDerWaalsContact OE1-CA 3.3Å; E491-G515 WeakPolarHBondContact OE1-CA 3.41Å
492	L	96.9	Very high	93.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.			trans	-122.3	11.3	-174.7	-72.5	161.7	0	0	0	112.1	L469 L474 L490 N495 I498 V500 L504 G515 L516	L469-L492 HydrophobicContact CB-CD2 3.99Å; L469-L492 HydrophobicContact CD1-CD2 3.97Å; L474-L492 HydrophobicContact CD1-CD2 4.08Å; L490-L492 HydrophobicContact CD1-CD1 4.16Å; L490-L492 HydrophobicContact CD1-CG 4.04Å; L490-L492 HydrophobicContact CD2-CD1 3.84Å; L490-L492 HydrophobicContact CG-CD1 3.76Å; L490-L492 HydrophobicContact CG-CG 4.04Å; L492-N495 PolarHBondContact O-ND2 3.38Å; L492-I498 HydrophobicContact CD2-CD1 3.95Å; L492-V500 HydrophobicContact CD1-CG1 4.24Å; L492-L504 HydrophobicContact CD1-CD2 4.45Å; L492-G515 CarbonylContact C-O 3.57Å; L492-G515 WeakPolarHBondContact CA-O 3.49Å; L492-G515 WeakPolarHBondContact CB-O 3.25Å; L492-G515 PolarHBondContact N-O 3.48Å; L492-L516 HydrophobicContact CB-CD2 3.95Å; L492-L516 HydrophobicContact CD1-CD2 4.34Å
493	S	97.7	Very high	93.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	164.5	179.2	-55.9	0	0	0	0	112.9	R470 G471 E491 N495 G515 L516 G517 N536	R470-S493 CarbonylContact C-O 3.26Å; R470-S493 VanDerWaalsContact CA-O 3.25Å; R470-S493 WeakPolarHBondContact CA-O 3.48Å; R470-S493 VanDerWaalsContact CG-O 3.26Å; R470-S493 WeakPolarHBondContact CG-O 3.43Å; G471-S493 PolarHBondContact N-O 2.87Å; E491-S493 WeakPolarHBondContact OE1-CB 3.46Å; E491-S493 PolarHBondContact OE1-N 2.81Å; E491-S493 PolarHBondContact OE1-OG 3.05Å; S493-N495 PolarHBondContact O-N 3.1Å; S493-N495 VanDerWaalsContact O-N 3.13Å; S493-N495 PolarHBondContact O-ND2 2.8Å; S493-G515 PolarHBondContact N-O 3.47Å; S493-L516 PolarHBondContact OG-N 2.77Å; S493-G517 CarbonylContact C-O 3.48Å; S493-G517 WeakPolarHBondContact CA-O 3.25Å; S493-G517 WeakPolarHBondContact CB-O 3.39Å; S493-G517 PolarHBondContact OG-N 2.68Å; S493-N536 PolarHBondContact OG-ND2 3.3Å
494	D	97.1	Very high	93.4	Very high	33 Å²	33	35.1 Å²	35.1	18%	0.176	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	16.5	-178	-62.8	-41.3	0	0	0	115.3	Y434 R470 G471 P496 G517 N518	Y434-D494 PolarHBondContact OH-OD2 3.11Å; R470-D494 HydrophobicContact CG-CB 4.25Å; R470-D494 IonicContact CZ-OD2 3.54Å; R470-D494 IonicContact NE-OD2 2.65Å; R470-D494 PolarHBondContact NE-OD2 2.91Å; R470-D494 IonicContact NH2-OD2 3.07Å; R470-D494 PolarHBondContact NH2-OD2 3.03Å; G471-D494 WeakPolarHBondContact CA-O 3.44Å; D494-P496 WeakPolarHBondContact O-CD 3.41Å; D494-G517 PolarHBondContact N-O 3.24Å; D494-N518 WeakPolarHBondContact OD1-CB 3.16Å; D494-N518 PolarHBondContact OD1-ND2 3.43Å
495	N	95.5	Very high	93.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.			trans	-101.8	94.6	168.9	-66.3	-72	0	0	0	109.8	L469 C472 N473 L474 L492 S493 I498 T519	L469-N495 PolarHBondContact O-ND2 3.17Å; C472-N495 WeakPolarHBondContact CA-OD1 3.45Å; C472-N495 PolarHBondContact N-OD1 2.86Å; N473-N495 PolarHBondContact N-OD1 2.83Å; L474-N495 HydrophobicContact CB-CB 4.28Å; L474-N495 PolarHBondContact N-OD1 2.99Å; L492-N495 PolarHBondContact O-ND2 3.38Å; S493-N495 PolarHBondContact O-N 3.1Å; S493-N495 VanDerWaalsContact O-N 3.13Å; S493-N495 PolarHBondContact O-ND2 2.8Å; N495-I498 HydrophobicContact CB-CB 3.97Å; N495-I498 HydrophobicContact CB-CD1 3.92Å; N495-I498 HydrophobicContact CB-CG1 4.44Å; N495-I498 HydrophobicContact CB-CG2 4.07Å; N495-I498 WeakPolarHBondContact O-CB 3.44Å; N495-I498 VanDerWaalsContact O-CG2 3.24Å; N495-I498 WeakPolarHBondContact O-CG2 3.43Å; N495-I498 PolarHBondContact O-N 2.93Å; N495-T519 WeakPolarHBondContact O-CA 3.07Å
496	P	92.7	Very high	93.7	Very high	48 Å²	48	41.4 Å²	41.4	31%	0.312	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	133.2	-169	-12.4	30.3	0	0	0	111.3	D494 I498 Q520	D494-P496 WeakPolarHBondContact O-CD 3.41Å; P496-I498 VanDerWaalsContact C-N 3.3Å; P496-Q520 HydrophobicContact CB-CG 4.28Å
497	R	89.1	Confident	93.7	Very high	191 Å²	191	39.4 Å²	39.4	72%	0.721	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	9.1	-175.7	-48.9	172.5	177.9	163.4	-0.9	115.8	D499 T519	R497-D499 PolarHBondContact O-N 2.59Å; R497-T519 WeakPolarHBondContact CA-O 3.36Å; R497-T519 PolarHBondContact N-O 3.4Å
498	I	90.9	Very high	93.5	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.056	20%	0.204	C	C	.	.			trans	-57.3	123.5	176.8	-161.2	-178	0	0	0	111.1	L474 V477 L492 N495 P496 V500 T519	L474-I498 HydrophobicContact CB-CD1 3.66Å; L474-I498 HydrophobicContact CB-CG1 4.11Å; L474-I498 HydrophobicContact CD1-CD1 4.13Å; L474-I498 WeakPolarHBondContact O-CB 3.41Å; L474-I498 WeakPolarHBondContact O-CG1 3.48Å; V477-I498 HydrophobicContact CG2-CD1 3.59Å; V477-I498 HydrophobicContact CG2-CG1 3.8Å; L492-I498 HydrophobicContact CD2-CD1 3.95Å; N495-I498 HydrophobicContact CB-CB 3.97Å; N495-I498 HydrophobicContact CB-CD1 3.92Å; N495-I498 HydrophobicContact CB-CG1 4.44Å; N495-I498 HydrophobicContact CB-CG2 4.07Å; N495-I498 WeakPolarHBondContact O-CB 3.44Å; N495-I498 VanDerWaalsContact O-CG2 3.24Å; N495-I498 WeakPolarHBondContact O-CG2 3.43Å; N495-I498 PolarHBondContact O-N 2.93Å; P496-I498 VanDerWaalsContact C-N 3.3Å; I498-V500 HydrophobicContact CD1-CG1 3.82Å; I498-V500 HydrophobicContact CG1-CG1 3.77Å; I498-V500 HydrophobicContact CG2-CG1 4.25Å; I498-T519 HydrophobicContact CG2-CG2 3.68Å
499	D	88.7	Confident	93.3	Very high	110 Å²	110	49.7 Å²	49.7	59%	0.588	24%	0.236	S	C	*	.	B	Isolated β-bridge	trans	-94.5	133.9	166.7	-163.7	-4.5	0	0	0	110.5	V477 R497 Q501	V477-D499 PolarHBondContact N-O 2.89Å; R497-D499 PolarHBondContact O-N 2.59Å; D499-Q501 PolarHBondContact OD1-N 3.05Å
500	V	91.1	Very high	93.2	Very high	6 Å²	6	49.1 Å²	49.1	4%	0.036	24%	0.236	C	C	.	.			trans	-145.5	-0.4	-169.8	-59.1	0	0	0	0	113.2	V477 L492 I498 D502 S503 L504 L516	V477-V500 HydrophobicContact CB-CG1 4.4Å; V477-V500 HydrophobicContact CG2-CG1 4.02Å; L492-V500 HydrophobicContact CD1-CG1 4.24Å; I498-V500 HydrophobicContact CD1-CG1 3.82Å; I498-V500 HydrophobicContact CG1-CG1 3.77Å; I498-V500 HydrophobicContact CG2-CG1 4.25Å; V500-D502 VanDerWaalsContact C-N 3.3Å; V500-D502 PolarHBondContact O-N 3Å; V500-S503 WeakPolarHBondContact CA-OG 3.48Å; V500-S503 PolarHBondContact O-N 2.89Å; V500-S503 PolarHBondContact O-OG 2.96Å; V500-L504 HydrophobicContact CB-CD1 3.96Å; V500-L504 HydrophobicContact CB-CG 4.06Å; V500-L504 HydrophobicContact CG2-CD1 3.65Å; V500-L504 HydrophobicContact CG2-CG 4.31Å; V500-L504 WeakPolarHBondContact O-CB 3.09Å; V500-L504 VanDerWaalsContact O-CG 3.27Å; V500-L504 WeakPolarHBondContact O-CG 3.06Å; V500-L504 PolarHBondContact O-N 3.33Å; V500-L504 VanDerWaalsContact O-N 3.07Å; V500-L516 HydrophobicContact CG2-CD2 4.06Å
501	Q	90.2	Very high	93.2	Very high	53 Å²	53	49 Å²	49	25%	0.248	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-37.7	-169.7	179.1	59.7	77.8	0	0	112.6	D499 Q505 D525	D499-Q501 PolarHBondContact OD1-N 3.05Å; Q501-Q505 WeakPolarHBondContact O-CG 3.48Å; Q501-D525 PolarHBondContact NE2-O 3.26Å; Q501-D525 VanDerWaalsContact NE2-O 3.09Å
502	D	89.6	Confident	93.2	Very high	83 Å²	83	49.8 Å²	49.8	44%	0.444	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-40.6	176.9	-77.4	-9.6	0	0	0	113.1	N479 V500 L504 Q505	N479-D502 HydrophobicContact CB-CB 4.39Å; N479-D502 VanDerWaalsContact CG-CB 3.45Å; N479-D502 WeakPolarHBondContact ND2-CB 3.24Å; N479-D502 PolarHBondContact ND2-OD2 2.92Å; V500-D502 VanDerWaalsContact C-N 3.3Å; V500-D502 PolarHBondContact O-N 3Å; D502-L504 VanDerWaalsContact C-N 3.29Å; D502-L504 PolarHBondContact O-N 2.69Å; D502-Q505 WeakPolarHBondContact O-CB 3.47Å; D502-Q505 WeakPolarHBondContact O-CG 3.48Å; D502-Q505 PolarHBondContact O-N 3.22Å; D502-Q505 VanDerWaalsContact O-N 3.14Å; D502-Q505 PolarHBondContact OD1-NE2 3.22Å
503	S	89.8	Confident	93.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-67.2	-28.6	-176.5	58.5	0	0	0	0	113.1	P478 V500 Q505 C506	P478-S503 VanDerWaalsContact O-CB 3.25Å; P478-S503 WeakPolarHBondContact O-CB 3.26Å; V500-S503 WeakPolarHBondContact CA-OG 3.48Å; V500-S503 PolarHBondContact O-N 2.89Å; V500-S503 PolarHBondContact O-OG 2.96Å; S503-Q505 VanDerWaalsContact C-N 3.33Å; S503-Q505 PolarHBondContact O-N 3.3Å; S503-C506 PolarHBondContact O-SG 2.87Å; S503-C506 VanDerWaalsContact O-SG 3.34Å
504	L	93.1	Very high	93.3	Very high	1 Å²	1	53 Å²	53	1%	0.005	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-73.4	-18.1	174.3	-67.4	174.5	0	0	0	114.2	F482 L490 L492 V500 D502 C506 L507 L514 I524 F529	F482-L504 HydrophobicContact CE2-CD2 4.31Å; L490-L504 HydrophobicContact CD2-CD2 3.47Å; L490-L504 VanDerWaalsContact CD2-CD2 3.47Å; L492-L504 HydrophobicContact CD1-CD2 4.45Å; V500-L504 HydrophobicContact CB-CD1 3.96Å; V500-L504 HydrophobicContact CB-CG 4.06Å; V500-L504 HydrophobicContact CG2-CD1 3.65Å; V500-L504 HydrophobicContact CG2-CG 4.31Å; V500-L504 WeakPolarHBondContact O-CB 3.09Å; V500-L504 VanDerWaalsContact O-CG 3.27Å; V500-L504 WeakPolarHBondContact O-CG 3.06Å; V500-L504 PolarHBondContact O-N 3.33Å; V500-L504 VanDerWaalsContact O-N 3.07Å; D502-L504 VanDerWaalsContact C-N 3.29Å; D502-L504 PolarHBondContact O-N 2.69Å; L504-C506 PolarHBondContact O-N 3.09Å; L504-C506 VanDerWaalsContact O-N 3.16Å; L504-L507 HydrophobicContact CD2-CD1 4.3Å; L504-L507 PolarHBondContact O-N 3.48Å; L504-L514 HydrophobicContact CD1-CD1 4.29Å; L504-L514 HydrophobicContact CD1-CD2 4.08Å; L504-L514 HydrophobicContact CD2-CD1 4.36Å; L504-I524 HydrophobicContact CD1-CD1 4.32Å; L504-F529 HydrophobicContact CB-CE1 4.15Å; L504-F529 HydrophobicContact CB-CZ 3.77Å; L504-F529 VanDerWaalsContact O-CZ 3.31Å; L504-F529 WeakPolarHBondContact O-CZ 3.1Å
505	Q	91.7	Very high	93.3	Very high	106 Å²	106	51.5 Å²	51.5	50%	0.495	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-58.7	-34.8	-171.1	-66	-174.6	25.7	0	0	113	Q501 D502 S503 L507 S508	Q501-Q505 WeakPolarHBondContact O-CG 3.48Å; D502-Q505 WeakPolarHBondContact O-CB 3.47Å; D502-Q505 WeakPolarHBondContact O-CG 3.48Å; D502-Q505 PolarHBondContact O-N 3.22Å; D502-Q505 VanDerWaalsContact O-N 3.14Å; D502-Q505 PolarHBondContact OD1-NE2 3.22Å; S503-Q505 VanDerWaalsContact C-N 3.33Å; S503-Q505 PolarHBondContact O-N 3.3Å; Q505-L507 VanDerWaalsContact C-N 3.26Å; Q505-L507 PolarHBondContact O-N 3.15Å; Q505-S508 VanDerWaalsContact O-CB 3.27Å; Q505-S508 WeakPolarHBondContact O-CB 3.23Å; Q505-S508 PolarHBondContact O-N 2.95Å; Q505-S508 PolarHBondContact O-OG 2.8Å
506	C	89.9	Confident	93.4	Very high	65 Å²	65	51.6 Å²	51.6	44%	0.439	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-67.2	-24.9	178.6	63	0	0	0	0	113.4	S503 L504	S503-C506 PolarHBondContact O-SG 2.87Å; S503-C506 VanDerWaalsContact O-SG 3.34Å; L504-C506 PolarHBondContact O-N 3.09Å; L504-C506 VanDerWaalsContact O-N 3.16Å
507	L	93.9	Very high	93.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-87.9	-5.2	179.1	-59	179.2	0	0	0	113.6	F482 L485 L487 L490 L504 Q505 R509 T510 L511	F482-L507 HydrophobicContact CB-CD1 3.94Å; F482-L507 HydrophobicContact CB-CD2 4.07Å; F482-L507 HydrophobicContact CB-CG 4.01Å; F482-L507 HydrophobicContact CD2-CD1 3.99Å; F482-L507 HydrophobicContact CG-CD1 4.01Å; L485-L507 HydrophobicContact CB-CD2 4.38Å; L487-L507 HydrophobicContact CB-CD1 4.26Å; L487-L507 HydrophobicContact CB-CD2 4Å; L487-L507 HydrophobicContact CD1-CD1 3.96Å; L487-L507 HydrophobicContact CD1-CD2 4.47Å; L487-L507 HydrophobicContact CG-CD1 4.49Å; L487-L507 HydrophobicContact CG-CD2 4.22Å; L490-L507 HydrophobicContact CD2-CD1 3.61Å; L504-L507 HydrophobicContact CD2-CD1 4.3Å; L504-L507 PolarHBondContact O-N 3.48Å; Q505-L507 VanDerWaalsContact C-N 3.26Å; Q505-L507 PolarHBondContact O-N 3.15Å; L507-R509 PolarHBondContact O-N 3.47Å; L507-T510 PolarHBondContact O-N 3.13Å; L507-T510 PolarHBondContact O-OG1 3Å; L507-L511 HydrophobicContact CB-CB 4.26Å; L507-L511 WeakPolarHBondContact O-CB 3.46Å; L507-L511 PolarHBondContact O-N 3.29Å
508	S	93.8	Very high	94	Very high	23 Å²	23	42.9 Å²	42.9	16%	0.161	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-29.8	-173.3	53.2	0	0	0	0	115.6	Q505 F529	Q505-S508 VanDerWaalsContact O-CB 3.27Å; Q505-S508 WeakPolarHBondContact O-CB 3.23Å; Q505-S508 PolarHBondContact O-N 2.95Å; Q505-S508 PolarHBondContact O-OG 2.8Å; S508-F529 WeakPolarHBondContact O-CA 3.45Å
509	R	93.4	Very high	94.2	Very high	218 Å²	218	42.4 Å²	42.4	82%	0.823	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-28.5	179	-62.4	-178.4	-178.7	176.9	0.9	114	L507 S531	L507-R509 PolarHBondContact O-N 3.47Å; R509-S531 WeakPolarHBondContact O-CB 3.48Å; R509-S531 PolarHBondContact O-OG 3.19Å
510	T	95.9	Very high	94.3	Very high	40 Å²	40	41.4 Å²	41.4	25%	0.245	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-28.5	-171	59.1	0	0	0	0	113.5	L487 L507 Q512	L487-T510 CarbonylContact O-C 3.56Å; L487-T510 VanDerWaalsContact O-C 3.23Å; L487-T510 VanDerWaalsContact O-CB 3.24Å; L487-T510 WeakPolarHBondContact O-CB 3.44Å; L487-T510 PolarHBondContact O-OG1 2.91Å; L507-T510 PolarHBondContact O-N 3.13Å; L507-T510 PolarHBondContact O-OG1 3Å; T510-Q512 PolarHBondContact O-N 2.83Å
511	L	97.6	Very high	94.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.			trans	-70.8	128.2	-170.4	-163.6	66.3	0	0	0	112	L487 L490 L507 H513 L514 F529 S531 L532	L487-L511 HydrophobicContact CB-CD1 4.5Å; L487-L511 WeakPolarHBondContact O-CA 3.47Å; L487-L511 PolarHBondContact O-N 3.04Å; L490-L511 HydrophobicContact CB-CD1 3.78Å; L507-L511 HydrophobicContact CB-CB 4.26Å; L507-L511 WeakPolarHBondContact O-CB 3.46Å; L507-L511 PolarHBondContact O-N 3.29Å; L511-H513 WeakPolarHBondContact CD1-O 3.37Å; L511-L514 HydrophobicContact CD2-CB 4.02Å; L511-L514 HydrophobicContact CD2-CD1 4.2Å; L511-L514 HydrophobicContact CD2-CD2 4.24Å; L511-L514 HydrophobicContact CD2-CG 4.38Å; L511-F529 HydrophobicContact CB-CD1 4.4Å; L511-F529 HydrophobicContact CD2-CD1 4.17Å; L511-F529 HydrophobicContact CD2-CE1 4.09Å; L511-S531 CarbonylContact O-C 3.42Å; L511-S531 VanDerWaalsContact O-C 3.25Å; L511-S531 VanDerWaalsContact O-CB 3.31Å; L511-S531 WeakPolarHBondContact O-CB 3.4Å; L511-L532 HydrophobicContact CD2-CD1 4.49Å; L511-L532 HydrophobicContact CG-CD1 4.29Å; L511-L532 PolarHBondContact O-N 2.71Å
512	Q	98.1	Very high	94	Very high	54 Å²	54	48 Å²	48	25%	0.252	23%	0.228	S	C	.	.			trans	-117.7	-28.1	-178.3	-68.9	175.4	66	0	0	112.2	T488 T510 S531 K533 S534	T488-Q512 CarbonylContact O-C 3.56Å; T488-Q512 WeakPolarHBondContact O-CA 3.46Å; T488-Q512 PolarHBondContact O-N 2.81Å; T510-Q512 PolarHBondContact O-N 2.83Å; Q512-S531 WeakPolarHBondContact CG-O 3.16Å; Q512-K533 HydrophobicContact CB-CD 4.45Å; Q512-K533 PolarHBondContact O-N 3.23Å; Q512-S534 PolarHBondContact O-N 3.45Å
513	H	98.5	Very high	93.8	Very high	64 Å²	64	50.4 Å²	50.4	30%	0.296	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.2	178.1	-60.3	-107.2	0	0	0	109.9	T488 H489 L490 L511 S534	T488-H513 PolarHBondContact O-N 3.39Å; H489-H513 WeakPolarHBondContact CA-O 3.45Å; H489-H513 HydrophobicContact CB-CB 4.25Å; H489-H513 AromaticContact CD2-CD2 3.59Å; H489-H513 AromaticContact CD2-CG 3.54Å; H489-H513 AromaticContact CE1-CD2 3.67Å; H489-H513 AromaticContact NE2-CD2 3.33Å; H489-H513 PolarHBondContact NE2-CD2 2.73Å; H489-H513 VanDerWaalsContact NE2-CD2 3.33Å; H489-H513 AromaticContact NE2-CG 3.72Å; H489-H513 AromaticContact NE2-NE2 3.73Å; L490-H513 PolarHBondContact N-O 3.48Å; L511-H513 WeakPolarHBondContact CD1-O 3.37Å; H513-S534 WeakPolarHBondContact CA-O 3.48Å; H513-S534 WeakPolarHBondContact ND1-CB 3.06Å
514	L	98.3	Very high	93.8	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.5	178.9	177.9	55.4	0	0	0	110.7	L490 L504 L511 L516 L526 L532 S534 L535 N536	L490-L514 WeakPolarHBondContact O-CA 3.35Å; L504-L514 HydrophobicContact CD1-CD1 4.29Å; L504-L514 HydrophobicContact CD1-CD2 4.08Å; L504-L514 HydrophobicContact CD2-CD1 4.36Å; L511-L514 HydrophobicContact CD2-CB 4.02Å; L511-L514 HydrophobicContact CD2-CD1 4.2Å; L511-L514 HydrophobicContact CD2-CD2 4.24Å; L511-L514 HydrophobicContact CD2-CG 4.38Å; L514-L516 HydrophobicContact CD1-CD1 4.13Å; L514-L516 HydrophobicContact CD1-CD2 4.38Å; L514-L516 HydrophobicContact CD1-CG 3.93Å; L514-L516 HydrophobicContact CD2-CD1 3.82Å; L514-L516 HydrophobicContact CD2-CG 4.45Å; L514-L516 HydrophobicContact CG-CD1 3.91Å; L514-L516 HydrophobicContact CG-CG 4Å; L514-L526 HydrophobicContact CD2-CD2 3.92Å; L514-L532 HydrophobicContact CB-CD1 3.81Å; L514-S534 PolarHBondContact N-O 3.36Å; L514-L535 HydrophobicContact CB-CD1 3.98Å; L514-L535 HydrophobicContact CD2-CD1 4.02Å; L514-L535 HydrophobicContact CG-CD1 3.96Å; L514-L535 WeakPolarHBondContact O-CA 3.27Å; L514-N536 PolarHBondContact O-N 3.29Å
515	G	98.2	Very high	93.8	Very high	3 Å²	3	53.6 Å²	53.6	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.9	174.3	0	0	0	0	0	112.2	L490 E491 L492 S493	L490-G515 PolarHBondContact O-N 3.11Å; E491-G515 VanDerWaalsContact OE1-CA 3.3Å; E491-G515 WeakPolarHBondContact OE1-CA 3.41Å; L492-G515 CarbonylContact C-O 3.57Å; L492-G515 WeakPolarHBondContact CA-O 3.49Å; L492-G515 WeakPolarHBondContact CB-O 3.25Å; L492-G515 PolarHBondContact N-O 3.48Å; S493-G515 PolarHBondContact N-O 3.47Å
516	L	97.2	Very high	93.9	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	23%	0.234	C	C	.	.			trans	-139.4	29.3	-179.4	-68.8	172.8	0	0	0	111.2	L492 S493 V500 L514 T519 I524 N536 L537 N540	L492-L516 HydrophobicContact CB-CD2 3.95Å; L492-L516 HydrophobicContact CD1-CD2 4.34Å; S493-L516 PolarHBondContact OG-N 2.77Å; V500-L516 HydrophobicContact CG2-CD2 4.06Å; L514-L516 HydrophobicContact CD1-CD1 4.13Å; L514-L516 HydrophobicContact CD1-CD2 4.38Å; L514-L516 HydrophobicContact CD1-CG 3.93Å; L514-L516 HydrophobicContact CD2-CD1 3.82Å; L514-L516 HydrophobicContact CD2-CG 4.45Å; L514-L516 HydrophobicContact CG-CD1 3.91Å; L514-L516 HydrophobicContact CG-CG 4Å; L516-T519 HydrophobicContact CB-CG2 4.14Å; L516-T519 HydrophobicContact CD2-CG2 4.12Å; L516-T519 WeakPolarHBondContact O-CG2 3.33Å; L516-T519 PolarHBondContact O-OG1 2.88Å; L516-I524 HydrophobicContact CD1-CD1 3.39Å; L516-N536 CarbonylContact C-O 3.4Å; L516-N536 WeakPolarHBondContact CA-O 3.04Å; L516-N536 PolarHBondContact N-O 2.83Å; L516-L537 HydrophobicContact CB-CD2 4.09Å; L516-N540 PolarHBondContact O-ND2 3.1Å
517	G	97.3	Very high	94.1	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.021	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	144.7	176.9	0	0	0	0	0	111.8	S493 D494 T519 N536 S538	S493-G517 CarbonylContact C-O 3.48Å; S493-G517 WeakPolarHBondContact CA-O 3.25Å; S493-G517 WeakPolarHBondContact CB-O 3.39Å; S493-G517 PolarHBondContact OG-N 2.68Å; D494-G517 PolarHBondContact N-O 3.24Å; G517-T519 PolarHBondContact O-N 3.02Å; G517-N536 PolarHBondContact N-O 3.14Å; G517-S538 CarbonylContact C-O 3.59Å; G517-S538 WeakPolarHBondContact CA-O 3.46Å
518	N	96.8	Very high	94	Very high	55 Å²	55	53 Å²	53	29%	0.294	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	36.2	-178.7	-169.4	27.3	0	0	0	113.8	D494 S538 R539	D494-N518 WeakPolarHBondContact OD1-CB 3.16Å; D494-N518 PolarHBondContact OD1-ND2 3.43Å; N518-S538 PolarHBondContact N-O 3.42Å; N518-R539 WeakPolarHBondContact CA-O 3.28Å; N518-R539 HydrophobicContact CB-CB 3.81Å
519	T	95.3	Very high	94.1	Very high	1 Å²	1	52 Å²	52	1%	0.006	24%	0.244	C	C	.	.	S	Bend	trans	-97.2	-10.5	176.1	54.3	0	0	0	0	113	N495 R497 I498 L516 G517 T521 N540	N495-T519 WeakPolarHBondContact O-CA 3.07Å; R497-T519 WeakPolarHBondContact CA-O 3.36Å; R497-T519 PolarHBondContact N-O 3.4Å; I498-T519 HydrophobicContact CG2-CG2 3.68Å; L516-T519 HydrophobicContact CB-CG2 4.14Å; L516-T519 HydrophobicContact CD2-CG2 4.12Å; L516-T519 WeakPolarHBondContact O-CG2 3.33Å; L516-T519 PolarHBondContact O-OG1 2.88Å; G517-T519 PolarHBondContact O-N 3.02Å; T519-T521 PolarHBondContact O-N 3.03Å; T519-T521 WeakPolarHBondContact OG1-CB 3.28Å; T519-T521 VanDerWaalsContact OG1-CG2 3.28Å; T519-T521 WeakPolarHBondContact OG1-CG2 3.22Å; T519-T521 PolarHBondContact OG1-N 2.73Å; T519-N540 PolarHBondContact N-OD1 3.45Å; T519-N540 PolarHBondContact OG1-OD1 2.83Å
520	Q	91.8	Very high	94	Very high	89 Å²	89	49.6 Å²	49.6	42%	0.416	24%	0.241	S	C	.	.			trans	66	10.7	-168.1	-47.8	-175.7	8.7	0	0	114.2	P496 N540	P496-Q520 HydrophobicContact CB-CG 4.28Å; Q520-N540 PolarHBondContact N-OD1 3.42Å
521	T	88.9	Confident	94	Very high	29 Å²	29	49.9 Å²	49.9	18%	0.178	25%	0.245	C	C	.	.			trans	-61.9	153.7	175.2	-164	0	0	0	0	112.1	T519 L537	T519-T521 PolarHBondContact O-N 3.03Å; T519-T521 WeakPolarHBondContact OG1-CB 3.28Å; T519-T521 VanDerWaalsContact OG1-CG2 3.28Å; T519-T521 WeakPolarHBondContact OG1-CG2 3.22Å; T519-T521 PolarHBondContact OG1-N 2.73Å; T521-L537 HydrophobicContact CG2-CD2 3.74Å
522	R	85.9	Confident	94	Very high	169 Å²	169	50 Å²	50	64%	0.638	25%	0.246	S	C	*	.			trans	-136.9	-42.2	-171.7	-64.3	-173.5	-173.5	177.8	1	115.2	L542	R522-L542 WeakPolarHBondContact O-CD2 3.3Å
523	D	83.9	Confident	93.9	Very high	133 Å²	133	52 Å²	52	71%	0.711	25%	0.254	S	S	*	.			trans	-142.2	97.8	-178.8	-161.7	11	0	0	0	107.6
524	I	90.4	Very high	93.9	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	25%	0.249	C	C	.	.			trans	-112.8	121.8	-177.9	-173.6	173.7	0	0	0	109.4	L504 L516 L526 L537 P546 S548	L504-I524 HydrophobicContact CD1-CD1 4.32Å; L516-I524 HydrophobicContact CD1-CD1 3.39Å; I524-L526 HydrophobicContact CD1-CD2 3.91Å; I524-L526 HydrophobicContact CD1-CG 4.34Å; I524-L526 HydrophobicContact CG1-CD2 4.03Å; I524-L526 HydrophobicContact CG1-CG 4.13Å; I524-L526 HydrophobicContact CG2-CD1 4.26Å; I524-L526 HydrophobicContact CG2-CG 4.3Å; I524-L526 PolarHBondContact O-N 3.31Å; I524-L537 HydrophobicContact CG2-CD2 4.48Å; I524-P546 HydrophobicContact CG2-CG 4.18Å; I524-S548 PolarHBondContact O-OG 3.49Å
525	D	93.3	Very high	93.9	Very high	63 Å²	63	50 Å²	50	34%	0.337	25%	0.248	S	C	.	.			trans	-82	107.9	173.7	-175.1	29.4	0	0	0	110.7	Q501 S527 H528	Q501-D525 PolarHBondContact NE2-O 3.26Å; Q501-D525 VanDerWaalsContact NE2-O 3.09Å; D525-S527 WeakPolarHBondContact OD1-CB 3.35Å; D525-S527 PolarHBondContact OD1-N 3.05Å; D525-S527 PolarHBondContact OD1-OG 3.03Å; D525-H528 IonicContact OD2-ND1 2.7Å
526	L	94.1	Very high	93.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.			trans	-108.3	11.8	174	-61.3	175.6	0	0	0	112.1	L514 I524 H528 F529 L532 L535 S548 L549 I552	L514-L526 HydrophobicContact CD2-CD2 3.92Å; I524-L526 HydrophobicContact CD1-CD2 3.91Å; I524-L526 HydrophobicContact CD1-CG 4.34Å; I524-L526 HydrophobicContact CG1-CD2 4.03Å; I524-L526 HydrophobicContact CG1-CG 4.13Å; I524-L526 HydrophobicContact CG2-CD1 4.26Å; I524-L526 HydrophobicContact CG2-CG 4.3Å; I524-L526 PolarHBondContact O-N 3.31Å; L526-H528 PolarHBondContact O-N 3.24Å; L526-F529 HydrophobicContact CB-CB 4.48Å; L526-F529 HydrophobicContact CB-CD2 4.21Å; L526-F529 HydrophobicContact CD2-CD1 4.46Å; L526-F529 HydrophobicContact CD2-CD2 3.9Å; L526-F529 HydrophobicContact CD2-CE2 4.02Å; L526-F529 HydrophobicContact CD2-CG 4.14Å; L526-F529 HydrophobicContact CD2-CZ 4.38Å; L526-F529 WeakPolarHBondContact O-CB 3.36Å; L526-F529 PolarHBondContact O-N 2.78Å; L526-L532 HydrophobicContact CD1-CD2 3.99Å; L526-L535 HydrophobicContact CD1-CD1 3.98Å; L526-L535 HydrophobicContact CD1-CD2 3.57Å; L526-L535 HydrophobicContact CD1-CG 4.43Å; L526-S548 VanDerWaalsContact N-CB 3.27Å; L526-S548 PolarHBondContact N-OG 2.91Å; L526-L549 HydrophobicContact CD1-CD2 4.15Å; L526-I552 VanDerWaalsContact O-CG2 3.26Å; L526-I552 WeakPolarHBondContact O-CG2 3.38Å
527	S	93.3	Very high	93.9	Very high	27 Å²	27	51.3 Å²	51.3	19%	0.189	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24	-172.7	-54.1	0	0	0	0	113.6	D525	D525-S527 WeakPolarHBondContact OD1-CB 3.35Å; D525-S527 PolarHBondContact OD1-N 3.05Å; D525-S527 PolarHBondContact OD1-OG 3.03Å
528	H	92.8	Very high	93.9	Very high	131 Å²	131	51.9 Å²	51.9	61%	0.606	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-10.9	176.2	-61.7	97.9	0	0	0	114.3	D525 L526 Q530	D525-H528 IonicContact OD2-ND1 2.7Å; L526-H528 PolarHBondContact O-N 3.24Å; H528-Q530 VanDerWaalsContact C-N 3.3Å; H528-Q530 PolarHBondContact O-N 2.83Å
529	F	95.3	Very high	93.9	Very high	3 Å²	3	56.4 Å²	56.4	1%	0.013	27%	0.27	C	S	.	.			trans	-88.7	61.1	-171	-67.8	-109.5	0	0	0	111.7	L504 S508 L511 L526 S531 L532	L504-F529 HydrophobicContact CB-CE1 4.15Å; L504-F529 HydrophobicContact CB-CZ 3.77Å; L504-F529 VanDerWaalsContact O-CZ 3.31Å; L504-F529 WeakPolarHBondContact O-CZ 3.1Å; S508-F529 WeakPolarHBondContact O-CA 3.45Å; L511-F529 HydrophobicContact CB-CD1 4.4Å; L511-F529 HydrophobicContact CD2-CD1 4.17Å; L511-F529 HydrophobicContact CD2-CE1 4.09Å; L526-F529 HydrophobicContact CB-CB 4.48Å; L526-F529 HydrophobicContact CB-CD2 4.21Å; L526-F529 HydrophobicContact CD2-CD1 4.46Å; L526-F529 HydrophobicContact CD2-CD2 3.9Å; L526-F529 HydrophobicContact CD2-CE2 4.02Å; L526-F529 HydrophobicContact CD2-CG 4.14Å; L526-F529 HydrophobicContact CD2-CZ 4.38Å; L526-F529 WeakPolarHBondContact O-CB 3.36Å; L526-F529 PolarHBondContact O-N 2.78Å; F529-S531 PolarHBondContact O-N 3.18Å; F529-S531 VanDerWaalsContact O-N 3.14Å; F529-L532 HydrophobicContact CB-CB 4.08Å; F529-L532 VanDerWaalsContact O-CB 3.26Å; F529-L532 WeakPolarHBondContact O-CB 3.11Å; F529-L532 PolarHBondContact O-N 3.48Å
530	Q	91.2	Very high	94	Very high	167 Å²	167	56.7 Å²	56.7	78%	0.78	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.3	-173.2	-63.9	-179.1	-5.5	0	0	114	H528	H528-Q530 VanDerWaalsContact C-N 3.3Å; H528-Q530 PolarHBondContact O-N 2.83Å
531	S	95.5	Very high	94.1	Very high	47 Å²	47	54.5 Å²	54.5	33%	0.329	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.5	176.6	-65.4	0	0	0	0	114.1	R509 L511 Q512 F529 K533	R509-S531 WeakPolarHBondContact O-CB 3.48Å; R509-S531 PolarHBondContact O-OG 3.19Å; L511-S531 CarbonylContact O-C 3.42Å; L511-S531 VanDerWaalsContact O-C 3.25Å; L511-S531 VanDerWaalsContact O-CB 3.31Å; L511-S531 WeakPolarHBondContact O-CB 3.4Å; Q512-S531 WeakPolarHBondContact CG-O 3.16Å; F529-S531 PolarHBondContact O-N 3.18Å; F529-S531 VanDerWaalsContact O-N 3.14Å; S531-K533 PolarHBondContact O-N 3.48Å
532	L	97.6	Very high	94.4	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.258	C	S	.	.			trans	-74.4	117.8	-169.4	-166.5	72.5	0	0	0	112.6	L511 L514 L526 F529 L535 I552 L554	L511-L532 HydrophobicContact CD2-CD1 4.49Å; L511-L532 HydrophobicContact CG-CD1 4.29Å; L511-L532 PolarHBondContact O-N 2.71Å; L514-L532 HydrophobicContact CB-CD1 3.81Å; L526-L532 HydrophobicContact CD1-CD2 3.99Å; F529-L532 HydrophobicContact CB-CB 4.08Å; F529-L532 VanDerWaalsContact O-CB 3.26Å; F529-L532 WeakPolarHBondContact O-CB 3.11Å; F529-L532 PolarHBondContact O-N 3.48Å; L532-L535 HydrophobicContact CD2-CB 4.37Å; L532-L535 HydrophobicContact CD2-CD1 4.45Å; L532-I552 HydrophobicContact CD2-CD1 4.02Å; L532-L554 HydrophobicContact CD2-CD1 4.23Å; L532-L554 HydrophobicContact CG-CD1 4.05Å
533	K	97.4	Very high	94.8	Very high	97 Å²	97	52.1 Å²	52.1	42%	0.422	26%	0.255	S	S	.	.			trans	-105	-30.4	-178.3	-64.8	167.8	-175	171	0	112.9	Q512 S531 L554 K555 V556	Q512-K533 HydrophobicContact CB-CD 4.45Å; Q512-K533 PolarHBondContact O-N 3.23Å; S531-K533 PolarHBondContact O-N 3.48Å; K533-L554 VanDerWaalsContact C-CD1 3.49Å; K533-K555 WeakPolarHBondContact O-CA 3.46Å; K533-K555 PolarHBondContact O-N 3.31Å; K533-V556 PolarHBondContact O-N 2.74Å
534	S	98.3	Very high	95.3	Very high	27 Å²	27	51.9 Å²	51.9	19%	0.189	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.4	-176.2	-171.5	0	0	0	0	111.3	Q512 H513 L514 V556	Q512-S534 PolarHBondContact O-N 3.45Å; H513-S534 WeakPolarHBondContact CA-O 3.48Å; H513-S534 WeakPolarHBondContact ND1-CB 3.06Å; L514-S534 PolarHBondContact N-O 3.36Å; S534-V556 WeakPolarHBondContact CA-O 3.31Å
535	L	98.1	Very high	95.4	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.7	177.8	-179.7	64.8	0	0	0	110.6	L514 L526 L532 L537 L549 L554 V556 L557 D558	L514-L535 HydrophobicContact CB-CD1 3.98Å; L514-L535 HydrophobicContact CD2-CD1 4.02Å; L514-L535 HydrophobicContact CG-CD1 3.96Å; L514-L535 WeakPolarHBondContact O-CA 3.27Å; L526-L535 HydrophobicContact CD1-CD1 3.98Å; L526-L535 HydrophobicContact CD1-CD2 3.57Å; L526-L535 HydrophobicContact CD1-CG 4.43Å; L532-L535 HydrophobicContact CD2-CB 4.37Å; L532-L535 HydrophobicContact CD2-CD1 4.45Å; L535-L537 HydrophobicContact CD1-CG 4.28Å; L535-L537 HydrophobicContact CD2-CD1 3.71Å; L535-L537 HydrophobicContact CD2-CG 4.06Å; L535-L537 HydrophobicContact CG-CD1 4.19Å; L535-L537 HydrophobicContact CG-CG 3.97Å; L535-L549 HydrophobicContact CD2-CD1 4.4Å; L535-L549 HydrophobicContact CD2-CD2 3.35Å; L535-L554 HydrophobicContact CB-CD1 3.85Å; L535-L554 HydrophobicContact CB-CD2 3.94Å; L535-V556 PolarHBondContact N-O 2.96Å; L535-L557 HydrophobicContact CB-CD1 4.39Å; L535-L557 HydrophobicContact CD2-CD1 4.29Å; L535-L557 HydrophobicContact CG-CD1 4.48Å; L535-L557 WeakPolarHBondContact O-CA 3.45Å; L535-D558 PolarHBondContact O-N 2.97Å
536	N	98.3	Very high	95.5	Very high	30 Å²	30	49.4 Å²	49.4	16%	0.16	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.6	171.7	170.4	20.5	0	0	0	109.8	S493 L514 L516 G517 S538 D558	S493-N536 PolarHBondContact OG-ND2 3.3Å; L514-N536 PolarHBondContact O-N 3.29Å; L516-N536 CarbonylContact C-O 3.4Å; L516-N536 WeakPolarHBondContact CA-O 3.04Å; L516-N536 PolarHBondContact N-O 2.83Å; G517-N536 PolarHBondContact N-O 3.14Å; N536-S538 WeakPolarHBondContact OD1-CB 3.34Å; N536-S538 PolarHBondContact OD1-N 2.92Å; N536-S538 PolarHBondContact OD1-OG 3.49Å; N536-D558 HydrophobicContact CB-CB 4.36Å
537	L	97.1	Very high	95.3	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	27%	0.27	C	S	.	.			trans	-121.5	20	174.4	-71.4	171.9	0	0	0	111.4	L516 T521 I524 L535 N540 L542 P546 L549 D558 V559 N562	L516-L537 HydrophobicContact CB-CD2 4.09Å; T521-L537 HydrophobicContact CG2-CD2 3.74Å; I524-L537 HydrophobicContact CG2-CD2 4.48Å; L535-L537 HydrophobicContact CD1-CG 4.28Å; L535-L537 HydrophobicContact CD2-CD1 3.71Å; L535-L537 HydrophobicContact CD2-CG 4.06Å; L535-L537 HydrophobicContact CG-CD1 4.19Å; L535-L537 HydrophobicContact CG-CG 3.97Å; L537-N540 VanDerWaalsContact C-ND2 3.3Å; L537-N540 PolarHBondContact O-ND2 2.97Å; L537-L542 HydrophobicContact CB-CD1 3.91Å; L537-L542 HydrophobicContact CD1-CD1 4.13Å; L537-P546 HydrophobicContact CD1-CG 4.29Å; L537-L549 HydrophobicContact CD1-CD1 4.4Å; L537-D558 CarbonylContact C-O 3.52Å; L537-D558 PolarHBondContact N-O 3.49Å; L537-V559 HydrophobicContact CB-CG1 4.19Å; L537-N562 PolarHBondContact O-ND2 2.75Å
538	S	97.7	Very high	95.3	Very high	13 Å²	13	56.1 Å²	56.1	9%	0.091	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	160.1	179.6	62.1	0	0	0	0	113.1	G517 N518 N536 N540 D558 R560	G517-S538 CarbonylContact C-O 3.59Å; G517-S538 WeakPolarHBondContact CA-O 3.46Å; N518-S538 PolarHBondContact N-O 3.42Å; N536-S538 WeakPolarHBondContact OD1-CB 3.34Å; N536-S538 PolarHBondContact OD1-N 2.92Å; N536-S538 PolarHBondContact OD1-OG 3.49Å; S538-N540 PolarHBondContact O-N 2.85Å; S538-N540 PolarHBondContact O-ND2 3.05Å; S538-D558 PolarHBondContact N-O 2.8Å; S538-R560 CarbonylContact C-O 3.23Å; S538-R560 WeakPolarHBondContact CA-O 3.27Å; S538-R560 WeakPolarHBondContact CB-O 3.41Å
539	R	97	Very high	95.3	Very high	151 Å²	151	50 Å²	50	57%	0.57	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	23.1	173	-64.2	177.4	176.9	-129.9	-23.9	114.9	N518 R560 D561	N518-R539 WeakPolarHBondContact CA-O 3.28Å; N518-R539 HydrophobicContact CB-CB 3.81Å; R539-R560 PolarHBondContact N-O 3.14Å; R539-D561 WeakPolarHBondContact CA-O 3.46Å; R539-D561 HydrophobicContact CB-CB 4.34Å; R539-D561 HydrophobicContact CG-CB 3.51Å; R539-D561 WeakPolarHBondContact CG-OD2 3.14Å; R539-D561 IonicContact CZ-OD2 3.08Å; R539-D561 IonicContact NE-OD2 3.2Å; R539-D561 PolarHBondContact NE-OD2 2.92Å; R539-D561 IonicContact NH2-OD2 2.64Å; R539-D561 PolarHBondContact NH2-OD2 2.87Å
540	N	95.9	Very high	95.1	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.032	24%	0.241	C	C	.	.	S	Bend	trans	-96.9	-162.8	175.3	-74.4	-51.8	0	0	0	110.4	L516 T519 Q520 L537 S538 L542 N562	L516-N540 PolarHBondContact O-ND2 3.1Å; T519-N540 PolarHBondContact N-OD1 3.45Å; T519-N540 PolarHBondContact OG1-OD1 2.83Å; Q520-N540 PolarHBondContact N-OD1 3.42Å; L537-N540 VanDerWaalsContact C-ND2 3.3Å; L537-N540 PolarHBondContact O-ND2 2.97Å; S538-N540 PolarHBondContact O-N 2.85Å; S538-N540 PolarHBondContact O-ND2 3.05Å; N540-L542 HydrophobicContact CB-CG 4.26Å; N540-N562 WeakPolarHBondContact CA-OD1 3.31Å; N540-N562 VanDerWaalsContact CB-OD1 3.32Å; N540-N562 WeakPolarHBondContact CB-OD1 3.48Å; N540-N562 PolarHBondContact N-OD1 2.9Å; N540-N562 PolarHBondContact O-OD1 2.91Å
541	S	94.1	Very high	95	Very high	43 Å²	43	49.8 Å²	49.8	30%	0.301	23%	0.232	S	C	.	.			trans	-123.1	44.1	177.2	-64.8	0	0	0	0	111.2	Y543 N562	S541-Y543 WeakPolarHBondContact O-CD2 3.48Å; S541-Y543 PolarHBondContact O-N 2.81Å; S541-N562 PolarHBondContact N-OD1 3.36Å
542	L	94.9	Very high	94.9	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	22%	0.218	C	C	.	.			trans	-74.1	120	177.4	-61.2	173.7	0	0	0	110.5	R522 L537 N540 N562 R563 L564	R522-L542 WeakPolarHBondContact O-CD2 3.3Å; L537-L542 HydrophobicContact CB-CD1 3.91Å; L537-L542 HydrophobicContact CD1-CD1 4.13Å; N540-L542 HydrophobicContact CB-CG 4.26Å; L542-N562 HydrophobicContact CB-CB 4.37Å; L542-N562 VanDerWaalsContact CB-OD1 3.26Å; L542-N562 WeakPolarHBondContact CB-OD1 3.46Å; L542-N562 WeakPolarHBondContact CG-OD1 3.41Å; L542-N562 PolarHBondContact N-OD1 3.12Å; L542-R563 CarbonylContact O-C 3.37Å; L542-R563 VanDerWaalsContact O-CA 3.24Å; L542-R563 WeakPolarHBondContact O-CA 3.37Å; L542-R563 WeakPolarHBondContact O-CB 3.34Å; L542-R563 PolarHBondContact O-N 3.28Å; L542-L564 HydrophobicContact CB-CD2 4.21Å; L542-L564 PolarHBondContact O-N 3.34Å; L542-L564 VanDerWaalsContact O-N 3.13Å
543	Y	94.4	Very high	94.7	Very high	146 Å²	146	51.8 Å²	51.8	57%	0.573	24%	0.239	S	C	*	.	S	Bend	trans	-89.2	-26.8	168.9	-64.4	-86.6	0	0	0	112.1	S541 R563	S541-Y543 WeakPolarHBondContact O-CD2 3.48Å; S541-Y543 PolarHBondContact O-N 2.81Å; Y543-R563 HydrophobicContact CD1-CB 3.87Å; Y543-R563 HydrophobicContact CE1-CB 3.86Å; Y543-R563 HydrophobicContact CE1-CG 4.44Å; Y543-R563 HydrophobicContact CG-CB 4.35Å
544	H	94	Very high	94.6	Very high	127 Å²	127	47.4 Å²	47.4	59%	0.588	22%	0.22	S	C	*	.	S	Bend	trans	-138.2	162.1	174.8	-54.9	-57.2	0	0	0	108.9
545	L	94.4	Very high	94.5	Very high	13 Å²	13	48.5 Å²	48.5	7%	0.068	22%	0.222	C	C	.	.			trans	-81.5	143.7	175.1	-61.7	176.5	0	0	0	110.7	K547 L549 Y550 V559 L564 I567 L575	L545-K547 PolarHBondContact O-N 3.14Å; L545-L549 HydrophobicContact CB-CD1 4.41Å; L545-Y550 WeakPolarHBondContact CB-OH 3.27Å; L545-V559 HydrophobicContact CD2-CB 4.34Å; L545-V559 HydrophobicContact CD2-CG1 3.79Å; L545-V559 HydrophobicContact CD2-CG2 4.37Å; L545-L564 HydrophobicContact CD2-CD1 3.88Å; L545-L564 HydrophobicContact CD2-CD2 4.14Å; L545-L564 HydrophobicContact CG-CD1 4.49Å; L545-L564 HydrophobicContact CG-CD2 4.37Å; L545-I567 HydrophobicContact CD1-CD1 4.4Å; L545-I567 HydrophobicContact CD1-CG1 4.45Å; L545-I567 HydrophobicContact CD1-CG2 4.41Å; L545-L575 HydrophobicContact CD1-CD1 3.72Å
546	P	93.4	Very high	94.5	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.026	23%	0.234	C	C	.	.			trans	-59	134.4	175.7	-25.1	34.1	0	0	0	112.4	I524 L537 S548 L549	I524-P546 HydrophobicContact CG2-CG 4.18Å; L537-P546 HydrophobicContact CD1-CG 4.29Å; P546-S548 PolarHBondContact O-N 3.38Å; P546-S548 VanDerWaalsContact O-N 3.12Å; P546-L549 HydrophobicContact CB-CG 4.31Å; P546-L549 WeakPolarHBondContact O-CB 3.25Å; P546-L549 WeakPolarHBondContact O-CG 3.33Å; P546-L549 PolarHBondContact O-N 3.28Å
547	K	91.9	Very high	94.5	Very high	163 Å²	163	49 Å²	49	71%	0.709	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-63.7	-22.2	-174.9	-65.1	175.7	-177	170	0	113.7	L545 L549 Y550	L545-K547 PolarHBondContact O-N 3.14Å; K547-L549 PolarHBondContact O-N 2.96Å; K547-Y550 PolarHBondContact O-N 2.83Å
548	S	92.4	Very high	94.5	Very high	5 Å²	5	49.6 Å²	49.6	4%	0.035	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-59.6	-32.3	173.9	52.9	0	0	0	0	112.7	I524 L526 P546 Y550 Q551 I552	I524-S548 PolarHBondContact O-OG 3.49Å; L526-S548 VanDerWaalsContact N-CB 3.27Å; L526-S548 PolarHBondContact N-OG 2.91Å; P546-S548 PolarHBondContact O-N 3.38Å; P546-S548 VanDerWaalsContact O-N 3.12Å; S548-Y550 PolarHBondContact O-N 3.01Å; S548-Q551 PolarHBondContact O-N 3.34Å; S548-I552 PolarHBondContact O-N 2.91Å
549	L	92.4	Very high	94.5	Very high	2 Å²	2	49 Å²	49	1%	0.01	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-63.4	-25.1	-178.4	-57	-168.5	0	0	0	113.5	L526 L535 L537 L545 P546 K547 Q551 I552 L557	L526-L549 HydrophobicContact CD1-CD2 4.15Å; L535-L549 HydrophobicContact CD2-CD1 4.4Å; L535-L549 HydrophobicContact CD2-CD2 3.35Å; L537-L549 HydrophobicContact CD1-CD1 4.4Å; L545-L549 HydrophobicContact CB-CD1 4.41Å; P546-L549 HydrophobicContact CB-CG 4.31Å; P546-L549 WeakPolarHBondContact O-CB 3.25Å; P546-L549 WeakPolarHBondContact O-CG 3.33Å; P546-L549 PolarHBondContact O-N 3.28Å; K547-L549 PolarHBondContact O-N 2.96Å; L549-Q551 VanDerWaalsContact C-N 3.3Å; L549-I552 HydrophobicContact CD2-CD1 4.11Å; L549-L557 HydrophobicContact CD1-CD1 4.05Å; L549-L557 HydrophobicContact CD1-CD2 4.22Å
550	Y	90.6	Very high	94.5	Very high	37 Å²	37	46 Å²	46	15%	0.145	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-77.1	-19.2	178.3	-52.2	-43.5	0	0	0	112.8	L545 K547 S548 E571 L575 K578	L545-Y550 WeakPolarHBondContact CB-OH 3.27Å; K547-Y550 PolarHBondContact O-N 2.83Å; S548-Y550 PolarHBondContact O-N 3.01Å; Y550-E571 HydrophobicContact CD2-CG 4.34Å; Y550-E571 HydrophobicContact CE1-CB 3.79Å; Y550-E571 HydrophobicContact CE1-CG 4.18Å; Y550-E571 HydrophobicContact CE2-CB 4.18Å; Y550-E571 VanDerWaalsContact CE2-CD 3.46Å; Y550-E571 HydrophobicContact CE2-CG 3.64Å; Y550-E571 WeakPolarHBondContact OH-CB 3.18Å; Y550-E571 VanDerWaalsContact OH-CD 3.26Å; Y550-E571 PolarHBondContact OH-OE2 3.06Å; Y550-L575 HydrophobicContact CD1-CD2 4.02Å; Y550-L575 HydrophobicContact CD1-CG 4.13Å; Y550-L575 HydrophobicContact CE1-CD1 4.02Å; Y550-L575 HydrophobicContact CE1-CD2 4.02Å; Y550-L575 HydrophobicContact CE1-CG 3.88Å; Y550-K578 PolarHBondContact O-NZ 3.37Å
551	Q	90	Very high	94.6	Very high	129 Å²	129	48.5 Å²	48.5	60%	0.603	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-49.7	-177.4	-54.1	-173.6	35.3	0	0	111.3	S548 L549 K578	S548-Q551 PolarHBondContact O-N 3.34Å; L549-Q551 VanDerWaalsContact C-N 3.3Å; Q551-K578 PolarHBondContact O-NZ 3.49Å
552	I	92.9	Very high	94.7	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	21%	0.212	C	C	.	.	S	Bend	trans	-66.8	160.4	179.5	60.8	172.4	0	0	0	113.8	L526 L532 S548 L549 L554 K578	L526-I552 VanDerWaalsContact O-CG2 3.26Å; L526-I552 WeakPolarHBondContact O-CG2 3.38Å; L532-I552 HydrophobicContact CD2-CD1 4.02Å; S548-I552 PolarHBondContact O-N 2.91Å; L549-I552 HydrophobicContact CD2-CD1 4.11Å; I552-L554 HydrophobicContact CD1-CB 4.16Å; I552-L554 HydrophobicContact CD1-CD1 4.2Å; I552-L554 HydrophobicContact CG1-CB 4.29Å; I552-L554 PolarHBondContact O-N 2.64Å; I552-K578 WeakPolarHBondContact O-CD 3.35Å; I552-K578 WeakPolarHBondContact O-CE 3.09Å; I552-K578 PolarHBondContact O-NZ 3.32Å
553	D	92.9	Very high	94.7	Very high	84 Å²	84	53.2 Å²	53.2	45%	0.449	24%	0.238	S	C	.	.			trans	-98.5	55	179.2	-169.5	32.6	0	0	0	113.1	K555	D553-K555 WeakPolarHBondContact O-CE 3.24Å; D553-K555 IonicContact OD1-NZ 2.77Å; D553-K555 PolarHBondContact OD1-NZ 2.72Å; D553-K555 VanDerWaalsContact OD2-CE 3.3Å; D553-K555 WeakPolarHBondContact OD2-CE 3.36Å; D553-K555 IonicContact OD2-NZ 2.75Å; D553-K555 PolarHBondContact OD2-NZ 3.29Å
554	L	95.8	Very high	94.8	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	21%	0.211	C	C	.	.			trans	-64.3	142.9	-178	-162.7	73	0	0	0	111.9	L532 K533 L535 I552 L557 K578 L579	L532-L554 HydrophobicContact CD2-CD1 4.23Å; L532-L554 HydrophobicContact CG-CD1 4.05Å; K533-L554 VanDerWaalsContact C-CD1 3.49Å; L535-L554 HydrophobicContact CB-CD1 3.85Å; L535-L554 HydrophobicContact CB-CD2 3.94Å; I552-L554 HydrophobicContact CD1-CB 4.16Å; I552-L554 HydrophobicContact CD1-CD1 4.2Å; I552-L554 HydrophobicContact CG1-CB 4.29Å; I552-L554 PolarHBondContact O-N 2.64Å; L554-L557 HydrophobicContact CD2-CB 3.83Å; L554-L557 HydrophobicContact CD2-CD1 3.88Å; L554-L557 HydrophobicContact CD2-CG 4.3Å; L554-K578 CarbonylContact O-C 3.39Å; L554-L579 HydrophobicContact CB-CD2 4.24Å; L554-L579 HydrophobicContact CD2-CD2 4.2Å; L554-L579 HydrophobicContact CG-CD2 4.2Å
555	K	96.5	Very high	94.8	Very high	50 Å²	50	42.5 Å²	42.5	22%	0.217	20%	0.198	C	C	.	.	S	Bend	trans	-110.9	-33.5	178.9	-53.6	-54	171.8	-164.4	0	113.5	K533 D553 K578 Q580 T581	K533-K555 WeakPolarHBondContact O-CA 3.46Å; K533-K555 PolarHBondContact O-N 3.31Å; D553-K555 WeakPolarHBondContact O-CE 3.24Å; D553-K555 IonicContact OD1-NZ 2.77Å; D553-K555 PolarHBondContact OD1-NZ 2.72Å; D553-K555 VanDerWaalsContact OD2-CE 3.3Å; D553-K555 WeakPolarHBondContact OD2-CE 3.36Å; D553-K555 IonicContact OD2-NZ 2.75Å; D553-K555 PolarHBondContact OD2-NZ 3.29Å; K555-K578 WeakPolarHBondContact CD-O 3.19Å; K555-K578 PolarHBondContact NZ-O 3.07Å; K555-Q580 HydrophobicContact CB-CG 4.39Å; K555-Q580 HydrophobicContact CD-CG 4.37Å; K555-Q580 PolarHBondContact O-N 3.45Å; K555-T581 PolarHBondContact O-N 2.87Å
556	V	98	Very high	94.8	Very high	42 Å²	42	43 Å²	43	26%	0.255	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.9	178.9	-176.2	0	0	0	0	109.7	K533 S534 L535 T581 F583	K533-V556 PolarHBondContact O-N 2.74Å; S534-V556 WeakPolarHBondContact CA-O 3.31Å; L535-V556 PolarHBondContact N-O 2.96Å; V556-T581 WeakPolarHBondContact CA-O 3.21Å; V556-F583 HydrophobicContact CG1-CE2 3.99Å
557	L	97.8	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	117.7	177.2	179.9	61	0	0	0	110.7	L535 L549 L554 V559 L579 T581 I582 F583	L535-L557 HydrophobicContact CB-CD1 4.39Å; L535-L557 HydrophobicContact CD2-CD1 4.29Å; L535-L557 HydrophobicContact CG-CD1 4.48Å; L535-L557 WeakPolarHBondContact O-CA 3.45Å; L549-L557 HydrophobicContact CD1-CD1 4.05Å; L549-L557 HydrophobicContact CD1-CD2 4.22Å; L554-L557 HydrophobicContact CD2-CB 3.83Å; L554-L557 HydrophobicContact CD2-CD1 3.88Å; L554-L557 HydrophobicContact CD2-CG 4.3Å; L557-V559 HydrophobicContact CD1-CG1 3.75Å; L557-V559 HydrophobicContact CD2-CG1 4.3Å; L557-V559 HydrophobicContact CG-CG1 3.88Å; L557-L579 HydrophobicContact CB-CD1 4.11Å; L557-L579 HydrophobicContact CB-CD2 3.84Å; L557-L579 HydrophobicContact CD2-CD1 4.27Å; L557-T581 PolarHBondContact N-O 2.97Å; L557-T581 VanDerWaalsContact N-O 3.14Å; L557-I582 HydrophobicContact CB-CG1 4.33Å; L557-I582 HydrophobicContact CD2-CD1 4.39Å; L557-I582 WeakPolarHBondContact O-CA 3.25Å; L557-F583 PolarHBondContact O-N 3.36Å
558	D	98.1	Very high	95	Very high	13 Å²	13	37.9 Å²	37.9	7%	0.07	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.3	170.3	-172.5	-3.3	0	0	0	110.2	L535 N536 L537 S538 R560 F583	L535-D558 PolarHBondContact O-N 2.97Å; N536-D558 HydrophobicContact CB-CB 4.36Å; L537-D558 CarbonylContact C-O 3.52Å; L537-D558 PolarHBondContact N-O 3.49Å; S538-D558 PolarHBondContact N-O 2.8Å; D558-R560 WeakPolarHBondContact OD1-CB 3.36Å; D558-R560 VanDerWaalsContact OD1-CG 3.31Å; D558-R560 WeakPolarHBondContact OD1-CG 3.46Å; D558-R560 IonicContact OD1-CZ 2.72Å; D558-R560 PolarHBondContact OD1-N 2.73Å; D558-R560 VanDerWaalsContact OD1-N 3.09Å; D558-R560 IonicContact OD1-NE 3.44Å; D558-R560 PolarHBondContact OD1-NE 3.22Å; D558-R560 IonicContact OD1-NH2 3.51Å; D558-R560 IonicContact OD2-CZ 2.69Å; D558-R560 IonicContact OD2-NE 3.32Å; D558-R560 PolarHBondContact OD2-NE 3.35Å; D558-R560 IonicContact OD2-NH2 2.71Å; D558-R560 PolarHBondContact OD2-NH2 3.07Å; D558-F583 HydrophobicContact CB-CB 4.25Å; D558-F583 HydrophobicContact CB-CD2 3.91Å; D558-F583 HydrophobicContact CB-CG 4.3Å; D558-F583 WeakPolarHBondContact OD1-CB 3.38Å
559	V	97.1	Very high	95	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.			trans	-129.7	26.7	177.5	-66.9	0	0	0	0	111.2	L537 L545 L557 N562 L564 F583 L584 N587	L537-V559 HydrophobicContact CB-CG1 4.19Å; L545-V559 HydrophobicContact CD2-CB 4.34Å; L545-V559 HydrophobicContact CD2-CG1 3.79Å; L545-V559 HydrophobicContact CD2-CG2 4.37Å; L557-V559 HydrophobicContact CD1-CG1 3.75Å; L557-V559 HydrophobicContact CD2-CG1 4.3Å; L557-V559 HydrophobicContact CG-CG1 3.88Å; V559-N562 PolarHBondContact O-ND2 3.49Å; V559-L564 HydrophobicContact CB-CD1 4.28Å; V559-L564 HydrophobicContact CG2-CD1 3.95Å; V559-F583 WeakPolarHBondContact CG2-O 3.48Å; V559-F583 PolarHBondContact N-O 2.91Å; V559-F583 VanDerWaalsContact N-O 3.11Å; V559-L584 HydrophobicContact CG2-CD2 3.68Å; V559-N587 PolarHBondContact O-ND2 3.02Å
560	R	97.4	Very high	95	Very high	88 Å²	88	45 Å²	45	33%	0.332	23%	0.227	S	C	.	.			trans	-57.5	161.6	175.9	-72.7	178.1	-71.4	174.6	-0.1	113.1	S538 R539 D558 N562 F583 S585	S538-R560 CarbonylContact C-O 3.23Å; S538-R560 WeakPolarHBondContact CA-O 3.27Å; S538-R560 WeakPolarHBondContact CB-O 3.41Å; R539-R560 PolarHBondContact N-O 3.14Å; D558-R560 WeakPolarHBondContact OD1-CB 3.36Å; D558-R560 VanDerWaalsContact OD1-CG 3.31Å; D558-R560 WeakPolarHBondContact OD1-CG 3.46Å; D558-R560 IonicContact OD1-CZ 2.72Å; D558-R560 PolarHBondContact OD1-N 2.73Å; D558-R560 VanDerWaalsContact OD1-N 3.09Å; D558-R560 IonicContact OD1-NE 3.44Å; D558-R560 PolarHBondContact OD1-NE 3.22Å; D558-R560 IonicContact OD1-NH2 3.51Å; D558-R560 IonicContact OD2-CZ 2.69Å; D558-R560 IonicContact OD2-NE 3.32Å; D558-R560 PolarHBondContact OD2-NE 3.35Å; D558-R560 IonicContact OD2-NH2 2.71Å; D558-R560 PolarHBondContact OD2-NH2 3.07Å; R560-N562 VanDerWaalsContact C-N 3.25Å; R560-N562 PolarHBondContact O-N 3.12Å; R560-N562 PolarHBondContact O-ND2 3.16Å; R560-F583 HydrophobicContact CG-CB 3.69Å; R560-S585 CarbonylContact C-O 3.36Å; R560-S585 WeakPolarHBondContact CA-O 3.35Å; R560-S585 WeakPolarHBondContact CB-O 3.21Å; R560-S585 WeakPolarHBondContact CD-OG 3.31Å
561	D	96.9	Very high	95.2	Very high	59 Å²	59	46.1 Å²	46.1	32%	0.316	23%	0.234	S	C	.	.	S	Bend	trans	54.1	38.6	171.3	-55.8	-32.6	0	0	0	113.3	R539 S585 G586	R539-D561 WeakPolarHBondContact CA-O 3.46Å; R539-D561 HydrophobicContact CB-CB 4.34Å; R539-D561 HydrophobicContact CG-CB 3.51Å; R539-D561 WeakPolarHBondContact CG-OD2 3.14Å; R539-D561 IonicContact CZ-OD2 3.08Å; R539-D561 IonicContact NE-OD2 3.2Å; R539-D561 PolarHBondContact NE-OD2 2.92Å; R539-D561 IonicContact NH2-OD2 2.64Å; R539-D561 PolarHBondContact NH2-OD2 2.87Å; D561-S585 PolarHBondContact N-O 3.15Å; D561-G586 WeakPolarHBondContact CA-O 3.32Å
562	N	97.1	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-113	-164.5	-179	-91.8	-81.8	0	0	0	111.3	L537 N540 S541 L542 V559 R560 L564 N587	L537-N562 PolarHBondContact O-ND2 2.75Å; N540-N562 WeakPolarHBondContact CA-OD1 3.31Å; N540-N562 VanDerWaalsContact CB-OD1 3.32Å; N540-N562 WeakPolarHBondContact CB-OD1 3.48Å; N540-N562 PolarHBondContact N-OD1 2.9Å; N540-N562 PolarHBondContact O-OD1 2.91Å; S541-N562 PolarHBondContact N-OD1 3.36Å; L542-N562 HydrophobicContact CB-CB 4.37Å; L542-N562 VanDerWaalsContact CB-OD1 3.26Å; L542-N562 WeakPolarHBondContact CB-OD1 3.46Å; L542-N562 WeakPolarHBondContact CG-OD1 3.41Å; L542-N562 PolarHBondContact N-OD1 3.12Å; V559-N562 PolarHBondContact O-ND2 3.49Å; R560-N562 VanDerWaalsContact C-N 3.25Å; R560-N562 PolarHBondContact O-N 3.12Å; R560-N562 PolarHBondContact O-ND2 3.16Å; N562-L564 HydrophobicContact CB-CG 4.45Å; N562-N587 WeakPolarHBondContact CA-OD1 3.42Å; N562-N587 WeakPolarHBondContact CB-OD1 3.22Å; N562-N587 PolarHBondContact O-OD1 2.85Å
563	R	95.6	Very high	95.4	Very high	145 Å²	145	48 Å²	48	55%	0.547	24%	0.235	S	C	.	.			trans	-118.4	26.1	-177.6	-56.8	-60.1	179.8	-168.8	-0.3	112.7	L542 Y543 S565 N587	L542-R563 CarbonylContact O-C 3.37Å; L542-R563 VanDerWaalsContact O-CA 3.24Å; L542-R563 WeakPolarHBondContact O-CA 3.37Å; L542-R563 WeakPolarHBondContact O-CB 3.34Å; L542-R563 PolarHBondContact O-N 3.28Å; Y543-R563 HydrophobicContact CD1-CB 3.87Å; Y543-R563 HydrophobicContact CE1-CB 3.86Å; Y543-R563 HydrophobicContact CE1-CG 4.44Å; Y543-R563 HydrophobicContact CG-CB 4.35Å; R563-S565 PolarHBondContact O-N 3.14Å; R563-N587 PolarHBondContact N-OD1 3.17Å
564	L	95.3	Very high	95.5	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.23	C	C	.	.			trans	-67	123.8	179	-56.9	174.8	0	0	0	110	L542 L545 V559 N562 N587 A588 F589	L542-L564 HydrophobicContact CB-CD2 4.21Å; L542-L564 PolarHBondContact O-N 3.34Å; L542-L564 VanDerWaalsContact O-N 3.13Å; L545-L564 HydrophobicContact CD2-CD1 3.88Å; L545-L564 HydrophobicContact CD2-CD2 4.14Å; L545-L564 HydrophobicContact CG-CD1 4.49Å; L545-L564 HydrophobicContact CG-CD2 4.37Å; V559-L564 HydrophobicContact CB-CD1 4.28Å; V559-L564 HydrophobicContact CG2-CD1 3.95Å; N562-L564 HydrophobicContact CB-CG 4.45Å; L564-N587 HydrophobicContact CB-CB 4.29Å; L564-N587 VanDerWaalsContact CB-OD1 3.31Å; L564-N587 WeakPolarHBondContact CB-OD1 3.49Å; L564-N587 VanDerWaalsContact CG-OD1 3.31Å; L564-N587 WeakPolarHBondContact CG-OD1 3.42Å; L564-N587 PolarHBondContact N-OD1 3.38Å; L564-A588 CarbonylContact O-C 3.15Å; L564-A588 VanDerWaalsContact O-C 3.26Å; L564-A588 PolarHBondContact O-N 2.98Å; L564-F589 HydrophobicContact CB-CD1 4.46Å; L564-F589 HydrophobicContact CB-CE1 3.81Å; L564-F589 HydrophobicContact CB-CZ 4.37Å; L564-F589 WeakPolarHBondContact O-CD1 3.4Å; L564-F589 PolarHBondContact O-N 3.09Å
565	S	94	Very high	95.4	Very high	47 Å²	47	46.6 Å²	46.6	33%	0.329	23%	0.23	S	C	.	.			trans	-92.2	-27.8	175.2	58.8	0	0	0	0	113.1	R563 A588 F589 N590	R563-S565 PolarHBondContact O-N 3.14Å; S565-A588 WeakPolarHBondContact CA-O 3.19Å; S565-F589 CarbonylContact O-C 3.55Å; S565-F589 WeakPolarHBondContact O-CA 3.22Å; S565-N590 PolarHBondContact O-N 3.05Å
566	T	94.9	Very high	95.3	Very high	25 Å²	25	44.7 Å²	44.7	15%	0.153	22%	0.223	C	C	.	.			trans	-163	165.4	171.8	-170.3	0	0	0	0	109.7	Q593	T566-Q593 HydrophobicContact CG2-CB 4.38Å; T566-Q593 PolarHBondContact OG1-O 3.11Å
567	I	95.1	Very high	95	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	24%	0.243	C	C	.	.			trans	-111.1	117.1	164.5	-55.7	173	0	0	0	106.5	L545 E571 A572 L575 L584 F589 W596 F600	L545-I567 HydrophobicContact CD1-CD1 4.4Å; L545-I567 HydrophobicContact CD1-CG1 4.45Å; L545-I567 HydrophobicContact CD1-CG2 4.41Å; I567-E571 HydrophobicContact CG2-CB 4.28Å; I567-A572 HydrophobicContact CB-CB 4.45Å; I567-A572 HydrophobicContact CG2-CB 3.87Å; I567-L575 HydrophobicContact CG2-CD1 4.5Å; I567-L584 HydrophobicContact CD1-CD2 4.14Å; I567-F589 HydrophobicContact CG1-CE1 4.5Å; I567-W596 HydrophobicContact CB-CB 3.87Å; I567-W596 HydrophobicContact CB-CG 3.93Å; I567-W596 HydrophobicContact CD1-CD2 4.44Å; I567-W596 HydrophobicContact CD1-CE3 4.39Å; I567-W596 HydrophobicContact CG1-CG 4.41Å; I567-W596 WeakPolarHBondContact O-CB 3.46Å; I567-F600 HydrophobicContact CD1-CE2 3.86Å; I567-F600 HydrophobicContact CD1-CZ 4.13Å
568	P	94.9	Very high	94.7	Very high	55 Å²	55	49.4 Å²	49.4	36%	0.357	25%	0.252	S	S	.	.			trans	-55.4	143	-178.4	-27.9	35.1	0	0	0	113.5	G570 E571 A572	P568-G570 VanDerWaalsContact C-N 3.33Å; P568-G570 PolarHBondContact O-N 2.89Å; P568-G570 VanDerWaalsContact O-N 3.13Å; P568-E571 HydrophobicContact CB-CB 4.3Å; P568-E571 HydrophobicContact CB-CG 4.19Å; P568-E571 WeakPolarHBondContact CD-OE2 3.43Å; P568-E571 HydrophobicContact CG-CG 4.49Å; P568-E571 WeakPolarHBondContact O-CA 3.29Å; P568-E571 WeakPolarHBondContact O-CB 3.23Å; P568-E571 PolarHBondContact O-N 3.03Å; P568-A572 PolarHBondContact O-N 3.15Å
569	F	92.3	Very high	94.6	Very high	115 Å²	115	48.9 Å²	48.9	50%	0.504	25%	0.25	S	C	.	.	H	α-helix	trans	-45.4	-48.6	-175.1	176.7	-88	0	0	0	114.6	R573 I599	F569-R573 WeakPolarHBondContact O-CB 3.12Å; F569-R573 PolarHBondContact O-N 3.2Å; F569-I599 HydrophobicContact CD2-CD1 3.67Å; F569-I599 HydrophobicContact CE2-CD1 3.92Å; F569-I599 HydrophobicContact CG-CD1 4.27Å
570	G	92.3	Very high	94.5	Very high	41 Å²	41	54.4 Å²	54.4	42%	0.423	28%	0.275	S	S	.	.	H	α-helix	trans	-69.7	-31.8	-179.9	0	0	0	0	0	113.7	P568 T574	P568-G570 VanDerWaalsContact C-N 3.33Å; P568-G570 PolarHBondContact O-N 2.89Å; P568-G570 VanDerWaalsContact O-N 3.13Å; G570-T574 WeakPolarHBondContact O-CB 3.42Å; G570-T574 PolarHBondContact O-N 3.26Å; G570-T574 VanDerWaalsContact O-N 3.11Å; G570-T574 PolarHBondContact O-OG1 3.04Å
571	E	94.1	Very high	94.5	Very high	61 Å²	61	51.7 Å²	51.7	29%	0.285	27%	0.269	S	S	.	.	H	α-helix	trans	-74.8	-46.8	178.5	-65.5	-180	-171.8	0	0	110.1	Y550 I567 P568 R573 T574 L575	Y550-E571 HydrophobicContact CD2-CG 4.34Å; Y550-E571 HydrophobicContact CE1-CB 3.79Å; Y550-E571 HydrophobicContact CE1-CG 4.18Å; Y550-E571 HydrophobicContact CE2-CB 4.18Å; Y550-E571 VanDerWaalsContact CE2-CD 3.46Å; Y550-E571 HydrophobicContact CE2-CG 3.64Å; Y550-E571 WeakPolarHBondContact OH-CB 3.18Å; Y550-E571 VanDerWaalsContact OH-CD 3.26Å; Y550-E571 PolarHBondContact OH-OE2 3.06Å; I567-E571 HydrophobicContact CG2-CB 4.28Å; P568-E571 HydrophobicContact CB-CB 4.3Å; P568-E571 HydrophobicContact CB-CG 4.19Å; P568-E571 WeakPolarHBondContact CD-OE2 3.43Å; P568-E571 HydrophobicContact CG-CG 4.49Å; P568-E571 WeakPolarHBondContact O-CA 3.29Å; P568-E571 WeakPolarHBondContact O-CB 3.23Å; P568-E571 PolarHBondContact O-N 3.03Å; E571-R573 PolarHBondContact O-N 3.4Å; E571-T574 PolarHBondContact O-N 3.37Å; E571-T574 VanDerWaalsContact O-N 3.1Å; E571-L575 WeakPolarHBondContact O-CG 3.34Å; E571-L575 PolarHBondContact O-N 3.21Å
572	A	94.4	Very high	94.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.2	-48.4	172.3	0	0	0	0	0	111.6	I567 P568 T574 L575 A576 W596 I599 F600	I567-A572 HydrophobicContact CB-CB 4.45Å; I567-A572 HydrophobicContact CG2-CB 3.87Å; P568-A572 PolarHBondContact O-N 3.15Å; A572-T574 VanDerWaalsContact C-N 3.28Å; A572-T574 PolarHBondContact O-N 2.91Å; A572-L575 PolarHBondContact O-N 3.14Å; A572-A576 VanDerWaalsContact O-CB 3.25Å; A572-A576 WeakPolarHBondContact O-CB 3.12Å; A572-A576 PolarHBondContact O-N 3.22Å; A572-W596 HydrophobicContact CB-CB 3.6Å; A572-I599 HydrophobicContact CB-CD1 3.99Å; A572-I599 HydrophobicContact CB-CG2 4.43Å; A572-F600 HydrophobicContact CB-CE1 4.23Å; A572-F600 HydrophobicContact CB-CZ 4.34Å; A572-F600 WeakPolarHBondContact O-CE1 3.4Å
573	R	93.5	Very high	94.6	Very high	174 Å²	174	51 Å²	51	66%	0.657	26%	0.263	S	S	*	.	H	α-helix	trans	-60.3	-34.9	176	176.9	178.6	159.6	-159	-8.4	113	F569 E571	F569-R573 WeakPolarHBondContact O-CB 3.12Å; F569-R573 PolarHBondContact O-N 3.2Å; E571-R573 PolarHBondContact O-N 3.4Å
574	T	93.6	Very high	94.6	Very high	55 Å²	55	44.2 Å²	44.2	34%	0.337	24%	0.238	S	C	.	.	H	α-helix	trans	-73.1	-43.5	179.4	-59.2	0	0	0	0	111.5	G570 E571 A572 A576 S577	G570-T574 WeakPolarHBondContact O-CB 3.42Å; G570-T574 PolarHBondContact O-N 3.26Å; G570-T574 VanDerWaalsContact O-N 3.11Å; G570-T574 PolarHBondContact O-OG1 3.04Å; E571-T574 PolarHBondContact O-N 3.37Å; E571-T574 VanDerWaalsContact O-N 3.1Å; A572-T574 VanDerWaalsContact C-N 3.28Å; A572-T574 PolarHBondContact O-N 2.91Å; T574-A576 VanDerWaalsContact C-N 3.31Å; T574-A576 PolarHBondContact O-N 3Å; T574-S577 PolarHBondContact O-OG 3.06Å
575	L	94.1	Very high	94.6	Very high	4 Å²	4	45 Å²	45	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-39.5	173.1	-68	175.5	0	0	0	111.6	L545 Y550 I567 E571 A572 S577 K578 L579 F600	L545-L575 HydrophobicContact CD1-CD1 3.72Å; Y550-L575 HydrophobicContact CD1-CD2 4.02Å; Y550-L575 HydrophobicContact CD1-CG 4.13Å; Y550-L575 HydrophobicContact CE1-CD1 4.02Å; Y550-L575 HydrophobicContact CE1-CD2 4.02Å; Y550-L575 HydrophobicContact CE1-CG 3.88Å; I567-L575 HydrophobicContact CG2-CD1 4.5Å; E571-L575 WeakPolarHBondContact O-CG 3.34Å; E571-L575 PolarHBondContact O-N 3.21Å; A572-L575 PolarHBondContact O-N 3.14Å; L575-S577 VanDerWaalsContact C-N 3.26Å; L575-S577 PolarHBondContact O-N 3.16Å; L575-K578 PolarHBondContact O-N 2.58Å; L575-L579 HydrophobicContact CB-CD1 3.98Å; L575-L579 HydrophobicContact CD2-CD1 4.29Å; L575-L579 PolarHBondContact O-N 3.46Å; L575-F600 HydrophobicContact CB-CE1 4.26Å; L575-F600 HydrophobicContact CB-CZ 4.43Å; L575-F600 HydrophobicContact CD1-CZ 4.48Å
576	A	93.9	Very high	94.6	Very high	10 Å²	10	44.7 Å²	44.7	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-27	-176.7	0	0	0	0	0	114.8	A572 T574 I599 F600 A603 T605 I606	A572-A576 VanDerWaalsContact O-CB 3.25Å; A572-A576 WeakPolarHBondContact O-CB 3.12Å; A572-A576 PolarHBondContact O-N 3.22Å; T574-A576 VanDerWaalsContact C-N 3.31Å; T574-A576 PolarHBondContact O-N 3Å; A576-I599 HydrophobicContact CB-CG2 3.95Å; A576-F600 HydrophobicContact CB-CD1 4.05Å; A576-F600 HydrophobicContact CB-CE1 4.21Å; A576-A603 HydrophobicContact CB-CB 4.08Å; A576-T605 PolarHBondContact O-OG1 3.15Å; A576-I606 HydrophobicContact CB-CD1 3.76Å
577	S	92.4	Very high	94.7	Very high	96 Å²	96	44 Å²	44	67%	0.671	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-9	175	54.8	0	0	0	0	114.8	T574 L575	T574-S577 PolarHBondContact O-OG 3.06Å; L575-S577 VanDerWaalsContact C-N 3.26Å; L575-S577 PolarHBondContact O-N 3.16Å
578	K	91.9	Very high	94.5	Very high	44 Å²	44	45.6 Å²	45.6	19%	0.191	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-47.2	-173	-70	179.2	164.2	-172.9	0	113	Y550 Q551 I552 L554 K555 L575	Y550-K578 PolarHBondContact O-NZ 3.37Å; Q551-K578 PolarHBondContact O-NZ 3.49Å; I552-K578 WeakPolarHBondContact O-CD 3.35Å; I552-K578 WeakPolarHBondContact O-CE 3.09Å; I552-K578 PolarHBondContact O-NZ 3.32Å; L554-K578 CarbonylContact O-C 3.39Å; K555-K578 WeakPolarHBondContact CD-O 3.19Å; K555-K578 PolarHBondContact NZ-O 3.07Å; L575-K578 PolarHBondContact O-N 2.58Å
579	L	95.4	Very high	94.5	Very high	3 Å²	3	43 Å²	43	2%	0.016	24%	0.24	C	C	.	.			trans	-70.9	147.1	-175.5	-68.8	176.3	0	0	0	112.5	L554 L557 L575 I582	L554-L579 HydrophobicContact CB-CD2 4.24Å; L554-L579 HydrophobicContact CD2-CD2 4.2Å; L554-L579 HydrophobicContact CG-CD2 4.2Å; L557-L579 HydrophobicContact CB-CD1 4.11Å; L557-L579 HydrophobicContact CB-CD2 3.84Å; L557-L579 HydrophobicContact CD2-CD1 4.27Å; L575-L579 HydrophobicContact CB-CD1 3.98Å; L575-L579 HydrophobicContact CD2-CD1 4.29Å; L575-L579 PolarHBondContact O-N 3.46Å; L579-I582 HydrophobicContact CD1-CB 4.24Å; L579-I582 HydrophobicContact CD1-CD1 3.76Å; L579-I582 HydrophobicContact CD1-CG1 4.17Å
580	Q	96.3	Very high	94.4	Very high	115 Å²	115	40 Å²	40	54%	0.537	23%	0.229	S	C	.	.	S	Bend	trans	-108.1	-32.8	170.8	-65.9	176	-23.3	0	0	111.2	K555 N607	K555-Q580 HydrophobicContact CB-CG 4.39Å; K555-Q580 HydrophobicContact CD-CG 4.37Å; K555-Q580 PolarHBondContact O-N 3.45Å; Q580-N607 PolarHBondContact O-N 3.11Å
581	T	97.4	Very high	94.4	Very high	32 Å²	32	38.1 Å²	38.1	20%	0.196	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	134.5	179.7	-51.4	0	0	0	0	110.4	K555 V556 L557 F583 N607 V609	K555-T581 PolarHBondContact O-N 2.87Å; V556-T581 WeakPolarHBondContact CA-O 3.21Å; L557-T581 PolarHBondContact N-O 2.97Å; L557-T581 VanDerWaalsContact N-O 3.14Å; T581-F583 HydrophobicContact CG2-CD2 4.34Å; T581-F583 HydrophobicContact CG2-CE2 3.7Å; T581-F583 HydrophobicContact CG2-CZ 4.03Å; T581-N607 WeakPolarHBondContact CA-O 3.33Å; T581-V609 HydrophobicContact CG2-CG2 3.54Å
582	I	96.8	Very high	94	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	142.2	174.5	-161.2	173.6	0	0	0	111.4	L557 L579 L584 F600 I606 N607 M608 V609	L557-I582 HydrophobicContact CB-CG1 4.33Å; L557-I582 HydrophobicContact CD2-CD1 4.39Å; L557-I582 WeakPolarHBondContact O-CA 3.25Å; L579-I582 HydrophobicContact CD1-CB 4.24Å; L579-I582 HydrophobicContact CD1-CD1 3.76Å; L579-I582 HydrophobicContact CD1-CG1 4.17Å; I582-L584 HydrophobicContact CD1-CD1 4.23Å; I582-L584 HydrophobicContact CD1-CD2 3.77Å; I582-L584 HydrophobicContact CD1-CG 4.15Å; I582-L584 HydrophobicContact CG1-CD1 4.45Å; I582-L584 HydrophobicContact CG1-CD2 3.97Å; I582-L584 HydrophobicContact CG1-CG 4.03Å; I582-L584 HydrophobicContact CG2-CD1 4.11Å; I582-L584 HydrophobicContact CG2-CG 4.36Å; I582-F600 HydrophobicContact CD1-CE2 3.83Å; I582-F600 HydrophobicContact CD1-CZ 3.99Å; I582-I606 HydrophobicContact CB-CG2 4.44Å; I582-I606 HydrophobicContact CG2-CG2 3.83Å; I582-N607 PolarHBondContact N-O 3.27Å; I582-M608 HydrophobicContact CG2-CB 4.45Å; I582-M608 HydrophobicContact CG2-CG 3.76Å; I582-V609 PolarHBondContact O-N 2.83Å
583	F	97.6	Very high	93.7	Very high	43 Å²	43	41.8 Å²	41.8	19%	0.189	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124	176.9	-52.2	-109.9	0	0	0	109.7	V556 L557 D558 V559 R560 T581 V609	V556-F583 HydrophobicContact CG1-CE2 3.99Å; L557-F583 PolarHBondContact O-N 3.36Å; D558-F583 HydrophobicContact CB-CB 4.25Å; D558-F583 HydrophobicContact CB-CD2 3.91Å; D558-F583 HydrophobicContact CB-CG 4.3Å; D558-F583 WeakPolarHBondContact OD1-CB 3.38Å; V559-F583 WeakPolarHBondContact CG2-O 3.48Å; V559-F583 PolarHBondContact N-O 2.91Å; V559-F583 VanDerWaalsContact N-O 3.11Å; R560-F583 HydrophobicContact CG-CB 3.69Å; T581-F583 HydrophobicContact CG2-CD2 4.34Å; T581-F583 HydrophobicContact CG2-CE2 3.7Å; T581-F583 HydrophobicContact CG2-CZ 4.03Å; F583-V609 HydrophobicContact CD1-CB 3.57Å; F583-V609 HydrophobicContact CD1-CG1 3.84Å; F583-V609 HydrophobicContact CD1-CG2 3.94Å; F583-V609 HydrophobicContact CE1-CB 3.7Å; F583-V609 HydrophobicContact CE1-CG1 3.69Å; F583-V609 HydrophobicContact CE1-CG2 3.67Å; F583-V609 HydrophobicContact CE2-CG2 4.43Å; F583-V609 HydrophobicContact CG-CB 4.24Å; F583-V609 HydrophobicContact CG-CG2 4.43Å; F583-V609 HydrophobicContact CZ-CB 4.45Å; F583-V609 HydrophobicContact CZ-CG2 3.93Å
584	L	96.3	Very high	93.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	21%	0.206	C	C	.	.			trans	-130.9	-12.8	-165.8	-65.5	171.5	0	0	0	115.2	V559 I567 I582 N587 F589 W596 F600 M608 I614	V559-L584 HydrophobicContact CG2-CD2 3.68Å; I567-L584 HydrophobicContact CD1-CD2 4.14Å; I582-L584 HydrophobicContact CD1-CD1 4.23Å; I582-L584 HydrophobicContact CD1-CD2 3.77Å; I582-L584 HydrophobicContact CD1-CG 4.15Å; I582-L584 HydrophobicContact CG1-CD1 4.45Å; I582-L584 HydrophobicContact CG1-CD2 3.97Å; I582-L584 HydrophobicContact CG1-CG 4.03Å; I582-L584 HydrophobicContact CG2-CD1 4.11Å; I582-L584 HydrophobicContact CG2-CG 4.36Å; L584-N587 PolarHBondContact O-ND2 2.9Å; L584-F589 HydrophobicContact CB-CE2 4.21Å; L584-F589 HydrophobicContact CB-CZ 4.37Å; L584-F589 HydrophobicContact CD2-CZ 4.31Å; L584-W596 HydrophobicContact CD1-CE3 4.23Å; L584-W596 HydrophobicContact CD1-CH2 4.33Å; L584-W596 HydrophobicContact CD1-CZ3 3.58Å; L584-F600 HydrophobicContact CD1-CD2 4Å; L584-F600 HydrophobicContact CD1-CE2 3.95Å; L584-M608 HydrophobicContact CD1-SD 4.4Å; L584-I614 HydrophobicContact CB-CD1 4.08Å; L584-I614 HydrophobicContact CB-CG1 4.4Å; L584-I614 HydrophobicContact CD1-CD1 4.4Å
585	S	95.4	Very high	93.4	Very high	17 Å²	17	37.8 Å²	37.8	12%	0.119	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	155.9	-177.5	51.8	0	0	0	0	113.7	R560 D561 N587 D613	R560-S585 CarbonylContact C-O 3.36Å; R560-S585 WeakPolarHBondContact CA-O 3.35Å; R560-S585 WeakPolarHBondContact CB-O 3.21Å; R560-S585 WeakPolarHBondContact CD-OG 3.31Å; D561-S585 PolarHBondContact N-O 3.15Å; S585-N587 VanDerWaalsContact C-N 3.31Å; S585-N587 PolarHBondContact O-N 2.98Å; S585-D613 WeakPolarHBondContact CB-O 3.44Å
586	G	94.8	Very high	93.3	Very high	41 Å²	41	37.6 Å²	37.6	42%	0.423	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	13.2	-177.4	0	0	0	0	0	115.4	D561	D561-G586 WeakPolarHBondContact CA-O 3.32Å
587	N	95.6	Very high	93.3	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.053	22%	0.215	C	C	.	.			trans	-95.2	151.6	170.8	-81.6	-79.4	0	0	0	111.8	V559 N562 R563 L564 L584 S585 F589	V559-N587 PolarHBondContact O-ND2 3.02Å; N562-N587 WeakPolarHBondContact CA-OD1 3.42Å; N562-N587 WeakPolarHBondContact CB-OD1 3.22Å; N562-N587 PolarHBondContact O-OD1 2.85Å; R563-N587 PolarHBondContact N-OD1 3.17Å; L564-N587 HydrophobicContact CB-CB 4.29Å; L564-N587 VanDerWaalsContact CB-OD1 3.31Å; L564-N587 WeakPolarHBondContact CB-OD1 3.49Å; L564-N587 VanDerWaalsContact CG-OD1 3.31Å; L564-N587 WeakPolarHBondContact CG-OD1 3.42Å; L564-N587 PolarHBondContact N-OD1 3.38Å; L584-N587 PolarHBondContact O-ND2 2.9Å; S585-N587 VanDerWaalsContact C-N 3.31Å; S585-N587 PolarHBondContact O-N 2.98Å; N587-F589 VanDerWaalsContact C-N 3.29Å; N587-F589 HydrophobicContact CB-CD2 3.85Å; N587-F589 HydrophobicContact CB-CE1 4.25Å; N587-F589 HydrophobicContact CB-CE2 3.51Å; N587-F589 HydrophobicContact CB-CG 4.36Å; N587-F589 HydrophobicContact CB-CZ 3.72Å; N587-F589 PolarHBondContact O-N 3.04Å; N587-F589 VanDerWaalsContact O-N 3.16Å
588	A	91.3	Very high	93.2	Very high	38 Å²	38	39.2 Å²	39.2	31%	0.314	21%	0.21	S	C	.	.			trans	-89.5	56.9	179.9	0	0	0	0	0	111.9	L564 S565	L564-A588 CarbonylContact O-C 3.15Å; L564-A588 VanDerWaalsContact O-C 3.26Å; L564-A588 PolarHBondContact O-N 2.98Å; S565-A588 WeakPolarHBondContact CA-O 3.19Å
589	F	94.6	Very high	93.3	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	143.7	-177.8	-67.6	-62.5	0	0	0	112	L564 S565 I567 L584 N587 W596 I614 C616 Q617	L564-F589 HydrophobicContact CB-CD1 4.46Å; L564-F589 HydrophobicContact CB-CE1 3.81Å; L564-F589 HydrophobicContact CB-CZ 4.37Å; L564-F589 WeakPolarHBondContact O-CD1 3.4Å; L564-F589 PolarHBondContact O-N 3.09Å; S565-F589 CarbonylContact O-C 3.55Å; S565-F589 WeakPolarHBondContact O-CA 3.22Å; I567-F589 HydrophobicContact CG1-CE1 4.5Å; L584-F589 HydrophobicContact CB-CE2 4.21Å; L584-F589 HydrophobicContact CB-CZ 4.37Å; L584-F589 HydrophobicContact CD2-CZ 4.31Å; N587-F589 VanDerWaalsContact C-N 3.29Å; N587-F589 HydrophobicContact CB-CD2 3.85Å; N587-F589 HydrophobicContact CB-CE1 4.25Å; N587-F589 HydrophobicContact CB-CE2 3.51Å; N587-F589 HydrophobicContact CB-CG 4.36Å; N587-F589 HydrophobicContact CB-CZ 3.72Å; N587-F589 PolarHBondContact O-N 3.04Å; N587-F589 VanDerWaalsContact O-N 3.16Å; F589-W596 HydrophobicContact CB-CZ2 4.23Å; F589-W596 HydrophobicContact CD1-CH2 4.45Å; F589-W596 AromaticContact CD1-CZ2 3.61Å; F589-W596 HydrophobicContact CD1-CZ2 3.61Å; F589-W596 AromaticContact CD2-CH2 3.91Å; F589-W596 HydrophobicContact CD2-CH2 3.91Å; F589-W596 AromaticContact CD2-CZ2 3.67Å; F589-W596 HydrophobicContact CD2-CZ2 3.67Å; F589-W596 HydrophobicContact CE1-CH2 4.29Å; F589-W596 AromaticContact CE1-CZ2 3.77Å; F589-W596 HydrophobicContact CE1-CZ2 3.77Å; F589-W596 AromaticContact CE2-CH2 3.71Å; F589-W596 HydrophobicContact CE2-CH2 3.71Å; F589-W596 AromaticContact CE2-CZ2 3.82Å; F589-W596 HydrophobicContact CE2-CZ2 3.82Å; F589-W596 HydrophobicContact CG-CH2 4.28Å; F589-W596 AromaticContact CG-CZ2 3.57Å; F589-W596 HydrophobicContact CG-CZ2 3.57Å; F589-W596 AromaticContact CZ-CH2 3.93Å; F589-W596 HydrophobicContact CZ-CH2 3.93Å; F589-W596 AromaticContact CZ-CZ2 3.87Å; F589-W596 HydrophobicContact CZ-CZ2 3.87Å; F589-I614 HydrophobicContact CD2-CG2 4.3Å; F589-I614 HydrophobicContact CE2-CG2 4.28Å; F589-C616 HydrophobicContact CB-CB 4.05Å; F589-C616 CarbonylContact O-C 3.24Å; F589-C616 WeakPolarHBondContact O-CA 3.3Å; F589-C616 VanDerWaalsContact O-CB 3.26Å; F589-C616 WeakPolarHBondContact O-CB 3.14Å; F589-Q617 PolarHBondContact O-N 2.84Å
590	N	91.6	Very high	93.2	Very high	51 Å²	51	38.3 Å²	38.3	27%	0.273	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121	172.4	177	-3.9	0	0	0	109.3	S565 C592 Q593	S565-N590 PolarHBondContact O-N 3.05Å; N590-C592 PolarHBondContact O-N 3.3Å; N590-C592 VanDerWaalsContact O-N 3.09Å; N590-C592 WeakPolarHBondContact OD1-CB 3.33Å; N590-C592 PolarHBondContact OD1-N 2.86Å; N590-Q593 HydrophobicContact CB-CB 4.25Å; N590-Q593 HydrophobicContact CB-CG 4.4Å; N590-Q593 PolarHBondContact ND2-OE1 3.19Å; N590-Q593 CarbonylContact O-C 3.48Å; N590-Q593 PolarHBondContact O-N 2.85Å
591	C	90.5	Very high	93	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.007	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-58.6	-26.6	-179.2	-64.2	0	0	0	0	113.1	Q593 T594 C616 Q617 F632	C591-Q593 VanDerWaalsContact C-N 3.28Å; C591-Q593 PolarHBondContact O-N 2.89Å; C591-T594 VanDerWaalsContact O-CG2 3.27Å; C591-T594 WeakPolarHBondContact O-CG2 3.48Å; C591-T594 PolarHBondContact O-OG1 3.31Å; C591-C616 WeakPolarHBondContact CA-SG 3.32Å; C591-C616 HydrophobicContact CB-CB 3.95Å; C591-C616 WeakPolarHBondContact CB-SG 3.28Å; C591-C616 WeakPolarHBondContact SG-CB 3.38Å; C591-C616 PolarHBondContact SG-O 3.33Å; C591-C616 CovalentContact SG-SG 2.04Å; C591-C616 PolarHBondContact SG-SG 3.01Å; C591-Q617 PolarHBondContact N-O 3.2Å; C591-F632 HydrophobicContact CB-CB 4.08Å; C591-F632 HydrophobicContact CB-CD1 3.7Å; C591-F632 HydrophobicContact CB-CD2 4.04Å; C591-F632 HydrophobicContact CB-CE1 4.11Å; C591-F632 HydrophobicContact CB-CE2 4.41Å; C591-F632 HydrophobicContact CB-CG 3.67Å; C591-F632 HydrophobicContact CB-CZ 4.45Å
592	C	86.6	Confident	92.6	Very high	52 Å²	52	41 Å²	41	35%	0.351	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-81.1	-1.6	177.5	-52.3	0	0	0	0	114.1	N590 C634	N590-C592 PolarHBondContact O-N 3.3Å; N590-C592 VanDerWaalsContact O-N 3.09Å; N590-C592 WeakPolarHBondContact OD1-CB 3.33Å; N590-C592 PolarHBondContact OD1-N 2.86Å; C592-C634 WeakPolarHBondContact CA-SG 3.31Å; C592-C634 HydrophobicContact CB-CB 3.88Å; C592-C634 WeakPolarHBondContact CB-SG 3.43Å; C592-C634 WeakPolarHBondContact SG-CA 3.45Å; C592-C634 WeakPolarHBondContact SG-CB 3.48Å; C592-C634 CovalentContact SG-SG 2.03Å; C592-C634 PolarHBondContact SG-SG 2.89Å
593	Q	89.1	Confident	92.2	Very high	86 Å²	86	41.7 Å²	41.7	40%	0.402	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-131.7	47.4	-179.2	-60	-177	-74.1	0	0	111	T566 N590 C591 W596	T566-Q593 HydrophobicContact CG2-CB 4.38Å; T566-Q593 PolarHBondContact OG1-O 3.11Å; N590-Q593 HydrophobicContact CB-CB 4.25Å; N590-Q593 HydrophobicContact CB-CG 4.4Å; N590-Q593 PolarHBondContact ND2-OE1 3.19Å; N590-Q593 CarbonylContact O-C 3.48Å; N590-Q593 PolarHBondContact O-N 2.85Å; C591-Q593 VanDerWaalsContact C-N 3.28Å; C591-Q593 PolarHBondContact O-N 2.89Å; Q593-W596 PolarHBondContact O-NE1 3.1Å
594	T	89.1	Confident	91.2	Very high	20 Å²	20	49.7 Å²	49.7	12%	0.123	27%	0.268	C	S	.	.			trans	-94.7	11.3	-175.1	43.3	0	0	0	0	114.2	C591 W596 F597 V626	C591-T594 VanDerWaalsContact O-CG2 3.27Å; C591-T594 WeakPolarHBondContact O-CG2 3.48Å; C591-T594 PolarHBondContact O-OG1 3.31Å; T594-W596 VanDerWaalsContact C-N 3.25Å; T594-W596 PolarHBondContact O-N 3.25Å; T594-F597 WeakPolarHBondContact O-CB 3.25Å; T594-F597 PolarHBondContact O-N 3.27Å; T594-V626 HydrophobicContact CG2-CG1 3.81Å; T594-V626 HydrophobicContact CG2-CG2 4.31Å
595	E	90.2	Very high	90.6	Very high	125 Å²	125	54.2 Å²	54.2	58%	0.584	30%	0.296	S	S	*	.	H	α-helix	trans	-56.9	-36.4	-178.1	-58.5	-176.8	124.6	0	0	113.3	F597 K598 I599	E595-F597 VanDerWaalsContact C-N 3.25Å; E595-F597 PolarHBondContact O-N 3.12Å; E595-K598 PolarHBondContact O-N 2.95Å; E595-I599 WeakPolarHBondContact O-CG1 3.49Å; E595-I599 PolarHBondContact O-N 3.4Å; E595-I599 VanDerWaalsContact O-N 3.09Å
596	W	93.6	Very high	90.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-32.1	176.1	59	-93.5	0	0	0	113.2	I567 A572 L584 F589 Q593 T594 I599 F600 I614	I567-W596 HydrophobicContact CB-CB 3.87Å; I567-W596 HydrophobicContact CB-CG 3.93Å; I567-W596 HydrophobicContact CD1-CD2 4.44Å; I567-W596 HydrophobicContact CD1-CE3 4.39Å; I567-W596 HydrophobicContact CG1-CG 4.41Å; I567-W596 WeakPolarHBondContact O-CB 3.46Å; A572-W596 HydrophobicContact CB-CB 3.6Å; L584-W596 HydrophobicContact CD1-CE3 4.23Å; L584-W596 HydrophobicContact CD1-CH2 4.33Å; L584-W596 HydrophobicContact CD1-CZ3 3.58Å; F589-W596 HydrophobicContact CB-CZ2 4.23Å; F589-W596 HydrophobicContact CD1-CH2 4.45Å; F589-W596 AromaticContact CD1-CZ2 3.61Å; F589-W596 HydrophobicContact CD1-CZ2 3.61Å; F589-W596 AromaticContact CD2-CH2 3.91Å; F589-W596 HydrophobicContact CD2-CH2 3.91Å; F589-W596 AromaticContact CD2-CZ2 3.67Å; F589-W596 HydrophobicContact CD2-CZ2 3.67Å; F589-W596 HydrophobicContact CE1-CH2 4.29Å; F589-W596 AromaticContact CE1-CZ2 3.77Å; F589-W596 HydrophobicContact CE1-CZ2 3.77Å; F589-W596 AromaticContact CE2-CH2 3.71Å; F589-W596 HydrophobicContact CE2-CH2 3.71Å; F589-W596 AromaticContact CE2-CZ2 3.82Å; F589-W596 HydrophobicContact CE2-CZ2 3.82Å; F589-W596 HydrophobicContact CG-CH2 4.28Å; F589-W596 AromaticContact CG-CZ2 3.57Å; F589-W596 HydrophobicContact CG-CZ2 3.57Å; F589-W596 AromaticContact CZ-CH2 3.93Å; F589-W596 HydrophobicContact CZ-CH2 3.93Å; F589-W596 AromaticContact CZ-CZ2 3.87Å; F589-W596 HydrophobicContact CZ-CZ2 3.87Å; Q593-W596 PolarHBondContact O-NE1 3.1Å; T594-W596 VanDerWaalsContact C-N 3.25Å; T594-W596 PolarHBondContact O-N 3.25Å; W596-I599 WeakPolarHBondContact O-CB 3.19Å; W596-I599 PolarHBondContact O-N 3.1Å; W596-F600 AromaticContact CE3-CD2 3.81Å; W596-F600 HydrophobicContact CE3-CD2 3.81Å; W596-F600 AromaticContact CE3-CE2 3.91Å; W596-F600 HydrophobicContact CE3-CE2 3.91Å; W596-F600 HydrophobicContact CZ3-CD2 4.3Å; W596-F600 WeakPolarHBondContact O-CG 3.13Å; W596-F600 PolarHBondContact O-N 3.35Å; W596-I614 HydrophobicContact CH2-CG2 3.86Å
597	F	93.3	Very high	90.5	Very high	8 Å²	8	57.1 Å²	57.1	4%	0.035	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-45.6	179.2	-178.2	-87	0	0	0	110	T594 E595 I599 F600 E601 M608 V611 I614 V626 Q627	T594-F597 WeakPolarHBondContact O-CB 3.25Å; T594-F597 PolarHBondContact O-N 3.27Å; E595-F597 VanDerWaalsContact C-N 3.25Å; E595-F597 PolarHBondContact O-N 3.12Å; F597-I599 VanDerWaalsContact C-N 3.3Å; F597-I599 PolarHBondContact O-N 2.65Å; F597-F600 PolarHBondContact O-N 3.03Å; F597-E601 HydrophobicContact CE1-CB 4.5Å; F597-E601 VanDerWaalsContact O-CB 3.28Å; F597-E601 WeakPolarHBondContact O-CB 3.33Å; F597-E601 PolarHBondContact O-N 3.42Å; F597-M608 HydrophobicContact CD2-CE 4.24Å; F597-M608 HydrophobicContact CD2-SD 4.28Å; F597-M608 HydrophobicContact CE2-CE 4.04Å; F597-M608 HydrophobicContact CE2-SD 4.4Å; F597-M608 HydrophobicContact CZ-CE 4.27Å; F597-V611 HydrophobicContact CE2-CG1 3.76Å; F597-V611 HydrophobicContact CZ-CG1 3.6Å; F597-I614 HydrophobicContact CE2-CD1 4.35Å; F597-V626 HydrophobicContact CB-CG1 3.7Å; F597-V626 HydrophobicContact CD1-CG1 3.88Å; F597-V626 HydrophobicContact CD2-CB 4.1Å; F597-V626 HydrophobicContact CD2-CG1 3.44Å; F597-V626 VanDerWaalsContact CD2-CG1 3.44Å; F597-V626 HydrophobicContact CE1-CG1 4.35Å; F597-V626 HydrophobicContact CE2-CB 4.21Å; F597-V626 HydrophobicContact CE2-CG1 3.94Å; F597-V626 HydrophobicContact CG-CB 4.48Å; F597-V626 HydrophobicContact CG-CG1 3.39Å; F597-V626 HydrophobicContact CZ-CG1 4.37Å; F597-Q627 HydrophobicContact CZ-CB 4.41Å
598	K	90.6	Very high	90.4	Very high	132 Å²	132	57.5 Å²	57.5	57%	0.574	30%	0.302	S	S	*	.	H	α-helix	trans	-63.3	-35.8	175.5	-65	178.1	179.4	175.6	0	111.8	E595 S602	E595-K598 PolarHBondContact O-N 2.95Å; K598-S602 VanDerWaalsContact O-CB 3.25Å; K598-S602 WeakPolarHBondContact O-CB 2.93Å; K598-S602 PolarHBondContact O-N 2.99Å; K598-S602 PolarHBondContact O-OG 3.02Å
599	I	93.1	Very high	90.5	Very high	27 Å²	27	57.8 Å²	57.8	14%	0.138	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-52.7	171.8	-68.5	168	0	0	0	110.1	F569 A572 A576 E595 W596 F597 S602 A603	F569-I599 HydrophobicContact CD2-CD1 3.67Å; F569-I599 HydrophobicContact CE2-CD1 3.92Å; F569-I599 HydrophobicContact CG-CD1 4.27Å; A572-I599 HydrophobicContact CB-CD1 3.99Å; A572-I599 HydrophobicContact CB-CG2 4.43Å; A576-I599 HydrophobicContact CB-CG2 3.95Å; E595-I599 WeakPolarHBondContact O-CG1 3.49Å; E595-I599 PolarHBondContact O-N 3.4Å; E595-I599 VanDerWaalsContact O-N 3.09Å; W596-I599 WeakPolarHBondContact O-CB 3.19Å; W596-I599 PolarHBondContact O-N 3.1Å; F597-I599 VanDerWaalsContact C-N 3.3Å; F597-I599 PolarHBondContact O-N 2.65Å; I599-S602 PolarHBondContact O-N 2.78Å; I599-S602 PolarHBondContact O-OG 3Å; I599-A603 VanDerWaalsContact O-CB 3.32Å; I599-A603 WeakPolarHBondContact O-CB 3.05Å; I599-A603 PolarHBondContact O-N 2.92Å
600	F	93.7	Very high	90.2	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.009	32%	0.315	C	S	.	.	H	α-helix	trans	-66.5	-38.8	-178.7	-65.7	-22.2	0	0	0	113.4	I567 A572 L575 A576 I582 L584 W596 F597 A603 I606 M608	I567-F600 HydrophobicContact CD1-CE2 3.86Å; I567-F600 HydrophobicContact CD1-CZ 4.13Å; A572-F600 HydrophobicContact CB-CE1 4.23Å; A572-F600 HydrophobicContact CB-CZ 4.34Å; A572-F600 WeakPolarHBondContact O-CE1 3.4Å; L575-F600 HydrophobicContact CB-CE1 4.26Å; L575-F600 HydrophobicContact CB-CZ 4.43Å; L575-F600 HydrophobicContact CD1-CZ 4.48Å; A576-F600 HydrophobicContact CB-CD1 4.05Å; A576-F600 HydrophobicContact CB-CE1 4.21Å; I582-F600 HydrophobicContact CD1-CE2 3.83Å; I582-F600 HydrophobicContact CD1-CZ 3.99Å; L584-F600 HydrophobicContact CD1-CD2 4Å; L584-F600 HydrophobicContact CD1-CE2 3.95Å; W596-F600 AromaticContact CE3-CD2 3.81Å; W596-F600 HydrophobicContact CE3-CD2 3.81Å; W596-F600 AromaticContact CE3-CE2 3.91Å; W596-F600 HydrophobicContact CE3-CE2 3.91Å; W596-F600 HydrophobicContact CZ3-CD2 4.3Å; W596-F600 WeakPolarHBondContact O-CG 3.13Å; W596-F600 PolarHBondContact O-N 3.35Å; F597-F600 PolarHBondContact O-N 3.03Å; F600-A603 PolarHBondContact O-N 3.18Å; F600-I606 HydrophobicContact CB-CD1 3.98Å; F600-I606 HydrophobicContact CD1-CD1 3.38Å; F600-I606 HydrophobicContact CE1-CD1 4.12Å; F600-I606 HydrophobicContact CG-CD1 3.92Å; F600-M608 HydrophobicContact CB-CE 3.97Å; F600-M608 HydrophobicContact CB-CG 4.12Å; F600-M608 HydrophobicContact CB-SD 3.52Å; F600-M608 VanDerWaalsContact CB-SD 3.52Å; F600-M608 HydrophobicContact CD2-SD 3.99Å; F600-M608 HydrophobicContact CG-SD 4.26Å
601	E	91.1	Very high	90.1	Very high	115 Å²	115	59.2 Å²	59.2	54%	0.537	31%	0.314	S	S	.	.	H	α-helix	trans	-64.4	-39.6	174.9	-177.3	-179.6	-122.4	0	0	112.2	F597 A603 M608	F597-E601 HydrophobicContact CE1-CB 4.5Å; F597-E601 VanDerWaalsContact O-CB 3.28Å; F597-E601 WeakPolarHBondContact O-CB 3.33Å; F597-E601 PolarHBondContact O-N 3.42Å; E601-A603 VanDerWaalsContact C-N 3.3Å; E601-A603 PolarHBondContact O-N 3.36Å; E601-M608 HydrophobicContact CB-CE 4.09Å
602	S	90.4	Very high	90	Very high	88 Å²	88	61.8 Å²	61.8	62%	0.615	33%	0.332	S	S	*	.	H	α-helix	trans	-71.5	-25	174.4	75.8	0	0	0	0	113.2	K598 I599 K604	K598-S602 VanDerWaalsContact O-CB 3.25Å; K598-S602 WeakPolarHBondContact O-CB 2.93Å; K598-S602 PolarHBondContact O-N 2.99Å; K598-S602 PolarHBondContact O-OG 3.02Å; I599-S602 PolarHBondContact O-N 2.78Å; I599-S602 PolarHBondContact O-OG 3Å; S602-K604 PolarHBondContact O-N 3.34Å; S602-K604 VanDerWaalsContact O-N 3.08Å
603	A	87.1	Confident	90.3	Very high	17 Å²	17	63.4 Å²	63.4	14%	0.14	34%	0.338	C	S	.	.			trans	-81.7	85.3	-178.7	0	0	0	0	0	110.9	A576 I599 F600 E601 T605 I606	A576-A603 HydrophobicContact CB-CB 4.08Å; I599-A603 VanDerWaalsContact O-CB 3.32Å; I599-A603 WeakPolarHBondContact O-CB 3.05Å; I599-A603 PolarHBondContact O-N 2.92Å; F600-A603 PolarHBondContact O-N 3.18Å; E601-A603 VanDerWaalsContact C-N 3.3Å; E601-A603 PolarHBondContact O-N 3.36Å; A603-T605 PolarHBondContact O-N 3.44Å; A603-I606 HydrophobicContact CB-CD1 3.73Å; A603-I606 HydrophobicContact CB-CG1 3.93Å; A603-I606 PolarHBondContact O-N 2.97Å
604	K	78.4	Confident	90.5	Very high	210 Å²	210	59.4 Å²	59.4	91%	0.913	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-3.9	177.9	-60.1	-177.9	174.3	179.7	0	116.3	S602	S602-K604 PolarHBondContact O-N 3.34Å; S602-K604 VanDerWaalsContact O-N 3.08Å
605	T	83.6	Confident	90.7	Very high	97 Å²	97	63.1 Å²	63.1	60%	0.595	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-16.3	174.9	42.6	0	0	0	0	114	A576 A603	A576-T605 PolarHBondContact O-OG1 3.15Å; A603-T605 PolarHBondContact O-N 3.44Å
606	I	92.5	Very high	90.7	Very high	21 Å²	21	57.2 Å²	57.2	11%	0.108	31%	0.307	C	S	.	.			trans	-105.8	132.1	-175.5	-40.4	173.4	0	0	0	110.9	A576 I582 F600 A603	A576-I606 HydrophobicContact CB-CD1 3.76Å; I582-I606 HydrophobicContact CB-CG2 4.44Å; I582-I606 HydrophobicContact CG2-CG2 3.83Å; F600-I606 HydrophobicContact CB-CD1 3.98Å; F600-I606 HydrophobicContact CD1-CD1 3.38Å; F600-I606 HydrophobicContact CE1-CD1 4.12Å; F600-I606 HydrophobicContact CG-CD1 3.92Å; A603-I606 HydrophobicContact CB-CD1 3.73Å; A603-I606 HydrophobicContact CB-CG1 3.93Å; A603-I606 PolarHBondContact O-N 2.97Å
607	N	94.2	Very high	90.6	Very high	97 Å²	97	61.2 Å²	61.2	52%	0.519	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	106	161.4	-175.4	18.7	0	0	0	109.8	Q580 T581 I582 V609	Q580-N607 PolarHBondContact O-N 3.11Å; T581-N607 WeakPolarHBondContact CA-O 3.33Å; I582-N607 PolarHBondContact N-O 3.27Å; N607-V609 PolarHBondContact O-N 3.1Å
608	M	93.6	Very high	90.2	Very high	18 Å²	18	61.3 Å²	61.3	9%	0.089	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	113.3	166.8	-71.5	-167.1	-72.4	0	0	108.9	I582 L584 F597 F600 E601 V611 I614	I582-M608 HydrophobicContact CG2-CB 4.45Å; I582-M608 HydrophobicContact CG2-CG 3.76Å; L584-M608 HydrophobicContact CD1-SD 4.4Å; F597-M608 HydrophobicContact CD2-CE 4.24Å; F597-M608 HydrophobicContact CD2-SD 4.28Å; F597-M608 HydrophobicContact CE2-CE 4.04Å; F597-M608 HydrophobicContact CE2-SD 4.4Å; F597-M608 HydrophobicContact CZ-CE 4.27Å; F600-M608 HydrophobicContact CB-CE 3.97Å; F600-M608 HydrophobicContact CB-CG 4.12Å; F600-M608 HydrophobicContact CB-SD 3.52Å; F600-M608 VanDerWaalsContact CB-SD 3.52Å; F600-M608 HydrophobicContact CD2-SD 3.99Å; F600-M608 HydrophobicContact CG-SD 4.26Å; E601-M608 HydrophobicContact CB-CE 4.09Å; M608-V611 HydrophobicContact CB-CG2 3.83Å; M608-V611 WeakPolarHBondContact O-CG2 3.38Å; M608-I614 HydrophobicContact SD-CD1 4.48Å
609	V	93.2	Very high	89.8	Confident	45 Å²	45	60 Å²	60	27%	0.273	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.9	-177.3	-175.2	0	0	0	0	110.4	T581 I582 F583 N607	T581-V609 HydrophobicContact CG2-CG2 3.54Å; I582-V609 PolarHBondContact O-N 2.83Å; F583-V609 HydrophobicContact CD1-CB 3.57Å; F583-V609 HydrophobicContact CD1-CG1 3.84Å; F583-V609 HydrophobicContact CD1-CG2 3.94Å; F583-V609 HydrophobicContact CE1-CB 3.7Å; F583-V609 HydrophobicContact CE1-CG1 3.69Å; F583-V609 HydrophobicContact CE1-CG2 3.67Å; F583-V609 HydrophobicContact CE2-CG2 4.43Å; F583-V609 HydrophobicContact CG-CB 4.24Å; F583-V609 HydrophobicContact CG-CG2 4.43Å; F583-V609 HydrophobicContact CZ-CB 4.45Å; F583-V609 HydrophobicContact CZ-CG2 3.93Å; N607-V609 PolarHBondContact O-N 3.1Å
610	A	89.3	Confident	89.2	Confident	39 Å²	39	64.2 Å²	64.2	32%	0.322	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	51.5	179.8	0	0	0	0	0	113.9	S612 D613	A610-S612 PolarHBondContact O-N 3.41Å; A610-D613 HydrophobicContact CB-CB 4.21Å; A610-D613 WeakPolarHBondContact O-CB 3.39Å; A610-D613 PolarHBondContact O-N 3.33Å
611	V	89.8	Confident	88.7	Confident	43 Å²	43	72 Å²	72	26%	0.261	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-52.3	-36.5	179.9	-170.1	0	0	0	0	113.2	F597 M608 D613 I614	F597-V611 HydrophobicContact CE2-CG1 3.76Å; F597-V611 HydrophobicContact CZ-CG1 3.6Å; M608-V611 HydrophobicContact CB-CG2 3.83Å; M608-V611 WeakPolarHBondContact O-CG2 3.38Å; V611-D613 PolarHBondContact O-N 3.38Å; V611-D613 VanDerWaalsContact O-N 3.15Å; V611-I614 WeakPolarHBondContact O-CB 3.38Å; V611-I614 PolarHBondContact O-N 3.36Å
612	S	88.8	Confident	88.4	Confident	56 Å²	56	69.5 Å²	69.5	39%	0.392	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-60.5	-18.8	176.1	49.8	0	0	0	0	114.9	A610 R625	A610-S612 PolarHBondContact O-N 3.41Å; S612-R625 WeakPolarHBondContact O-CD 3.47Å; S612-R625 PolarHBondContact O-NE 3.33Å
613	D	92	Very high	88.2	Confident	86 Å²	86	68.7 Å²	68.7	46%	0.46	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-110.4	8.8	-171.9	-48.2	0.4	0	0	0	110.2	S585 A610 V611 E615	S585-D613 WeakPolarHBondContact CB-O 3.44Å; A610-D613 HydrophobicContact CB-CB 4.21Å; A610-D613 WeakPolarHBondContact O-CB 3.39Å; A610-D613 PolarHBondContact O-N 3.33Å; V611-D613 PolarHBondContact O-N 3.38Å; V611-D613 VanDerWaalsContact O-N 3.15Å; D613-E615 PolarHBondContact O-N 3.12Å
614	I	92.8	Very high	88.3	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	37%	0.373	C	S	.	.			trans	-89.1	101.1	172.6	-58.2	-179.7	0	0	0	108	L584 F589 W596 F597 M608 V611 V626	L584-I614 HydrophobicContact CB-CD1 4.08Å; L584-I614 HydrophobicContact CB-CG1 4.4Å; L584-I614 HydrophobicContact CD1-CD1 4.4Å; F589-I614 HydrophobicContact CD2-CG2 4.3Å; F589-I614 HydrophobicContact CE2-CG2 4.28Å; W596-I614 HydrophobicContact CH2-CG2 3.86Å; F597-I614 HydrophobicContact CE2-CD1 4.35Å; M608-I614 HydrophobicContact SD-CD1 4.48Å; V611-I614 WeakPolarHBondContact O-CB 3.38Å; V611-I614 PolarHBondContact O-N 3.36Å; I614-V626 HydrophobicContact CG2-CB 4.23Å; I614-V626 HydrophobicContact CG2-CG2 3.89Å; I614-V626 PolarHBondContact O-N 3.22Å
615	E	92.7	Very high	88.8	Confident	98 Å²	98	66.5 Å²	66.5	46%	0.458	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	158.2	-179.1	-63.7	-177.4	155.4	0	0	112.2	D613 T623 H624	D613-E615 PolarHBondContact O-N 3.12Å; E615-T623 HydrophobicContact CB-CG2 3.7Å; E615-T623 HydrophobicContact CG-CG2 4.02Å; E615-T623 WeakPolarHBondContact OE2-CG2 3.38Å; E615-H624 CarbonylContact C-O 3.14Å; E615-H624 VanDerWaalsContact CA-O 3.27Å; E615-H624 WeakPolarHBondContact CA-O 3.45Å
616	C	92.3	Very high	89	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.007	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	160.3	168.3	66.5	0	0	0	0	110.4	F589 C591 T623 H624 V626	F589-C616 HydrophobicContact CB-CB 4.05Å; F589-C616 CarbonylContact O-C 3.24Å; F589-C616 WeakPolarHBondContact O-CA 3.3Å; F589-C616 VanDerWaalsContact O-CB 3.26Å; F589-C616 WeakPolarHBondContact O-CB 3.14Å; C591-C616 WeakPolarHBondContact CA-SG 3.32Å; C591-C616 HydrophobicContact CB-CB 3.95Å; C591-C616 WeakPolarHBondContact CB-SG 3.28Å; C591-C616 WeakPolarHBondContact SG-CB 3.38Å; C591-C616 PolarHBondContact SG-O 3.33Å; C591-C616 CovalentContact SG-SG 2.04Å; C591-C616 PolarHBondContact SG-SG 3.01Å; C616-T623 CarbonylContact O-C 3.55Å; C616-T623 WeakPolarHBondContact O-CA 3.25Å; C616-H624 PolarHBondContact N-O 2.97Å; C616-H624 PolarHBondContact O-N 3.07Å; C616-V626 HydrophobicContact CB-CG2 3.73Å
617	Q	90	Very high	88.6	Confident	85 Å²	85	66.2 Å²	66.2	40%	0.397	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	140.1	174.1	-66.6	-178.9	-23.1	0	0	110.1	F589 C591 T622	F589-Q617 PolarHBondContact O-N 2.84Å; C591-Q617 PolarHBondContact N-O 3.2Å; Q617-T622 WeakPolarHBondContact CA-O 3.08Å
618	D	85.2	Confident	87.9	Confident	9 Å²	9	66.1 Å²	66.1	5%	0.048	34%	0.344	C	S	.	.			trans	-92.5	-178.6	172.4	81.9	-13.9	0	0	0	112.3	L620 Q621 T622 H624	D618-L620 PolarHBondContact O-N 3.07Å; D618-L620 VanDerWaalsContact O-N 3.13Å; D618-L620 WeakPolarHBondContact OD1-CA 3.23Å; D618-L620 WeakPolarHBondContact OD1-CB 3.25Å; D618-L620 PolarHBondContact OD1-N 3.07Å; D618-Q621 PolarHBondContact O-N 2.88Å; D618-Q621 PolarHBondContact OD1-N 2.79Å; D618-T622 PolarHBondContact N-O 3.29Å; D618-T622 PolarHBondContact OD1-N 2.87Å; D618-T622 PolarHBondContact OD1-OG1 2.65Å; D618-T622 PolarHBondContact OD2-OG1 2.83Å; D618-T622 VanDerWaalsContact OD2-OG1 3.08Å; D618-H624 IonicContact OD2-NE2 3.57Å
619	I	81.5	Confident	86.3	Confident	105 Å²	105	69 Å²	69	54%	0.538	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-12	-177.4	-156.9	162.4	0	0	0	113.9	Y633 L635	I619-Y633 VanDerWaalsContact CG2-O 3.27Å; I619-Y633 WeakPolarHBondContact CG2-O 3.08Å; I619-L635 HydrophobicContact CD1-CD1 3.83Å; I619-L635 HydrophobicContact CD1-CG 4.31Å
620	L	82.1	Confident	84.6	Confident	116 Å²	116	75.3 Å²	75.3	61%	0.607	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	7.6	174.4	-57.3	177.5	0	0	0	112.2	D618 T622 Y633	D618-L620 PolarHBondContact O-N 3.07Å; D618-L620 VanDerWaalsContact O-N 3.13Å; D618-L620 WeakPolarHBondContact OD1-CA 3.23Å; D618-L620 WeakPolarHBondContact OD1-CB 3.25Å; D618-L620 PolarHBondContact OD1-N 3.07Å; L620-T622 HydrophobicContact CB-CG2 4.22Å; L620-T622 PolarHBondContact O-N 3.1Å; L620-Y633 HydrophobicContact CD1-CD2 4.42Å
621	Q	81.8	Confident	83	Confident	165 Å²	165	82.6 Å²	82.6	77%	0.771	41%	0.411	S	S	*	.			trans	59.4	21.7	-172.2	-56.3	-176.1	-16.8	0	0	113.6	D618	D618-Q621 PolarHBondContact O-N 2.88Å; D618-Q621 PolarHBondContact OD1-N 2.79Å
622	T	85.1	Confident	82	Confident	63 Å²	63	82.6 Å²	82.6	39%	0.387	41%	0.408	S	S	.	.			trans	-84.2	132.7	173.5	63	0	0	0	0	109.7	Q617 D618 L620 H624	Q617-T622 WeakPolarHBondContact CA-O 3.08Å; D618-T622 PolarHBondContact N-O 3.29Å; D618-T622 PolarHBondContact OD1-N 2.87Å; D618-T622 PolarHBondContact OD1-OG1 2.65Å; D618-T622 PolarHBondContact OD2-OG1 2.83Å; D618-T622 VanDerWaalsContact OD2-OG1 3.08Å; L620-T622 HydrophobicContact CB-CG2 4.22Å; L620-T622 PolarHBondContact O-N 3.1Å; T622-H624 PolarHBondContact O-CD2 3.27Å; T622-H624 PolarHBondContact OG1-NE2 2.96Å
623	T	87.4	Confident	80.7	Confident	70 Å²	70	87 Å²	87	43%	0.429	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130	-179.4	-53.1	0	0	0	0	110.5	E615 C616	E615-T623 HydrophobicContact CB-CG2 3.7Å; E615-T623 HydrophobicContact CG-CG2 4.02Å; E615-T623 WeakPolarHBondContact OE2-CG2 3.38Å; C616-T623 CarbonylContact O-C 3.55Å; C616-T623 WeakPolarHBondContact O-CA 3.25Å
624	H	88.8	Confident	79.6	Confident	57 Å²	57	85.8 Å²	85.8	26%	0.264	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	159.7	176.5	-55.7	-90.7	0	0	0	109.6	E615 C616 D618 T622 F632	E615-H624 CarbonylContact C-O 3.14Å; E615-H624 VanDerWaalsContact CA-O 3.27Å; E615-H624 WeakPolarHBondContact CA-O 3.45Å; C616-H624 PolarHBondContact N-O 2.97Å; C616-H624 PolarHBondContact O-N 3.07Å; D618-H624 IonicContact OD2-NE2 3.57Å; T622-H624 PolarHBondContact O-CD2 3.27Å; T622-H624 PolarHBondContact OG1-NE2 2.96Å; H624-F632 HydrophobicContact CB-CD1 4.38Å; H624-F632 HydrophobicContact CB-CE1 3.82Å
625	R	89.2	Confident	78	Confident	124 Å²	124	92.6 Å²	92.6	47%	0.468	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	139.6	166.1	-72	173.7	165.8	149.3	1	109.8	S612 Q627 D628	S612-R625 WeakPolarHBondContact O-CD 3.47Å; S612-R625 PolarHBondContact O-NE 3.33Å; R625-Q627 PolarHBondContact O-N 2.86Å; R625-D628 HydrophobicContact CB-CB 4.25Å; R625-D628 WeakPolarHBondContact CB-OD2 3.37Å; R625-D628 WeakPolarHBondContact CD-OD2 3.5Å; R625-D628 PolarHBondContact O-N 3.25Å; R625-D628 VanDerWaalsContact O-N 3.1Å
626	V	87.1	Confident	75.9	Confident	7 Å²	7	96.8 Å²	96.8	4%	0.042	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.8	-179.4	177.3	0	0	0	0	112.3	T594 F597 I614 C616	T594-V626 HydrophobicContact CG2-CG1 3.81Å; T594-V626 HydrophobicContact CG2-CG2 4.31Å; F597-V626 HydrophobicContact CB-CG1 3.7Å; F597-V626 HydrophobicContact CD1-CG1 3.88Å; F597-V626 HydrophobicContact CD2-CB 4.1Å; F597-V626 HydrophobicContact CD2-CG1 3.44Å; F597-V626 VanDerWaalsContact CD2-CG1 3.44Å; F597-V626 HydrophobicContact CE1-CG1 4.35Å; F597-V626 HydrophobicContact CE2-CB 4.21Å; F597-V626 HydrophobicContact CE2-CG1 3.94Å; F597-V626 HydrophobicContact CG-CB 4.48Å; F597-V626 HydrophobicContact CG-CG1 3.39Å; F597-V626 HydrophobicContact CZ-CG1 4.37Å; I614-V626 HydrophobicContact CG2-CB 4.23Å; I614-V626 HydrophobicContact CG2-CG2 3.89Å; I614-V626 PolarHBondContact O-N 3.22Å; C616-V626 HydrophobicContact CB-CG2 3.73Å
627	Q	84.5	Confident	73.9	Confident	105 Å²	105	102.5 Å²	102.5	49%	0.491	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-27.9	176.4	-169.1	173.5	2.7	0	0	113.5	F597 R625 S629	F597-Q627 HydrophobicContact CZ-CB 4.41Å; R625-Q627 PolarHBondContact O-N 2.86Å; Q627-S629 PolarHBondContact O-N 3.1Å
628	D	78.4	Confident	71.9	Confident	95 Å²	95	101 Å²	101	51%	0.508	53%	0.525	S	S	.	.			trans	-84.5	57.4	-172.8	-66.3	-23.4	0	0	0	111.2	R625 E630	R625-D628 HydrophobicContact CB-CB 4.25Å; R625-D628 WeakPolarHBondContact CB-OD2 3.37Å; R625-D628 WeakPolarHBondContact CD-OD2 3.5Å; R625-D628 PolarHBondContact O-N 3.25Å; R625-D628 VanDerWaalsContact O-N 3.1Å; D628-E630 VanDerWaalsContact C-N 3.26Å; D628-E630 PolarHBondContact O-N 3.12Å
629	S	60	Low	70.1	Confident	80 Å²	80	106.8 Å²	106.8	56%	0.559	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	8.7	-159.2	63.8	0	0	0	0	118.5	Q627	Q627-S629 PolarHBondContact O-N 3.1Å
630	E	57.4	Low	68.8	Low	176 Å²	176	105.2 Å²	105.2	82%	0.822	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-30.9	-165.4	-68.1	-152.2	151.3	0	0	115.8	D628	D628-E630 VanDerWaalsContact C-N 3.26Å; D628-E630 PolarHBondContact O-N 3.12Å
631	R	57	Low	67.8	Low	192 Å²	192	105.8 Å²	105.8	73%	0.725	55%	0.552	S	S	*	*			trans	-150	72	-174.2	-63.3	-170.6	-172	177.9	5	115.3
632	F	67.9	Low	66.7	Low	43 Å²	43	103.1 Å²	103.1	19%	0.189	54%	0.543	C	S	.	.			trans	-84.4	127.4	166.2	-54.3	-42.6	0	0	0	111.2	C591 H624 C634	C591-F632 HydrophobicContact CB-CB 4.08Å; C591-F632 HydrophobicContact CB-CD1 3.7Å; C591-F632 HydrophobicContact CB-CD2 4.04Å; C591-F632 HydrophobicContact CB-CE1 4.11Å; C591-F632 HydrophobicContact CB-CE2 4.41Å; C591-F632 HydrophobicContact CB-CG 3.67Å; C591-F632 HydrophobicContact CB-CZ 4.45Å; H624-F632 HydrophobicContact CB-CD1 4.38Å; H624-F632 HydrophobicContact CB-CE1 3.82Å; F632-C634 PolarHBondContact O-N 3.37Å
633	Y	62.3	Low	65.5	Low	149 Å²	149	108.4 Å²	108.4	58%	0.584	56%	0.556	S	S	*	*			trans	-79.6	85.6	175.7	-72.2	-76.2	0	0	0	111.2	I619 L620	I619-Y633 VanDerWaalsContact CG2-O 3.27Å; I619-Y633 WeakPolarHBondContact CG2-O 3.08Å; L620-Y633 HydrophobicContact CD1-CD2 4.42Å
634	C	67.7	Low	64.5	Low	60 Å²	60	111.6 Å²	111.6	41%	0.405	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-101.8	125.2	178.2	-60.9	0	0	0	0	111.4	C592 F632	C592-C634 WeakPolarHBondContact CA-SG 3.31Å; C592-C634 HydrophobicContact CB-CB 3.88Å; C592-C634 WeakPolarHBondContact CB-SG 3.43Å; C592-C634 WeakPolarHBondContact SG-CA 3.45Å; C592-C634 WeakPolarHBondContact SG-CB 3.48Å; C592-C634 CovalentContact SG-SG 2.03Å; C592-C634 PolarHBondContact SG-SG 2.89Å; F632-C634 PolarHBondContact O-N 3.37Å
635	L	58.9	Low	63.6	Low	145 Å²	145	113.1 Å²	113.1	76%	0.759	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-72.5	124.5	161.3	-81.3	171.8	0	0	0	108.4	I619 A637	I619-L635 HydrophobicContact CD1-CD1 3.83Å; I619-L635 HydrophobicContact CD1-CG 4.31Å; L635-A637 PolarHBondContact O-N 2.7Å
636	E	50.4	Low	62.7	Low	185 Å²	185	112.4 Å²	112.4	86%	0.864	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-61.1	134.5	167.2	-68.9	-172.2	125.2	0	0	109.5	G638	E636-G638 PolarHBondContact O-N 2.75Å
637	A	49.9	Very low	62	Low	121 Å²	121	118 Å²	118	100%	1	60%	0.604	S	S	*	*	S	Bend	trans	-77.9	56.9	174.3	0	0	0	0	0	110.9	L635	L635-A637 PolarHBondContact O-N 2.7Å
638	G	47.3	Very low	61.5	Low	55 Å²	55	117.7 Å²	117.7	57%	0.567	61%	0.605	S	S	*	*			trans	-134.3	117.2	-176.4	0	0	0	0	0	111.6	E636	E636-G638 PolarHBondContact O-N 2.75Å
639	E	47	Very low	61.5	Low	129 Å²	129	117.8 Å²	117.8	60%	0.603	61%	0.605	S	S	*	*			trans	49.6	110.5	172.9	-57.6	-161.6	152.8	0	0	118.2	I641 Y644	E639-I641 PolarHBondContact O-N 3.14Å; E639-Y644 HydrophobicContact CB-CE2 4.34Å; E639-Y644 WeakPolarHBondContact OE2-CE2 3.19Å; E639-Y644 PolarHBondContact OE2-OH 2.84Å
640	S	55.4	Low	62.4	Low	72 Å²	72	117.8 Å²	117.8	50%	0.503	60%	0.603	S	S	.	*			trans	-63.7	133.6	166.8	-175.2	0	0	0	0	111.3	L642 W643	S640-L642 PolarHBondContact O-N 3.31Å; S640-W643 PolarHBondContact O-N 2.93Å
641	I	59.6	Low	63.5	Low	128 Å²	128	113.4 Å²	113.4	66%	0.656	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.1	-24	172.9	-73.5	170.8	0	0	0	113.1	E639 W643 Y644 I645	E639-I641 PolarHBondContact O-N 3.14Å; I641-W643 PolarHBondContact O-N 3.44Å; I641-Y644 PolarHBondContact O-N 3.43Å; I641-Y644 VanDerWaalsContact O-N 3.13Å; I641-I645 HydrophobicContact CG2-CD1 3.87Å; I641-I645 HydrophobicContact CG2-CG1 4.21Å; I641-I645 WeakPolarHBondContact O-CG1 3.33Å; I641-I645 PolarHBondContact O-N 3.43Å; I641-I645 VanDerWaalsContact O-N 3.09Å
642	L	58.4	Low	64.5	Low	110 Å²	110	107.6 Å²	107.6	58%	0.576	57%	0.573	S	S	*	*	H	α-helix	trans	-51.4	-34.2	170.9	-81.3	164.1	0	0	0	114	S640 I645 L646	S640-L642 PolarHBondContact O-N 3.31Å; L642-I645 PolarHBondContact O-N 3.23Å; L642-L646 WeakPolarHBondContact O-CB 3.41Å; L642-L646 WeakPolarHBondContact O-CG 3.41Å; L642-L646 PolarHBondContact O-N 3.13Å
643	W	60.6	Low	65.1	Low	173 Å²	173	111 Å²	111	66%	0.655	59%	0.592	S	S	*	*	H	α-helix	trans	-65.5	-44.7	176.5	-92.8	104.3	0	0	0	112.4	S640 I641 I645 L646 L647	S640-W643 PolarHBondContact O-N 2.93Å; I641-W643 PolarHBondContact O-N 3.44Å; W643-I645 VanDerWaalsContact C-N 3.32Å; W643-I645 PolarHBondContact O-N 3.18Å; W643-L646 PolarHBondContact O-N 3.26Å; W643-L647 WeakPolarHBondContact O-CB 3.4Å; W643-L647 PolarHBondContact O-N 2.87Å
644	Y	67.2	Low	66	Low	137 Å²	137	110.9 Å²	110.9	54%	0.537	60%	0.595	S	S	.	*	H	α-helix	trans	-65.1	-37.6	176.9	-65.4	-91.1	0	0	0	111.4	E639 I641 L647 L648	E639-Y644 HydrophobicContact CB-CE2 4.34Å; E639-Y644 WeakPolarHBondContact OE2-CE2 3.19Å; E639-Y644 PolarHBondContact OE2-OH 2.84Å; I641-Y644 PolarHBondContact O-N 3.43Å; I641-Y644 VanDerWaalsContact O-N 3.13Å; Y644-L647 PolarHBondContact O-N 3.29Å; Y644-L648 WeakPolarHBondContact O-CB 3.35Å; Y644-L648 WeakPolarHBondContact O-CG 3.29Å; Y644-L648 PolarHBondContact O-N 3.28Å
645	I	69.3	Low	66.5	Low	90 Å²	90	112.8 Å²	112.8	46%	0.462	60%	0.601	S	S	.	*	H	α-helix	trans	-64	-46.8	173.2	-65	171.4	0	0	0	111	I641 L642 W643 L647 L648 L649	I641-I645 HydrophobicContact CG2-CD1 3.87Å; I641-I645 HydrophobicContact CG2-CG1 4.21Å; I641-I645 WeakPolarHBondContact O-CG1 3.33Å; I641-I645 PolarHBondContact O-N 3.43Å; I641-I645 VanDerWaalsContact O-N 3.09Å; L642-I645 PolarHBondContact O-N 3.23Å; W643-I645 VanDerWaalsContact C-N 3.32Å; W643-I645 PolarHBondContact O-N 3.18Å; I645-L647 VanDerWaalsContact C-N 3.29Å; I645-L647 PolarHBondContact O-N 3.01Å; I645-L648 PolarHBondContact O-N 3.48Å; I645-L649 WeakPolarHBondContact O-CB 3.21Å; I645-L649 PolarHBondContact O-N 2.99Å
646	L	71.3	Confident	67.4	Low	109 Å²	109	109.4 Å²	109.4	57%	0.571	59%	0.586	S	S	*	*	H	α-helix	trans	-62.5	-32.9	177.6	-83.5	163.9	0	0	0	113	L642 W643 P650	L642-L646 WeakPolarHBondContact O-CB 3.41Å; L642-L646 WeakPolarHBondContact O-CG 3.41Å; L642-L646 PolarHBondContact O-N 3.13Å; W643-L646 PolarHBondContact O-N 3.26Å; L646-P650 VanDerWaalsContact O-CD 3.23Å; L646-P650 WeakPolarHBondContact O-CD 3.33Å
647	L	72.4	Confident	68.8	Low	123 Å²	123	102.1 Å²	102.1	64%	0.644	56%	0.56	S	S	*	*	H	α-helix	trans	-80.4	-30.2	179.8	-157.2	149.2	0	0	0	112.4	W643 Y644 I645	W643-L647 WeakPolarHBondContact O-CB 3.4Å; W643-L647 PolarHBondContact O-N 2.87Å; Y644-L647 PolarHBondContact O-N 3.29Å; I645-L647 VanDerWaalsContact C-N 3.29Å; I645-L647 PolarHBondContact O-N 3.01Å
648	L	73.6	Confident	70.2	Confident	99 Å²	99	100.1 Å²	100.1	52%	0.518	53%	0.532	S	S	.	.	H	α-helix	trans	-80.8	-28.8	174.4	-78.5	163.4	0	0	0	113.9	Y644 I645 I651 C652	Y644-L648 WeakPolarHBondContact O-CB 3.35Å; Y644-L648 WeakPolarHBondContact O-CG 3.29Å; Y644-L648 PolarHBondContact O-N 3.28Å; I645-L648 PolarHBondContact O-N 3.48Å; L648-I651 WeakPolarHBondContact O-CB 3.42Å; L648-I651 PolarHBondContact O-N 3.09Å; L648-I651 VanDerWaalsContact O-N 3.11Å; L648-C652 PolarHBondContact O-N 3.14Å
649	L	78.7	Confident	71.4	Confident	97 Å²	97	100.9 Å²	100.9	51%	0.508	53%	0.529	S	S	.	.	H	α-helix	trans	-54.5	-45.7	-176.2	-154.3	79.2	0	0	0	113.9	I645 I651 C652 L653	I645-L649 WeakPolarHBondContact O-CB 3.21Å; I645-L649 PolarHBondContact O-N 2.99Å; L649-I651 VanDerWaalsContact C-N 3.32Å; L649-I651 PolarHBondContact O-N 2.98Å; L649-C652 PolarHBondContact O-N 3.36Å; L649-L653 HydrophobicContact CG-CD1 4.32Å; L649-L653 VanDerWaalsContact O-CG 3.31Å; L649-L653 WeakPolarHBondContact O-CG 3.39Å; L649-L653 PolarHBondContact O-N 3.01Å
650	P	77.9	Confident	72.8	Confident	80 Å²	80	99.6 Å²	99.6	52%	0.519	53%	0.525	S	S	.	.	H	α-helix	trans	-65.2	-34.8	178.3	-20.5	33.8	0	0	0	112.8	L646 L653 F654	L646-P650 VanDerWaalsContact O-CD 3.23Å; L646-P650 WeakPolarHBondContact O-CD 3.33Å; P650-L653 PolarHBondContact O-N 3.33Å; P650-F654 WeakPolarHBondContact O-CB 3.07Å; P650-F654 PolarHBondContact O-N 3.01Å
651	I	80.4	Confident	73.7	Confident	85 Å²	85	100.5 Å²	100.5	44%	0.436	53%	0.527	S	S	.	.	H	α-helix	trans	-68.3	-45.1	180	-56.3	175.1	0	0	0	109.5	L648 L649 L653 F654 L655	L648-I651 WeakPolarHBondContact O-CB 3.42Å; L648-I651 PolarHBondContact O-N 3.09Å; L648-I651 VanDerWaalsContact O-N 3.11Å; L649-I651 VanDerWaalsContact C-N 3.32Å; L649-I651 PolarHBondContact O-N 2.98Å; I651-L653 PolarHBondContact O-N 2.88Å; I651-F654 PolarHBondContact O-N 3.37Å; I651-L655 HydrophobicContact CG2-CD1 4.07Å; I651-L655 WeakPolarHBondContact O-CB 3.39Å; I651-L655 WeakPolarHBondContact O-CG 3.23Å; I651-L655 PolarHBondContact O-N 3.14Å
652	C	77.8	Confident	74.3	Confident	70 Å²	70	97.6 Å²	97.6	47%	0.473	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-39.4	174.7	-68.6	0	0	0	0	112.7	L648 L649 T656	L648-C652 PolarHBondContact O-N 3.14Å; L649-C652 PolarHBondContact O-N 3.36Å; C652-T656 WeakPolarHBondContact O-CB 3.48Å; C652-T656 WeakPolarHBondContact O-CG2 3.33Å; C652-T656 PolarHBondContact O-N 3.23Å; C652-T656 PolarHBondContact O-OG1 3.14Å
653	L	81.1	Confident	74.8	Confident	113 Å²	113	97.8 Å²	97.8	59%	0.592	51%	0.512	S	S	*	.	H	α-helix	trans	-66.5	-36.5	174.2	-71.7	169	0	0	0	112.4	L649 P650 I651 T656 G657	L649-L653 HydrophobicContact CG-CD1 4.32Å; L649-L653 VanDerWaalsContact O-CG 3.31Å; L649-L653 WeakPolarHBondContact O-CG 3.39Å; L649-L653 PolarHBondContact O-N 3.01Å; P650-L653 PolarHBondContact O-N 3.33Å; I651-L653 PolarHBondContact O-N 2.88Å; L653-T656 WeakPolarHBondContact CA-OG1 3.15Å; L653-T656 PolarHBondContact O-OG1 2.04Å; L653-T656 VanDerWaalsContact O-OG1 3.12Å; L653-G657 PolarHBondContact O-N 3.41Å
654	F	80.6	Confident	75.1	Confident	148 Å²	148	94.3 Å²	94.3	65%	0.649	51%	0.506	S	S	*	.	H	α-helix	trans	-69.3	-45.3	176	-169.6	-110	0	0	0	112.1	P650 I651 G657 I658	P650-F654 WeakPolarHBondContact O-CB 3.07Å; P650-F654 PolarHBondContact O-N 3.01Å; I651-F654 PolarHBondContact O-N 3.37Å; F654-G657 PolarHBondContact O-N 2.85Å; F654-I658 HydrophobicContact CD1-CD1 3.78Å; F654-I658 HydrophobicContact CE1-CD1 3.53Å; F654-I658 HydrophobicContact CZ-CD1 4.07Å; F654-I658 WeakPolarHBondContact O-CG1 3.34Å; F654-I658 PolarHBondContact O-N 2.94Å
655	L	79.3	Confident	75.1	Confident	99 Å²	99	92.1 Å²	92.1	52%	0.518	51%	0.506	S	S	.	.	H	α-helix	trans	-65.3	-38.7	177.3	-70.8	170.3	0	0	0	112.8	I651 I658 S659	I651-L655 HydrophobicContact CG2-CD1 4.07Å; I651-L655 WeakPolarHBondContact O-CB 3.39Å; I651-L655 WeakPolarHBondContact O-CG 3.23Å; I651-L655 PolarHBondContact O-N 3.14Å; L655-I658 PolarHBondContact O-N 3.29Å; L655-S659 WeakPolarHBondContact O-CB 3.38Å; L655-S659 PolarHBondContact O-N 3.24Å; L655-S659 PolarHBondContact O-OG 3.47Å
656	T	78.2	Confident	74.8	Confident	75 Å²	75	97.1 Å²	97.1	46%	0.46	52%	0.521	S	S	.	.	H	α-helix	trans	-69.5	-37.3	173.4	48.6	0	0	0	0	111.7	C652 L653 S659 I660	C652-T656 WeakPolarHBondContact O-CB 3.48Å; C652-T656 WeakPolarHBondContact O-CG2 3.33Å; C652-T656 PolarHBondContact O-N 3.23Å; C652-T656 PolarHBondContact O-OG1 3.14Å; L653-T656 WeakPolarHBondContact CA-OG1 3.15Å; L653-T656 PolarHBondContact O-OG1 2.04Å; L653-T656 VanDerWaalsContact O-OG1 3.12Å; T656-S659 WeakPolarHBondContact O-CB 3.06Å; T656-S659 PolarHBondContact O-N 2.79Å; T656-I660 VanDerWaalsContact O-CG1 3.32Å; T656-I660 WeakPolarHBondContact O-CG1 3.29Å; T656-I660 PolarHBondContact O-N 3.18Å
657	G	78.4	Confident	74.2	Confident	31 Å²	31	98 Å²	98	32%	0.32	52%	0.52	S	S	.	.	H	α-helix	trans	-57.5	-48.2	170.8	0	0	0	0	0	112.9	L653 F654 S659 I660 V661	L653-G657 PolarHBondContact O-N 3.41Å; F654-G657 PolarHBondContact O-N 2.85Å; G657-S659 VanDerWaalsContact C-N 3.32Å; G657-S659 PolarHBondContact O-N 2.83Å; G657-I660 PolarHBondContact O-N 3.46Å; G657-V661 WeakPolarHBondContact O-CG2 3.25Å; G657-V661 PolarHBondContact O-N 3.25Å
658	I	79.7	Confident	73.4	Confident	80 Å²	80	96.7 Å²	96.7	41%	0.41	52%	0.519	S	S	.	.	H	α-helix	trans	-59.9	-41.8	174.3	-70.6	168.2	0	0	0	111.4	F654 L655 I660 V661 T662	F654-I658 HydrophobicContact CD1-CD1 3.78Å; F654-I658 HydrophobicContact CE1-CD1 3.53Å; F654-I658 HydrophobicContact CZ-CD1 4.07Å; F654-I658 WeakPolarHBondContact O-CG1 3.34Å; F654-I658 PolarHBondContact O-N 2.94Å; L655-I658 PolarHBondContact O-N 3.29Å; I658-I660 PolarHBondContact O-N 3.06Å; I658-V661 PolarHBondContact O-N 3.23Å; I658-T662 WeakPolarHBondContact O-CB 3.45Å; I658-T662 WeakPolarHBondContact O-CG2 3.47Å; I658-T662 PolarHBondContact O-N 2.92Å; I658-T662 PolarHBondContact O-OG1 2.85Å
659	S	72.1	Confident	72.6	Confident	71 Å²	71	101.2 Å²	101.2	50%	0.497	54%	0.535	S	S	.	.	H	α-helix	trans	-64.5	-37.3	177.9	-58.4	0	0	0	0	112.5	L655 T656 G657 T662 F663	L655-S659 WeakPolarHBondContact O-CB 3.38Å; L655-S659 PolarHBondContact O-N 3.24Å; L655-S659 PolarHBondContact O-OG 3.47Å; T656-S659 WeakPolarHBondContact O-CB 3.06Å; T656-S659 PolarHBondContact O-N 2.79Å; G657-S659 VanDerWaalsContact C-N 3.32Å; G657-S659 PolarHBondContact O-N 2.83Å; S659-T662 WeakPolarHBondContact CA-OG1 3.35Å; S659-T662 PolarHBondContact O-OG1 2.99Å; S659-T662 VanDerWaalsContact O-OG1 3.13Å; S659-F663 VanDerWaalsContact O-CB 3.26Å; S659-F663 WeakPolarHBondContact O-CB 3.47Å; S659-F663 PolarHBondContact O-N 2.95Å
660	I	76.1	Confident	71.4	Confident	102 Å²	102	101.1 Å²	101.1	52%	0.523	53%	0.534	S	S	.	.	H	α-helix	trans	-70.1	-45.2	175.7	-69.5	163.4	0	0	0	110.8	T656 G657 I658 T662 F663 L664	T656-I660 VanDerWaalsContact O-CG1 3.32Å; T656-I660 WeakPolarHBondContact O-CG1 3.29Å; T656-I660 PolarHBondContact O-N 3.18Å; G657-I660 PolarHBondContact O-N 3.46Å; I658-I660 PolarHBondContact O-N 3.06Å; I660-T662 PolarHBondContact O-N 2.68Å; I660-F663 PolarHBondContact O-N 3Å; I660-L664 HydrophobicContact CG2-CD1 3.81Å; I660-L664 HydrophobicContact CG2-CG 4.43Å; I660-L664 WeakPolarHBondContact O-CB 3.27Å; I660-L664 VanDerWaalsContact O-CG 3.29Å; I660-L664 WeakPolarHBondContact O-CG 3.22Å; I660-L664 PolarHBondContact O-N 2.87Å
661	V	76.2	Confident	70.1	Confident	90 Å²	90	102.8 Å²	102.8	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-63.4	-41.6	178.5	171.5	0	0	0	0	111.6	G657 I658 L664 T665	G657-V661 WeakPolarHBondContact O-CG2 3.25Å; G657-V661 PolarHBondContact O-N 3.25Å; I658-V661 PolarHBondContact O-N 3.23Å; V661-L664 PolarHBondContact O-N 2.89Å; V661-T665 PolarHBondContact O-N 3.25Å; V661-T665 PolarHBondContact O-OG1 3.21Å
662	T	71.8	Confident	68.7	Low	67 Å²	67	106.9 Å²	106.9	41%	0.411	56%	0.555	S	S	.	*	H	α-helix	trans	-68.4	-39.3	175.6	47.4	0	0	0	0	112.4	I658 S659 I660 L664 T665 Y666	I658-T662 WeakPolarHBondContact O-CB 3.45Å; I658-T662 WeakPolarHBondContact O-CG2 3.47Å; I658-T662 PolarHBondContact O-N 2.92Å; I658-T662 PolarHBondContact O-OG1 2.85Å; S659-T662 WeakPolarHBondContact CA-OG1 3.35Å; S659-T662 PolarHBondContact O-OG1 2.99Å; S659-T662 VanDerWaalsContact O-OG1 3.13Å; I660-T662 PolarHBondContact O-N 2.68Å; T662-L664 PolarHBondContact O-N 3.48Å; T662-T665 WeakPolarHBondContact CA-OG1 3.44Å; T662-T665 PolarHBondContact O-N 3.13Å; T662-T665 PolarHBondContact O-OG1 3.27Å; T662-Y666 WeakPolarHBondContact O-CD2 3.48Å; T662-Y666 PolarHBondContact O-N 3.4Å
663	F	68.4	Low	67.4	Low	115 Å²	115	108.7 Å²	108.7	50%	0.504	56%	0.564	S	S	.	*	H	α-helix	trans	-62	-43.9	174.2	-173.4	-93.3	0	0	0	112.3	S659 I660 K667 L670	S659-F663 VanDerWaalsContact O-CB 3.26Å; S659-F663 WeakPolarHBondContact O-CB 3.47Å; S659-F663 PolarHBondContact O-N 2.95Å; I660-F663 PolarHBondContact O-N 3Å; F663-K667 PolarHBondContact O-N 3.42Å; F663-K667 VanDerWaalsContact O-N 3.13Å; F663-L670 HydrophobicContact CZ-CD1 4.48Å
664	L	66.4	Low	65.9	Low	100 Å²	100	108.1 Å²	108.1	52%	0.524	57%	0.57	S	S	.	*	H	α-helix	trans	-67.7	-37.9	179.1	-72.4	170.6	0	0	0	113.1	I660 V661 T662	I660-L664 HydrophobicContact CG2-CD1 3.81Å; I660-L664 HydrophobicContact CG2-CG 4.43Å; I660-L664 WeakPolarHBondContact O-CB 3.27Å; I660-L664 VanDerWaalsContact O-CG 3.29Å; I660-L664 WeakPolarHBondContact O-CG 3.22Å; I660-L664 PolarHBondContact O-N 2.87Å; V661-L664 PolarHBondContact O-N 2.89Å; T662-L664 PolarHBondContact O-N 3.48Å
665	T	66.8	Low	64.5	Low	90 Å²	90	107.8 Å²	107.8	55%	0.552	57%	0.573	S	S	*	*	H	α-helix	trans	-73.8	-37.5	178.6	42	0	0	0	0	113	V661 T662	V661-T665 PolarHBondContact O-N 3.25Å; V661-T665 PolarHBondContact O-OG1 3.21Å; T662-T665 WeakPolarHBondContact CA-OG1 3.44Å; T662-T665 PolarHBondContact O-N 3.13Å; T662-T665 PolarHBondContact O-OG1 3.27Å
666	Y	64	Low	62.9	Low	196 Å²	196	112.5 Å²	112.5	77%	0.769	59%	0.589	S	S	*	*	H	α-helix	trans	-94.5	-12.1	-174.4	-76.7	-91.3	0	0	0	115.7	T662	T662-Y666 WeakPolarHBondContact O-CD2 3.48Å; T662-Y666 PolarHBondContact O-N 3.4Å
667	K	58.5	Low	61.2	Low	127 Å²	127	118.6 Å²	118.6	55%	0.552	61%	0.61	S	S	*	*			trans	-134.9	58.2	176.8	-68.9	-165.8	178.5	-179.4	0	115.7	F663 K669 L670	F663-K667 PolarHBondContact O-N 3.42Å; F663-K667 VanDerWaalsContact O-N 3.13Å; K667-K669 PolarHBondContact O-N 3.46Å; K667-K669 VanDerWaalsContact O-N 3.09Å; K667-L670 HydrophobicContact CB-CD1 4.37Å; K667-L670 HydrophobicContact CD-CD1 3.88Å; K667-L670 PolarHBondContact O-N 2.86Å
668	P	55.6	Low	59.4	Low	96 Å²	96	124.4 Å²	124.4	62%	0.623	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-60.5	-22.9	177.8	25.1	-35.2	0	0	0	114.6	L670	P668-L670 VanDerWaalsContact C-N 3.34Å; P668-L670 PolarHBondContact O-N 3.11Å
669	K	56	Low	57.4	Low	194 Å²	194	129 Å²	129	84%	0.843	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-79	-3.7	-176.4	-70.7	-172.5	175.8	-179.3	0	115.7	K667	K667-K669 PolarHBondContact O-N 3.46Å; K667-K669 VanDerWaalsContact O-N 3.09Å
670	L	54.1	Low	56	Low	94 Å²	94	133.2 Å²	133.2	49%	0.492	66%	0.656	S	S	.	*	G	3₁₀ helix	trans	-89.1	-17	177.5	-83.9	171.3	0	0	0	114.6	F663 K667 P668 Q672 T673	F663-L670 HydrophobicContact CZ-CD1 4.48Å; K667-L670 HydrophobicContact CB-CD1 4.37Å; K667-L670 HydrophobicContact CD-CD1 3.88Å; K667-L670 PolarHBondContact O-N 2.86Å; P668-L670 VanDerWaalsContact C-N 3.34Å; P668-L670 PolarHBondContact O-N 3.11Å; L670-Q672 PolarHBondContact O-N 2.85Å; L670-T673 PolarHBondContact O-OG1 3.49Å
671	L	51.9	Low	54.3	Low	115 Å²	115	137.7 Å²	137.7	60%	0.602	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-20	-176	-128.4	75.5	0	0	0	114	T673	L671-T673 PolarHBondContact O-N 3.1Å
672	Q	50.3	Low	53	Low	172 Å²	172	139.1 Å²	139.1	80%	0.804	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-14	-167	-140.7	174.1	16.6	0	0	114.3	L670	L670-Q672 PolarHBondContact O-N 2.85Å
673	T	49.3	Very low	51.7	Low	108 Å²	108	142.3 Å²	142.3	66%	0.663	70%	0.702	S	S	*	*	S	Bend	trans	-87.7	-30.9	-179.7	39	0	0	0	0	113.7	L670 L671 I675	L670-T673 PolarHBondContact O-OG1 3.49Å; L671-T673 PolarHBondContact O-N 3.1Å; T673-I675 PolarHBondContact O-N 2.94Å
674	S	49.4	Very low	50.4	Low	100 Å²	100	141.8 Å²	141.8	70%	0.699	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-16.7	-174.8	-60.3	0	0	0	0	115	K676	S674-K676 PolarHBondContact O-N 2.88Å
675	I	52.8	Low	49.1	Very low	141 Å²	141	151.5 Å²	151.5	72%	0.723	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-10.9	-177.3	-63.8	174.1	0	0	0	112.2	T673 K677	T673-I675 PolarHBondContact O-N 2.94Å; I675-K677 PolarHBondContact O-N 2.95Å
676	K	44.1	Very low	48.2	Very low	198 Å²	198	154.6 Å²	154.6	86%	0.861	75%	0.754	S	S	*	*			trans	-99.3	55.4	175.6	-79.2	-170.7	173.5	-178.9	0	114	S674	S674-K676 PolarHBondContact O-N 2.88Å
677	K	42.9	Very low	47.4	Very low	203 Å²	203	152.4 Å²	152.4	88%	0.883	75%	0.753	S	S	*	*			trans	-134.2	46.9	159.1	-122.8	178.6	-175.5	-176.4	0	114.5	I675	I675-K677 PolarHBondContact O-N 2.95Å
678	K	41.3	Very low	46.8	Very low	154 Å²	154	153.8 Å²	153.8	67%	0.67	76%	0.764	S	S	*	*			trans	-67.9	151.8	158.2	-169.9	-177.5	177.9	-164.6	0	109.7
679	Y	37.9	Very low	46.3	Very low	176 Å²	176	157.2 Å²	157.2	69%	0.69	77%	0.773	S	S	*	*			trans	99.2	137.3	167.1	-66.8	-76.9	0	0	0	120.2
680	L	41.7	Very low	45.7	Very low	160 Å²	160	154.9 Å²	154.9	84%	0.838	77%	0.768	S	S	*	*			trans	70.3	112	163.2	-62	157.8	0	0	0	115.3
681	K	40.7	Very low	45.1	Very low	196 Å²	196	158.9 Å²	158.9	85%	0.852	79%	0.787	S	S	*	*			cis	56.9	144	46.4	-99.3	-165.1	-178.2	-168.8	0	113.7
682	P	49.3	Very low	44.6	Very low	119 Å²	119	162.1 Å²	162.1	77%	0.773	80%	0.8	S	S	*	*			cis	-133.7	-165	0.7	42.5	-23.8	0	0	0	115.1
683	T	44.8	Very low	44.2	Very low	134 Å²	134	161.3 Å²	161.3	82%	0.822	80%	0.799	S	S	*	*			trans	-85.5	156	176.1	47.6	0	0	0	0	115.1
684	S	40.4	Very low	43.7	Very low	104 Å²	104	165.8 Å²	165.8	73%	0.727	81%	0.811	S	S	*	*			trans	-173.3	106.7	140.6	56.6	0	0	0	0	108.6
685	Y	39.6	Very low	43.2	Very low	304 Å²	304	171.7 Å²	171.7	100%	1.192	82%	0.821	S	S	*	*				-161.4	0	66.7	-111.8	-85.6	0	0	0	111

Retrieved 685 of 685 residues in 268.3 ms (Link to these results)

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