A0A096MY22_PAPAN Loading...

Semaphorin 3F

AlphaFold DB , UniProt , Accession A0A096MY22, Species PAPAN (Papio anubis, Olive baboon), Gene SEMA3F, Length 785 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	46.9	Very low	38.9	Very low	238 Å²	238	131 Å²	131	100%	1.172	75%	0.746	S	S	*	*				0	102.6	0	-69.9	-169.4	-173.5	0	0	108.4
2	L	41.1	Very low	38.4	Very low	162 Å²	162	131.7 Å²	131.7	85%	0.848	75%	0.745	S	S	*	*			trans	169.2	15.6	159.8	-101.8	149.6	0	0	0	114.8
3	V	41.6	Very low	38	Very low	124 Å²	124	132.4 Å²	132.4	75%	0.752	74%	0.744	S	S	*	*	S	Bend	trans	-124.1	-13.6	177.4	-170.1	0	0	0	0	113.7
4	A	39.1	Very low	37.9	Very low	87 Å²	87	130.5 Å²	130.5	72%	0.719	74%	0.737	S	S	*	*	S	Bend	trans	-85.3	-13.5	178.9	0	0	0	0	0	114.4
5	G	38.1	Very low	37.5	Very low	61 Å²	61	126.9 Å²	126.9	63%	0.629	74%	0.741	S	S	*	*	S	Bend	trans	-86.2	-16.7	-175.5	0	0	0	0	0	115.5
6	L	40.4	Very low	37.1	Very low	137 Å²	137	124.6 Å²	124.6	72%	0.717	74%	0.741	S	S	*	*	S	Bend	trans	-93.9	-18.4	-173.1	-91.7	148.4	0	0	0	114.2
7	L	36.8	Very low	36.6	Very low	137 Å²	137	131.1 Å²	131.1	72%	0.717	75%	0.75	S	S	*	*	H	α-helix	trans	-83.8	-21.1	178.2	-79.2	161.7	0	0	0	113.5
8	L	37.2	Very low	36.2	Very low	135 Å²	135	129.1 Å²	129.1	71%	0.707	74%	0.742	S	S	*	*	H	α-helix	trans	-81.5	-15.5	177	-97.4	131.1	0	0	0	113.8
9	W	36.1	Very low	35.8	Very low	195 Å²	195	127.5 Å²	127.5	74%	0.739	75%	0.746	S	S	*	*	H	α-helix	trans	-89.2	-23.1	176.7	-112	53	0	0	0	113.6
10	A	35.2	Very low	35.2	Very low	62 Å²	62	129.6 Å²	129.6	51%	0.512	75%	0.746	S	S	.	*	H	α-helix	trans	-78.7	-24.5	179.6	0	0	0	0	0	113.7	L12	A10-L12 VanDerWaalsContact C-N 3.34Å
11	C	34.9	Very low	34.8	Very low	103 Å²	103	129 Å²	129	70%	0.696	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-11.3	174.6	-73.7	0	0	0	0	113.9
12	L	34	Very low	33.9	Very low	139 Å²	139	123 Å²	123	73%	0.728	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-9.4	176.2	-79.9	160.2	0	0	0	113.4	A10	A10-L12 VanDerWaalsContact C-N 3.34Å
13	L	33.1	Very low	33.6	Very low	141 Å²	141	122 Å²	122	74%	0.738	72%	0.715	S	S	*	*	S	Bend	trans	-107.7	1.2	-178.9	-79	161.5	0	0	0	114.4
14	T	35.5	Very low	33.1	Very low	106 Å²	106	121 Å²	121	65%	0.65	71%	0.705	S	S	*	*			trans	-115.5	73.3	165.4	48	0	0	0	0	108.4	A16	T14-A16 PolarHBondContact O-N 3.36Å
15	G	32.5	Very low	33.3	Very low	77 Å²	77	122.2 Å²	122.2	79%	0.794	70%	0.696	S	S	*	*			trans	-65.7	72.1	169.2	0	0	0	0	0	110.9
16	A	31.3	Very low	33.8	Very low	89 Å²	89	127.1 Å²	127.1	74%	0.736	70%	0.7	S	S	*	*			trans	-114.6	75.7	162.3	0	0	0	0	0	106.3	T14	T14-A16 PolarHBondContact O-N 3.36Å
17	W	29	Very low	34.7	Very low	236 Å²	236	122.8 Å²	122.8	89%	0.894	68%	0.68	S	S	*	*			trans	-57.6	135.8	158.6	-65.5	-12.7	0	0	0	107	A19	W17-A19 VanDerWaalsContact C-N 3.35Å; W17-A19 PolarHBondContact O-N 3.46Å
18	P	28.7	Very low	36.3	Very low	94 Å²	94	117.5 Å²	117.5	61%	0.61	66%	0.656	S	S	*	*			trans	-59.6	109.2	165.9	17.5	-15.8	0	0	0	105.7	F20	P18-F20 HydrophobicContact CB-CD2 4.46Å; P18-F20 HydrophobicContact CB-CE2 4.13Å; P18-F20 HydrophobicContact CB-CZ 4.42Å; P18-F20 HydrophobicContact CG-CD2 4.43Å; P18-F20 HydrophobicContact CG-CE2 3.77Å; P18-F20 HydrophobicContact CG-CZ 4.22Å; P18-F20 VanDerWaalsContact O-CD2 3.31Å; P18-F20 WeakPolarHBondContact O-CD2 3.3Å; P18-F20 PolarHBondContact O-N 3.15Å
19	A	28.2	Very low	38.6	Very low	99 Å²	99	114.7 Å²	114.7	82%	0.818	65%	0.645	S	S	*	*			trans	-61.1	91.2	165	0	0	0	0	0	105.9	W17	W17-A19 VanDerWaalsContact C-N 3.35Å; W17-A19 PolarHBondContact O-N 3.46Å
20	F	25.2	Very low	41.2	Very low	169 Å²	169	106 Å²	106	74%	0.741	61%	0.614	S	S	*	*			trans	-60.9	139.1	162.2	-71.8	-77.6	0	0	0	106.8	P18 T22	P18-F20 HydrophobicContact CB-CD2 4.46Å; P18-F20 HydrophobicContact CB-CE2 4.13Å; P18-F20 HydrophobicContact CB-CZ 4.42Å; P18-F20 HydrophobicContact CG-CD2 4.43Å; P18-F20 HydrophobicContact CG-CE2 3.77Å; P18-F20 HydrophobicContact CG-CZ 4.22Å; P18-F20 VanDerWaalsContact O-CD2 3.31Å; P18-F20 WeakPolarHBondContact O-CD2 3.3Å; P18-F20 PolarHBondContact O-N 3.15Å; F20-T22 PolarHBondContact O-N 2.93Å
21	P	26.8	Very low	43.9	Very low	119 Å²	119	104 Å²	104	77%	0.773	59%	0.593	S	S	*	*			trans	-63.1	108.9	-171.1	26	-31.6	0	0	0	107.8	Q23	P21-Q23 PolarHBondContact O-N 2.94Å; P21-Q23 VanDerWaalsContact O-N 3.07Å
22	T	26.4	Very low	46.6	Very low	111 Å²	111	99.8 Å²	99.8	68%	0.681	56%	0.564	S	S	*	*			trans	-52	119	154	42.2	0	0	0	0	104.9	F20 D24	F20-T22 PolarHBondContact O-N 2.93Å; T22-D24 PolarHBondContact O-N 3.04Å
23	Q	34.7	Very low	49.4	Very low	142 Å²	142	99.8 Å²	99.8	66%	0.664	55%	0.554	S	S	*	*			trans	-68.1	77.5	173.5	-166.5	174.1	15.1	0	0	106.3	P21 H25	P21-Q23 PolarHBondContact O-N 2.94Å; P21-Q23 VanDerWaalsContact O-N 3.07Å; Q23-H25 VanDerWaalsContact C-N 3.31Å; Q23-H25 PolarHBondContact O-N 2.96Å; Q23-H25 PolarHBondContact O-ND1 2.89Å
24	D	31.6	Very low	52.3	Low	101 Å²	101	94 Å²	94	54%	0.54	52%	0.524	S	S	.	.			trans	-53.1	104.3	171.1	-87.9	-18.3	0	0	0	104.9	T22 F26	T22-D24 PolarHBondContact O-N 3.04Å; D24-F26 HydrophobicContact CB-CD2 3.63Å; D24-F26 HydrophobicContact CB-CE2 3.28Å; D24-F26 HydrophobicContact CB-CG 4.43Å; D24-F26 HydrophobicContact CB-CZ 3.82Å; D24-F26 WeakPolarHBondContact O-CD2 3.13Å; D24-F26 PolarHBondContact O-N 3.39Å
25	H	44.3	Very low	55.1	Low	114 Å²	114	90.8 Å²	90.8	53%	0.528	51%	0.506	S	S	.	.			trans	-70.2	73.7	170.1	-81.9	40.9	0	0	0	106.1	Q23	Q23-H25 VanDerWaalsContact C-N 3.31Å; Q23-H25 PolarHBondContact O-N 2.96Å; Q23-H25 PolarHBondContact O-ND1 2.89Å
26	F	48.6	Very low	58.1	Low	163 Å²	163	88.8 Å²	88.8	72%	0.715	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-58	127.5	166.1	-72.5	-74.9	0	0	0	106.3	D24 A28	D24-F26 HydrophobicContact CB-CD2 3.63Å; D24-F26 HydrophobicContact CB-CE2 3.28Å; D24-F26 HydrophobicContact CB-CG 4.43Å; D24-F26 HydrophobicContact CB-CZ 3.82Å; D24-F26 WeakPolarHBondContact O-CD2 3.13Å; D24-F26 PolarHBondContact O-N 3.39Å; F26-A28 PolarHBondContact O-N 3.36Å
27	P	59.5	Low	61.1	Low	46 Å²	46	93 Å²	93	30%	0.299	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-54.7	132.2	-179.1	19.2	-29.2	0	0	0	109.3	T29	P27-T29 PolarHBondContact O-N 2.77Å
28	A	70.6	Confident	64.3	Low	26 Å²	26	86.6 Å²	86.6	22%	0.215	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-52.3	119	178.5	0	0	0	0	0	109.1	F26 M507	F26-A28 PolarHBondContact O-N 3.36Å; A28-M507 HydrophobicContact CB-CB 4.06Å; A28-M507 VanDerWaalsContact O-CE 3.22Å; A28-M507 WeakPolarHBondContact O-CE 3.44Å
29	T	84.8	Confident	67.4	Low	77 Å²	77	82.2 Å²	82.2	47%	0.472	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-71.7	131.8	-179.9	-59.1	0	0	0	0	108.5	P27 R31 P631 Q632	P27-T29 PolarHBondContact O-N 2.77Å; T29-R31 PolarHBondContact O-N 3.14Å; T29-P631 HydrophobicContact CG2-CB 3.89Å; T29-Q632 PolarHBondContact O-NE2 2.82Å
30	P	91.2	Very high	70.6	Confident	13 Å²	13	84.3 Å²	84.3	8%	0.084	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-61.7	134.7	179	23.1	-31.6	0	0	0	110.9	V32 R33 M507 E510	P30-V32 VanDerWaalsContact C-N 3.29Å; P30-V32 PolarHBondContact O-N 3.47Å; P30-R33 HydrophobicContact CG-CB 4.41Å; P30-M507 WeakPolarHBondContact CA-O 3.15Å; P30-M507 HydrophobicContact CB-CG 3.89Å; P30-M507 HydrophobicContact CB-SD 3.58Å; P30-M507 VanDerWaalsContact CB-SD 3.58Å; P30-M507 HydrophobicContact CG-SD 3.97Å; P30-E510 HydrophobicContact CB-CB 3.72Å; P30-E510 HydrophobicContact CG-CB 3.88Å
31	R	91.1	Very high	73.8	Confident	18 Å²	18	80.5 Å²	80.5	7%	0.068	42%	0.418	C	S	.	.	S	Bend	trans	-63.6	-37.4	173.8	-173.4	-165	178.6	74.8	20.4	111.8	T29 M507 L508 L560 A561 P631 E682	T29-R31 PolarHBondContact O-N 3.14Å; R31-M507 PolarHBondContact N-O 2.62Å; R31-L508 WeakPolarHBondContact CB-O 3.15Å; R31-L560 VanDerWaalsContact CZ-O 3.27Å; R31-L560 PolarHBondContact NH1-O 3.35Å; R31-A561 VanDerWaalsContact NE-CA 3.35Å; R31-P631 WeakPolarHBondContact O-CD 3.42Å; R31-E682 IonicContact CZ-OE1 3.8Å; R31-E682 VanDerWaalsContact CZ-OE1 3.26Å; R31-E682 IonicContact CZ-OE2 3.49Å; R31-E682 IonicContact NH1-OE1 3.52Å; R31-E682 PolarHBondContact NH1-OE1 2.88Å; R31-E682 IonicContact NH1-OE2 2.83Å; R31-E682 PolarHBondContact NH1-OE2 3.38Å; R31-E682 IonicContact NH2-OE1 3.79Å; R31-E682 PolarHBondContact NH2-OE1 3.32Å; R31-E682 IonicContact NH2-OE2 2.75Å; R31-E682 PolarHBondContact NH2-OE2 2.81Å
32	V	91.6	Very high	77	Confident	15 Å²	15	77.3 Å²	77.3	9%	0.091	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.6	174.7	177.8	0	0	0	0	108.9	P30 L34 L508 E509 E510 Y551	P30-V32 VanDerWaalsContact C-N 3.29Å; P30-V32 PolarHBondContact O-N 3.47Å; V32-L34 HydrophobicContact CG1-CD2 3.88Å; V32-L34 HydrophobicContact CG1-CG 3.96Å; V32-L508 PolarHBondContact N-O 3.13Å; V32-E509 HydrophobicContact CB-CG 4.46Å; V32-E509 CarbonylContact O-C 3.45Å; V32-E509 VanDerWaalsContact O-CA 3.27Å; V32-E509 WeakPolarHBondContact O-CA 3.19Å; V32-E510 PolarHBondContact O-N 2.86Å; V32-Y551 HydrophobicContact CB-CE1 4.45Å; V32-Y551 HydrophobicContact CG2-CD1 3.49Å; V32-Y551 VanDerWaalsContact CG2-CD1 3.49Å; V32-Y551 HydrophobicContact CG2-CE1 3.68Å
33	R	92.8	Very high	80.1	Confident	140 Å²	140	74.5 Å²	74.5	53%	0.528	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.9	171.8	-171.3	176.9	-177.9	132.6	0.4	109.2	P30 E510	P30-R33 HydrophobicContact CG-CB 4.41Å; R33-E510 VanDerWaalsContact CA-O 3.29Å; R33-E510 WeakPolarHBondContact CA-O 3.41Å; R33-E510 IonicContact CZ-OE2 3.04Å; R33-E510 IonicContact NH1-OE2 2.72Å; R33-E510 PolarHBondContact NH1-OE2 2.88Å
34	L	93.8	Very high	82.9	Confident	19 Å²	19	69.4 Å²	69.4	10%	0.099	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.6	177.7	-56.7	177	0	0	0	109.8	V32 E38 L39 T42 E510 V511 E512	V32-L34 HydrophobicContact CG1-CD2 3.88Å; V32-L34 HydrophobicContact CG1-CG 3.96Å; L34-E38 HydrophobicContact CB-CB 4.33Å; L34-E38 HydrophobicContact CD2-CB 4.22Å; L34-L39 HydrophobicContact CB-CB 4.21Å; L34-L39 HydrophobicContact CD1-CD1 4.27Å; L34-T42 HydrophobicContact CD1-CG2 4.17Å; L34-E510 PolarHBondContact N-O 2.75Å; L34-V511 HydrophobicContact CB-CG1 4.14Å; L34-V511 HydrophobicContact CD1-CG1 4.1Å; L34-V511 HydrophobicContact CG-CG1 4.33Å; L34-E512 PolarHBondContact O-N 3.06Å
35	S	95.2	Very high	85.8	Confident	38 Å²	38	65 Å²	65	27%	0.266	35%	0.346	S	S	.	.			trans	-63.8	162.7	165	64.8	0	0	0	0	110.6	K37 E38 L39 E512	S35-K37 PolarHBondContact O-N 3.06Å; S35-K37 VanDerWaalsContact O-N 3.14Å; S35-E38 WeakPolarHBondContact CB-OE2 3.48Å; S35-E38 PolarHBondContact N-OE2 3.39Å; S35-E38 PolarHBondContact O-N 3.36Å; S35-E38 VanDerWaalsContact O-N 3.08Å; S35-E38 VanDerWaalsContact OG-CD 3.25Å; S35-E38 WeakPolarHBondContact OG-CG 3.34Å; S35-E38 PolarHBondContact OG-N 3.41Å; S35-E38 PolarHBondContact OG-OE2 3.38Å; S35-L39 WeakPolarHBondContact O-CB 3.34Å; S35-L39 PolarHBondContact O-N 3.48Å; S35-E512 WeakPolarHBondContact CA-OE2 2.99Å
36	F	94.8	Very high	88.2	Confident	36 Å²	36	62.9 Å²	62.9	16%	0.158	34%	0.336	C	S	.	.	H	α-helix	trans	-54.6	-38.3	179.1	178.4	-100.5	0	0	0	112.7	K40 F47 E512 F514 K515	F36-K40 WeakPolarHBondContact O-CB 3.31Å; F36-K40 PolarHBondContact O-N 2.8Å; F36-F47 HydrophobicContact CE2-CB 4.05Å; F36-F47 HydrophobicContact CE2-CG 4.32Å; F36-F47 HydrophobicContact CZ-CB 3.95Å; F36-F47 HydrophobicContact CZ-CD1 4.36Å; F36-F47 HydrophobicContact CZ-CG 4.18Å; F36-E512 WeakPolarHBondContact CA-O 3.37Å; F36-E512 HydrophobicContact CB-CB 4.3Å; F36-E512 PolarHBondContact N-OE2 2.64Å; F36-F514 WeakPolarHBondContact CD2-O 3.46Å; F36-K515 HydrophobicContact CD1-CB 3.98Å; F36-K515 HydrophobicContact CD1-CG 4.26Å; F36-K515 HydrophobicContact CE1-CB 3.65Å; F36-K515 HydrophobicContact CE1-CG 4.07Å; F36-K515 HydrophobicContact CE2-CB 4.43Å; F36-K515 HydrophobicContact CG-CB 4.5Å; F36-K515 HydrophobicContact CZ-CB 3.9Å
37	K	95.4	Very high	90.3	Very high	176 Å²	176	57.8 Å²	57.8	77%	0.765	31%	0.314	S	S	*	.	H	α-helix	trans	-66.7	-43.8	179	-174.3	-178	176.9	-173.7	0	111.8	S35 A41	S35-K37 PolarHBondContact O-N 3.06Å; S35-K37 VanDerWaalsContact O-N 3.14Å; K37-A41 WeakPolarHBondContact O-CB 3.09Å; K37-A41 PolarHBondContact O-N 3.31Å; K37-A41 VanDerWaalsContact O-N 3.07Å
38	E	94.6	Very high	91.9	Very high	103 Å²	103	56.1 Å²	56.1	48%	0.481	30%	0.302	S	S	.	.	H	α-helix	trans	-69.1	-43.2	178.6	-68.8	162.1	143.8	0	0	111.1	L34 S35 K40 A41 T42	L34-E38 HydrophobicContact CB-CB 4.33Å; L34-E38 HydrophobicContact CD2-CB 4.22Å; S35-E38 WeakPolarHBondContact CB-OE2 3.48Å; S35-E38 PolarHBondContact N-OE2 3.39Å; S35-E38 PolarHBondContact O-N 3.36Å; S35-E38 VanDerWaalsContact O-N 3.08Å; S35-E38 VanDerWaalsContact OG-CD 3.25Å; S35-E38 WeakPolarHBondContact OG-CG 3.34Å; S35-E38 PolarHBondContact OG-N 3.41Å; S35-E38 PolarHBondContact OG-OE2 3.38Å; E38-K40 VanDerWaalsContact C-N 3.33Å; E38-K40 PolarHBondContact O-N 3.39Å; E38-A41 WeakPolarHBondContact O-CB 3.39Å; E38-A41 PolarHBondContact O-N 2.97Å; E38-A41 VanDerWaalsContact O-N 3.07Å; E38-T42 WeakPolarHBondContact O-CG2 3.46Å; E38-T42 PolarHBondContact O-N 3.09Å; E38-T42 VanDerWaalsContact O-N 3.16Å
39	L	95.4	Very high	92.9	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-56.2	-47.9	175.2	177.1	64.6	0	0	0	110.9	L34 S35 A41 T42 A45 V511 E512 L543	L34-L39 HydrophobicContact CB-CB 4.21Å; L34-L39 HydrophobicContact CD1-CD1 4.27Å; S35-L39 WeakPolarHBondContact O-CB 3.34Å; S35-L39 PolarHBondContact O-N 3.48Å; L39-A41 VanDerWaalsContact C-N 3.31Å; L39-A41 PolarHBondContact O-N 2.79Å; L39-T42 WeakPolarHBondContact O-CB 3.36Å; L39-T42 PolarHBondContact O-N 2.91Å; L39-T42 PolarHBondContact O-OG1 3.1Å; L39-A45 HydrophobicContact CD1-CB 3.84Å; L39-A45 HydrophobicContact CD2-CB 3.92Å; L39-A45 HydrophobicContact CG-CB 3.52Å; L39-V511 HydrophobicContact CD1-CB 4.2Å; L39-V511 HydrophobicContact CD1-CG1 4.18Å; L39-V511 HydrophobicContact CD2-CB 4.15Å; L39-V511 HydrophobicContact CD2-CG2 4.43Å; L39-E512 VanDerWaalsContact CD2-O 3.23Å; L39-E512 WeakPolarHBondContact CD2-O 3.35Å; L39-L543 HydrophobicContact CD1-CD2 4.31Å; L39-L543 HydrophobicContact CD2-CD2 3.76Å; L39-L543 HydrophobicContact CG-CD2 4.41Å
40	K	93.4	Very high	92.4	Very high	144 Å²	144	56.2 Å²	56.2	63%	0.626	29%	0.294	S	S	*	.	H	α-helix	trans	-62.4	-37.6	176	-169.5	178.9	-177.5	179	0	112.3	F36 E38 T42 G43	F36-K40 WeakPolarHBondContact O-CB 3.31Å; F36-K40 PolarHBondContact O-N 2.8Å; E38-K40 VanDerWaalsContact C-N 3.33Å; E38-K40 PolarHBondContact O-N 3.39Å; K40-T42 PolarHBondContact O-N 3.35Å; K40-G43 PolarHBondContact O-N 2.79Å; K40-G43 VanDerWaalsContact O-N 3.1Å
41	A	94.3	Very high	91.5	Very high	88 Å²	88	59.4 Å²	59.4	73%	0.727	31%	0.31	S	S	*	.	H	α-helix	trans	-64.8	-23.1	178.3	0	0	0	0	0	113.2	K37 E38 L39 G43	K37-A41 WeakPolarHBondContact O-CB 3.09Å; K37-A41 PolarHBondContact O-N 3.31Å; K37-A41 VanDerWaalsContact O-N 3.07Å; E38-A41 WeakPolarHBondContact O-CB 3.39Å; E38-A41 PolarHBondContact O-N 2.97Å; E38-A41 VanDerWaalsContact O-N 3.07Å; L39-A41 VanDerWaalsContact C-N 3.31Å; L39-A41 PolarHBondContact O-N 2.79Å; A41-G43 PolarHBondContact O-N 2.87Å
42	T	92.3	Very high	90.2	Very high	53 Å²	53	66.8 Å²	66.8	33%	0.325	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.1	173.4	72.1	0	0	0	0	113.8	L34 E38 L39 K40 T44	L34-T42 HydrophobicContact CD1-CG2 4.17Å; E38-T42 WeakPolarHBondContact O-CG2 3.46Å; E38-T42 PolarHBondContact O-N 3.09Å; E38-T42 VanDerWaalsContact O-N 3.16Å; L39-T42 WeakPolarHBondContact O-CB 3.36Å; L39-T42 PolarHBondContact O-N 2.91Å; L39-T42 PolarHBondContact O-OG1 3.1Å; K40-T42 PolarHBondContact O-N 3.35Å; T42-T44 PolarHBondContact O-N 3.28Å; T42-T44 PolarHBondContact OG1-N 3.11Å; T42-T44 PolarHBondContact OG1-OG1 3.04Å
43	G	92.3	Very high	88.9	Confident	52 Å²	52	73.1 Å²	73.1	54%	0.536	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	11.2	-173	0	0	0	0	0	114.4	K40 A41	K40-G43 PolarHBondContact O-N 2.79Å; K40-G43 VanDerWaalsContact O-N 3.1Å; A41-G43 PolarHBondContact O-N 2.87Å
44	T	92.5	Very high	87.8	Confident	34 Å²	34	66.9 Å²	66.9	21%	0.209	36%	0.361	C	S	.	.	S	Bend	trans	-103.4	7.1	180	67.9	0	0	0	0	113.5	T42 L543 S544 R547	T42-T44 PolarHBondContact O-N 3.28Å; T42-T44 PolarHBondContact OG1-N 3.11Å; T42-T44 PolarHBondContact OG1-OG1 3.04Å; T44-L543 CarbonylContact O-C 3.54Å; T44-L543 WeakPolarHBondContact O-CA 3.5Å; T44-S544 PolarHBondContact O-N 2.86Å; T44-R547 HydrophobicContact CG2-CG 3.95Å; T44-R547 VanDerWaalsContact OG1-CD 3.26Å; T44-R547 WeakPolarHBondContact OG1-CD 3.42Å; T44-R547 WeakPolarHBondContact OG1-CG 3.38Å
45	A	94.3	Very high	87.4	Confident	9 Å²	9	68.9 Å²	68.9	7%	0.074	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	132.7	-176.2	0	0	0	0	0	111	L39 H542 L543	L39-A45 HydrophobicContact CD1-CB 3.84Å; L39-A45 HydrophobicContact CD2-CB 3.92Å; L39-A45 HydrophobicContact CG-CB 3.52Å; A45-H542 CarbonylContact C-O 3.51Å; A45-H542 VanDerWaalsContact CA-O 3.26Å; A45-H542 WeakPolarHBondContact CA-O 3.42Å; A45-L543 HydrophobicContact CB-CD2 3.5Å
46	H	93.6	Very high	87.3	Confident	69 Å²	69	67.7 Å²	67.7	32%	0.319	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.6	178.4	-63.1	-84.6	0	0	0	108.8	I85 T541 H542	H46-I85 HydrophobicContact CB-CG1 4.2Å; H46-I85 VanDerWaalsContact O-CD1 3.3Å; H46-I85 WeakPolarHBondContact O-CD1 3.29Å; H46-T541 WeakPolarHBondContact O-CA 3.46Å; H46-H542 PolarHBondContact N-O 2.79Å; H46-H542 PolarHBondContact O-N 3.43Å
47	F	93.9	Very high	87.3	Confident	57 Å²	57	66 Å²	66	25%	0.25	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.1	176.7	171.8	-108.1	0	0	0	109.6	F36 N49 N86 F514 T541	F36-F47 HydrophobicContact CE2-CB 4.05Å; F36-F47 HydrophobicContact CE2-CG 4.32Å; F36-F47 HydrophobicContact CZ-CB 3.95Å; F36-F47 HydrophobicContact CZ-CD1 4.36Å; F36-F47 HydrophobicContact CZ-CG 4.18Å; F47-N49 HydrophobicContact CE1-CB 3.73Å; F47-N49 HydrophobicContact CZ-CB 3.66Å; F47-N86 PolarHBondContact O-OD1 2.86Å; F47-F514 HydrophobicContact CD2-CD1 4.21Å; F47-F514 AromaticContact CE2-CD1 3.89Å; F47-F514 HydrophobicContact CE2-CD1 3.89Å; F47-T541 WeakPolarHBondContact CD2-OG1 3.23Å
48	F	92.9	Very high	87.1	Confident	10 Å²	10	60 Å²	60	4%	0.044	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.8	176.9	-179.1	-90.4	0	0	0	110.4	F50 L78 L80 I85 N86 P89 G539 V540	F48-F50 HydrophobicContact CE1-CB 3.94Å; F48-F50 HydrophobicContact CE1-CD1 4.04Å; F48-F50 HydrophobicContact CE1-CG 4.43Å; F48-F50 HydrophobicContact CE2-CB 4.5Å; F48-F50 HydrophobicContact CZ-CB 3.67Å; F48-F50 HydrophobicContact CZ-CD1 4.48Å; F48-F50 HydrophobicContact CZ-CG 4.45Å; F48-L78 HydrophobicContact CE1-CD1 3.98Å; F48-L80 HydrophobicContact CD1-CD1 3.94Å; F48-L80 HydrophobicContact CD1-CD2 4.2Å; F48-L80 HydrophobicContact CD2-CD2 4.38Å; F48-L80 HydrophobicContact CE1-CD1 4.26Å; F48-L80 HydrophobicContact CE1-CD2 3.78Å; F48-L80 HydrophobicContact CE2-CD2 3.97Å; F48-L80 HydrophobicContact CG-CD1 4.23Å; F48-L80 HydrophobicContact CG-CD2 4.48Å; F48-L80 HydrophobicContact CZ-CD2 3.63Å; F48-I85 HydrophobicContact CB-CB 4.49Å; F48-I85 HydrophobicContact CB-CD1 3.47Å; F48-I85 VanDerWaalsContact CB-CD1 3.47Å; F48-I85 HydrophobicContact CB-CG1 3.92Å; F48-I85 WeakPolarHBondContact CD2-O 3.38Å; F48-N86 WeakPolarHBondContact CD2-OD1 3.09Å; F48-P89 HydrophobicContact CE2-CB 3.72Å; F48-P89 HydrophobicContact CE2-CG 3.92Å; F48-P89 HydrophobicContact CZ-CB 3.8Å; F48-P89 HydrophobicContact CZ-CG 4.29Å; F48-G539 WeakPolarHBondContact O-CA 3.43Å; F48-V540 PolarHBondContact N-O 3.24Å; F48-V540 PolarHBondContact O-N 2.8Å
49	N	90.1	Very high	87.1	Confident	62 Å²	62	56.8 Å²	56.8	33%	0.332	32%	0.315	S	S	.	.			trans	-149.2	125.4	163.6	-179.9	10.9	0	0	0	107.3	F47 L51 T54 Y57 V538	F47-N49 HydrophobicContact CE1-CB 3.73Å; F47-N49 HydrophobicContact CZ-CB 3.66Å; N49-L51 PolarHBondContact OD1-O 3.4Å; N49-T54 PolarHBondContact OD1-OG1 3.21Å; N49-Y57 PolarHBondContact OD1-OH 2.82Å; N49-V538 PolarHBondContact ND2-O 2.68Å
50	F	74.8	Confident	87.2	Confident	44 Å²	44	57.8 Å²	57.8	19%	0.193	32%	0.321	C	S	.	.			trans	-95.9	-23.7	-169.7	76.1	-82.5	0	0	0	114.4	F48 T54 Y57 Y76 L78 I91	F48-F50 HydrophobicContact CE1-CB 3.94Å; F48-F50 HydrophobicContact CE1-CD1 4.04Å; F48-F50 HydrophobicContact CE1-CG 4.43Å; F48-F50 HydrophobicContact CE2-CB 4.5Å; F48-F50 HydrophobicContact CZ-CB 3.67Å; F48-F50 HydrophobicContact CZ-CD1 4.48Å; F48-F50 HydrophobicContact CZ-CG 4.45Å; F50-T54 HydrophobicContact CD1-CG2 4.47Å; F50-T54 HydrophobicContact CE1-CG2 3.62Å; F50-T54 HydrophobicContact CE2-CG2 3.82Å; F50-T54 HydrophobicContact CZ-CG2 3.26Å; F50-Y57 HydrophobicContact CD1-CE1 4.28Å; F50-Y57 VanDerWaalsContact CD1-OH 3.28Å; F50-Y57 WeakPolarHBondContact CD1-OH 3.5Å; F50-Y57 HydrophobicContact CE1-CE1 4.33Å; F50-Y57 PolarHBondContact N-OH 2.99Å; F50-Y76 HydrophobicContact CE1-CG 4.47Å; F50-Y76 AromaticContact CE2-CD1 3.93Å; F50-Y76 HydrophobicContact CE2-CD1 3.93Å; F50-Y76 HydrophobicContact CE2-CD2 4.33Å; F50-Y76 AromaticContact CE2-CE1 3.91Å; F50-Y76 HydrophobicContact CE2-CE1 3.91Å; F50-Y76 HydrophobicContact CE2-CE2 4.39Å; F50-Y76 HydrophobicContact CE2-CG 4.15Å; F50-Y76 AromaticContact CZ-CD1 3.73Å; F50-Y76 HydrophobicContact CZ-CD1 3.73Å; F50-Y76 AromaticContact CZ-CD2 3.58Å; F50-Y76 HydrophobicContact CZ-CD2 3.58Å; F50-Y76 HydrophobicContact CZ-CE1 4.07Å; F50-Y76 HydrophobicContact CZ-CE2 4.01Å; F50-Y76 AromaticContact CZ-CG 3.48Å; F50-Y76 HydrophobicContact CZ-CG 3.48Å; F50-Y76 VanDerWaalsContact CZ-CG 3.48Å; F50-L78 HydrophobicContact CD1-CD1 4.03Å; F50-L78 HydrophobicContact CD1-CD2 4.13Å; F50-L78 HydrophobicContact CE1-CD1 3.92Å; F50-L78 HydrophobicContact CE1-CD2 3.77Å; F50-L78 HydrophobicContact CE1-CG 4.42Å; F50-L78 HydrophobicContact CZ-CD2 4.06Å; F50-I91 HydrophobicContact CB-CD1 4.12Å; F50-I91 HydrophobicContact CD2-CD1 3.67Å; F50-I91 HydrophobicContact CE2-CD1 4.23Å; F50-I91 HydrophobicContact CE2-CG2 4.1Å; F50-I91 HydrophobicContact CG-CD1 3.95Å; F50-I91 HydrophobicContact CZ-CG2 4.44Å
51	L	73.4	Confident	87.3	Confident	79 Å²	79	52.5 Å²	52.5	41%	0.414	30%	0.299	S	S	.	.			trans	-138.1	145	174.1	-68.4	170.2	0	0	0	110.8	N49 N53 T54 Y76	N49-L51 PolarHBondContact OD1-O 3.4Å; L51-N53 PolarHBondContact O-N 3.39Å; L51-N53 VanDerWaalsContact O-N 3.1Å; L51-T54 HydrophobicContact CB-CG2 3.69Å; L51-T54 HydrophobicContact CD1-CG2 3.76Å; L51-T54 HydrophobicContact CG-CG2 4.2Å; L51-T54 PolarHBondContact N-OG1 3.02Å; L51-T54 PolarHBondContact O-N 3.37Å; L51-T54 PolarHBondContact O-OG1 3.25Å; L51-Y76 HydrophobicContact CD1-CE2 4.46Å
52	L	62	Low	87.3	Confident	174 Å²	174	51.3 Å²	51.3	91%	0.911	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.8	176.3	-80	105.6	0	0	0	113.2
53	N	65.7	Low	87.3	Confident	148 Å²	148	49.6 Å²	49.6	79%	0.791	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-3.2	-175.5	-69.1	-4.2	0	0	0	114.4	L51	L51-N53 PolarHBondContact O-N 3.39Å; L51-N53 VanDerWaalsContact O-N 3.1Å
54	T	69.7	Low	87.2	Confident	9 Å²	9	49.6 Å²	49.6	6%	0.055	25%	0.253	C	S	.	.			trans	-78.7	131.5	177.6	43.9	0	0	0	0	110.7	N49 F50 L51 Y57 Y76	N49-T54 PolarHBondContact OD1-OG1 3.21Å; F50-T54 HydrophobicContact CD1-CG2 4.47Å; F50-T54 HydrophobicContact CE1-CG2 3.62Å; F50-T54 HydrophobicContact CE2-CG2 3.82Å; F50-T54 HydrophobicContact CZ-CG2 3.26Å; L51-T54 HydrophobicContact CB-CG2 3.69Å; L51-T54 HydrophobicContact CD1-CG2 3.76Å; L51-T54 HydrophobicContact CG-CG2 4.2Å; L51-T54 PolarHBondContact N-OG1 3.02Å; L51-T54 PolarHBondContact O-N 3.37Å; L51-T54 PolarHBondContact O-OG1 3.25Å; T54-Y57 PolarHBondContact OG1-OH 2.7Å; T54-Y76 HydrophobicContact CG2-CD2 3.82Å; T54-Y76 HydrophobicContact CG2-CE2 3.61Å
55	T	85.8	Confident	87	Confident	61 Å²	61	54.1 Å²	54.1	37%	0.374	28%	0.275	S	S	.	.			trans	-132.3	168	-174.5	59.9	0	0	0	0	112.1	K74 A537	T55-K74 WeakPolarHBondContact O-CB 3.48Å; T55-K74 PolarHBondContact O-N 2.88Å; T55-A537 CarbonylContact C-O 3.5Å; T55-A537 WeakPolarHBondContact CA-O 3.45Å
56	D	91.6	Very high	86.6	Confident	13 Å²	13	55 Å²	55	7%	0.07	28%	0.278	C	S	.	.			trans	62.7	52.7	172.6	-167.4	56.2	0	0	0	114.7	R58 S73 F118 R120 A537	D56-R58 PolarHBondContact O-N 3.03Å; D56-R58 IonicContact OD1-CZ 2.71Å; D56-R58 IonicContact OD1-NE 3.66Å; D56-R58 PolarHBondContact OD1-NE 2.82Å; D56-R58 VanDerWaalsContact OD1-NE 3.13Å; D56-R58 IonicContact OD1-NH2 2.7Å; D56-R58 PolarHBondContact OD1-NH2 2.98Å; D56-S73 WeakPolarHBondContact O-CA 3.49Å; D56-F118 HydrophobicContact CB-CD1 4.1Å; D56-F118 HydrophobicContact CB-CE1 4.16Å; D56-F118 WeakPolarHBondContact OD2-CD1 3.21Å; D56-R120 IonicContact OD1-NH2 3.99Å; D56-R120 IonicContact OD2-CZ 3.47Å; D56-R120 IonicContact OD2-NH1 3.74Å; D56-R120 PolarHBondContact OD2-NH1 3.37Å; D56-R120 IonicContact OD2-NH2 3.82Å; D56-R120 PolarHBondContact OD2-NH2 3.36Å; D56-A537 PolarHBondContact N-O 3.45Å
57	Y	94.6	Very high	86.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.			trans	-66.2	100.2	166.1	-56.1	-104	0	0	0	108.1	N49 F50 T54 V71 L78 A535 S536 G539 V540	N49-Y57 PolarHBondContact OD1-OH 2.82Å; F50-Y57 HydrophobicContact CD1-CE1 4.28Å; F50-Y57 VanDerWaalsContact CD1-OH 3.28Å; F50-Y57 WeakPolarHBondContact CD1-OH 3.5Å; F50-Y57 HydrophobicContact CE1-CE1 4.33Å; F50-Y57 PolarHBondContact N-OH 2.99Å; T54-Y57 PolarHBondContact OG1-OH 2.7Å; Y57-V71 HydrophobicContact CD1-CG1 3.86Å; Y57-L78 HydrophobicContact CD1-CD1 4.14Å; Y57-L78 HydrophobicContact CE1-CD1 3.69Å; Y57-A535 WeakPolarHBondContact O-CB 3.36Å; Y57-S536 VanDerWaalsContact CB-O 3.24Å; Y57-S536 WeakPolarHBondContact CB-O 3.28Å; Y57-S536 PolarHBondContact N-O 3.01Å; Y57-S536 VanDerWaalsContact N-O 3.15Å; Y57-G539 VanDerWaalsContact CD2-N 3.25Å; Y57-G539 VanDerWaalsContact CE2-CA 3.46Å; Y57-V540 HydrophobicContact CD1-CG2 3.78Å; Y57-V540 HydrophobicContact CG-CG2 4.13Å
58	R	91.8	Very high	86.5	Confident	51 Å²	51	54.4 Å²	54.4	19%	0.192	28%	0.276	C	S	.	.			trans	-116.6	-43.3	-167.7	-172.6	63.8	63.9	126.3	15.1	112.9	D56 G72 T522	D56-R58 PolarHBondContact O-N 3.03Å; D56-R58 IonicContact OD1-CZ 2.71Å; D56-R58 IonicContact OD1-NE 3.66Å; D56-R58 PolarHBondContact OD1-NE 2.82Å; D56-R58 VanDerWaalsContact OD1-NE 3.13Å; D56-R58 IonicContact OD1-NH2 2.7Å; D56-R58 PolarHBondContact OD1-NH2 2.98Å; R58-G72 PolarHBondContact N-O 3.35Å; R58-T522 WeakPolarHBondContact O-CB 3.45Å; R58-T522 PolarHBondContact O-OG1 2.95Å
59	I	95.3	Very high	86.6	Confident	34 Å²	34	53.9 Å²	53.9	17%	0.174	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.2	-175.8	-53.2	-56	0	0	0	108.9	V71 G72 R120 I122	I59-V71 VanDerWaalsContact O-CA 3.27Å; I59-V71 WeakPolarHBondContact O-CA 3.26Å; I59-G72 PolarHBondContact N-O 3.17Å; I59-G72 PolarHBondContact O-N 2.89Å; I59-R120 VanDerWaalsContact CD1-O 3.25Å; I59-R120 WeakPolarHBondContact CD1-O 3.31Å; I59-I122 HydrophobicContact CB-CD1 4.35Å; I59-I122 HydrophobicContact CB-CG1 4.49Å; I59-I122 HydrophobicContact CG2-CB 3.98Å; I59-I122 HydrophobicContact CG2-CD1 4.07Å; I59-I122 HydrophobicContact CG2-CG1 3.93Å
60	L	96.6	Very high	86.9	Confident	22 Å²	22	51.1 Å²	51.1	12%	0.115	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	107.1	171.2	-66.2	-176.6	0	0	0	108.7	M69 V71 T522 T524 A535 V540	L60-M69 HydrophobicContact CB-SD 4.02Å; L60-M69 HydrophobicContact CD2-CG 4.34Å; L60-M69 HydrophobicContact CD2-SD 4.26Å; L60-V71 HydrophobicContact CD2-CG1 4.11Å; L60-V71 HydrophobicContact CD2-CG2 3.86Å; L60-T522 HydrophobicContact CB-CG2 4.17Å; L60-T522 HydrophobicContact CD1-CG2 4.2Å; L60-T522 HydrophobicContact CG-CG2 4.17Å; L60-T524 HydrophobicContact CB-CG2 4.02Å; L60-T524 HydrophobicContact CD1-CG2 4.05Å; L60-A535 HydrophobicContact CD1-CB 3.75Å; L60-A535 HydrophobicContact CD2-CB 3.95Å; L60-A535 HydrophobicContact CG-CB 3.86Å; L60-V540 HydrophobicContact CD2-CG1 4.39Å; L60-V540 HydrophobicContact CD2-CG2 4.32Å
61	L	96.3	Very high	88	Confident	34 Å²	34	49 Å²	49	18%	0.178	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	105.5	172.5	177.6	73.5	0	0	0	109.1	Y70 I122 L130	L61-Y70 HydrophobicContact CD2-CD2 4.08Å; L61-Y70 HydrophobicContact CG-CD2 4.45Å; L61-Y70 PolarHBondContact N-O 2.8Å; L61-Y70 PolarHBondContact O-N 2.79Å; L61-I122 HydrophobicContact CB-CB 4.45Å; L61-I122 HydrophobicContact CB-CG2 4.29Å; L61-I122 HydrophobicContact CD2-CB 4.38Å; L61-I122 HydrophobicContact CD2-CG2 3.65Å; L61-L130 HydrophobicContact CD2-CD2 3.77Å
62	K	94.7	Very high	89	Confident	63 Å²	63	45.3 Å²	45.3	27%	0.274	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.4	175.4	-177.2	-173.5	62.6	165.8	0	110.3	E64 M69 L82 I525	K62-E64 HydrophobicContact CD-CG 3.84Å; K62-E64 WeakPolarHBondContact CE-OE1 3.35Å; K62-E64 HydrophobicContact CG-CG 4Å; K62-E64 IonicContact NZ-OE1 3.82Å; K62-E64 PolarHBondContact NZ-OE1 2.82Å; K62-M69 HydrophobicContact CB-CE 3.75Å; K62-M69 HydrophobicContact CB-SD 4.2Å; K62-M69 HydrophobicContact CG-CE 4.07Å; K62-L82 HydrophobicContact CG-CD1 4.21Å; K62-L82 HydrophobicContact CG-CD2 4.08Å; K62-I525 PolarHBondContact NZ-O 3.46Å
63	D	92.3	Very high	90.6	Very high	17 Å²	17	37 Å²	37	9%	0.091	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	96.1	172.4	-171.1	-31.6	0	0	0	109.3	D65 H66 D67 R68 Y70 L82 R147	D63-D65 PolarHBondContact O-N 3.31Å; D63-D65 PolarHBondContact OD1-N 3.42Å; D63-D65 VanDerWaalsContact OD1-N 3.09Å; D63-H66 VanDerWaalsContact CG-ND1 3.33Å; D63-H66 IonicContact OD1-CG 3.84Å; D63-H66 PolarHBondContact OD1-N 3.05Å; D63-H66 IonicContact OD1-ND1 3.26Å; D63-H66 PolarHBondContact OD1-ND1 2.8Å; D63-H66 IonicContact OD2-CE1 3.99Å; D63-H66 IonicContact OD2-CG 3.55Å; D63-H66 IonicContact OD2-ND1 3.85Å; D63-H66 PolarHBondContact OD2-ND1 2.84Å; D63-D67 PolarHBondContact O-N 2.9Å; D63-R68 PolarHBondContact N-O 2.86Å; D63-R68 PolarHBondContact O-N 3.07Å; D63-R68 VanDerWaalsContact O-N 3.09Å; D63-Y70 HydrophobicContact CB-CD2 4.23Å; D63-Y70 HydrophobicContact CB-CE2 3.69Å; D63-L82 WeakPolarHBondContact O-CD1 3.38Å; D63-R147 IonicContact OD2-CZ 2.9Å; D63-R147 IonicContact OD2-NE 3.96Å; D63-R147 IonicContact OD2-NH1 3.45Å; D63-R147 PolarHBondContact OD2-NH1 2.79Å; D63-R147 IonicContact OD2-NH2 2.71Å; D63-R147 PolarHBondContact OD2-NH2 2.81Å
64	E	89.6	Confident	92	Very high	52 Å²	52	31.9 Å²	31.9	24%	0.243	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-13.2	-179.2	-64.2	-167.6	166.8	0	0	113.5	K62 D67 L82 S526	K62-E64 HydrophobicContact CD-CG 3.84Å; K62-E64 WeakPolarHBondContact CE-OE1 3.35Å; K62-E64 HydrophobicContact CG-CG 4Å; K62-E64 IonicContact NZ-OE1 3.82Å; K62-E64 PolarHBondContact NZ-OE1 2.82Å; E64-D67 VanDerWaalsContact O-OD1 3.1Å; E64-L82 HydrophobicContact CG-CD1 4.42Å; E64-S526 WeakPolarHBondContact OE1-CB 3.43Å; E64-S526 PolarHBondContact OE1-OG 2.86Å
65	D	87.6	Confident	93.1	Very high	128 Å²	128	32.8 Å²	32.8	68%	0.684	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-34.8	178.5	-69.4	-26.8	0	0	0	111.2	D63	D63-D65 PolarHBondContact O-N 3.31Å; D63-D65 PolarHBondContact OD1-N 3.42Å; D63-D65 VanDerWaalsContact OD1-N 3.09Å
66	H	87.1	Confident	93.5	Very high	29 Å²	29	32 Å²	32	13%	0.134	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-1	177.8	-65	83	0	0	0	113.5	D63 R68 R127	D63-H66 VanDerWaalsContact CG-ND1 3.33Å; D63-H66 IonicContact OD1-CG 3.84Å; D63-H66 PolarHBondContact OD1-N 3.05Å; D63-H66 IonicContact OD1-ND1 3.26Å; D63-H66 PolarHBondContact OD1-ND1 2.8Å; D63-H66 IonicContact OD2-CE1 3.99Å; D63-H66 IonicContact OD2-CG 3.55Å; D63-H66 IonicContact OD2-ND1 3.85Å; D63-H66 PolarHBondContact OD2-ND1 2.84Å; H66-R68 WeakPolarHBondContact O-CG 3.44Å; H66-R68 PolarHBondContact O-N 2.99Å; H66-R127 PolarHBondContact CE1-O 3.17Å; H66-R127 PolarHBondContact NE2-O 3.06Å
67	D	90.9	Very high	93.7	Very high	66 Å²	66	31.4 Å²	31.4	35%	0.353	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	35.4	-174.4	-73.6	-0.9	0	0	0	113.7	D63 E64 L82 R529	D63-D67 PolarHBondContact O-N 2.9Å; E64-D67 VanDerWaalsContact O-OD1 3.1Å; D67-L82 PolarHBondContact O-N 3.31Å; D67-R529 IonicContact OD1-CZ 2.65Å; D67-R529 IonicContact OD1-NH2 3.27Å; D67-R529 PolarHBondContact OD1-NH2 2.97Å; D67-R529 IonicContact OD2-CZ 3.28Å; D67-R529 IonicContact OD2-NH2 3.11Å; D67-R529 PolarHBondContact OD2-NH2 3.39Å
68	R	92.9	Very high	93.7	Very high	46 Å²	46	31.4 Å²	31.4	17%	0.174	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146	-177.2	-65.6	-61.3	-176.7	158.6	-2.1	113.6	D63 H66 Y70 S79 L80 E88	D63-R68 PolarHBondContact N-O 2.86Å; D63-R68 PolarHBondContact O-N 3.07Å; D63-R68 VanDerWaalsContact O-N 3.09Å; H66-R68 WeakPolarHBondContact O-CG 3.44Å; H66-R68 PolarHBondContact O-N 2.99Å; R68-Y70 HydrophobicContact CB-CE1 4.26Å; R68-Y70 HydrophobicContact CB-CE2 4.45Å; R68-S79 WeakPolarHBondContact CD-OG 3.47Å; R68-L80 CarbonylContact C-O 3.32Å; R68-L80 VanDerWaalsContact CA-O 3.26Å; R68-L80 WeakPolarHBondContact CA-O 3.47Å; R68-L80 VanDerWaalsContact CD-O 3.29Å; R68-L80 WeakPolarHBondContact CD-O 3.27Å; R68-E88 PolarHBondContact NH1-O 2.77Å
69	M	95.5	Very high	93.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.8	164.5	-178.8	66.4	61.7	0	0	108.3	L60 K62 V71 L80 L82 T524 Y533	L60-M69 HydrophobicContact CB-SD 4.02Å; L60-M69 HydrophobicContact CD2-CG 4.34Å; L60-M69 HydrophobicContact CD2-SD 4.26Å; K62-M69 HydrophobicContact CB-CE 3.75Å; K62-M69 HydrophobicContact CB-SD 4.2Å; K62-M69 HydrophobicContact CG-CE 4.07Å; M69-V71 HydrophobicContact CG-CG2 3.85Å; M69-L80 HydrophobicContact CB-CB 4.41Å; M69-L80 PolarHBondContact N-O 2.84Å; M69-L80 PolarHBondContact O-N 2.67Å; M69-L82 HydrophobicContact CB-CD2 3.8Å; M69-L82 HydrophobicContact CE-CD2 3.7Å; M69-T524 HydrophobicContact CE-CG2 3.63Å; M69-T524 HydrophobicContact SD-CG2 4.18Å; M69-Y533 HydrophobicContact CE-CD1 3.93Å; M69-Y533 HydrophobicContact CE-CD2 3.54Å; M69-Y533 HydrophobicContact CE-CE1 4.28Å; M69-Y533 HydrophobicContact CE-CE2 3.93Å; M69-Y533 HydrophobicContact CE-CG 3.55Å
70	Y	96.8	Very high	93.8	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.2	171.8	-57.6	-67.3	0	0	0	110.1	L61 D63 R68 L78 L130 R147 F187	L61-Y70 HydrophobicContact CD2-CD2 4.08Å; L61-Y70 HydrophobicContact CG-CD2 4.45Å; L61-Y70 PolarHBondContact N-O 2.8Å; L61-Y70 PolarHBondContact O-N 2.79Å; D63-Y70 HydrophobicContact CB-CD2 4.23Å; D63-Y70 HydrophobicContact CB-CE2 3.69Å; R68-Y70 HydrophobicContact CB-CE1 4.26Å; R68-Y70 HydrophobicContact CB-CE2 4.45Å; Y70-L78 CarbonylContact C-O 3.55Å; Y70-L78 VanDerWaalsContact CA-O 3.27Å; Y70-L78 WeakPolarHBondContact CA-O 3.48Å; Y70-L130 HydrophobicContact CD1-CD1 3.57Å; Y70-L130 HydrophobicContact CD2-CD1 3.9Å; Y70-L130 HydrophobicContact CD2-CD2 3.86Å; Y70-L130 HydrophobicContact CE1-CD1 3.64Å; Y70-L130 HydrophobicContact CE2-CD1 3.94Å; Y70-L130 HydrophobicContact CE2-CD2 3.92Å; Y70-L130 HydrophobicContact CE2-CG 4.41Å; Y70-L130 HydrophobicContact CG-CD1 3.71Å; Y70-L130 HydrophobicContact CG-CD2 4.41Å; Y70-R147 HydrophobicContact CE1-CB 4.45Å; Y70-R147 WeakPolarHBondContact OH-CD 3.22Å; Y70-F187 AromaticContact CD1-CE2 3.65Å; Y70-F187 HydrophobicContact CD1-CE2 3.65Å; Y70-F187 HydrophobicContact CD1-CZ 4.17Å; Y70-F187 HydrophobicContact CE1-CD2 4.09Å; Y70-F187 AromaticContact CE1-CE2 3.56Å; Y70-F187 HydrophobicContact CE1-CE2 3.56Å; Y70-F187 HydrophobicContact CE1-CZ 4.44Å
71	V	97	Very high	93.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.5	-176.4	-171	0	0	0	0	110.5	Y57 I59 L60 M69 L78 L80 V540	Y57-V71 HydrophobicContact CD1-CG1 3.86Å; I59-V71 VanDerWaalsContact O-CA 3.27Å; I59-V71 WeakPolarHBondContact O-CA 3.26Å; L60-V71 HydrophobicContact CD2-CG1 4.11Å; L60-V71 HydrophobicContact CD2-CG2 3.86Å; M69-V71 HydrophobicContact CG-CG2 3.85Å; V71-L78 HydrophobicContact CB-CB 4.1Å; V71-L78 HydrophobicContact CB-CD1 4.21Å; V71-L78 HydrophobicContact CB-CG 4.48Å; V71-L78 HydrophobicContact CG1-CD1 4.43Å; V71-L78 PolarHBondContact N-O 3.48Å; V71-L78 PolarHBondContact O-N 2.83Å; V71-L80 HydrophobicContact CG2-CD1 3.8Å; V71-L80 HydrophobicContact CG2-CG 4.22Å; V71-V540 HydrophobicContact CG1-CG2 3.96Å; V71-V540 HydrophobicContact CG2-CG2 4.36Å
72	G	96	Very high	93.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.1	171.8	0	0	0	0	0	110.7	R58 I59	R58-G72 PolarHBondContact N-O 3.35Å; I59-G72 PolarHBondContact N-O 3.17Å; I59-G72 PolarHBondContact O-N 2.89Å
73	S	95	Very high	93.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.			trans	-125.7	-178.1	172.8	72.1	0	0	0	0	111.6	D56 D75 Y76 V119	D56-S73 WeakPolarHBondContact O-CA 3.49Å; S73-D75 PolarHBondContact O-N 3.28Å; S73-Y76 PolarHBondContact N-O 2.81Å; S73-Y76 PolarHBondContact OG-O 2.92Å; S73-V119 WeakPolarHBondContact O-CG2 3.36Å; S73-V119 PolarHBondContact O-N 2.74Å
74	K	94.1	Very high	93	Very high	41 Å²	41	31.1 Å²	31.1	18%	0.178	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-61.8	124.6	165.4	-177.7	-175.1	171.7	175	0	109.5	T55 Y76 G113 F118	T55-K74 WeakPolarHBondContact O-CB 3.48Å; T55-K74 PolarHBondContact O-N 2.88Å; K74-Y76 WeakPolarHBondContact O-CD2 3.41Å; K74-Y76 PolarHBondContact O-N 3.13Å; K74-Y76 VanDerWaalsContact O-N 3.12Å; K74-G113 WeakPolarHBondContact CE-O 3.36Å; K74-G113 PolarHBondContact NZ-O 2.88Å; K74-F118 HydrophobicContact CB-CD1 3.85Å; K74-F118 HydrophobicContact CB-CE1 3.8Å; K74-F118 HydrophobicContact CB-CG 4.48Å; K74-F118 HydrophobicContact CB-CZ 4.38Å; K74-F118 HydrophobicContact CD-CE1 3.85Å; K74-F118 HydrophobicContact CD-CE2 4.24Å; K74-F118 HydrophobicContact CD-CZ 3.65Å; K74-F118 HydrophobicContact CG-CD1 4.09Å; K74-F118 HydrophobicContact CG-CD2 4.45Å; K74-F118 HydrophobicContact CG-CE1 3.82Å; K74-F118 HydrophobicContact CG-CE2 4.18Å; K74-F118 HydrophobicContact CG-CG 4.43Å; K74-F118 HydrophobicContact CG-CZ 3.88Å
75	D	93.8	Very high	93.1	Very high	27 Å²	27	28.6 Å²	28.6	14%	0.144	14%	0.139	C	C	.	.	S	Bend	trans	62.7	3	176.3	-57.5	-45.5	0	0	0	116.7	S73 H93 W94 A95 N117	S73-D75 PolarHBondContact O-N 3.28Å; D75-H93 PolarHBondContact O-CD2 3.07Å; D75-W94 CarbonylContact O-C 3.13Å; D75-W94 PolarHBondContact O-N 3.22Å; D75-A95 HydrophobicContact CB-CB 4Å; D75-A95 WeakPolarHBondContact OD1-CA 3.38Å; D75-N117 WeakPolarHBondContact CA-O 3.34Å; D75-N117 PolarHBondContact N-O 2.98Å; D75-N117 PolarHBondContact OD1-N 3.29Å
76	Y	94.5	Very high	93.3	Very high	45 Å²	45	25.8 Å²	25.8	18%	0.176	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.6	-176.9	-57	-98.7	0	0	0	113.5	F50 L51 T54 S73 K74 I91 I92 H93	F50-Y76 HydrophobicContact CE1-CG 4.47Å; F50-Y76 AromaticContact CE2-CD1 3.93Å; F50-Y76 HydrophobicContact CE2-CD1 3.93Å; F50-Y76 HydrophobicContact CE2-CD2 4.33Å; F50-Y76 AromaticContact CE2-CE1 3.91Å; F50-Y76 HydrophobicContact CE2-CE1 3.91Å; F50-Y76 HydrophobicContact CE2-CE2 4.39Å; F50-Y76 HydrophobicContact CE2-CG 4.15Å; F50-Y76 AromaticContact CZ-CD1 3.73Å; F50-Y76 HydrophobicContact CZ-CD1 3.73Å; F50-Y76 AromaticContact CZ-CD2 3.58Å; F50-Y76 HydrophobicContact CZ-CD2 3.58Å; F50-Y76 HydrophobicContact CZ-CE1 4.07Å; F50-Y76 HydrophobicContact CZ-CE2 4.01Å; F50-Y76 AromaticContact CZ-CG 3.48Å; F50-Y76 HydrophobicContact CZ-CG 3.48Å; F50-Y76 VanDerWaalsContact CZ-CG 3.48Å; L51-Y76 HydrophobicContact CD1-CE2 4.46Å; T54-Y76 HydrophobicContact CG2-CD2 3.82Å; T54-Y76 HydrophobicContact CG2-CE2 3.61Å; S73-Y76 PolarHBondContact N-O 2.81Å; S73-Y76 PolarHBondContact OG-O 2.92Å; K74-Y76 WeakPolarHBondContact O-CD2 3.41Å; K74-Y76 PolarHBondContact O-N 3.13Å; K74-Y76 VanDerWaalsContact O-N 3.12Å; Y76-I91 HydrophobicContact CD1-CG2 3.72Å; Y76-I91 HydrophobicContact CE1-CG2 4.37Å; Y76-I92 VanDerWaalsContact CA-O 3.23Å; Y76-I92 WeakPolarHBondContact CA-O 3.08Å; Y76-H93 HydrophobicContact CD1-CB 3.92Å; Y76-H93 AromaticContact CD1-CD2 3.85Å; Y76-H93 HydrophobicContact CE1-CB 3.72Å; Y76-H93 AromaticContact CE1-CD2 3.31Å; Y76-H93 WeakPolarHBondContact CE1-CD2 3Å; Y76-H93 AromaticContact CE1-CG 3.78Å; Y76-H93 AromaticContact CE2-CD2 3.95Å; Y76-H93 AromaticContact CZ-CD2 3.34Å
77	V	95.6	Very high	93.5	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.4	167.6	-172	0	0	0	0	107.4	I92 W94 V119 I122 V132 F187	V77-I92 HydrophobicContact CB-CB 4.35Å; V77-I92 PolarHBondContact N-O 2.98Å; V77-I92 PolarHBondContact O-N 2.87Å; V77-W94 HydrophobicContact CG2-CE3 4.26Å; V77-V119 HydrophobicContact CG2-CG2 3.89Å; V77-I122 HydrophobicContact CG1-CD1 4.14Å; V77-V132 HydrophobicContact CG2-CG1 3.95Å; V77-F187 HydrophobicContact CG1-CZ 4.1Å
78	L	94.7	Very high	93.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	150.3	-174.7	-44.4	171.6	0	0	0	110.4	F48 F50 Y57 Y70 V71 L80 L90 I91	F48-L78 HydrophobicContact CE1-CD1 3.98Å; F50-L78 HydrophobicContact CD1-CD1 4.03Å; F50-L78 HydrophobicContact CD1-CD2 4.13Å; F50-L78 HydrophobicContact CE1-CD1 3.92Å; F50-L78 HydrophobicContact CE1-CD2 3.77Å; F50-L78 HydrophobicContact CE1-CG 4.42Å; F50-L78 HydrophobicContact CZ-CD2 4.06Å; Y57-L78 HydrophobicContact CD1-CD1 4.14Å; Y57-L78 HydrophobicContact CE1-CD1 3.69Å; Y70-L78 CarbonylContact C-O 3.55Å; Y70-L78 VanDerWaalsContact CA-O 3.27Å; Y70-L78 WeakPolarHBondContact CA-O 3.48Å; V71-L78 HydrophobicContact CB-CB 4.1Å; V71-L78 HydrophobicContact CB-CD1 4.21Å; V71-L78 HydrophobicContact CB-CG 4.48Å; V71-L78 HydrophobicContact CG1-CD1 4.43Å; V71-L78 PolarHBondContact N-O 3.48Å; V71-L78 PolarHBondContact O-N 2.83Å; L78-L80 HydrophobicContact CB-CD2 4.22Å; L78-L80 HydrophobicContact CB-CG 4.48Å; L78-L90 CarbonylContact C-O 3.54Å; L78-L90 WeakPolarHBondContact CA-O 3.35Å; L78-I91 HydrophobicContact CD2-CB 4.08Å; L78-I91 HydrophobicContact CD2-CD1 4.33Å; L78-I91 HydrophobicContact CD2-CG1 3.8Å; L78-I91 HydrophobicContact CD2-CG2 3.7Å
79	S	94.9	Very high	93.2	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	105.8	168.2	159.2	0	0	0	0	108.6	R68 L90	R68-S79 WeakPolarHBondContact CD-OG 3.47Å; S79-L90 PolarHBondContact N-O 2.85Å; S79-L90 PolarHBondContact O-N 3.06Å
80	L	94.2	Very high	93	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	147.2	-178	-48.6	-179.3	0	0	0	109.6	F48 R68 M69 V71 L78 I85 P89	F48-L80 HydrophobicContact CD1-CD1 3.94Å; F48-L80 HydrophobicContact CD1-CD2 4.2Å; F48-L80 HydrophobicContact CD2-CD2 4.38Å; F48-L80 HydrophobicContact CE1-CD1 4.26Å; F48-L80 HydrophobicContact CE1-CD2 3.78Å; F48-L80 HydrophobicContact CE2-CD2 3.97Å; F48-L80 HydrophobicContact CG-CD1 4.23Å; F48-L80 HydrophobicContact CG-CD2 4.48Å; F48-L80 HydrophobicContact CZ-CD2 3.63Å; R68-L80 CarbonylContact C-O 3.32Å; R68-L80 VanDerWaalsContact CA-O 3.26Å; R68-L80 WeakPolarHBondContact CA-O 3.47Å; R68-L80 VanDerWaalsContact CD-O 3.29Å; R68-L80 WeakPolarHBondContact CD-O 3.27Å; M69-L80 HydrophobicContact CB-CB 4.41Å; M69-L80 PolarHBondContact N-O 2.84Å; M69-L80 PolarHBondContact O-N 2.67Å; V71-L80 HydrophobicContact CG2-CD1 3.8Å; V71-L80 HydrophobicContact CG2-CG 4.22Å; L78-L80 HydrophobicContact CB-CD2 4.22Å; L78-L80 HydrophobicContact CB-CG 4.48Å; L80-I85 HydrophobicContact CB-CB 4.26Å; L80-I85 HydrophobicContact CB-CG2 4.45Å; L80-I85 HydrophobicContact CD1-CB 4.24Å; L80-P89 HydrophobicContact CD2-CB 3.76Å
81	D	92.6	Very high	92.7	Very high	24 Å²	24	40.1 Å²	40.1	13%	0.128	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.7	173.5	178.8	-76.3	0	0	0	110.5	H83 D84 I85 R87	D81-H83 VanDerWaalsContact C-N 3.27Å; D81-H83 PolarHBondContact O-N 2.84Å; D81-H83 VanDerWaalsContact OD1-CA 3.3Å; D81-H83 WeakPolarHBondContact OD1-CA 3.44Å; D81-H83 WeakPolarHBondContact OD1-CB 3.48Å; D81-H83 PolarHBondContact OD1-N 2.94Å; D81-D84 WeakPolarHBondContact CB-O 3.48Å; D81-D84 CarbonylContact O-C 3.5Å; D81-D84 PolarHBondContact OD1-N 2.84Å; D81-I85 WeakPolarHBondContact O-CA 3.34Å; D81-I85 PolarHBondContact O-N 3.22Å; D81-R87 HydrophobicContact CB-CB 4.27Å
82	L	92	Very high	92.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-70.1	-21.6	-178.3	-78.7	179.4	0	0	0	113.5	K62 D63 E64 D67 M69 Y533	K62-L82 HydrophobicContact CG-CD1 4.21Å; K62-L82 HydrophobicContact CG-CD2 4.08Å; D63-L82 WeakPolarHBondContact O-CD1 3.38Å; E64-L82 HydrophobicContact CG-CD1 4.42Å; D67-L82 PolarHBondContact O-N 3.31Å; M69-L82 HydrophobicContact CB-CD2 3.8Å; M69-L82 HydrophobicContact CE-CD2 3.7Å; L82-Y533 HydrophobicContact CD2-CE1 4.17Å; L82-Y533 HydrophobicContact CD2-CE2 4.16Å; L82-Y533 PolarHBondContact O-OH 3.44Å
83	H	87.4	Confident	92.4	Very high	135 Å²	135	46.4 Å²	46.4	63%	0.625	22%	0.221	S	C	*	.	S	Bend	trans	-86.9	-43.5	-178.6	-150.8	70.6	0	0	0	111.7	D81	D81-H83 VanDerWaalsContact C-N 3.27Å; D81-H83 PolarHBondContact O-N 2.84Å; D81-H83 VanDerWaalsContact OD1-CA 3.3Å; D81-H83 WeakPolarHBondContact OD1-CA 3.44Å; D81-H83 WeakPolarHBondContact OD1-CB 3.48Å; D81-H83 PolarHBondContact OD1-N 2.94Å
84	D	89.9	Confident	92.4	Very high	54 Å²	54	47.3 Å²	47.3	29%	0.289	23%	0.225	S	C	.	.			trans	-138.4	106.8	171.8	177.2	5.3	0	0	0	109.6	D81 N86 R87	D81-D84 WeakPolarHBondContact CB-O 3.48Å; D81-D84 CarbonylContact O-C 3.5Å; D81-D84 PolarHBondContact OD1-N 2.84Å; D84-N86 PolarHBondContact O-N 3.18Å; D84-N86 WeakPolarHBondContact OD1-CB 3.44Å; D84-N86 PolarHBondContact OD1-N 2.04Å; D84-N86 PolarHBondContact OD1-ND2 3.25Å; D84-R87 HydrophobicContact CB-CB 4.02Å; D84-R87 VanDerWaalsContact O-CB 3.25Å; D84-R87 WeakPolarHBondContact O-CB 3.33Å; D84-R87 PolarHBondContact O-N 3.49Å
85	I	92.5	Very high	92.3	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.6	-177	62.7	169.4	0	0	0	114	H46 F48 L80 D81 Y533 V540 H542	H46-I85 HydrophobicContact CB-CG1 4.2Å; H46-I85 VanDerWaalsContact O-CD1 3.3Å; H46-I85 WeakPolarHBondContact O-CD1 3.29Å; F48-I85 HydrophobicContact CB-CB 4.49Å; F48-I85 HydrophobicContact CB-CD1 3.47Å; F48-I85 VanDerWaalsContact CB-CD1 3.47Å; F48-I85 HydrophobicContact CB-CG1 3.92Å; F48-I85 WeakPolarHBondContact CD2-O 3.38Å; L80-I85 HydrophobicContact CB-CB 4.26Å; L80-I85 HydrophobicContact CB-CG2 4.45Å; L80-I85 HydrophobicContact CD1-CB 4.24Å; D81-I85 WeakPolarHBondContact O-CA 3.34Å; D81-I85 PolarHBondContact O-N 3.22Å; I85-Y533 HydrophobicContact CG2-CD1 4.21Å; I85-Y533 HydrophobicContact CG2-CE1 4.05Å; I85-V540 HydrophobicContact CD1-CG1 4.4Å; I85-V540 WeakPolarHBondContact CD1-O 3.29Å; I85-H542 HydrophobicContact CD1-CB 3.8Å; I85-H542 HydrophobicContact CG1-CB 4.12Å; I85-H542 HydrophobicContact CG2-CB 3.81Å
86	N	91.4	Very high	92.3	Very high	69 Å²	69	46.2 Å²	46.2	37%	0.369	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-9.1	175	-59.6	-67.1	0	0	0	113.3	F47 F48 D84 E88	F47-N86 PolarHBondContact O-OD1 2.86Å; F48-N86 WeakPolarHBondContact CD2-OD1 3.09Å; D84-N86 PolarHBondContact O-N 3.18Å; D84-N86 WeakPolarHBondContact OD1-CB 3.44Å; D84-N86 PolarHBondContact OD1-N 2.04Å; D84-N86 PolarHBondContact OD1-ND2 3.25Å; N86-E88 PolarHBondContact O-N 3.49Å
87	R	90.6	Very high	92.2	Very high	138 Å²	138	47.2 Å²	47.2	52%	0.521	24%	0.241	S	C	.	.	S	Bend	trans	-81.3	117.4	-178.5	-175.5	-177.3	-179.8	177.6	1.1	110.6	D81 D84	D81-R87 HydrophobicContact CB-CB 4.27Å; D84-R87 HydrophobicContact CB-CB 4.02Å; D84-R87 VanDerWaalsContact O-CB 3.25Å; D84-R87 WeakPolarHBondContact O-CB 3.33Å; D84-R87 PolarHBondContact O-N 3.49Å
88	E	87.2	Confident	92.1	Very high	134 Å²	134	52.4 Å²	52.4	63%	0.626	28%	0.275	S	S	*	.	S	Bend	trans	44	59.2	173.2	-62.2	178.6	170.4	0	0	113.1	R68 N86 L90	R68-E88 PolarHBondContact NH1-O 2.77Å; N86-E88 PolarHBondContact O-N 3.49Å; E88-L90 PolarHBondContact O-N 3.19Å
89	P	90.9	Very high	92.1	Very high	46 Å²	46	58.6 Å²	58.6	30%	0.299	30%	0.304	S	S	.	.			trans	-64.6	127.2	177.2	29.3	-35.9	0	0	0	109.6	F48 L80	F48-P89 HydrophobicContact CE2-CB 3.72Å; F48-P89 HydrophobicContact CE2-CG 3.92Å; F48-P89 HydrophobicContact CZ-CB 3.8Å; F48-P89 HydrophobicContact CZ-CG 4.29Å; L80-P89 HydrophobicContact CD2-CB 3.76Å
90	L	91.3	Very high	92	Very high	55 Å²	55	61 Å²	61	29%	0.288	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.3	172.3	-51.5	176.8	0	0	0	108.5	L78 S79 E88 F187	L78-L90 CarbonylContact C-O 3.54Å; L78-L90 WeakPolarHBondContact CA-O 3.35Å; S79-L90 PolarHBondContact N-O 2.85Å; S79-L90 PolarHBondContact O-N 3.06Å; E88-L90 PolarHBondContact O-N 3.19Å; L90-F187 HydrophobicContact CB-CB 4.21Å; L90-F187 HydrophobicContact CB-CD1 3.46Å; L90-F187 VanDerWaalsContact CB-CD1 3.46Å; L90-F187 HydrophobicContact CB-CE1 4.08Å; L90-F187 HydrophobicContact CB-CG 4.06Å; L90-F187 HydrophobicContact CD1-CB 3.71Å; L90-F187 HydrophobicContact CD1-CD1 4.45Å; L90-F187 HydrophobicContact CD1-CG 4.2Å; L90-F187 WeakPolarHBondContact O-CE1 3.41Å
91	I	91.4	Very high	92	Very high	72 Å²	72	64 Å²	64	37%	0.369	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.3	-168.3	-54.6	-176.6	0	0	0	109	F50 Y76 L78	F50-I91 HydrophobicContact CB-CD1 4.12Å; F50-I91 HydrophobicContact CD2-CD1 3.67Å; F50-I91 HydrophobicContact CE2-CD1 4.23Å; F50-I91 HydrophobicContact CE2-CG2 4.1Å; F50-I91 HydrophobicContact CG-CD1 3.95Å; F50-I91 HydrophobicContact CZ-CG2 4.44Å; Y76-I91 HydrophobicContact CD1-CG2 3.72Å; Y76-I91 HydrophobicContact CE1-CG2 4.37Å; L78-I91 HydrophobicContact CD2-CB 4.08Å; L78-I91 HydrophobicContact CD2-CD1 4.33Å; L78-I91 HydrophobicContact CD2-CG1 3.8Å; L78-I91 HydrophobicContact CD2-CG2 3.7Å
92	I	92.8	Very high	92	Very high	15 Å²	15	68.9 Å²	68.9	8%	0.077	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.3	171.2	-64.2	170.7	0	0	0	107.6	Y76 V77 W94 V145 F187 L189	Y76-I92 VanDerWaalsContact CA-O 3.23Å; Y76-I92 WeakPolarHBondContact CA-O 3.08Å; V77-I92 HydrophobicContact CB-CB 4.35Å; V77-I92 PolarHBondContact N-O 2.98Å; V77-I92 PolarHBondContact O-N 2.87Å; I92-W94 HydrophobicContact CG2-CB 4.47Å; I92-V145 HydrophobicContact CD1-CG1 3.52Å; I92-V145 HydrophobicContact CD1-CG2 4.21Å; I92-F187 HydrophobicContact CD1-CD1 3.67Å; I92-F187 HydrophobicContact CD1-CD2 4.44Å; I92-F187 HydrophobicContact CD1-CE1 3.62Å; I92-F187 HydrophobicContact CD1-CE2 4.36Å; I92-F187 HydrophobicContact CD1-CG 4.12Å; I92-F187 HydrophobicContact CD1-CZ 3.98Å; I92-F187 HydrophobicContact CG1-CD1 3.74Å; I92-F187 HydrophobicContact CG1-CE1 3.7Å; I92-F187 HydrophobicContact CG1-CZ 4.49Å; I92-L189 HydrophobicContact CG2-CB 3.97Å; I92-L189 HydrophobicContact CG2-CD1 3.69Å; I92-L189 HydrophobicContact CG2-CG 4.49Å
93	H	93.5	Very high	92.1	Very high	117 Å²	117	72.2 Å²	72.2	54%	0.542	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	118.7	168.5	-178	-128.4	0	0	0	109.4	D75 Y76 A95	D75-H93 PolarHBondContact O-CD2 3.07Å; Y76-H93 HydrophobicContact CD1-CB 3.92Å; Y76-H93 AromaticContact CD1-CD2 3.85Å; Y76-H93 HydrophobicContact CE1-CB 3.72Å; Y76-H93 AromaticContact CE1-CD2 3.31Å; Y76-H93 WeakPolarHBondContact CE1-CD2 3Å; Y76-H93 AromaticContact CE1-CG 3.78Å; Y76-H93 AromaticContact CE2-CD2 3.95Å; Y76-H93 AromaticContact CZ-CD2 3.34Å; H93-A95 WeakPolarHBondContact NE2-CB 3.31Å
94	W	94.1	Very high	92.4	Very high	19 Å²	19	65.8 Å²	65.8	7%	0.072	34%	0.336	C	S	.	.			trans	-134	59.5	-177.2	-170.4	37.8	0	0	0	110.5	D75 V77 I92 N117 V119 V132 M141 T143 L189 L194	D75-W94 CarbonylContact O-C 3.13Å; D75-W94 PolarHBondContact O-N 3.22Å; V77-W94 HydrophobicContact CG2-CE3 4.26Å; I92-W94 HydrophobicContact CG2-CB 4.47Å; W94-N117 VanDerWaalsContact CD2-ND2 3.26Å; W94-N117 WeakPolarHBondContact O-CB 3.47Å; W94-N117 PolarHBondContact O-ND2 2.89Å; W94-V119 HydrophobicContact CE3-CG2 4.26Å; W94-V132 HydrophobicContact CE3-CG1 4.32Å; W94-V132 HydrophobicContact CZ3-CB 4.5Å; W94-V132 HydrophobicContact CZ3-CG1 3.76Å; W94-M141 HydrophobicContact CH2-CG 4.27Å; W94-M141 WeakPolarHBondContact CH2-O 3.19Å; W94-M141 HydrophobicContact CZ2-CE 3.86Å; W94-M141 HydrophobicContact CZ2-CG 3.89Å; W94-T143 HydrophobicContact CH2-CG2 3.77Å; W94-T143 HydrophobicContact CZ2-CG2 3.51Å; W94-T143 HydrophobicContact CZ3-CG2 4.4Å; W94-L189 HydrophobicContact CB-CD1 3.86Å; W94-L189 HydrophobicContact CD2-CD1 3.72Å; W94-L189 HydrophobicContact CE3-CD1 4.34Å; W94-L189 HydrophobicContact CG-CD1 3.49Å; W94-L189 VanDerWaalsContact CG-CD1 3.49Å; W94-L194 HydrophobicContact CZ2-CD1 4.33Å
95	A	93	Very high	92.5	Very high	36 Å²	36	66.5 Å²	66.5	30%	0.298	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-76.3	160.3	176.5	0	0	0	0	0	113.1	D75 H93	D75-A95 HydrophobicContact CB-CB 4Å; D75-A95 WeakPolarHBondContact OD1-CA 3.38Å; H93-A95 WeakPolarHBondContact NE2-CB 3.31Å
96	A	92.6	Very high	92.5	Very high	9 Å²	9	73 Å²	73	7%	0.074	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-66.8	151.9	167.6	0	0	0	0	0	111.2	I101 A137	A96-I101 HydrophobicContact CB-CD1 4.5Å; A96-I101 HydrophobicContact CB-CG1 4.03Å; A96-A137 HydrophobicContact CB-CB 3.67Å
97	S	92.7	Very high	92.4	Very high	67 Å²	67	73 Å²	73	47%	0.469	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-67.6	150	178.1	68	0	0	0	0	111.4	Q99 R100 I101	S97-Q99 VanDerWaalsContact C-N 3.27Å; S97-Q99 PolarHBondContact O-N 3.18Å; S97-R100 PolarHBondContact O-N 2.96Å; S97-R100 WeakPolarHBondContact OG-CB 3.48Å; S97-R100 PolarHBondContact OG-N 3.36Å; S97-I101 WeakPolarHBondContact O-CG1 3.47Å; S97-I101 PolarHBondContact O-N 2.81Å
98	P	93.3	Very high	92.3	Very high	109 Å²	109	69.5 Å²	69.5	71%	0.708	39%	0.387	S	S	*	.	H	α-helix	trans	-55	-40.9	179.4	-27.8	35.5	0	0	0	113.5	R100 I101 E102	P98-R100 VanDerWaalsContact C-N 3.32Å; P98-R100 PolarHBondContact O-N 3.48Å; P98-I101 PolarHBondContact O-N 3.34Å; P98-E102 PolarHBondContact O-N 2.9Å
99	Q	94.6	Very high	92.3	Very high	130 Å²	130	65.1 Å²	65.1	61%	0.607	37%	0.366	S	S	*	.	H	α-helix	trans	-58.8	-43.4	174.5	-177.6	-175	-9.7	0	0	111.5	S97 I101 E102 E103	S97-Q99 VanDerWaalsContact C-N 3.27Å; S97-Q99 PolarHBondContact O-N 3.18Å; Q99-I101 VanDerWaalsContact C-N 3.33Å; Q99-I101 PolarHBondContact O-N 3.01Å; Q99-E102 PolarHBondContact O-N 3.28Å; Q99-E103 PolarHBondContact NE2-OE1 3.3Å; Q99-E103 VanDerWaalsContact NE2-OE1 3.16Å; Q99-E103 WeakPolarHBondContact O-CG 3.25Å; Q99-E103 PolarHBondContact O-N 2.84Å
100	R	93.7	Very high	91.4	Very high	53 Å²	53	67.2 Å²	67.2	20%	0.2	38%	0.375	C	S	.	.	H	α-helix	trans	-68.3	-36	-179.8	-174.9	61.8	-164.2	167.9	-1.6	112.2	S97 P98 E102 E103 C104 A137 Y138	S97-R100 PolarHBondContact O-N 2.96Å; S97-R100 WeakPolarHBondContact OG-CB 3.48Å; S97-R100 PolarHBondContact OG-N 3.36Å; P98-R100 VanDerWaalsContact C-N 3.32Å; P98-R100 PolarHBondContact O-N 3.48Å; R100-E102 VanDerWaalsContact C-N 3.35Å; R100-E103 IonicContact CZ-OE2 3.81Å; R100-E103 IonicContact NH1-OE2 2.79Å; R100-E103 PolarHBondContact NH1-OE2 2.76Å; R100-E103 PolarHBondContact O-N 3Å; R100-C104 WeakPolarHBondContact O-CB 3.4Å; R100-C104 PolarHBondContact O-N 3.16Å; R100-A137 HydrophobicContact CG-CB 4.17Å; R100-A137 PolarHBondContact NE-O 3.31Å; R100-Y138 PolarHBondContact NH2-O 2.88Å
101	I	93.4	Very high	90	Very high	63 Å²	63	67.9 Å²	67.9	32%	0.323	40%	0.395	S	S	.	.	H	α-helix	trans	-62.4	-45.6	174.7	-62.8	175	0	0	0	109.8	A96 S97 P98 Q99 C104 V105 C115	A96-I101 HydrophobicContact CB-CD1 4.5Å; A96-I101 HydrophobicContact CB-CG1 4.03Å; S97-I101 WeakPolarHBondContact O-CG1 3.47Å; S97-I101 PolarHBondContact O-N 2.81Å; P98-I101 PolarHBondContact O-N 3.34Å; Q99-I101 VanDerWaalsContact C-N 3.33Å; Q99-I101 PolarHBondContact O-N 3.01Å; I101-C104 WeakPolarHBondContact O-CB 3.34Å; I101-C104 PolarHBondContact O-N 3.49Å; I101-V105 WeakPolarHBondContact O-CG2 3.47Å; I101-V105 PolarHBondContact O-N 2.84Å; I101-C115 WeakPolarHBondContact CG1-O 3.22Å; I101-C115 HydrophobicContact CG2-CB 4.07Å
102	E	93.2	Very high	88.7	Confident	126 Å²	126	71.3 Å²	71.3	59%	0.589	41%	0.414	S	S	*	.	H	α-helix	trans	-60.3	-47.5	176.5	-173	177.1	-173	0	0	111.9	P98 Q99 R100 C104 V105 L106	P98-E102 PolarHBondContact O-N 2.9Å; Q99-E102 PolarHBondContact O-N 3.28Å; R100-E102 VanDerWaalsContact C-N 3.35Å; E102-C104 VanDerWaalsContact C-N 3.31Å; E102-C104 PolarHBondContact O-N 2.89Å; E102-V105 PolarHBondContact O-N 2.86Å; E102-L106 HydrophobicContact CG-CD1 4.13Å; E102-L106 HydrophobicContact CG-CG 4.49Å; E102-L106 WeakPolarHBondContact O-CB 3.42Å; E102-L106 VanDerWaalsContact O-CG 3.32Å; E102-L106 WeakPolarHBondContact O-CG 3.18Å; E102-L106 PolarHBondContact O-N 3.31Å
103	E	93.8	Very high	88	Confident	70 Å²	70	71.9 Å²	71.9	33%	0.327	42%	0.423	S	S	.	.	H	α-helix	trans	-58.2	-41.3	175.2	-72.2	170.7	-168.9	0	0	112.6	Q99 R100 L106 S107	Q99-E103 PolarHBondContact NE2-OE1 3.3Å; Q99-E103 VanDerWaalsContact NE2-OE1 3.16Å; Q99-E103 WeakPolarHBondContact O-CG 3.25Å; Q99-E103 PolarHBondContact O-N 2.84Å; R100-E103 IonicContact CZ-OE2 3.81Å; R100-E103 IonicContact NH1-OE2 2.79Å; R100-E103 PolarHBondContact NH1-OE2 2.76Å; R100-E103 PolarHBondContact O-N 3Å; E103-L106 PolarHBondContact O-N 2.74Å; E103-S107 WeakPolarHBondContact O-CB 3.47Å; E103-S107 PolarHBondContact O-N 2.93Å; E103-S107 PolarHBondContact O-OG 2.88Å
104	C	93.6	Very high	87.5	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-62.5	-44.6	176.9	171.4	0	0	0	0	111.7	R100 I101 E102 S107 K109 C115 A137 Y138	R100-C104 WeakPolarHBondContact O-CB 3.4Å; R100-C104 PolarHBondContact O-N 3.16Å; I101-C104 WeakPolarHBondContact O-CB 3.34Å; I101-C104 PolarHBondContact O-N 3.49Å; E102-C104 VanDerWaalsContact C-N 3.31Å; E102-C104 PolarHBondContact O-N 2.89Å; C104-S107 WeakPolarHBondContact O-CB 3.43Å; C104-S107 PolarHBondContact O-N 3.19Å; C104-K109 PolarHBondContact O-N 2.82Å; C104-C115 VanDerWaalsContact C-SG 3.54Å; C104-C115 HydrophobicContact CB-CB 3.72Å; C104-C115 WeakPolarHBondContact CB-SG 3.2Å; C104-C115 VanDerWaalsContact SG-CA 3.51Å; C104-C115 WeakPolarHBondContact SG-CB 3.38Å; C104-C115 CovalentContact SG-SG 2.05Å; C104-C115 PolarHBondContact SG-SG 2.9Å; C104-A137 HydrophobicContact CB-CB 4.19Å; C104-Y138 VanDerWaalsContact SG-CD2 3.56Å
105	V	93.1	Very high	87.5	Confident	68 Å²	68	67.3 Å²	67.3	41%	0.412	40%	0.404	S	S	.	.	H	α-helix	trans	-66.5	-43.6	177.5	173.3	0	0	0	0	111	I101 E102 S107 G108 C115	I101-V105 WeakPolarHBondContact O-CG2 3.47Å; I101-V105 PolarHBondContact O-N 2.84Å; E102-V105 PolarHBondContact O-N 2.86Å; V105-S107 PolarHBondContact O-N 2.68Å; V105-G108 PolarHBondContact O-N 3.28Å; V105-C115 HydrophobicContact CG2-CB 4.33Å
106	L	92.2	Very high	87.5	Confident	138 Å²	138	65.7 Å²	65.7	72%	0.723	39%	0.391	S	S	*	.	H	α-helix	trans	-61.6	-26.6	175.2	-71.2	173.8	0	0	0	112.6	E102 E103 G108	E102-L106 HydrophobicContact CG-CD1 4.13Å; E102-L106 HydrophobicContact CG-CG 4.49Å; E102-L106 WeakPolarHBondContact O-CB 3.42Å; E102-L106 VanDerWaalsContact O-CG 3.32Å; E102-L106 WeakPolarHBondContact O-CG 3.18Å; E102-L106 PolarHBondContact O-N 3.31Å; E103-L106 PolarHBondContact O-N 2.74Å; L106-G108 PolarHBondContact O-N 3.02Å
107	S	89.8	Confident	87.6	Confident	69 Å²	69	65.2 Å²	65.2	48%	0.483	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	7.6	174.3	-55.6	0	0	0	0	113.5	E103 C104 V105	E103-S107 WeakPolarHBondContact O-CB 3.47Å; E103-S107 PolarHBondContact O-N 2.93Å; E103-S107 PolarHBondContact O-OG 2.88Å; C104-S107 WeakPolarHBondContact O-CB 3.43Å; C104-S107 PolarHBondContact O-N 3.19Å; V105-S107 PolarHBondContact O-N 2.68Å
108	G	87.8	Confident	87.7	Confident	63 Å²	63	62.9 Å²	62.9	65%	0.649	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	15.5	174.9	0	0	0	0	0	114.7	V105 L106	V105-G108 PolarHBondContact O-N 3.28Å; L106-G108 PolarHBondContact O-N 3.02Å
109	K	87.4	Confident	87.9	Confident	43 Å²	43	57.7 Å²	57.7	19%	0.187	34%	0.335	C	S	.	.			trans	-84.6	137.3	170.8	-61.4	-60.6	-170.8	162.6	0	109.6	C104 Y138 F226	C104-K109 PolarHBondContact O-N 2.82Å; K109-Y138 HydrophobicContact CB-CD2 4.49Å; K109-Y138 HydrophobicContact CB-CE2 4.04Å; K109-Y138 HydrophobicContact CD-CD1 4.49Å; K109-Y138 HydrophobicContact CD-CE1 3.87Å; K109-Y138 HydrophobicContact CD-CE2 3.95Å; K109-Y138 WeakPolarHBondContact CD-OH 3.37Å; K109-Y138 HydrophobicContact CG-CD2 4.03Å; K109-Y138 HydrophobicContact CG-CE1 4.27Å; K109-Y138 HydrophobicContact CG-CE2 3.73Å; K109-Y138 HydrophobicContact CG-CG 4.39Å; K109-Y138 VanDerWaalsContact NZ-CE1 3.3Å; K109-Y138 PolarHBondContact NZ-OH 2.95Å; K109-F226 HydrophobicContact CD-CZ 4.21Å; K109-F226 VanDerWaalsContact CE-CZ 3.45Å; K109-F226 HydrophobicContact CG-CE2 4.33Å; K109-F226 HydrophobicContact CG-CZ 3.81Å
110	D	71.9	Confident	88	Confident	90 Å²	90	52.1 Å²	52.1	48%	0.481	31%	0.309	S	S	.	.			trans	-61.4	140.8	-170.2	-81.2	-13.5	0	0	0	112.8	N112	D110-N112 HydrophobicContact CB-CB 4.12Å; D110-N112 PolarHBondContact O-N 2.87Å
111	G	61.6	Low	88.1	Confident	69 Å²	69	49.9 Å²	49.9	71%	0.711	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-1.3	168.2	0	0	0	0	0	114.4	G113	G111-G113 PolarHBondContact O-N 2.01Å
112	N	65.6	Low	88.3	Confident	144 Å²	144	47.1 Å²	47.1	77%	0.77	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	22.5	176.4	-71.5	-25.1	0	0	0	113.8	D110	D110-N112 HydrophobicContact CB-CB 4.12Å; D110-N112 PolarHBondContact O-N 2.87Å
113	G	76.3	Confident	88.4	Confident	26 Å²	26	42.7 Å²	42.7	27%	0.268	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	16.2	173.8	0	0	0	0	0	115.4	K74 G111 F118	K74-G113 WeakPolarHBondContact CE-O 3.36Å; K74-G113 PolarHBondContact NZ-O 2.88Å; G111-G113 PolarHBondContact O-N 2.01Å; G113-F118 WeakPolarHBondContact O-CZ 3.47Å
114	E	84.9	Confident	88.4	Confident	29 Å²	29	42.3 Å²	42.3	14%	0.136	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-27.7	174.5	-58.4	-168	166.7	0	0	113	G116 F118 Y138 K206	E114-G116 PolarHBondContact O-N 3.48Å; E114-F118 WeakPolarHBondContact O-CE2 3.37Å; E114-Y138 HydrophobicContact CB-CE2 4.12Å; E114-Y138 PolarHBondContact OE2-OH 3.48Å; E114-K206 WeakPolarHBondContact OE1-CE 3.16Å; E114-K206 IonicContact OE1-NZ 2.67Å; E114-K206 PolarHBondContact OE1-NZ 3.35Å
115	C	92.8	Very high	88.4	Confident	11 Å²	11	45 Å²	45	7%	0.074	28%	0.279	C	S	.	.	S	Bend	trans	-79.2	53.3	175.7	-63.2	0	0	0	0	112.2	I101 C104 V105 A137	I101-C115 WeakPolarHBondContact CG1-O 3.22Å; I101-C115 HydrophobicContact CG2-CB 4.07Å; C104-C115 VanDerWaalsContact C-SG 3.54Å; C104-C115 HydrophobicContact CB-CB 3.72Å; C104-C115 WeakPolarHBondContact CB-SG 3.2Å; C104-C115 VanDerWaalsContact SG-CA 3.51Å; C104-C115 WeakPolarHBondContact SG-CB 3.38Å; C104-C115 CovalentContact SG-SG 2.05Å; C104-C115 PolarHBondContact SG-SG 2.9Å; V105-C115 HydrophobicContact CG2-CB 4.33Å; C115-A137 HydrophobicContact CB-CB 4.26Å
116	G	92.9	Very high	88.2	Confident	2 Å²	2	45 Å²	45	2%	0.021	28%	0.277	C	S	.	.	S	Bend	trans	-121.4	175.6	171.4	0	0	0	0	0	111.4	E114 T135 A137	E114-G116 PolarHBondContact O-N 3.48Å; G116-T135 PolarHBondContact O-OG1 2.74Å; G116-T135 VanDerWaalsContact O-OG1 3.13Å; G116-A137 WeakPolarHBondContact O-CA 3.37Å; G116-A137 PolarHBondContact O-N 3.24Å
117	N	95.1	Very high	88	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.281	C	S	.	.			trans	-93.1	98.1	172.8	-174.7	24.4	0	0	0	110.5	D75 W94 G134 T135 G136	D75-N117 WeakPolarHBondContact CA-O 3.34Å; D75-N117 PolarHBondContact N-O 2.98Å; D75-N117 PolarHBondContact OD1-N 3.29Å; W94-N117 VanDerWaalsContact CD2-ND2 3.26Å; W94-N117 WeakPolarHBondContact O-CB 3.47Å; W94-N117 PolarHBondContact O-ND2 2.89Å; N117-G134 WeakPolarHBondContact OD1-CA 3.41Å; N117-T135 PolarHBondContact OD1-N 3.01Å; N117-T135 VanDerWaalsContact OD1-N 3.16Å; N117-G136 PolarHBondContact OD1-N 3.49Å
118	F	95.9	Very high	88	Confident	18 Å²	18	46.4 Å²	46.4	8%	0.079	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-87.5	116.1	177.4	-66.1	-102.6	0	0	0	109.5	D56 K74 G113 E114 R120 G134 T135 P205	D56-F118 HydrophobicContact CB-CD1 4.1Å; D56-F118 HydrophobicContact CB-CE1 4.16Å; D56-F118 WeakPolarHBondContact OD2-CD1 3.21Å; K74-F118 HydrophobicContact CB-CD1 3.85Å; K74-F118 HydrophobicContact CB-CE1 3.8Å; K74-F118 HydrophobicContact CB-CG 4.48Å; K74-F118 HydrophobicContact CB-CZ 4.38Å; K74-F118 HydrophobicContact CD-CE1 3.85Å; K74-F118 HydrophobicContact CD-CE2 4.24Å; K74-F118 HydrophobicContact CD-CZ 3.65Å; K74-F118 HydrophobicContact CG-CD1 4.09Å; K74-F118 HydrophobicContact CG-CD2 4.45Å; K74-F118 HydrophobicContact CG-CE1 3.82Å; K74-F118 HydrophobicContact CG-CE2 4.18Å; K74-F118 HydrophobicContact CG-CG 4.43Å; K74-F118 HydrophobicContact CG-CZ 3.88Å; G113-F118 WeakPolarHBondContact O-CZ 3.47Å; E114-F118 WeakPolarHBondContact O-CE2 3.37Å; F118-R120 PolarHBondContact O-N 3.3Å; F118-G134 CarbonylContact O-C 3.55Å; F118-G134 WeakPolarHBondContact O-CA 3.49Å; F118-T135 HydrophobicContact CB-CG2 3.93Å; F118-T135 PolarHBondContact N-OG1 2.97Å; F118-T135 PolarHBondContact O-N 2.82Å; F118-P205 HydrophobicContact CB-CB 3.83Å; F118-P205 HydrophobicContact CD1-CB 3.9Å; F118-P205 HydrophobicContact CD2-CB 3.5Å; F118-P205 HydrophobicContact CD2-CG 3.86Å; F118-P205 HydrophobicContact CE1-CB 4.29Å; F118-P205 HydrophobicContact CE2-CB 3.95Å; F118-P205 HydrophobicContact CE2-CG 3.87Å; F118-P205 HydrophobicContact CG-CB 3.46Å; F118-P205 VanDerWaalsContact CG-CB 3.46Å; F118-P205 HydrophobicContact CG-CG 4.3Å; F118-P205 HydrophobicContact CZ-CB 4.3Å; F118-P205 HydrophobicContact CZ-CG 4.31Å
119	V	97	Very high	88.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	125.5	176.8	-179.3	0	0	0	0	109.1	S73 V77 W94 I122 V132	S73-V119 WeakPolarHBondContact O-CG2 3.36Å; S73-V119 PolarHBondContact O-N 2.74Å; V77-V119 HydrophobicContact CG2-CG2 3.89Å; W94-V119 HydrophobicContact CE3-CG2 4.26Å; V119-I122 HydrophobicContact CG1-CD1 4.06Å; V119-I122 HydrophobicContact CG1-CG1 3.8Å; V119-V132 HydrophobicContact CG1-CG1 3.91Å
120	R	96.1	Very high	88.7	Confident	13 Å²	13	42.4 Å²	42.4	5%	0.049	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	-11.9	-175.8	-69.3	-73.7	172.6	-101.4	6	113.2	D56 I59 F118 C133 T135 P202 P205	D56-R120 IonicContact OD1-NH2 3.99Å; D56-R120 IonicContact OD2-CZ 3.47Å; D56-R120 IonicContact OD2-NH1 3.74Å; D56-R120 PolarHBondContact OD2-NH1 3.37Å; D56-R120 IonicContact OD2-NH2 3.82Å; D56-R120 PolarHBondContact OD2-NH2 3.36Å; I59-R120 VanDerWaalsContact CD1-O 3.25Å; I59-R120 WeakPolarHBondContact CD1-O 3.31Å; F118-R120 PolarHBondContact O-N 3.3Å; R120-C133 PolarHBondContact N-O 3Å; R120-T135 HydrophobicContact CG-CG2 4.14Å; R120-P202 HydrophobicContact CB-CG 4.41Å; R120-P202 HydrophobicContact CG-CG 4.01Å; R120-P205 PolarHBondContact NE-O 2.85Å; R120-P205 PolarHBondContact NH2-O 2.84Å
121	L	96.3	Very high	89.8	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	128.1	179.2	-168.2	118.5	0	0	0	110.1	Q123 Y131 V132 C133 S211 L218	L121-Q123 HydrophobicContact CD1-CG 4.4Å; L121-Q123 HydrophobicContact CD2-CB 4.48Å; L121-Q123 HydrophobicContact CD2-CG 4.03Å; L121-Q123 HydrophobicContact CG-CG 4.04Å; L121-Y131 HydrophobicContact CD2-CD1 3.66Å; L121-Y131 HydrophobicContact CD2-CE1 4.18Å; L121-V132 VanDerWaalsContact O-CA 3.3Å; L121-V132 WeakPolarHBondContact O-CA 3.32Å; L121-V132 WeakPolarHBondContact O-CG1 3.02Å; L121-C133 HydrophobicContact CB-CB 3.85Å; L121-C133 HydrophobicContact CD2-CB 4.38Å; L121-C133 PolarHBondContact N-O 2.82Å; L121-C133 PolarHBondContact O-N 2.91Å; L121-S211 VanDerWaalsContact CD1-CB 3.42Å; L121-S211 WeakPolarHBondContact CD1-OG 3Å; L121-L218 HydrophobicContact CD1-CD1 3.98Å; L121-L218 HydrophobicContact CD1-CD2 4.21Å; L121-L218 HydrophobicContact CD2-CD1 4.46Å; L121-L218 HydrophobicContact CD2-CD2 4.27Å
122	I	97	Very high	91.5	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	118	164.9	-55.6	177.5	0	0	0	106	I59 L61 V77 V119 L130 Y131 V132	I59-I122 HydrophobicContact CB-CD1 4.35Å; I59-I122 HydrophobicContact CB-CG1 4.49Å; I59-I122 HydrophobicContact CG2-CB 3.98Å; I59-I122 HydrophobicContact CG2-CD1 4.07Å; I59-I122 HydrophobicContact CG2-CG1 3.93Å; L61-I122 HydrophobicContact CB-CB 4.45Å; L61-I122 HydrophobicContact CB-CG2 4.29Å; L61-I122 HydrophobicContact CD2-CB 4.38Å; L61-I122 HydrophobicContact CD2-CG2 3.65Å; V77-I122 HydrophobicContact CG1-CD1 4.14Å; V119-I122 HydrophobicContact CG1-CD1 4.06Å; V119-I122 HydrophobicContact CG1-CG1 3.8Å; I122-L130 HydrophobicContact CG2-CB 4.49Å; I122-L130 HydrophobicContact CG2-CD1 4.37Å; I122-L130 HydrophobicContact CG2-CD2 4.07Å; I122-Y131 WeakPolarHBondContact CA-O 2.99Å; I122-V132 HydrophobicContact CG1-CG1 4.15Å; I122-V132 HydrophobicContact CG1-CG2 4.41Å; I122-V132 HydrophobicContact CG2-CG2 4.24Å
123	Q	95.6	Very high	93.1	Very high	34 Å²	34	28 Å²	28	16%	0.159	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.4	-179.4	-68.8	-69.1	-7.4	0	0	110.5	L121 W125 L130 Y131 S211 L213	L121-Q123 HydrophobicContact CD1-CG 4.4Å; L121-Q123 HydrophobicContact CD2-CB 4.48Å; L121-Q123 HydrophobicContact CD2-CG 4.03Å; L121-Q123 HydrophobicContact CG-CG 4.04Å; Q123-W125 PolarHBondContact O-N 3.33Å; Q123-L130 CarbonylContact O-C 3.57Å; Q123-L130 WeakPolarHBondContact O-CA 3.17Å; Q123-Y131 PolarHBondContact N-O 2.87Å; Q123-Y131 PolarHBondContact O-N 3.46Å; Q123-S211 PolarHBondContact NE2-O 2.04Å; Q123-S211 PolarHBondContact NE2-OG 3.41Å; Q123-L213 HydrophobicContact CB-CB 3.82Å; Q123-L213 HydrophobicContact CB-CD2 3.84Å; Q123-L213 HydrophobicContact CB-CG 4.48Å; Q123-L213 HydrophobicContact CG-CB 4.02Å
124	P	94.1	Very high	94	Very high	61 Å²	61	26.8 Å²	26.8	40%	0.396	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	110.1	174.8	29.4	-31.8	0	0	0	110.4	L213	P124-L213 WeakPolarHBondContact O-CD2 3.4Å
125	W	92.8	Very high	94.6	Very high	58 Å²	58	25.4 Å²	25.4	22%	0.22	12%	0.117	C	C	.	.			trans	-77.1	-48.8	178.1	177.3	-107.7	0	0	0	111.6	Q123 H129 Y144 L213 E216 L237	Q123-W125 PolarHBondContact O-N 3.33Å; W125-H129 HydrophobicContact CB-CB 4.27Å; W125-H129 WeakPolarHBondContact CB-O 3.15Å; W125-H129 PolarHBondContact N-O 2.93Å; W125-Y144 HydrophobicContact CB-CD1 4.48Å; W125-Y144 AromaticContact CD1-CE1 3.89Å; W125-Y144 HydrophobicContact CD2-CD1 4.43Å; W125-Y144 AromaticContact CD2-CE1 3.7Å; W125-Y144 HydrophobicContact CD2-CE1 3.7Å; W125-Y144 AromaticContact CE2-CE1 3.77Å; W125-Y144 HydrophobicContact CE3-CE1 4.2Å; W125-Y144 HydrophobicContact CG-CD1 4.07Å; W125-Y144 AromaticContact CG-CE1 3.82Å; W125-Y144 HydrophobicContact CG-CE1 3.82Å; W125-Y144 HydrophobicContact CZ2-CE1 4.35Å; W125-Y144 AromaticContact NE1-CE1 3.87Å; W125-L213 HydrophobicContact CE3-CD1 4.32Å; W125-L213 HydrophobicContact CE3-CD2 3.95Å; W125-L213 HydrophobicContact CZ3-CD1 4.24Å; W125-E216 HydrophobicContact CH2-CB 3.73Å; W125-E216 HydrophobicContact CH2-CG 4.16Å; W125-E216 HydrophobicContact CZ2-CB 4.35Å; W125-E216 HydrophobicContact CZ2-CG 4.31Å; W125-E216 HydrophobicContact CZ3-CB 4.1Å; W125-L237 HydrophobicContact CZ3-CD1 3.94Å
126	N	90.2	Very high	94.7	Very high	66 Å²	66	24.9 Å²	24.9	35%	0.353	11%	0.114	S	C	.	.	S	Bend	trans	-153.1	-170.8	173.2	63.1	33.8	0	0	0	108.7	T128 H129 R147	N126-T128 PolarHBondContact O-N 2.81Å; N126-T128 VanDerWaalsContact O-N 3.15Å; N126-T128 WeakPolarHBondContact OD1-CA 3.42Å; N126-T128 PolarHBondContact OD1-N 2.86Å; N126-T128 PolarHBondContact OD1-OG1 2.82Å; N126-T128 VanDerWaalsContact OD1-OG1 3.05Å; N126-H129 PolarHBondContact N-O 3.34Å; N126-H129 VanDerWaalsContact O-O 3.14Å; N126-H129 PolarHBondContact OD1-N 2.79Å; N126-H129 PolarHBondContact OD1-ND1 2.97Å; N126-R147 PolarHBondContact O-NH2 3.28Å
127	R	87.8	Confident	94.8	Very high	214 Å²	214	24.8 Å²	24.8	81%	0.808	11%	0.113	S	C	*	.	S	Bend	trans	-57.6	-31.6	-179.5	-69.3	-174.6	177.8	159.4	0.7	113.3	H66 R147	H66-R127 PolarHBondContact CE1-O 3.17Å; H66-R127 PolarHBondContact NE2-O 3.06Å; R127-R147 PolarHBondContact O-NE 3.39Å; R127-R147 PolarHBondContact O-NH2 2.69Å
128	T	89.6	Confident	94.8	Very high	24 Å²	24	24.8 Å²	24.8	15%	0.147	11%	0.113	C	C	.	.	S	Bend	trans	-107.3	-15.4	-172.6	54.8	0	0	0	0	114.9	N126 N146 R147 G148 R149	N126-T128 PolarHBondContact O-N 2.81Å; N126-T128 VanDerWaalsContact O-N 3.15Å; N126-T128 WeakPolarHBondContact OD1-CA 3.42Å; N126-T128 PolarHBondContact OD1-N 2.86Å; N126-T128 PolarHBondContact OD1-OG1 2.82Å; N126-T128 VanDerWaalsContact OD1-OG1 3.05Å; T128-N146 CarbonylContact O-C 3.57Å; T128-N146 WeakPolarHBondContact O-CA 3.47Å; T128-N146 PolarHBondContact O-OD1 2.73Å; T128-R147 VanDerWaalsContact O-CG 3.22Å; T128-R147 WeakPolarHBondContact O-CG 3.06Å; T128-R147 PolarHBondContact O-N 2.85Å; T128-G148 WeakPolarHBondContact CA-O 3.49Å; T128-R149 HydrophobicContact CG2-CB 4.28Å; T128-R149 HydrophobicContact CG2-CG 3.2Å
129	H	92.9	Very high	94.7	Very high	22 Å²	22	27.4 Å²	27.4	10%	0.102	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.4	-174.3	-64.5	73.2	0	0	0	111.6	W125 N126 V145 E190	W125-H129 HydrophobicContact CB-CB 4.27Å; W125-H129 WeakPolarHBondContact CB-O 3.15Å; W125-H129 PolarHBondContact N-O 2.93Å; N126-H129 PolarHBondContact N-O 3.34Å; N126-H129 VanDerWaalsContact O-O 3.14Å; N126-H129 PolarHBondContact OD1-N 2.79Å; N126-H129 PolarHBondContact OD1-ND1 2.97Å; H129-V145 CarbonylContact C-O 3.54Å; H129-V145 VanDerWaalsContact CA-O 3.28Å; H129-V145 WeakPolarHBondContact CA-O 3.5Å; H129-E190 IonicContact CD2-OE1 2.7Å; H129-E190 IonicContact CD2-OE2 2.79Å; H129-E190 IonicContact NE2-OE1 3.64Å; H129-E190 PolarHBondContact NE2-OE1 2.98Å; H129-E190 IonicContact NE2-OE2 3.7Å
130	L	95.5	Very high	94.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	143.5	163.3	-62.7	161.1	0	0	0	108.6	L61 Y70 I122 Q123 V132 Y144 V145 R147 F187	L61-L130 HydrophobicContact CD2-CD2 3.77Å; Y70-L130 HydrophobicContact CD1-CD1 3.57Å; Y70-L130 HydrophobicContact CD2-CD1 3.9Å; Y70-L130 HydrophobicContact CD2-CD2 3.86Å; Y70-L130 HydrophobicContact CE1-CD1 3.64Å; Y70-L130 HydrophobicContact CE2-CD1 3.94Å; Y70-L130 HydrophobicContact CE2-CD2 3.92Å; Y70-L130 HydrophobicContact CE2-CG 4.41Å; Y70-L130 HydrophobicContact CG-CD1 3.71Å; Y70-L130 HydrophobicContact CG-CD2 4.41Å; I122-L130 HydrophobicContact CG2-CB 4.49Å; I122-L130 HydrophobicContact CG2-CD1 4.37Å; I122-L130 HydrophobicContact CG2-CD2 4.07Å; Q123-L130 CarbonylContact O-C 3.57Å; Q123-L130 WeakPolarHBondContact O-CA 3.17Å; L130-V132 HydrophobicContact CB-CG2 4.01Å; L130-Y144 CarbonylContact O-C 3.58Å; L130-Y144 VanDerWaalsContact O-CA 3.29Å; L130-Y144 WeakPolarHBondContact O-CA 3.47Å; L130-V145 HydrophobicContact CB-CB 4.24Å; L130-V145 HydrophobicContact CD1-CG1 4.44Å; L130-V145 PolarHBondContact N-O 3.28Å; L130-V145 PolarHBondContact O-N 3.05Å; L130-R147 HydrophobicContact CD1-CB 4.4Å; L130-R147 HydrophobicContact CG-CG 4.43Å; L130-F187 HydrophobicContact CD1-CE2 4.26Å
131	Y	96.6	Very high	94.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.1	164.2	-167.9	-111.8	0	0	0	108.7	L121 I122 Q123 C133 C142 Y144 E195 K200 L218 L237	L121-Y131 HydrophobicContact CD2-CD1 3.66Å; L121-Y131 HydrophobicContact CD2-CE1 4.18Å; I122-Y131 WeakPolarHBondContact CA-O 2.99Å; Q123-Y131 PolarHBondContact N-O 2.87Å; Q123-Y131 PolarHBondContact O-N 3.46Å; Y131-C133 VanDerWaalsContact CE1-SG 3.54Å; Y131-C142 HydrophobicContact CE1-CB 4.1Å; Y131-C142 HydrophobicContact CE2-CB 4.16Å; Y131-C142 VanDerWaalsContact OH-CB 3.23Å; Y131-C142 WeakPolarHBondContact OH-CB 3.41Å; Y131-Y144 AromaticContact CD2-CD1 3.99Å; Y131-Y144 HydrophobicContact CD2-CD1 3.99Å; Y131-Y144 AromaticContact CD2-CE1 3.58Å; Y131-Y144 HydrophobicContact CD2-CE1 3.58Å; Y131-Y144 HydrophobicContact CD2-CE2 4.23Å; Y131-Y144 HydrophobicContact CD2-CG 4.49Å; Y131-Y144 AromaticContact CD2-CZ 3.71Å; Y131-Y144 HydrophobicContact CE2-CE1 4.11Å; Y131-Y144 HydrophobicContact CE2-CE2 4.07Å; Y131-Y144 AromaticContact CE2-CZ 3.73Å; Y131-E195 PolarHBondContact OH-OE2 3.47Å; Y131-K200 HydrophobicContact CE1-CD 4.27Å; Y131-K200 VanDerWaalsContact OH-CD 3.27Å; Y131-K200 WeakPolarHBondContact OH-CD 3.47Å; Y131-K200 WeakPolarHBondContact OH-CE 3.44Å; Y131-K200 PolarHBondContact OH-NZ 2.82Å; Y131-L218 HydrophobicContact CD1-CD2 4.49Å; Y131-L218 HydrophobicContact CE1-CD2 4.04Å; Y131-L237 HydrophobicContact CD1-CD1 4.27Å; Y131-L237 HydrophobicContact CE1-CD1 3.85Å; Y131-L237 HydrophobicContact CE2-CD1 4.42Å
132	V	97.4	Very high	94.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.4	-172.1	-174.5	0	0	0	0	110	V77 W94 V119 L121 I122 L130 C142 T143 V145	V77-V132 HydrophobicContact CG2-CG1 3.95Å; W94-V132 HydrophobicContact CE3-CG1 4.32Å; W94-V132 HydrophobicContact CZ3-CB 4.5Å; W94-V132 HydrophobicContact CZ3-CG1 3.76Å; V119-V132 HydrophobicContact CG1-CG1 3.91Å; L121-V132 VanDerWaalsContact O-CA 3.3Å; L121-V132 WeakPolarHBondContact O-CA 3.32Å; L121-V132 WeakPolarHBondContact O-CG1 3.02Å; I122-V132 HydrophobicContact CG1-CG1 4.15Å; I122-V132 HydrophobicContact CG1-CG2 4.41Å; I122-V132 HydrophobicContact CG2-CG2 4.24Å; L130-V132 HydrophobicContact CB-CG2 4.01Å; V132-C142 CarbonylContact O-C 3.42Å; V132-C142 WeakPolarHBondContact O-CA 3.27Å; V132-T143 PolarHBondContact N-O 2.93Å; V132-T143 PolarHBondContact O-N 3.18Å; V132-V145 HydrophobicContact CB-CG2 4.4Å; V132-V145 HydrophobicContact CG2-CB 4.31Å; V132-V145 HydrophobicContact CG2-CG2 3.78Å
133	C	97.5	Very high	94.7	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.4	174.4	-51.4	0	0	0	0	112.1	R120 L121 Y131 M141 C142 C201	R120-C133 PolarHBondContact N-O 3Å; L121-C133 HydrophobicContact CB-CB 3.85Å; L121-C133 HydrophobicContact CD2-CB 4.38Å; L121-C133 PolarHBondContact N-O 2.82Å; L121-C133 PolarHBondContact O-N 2.91Å; Y131-C133 VanDerWaalsContact CE1-SG 3.54Å; C133-M141 VanDerWaalsContact CA-O 3.27Å; C133-M141 WeakPolarHBondContact CA-O 3.4Å; C133-C142 HydrophobicContact CB-CB 4.04Å; C133-C142 WeakPolarHBondContact CB-SG 3.36Å; C133-C142 WeakPolarHBondContact SG-CB 3.22Å; C133-C142 CovalentContact SG-SG 2.03Å; C133-C142 PolarHBondContact SG-SG 2.87Å; C133-C201 HydrophobicContact CB-CB 3.6Å
134	G	96.9	Very high	94.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	167.1	173.4	0	0	0	0	0	112.8	N117 F118 G136 P140 M141 C201	N117-G134 WeakPolarHBondContact OD1-CA 3.41Å; F118-G134 CarbonylContact O-C 3.55Å; F118-G134 WeakPolarHBondContact O-CA 3.49Å; G134-G136 PolarHBondContact O-N 2.85Å; G134-P140 WeakPolarHBondContact O-CA 3.38Å; G134-M141 PolarHBondContact N-O 3.36Å; G134-M141 PolarHBondContact O-N 2.95Å; G134-C201 VanDerWaalsContact CA-SG 3.55Å; G134-C201 PolarHBondContact O-SG 2.94Å
135	T	95.9	Very high	94.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.109	C	C	.	.			trans	-66.3	-20.3	-173.8	61.9	0	0	0	0	114	G116 N117 F118 R120 A137 Y138 N139 P202 P205	G116-T135 PolarHBondContact O-OG1 2.74Å; G116-T135 VanDerWaalsContact O-OG1 3.13Å; N117-T135 PolarHBondContact OD1-N 3.01Å; N117-T135 VanDerWaalsContact OD1-N 3.16Å; F118-T135 HydrophobicContact CB-CG2 3.93Å; F118-T135 PolarHBondContact N-OG1 2.97Å; F118-T135 PolarHBondContact O-N 2.82Å; R120-T135 HydrophobicContact CG-CG2 4.14Å; T135-A137 VanDerWaalsContact C-N 3.3Å; T135-A137 PolarHBondContact O-N 3.31Å; T135-Y138 CarbonylContact O-C 3.58Å; T135-Y138 PolarHBondContact O-N 2.93Å; T135-Y138 VanDerWaalsContact O-N 3.12Å; T135-N139 CarbonylContact O-C 3.6Å; T135-N139 PolarHBondContact O-N 2.81Å; T135-P202 WeakPolarHBondContact CG2-O 3.44Å; T135-P205 HydrophobicContact CG2-CB 4.15Å
136	G	95.1	Very high	94.7	Very high	1 Å²	1	23 Å²	23	1%	0.01	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	39.3	175.6	0	0	0	0	0	114.9	N117 G134 N139	N117-G136 PolarHBondContact OD1-N 3.49Å; G134-G136 PolarHBondContact O-N 2.85Å; G136-N139 WeakPolarHBondContact CA-O 3.5Å; G136-N139 PolarHBondContact O-N 3.27Å
137	A	95.2	Very high	94.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	63	-171.1	0	0	0	0	0	111.9	A96 R100 C104 C115 G116 T135 N139	A96-A137 HydrophobicContact CB-CB 3.67Å; R100-A137 HydrophobicContact CG-CB 4.17Å; R100-A137 PolarHBondContact NE-O 3.31Å; C104-A137 HydrophobicContact CB-CB 4.19Å; C115-A137 HydrophobicContact CB-CB 4.26Å; G116-A137 WeakPolarHBondContact O-CA 3.37Å; G116-A137 PolarHBondContact O-N 3.24Å; T135-A137 VanDerWaalsContact C-N 3.3Å; T135-A137 PolarHBondContact O-N 3.31Å; A137-N139 PolarHBondContact O-N 3.48Å
138	Y	94.8	Very high	94.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	36.5	-174.8	-66.3	-102	0	0	0	112.9	R100 C104 K109 E114 T135 Y203 D204 F226	R100-Y138 PolarHBondContact NH2-O 2.88Å; C104-Y138 VanDerWaalsContact SG-CD2 3.56Å; K109-Y138 HydrophobicContact CB-CD2 4.49Å; K109-Y138 HydrophobicContact CB-CE2 4.04Å; K109-Y138 HydrophobicContact CD-CD1 4.49Å; K109-Y138 HydrophobicContact CD-CE1 3.87Å; K109-Y138 HydrophobicContact CD-CE2 3.95Å; K109-Y138 WeakPolarHBondContact CD-OH 3.37Å; K109-Y138 HydrophobicContact CG-CD2 4.03Å; K109-Y138 HydrophobicContact CG-CE1 4.27Å; K109-Y138 HydrophobicContact CG-CE2 3.73Å; K109-Y138 HydrophobicContact CG-CG 4.39Å; K109-Y138 VanDerWaalsContact NZ-CE1 3.3Å; K109-Y138 PolarHBondContact NZ-OH 2.95Å; E114-Y138 HydrophobicContact CB-CE2 4.12Å; E114-Y138 PolarHBondContact OE2-OH 3.48Å; T135-Y138 CarbonylContact O-C 3.58Å; T135-Y138 PolarHBondContact O-N 2.93Å; T135-Y138 VanDerWaalsContact O-N 3.12Å; Y138-Y203 VanDerWaalsContact O-CD1 3.24Å; Y138-Y203 WeakPolarHBondContact O-CD1 3.39Å; Y138-D204 HydrophobicContact CE1-CB 3.74Å; Y138-F226 VanDerWaalsContact CB-CE2 3.48Å; Y138-F226 AromaticContact CD1-CD2 3.96Å; Y138-F226 HydrophobicContact CD1-CD2 3.96Å; Y138-F226 AromaticContact CD1-CE2 3.81Å; Y138-F226 HydrophobicContact CD1-CE2 3.81Å; Y138-F226 HydrophobicContact CG-CD2 4.2Å; Y138-F226 AromaticContact CG-CE2 3.81Å; Y138-F226 HydrophobicContact CG-CE2 3.81Å
139	N	95.4	Very high	93.4	Very high	73 Å²	73	20.1 Å²	20.1	39%	0.39	9%	0.089	S	C	.	.	S	Bend	trans	-142.3	84	166.2	-175.1	33.4	0	0	0	109.1	T135 G136 A137 M141	T135-N139 CarbonylContact O-C 3.6Å; T135-N139 PolarHBondContact O-N 2.81Å; G136-N139 WeakPolarHBondContact CA-O 3.5Å; G136-N139 PolarHBondContact O-N 3.27Å; A137-N139 PolarHBondContact O-N 3.48Å; N139-M141 PolarHBondContact O-N 3.45Å
140	P	96.3	Very high	91.7	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.013	12%	0.122	C	C	.	.			trans	-54.8	132.4	-172.9	-27.9	36.1	0	0	0	111.9	G134 G197 C201 P202 Y203	G134-P140 WeakPolarHBondContact O-CA 3.38Å; P140-G197 WeakPolarHBondContact O-CA 3.44Å; P140-G197 PolarHBondContact O-N 3.42Å; P140-C201 HydrophobicContact CB-CB 4.18Å; P140-P202 WeakPolarHBondContact CG-O 3.37Å; P140-Y203 VanDerWaalsContact CD-CZ 3.43Å; P140-Y203 HydrophobicContact CG-CD1 3.99Å; P140-Y203 HydrophobicContact CG-CD2 3.49Å; P140-Y203 VanDerWaalsContact CG-CD2 3.49Å; P140-Y203 HydrophobicContact CG-CE1 4.11Å; P140-Y203 HydrophobicContact CG-CE2 3.62Å; P140-Y203 HydrophobicContact CG-CG 3.65Å
141	M	96.3	Very high	89.2	Confident	32 Å²	32	31.7 Å²	31.7	16%	0.158	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.1	-174.9	59.2	-167	-77.3	0	0	109.9	W94 C133 G134 N139 L194 E195	W94-M141 HydrophobicContact CH2-CG 4.27Å; W94-M141 WeakPolarHBondContact CH2-O 3.19Å; W94-M141 HydrophobicContact CZ2-CE 3.86Å; W94-M141 HydrophobicContact CZ2-CG 3.89Å; C133-M141 VanDerWaalsContact CA-O 3.27Å; C133-M141 WeakPolarHBondContact CA-O 3.4Å; G134-M141 PolarHBondContact N-O 3.36Å; G134-M141 PolarHBondContact O-N 2.95Å; N139-M141 PolarHBondContact O-N 3.45Å; M141-L194 HydrophobicContact CB-CD1 4.16Å; M141-L194 HydrophobicContact CE-CD1 3.5Å; M141-L194 HydrophobicContact CE-CD2 4.09Å; M141-L194 HydrophobicContact CE-CG 4.42Å; M141-E195 WeakPolarHBondContact CA-O 3.48Å
142	C	97	Very high	86.2	Confident	0 Å²	0	40 Å²	40	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	154.9	179.5	-61.2	0	0	0	0	111	Y131 V132 C133 E195 G197	Y131-C142 HydrophobicContact CE1-CB 4.1Å; Y131-C142 HydrophobicContact CE2-CB 4.16Å; Y131-C142 VanDerWaalsContact OH-CB 3.23Å; Y131-C142 WeakPolarHBondContact OH-CB 3.41Å; V132-C142 CarbonylContact O-C 3.42Å; V132-C142 WeakPolarHBondContact O-CA 3.27Å; C133-C142 HydrophobicContact CB-CB 4.04Å; C133-C142 WeakPolarHBondContact CB-SG 3.36Å; C133-C142 WeakPolarHBondContact SG-CB 3.22Å; C133-C142 CovalentContact SG-SG 2.03Å; C133-C142 PolarHBondContact SG-SG 2.87Å; C142-E195 HydrophobicContact CB-CB 4.38Å; C142-E195 PolarHBondContact N-O 3.34Å; C142-E195 PolarHBondContact O-N 3.4Å; C142-G197 VanDerWaalsContact SG-CA 3.51Å
143	T	96.3	Very high	83	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	175.9	-178.2	-168.9	0	0	0	0	110.4	W94 V132 L189 E190	W94-T143 HydrophobicContact CH2-CG2 3.77Å; W94-T143 HydrophobicContact CZ2-CG2 3.51Å; W94-T143 HydrophobicContact CZ3-CG2 4.4Å; V132-T143 PolarHBondContact N-O 2.93Å; V132-T143 PolarHBondContact O-N 3.18Å; T143-L189 HydrophobicContact CG2-CD1 3.88Å; T143-L189 HydrophobicContact CG2-CD2 3.59Å; T143-L189 HydrophobicContact CG2-CG 3.67Å; T143-L189 WeakPolarHBondContact OG1-CD2 3.39Å; T143-E190 PolarHBondContact OG1-O 3.11Å; T143-E190 VanDerWaalsContact OG1-O 3.1Å
144	Y	95.3	Very high	79.6	Confident	22 Å²	22	50.4 Å²	50.4	9%	0.086	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	139.2	175.1	-59.1	-97.4	0	0	0	109.8	W125 L130 Y131 E190 R193 E195	W125-Y144 HydrophobicContact CB-CD1 4.48Å; W125-Y144 AromaticContact CD1-CE1 3.89Å; W125-Y144 HydrophobicContact CD2-CD1 4.43Å; W125-Y144 AromaticContact CD2-CE1 3.7Å; W125-Y144 HydrophobicContact CD2-CE1 3.7Å; W125-Y144 AromaticContact CE2-CE1 3.77Å; W125-Y144 HydrophobicContact CE3-CE1 4.2Å; W125-Y144 HydrophobicContact CG-CD1 4.07Å; W125-Y144 AromaticContact CG-CE1 3.82Å; W125-Y144 HydrophobicContact CG-CE1 3.82Å; W125-Y144 HydrophobicContact CZ2-CE1 4.35Å; W125-Y144 AromaticContact NE1-CE1 3.87Å; L130-Y144 CarbonylContact O-C 3.58Å; L130-Y144 VanDerWaalsContact O-CA 3.29Å; L130-Y144 WeakPolarHBondContact O-CA 3.47Å; Y131-Y144 AromaticContact CD2-CD1 3.99Å; Y131-Y144 HydrophobicContact CD2-CD1 3.99Å; Y131-Y144 AromaticContact CD2-CE1 3.58Å; Y131-Y144 HydrophobicContact CD2-CE1 3.58Å; Y131-Y144 HydrophobicContact CD2-CE2 4.23Å; Y131-Y144 HydrophobicContact CD2-CG 4.49Å; Y131-Y144 AromaticContact CD2-CZ 3.71Å; Y131-Y144 HydrophobicContact CE2-CE1 4.11Å; Y131-Y144 HydrophobicContact CE2-CE2 4.07Å; Y131-Y144 AromaticContact CE2-CZ 3.73Å; Y144-E190 PolarHBondContact O-N 2.91Å; Y144-R193 HydrophobicContact CD2-CB 3.8Å; Y144-R193 HydrophobicContact CE2-CB 4.28Å; Y144-E195 WeakPolarHBondContact CE2-OE1 3.22Å; Y144-E195 PolarHBondContact OH-OE1 3.48Å; Y144-E195 VanDerWaalsContact OH-OE1 3.06Å
145	V	95.4	Very high	76.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.9	172.5	173.3	0	0	0	0	108.3	I92 H129 L130 V132 R147 F187 Y188 L189	I92-V145 HydrophobicContact CD1-CG1 3.52Å; I92-V145 HydrophobicContact CD1-CG2 4.21Å; H129-V145 CarbonylContact C-O 3.54Å; H129-V145 VanDerWaalsContact CA-O 3.28Å; H129-V145 WeakPolarHBondContact CA-O 3.5Å; L130-V145 HydrophobicContact CB-CB 4.24Å; L130-V145 HydrophobicContact CD1-CG1 4.44Å; L130-V145 PolarHBondContact N-O 3.28Å; L130-V145 PolarHBondContact O-N 3.05Å; V132-V145 HydrophobicContact CB-CG2 4.4Å; V132-V145 HydrophobicContact CG2-CB 4.31Å; V132-V145 HydrophobicContact CG2-CG2 3.78Å; V145-R147 PolarHBondContact O-N 2.75Å; V145-F187 HydrophobicContact CG1-CD2 3.89Å; V145-F187 HydrophobicContact CG1-CE2 3.79Å; V145-F187 HydrophobicContact CG1-CZ 4.45Å; V145-Y188 CarbonylContact C-O 3.49Å; V145-Y188 WeakPolarHBondContact CA-O 3.14Å; V145-L189 HydrophobicContact CG2-CB 4.49Å; V145-L189 HydrophobicContact CG2-CD1 4.16Å; V145-L189 HydrophobicContact CG2-CG 4.12Å
146	N	92.3	Very high	73.4	Confident	28 Å²	28	67.8 Å²	67.8	15%	0.15	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	110.5	175	-176.5	-19.3	0	0	0	109.2	T128 G148 F187 Y188	T128-N146 CarbonylContact O-C 3.57Å; T128-N146 WeakPolarHBondContact O-CA 3.47Å; T128-N146 PolarHBondContact O-OD1 2.73Å; N146-G148 PolarHBondContact OD1-N 2.86Å; N146-F187 WeakPolarHBondContact O-CA 3.31Å; N146-F187 PolarHBondContact O-N 3.3Å; N146-Y188 HydrophobicContact CB-CD1 4.17Å; N146-Y188 HydrophobicContact CB-CE1 3.71Å; N146-Y188 HydrophobicContact CB-CE2 4.26Å; N146-Y188 PolarHBondContact N-O 3.2Å; N146-Y188 PolarHBondContact ND2-OH 3.48Å; N146-Y188 PolarHBondContact O-N 3.2Å
147	R	90.1	Very high	70.2	Confident	20 Å²	20	73.7 Å²	73.7	8%	0.075	37%	0.372	C	S	.	.			trans	-96.6	7.5	178.2	62.6	162.4	-177.1	-135.9	19.6	114	D63 Y70 N126 R127 T128 L130 V145 I186 F187	D63-R147 IonicContact OD2-CZ 2.9Å; D63-R147 IonicContact OD2-NE 3.96Å; D63-R147 IonicContact OD2-NH1 3.45Å; D63-R147 PolarHBondContact OD2-NH1 2.79Å; D63-R147 IonicContact OD2-NH2 2.71Å; D63-R147 PolarHBondContact OD2-NH2 2.81Å; Y70-R147 HydrophobicContact CE1-CB 4.45Å; Y70-R147 WeakPolarHBondContact OH-CD 3.22Å; N126-R147 PolarHBondContact O-NH2 3.28Å; R127-R147 PolarHBondContact O-NE 3.39Å; R127-R147 PolarHBondContact O-NH2 2.69Å; T128-R147 VanDerWaalsContact O-CG 3.22Å; T128-R147 WeakPolarHBondContact O-CG 3.06Å; T128-R147 PolarHBondContact O-N 2.85Å; L130-R147 HydrophobicContact CD1-CB 4.4Å; L130-R147 HydrophobicContact CG-CG 4.43Å; V145-R147 PolarHBondContact O-N 2.75Å; R147-I186 VanDerWaalsContact C-CG2 3.46Å; R147-I186 WeakPolarHBondContact O-CG2 3.27Å; R147-F187 HydrophobicContact CB-CD2 4.38Å
148	G	81.4	Confident	67.5	Low	7 Å²	7	82.6 Å²	82.6	7%	0.072	41%	0.413	C	S	.	.			trans	74.5	177.9	179	0	0	0	0	0	114.3	T128 N146	T128-G148 WeakPolarHBondContact CA-O 3.49Å; N146-G148 PolarHBondContact OD1-N 2.86Å
149	R	68.6	Low	64.4	Low	216 Å²	216	88.8 Å²	88.8	82%	0.815	45%	0.452	S	S	*	.	S	Bend	trans	-98.7	-4.4	-175.1	-79.7	-175.8	-177.5	-173.2	3	115.6	T128 A151	T128-R149 HydrophobicContact CG2-CB 4.28Å; T128-R149 HydrophobicContact CG2-CG 3.2Å; R149-A151 PolarHBondContact O-N 3.1Å
150	R	57.3	Low	61.3	Low	210 Å²	210	93.6 Å²	93.6	79%	0.792	47%	0.472	S	S	*	.			trans	-77.3	85.6	-165	-83.4	-169.7	-178.3	179.2	2.1	113.2
151	A	41	Very low	58.3	Low	54 Å²	54	98.5 Å²	98.5	45%	0.446	51%	0.512	S	S	.	.			trans	-113.4	82.1	142.2	0	0	0	0	0	107.5	R149	R149-A151 PolarHBondContact O-N 3.1Å
152	Q	33.7	Very low	55.2	Low	174 Å²	174	103.3 Å²	103.3	81%	0.813	54%	0.543	S	S	*	.			trans	-165.6	108.2	161.9	-109	172.4	29.1	0	0	108.9	T154	Q152-T154 PolarHBondContact O-N 2.77Å
153	A	31.2	Very low	52.1	Low	98 Å²	98	115.2 Å²	115.2	81%	0.81	59%	0.588	S	S	*	*			trans	-62.3	118.6	163.6	0	0	0	0	0	108.6	P155	A153-P155 WeakPolarHBondContact O-CD 3.4Å
154	T	26.5	Very low	49	Very low	122 Å²	122	119 Å²	119	75%	0.748	63%	0.627	S	S	*	*			trans	-97	108.3	153	44	0	0	0	0	107	Q152 W156	Q152-T154 PolarHBondContact O-N 2.77Å; T154-W156 PolarHBondContact O-N 3Å
155	P	34.2	Very low	46.1	Very low	108 Å²	108	130.6 Å²	130.6	70%	0.701	67%	0.671	S	S	*	*			trans	-58.7	136.3	162.8	-15.1	28.6	0	0	0	108.1	A153 T157	A153-P155 WeakPolarHBondContact O-CD 3.4Å; P155-T157 PolarHBondContact O-N 3.41Å
156	W	27.2	Very low	43.1	Very low	256 Å²	256	134.3 Å²	134.3	97%	0.97	71%	0.709	S	S	*	*			trans	-53.2	99.9	169.6	-68.6	84.6	0	0	0	110	T154 Q158	T154-W156 PolarHBondContact O-N 3Å; W156-Q158 PolarHBondContact O-N 2.74Å
157	T	29.1	Very low	40.3	Very low	125 Å²	125	138.6 Å²	138.6	77%	0.767	74%	0.741	S	S	*	*			trans	-77.8	101.3	158.9	38.2	0	0	0	0	107.8	P155 T159	P155-T157 PolarHBondContact O-N 3.41Å; T157-T159 PolarHBondContact O-N 3.41Å; T157-T159 VanDerWaalsContact O-N 3.12Å
158	Q	38.8	Very low	37.6	Very low	187 Å²	187	149 Å²	149	87%	0.874	78%	0.78	S	S	*	*			trans	-48.8	103.9	159.2	-166.8	175.8	29.3	0	0	109.5	W156	W156-Q158 PolarHBondContact O-N 2.74Å
159	T	29.5	Very low	35.2	Very low	131 Å²	131	152.8 Å²	152.8	80%	0.804	81%	0.811	S	S	*	*			trans	-117.9	100.8	163.6	33.2	0	0	0	0	110.2	T157	T157-T159 PolarHBondContact O-N 3.41Å; T157-T159 VanDerWaalsContact O-N 3.12Å
160	Q	30.3	Very low	33.5	Very low	174 Å²	174	148.6 Å²	148.6	81%	0.813	81%	0.81	S	S	*	*			trans	-10.3	131.8	153.9	-70.2	168.6	-31.6	0	0	116.5	V162	Q160-V162 PolarHBondContact O-N 3.33Å
161	A	32.6	Very low	32.3	Very low	104 Å²	104	146.3 Å²	146.3	86%	0.86	81%	0.813	S	S	*	*			trans	-56.8	125.7	158.5	0	0	0	0	0	110.8
162	V	30.3	Very low	32	Very low	134 Å²	134	147.6 Å²	147.6	81%	0.812	83%	0.832	S	S	*	*			trans	-123.5	115.6	157.5	178.2	0	0	0	0	107.7	Q160	Q160-V162 PolarHBondContact O-N 3.33Å
163	R	32.8	Very low	31.9	Very low	250 Å²	250	143.6 Å²	143.6	94%	0.943	83%	0.829	S	S	*	*			trans	-70.5	133.3	167.3	-77.1	177.1	169.2	-178.2	-2.9	108.9
164	G	31.4	Very low	32.2	Very low	80 Å²	80	147.5 Å²	147.5	83%	0.825	84%	0.835	S	S	*	*			trans	-156.2	119.6	168	0	0	0	0	0	111.4
165	R	34.2	Very low	32.3	Very low	265 Å²	265	152.8 Å²	152.8	100%	1	84%	0.841	S	S	*	*			trans	-83.2	145.1	-178.4	-121	177.3	-177.4	178	-0.1	110.7
166	G	32.3	Very low	32.2	Very low	77 Å²	77	153 Å²	153	79%	0.794	84%	0.843	S	S	*	*			trans	172.5	134.6	163.2	0	0	0	0	0	113.2
167	S	32.6	Very low	32.3	Very low	118 Å²	118	146.6 Å²	146.6	83%	0.825	83%	0.832	S	S	*	*			trans	-108.8	165.9	-158.9	-56.5	0	0	0	0	115.5
168	R	34.4	Very low	32.6	Very low	238 Å²	238	146.5 Å²	146.5	90%	0.898	83%	0.833	S	S	*	*			trans	82	114.1	155.2	-73.2	176.8	-177.3	178.5	0.9	117.8
169	A	31.5	Very low	32.5	Very low	88 Å²	88	143.6 Å²	143.6	73%	0.727	83%	0.829	S	S	*	*				86.3	130.4	96.7	0	0	0	0	0	110.3
170	T	32.6	Very low	32.6	Very low	128 Å²	128	141.2 Å²	141.2	79%	0.785	82%	0.822	S	S	*	*			cis	-164.6	174.7	23.4	16.6	0	0	0	0	108.7
171	D	31.4	Very low	32.9	Very low	161 Å²	161	138.7 Å²	138.7	86%	0.861	82%	0.821	S	S	*	*			trans	96.6	122.8	158.1	-72.3	-15.2	0	0	0	120.6
172	G	34.8	Very low	33.1	Very low	81 Å²	81	144.4 Å²	144.4	84%	0.835	82%	0.821	S	S	*	*			trans	-85.4	146.6	-170	0	0	0	0	0	113.3
173	A	32.6	Very low	33.6	Very low	91 Å²	91	145.7 Å²	145.7	75%	0.752	82%	0.817	S	S	*	*			trans	-142.3	132.2	149.3	0	0	0	0	0	106	R175	A173-R175 PolarHBondContact O-N 2.62Å
174	L	36.2	Very low	34.3	Very low	180 Å²	180	140.3 Å²	140.3	94%	0.942	81%	0.807	S	S	*	*			trans	-50.1	108.9	175.1	-83.2	88	0	0	0	109.4
175	R	29.3	Very low	35.5	Very low	232 Å²	232	145.3 Å²	145.3	88%	0.875	80%	0.803	S	S	*	*			trans	-76.8	129.1	163.2	-96.8	178.9	162.6	-177	-5	107.4	A173 T177	A173-R175 PolarHBondContact O-N 2.62Å; R175-T177 PolarHBondContact O-N 2.66Å
176	P	33.1	Very low	37.5	Very low	114 Å²	114	136.4 Å²	136.4	74%	0.74	77%	0.774	S	S	*	*			trans	-55.2	135.7	161.5	25	-29.9	0	0	0	107
177	T	29.3	Very low	40.3	Very low	120 Å²	120	133.5 Å²	133.5	74%	0.736	74%	0.74	S	S	*	*			trans	-39.6	126.5	167.5	24	0	0	0	0	108.5	R175 T179	R175-T177 PolarHBondContact O-N 2.66Å; T177-T179 PolarHBondContact O-N 3.24Å
178	P	35.6	Very low	43	Very low	123 Å²	123	132.6 Å²	132.6	80%	0.799	72%	0.719	S	S	*	*			trans	-65.3	97.3	165.6	12.9	-3.5	0	0	0	104.7	A180	P178-A180 PolarHBondContact O-N 3.39Å
179	T	35.5	Very low	45.7	Very low	127 Å²	127	122.5 Å²	122.5	78%	0.779	68%	0.683	S	S	*	*			trans	-45.6	118.5	149.9	30.2	0	0	0	0	104.5	T177	T177-T179 PolarHBondContact O-N 3.24Å
180	A	32.9	Very low	48.5	Very low	81 Å²	81	119.9 Å²	119.9	67%	0.669	66%	0.655	S	S	*	*			trans	-40.8	132.6	175.2	0	0	0	0	0	107.4	P178 R182	P178-A180 PolarHBondContact O-N 3.39Å; A180-R182 PolarHBondContact O-N 3.06Å
181	P	36	Very low	50.7	Low	121 Å²	121	118.3 Å²	118.3	79%	0.786	65%	0.648	S	S	*	*			trans	-52.2	120.7	176.1	23	-29.9	0	0	0	105	Q183	P181-Q183 VanDerWaalsContact C-N 3.26Å; P181-Q183 PolarHBondContact O-N 3.07Å
182	R	37.4	Very low	53.2	Low	224 Å²	224	120 Å²	120	85%	0.845	65%	0.65	S	S	*	*			trans	-46.9	110.3	163.8	-90.5	179	164.2	176.4	-5.3	103.1	A180 D184	A180-R182 PolarHBondContact O-N 3.06Å; R182-D184 PolarHBondContact O-N 3.15Å
183	Q	39.2	Very low	55.8	Low	160 Å²	160	122.4 Å²	122.4	75%	0.748	63%	0.634	S	S	*	*			trans	-57.1	101.2	161.5	-124.8	163.2	9.6	0	0	101.2	P181 Y185	P181-Q183 VanDerWaalsContact C-N 3.26Å; P181-Q183 PolarHBondContact O-N 3.07Å; Q183-Y185 WeakPolarHBondContact O-CD2 3.43Å; Q183-Y185 PolarHBondContact O-N 3.33Å
184	D	48.8	Very low	58.7	Low	137 Å²	137	122.6 Å²	122.6	73%	0.733	62%	0.622	S	S	*	*			trans	-57.4	98.3	177.7	-76.1	-29.5	0	0	0	104	R182 I186	R182-D184 PolarHBondContact O-N 3.15Å; D184-I186 PolarHBondContact O-N 2.75Å
185	Y	55.6	Low	61.5	Low	185 Å²	185	116.9 Å²	116.9	73%	0.725	59%	0.59	S	S	*	*			trans	-58.8	114	176.6	-78.5	-85.8	0	0	0	104.1	Q183 Y188	Q183-Y185 WeakPolarHBondContact O-CD2 3.43Å; Q183-Y185 PolarHBondContact O-N 3.33Å; Y185-Y188 WeakPolarHBondContact O-CD1 3.41Å; Y185-Y188 VanDerWaalsContact O-CE1 3.23Å; Y185-Y188 WeakPolarHBondContact O-CE1 3.46Å
186	I	77.6	Confident	64.6	Low	79 Å²	79	109.4 Å²	109.4	41%	0.405	57%	0.574	S	S	.	*	S	Bend	trans	-83.7	140.4	175.7	-68.3	170.6	0	0	0	106	R147 D184	R147-I186 VanDerWaalsContact C-CG2 3.46Å; R147-I186 WeakPolarHBondContact O-CG2 3.27Å; D184-I186 PolarHBondContact O-N 2.75Å
187	F	89.1	Confident	67.5	Low	16 Å²	16	104 Å²	104	7%	0.07	54%	0.538	C	S	.	.	S	Bend	trans	76.6	69.2	-177.9	-155.7	-109.4	0	0	0	114.1	Y70 V77 L90 I92 L130 V145 N146 R147	Y70-F187 AromaticContact CD1-CE2 3.65Å; Y70-F187 HydrophobicContact CD1-CE2 3.65Å; Y70-F187 HydrophobicContact CD1-CZ 4.17Å; Y70-F187 HydrophobicContact CE1-CD2 4.09Å; Y70-F187 AromaticContact CE1-CE2 3.56Å; Y70-F187 HydrophobicContact CE1-CE2 3.56Å; Y70-F187 HydrophobicContact CE1-CZ 4.44Å; V77-F187 HydrophobicContact CG1-CZ 4.1Å; L90-F187 HydrophobicContact CB-CB 4.21Å; L90-F187 HydrophobicContact CB-CD1 3.46Å; L90-F187 VanDerWaalsContact CB-CD1 3.46Å; L90-F187 HydrophobicContact CB-CE1 4.08Å; L90-F187 HydrophobicContact CB-CG 4.06Å; L90-F187 HydrophobicContact CD1-CB 3.71Å; L90-F187 HydrophobicContact CD1-CD1 4.45Å; L90-F187 HydrophobicContact CD1-CG 4.2Å; L90-F187 WeakPolarHBondContact O-CE1 3.41Å; I92-F187 HydrophobicContact CD1-CD1 3.67Å; I92-F187 HydrophobicContact CD1-CD2 4.44Å; I92-F187 HydrophobicContact CD1-CE1 3.62Å; I92-F187 HydrophobicContact CD1-CE2 4.36Å; I92-F187 HydrophobicContact CD1-CG 4.12Å; I92-F187 HydrophobicContact CD1-CZ 3.98Å; I92-F187 HydrophobicContact CG1-CD1 3.74Å; I92-F187 HydrophobicContact CG1-CE1 3.7Å; I92-F187 HydrophobicContact CG1-CZ 4.49Å; L130-F187 HydrophobicContact CD1-CE2 4.26Å; V145-F187 HydrophobicContact CG1-CD2 3.89Å; V145-F187 HydrophobicContact CG1-CE2 3.79Å; V145-F187 HydrophobicContact CG1-CZ 4.45Å; N146-F187 WeakPolarHBondContact O-CA 3.31Å; N146-F187 PolarHBondContact O-N 3.3Å; R147-F187 HydrophobicContact CB-CD2 4.38Å
188	Y	90.1	Very high	70.6	Confident	99 Å²	99	103.8 Å²	103.8	39%	0.388	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.1	171.5	66.7	-82.4	0	0	0	111.2	V145 N146 Y185 E190	V145-Y188 CarbonylContact C-O 3.49Å; V145-Y188 WeakPolarHBondContact CA-O 3.14Å; N146-Y188 HydrophobicContact CB-CD1 4.17Å; N146-Y188 HydrophobicContact CB-CE1 3.71Å; N146-Y188 HydrophobicContact CB-CE2 4.26Å; N146-Y188 PolarHBondContact N-O 3.2Å; N146-Y188 PolarHBondContact ND2-OH 3.48Å; N146-Y188 PolarHBondContact O-N 3.2Å; Y185-Y188 WeakPolarHBondContact O-CD1 3.41Å; Y185-Y188 VanDerWaalsContact O-CE1 3.23Å; Y185-Y188 WeakPolarHBondContact O-CE1 3.46Å; Y188-E190 HydrophobicContact CE2-CG 4.1Å
189	L	91.4	Very high	73.3	Confident	26 Å²	26	98.1 Å²	98.1	14%	0.136	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	144.4	179.6	-153.2	138.9	0	0	0	109.7	I92 W94 T143 V145 P191	I92-L189 HydrophobicContact CG2-CB 3.97Å; I92-L189 HydrophobicContact CG2-CD1 3.69Å; I92-L189 HydrophobicContact CG2-CG 4.49Å; W94-L189 HydrophobicContact CB-CD1 3.86Å; W94-L189 HydrophobicContact CD2-CD1 3.72Å; W94-L189 HydrophobicContact CE3-CD1 4.34Å; W94-L189 HydrophobicContact CG-CD1 3.49Å; W94-L189 VanDerWaalsContact CG-CD1 3.49Å; T143-L189 HydrophobicContact CG2-CD1 3.88Å; T143-L189 HydrophobicContact CG2-CD2 3.59Å; T143-L189 HydrophobicContact CG2-CG 3.67Å; T143-L189 WeakPolarHBondContact OG1-CD2 3.39Å; V145-L189 HydrophobicContact CG2-CB 4.49Å; V145-L189 HydrophobicContact CG2-CD1 4.16Å; V145-L189 HydrophobicContact CG2-CG 4.12Å; L189-P191 WeakPolarHBondContact O-CD 3.47Å
190	E	89.9	Confident	76.2	Confident	32 Å²	32	93.1 Å²	93.1	15%	0.15	46%	0.459	C	S	.	.			trans	-100.6	84.3	177.5	-64	-168.8	151	0	0	110.5	H129 T143 Y144 Y188 E192 R193	H129-E190 IonicContact CD2-OE1 2.7Å; H129-E190 IonicContact CD2-OE2 2.79Å; H129-E190 IonicContact NE2-OE1 3.64Å; H129-E190 PolarHBondContact NE2-OE1 2.98Å; H129-E190 IonicContact NE2-OE2 3.7Å; T143-E190 PolarHBondContact OG1-O 3.11Å; T143-E190 VanDerWaalsContact OG1-O 3.1Å; Y144-E190 PolarHBondContact O-N 2.91Å; Y188-E190 HydrophobicContact CE2-CG 4.1Å; E190-E192 PolarHBondContact O-N 3.2Å; E190-R193 HydrophobicContact CB-CB 4.48Å; E190-R193 PolarHBondContact O-N 2.84Å; E190-R193 IonicContact OE1-NH1 2.76Å; E190-R193 WeakPolarHBondContact OE2-CD 3.2Å; E190-R193 IonicContact OE2-CZ 3.17Å; E190-R193 IonicContact OE2-NE 2.69Å; E190-R193 IonicContact OE2-NH1 2.89Å; E190-R193 PolarHBondContact OE2-NH1 3.14Å
191	P	78.8	Confident	79.2	Confident	96 Å²	96	89.4 Å²	89.4	62%	0.623	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-64.8	-25.2	-172.7	26.7	-36.5	0	0	0	113.3	L189 R193 L194	L189-P191 WeakPolarHBondContact O-CD 3.47Å; P191-R193 PolarHBondContact O-N 3.24Å; P191-L194 PolarHBondContact O-N 3.36Å
192	E	84.6	Confident	82	Confident	196 Å²	196	83.6 Å²	83.6	92%	0.916	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-66.8	-15.7	176.2	-61.6	-178.7	-176.8	0	0	112.7	E190	E190-E192 PolarHBondContact O-N 3.2Å
193	R	89.4	Confident	84.7	Confident	131 Å²	131	74.5 Å²	74.5	49%	0.494	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-107.3	36.1	177.8	-63.5	-172.5	173.5	161.9	-9.3	112.4	Y144 E190 P191 E195	Y144-R193 HydrophobicContact CD2-CB 3.8Å; Y144-R193 HydrophobicContact CE2-CB 4.28Å; E190-R193 HydrophobicContact CB-CB 4.48Å; E190-R193 PolarHBondContact O-N 2.84Å; E190-R193 IonicContact OE1-NH1 2.76Å; E190-R193 WeakPolarHBondContact OE2-CD 3.2Å; E190-R193 IonicContact OE2-CZ 3.17Å; E190-R193 IonicContact OE2-NE 2.69Å; E190-R193 IonicContact OE2-NH1 2.89Å; E190-R193 PolarHBondContact OE2-NH1 3.14Å; P191-R193 PolarHBondContact O-N 3.24Å; R193-E195 PolarHBondContact O-N 2.86Å
194	L	92.8	Very high	87.3	Confident	95 Å²	95	68.3 Å²	68.3	50%	0.497	33%	0.328	S	S	.	.			trans	-71.4	124.6	175.7	-167.5	72.1	0	0	0	110.5	W94 M141 P191	W94-L194 HydrophobicContact CZ2-CD1 4.33Å; M141-L194 HydrophobicContact CB-CD1 4.16Å; M141-L194 HydrophobicContact CE-CD1 3.5Å; M141-L194 HydrophobicContact CE-CD2 4.09Å; M141-L194 HydrophobicContact CE-CG 4.42Å; P191-L194 PolarHBondContact O-N 3.36Å
195	E	94.6	Very high	89.4	Confident	60 Å²	60	62.2 Å²	62.2	28%	0.28	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	156.2	179.1	-65.2	175.9	-170.4	0	0	110.9	Y131 M141 C142 Y144 R193 G197 K200	Y131-E195 PolarHBondContact OH-OE2 3.47Å; M141-E195 WeakPolarHBondContact CA-O 3.48Å; C142-E195 HydrophobicContact CB-CB 4.38Å; C142-E195 PolarHBondContact N-O 3.34Å; C142-E195 PolarHBondContact O-N 3.4Å; Y144-E195 WeakPolarHBondContact CE2-OE1 3.22Å; Y144-E195 PolarHBondContact OH-OE1 3.48Å; Y144-E195 VanDerWaalsContact OH-OE1 3.06Å; R193-E195 PolarHBondContact O-N 2.86Å; E195-G197 PolarHBondContact O-N 3.31Å; E195-K200 IonicContact OE2-NZ 3.68Å; E195-K200 PolarHBondContact OE2-NZ 3.35Å
196	S	94.6	Very high	91.1	Very high	75 Å²	75	60 Å²	60	52%	0.524	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	134.3	166.9	-175.8	0	0	0	0	110.6	K198 K200	S196-K198 PolarHBondContact OG-N 2.82Å; S196-K200 PolarHBondContact O-NZ 2.86Å; S196-K200 VanDerWaalsContact O-NZ 3.12Å
197	G	94.9	Very high	91.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.281	C	S	.	.			trans	-90.5	4.3	174	0	0	0	0	0	114.3	P140 C142 E195 G199 K200 C201	P140-G197 WeakPolarHBondContact O-CA 3.44Å; P140-G197 PolarHBondContact O-N 3.42Å; C142-G197 VanDerWaalsContact SG-CA 3.51Å; E195-G197 PolarHBondContact O-N 3.31Å; G197-G199 PolarHBondContact O-N 3.43Å; G197-K200 WeakPolarHBondContact O-CA 3.42Å; G197-K200 WeakPolarHBondContact O-CB 3.42Å; G197-K200 PolarHBondContact O-N 2.87Å; G197-C201 PolarHBondContact O-N 3.37Å
198	K	94.2	Very high	92	Very high	117 Å²	117	60.4 Å²	60.4	51%	0.509	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	125.7	177.7	-172.5	176.6	-178.1	177.2	0	110.2	S196 K200 I224	S196-K198 PolarHBondContact OG-N 2.82Å; K198-K200 VanDerWaalsContact C-N 3.25Å; K198-K200 PolarHBondContact O-N 2.8Å; K198-I224 HydrophobicContact CG-CB 4.33Å
199	G	92.9	Very high	92.3	Very high	3 Å²	3	57.3 Å²	57.3	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	1.5	-174.5	0	0	0	0	0	115	G197	G197-G199 PolarHBondContact O-N 3.43Å
200	K	95.6	Very high	92.5	Very high	23 Å²	23	56.3 Å²	56.3	10%	0.1	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-30.9	-179.3	-52.5	178.8	-176.3	162.6	0	112.6	Y131 E195 S196 G197 K198 L218 T236 L237	Y131-K200 HydrophobicContact CE1-CD 4.27Å; Y131-K200 VanDerWaalsContact OH-CD 3.27Å; Y131-K200 WeakPolarHBondContact OH-CD 3.47Å; Y131-K200 WeakPolarHBondContact OH-CE 3.44Å; Y131-K200 PolarHBondContact OH-NZ 2.82Å; E195-K200 IonicContact OE2-NZ 3.68Å; E195-K200 PolarHBondContact OE2-NZ 3.35Å; S196-K200 PolarHBondContact O-NZ 2.86Å; S196-K200 VanDerWaalsContact O-NZ 3.12Å; G197-K200 WeakPolarHBondContact O-CA 3.42Å; G197-K200 WeakPolarHBondContact O-CB 3.42Å; G197-K200 PolarHBondContact O-N 2.87Å; K198-K200 VanDerWaalsContact C-N 3.25Å; K198-K200 PolarHBondContact O-N 2.8Å; K200-L218 HydrophobicContact CB-CD2 3.72Å; K200-L218 HydrophobicContact CD-CD2 4.33Å; K200-L218 HydrophobicContact CG-CD2 3.92Å; K200-T236 HydrophobicContact CG-CG2 4.47Å; K200-L237 HydrophobicContact CD-CD2 4.41Å
201	C	95.1	Very high	92.8	Very high	2 Å²	2	56 Å²	56	1%	0.014	28%	0.282	C	S	.	.	S	Bend	trans	-148.8	146.9	-171.3	-179.6	0	0	0	0	109.2	C133 G134 P140 G197	C133-C201 HydrophobicContact CB-CB 3.6Å; G134-C201 VanDerWaalsContact CA-SG 3.55Å; G134-C201 PolarHBondContact O-SG 2.94Å; P140-C201 HydrophobicContact CB-CB 4.18Å; G197-C201 PolarHBondContact O-N 3.37Å
202	P	95.6	Very high	93.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.257	C	S	.	.			trans	-79.2	158.6	-176.2	34.7	-32.9	0	0	0	110.9	R120 T135 P140 L207 T209	R120-P202 HydrophobicContact CB-CG 4.41Å; R120-P202 HydrophobicContact CG-CG 4.01Å; T135-P202 WeakPolarHBondContact CG2-O 3.44Å; P140-P202 WeakPolarHBondContact CG-O 3.37Å; P202-L207 HydrophobicContact CB-CB 4.28Å; P202-T209 HydrophobicContact CB-CG2 3.97Å; P202-T209 HydrophobicContact CG-CG2 3.58Å
203	Y	94.8	Very high	94.2	Very high	33 Å²	33	44.2 Å²	44.2	13%	0.129	22%	0.222	C	C	.	.	S	Bend	trans	-76	-49.5	171.7	-76.8	-106.4	0	0	0	111.4	Y138 P140 I224 F226	Y138-Y203 VanDerWaalsContact O-CD1 3.24Å; Y138-Y203 WeakPolarHBondContact O-CD1 3.39Å; P140-Y203 VanDerWaalsContact CD-CZ 3.43Å; P140-Y203 HydrophobicContact CG-CD1 3.99Å; P140-Y203 HydrophobicContact CG-CD2 3.49Å; P140-Y203 VanDerWaalsContact CG-CD2 3.49Å; P140-Y203 HydrophobicContact CG-CE1 4.11Å; P140-Y203 HydrophobicContact CG-CE2 3.62Å; P140-Y203 HydrophobicContact CG-CG 3.65Å; Y203-I224 VanDerWaalsContact CE2-C 3.47Å; Y203-I224 WeakPolarHBondContact CE2-O 3.45Å; Y203-F226 HydrophobicContact CD1-CB 4.28Å; Y203-F226 HydrophobicContact CD1-CD2 4.44Å
204	D	93.4	Very high	94.5	Very high	30 Å²	30	39 Å²	39	16%	0.16	20%	0.203	C	C	.	.	S	Bend	trans	-85.6	125.4	-179.8	-172.4	-33.2	0	0	0	110.2	Y138 K206 L207	Y138-D204 HydrophobicContact CE1-CB 3.74Å; D204-K206 PolarHBondContact O-N 2.84Å; D204-K206 VanDerWaalsContact OD1-CB 3.28Å; D204-K206 WeakPolarHBondContact OD1-CB 3.45Å; D204-K206 WeakPolarHBondContact OD1-CG 3.48Å; D204-K206 PolarHBondContact OD1-N 3.11Å; D204-L207 HydrophobicContact CB-CD1 3.85Å; D204-L207 HydrophobicContact CB-CG 3.94Å; D204-L207 PolarHBondContact O-N 2.92Å
205	P	92.4	Very high	94.4	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.058	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.8	179.3	28.1	-36.2	0	0	0	114.1	F118 R120 T135 L207	F118-P205 HydrophobicContact CB-CB 3.83Å; F118-P205 HydrophobicContact CD1-CB 3.9Å; F118-P205 HydrophobicContact CD2-CB 3.5Å; F118-P205 HydrophobicContact CD2-CG 3.86Å; F118-P205 HydrophobicContact CE1-CB 4.29Å; F118-P205 HydrophobicContact CE2-CB 3.95Å; F118-P205 HydrophobicContact CE2-CG 3.87Å; F118-P205 HydrophobicContact CG-CB 3.46Å; F118-P205 VanDerWaalsContact CG-CB 3.46Å; F118-P205 HydrophobicContact CG-CG 4.3Å; F118-P205 HydrophobicContact CZ-CB 4.3Å; F118-P205 HydrophobicContact CZ-CG 4.31Å; R120-P205 PolarHBondContact NE-O 2.85Å; R120-P205 PolarHBondContact NH2-O 2.84Å; T135-P205 HydrophobicContact CG2-CB 4.15Å; P205-L207 VanDerWaalsContact C-N 3.33Å
206	K	91.4	Very high	94.3	Very high	137 Å²	137	43.2 Å²	43.2	60%	0.596	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-16.8	179.7	-61.3	171.7	-173.7	165.7	0	112.9	E114 D204	E114-K206 WeakPolarHBondContact OE1-CE 3.16Å; E114-K206 IonicContact OE1-NZ 2.67Å; E114-K206 PolarHBondContact OE1-NZ 3.35Å; D204-K206 PolarHBondContact O-N 2.84Å; D204-K206 VanDerWaalsContact OD1-CB 3.28Å; D204-K206 WeakPolarHBondContact OD1-CB 3.45Å; D204-K206 WeakPolarHBondContact OD1-CG 3.48Å; D204-K206 PolarHBondContact OD1-N 3.11Å
207	L	92.8	Very high	94.3	Very high	42 Å²	42	40.9 Å²	40.9	22%	0.22	21%	0.205	C	C	.	.	S	Bend	trans	-78.5	130.2	-178.7	-63.6	175.5	0	0	0	110.8	P202 D204 P205 Y223	P202-L207 HydrophobicContact CB-CB 4.28Å; D204-L207 HydrophobicContact CB-CD1 3.85Å; D204-L207 HydrophobicContact CB-CG 3.94Å; D204-L207 PolarHBondContact O-N 2.92Å; P205-L207 VanDerWaalsContact C-N 3.33Å; L207-Y223 HydrophobicContact CD1-CD2 3.9Å; L207-Y223 HydrophobicContact CD1-CG 3.84Å; L207-Y223 HydrophobicContact CD2-CD2 4.43Å; L207-Y223 HydrophobicContact CD2-CE2 4.4Å
208	D	93.2	Very high	94.4	Very high	62 Å²	62	40.9 Å²	40.9	33%	0.332	21%	0.205	S	C	.	.			trans	-75.6	149.7	175.2	-57.6	-49	0	0	0	110.8	S257 F258 R280	D208-S257 PolarHBondContact OD2-OG 2.66Å; D208-F258 WeakPolarHBondContact CB-O 3.01Å; D208-R280 IonicContact OD2-NH2 3.75Å
209	T	95	Very high	94.6	Very high	34 Å²	34	35.3 Å²	35.3	21%	0.209	18%	0.181	C	C	.	.			trans	-143.2	145.8	-176.3	58.7	0	0	0	0	111	P202 V222	P202-T209 HydrophobicContact CB-CG2 3.97Å; P202-T209 HydrophobicContact CG-CG2 3.58Å; T209-V222 HydrophobicContact CG2-CB 4.42Å; T209-V222 HydrophobicContact CG2-CG1 3.78Å
210	A	96.8	Very high	94.8	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.041	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.3	171	0	0	0	0	0	109.8	A220 G221 F258 A261	A210-A220 CarbonylContact O-C 3.51Å; A210-A220 WeakPolarHBondContact O-CA 3.41Å; A210-G221 PolarHBondContact N-O 3.11Å; A210-G221 PolarHBondContact O-N 2.96Å; A210-F258 HydrophobicContact CB-CB 3.85Å; A210-A261 HydrophobicContact CB-CB 4.11Å
211	S	96.5	Very high	95	Very high	27 Å²	27	34.1 Å²	34.1	19%	0.189	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	151.3	-179.3	68.7	0	0	0	0	113.1	L121 Q123 Y219	L121-S211 VanDerWaalsContact CD1-CB 3.42Å; L121-S211 WeakPolarHBondContact CD1-OG 3Å; Q123-S211 PolarHBondContact NE2-O 2.04Å; Q123-S211 PolarHBondContact NE2-OG 3.41Å; S211-Y219 CarbonylContact C-O 3.57Å; S211-Y219 WeakPolarHBondContact CA-O 3.42Å
212	A	96.3	Very high	95	Very high	13 Å²	13	34 Å²	34	11%	0.107	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	131.6	170.3	0	0	0	0	0	109.4	I214 Y219 A261 L275	A212-I214 HydrophobicContact CB-CD1 4.07Å; A212-I214 HydrophobicContact CB-CG1 4.26Å; A212-Y219 PolarHBondContact N-O 2.86Å; A212-Y219 PolarHBondContact O-N 3.48Å; A212-A261 HydrophobicContact CB-CB 4.43Å; A212-L275 HydrophobicContact CB-CD1 4.13Å
213	L	96	Very high	95	Very high	31 Å²	31	34.5 Å²	34.5	16%	0.162	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.2	173.7	-177.4	70.4	0	0	0	108.8	Q123 P124 W125 L218 L237	Q123-L213 HydrophobicContact CB-CB 3.82Å; Q123-L213 HydrophobicContact CB-CD2 3.84Å; Q123-L213 HydrophobicContact CB-CG 4.48Å; Q123-L213 HydrophobicContact CG-CB 4.02Å; P124-L213 WeakPolarHBondContact O-CD2 3.4Å; W125-L213 HydrophobicContact CE3-CD1 4.32Å; W125-L213 HydrophobicContact CE3-CD2 3.95Å; W125-L213 HydrophobicContact CZ3-CD1 4.24Å; L213-L218 HydrophobicContact CB-CD1 4.31Å; L213-L218 HydrophobicContact CD1-CB 4.04Å; L213-L218 HydrophobicContact CD1-CD1 4.38Å; L213-L237 HydrophobicContact CD1-CD1 4.2Å
214	I	95	Very high	94.9	Very high	21 Å²	21	33.7 Å²	33.7	11%	0.108	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.3	-173.1	-56.9	165.1	0	0	0	107.6	A212 E216 E217 Y219 L263 L275 L301	A212-I214 HydrophobicContact CB-CD1 4.07Å; A212-I214 HydrophobicContact CB-CG1 4.26Å; I214-E216 VanDerWaalsContact C-N 3.3Å; I214-E216 PolarHBondContact O-N 3.38Å; I214-E217 PolarHBondContact N-O 2.78Å; I214-E217 WeakPolarHBondContact O-CB 3.49Å; I214-E217 PolarHBondContact O-N 3.48Å; I214-E217 VanDerWaalsContact O-O 3.11Å; I214-Y219 HydrophobicContact CB-CD2 4.38Å; I214-Y219 HydrophobicContact CB-CE2 4.17Å; I214-Y219 HydrophobicContact CD1-CD2 4.31Å; I214-L263 HydrophobicContact CD1-CB 3.95Å; I214-L263 HydrophobicContact CD1-CD1 4.32Å; I214-L263 HydrophobicContact CD1-CD2 4.37Å; I214-L263 HydrophobicContact CD1-CG 4.45Å; I214-L263 HydrophobicContact CG2-CD2 4.3Å; I214-L275 HydrophobicContact CD1-CD1 3.91Å; I214-L275 HydrophobicContact CD1-CD2 4.28Å; I214-L301 HydrophobicContact CD1-CD1 4.1Å; I214-L301 HydrophobicContact CG2-CD1 4.18Å; I214-L301 HydrophobicContact CG2-CD2 4Å
215	N	91.7	Very high	94.8	Very high	125 Å²	125	33.8 Å²	33.8	67%	0.668	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	43.7	178.1	-56.9	-29.4	0	0	0	114.1	E217	N215-E217 PolarHBondContact O-N 3.43Å; N215-E217 VanDerWaalsContact O-N 3.16Å
216	E	91.9	Very high	94.7	Very high	118 Å²	118	35.9 Å²	35.9	55%	0.551	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	8.6	-177	-53.6	-177.8	153	0	0	115	W125 I214 L237 G238	W125-E216 HydrophobicContact CH2-CB 3.73Å; W125-E216 HydrophobicContact CH2-CG 4.16Å; W125-E216 HydrophobicContact CZ2-CB 4.35Å; W125-E216 HydrophobicContact CZ2-CG 4.31Å; W125-E216 HydrophobicContact CZ3-CB 4.1Å; I214-E216 VanDerWaalsContact C-N 3.3Å; I214-E216 PolarHBondContact O-N 3.38Å; E216-L237 WeakPolarHBondContact O-CB 3.03Å; E216-G238 PolarHBondContact O-N 3.02Å
217	E	95.2	Very high	94.6	Very high	26 Å²	26	35.6 Å²	35.6	12%	0.121	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.7	174.3	-63	-178.8	148.7	0	0	110	I214 N215 Y219 R235	I214-E217 PolarHBondContact N-O 2.78Å; I214-E217 WeakPolarHBondContact O-CB 3.49Å; I214-E217 PolarHBondContact O-N 3.48Å; I214-E217 VanDerWaalsContact O-O 3.11Å; N215-E217 PolarHBondContact O-N 3.43Å; N215-E217 VanDerWaalsContact O-N 3.16Å; E217-Y219 HydrophobicContact CB-CD2 4.48Å; E217-Y219 HydrophobicContact CB-CE2 3.74Å; E217-Y219 PolarHBondContact OE2-OH 3Å; E217-R235 HydrophobicContact CB-CG 4.18Å; E217-R235 WeakPolarHBondContact OE2-CD 3.16Å
218	L	96.9	Very high	94.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.4	179.2	179.6	66.4	0	0	0	110	L121 Y131 K200 L213 A220 R235 T236 L237	L121-L218 HydrophobicContact CD1-CD1 3.98Å; L121-L218 HydrophobicContact CD1-CD2 4.21Å; L121-L218 HydrophobicContact CD2-CD1 4.46Å; L121-L218 HydrophobicContact CD2-CD2 4.27Å; Y131-L218 HydrophobicContact CD1-CD2 4.49Å; Y131-L218 HydrophobicContact CE1-CD2 4.04Å; K200-L218 HydrophobicContact CB-CD2 3.72Å; K200-L218 HydrophobicContact CD-CD2 4.33Å; K200-L218 HydrophobicContact CG-CD2 3.92Å; L213-L218 HydrophobicContact CB-CD1 4.31Å; L213-L218 HydrophobicContact CD1-CB 4.04Å; L213-L218 HydrophobicContact CD1-CD1 4.38Å; L218-A220 HydrophobicContact CG-CB 4.47Å; L218-R235 WeakPolarHBondContact O-CA 3.36Å; L218-T236 PolarHBondContact N-O 2.9Å; L218-T236 PolarHBondContact O-N 3.2Å; L218-T236 PolarHBondContact O-OG1 3.47Å; L218-L237 HydrophobicContact CB-CD1 3.66Å; L218-L237 HydrophobicContact CB-CG 3.99Å
219	Y	98	Very high	94.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.1	171.9	-61.1	-101.8	0	0	0	108.7	S211 A212 I214 E217 F234 R235 L275 I299 L301 W314	S211-Y219 CarbonylContact C-O 3.57Å; S211-Y219 WeakPolarHBondContact CA-O 3.42Å; A212-Y219 PolarHBondContact N-O 2.86Å; A212-Y219 PolarHBondContact O-N 3.48Å; I214-Y219 HydrophobicContact CB-CD2 4.38Å; I214-Y219 HydrophobicContact CB-CE2 4.17Å; I214-Y219 HydrophobicContact CD1-CD2 4.31Å; E217-Y219 HydrophobicContact CB-CD2 4.48Å; E217-Y219 HydrophobicContact CB-CE2 3.74Å; E217-Y219 PolarHBondContact OE2-OH 3Å; Y219-F234 CarbonylContact C-O 3.43Å; Y219-F234 WeakPolarHBondContact CA-O 3.46Å; Y219-R235 HydrophobicContact CD1-CB 3.97Å; Y219-R235 HydrophobicContact CD1-CG 4.2Å; Y219-R235 HydrophobicContact CE1-CB 3.9Å; Y219-R235 HydrophobicContact CE1-CG 3.8Å; Y219-R235 HydrophobicContact CE2-CG 4.28Å; Y219-R235 VanDerWaalsContact CZ-CD 3.49Å; Y219-R235 WeakPolarHBondContact OH-CD 3.44Å; Y219-L275 HydrophobicContact CD1-CD2 3.5Å; Y219-L275 VanDerWaalsContact CD1-CD2 3.5Å; Y219-L275 HydrophobicContact CD2-CD2 4.06Å; Y219-L275 HydrophobicContact CE1-CD2 4.33Å; Y219-L275 HydrophobicContact CG-CD2 3.33Å; Y219-I299 HydrophobicContact CD1-CD1 3.93Å; Y219-I299 HydrophobicContact CE1-CD1 4.23Å; Y219-L301 HydrophobicContact CE1-CD1 4.05Å; Y219-L301 HydrophobicContact CE2-CD1 3.83Å; Y219-L301 VanDerWaalsContact CZ-CD1 3.49Å; Y219-L301 WeakPolarHBondContact OH-CD1 3.28Å; Y219-L301 PolarHBondContact OH-O 3.22Å; Y219-W314 HydrophobicContact CD1-CH2 4.07Å; Y219-W314 HydrophobicContact CD1-CZ2 4.33Å; Y219-W314 AromaticContact CE1-CH2 3.74Å; Y219-W314 HydrophobicContact CE1-CH2 3.74Å; Y219-W314 HydrophobicContact CE1-CZ2 4.44Å
220	A	98	Very high	94.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	130.1	-173.5	0	0	0	0	0	112.4	A210 L218 V222 I233 F234	A210-A220 CarbonylContact O-C 3.51Å; A210-A220 WeakPolarHBondContact O-CA 3.41Å; L218-A220 HydrophobicContact CG-CB 4.47Å; A220-V222 HydrophobicContact CB-CG1 4.04Å; A220-I233 CarbonylContact O-C 3.53Å; A220-I233 WeakPolarHBondContact O-CA 3.22Å; A220-F234 PolarHBondContact N-O 3.49Å; A220-F234 PolarHBondContact O-N 3.31Å
221	G	97.9	Very high	94.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	107.5	166.4	0	0	0	0	0	109.4	A210 F258	A210-G221 PolarHBondContact N-O 3.11Å; A210-G221 PolarHBondContact O-N 2.96Å; G221-F258 WeakPolarHBondContact O-CD2 3.31Å
222	V	97	Very high	94.2	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	159.4	-172.8	-60.8	0	0	0	0	112	T209 A220 I224 A232 F234	T209-V222 HydrophobicContact CG2-CB 4.42Å; T209-V222 HydrophobicContact CG2-CG1 3.78Å; A220-V222 HydrophobicContact CB-CG1 4.04Å; V222-I224 HydrophobicContact CG2-CG2 3.93Å; V222-A232 PolarHBondContact N-O 3.4Å; V222-A232 PolarHBondContact O-N 3.06Å; V222-F234 HydrophobicContact CG2-CD2 3.96Å; V222-F234 HydrophobicContact CG2-CE2 4.28Å
223	Y	95.6	Very high	94.3	Very high	9 Å²	9	34.2 Å²	34.2	4%	0.035	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	135.4	162.6	-74	-104.5	0	0	0	110	L207 G228 D230 A231 D255 P256	L207-Y223 HydrophobicContact CD1-CD2 3.9Å; L207-Y223 HydrophobicContact CD1-CG 3.84Å; L207-Y223 HydrophobicContact CD2-CD2 4.43Å; L207-Y223 HydrophobicContact CD2-CE2 4.4Å; Y223-G228 VanDerWaalsContact CD1-O 3.28Å; Y223-G228 WeakPolarHBondContact CD1-O 3.47Å; Y223-G228 WeakPolarHBondContact CE1-O 3.38Å; Y223-D230 WeakPolarHBondContact CA-O 3.31Å; Y223-A231 HydrophobicContact CD1-CB 3.85Å; Y223-A231 HydrophobicContact CD2-CB 4.07Å; Y223-A231 HydrophobicContact CE1-CB 3.66Å; Y223-A231 HydrophobicContact CE2-CB 3.84Å; Y223-A231 HydrophobicContact CG-CB 4.08Å; Y223-D255 PolarHBondContact OH-OD1 3.36Å; Y223-P256 VanDerWaalsContact CE2-O 3.24Å; Y223-P256 WeakPolarHBondContact CE2-O 3.42Å; Y223-P256 PolarHBondContact OH-O 3.42Å
224	I	92.2	Very high	94.4	Very high	16 Å²	16	33.5 Å²	33.5	8%	0.082	18%	0.179	C	C	.	.			trans	-110.8	5.3	-171.9	65.9	151.4	0	0	0	115.1	K198 Y203 V222 D230 F234	K198-I224 HydrophobicContact CG-CB 4.33Å; Y203-I224 VanDerWaalsContact CE2-C 3.47Å; Y203-I224 WeakPolarHBondContact CE2-O 3.45Å; V222-I224 HydrophobicContact CG2-CG2 3.93Å; I224-D230 VanDerWaalsContact CD1-OD2 3.29Å; I224-D230 WeakPolarHBondContact CD1-OD2 3.32Å; I224-D230 HydrophobicContact CG1-CB 4.03Å; I224-D230 WeakPolarHBondContact CG1-OD2 3.41Å; I224-D230 PolarHBondContact N-O 2.79Å; I224-F234 HydrophobicContact CB-CE2 4.48Å; I224-F234 HydrophobicContact CB-CZ 4.42Å; I224-F234 HydrophobicContact CD1-CZ 3.86Å; I224-F234 HydrophobicContact CG1-CZ 4.18Å; I224-F234 HydrophobicContact CG2-CD2 4.11Å; I224-F234 HydrophobicContact CG2-CE2 3.25Å; I224-F234 HydrophobicContact CG2-CZ 3.52Å
225	D	91	Very high	94.5	Very high	32 Å²	32	32.7 Å²	32.7	17%	0.171	17%	0.174	C	C	.	.	S	Bend	trans	-118.9	154.6	-179.8	67.6	-37.8	0	0	0	111.8	M227 G228 T229 D230	D225-M227 PolarHBondContact O-N 3.27Å; D225-M227 WeakPolarHBondContact OD2-CB 3.48Å; D225-G228 PolarHBondContact O-N 2.81Å; D225-G228 WeakPolarHBondContact OD1-CA 3.44Å; D225-G228 PolarHBondContact OD1-N 2.97Å; D225-G228 PolarHBondContact OD2-N 3.48Å; D225-T229 VanDerWaalsContact CG-N 3.29Å; D225-T229 PolarHBondContact OD1-N 3.41Å; D225-T229 WeakPolarHBondContact OD2-CB 3.05Å; D225-T229 PolarHBondContact OD2-N 3.49Å; D225-T229 PolarHBondContact OD2-OG1 3.36Å; D225-D230 HydrophobicContact CB-CB 4.3Å; D225-D230 PolarHBondContact OD1-N 2.75Å; D225-D230 PolarHBondContact OD2-N 2.78Å
226	F	90.1	Very high	94.6	Very high	53 Å²	53	27.4 Å²	27.4	23%	0.232	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25	178.7	179	-92.7	0	0	0	112.7	K109 Y138 Y203	K109-F226 HydrophobicContact CD-CZ 4.21Å; K109-F226 VanDerWaalsContact CE-CZ 3.45Å; K109-F226 HydrophobicContact CG-CE2 4.33Å; K109-F226 HydrophobicContact CG-CZ 3.81Å; Y138-F226 VanDerWaalsContact CB-CE2 3.48Å; Y138-F226 AromaticContact CD1-CD2 3.96Å; Y138-F226 HydrophobicContact CD1-CD2 3.96Å; Y138-F226 AromaticContact CD1-CE2 3.81Å; Y138-F226 HydrophobicContact CD1-CE2 3.81Å; Y138-F226 HydrophobicContact CG-CD2 4.2Å; Y138-F226 AromaticContact CG-CE2 3.81Å; Y138-F226 HydrophobicContact CG-CE2 3.81Å; Y203-F226 HydrophobicContact CD1-CB 4.28Å; Y203-F226 HydrophobicContact CD1-CD2 4.44Å
227	M	89.4	Confident	94.6	Very high	131 Å²	131	23.4 Å²	23.4	65%	0.645	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-14.4	179.6	-64.2	-75.6	98	0	0	113.7	D225 T229	D225-M227 PolarHBondContact O-N 3.27Å; D225-M227 WeakPolarHBondContact OD2-CB 3.48Å; M227-T229 HydrophobicContact CB-CG2 4.02Å
228	G	88.4	Confident	94.2	Very high	20 Å²	20	24.3 Å²	24.3	21%	0.206	15%	0.145	C	C	.	.	S	Bend	trans	68.4	42	-176.6	0	0	0	0	0	113	Y223 D225	Y223-G228 VanDerWaalsContact CD1-O 3.28Å; Y223-G228 WeakPolarHBondContact CD1-O 3.47Å; Y223-G228 WeakPolarHBondContact CE1-O 3.38Å; D225-G228 PolarHBondContact O-N 2.81Å; D225-G228 WeakPolarHBondContact OD1-CA 3.44Å; D225-G228 PolarHBondContact OD1-N 2.97Å; D225-G228 PolarHBondContact OD2-N 3.48Å
229	T	90.9	Very high	93.5	Very high	107 Å²	107	34.5 Å²	34.5	66%	0.656	19%	0.19	S	C	*	.			trans	-118.2	-24.4	-179.7	67.1	0	0	0	0	114	D225 M227 A231	D225-T229 VanDerWaalsContact CG-N 3.29Å; D225-T229 PolarHBondContact OD1-N 3.41Å; D225-T229 WeakPolarHBondContact OD2-CB 3.05Å; D225-T229 PolarHBondContact OD2-N 3.49Å; D225-T229 PolarHBondContact OD2-OG1 3.36Å; M227-T229 HydrophobicContact CB-CG2 4.02Å; T229-A231 PolarHBondContact O-N 2.62Å
230	D	93.8	Very high	92.9	Very high	13 Å²	13	38.6 Å²	38.6	7%	0.07	21%	0.209	C	C	.	.			trans	-100.2	80.9	-179.4	-173	16.7	0	0	0	111	Y223 I224 D225 R244 Q247	Y223-D230 WeakPolarHBondContact CA-O 3.31Å; I224-D230 VanDerWaalsContact CD1-OD2 3.29Å; I224-D230 WeakPolarHBondContact CD1-OD2 3.32Å; I224-D230 HydrophobicContact CG1-CB 4.03Å; I224-D230 WeakPolarHBondContact CG1-OD2 3.41Å; I224-D230 PolarHBondContact N-O 2.79Å; D225-D230 HydrophobicContact CB-CB 4.3Å; D225-D230 PolarHBondContact OD1-N 2.75Å; D225-D230 PolarHBondContact OD2-N 2.78Å; D230-R244 IonicContact OD1-CZ 3.48Å; D230-R244 IonicContact OD1-NH1 3.42Å; D230-R244 IonicContact OD1-NH2 3.63Å; D230-R244 PolarHBondContact OD1-NH2 2.8Å; D230-R244 IonicContact OD2-CZ 2.85Å; D230-R244 IonicContact OD2-NH1 3.27Å; D230-R244 PolarHBondContact OD2-NH1 2.94Å; D230-R244 IonicContact OD2-NH2 3.37Å; D230-R244 PolarHBondContact OD2-NH2 3.4Å; D230-Q247 PolarHBondContact OD2-NE2 3.38Å
231	A	95.9	Very high	92.4	Very high	15 Å²	15	42.5 Å²	42.5	12%	0.124	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	137.8	171.6	0	0	0	0	0	111.9	Y223 T229 P256 F258	Y223-A231 HydrophobicContact CD1-CB 3.85Å; Y223-A231 HydrophobicContact CD2-CB 4.07Å; Y223-A231 HydrophobicContact CE1-CB 3.66Å; Y223-A231 HydrophobicContact CE2-CB 3.84Å; Y223-A231 HydrophobicContact CG-CB 4.08Å; T229-A231 PolarHBondContact O-N 2.62Å; A231-P256 HydrophobicContact CB-CG 3.46Å; A231-P256 VanDerWaalsContact CB-CG 3.46Å; A231-F258 HydrophobicContact CB-CE2 4.4Å
232	A	97.1	Very high	92.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	159.2	170.1	0	0	0	0	0	112.7	V222 F234 R244 T245	V222-A232 PolarHBondContact N-O 3.4Å; V222-A232 PolarHBondContact O-N 3.06Å; A232-F234 HydrophobicContact CB-CD2 3.92Å; A232-F234 HydrophobicContact CB-CE1 4.45Å; A232-F234 HydrophobicContact CB-CE2 3.22Å; A232-F234 HydrophobicContact CB-CZ 3.54Å; A232-F234 WeakPolarHBondContact O-CD2 3.49Å; A232-R244 HydrophobicContact CB-CB 4.48Å; A232-T245 VanDerWaalsContact CA-OG1 3.25Å; A232-T245 WeakPolarHBondContact CA-OG1 3.45Å; A232-T245 WeakPolarHBondContact CB-OG1 3.11Å
233	I	98.3	Very high	92.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.7	164.5	-62.9	165	0	0	0	107.2	A220 R244 T245 L253 F258 F277 W314 F317	A220-I233 CarbonylContact O-C 3.53Å; A220-I233 WeakPolarHBondContact O-CA 3.22Å; I233-R244 CarbonylContact O-C 3.58Å; I233-R244 VanDerWaalsContact O-CA 3.32Å; I233-R244 WeakPolarHBondContact O-CA 3.3Å; I233-T245 HydrophobicContact CB-CG2 3.89Å; I233-T245 HydrophobicContact CD1-CG2 4.46Å; I233-T245 HydrophobicContact CG1-CG2 4.41Å; I233-T245 PolarHBondContact N-OG1 3.23Å; I233-T245 PolarHBondContact O-N 2.9Å; I233-T245 VanDerWaalsContact O-N 3.16Å; I233-L253 HydrophobicContact CG1-CD1 4.31Å; I233-F258 HydrophobicContact CD1-CE1 4.19Å; I233-F258 HydrophobicContact CG1-CE1 3.65Å; I233-F258 HydrophobicContact CG1-CZ 4.16Å; I233-F277 HydrophobicContact CD1-CB 4.14Å; I233-F277 HydrophobicContact CD1-CD1 4.34Å; I233-F277 HydrophobicContact CD1-CD2 4.1Å; I233-F277 HydrophobicContact CD1-CG 3.93Å; I233-F277 HydrophobicContact CG1-CD1 4.34Å; I233-F277 HydrophobicContact CG1-CG 4.41Å; I233-F277 HydrophobicContact CG2-CD1 4.46Å; I233-F277 HydrophobicContact CG2-CD2 4.05Å; I233-F277 HydrophobicContact CG2-CE1 3.97Å; I233-F277 HydrophobicContact CG2-CE2 3.5Å; I233-F277 HydrophobicContact CG2-CG 4.49Å; I233-F277 HydrophobicContact CG2-CZ 3.46Å; I233-F277 VanDerWaalsContact CG2-CZ 3.46Å; I233-W314 PolarHBondContact O-NE1 3.01Å; I233-F317 HydrophobicContact CD1-CD2 4.38Å; I233-F317 HydrophobicContact CD1-CE2 3.65Å; I233-F317 HydrophobicContact CD1-CZ 4.29Å
234	F	97.1	Very high	92.1	Very high	16 Å²	16	46.6 Å²	46.6	7%	0.07	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	151.9	-177.7	-70.6	-89.7	0	0	0	112.1	Y219 A220 V222 I224 A232 T236 M243 R244	Y219-F234 CarbonylContact C-O 3.43Å; Y219-F234 WeakPolarHBondContact CA-O 3.46Å; A220-F234 PolarHBondContact N-O 3.49Å; A220-F234 PolarHBondContact O-N 3.31Å; V222-F234 HydrophobicContact CG2-CD2 3.96Å; V222-F234 HydrophobicContact CG2-CE2 4.28Å; I224-F234 HydrophobicContact CB-CE2 4.48Å; I224-F234 HydrophobicContact CB-CZ 4.42Å; I224-F234 HydrophobicContact CD1-CZ 3.86Å; I224-F234 HydrophobicContact CG1-CZ 4.18Å; I224-F234 HydrophobicContact CG2-CD2 4.11Å; I224-F234 HydrophobicContact CG2-CE2 3.25Å; I224-F234 HydrophobicContact CG2-CZ 3.52Å; A232-F234 HydrophobicContact CB-CD2 3.92Å; A232-F234 HydrophobicContact CB-CE1 4.45Å; A232-F234 HydrophobicContact CB-CE2 3.22Å; A232-F234 HydrophobicContact CB-CZ 3.54Å; A232-F234 WeakPolarHBondContact O-CD2 3.49Å; F234-T236 HydrophobicContact CB-CG2 4.09Å; F234-M243 CarbonylContact C-O 3.56Å; F234-M243 VanDerWaalsContact CA-O 3.24Å; F234-M243 WeakPolarHBondContact CA-O 3.47Å; F234-R244 HydrophobicContact CD1-CB 3.6Å; F234-R244 HydrophobicContact CE1-CB 3.44Å; F234-R244 VanDerWaalsContact CE1-CB 3.44Å; F234-R244 HydrophobicContact CE1-CG 4.24Å; F234-R244 HydrophobicContact CG-CB 4.38Å; F234-R244 HydrophobicContact CZ-CB 4.1Å
235	R	97.1	Very high	92.4	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.015	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.6	151.8	176.8	-174.9	72.3	-163.6	2.9	107.7	E217 L218 Y219 A242 M243 D303 W314	E217-R235 HydrophobicContact CB-CG 4.18Å; E217-R235 WeakPolarHBondContact OE2-CD 3.16Å; L218-R235 WeakPolarHBondContact O-CA 3.36Å; Y219-R235 HydrophobicContact CD1-CB 3.97Å; Y219-R235 HydrophobicContact CD1-CG 4.2Å; Y219-R235 HydrophobicContact CE1-CB 3.9Å; Y219-R235 HydrophobicContact CE1-CG 3.8Å; Y219-R235 HydrophobicContact CE2-CG 4.28Å; Y219-R235 VanDerWaalsContact CZ-CD 3.49Å; Y219-R235 WeakPolarHBondContact OH-CD 3.44Å; R235-A242 CarbonylContact O-C 3.43Å; R235-A242 VanDerWaalsContact O-CA 3.23Å; R235-A242 WeakPolarHBondContact O-CA 3.5Å; R235-M243 HydrophobicContact CB-CB 4.17Å; R235-M243 PolarHBondContact N-O 3.37Å; R235-M243 PolarHBondContact O-N 3.09Å; R235-D303 PolarHBondContact NH1-O 3.04Å; R235-D303 PolarHBondContact NH2-O 3.04Å; R235-W314 HydrophobicContact CB-CH2 3.45Å; R235-W314 VanDerWaalsContact CB-CH2 3.45Å; R235-W314 HydrophobicContact CB-CZ2 3.58Å; R235-W314 HydrophobicContact CG-CH2 4.35Å
236	T	95.3	Very high	92.6	Very high	14 Å²	14	44.8 Å²	44.8	9%	0.086	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	177.9	177.8	62.2	0	0	0	0	109.3	K200 L218 F234	K200-T236 HydrophobicContact CG-CG2 4.47Å; L218-T236 PolarHBondContact N-O 2.9Å; L218-T236 PolarHBondContact O-N 3.2Å; L218-T236 PolarHBondContact O-OG1 3.47Å; F234-T236 HydrophobicContact CB-CG2 4.09Å
237	L	90.7	Very high	92.7	Very high	34 Å²	34	45.4 Å²	45.4	18%	0.178	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	61.7	-171.5	-170	-48.5	-179.3	0	0	0	111.4	W125 Y131 K200 L213 E216 L218	W125-L237 HydrophobicContact CZ3-CD1 3.94Å; Y131-L237 HydrophobicContact CD1-CD1 4.27Å; Y131-L237 HydrophobicContact CE1-CD1 3.85Å; Y131-L237 HydrophobicContact CE2-CD1 4.42Å; K200-L237 HydrophobicContact CD-CD2 4.41Å; L213-L237 HydrophobicContact CD1-CD1 4.2Å; E216-L237 WeakPolarHBondContact O-CB 3.03Å; L218-L237 HydrophobicContact CB-CD1 3.66Å; L218-L237 HydrophobicContact CB-CG 3.99Å
238	G	86.4	Confident	92.7	Very high	45 Å²	45	48.4 Å²	48.4	46%	0.464	26%	0.26	S	S	.	.	S	Bend	trans	71.1	-170.4	-175.6	0	0	0	0	0	114.4	E216	E216-G238 PolarHBondContact O-N 3.02Å
239	K	83.8	Confident	92.8	Very high	214 Å²	214	48.5 Å²	48.5	93%	0.93	26%	0.256	S	S	*	.	S	Bend	trans	-91.6	-17.5	179.4	-64.4	177.8	-177.6	173.9	0	112.8
240	Q	83.9	Confident	92.8	Very high	86 Å²	86	46.5 Å²	46.5	40%	0.402	25%	0.246	S	C	.	.	S	Bend	trans	-81.1	160.7	-176.7	-60.3	-162.5	-14.2	0	0	111.1	D304	Q240-D304 PolarHBondContact NE2-OD1 3.5Å; Q240-D304 PolarHBondContact OE1-OD1 3.05Å
241	T	88.1	Confident	92.7	Very high	82 Å²	82	52.3 Å²	52.3	50%	0.503	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-65.2	145.3	172.8	48.1	0	0	0	0	110.3	M243 N312	T241-M243 PolarHBondContact O-N 2.63Å; T241-N312 WeakPolarHBondContact CB-OD1 3.29Å; T241-N312 PolarHBondContact OG1-OD1 3.37Å
242	A	93.3	Very high	92.7	Very high	60 Å²	60	51.7 Å²	51.7	50%	0.496	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-61.8	130.7	177.5	0	0	0	0	0	110.3	R235	R235-A242 CarbonylContact O-C 3.43Å; R235-A242 VanDerWaalsContact O-CA 3.23Å; R235-A242 WeakPolarHBondContact O-CA 3.5Å
243	M	95.5	Very high	92.6	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	150	178	-70	-86.5	-74.3	0	0	110.3	F234 R235 T241 D303 N312 K313 W314	F234-M243 CarbonylContact C-O 3.56Å; F234-M243 VanDerWaalsContact CA-O 3.24Å; F234-M243 WeakPolarHBondContact CA-O 3.47Å; R235-M243 HydrophobicContact CB-CB 4.17Å; R235-M243 PolarHBondContact N-O 3.37Å; R235-M243 PolarHBondContact O-N 3.09Å; T241-M243 PolarHBondContact O-N 2.63Å; M243-D303 HydrophobicContact CE-CB 4.45Å; M243-N312 WeakPolarHBondContact CA-O 3.22Å; M243-N312 VanDerWaalsContact SD-C 3.56Å; M243-K313 VanDerWaalsContact CE-C 3.46Å; M243-K313 WeakPolarHBondContact CE-O 3.23Å; M243-W314 HydrophobicContact CB-CD2 4.32Å; M243-W314 HydrophobicContact CB-CE3 4.41Å; M243-W314 HydrophobicContact CB-CH2 3.89Å; M243-W314 HydrophobicContact CB-CZ2 3.81Å; M243-W314 HydrophobicContact CB-CZ3 4.19Å; M243-W314 HydrophobicContact CE-CD2 3.93Å; M243-W314 HydrophobicContact CE-CE3 3.39Å; M243-W314 HydrophobicContact CE-CG 4.48Å; M243-W314 HydrophobicContact CE-CZ3 3.75Å; M243-W314 HydrophobicContact CG-CH2 4.41Å; M243-W314 HydrophobicContact CG-CZ3 4.38Å
244	R	96.3	Very high	92.5	Very high	35 Å²	35	54.7 Å²	54.7	13%	0.132	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	165.5	173.5	65.8	171.2	-66.1	160.1	6.7	114	D230 A232 I233 F234 N312 K313 W314	D230-R244 IonicContact OD1-CZ 3.48Å; D230-R244 IonicContact OD1-NH1 3.42Å; D230-R244 IonicContact OD1-NH2 3.63Å; D230-R244 PolarHBondContact OD1-NH2 2.8Å; D230-R244 IonicContact OD2-CZ 2.85Å; D230-R244 IonicContact OD2-NH1 3.27Å; D230-R244 PolarHBondContact OD2-NH1 2.94Å; D230-R244 IonicContact OD2-NH2 3.37Å; D230-R244 PolarHBondContact OD2-NH2 3.4Å; A232-R244 HydrophobicContact CB-CB 4.48Å; I233-R244 CarbonylContact O-C 3.58Å; I233-R244 VanDerWaalsContact O-CA 3.32Å; I233-R244 WeakPolarHBondContact O-CA 3.3Å; F234-R244 HydrophobicContact CD1-CB 3.6Å; F234-R244 HydrophobicContact CE1-CB 3.44Å; F234-R244 VanDerWaalsContact CE1-CB 3.44Å; F234-R244 HydrophobicContact CE1-CG 4.24Å; F234-R244 HydrophobicContact CG-CB 4.38Å; F234-R244 HydrophobicContact CZ-CB 4.1Å; R244-N312 PolarHBondContact N-O 3.36Å; R244-N312 VanDerWaalsContact N-O 3.16Å; R244-K313 HydrophobicContact CG-CG 4.45Å; R244-K313 WeakPolarHBondContact O-CA 3.27Å; R244-K313 WeakPolarHBondContact O-CB 3.45Å; R244-W314 PolarHBondContact O-N 2.92Å; R244-W314 VanDerWaalsContact O-N 3.12Å
245	T	97.3	Very high	92.3	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.012	29%	0.294	C	S	.	.			trans	-66.6	155	164.5	47.2	0	0	0	0	111.6	A232 I233 Q247 W252 L253	A232-T245 VanDerWaalsContact CA-OG1 3.25Å; A232-T245 WeakPolarHBondContact CA-OG1 3.45Å; A232-T245 WeakPolarHBondContact CB-OG1 3.11Å; I233-T245 HydrophobicContact CB-CG2 3.89Å; I233-T245 HydrophobicContact CD1-CG2 4.46Å; I233-T245 HydrophobicContact CG1-CG2 4.41Å; I233-T245 PolarHBondContact N-OG1 3.23Å; I233-T245 PolarHBondContact O-N 2.9Å; I233-T245 VanDerWaalsContact O-N 3.16Å; T245-Q247 PolarHBondContact O-N 2.96Å; T245-Q247 VanDerWaalsContact O-N 3.13Å; T245-W252 HydrophobicContact CG2-CE3 3.85Å; T245-W252 HydrophobicContact CG2-CZ3 4.23Å; T245-L253 HydrophobicContact CG2-CD1 4.03Å; T245-L253 WeakPolarHBondContact OG1-CD1 3.43Å
246	D	95.4	Very high	92.3	Very high	9 Å²	9	57.6 Å²	57.6	5%	0.048	29%	0.294	C	S	.	.			trans	-61.1	115.2	-179.4	-163.4	25.2	0	0	0	110.9	N249 W252 L310 K313 R436	D246-N249 HydrophobicContact CB-CB 4.1Å; D246-N249 PolarHBondContact OD2-ND2 3.43Å; D246-W252 HydrophobicContact CB-CD2 3.79Å; D246-W252 HydrophobicContact CB-CE3 4.14Å; D246-W252 HydrophobicContact CB-CG 4.23Å; D246-W252 HydrophobicContact CB-CH2 3.98Å; D246-W252 HydrophobicContact CB-CZ2 3.73Å; D246-W252 HydrophobicContact CB-CZ3 4.22Å; D246-W252 VanDerWaalsContact N-CE3 3.34Å; D246-L310 HydrophobicContact CB-CD2 4.5Å; D246-K313 HydrophobicContact CB-CD 4.36Å; D246-K313 WeakPolarHBondContact OD1-CD 3.44Å; D246-K313 WeakPolarHBondContact OD1-CE 3.32Å; D246-K313 IonicContact OD1-NZ 2.96Å; D246-K313 PolarHBondContact OD1-NZ 2.87Å; D246-R436 IonicContact OD2-CZ 3.31Å; D246-R436 IonicContact OD2-NE 2.87Å; D246-R436 PolarHBondContact OD2-NE 3.35Å; D246-R436 IonicContact OD2-NH2 3.79Å
247	Q	93.3	Very high	92.4	Very high	65 Å²	65	57.9 Å²	57.9	30%	0.304	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	143.2	-173.5	-166	-178.6	29	0	0	111	D230 T245 N249	D230-Q247 PolarHBondContact OD2-NE2 3.38Å; T245-Q247 PolarHBondContact O-N 2.96Å; T245-Q247 VanDerWaalsContact O-N 3.13Å; Q247-N249 PolarHBondContact O-N 3.41Å; Q247-N249 VanDerWaalsContact O-N 3.11Å
248	Y	87.9	Confident	92.8	Very high	195 Å²	195	56.3 Å²	56.3	77%	0.765	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	18.2	-179.9	-46.3	-56.3	0	0	0	114.7
249	N	91.9	Very high	93.3	Very high	22 Å²	22	55.5 Å²	55.5	12%	0.118	27%	0.274	C	S	.	.			trans	-107.4	94.9	177.3	-170.5	-14.4	0	0	0	110.1	D246 Q247 R251 W252	D246-N249 HydrophobicContact CB-CB 4.1Å; D246-N249 PolarHBondContact OD2-ND2 3.43Å; Q247-N249 PolarHBondContact O-N 3.41Å; Q247-N249 VanDerWaalsContact O-N 3.11Å; N249-R251 PolarHBondContact O-N 2.86Å; N249-R251 WeakPolarHBondContact OD1-CB 3.27Å; N249-R251 PolarHBondContact OD1-N 3.05Å; N249-W252 PolarHBondContact ND2-NE1 2.79Å; N249-W252 WeakPolarHBondContact O-CB 3.29Å; N249-W252 PolarHBondContact O-N 3.11Å
250	S	91.1	Very high	94	Very high	64 Å²	64	47.7 Å²	47.7	45%	0.448	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.4	-177.7	59.9	0	0	0	0	114.4	W252 L253	S250-W252 PolarHBondContact O-N 2.92Å; S250-L253 WeakPolarHBondContact CA-O 3.38Å
251	R	91.6	Very high	94.6	Very high	135 Å²	135	44 Å²	44	51%	0.509	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-31.5	170.7	-61.2	-176.4	-179.5	89	-3.5	111.5	N249 K319 P439	N249-R251 PolarHBondContact O-N 2.86Å; N249-R251 WeakPolarHBondContact OD1-CB 3.27Å; N249-R251 PolarHBondContact OD1-N 3.05Å; R251-K319 WeakPolarHBondContact O-CE 3.49Å; R251-K319 PolarHBondContact O-NZ 2.89Å; R251-P439 HydrophobicContact CB-CG 4.07Å; R251-P439 VanDerWaalsContact O-CG 3.3Å; R251-P439 WeakPolarHBondContact O-CG 3.42Å
252	W	95.1	Very high	95.1	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.008	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-56.4	-177.5	-74.2	53.5	0	0	0	111.4	T245 D246 N249 S250 L310 W314 F317 K319 R436 P439	T245-W252 HydrophobicContact CG2-CE3 3.85Å; T245-W252 HydrophobicContact CG2-CZ3 4.23Å; D246-W252 HydrophobicContact CB-CD2 3.79Å; D246-W252 HydrophobicContact CB-CE3 4.14Å; D246-W252 HydrophobicContact CB-CG 4.23Å; D246-W252 HydrophobicContact CB-CH2 3.98Å; D246-W252 HydrophobicContact CB-CZ2 3.73Å; D246-W252 HydrophobicContact CB-CZ3 4.22Å; D246-W252 VanDerWaalsContact N-CE3 3.34Å; N249-W252 PolarHBondContact ND2-NE1 2.79Å; N249-W252 WeakPolarHBondContact O-CB 3.29Å; N249-W252 PolarHBondContact O-N 3.11Å; S250-W252 PolarHBondContact O-N 2.92Å; W252-L310 HydrophobicContact CH2-CD1 4.15Å; W252-L310 HydrophobicContact CH2-CD2 4.14Å; W252-L310 HydrophobicContact CZ2-CD1 4.1Å; W252-L310 HydrophobicContact CZ2-CD2 4.02Å; W252-W314 WeakPolarHBondContact CH2-O 3.44Å; W252-W314 HydrophobicContact CZ3-CB 4.1Å; W252-F317 HydrophobicContact CB-CE1 4.4Å; W252-F317 HydrophobicContact CD2-CD1 4.14Å; W252-F317 HydrophobicContact CE3-CB 4.32Å; W252-F317 AromaticContact CE3-CD1 3.63Å; W252-F317 HydrophobicContact CE3-CD1 3.63Å; W252-F317 HydrophobicContact CE3-CE1 4.32Å; W252-F317 HydrophobicContact CE3-CG 4.22Å; W252-F317 HydrophobicContact CZ3-CB 4.07Å; W252-F317 HydrophobicContact CZ3-CD1 4.25Å; W252-F317 HydrophobicContact CZ3-CG 4.45Å; W252-K319 WeakPolarHBondContact O-CE 3.39Å; W252-K319 PolarHBondContact O-NZ 2.81Å; W252-R436 PolarHBondContact NE1-O 2.91Å; W252-P439 HydrophobicContact CG-CG 4.29Å
253	L	95.9	Very high	95.2	Very high	18 Å²	18	42.6 Å²	42.6	9%	0.094	20%	0.203	C	C	.	.			trans	-142.5	133.7	178	-66.8	173.6	0	0	0	109	I233 T245 S250 P256 F258 F279 F317	I233-L253 HydrophobicContact CG1-CD1 4.31Å; T245-L253 HydrophobicContact CG2-CD1 4.03Å; T245-L253 WeakPolarHBondContact OG1-CD1 3.43Å; S250-L253 WeakPolarHBondContact CA-O 3.38Å; L253-P256 HydrophobicContact CB-CG 4.15Å; L253-P256 HydrophobicContact CD1-CG 4.47Å; L253-P256 HydrophobicContact CD2-CB 4.32Å; L253-P256 HydrophobicContact CD2-CG 4.33Å; L253-F258 HydrophobicContact CD1-CZ 4.14Å; L253-F279 HydrophobicContact CD2-CD2 4.29Å; L253-F279 HydrophobicContact CD2-CE2 3.63Å; L253-F279 HydrophobicContact CD2-CZ 3.76Å; L253-F317 HydrophobicContact CD2-CZ 4.3Å
254	N	94.5	Very high	95.3	Very high	46 Å²	46	42.6 Å²	42.6	25%	0.246	20%	0.203	C	C	.	.	S	Bend	trans	-132.4	91.2	-178.5	-173.8	30.7	0	0	0	111.4	E281 R282	N254-E281 PolarHBondContact N-OE2 3.28Å; N254-E281 VanDerWaalsContact N-OE2 3.09Å; N254-E281 WeakPolarHBondContact O-CB 3.29Å; N254-R282 WeakPolarHBondContact ND2-CB 3.47Å; N254-R282 PolarHBondContact ND2-O 3.27Å; N254-R282 PolarHBondContact O-N 2.75Å
255	D	94.5	Very high	95.1	Very high	78 Å²	78	42 Å²	42	42%	0.417	20%	0.204	S	C	.	.	S	Bend	trans	53.1	59.1	-175.2	-164.8	30.3	0	0	0	112.6	Y223 R282	Y223-D255 PolarHBondContact OH-OD1 3.36Å; D255-R282 HydrophobicContact CB-CG 4.16Å; D255-R282 IonicContact OD2-CZ 3.19Å; D255-R282 IonicContact OD2-NE 3Å; D255-R282 PolarHBondContact OD2-NE 2.82Å; D255-R282 IonicContact OD2-NH2 3.87Å; D255-R282 PolarHBondContact OD2-NH2 2.94Å
256	P	96.8	Very high	94.7	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.019	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-80.7	140.6	-174.7	35.4	-37.3	0	0	0	112.8	Y223 A231 L253 F258 F279 R280 E281	Y223-P256 VanDerWaalsContact CE2-O 3.24Å; Y223-P256 WeakPolarHBondContact CE2-O 3.42Å; Y223-P256 PolarHBondContact OH-O 3.42Å; A231-P256 HydrophobicContact CB-CG 3.46Å; A231-P256 VanDerWaalsContact CB-CG 3.46Å; L253-P256 HydrophobicContact CB-CG 4.15Å; L253-P256 HydrophobicContact CD1-CG 4.47Å; L253-P256 HydrophobicContact CD2-CB 4.32Å; L253-P256 HydrophobicContact CD2-CG 4.33Å; P256-F258 HydrophobicContact CB-CE1 4.32Å; P256-F258 HydrophobicContact CB-CE2 4.34Å; P256-F258 HydrophobicContact CB-CZ 4.09Å; P256-F258 HydrophobicContact CG-CE1 4.33Å; P256-F258 HydrophobicContact CG-CE2 3.82Å; P256-F258 HydrophobicContact CG-CZ 3.64Å; P256-F279 HydrophobicContact CB-CD2 3.97Å; P256-R280 CarbonylContact C-O 3.55Å; P256-R280 VanDerWaalsContact CA-O 3.22Å; P256-R280 WeakPolarHBondContact CA-O 3.27Å; P256-E281 HydrophobicContact CB-CB 4.23Å
257	S	97.2	Very high	94.3	Very high	20 Å²	20	44.7 Å²	44.7	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.2	158.1	163.1	0	0	0	0	107.9	D208 I259 F279 R280	D208-S257 PolarHBondContact OD2-OG 2.66Å; S257-I259 WeakPolarHBondContact O-CD1 3.29Å; S257-F279 CarbonylContact O-C 3.49Å; S257-F279 WeakPolarHBondContact O-CA 3.32Å; S257-F279 WeakPolarHBondContact O-CB 3.41Å; S257-R280 PolarHBondContact N-O 2.83Å; S257-R280 PolarHBondContact O-N 2.72Å; S257-R280 PolarHBondContact OG-NH1 3.19Å; S257-R280 PolarHBondContact OG-NH2 3.05Å
258	F	98.1	Very high	94	Very high	1 Å²	1	46 Å²	46	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.7	-177.5	-59.6	-80.8	0	0	0	111	D208 A210 G221 A231 I233 L253 P256 F279	D208-F258 WeakPolarHBondContact CB-O 3.01Å; A210-F258 HydrophobicContact CB-CB 3.85Å; G221-F258 WeakPolarHBondContact O-CD2 3.31Å; A231-F258 HydrophobicContact CB-CE2 4.4Å; I233-F258 HydrophobicContact CD1-CE1 4.19Å; I233-F258 HydrophobicContact CG1-CE1 3.65Å; I233-F258 HydrophobicContact CG1-CZ 4.16Å; L253-F258 HydrophobicContact CD1-CZ 4.14Å; P256-F258 HydrophobicContact CB-CE1 4.32Å; P256-F258 HydrophobicContact CB-CE2 4.34Å; P256-F258 HydrophobicContact CB-CZ 4.09Å; P256-F258 HydrophobicContact CG-CE1 4.33Å; P256-F258 HydrophobicContact CG-CE2 3.82Å; P256-F258 HydrophobicContact CG-CZ 3.64Å; F258-F279 HydrophobicContact CD1-CB 3.92Å; F258-F279 HydrophobicContact CD1-CG 4.38Å
259	I	97.9	Very high	94.1	Very high	28 Å²	28	41 Å²	41	14%	0.144	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-50.3	-173.2	-69.9	85.8	0	0	0	111.3	S257 F278 R280 L339 V342	S257-I259 WeakPolarHBondContact O-CD1 3.29Å; I259-F278 PolarHBondContact N-O 3.35Å; I259-R280 HydrophobicContact CD1-CG 4.26Å; I259-L339 HydrophobicContact CB-CD2 4.47Å; I259-L339 HydrophobicContact CD1-CB 4.48Å; I259-L339 HydrophobicContact CD1-CD2 4.14Å; I259-L339 HydrophobicContact CD1-CG 4.21Å; I259-L339 HydrophobicContact CG1-CD2 4.41Å; I259-L339 HydrophobicContact CG1-CG 4.25Å; I259-V342 HydrophobicContact CG2-CG2 4.12Å
260	H	97.8	Very high	94.1	Very high	50 Å²	50	49.3 Å²	49.3	23%	0.231	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152.9	-172.8	-166.7	75.7	0	0	0	112.5	F278 V342	H260-F278 HydrophobicContact CB-CB 4.19Å; H260-F278 HydrophobicContact CB-CD2 4.11Å; H260-F278 HydrophobicContact CB-CG 4.49Å; H260-F278 PolarHBondContact N-O 2.65Å; H260-F278 PolarHBondContact O-N 3.06Å; H260-V342 HydrophobicContact CB-CB 3.87Å; H260-V342 HydrophobicContact CB-CG1 4.45Å; H260-V342 HydrophobicContact CB-CG2 4.43Å
261	A	97.9	Very high	94.2	Very high	8 Å²	8	49.3 Å²	49.3	7%	0.066	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	130.7	173.5	0	0	0	0	0	109.9	A210 A212 Y276 F277	A210-A261 HydrophobicContact CB-CB 4.11Å; A212-A261 HydrophobicContact CB-CB 4.43Å; A261-Y276 VanDerWaalsContact CA-O 3.22Å; A261-Y276 WeakPolarHBondContact CA-O 3.26Å; A261-F277 HydrophobicContact CB-CD1 3.82Å; A261-F277 HydrophobicContact CB-CE1 3.71Å; A261-F277 HydrophobicContact CB-CG 4.44Å; A261-F277 HydrophobicContact CB-CZ 4.25Å
262	E	97	Very high	94.2	Very high	57 Å²	57	43.2 Å²	43.2	27%	0.266	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	135	-175.6	-176.2	74.3	169.9	0	0	111	I264 L275 Y276 V344 Q346	E262-I264 HydrophobicContact CB-CG1 4.46Å; E262-I264 HydrophobicContact CG-CD1 4.41Å; E262-I264 HydrophobicContact CG-CG1 3.96Å; E262-I264 PolarHBondContact O-N 3.42Å; E262-L275 VanDerWaalsContact C-CD1 3.45Å; E262-L275 WeakPolarHBondContact O-CD1 3.02Å; E262-Y276 PolarHBondContact N-O 3.35Å; E262-Y276 PolarHBondContact O-N 2.85Å; E262-V344 HydrophobicContact CB-CG2 4.27Å; E262-V344 HydrophobicContact CG-CB 4.42Å; E262-V344 HydrophobicContact CG-CG1 4.26Å; E262-V344 HydrophobicContact CG-CG2 4.2Å; E262-Q346 PolarHBondContact OE1-NE2 2.91Å; E262-Q346 VanDerWaalsContact OE1-NE2 3.1Å
263	L	96.9	Very high	94.1	Very high	55 Å²	55	44 Å²	44	29%	0.288	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118	172.9	178.2	66.8	0	0	0	109.5	I214 D273 L275 L301	I214-L263 HydrophobicContact CD1-CB 3.95Å; I214-L263 HydrophobicContact CD1-CD1 4.32Å; I214-L263 HydrophobicContact CD1-CD2 4.37Å; I214-L263 HydrophobicContact CD1-CG 4.45Å; I214-L263 HydrophobicContact CG2-CD2 4.3Å; L263-D273 HydrophobicContact CD1-CB 4.26Å; L263-L275 HydrophobicContact CB-CD1 4.45Å; L263-L301 HydrophobicContact CD1-CD2 4.29Å
264	I	96.5	Very high	94.2	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	108.2	177.3	-51.8	173.1	0	0	0	108.6	E262 K274 Y276 P353 M376	E262-I264 HydrophobicContact CB-CG1 4.46Å; E262-I264 HydrophobicContact CG-CD1 4.41Å; E262-I264 HydrophobicContact CG-CG1 3.96Å; E262-I264 PolarHBondContact O-N 3.42Å; I264-K274 PolarHBondContact N-O 3.34Å; I264-K274 VanDerWaalsContact O-O 3.11Å; I264-Y276 HydrophobicContact CB-CD2 3.77Å; I264-Y276 HydrophobicContact CB-CE2 3.83Å; I264-Y276 HydrophobicContact CD1-CD2 4.08Å; I264-Y276 HydrophobicContact CD1-CG 4.38Å; I264-Y276 HydrophobicContact CG1-CD2 4.1Å; I264-P353 HydrophobicContact CD1-CG 3.96Å; I264-P353 HydrophobicContact CG1-CG 4.3Å; I264-P353 HydrophobicContact CG2-CG 3.95Å; I264-M376 HydrophobicContact CB-CE 4.43Å; I264-M376 HydrophobicContact CD1-CE 4.24Å; I264-M376 HydrophobicContact CD1-SD 3.86Å; I264-M376 HydrophobicContact CG2-CE 3.86Å; I264-M376 HydrophobicContact CG2-SD 4.46Å
265	P	92.6	Very high	94.3	Very high	24 Å²	24	41.5 Å²	41.5	16%	0.156	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	135.9	177	-25.8	36.3	0	0	0	112	D273 R351 R380	P265-D273 VanDerWaalsContact CB-OD1 3.27Å; P265-D273 WeakPolarHBondContact CB-OD1 3.46Å; P265-R351 HydrophobicContact CB-CG 4.15Å; P265-R380 PolarHBondContact O-NH2 3.41Å
266	D	87.7	Confident	94.5	Very high	36 Å²	36	37.8 Å²	37.8	19%	0.193	20%	0.199	C	C	.	.	S	Bend	trans	-86.3	-27.4	175.5	-98.3	-3.1	0	0	0	113.3	K274 Y276 R298 R380	D266-K274 VanDerWaalsContact OD2-CD 3.27Å; D266-K274 WeakPolarHBondContact OD2-CD 3.41Å; D266-K274 WeakPolarHBondContact OD2-CE 3.46Å; D266-K274 IonicContact OD2-NZ 2.68Å; D266-K274 PolarHBondContact OD2-NZ 3.44Å; D266-Y276 PolarHBondContact OD1-OH 2.77Å; D266-R298 IonicContact OD2-NH1 2.79Å; D266-R298 PolarHBondContact OD2-NH1 2.95Å; D266-R380 IonicContact OD1-CZ 3.96Å; D266-R380 IonicContact OD1-NE 2.71Å; D266-R380 PolarHBondContact OD1-NE 3.4Å; D266-R380 IonicContact OD1-NH2 3.8Å; D266-R380 PolarHBondContact OD1-NH2 2.95Å
267	S	88.5	Confident	94.6	Very high	30 Å²	30	37.6 Å²	37.6	21%	0.21	20%	0.198	C	C	.	.	S	Bend	trans	-139.7	-173	179.7	89.1	0	0	0	0	110.6	E269 D272	S267-E269 VanDerWaalsContact C-N 3.28Å; S267-E269 WeakPolarHBondContact OG-CB 3.19Å; S267-E269 PolarHBondContact OG-N 3.21Å; S267-E269 PolarHBondContact OG-O 2.86Å; S267-D272 WeakPolarHBondContact CB-OD2 3.5Å; S267-D272 WeakPolarHBondContact OG-CB 3.38Å; S267-D272 PolarHBondContact OG-OD2 2.88Å
268	A	87.5	Confident	94.7	Very high	93 Å²	93	36.7 Å²	36.7	77%	0.769	19%	0.192	S	C	*	.	S	Bend	trans	-79.6	-14.9	171	0	0	0	0	0	112.4
269	E	89.8	Confident	94.7	Very high	90 Å²	90	36.7 Å²	36.7	42%	0.421	19%	0.191	S	C	.	.	S	Bend	trans	-83.4	127.8	177.6	-177.8	55.2	-98.1	0	0	109.7	S267 N271 D272	S267-E269 VanDerWaalsContact C-N 3.28Å; S267-E269 WeakPolarHBondContact OG-CB 3.19Å; S267-E269 PolarHBondContact OG-N 3.21Å; S267-E269 PolarHBondContact OG-O 2.86Å; E269-N271 HydrophobicContact CG-CB 4.08Å; E269-N271 PolarHBondContact O-N 3.07Å; E269-D272 WeakPolarHBondContact O-CB 3.35Å; E269-D272 PolarHBondContact O-N 3Å
270	R	90.7	Very high	94.7	Very high	196 Å²	196	37.3 Å²	37.3	74%	0.74	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-67.1	-27.2	-176.3	-72.4	-179.7	172.8	-97.2	2.2	112.4	D272 D273	R270-D272 PolarHBondContact O-N 2.04Å; R270-D273 WeakPolarHBondContact O-CB 3.21Å; R270-D273 PolarHBondContact O-N 3.3Å; R270-D273 VanDerWaalsContact O-N 3.08Å
271	N	93	Very high	94.6	Very high	64 Å²	64	35 Å²	35	34%	0.342	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-65.9	-16.8	175.1	-67.8	-24.1	0	0	0	112.8	E269 N302 C412 G414	E269-N271 HydrophobicContact CG-CB 4.08Å; E269-N271 PolarHBondContact O-N 3.07Å; N271-N302 PolarHBondContact O-ND2 3.49Å; N271-C412 WeakPolarHBondContact O-CB 3.46Å; N271-G414 WeakPolarHBondContact CB-O 3.44Å; N271-G414 PolarHBondContact ND2-O 2.7Å
272	D	92	Very high	94.4	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.043	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-91.7	1.5	174.9	-67.3	-36	0	0	0	112.8	S267 E269 R270 K274 G415 T416	S267-D272 WeakPolarHBondContact CB-OD2 3.5Å; S267-D272 WeakPolarHBondContact OG-CB 3.38Å; S267-D272 PolarHBondContact OG-OD2 2.88Å; E269-D272 WeakPolarHBondContact O-CB 3.35Å; E269-D272 PolarHBondContact O-N 3Å; R270-D272 PolarHBondContact O-N 2.04Å; D272-K274 PolarHBondContact O-N 3.28Å; D272-K274 PolarHBondContact O-NZ 3Å; D272-K274 VanDerWaalsContact O-NZ 3.07Å; D272-G415 WeakPolarHBondContact OD1-CA 3.46Å; D272-T416 PolarHBondContact OD2-OG1 3.32Å
273	D	94.4	Very high	93.9	Very high	18 Å²	18	39.3 Å²	39.3	10%	0.096	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	131.5	179.5	-75.8	-13.6	0	0	0	111.4	L263 P265 R270 L301	L263-D273 HydrophobicContact CD1-CB 4.26Å; P265-D273 VanDerWaalsContact CB-OD1 3.27Å; P265-D273 WeakPolarHBondContact CB-OD1 3.46Å; R270-D273 WeakPolarHBondContact O-CB 3.21Å; R270-D273 PolarHBondContact O-N 3.3Å; R270-D273 VanDerWaalsContact O-N 3.08Å; D273-L301 HydrophobicContact CB-CB 4.32Å; D273-L301 HydrophobicContact CB-CD2 4.39Å; D273-L301 PolarHBondContact O-N 3.07Å
274	K	96.4	Very high	93	Very high	11 Å²	11	38.1 Å²	38.1	5%	0.048	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.4	-179.2	-67.4	-176.6	-169.4	64.9	0	111.7	I264 D266 D272 Y276 R298 I299 C412	I264-K274 PolarHBondContact N-O 3.34Å; I264-K274 VanDerWaalsContact O-O 3.11Å; D266-K274 VanDerWaalsContact OD2-CD 3.27Å; D266-K274 WeakPolarHBondContact OD2-CD 3.41Å; D266-K274 WeakPolarHBondContact OD2-CE 3.46Å; D266-K274 IonicContact OD2-NZ 2.68Å; D266-K274 PolarHBondContact OD2-NZ 3.44Å; D272-K274 PolarHBondContact O-N 3.28Å; D272-K274 PolarHBondContact O-NZ 3Å; D272-K274 VanDerWaalsContact O-NZ 3.07Å; K274-Y276 HydrophobicContact CB-CD2 4.38Å; K274-Y276 HydrophobicContact CB-CE2 3.78Å; K274-R298 HydrophobicContact CD-CG 4.46Å; K274-I299 CarbonylContact C-O 3.52Å; K274-I299 VanDerWaalsContact CA-O 3.23Å; K274-I299 WeakPolarHBondContact CA-O 3.14Å; K274-I299 WeakPolarHBondContact CB-O 3.48Å; K274-C412 WeakPolarHBondContact CE-SG 3.4Å
275	L	98.1	Very high	92	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.3	171.3	-178.2	60.2	0	0	0	109	A212 I214 Y219 E262 L263 F277 R298 I299	A212-L275 HydrophobicContact CB-CD1 4.13Å; I214-L275 HydrophobicContact CD1-CD1 3.91Å; I214-L275 HydrophobicContact CD1-CD2 4.28Å; Y219-L275 HydrophobicContact CD1-CD2 3.5Å; Y219-L275 VanDerWaalsContact CD1-CD2 3.5Å; Y219-L275 HydrophobicContact CD2-CD2 4.06Å; Y219-L275 HydrophobicContact CE1-CD2 4.33Å; Y219-L275 HydrophobicContact CG-CD2 3.33Å; E262-L275 VanDerWaalsContact C-CD1 3.45Å; E262-L275 WeakPolarHBondContact O-CD1 3.02Å; L263-L275 HydrophobicContact CB-CD1 4.45Å; L275-F277 HydrophobicContact CD2-CE2 3.55Å; L275-F277 HydrophobicContact CD2-CZ 3.79Å; L275-F277 HydrophobicContact CG-CD2 4.31Å; L275-F277 HydrophobicContact CG-CE2 3.7Å; L275-F277 HydrophobicContact CG-CZ 4.28Å; L275-R298 VanDerWaalsContact O-CA 3.31Å; L275-R298 WeakPolarHBondContact O-CA 3.34Å; L275-I299 HydrophobicContact CB-CD1 4.38Å; L275-I299 HydrophobicContact CB-CG1 3.89Å; L275-I299 HydrophobicContact CD2-CD1 4.32Å; L275-I299 PolarHBondContact N-O 2.93Å; L275-I299 PolarHBondContact O-N 2.85Å
276	Y	98.6	Very high	90.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.7	179.3	-71.8	-99.4	0	0	0	110.6	A261 E262 I264 D266 K274 I296 G297 R298 M376 I379 F383	A261-Y276 VanDerWaalsContact CA-O 3.22Å; A261-Y276 WeakPolarHBondContact CA-O 3.26Å; E262-Y276 PolarHBondContact N-O 3.35Å; E262-Y276 PolarHBondContact O-N 2.85Å; I264-Y276 HydrophobicContact CB-CD2 3.77Å; I264-Y276 HydrophobicContact CB-CE2 3.83Å; I264-Y276 HydrophobicContact CD1-CD2 4.08Å; I264-Y276 HydrophobicContact CD1-CG 4.38Å; I264-Y276 HydrophobicContact CG1-CD2 4.1Å; D266-Y276 PolarHBondContact OD1-OH 2.77Å; K274-Y276 HydrophobicContact CB-CD2 4.38Å; K274-Y276 HydrophobicContact CB-CE2 3.78Å; Y276-I296 HydrophobicContact CD1-CD1 3.69Å; Y276-I296 HydrophobicContact CD1-CG1 3.9Å; Y276-I296 HydrophobicContact CE1-CD1 4.26Å; Y276-G297 CarbonylContact C-O 3.51Å; Y276-G297 VanDerWaalsContact CA-O 3.26Å; Y276-G297 WeakPolarHBondContact CA-O 3.49Å; Y276-R298 HydrophobicContact CD1-CB 3.81Å; Y276-R298 HydrophobicContact CE1-CB 3.75Å; Y276-R298 HydrophobicContact CG-CB 4.31Å; Y276-M376 HydrophobicContact CE1-CE 4.09Å; Y276-M376 HydrophobicContact CE2-CE 4.08Å; Y276-I379 HydrophobicContact CE1-CG2 4.02Å; Y276-F383 HydrophobicContact CE1-CD2 4.45Å; Y276-F383 AromaticContact CE1-CE2 3.91Å; Y276-F383 HydrophobicContact CE1-CE2 3.91Å
277	F	98.8	Very high	89.7	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.3	174.5	-76.4	-93.1	0	0	0	109.9	I233 A261 L275 F279 I296 G297 I299	I233-F277 HydrophobicContact CD1-CB 4.14Å; I233-F277 HydrophobicContact CD1-CD1 4.34Å; I233-F277 HydrophobicContact CD1-CD2 4.1Å; I233-F277 HydrophobicContact CD1-CG 3.93Å; I233-F277 HydrophobicContact CG1-CD1 4.34Å; I233-F277 HydrophobicContact CG1-CG 4.41Å; I233-F277 HydrophobicContact CG2-CD1 4.46Å; I233-F277 HydrophobicContact CG2-CD2 4.05Å; I233-F277 HydrophobicContact CG2-CE1 3.97Å; I233-F277 HydrophobicContact CG2-CE2 3.5Å; I233-F277 HydrophobicContact CG2-CG 4.49Å; I233-F277 HydrophobicContact CG2-CZ 3.46Å; I233-F277 VanDerWaalsContact CG2-CZ 3.46Å; A261-F277 HydrophobicContact CB-CD1 3.82Å; A261-F277 HydrophobicContact CB-CE1 3.71Å; A261-F277 HydrophobicContact CB-CG 4.44Å; A261-F277 HydrophobicContact CB-CZ 4.25Å; L275-F277 HydrophobicContact CD2-CE2 3.55Å; L275-F277 HydrophobicContact CD2-CZ 3.79Å; L275-F277 HydrophobicContact CG-CD2 4.31Å; L275-F277 HydrophobicContact CG-CE2 3.7Å; L275-F277 HydrophobicContact CG-CZ 4.28Å; F277-F279 HydrophobicContact CB-CD1 4.23Å; F277-F279 HydrophobicContact CB-CE1 4.5Å; F277-I296 CarbonylContact O-C 3.46Å; F277-I296 WeakPolarHBondContact O-CA 3.36Å; F277-G297 PolarHBondContact N-O 2.86Å; F277-G297 PolarHBondContact O-N 2.92Å; F277-I299 HydrophobicContact CE2-CD1 4Å; F277-I299 HydrophobicContact CE2-CG1 4.46Å
278	F	98.8	Very high	88.4	Confident	1 Å²	1	52 Å²	52	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.5	174.8	-61.1	-96.6	0	0	0	108.8	I259 H260 I296 L322 L339 V342 I355	I259-F278 PolarHBondContact N-O 3.35Å; H260-F278 HydrophobicContact CB-CB 4.19Å; H260-F278 HydrophobicContact CB-CD2 4.11Å; H260-F278 HydrophobicContact CB-CG 4.49Å; H260-F278 PolarHBondContact N-O 2.65Å; H260-F278 PolarHBondContact O-N 3.06Å; F278-I296 HydrophobicContact CD1-CB 4.39Å; F278-I296 HydrophobicContact CD1-CD1 4.34Å; F278-I296 HydrophobicContact CD1-CG1 4.19Å; F278-I296 HydrophobicContact CE1-CB 4.34Å; F278-I296 HydrophobicContact CE1-CD1 3.52Å; F278-I296 HydrophobicContact CE1-CG1 3.85Å; F278-I296 HydrophobicContact CZ-CD1 3.67Å; F278-I296 HydrophobicContact CZ-CG1 4.15Å; F278-L322 HydrophobicContact CD1-CD1 3.94Å; F278-L322 HydrophobicContact CE1-CD1 4.33Å; F278-L339 HydrophobicContact CB-CD2 4.09Å; F278-V342 HydrophobicContact CB-CG2 3.82Å; F278-V342 HydrophobicContact CD1-CG1 4.18Å; F278-V342 HydrophobicContact CD1-CG2 3.97Å; F278-V342 HydrophobicContact CD2-CG1 4.24Å; F278-V342 HydrophobicContact CE1-CG1 4.25Å; F278-V342 HydrophobicContact CE2-CG1 4.32Å; F278-V342 HydrophobicContact CG-CB 4.44Å; F278-V342 HydrophobicContact CG-CG1 4.17Å; F278-V342 HydrophobicContact CG-CG2 3.92Å; F278-V342 HydrophobicContact CZ-CG1 4.32Å; F278-I355 HydrophobicContact CE1-CD1 4.27Å; F278-I355 HydrophobicContact CE1-CG2 3.98Å; F278-I355 HydrophobicContact CZ-CD1 3.86Å; F278-I355 HydrophobicContact CZ-CG1 4.42Å; F278-I355 HydrophobicContact CZ-CG2 4.21Å
279	F	98.7	Very high	87.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	164.5	-175.7	59.8	-83.3	0	0	0	110.4	L253 P256 S257 F258 F277 E281 R295 F317 K319	L253-F279 HydrophobicContact CD2-CD2 4.29Å; L253-F279 HydrophobicContact CD2-CE2 3.63Å; L253-F279 HydrophobicContact CD2-CZ 3.76Å; P256-F279 HydrophobicContact CB-CD2 3.97Å; S257-F279 CarbonylContact O-C 3.49Å; S257-F279 WeakPolarHBondContact O-CA 3.32Å; S257-F279 WeakPolarHBondContact O-CB 3.41Å; F258-F279 HydrophobicContact CD1-CB 3.92Å; F258-F279 HydrophobicContact CD1-CG 4.38Å; F277-F279 HydrophobicContact CB-CD1 4.23Å; F277-F279 HydrophobicContact CB-CE1 4.5Å; F279-E281 HydrophobicContact CD2-CB 4.26Å; F279-E281 HydrophobicContact CE2-CB 4.34Å; F279-E281 HydrophobicContact CE2-CG 4.24Å; F279-R295 HydrophobicContact CD1-CB 4.23Å; F279-R295 HydrophobicContact CD2-CB 3.9Å; F279-R295 HydrophobicContact CD2-CG 4.22Å; F279-R295 HydrophobicContact CE1-CB 3.94Å; F279-R295 HydrophobicContact CE2-CB 3.59Å; F279-R295 HydrophobicContact CE2-CG 3.76Å; F279-R295 HydrophobicContact CG-CB 4.21Å; F279-R295 HydrophobicContact CZ-CB 3.61Å; F279-R295 HydrophobicContact CZ-CG 4.14Å; F279-R295 PolarHBondContact N-O 2.83Å; F279-R295 VanDerWaalsContact N-O 3.1Å; F279-R295 WeakPolarHBondContact O-CA 3.39Å; F279-R295 PolarHBondContact O-N 2.91Å; F279-R295 VanDerWaalsContact O-O 3.14Å; F279-F317 HydrophobicContact CZ-CZ 4.41Å; F279-K319 HydrophobicContact CZ-CB 4.33Å; F279-K319 HydrophobicContact CZ-CD 4.1Å
280	R	97.3	Very high	86.4	Confident	41 Å²	41	53 Å²	53	16%	0.155	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145.7	166.3	64	-175.1	-175.6	-83.7	-13.7	109	D208 P256 S257 I259 V292 Y293 E338 L339	D208-R280 IonicContact OD2-NH2 3.75Å; P256-R280 CarbonylContact C-O 3.55Å; P256-R280 VanDerWaalsContact CA-O 3.22Å; P256-R280 WeakPolarHBondContact CA-O 3.27Å; S257-R280 PolarHBondContact N-O 2.83Å; S257-R280 PolarHBondContact O-N 2.72Å; S257-R280 PolarHBondContact OG-NH1 3.19Å; S257-R280 PolarHBondContact OG-NH2 3.05Å; I259-R280 HydrophobicContact CD1-CG 4.26Å; R280-V292 HydrophobicContact CB-CG1 3.94Å; R280-V292 HydrophobicContact CG-CG1 4.22Å; R280-Y293 WeakPolarHBondContact CA-O 3.37Å; R280-E338 WeakPolarHBondContact CD-OE2 3.39Å; R280-E338 IonicContact NE-OE2 3.77Å; R280-E338 PolarHBondContact NE-OE2 3.25Å; R280-L339 HydrophobicContact CB-CB 4.43Å; R280-L339 WeakPolarHBondContact CD-O 3.29Å; R280-L339 PolarHBondContact NH1-O 3.04Å
281	E	95.8	Very high	86	Confident	3 Å²	3	44.5 Å²	44.5	1%	0.014	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	165.3	-177.1	70.7	175.5	169.6	0	0	110.6	N254 P256 F279 S283 V292 Y293 R295 K319	N254-E281 PolarHBondContact N-OE2 3.28Å; N254-E281 VanDerWaalsContact N-OE2 3.09Å; N254-E281 WeakPolarHBondContact O-CB 3.29Å; P256-E281 HydrophobicContact CB-CB 4.23Å; F279-E281 HydrophobicContact CD2-CB 4.26Å; F279-E281 HydrophobicContact CE2-CB 4.34Å; F279-E281 HydrophobicContact CE2-CG 4.24Å; E281-S283 PolarHBondContact O-N 2.65Å; E281-V292 CarbonylContact O-C 3.51Å; E281-V292 WeakPolarHBondContact O-CA 3.46Å; E281-Y293 PolarHBondContact N-O 2.81Å; E281-Y293 PolarHBondContact O-N 3.44Å; E281-R295 HydrophobicContact CG-CG 3.88Å; E281-R295 WeakPolarHBondContact OE1-CG 3.28Å; E281-R295 IonicContact OE1-CZ 2.62Å; E281-R295 IonicContact OE1-NE 3.93Å; E281-R295 PolarHBondContact OE1-NE 2.93Å; E281-R295 IonicContact OE1-NH2 2.61Å; E281-K319 VanDerWaalsContact OE1-CE 3.31Å; E281-K319 WeakPolarHBondContact OE1-CE 3.05Å; E281-K319 IonicContact OE1-NZ 3.91Å; E281-K319 PolarHBondContact OE1-NZ 2.95Å; E281-K319 IonicContact OE2-NZ 3.05Å; E281-K319 PolarHBondContact OE2-NZ 3.4Å
282	R	92.7	Very high	86	Confident	142 Å²	142	42.9 Å²	42.9	54%	0.536	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.2	171.6	-66.6	-174.7	-161.9	-158.7	5.9	110.7	N254 D255 A284	N254-R282 WeakPolarHBondContact ND2-CB 3.47Å; N254-R282 PolarHBondContact ND2-O 3.27Å; N254-R282 PolarHBondContact O-N 2.75Å; D255-R282 HydrophobicContact CB-CG 4.16Å; D255-R282 IonicContact OD2-CZ 3.19Å; D255-R282 IonicContact OD2-NE 3Å; D255-R282 PolarHBondContact OD2-NE 2.82Å; D255-R282 IonicContact OD2-NH2 3.87Å; D255-R282 PolarHBondContact OD2-NH2 2.94Å; R282-A284 PolarHBondContact O-N 2.88Å
283	S	87	Confident	86.1	Confident	12 Å²	12	44 Å²	44	8%	0.084	24%	0.241	C	C	.	.			trans	-67.4	124.2	-178.7	-176.3	0	0	0	0	112.1	E281 E285 A286 A291 Y293	E281-S283 PolarHBondContact O-N 2.65Å; S283-E285 VanDerWaalsContact C-N 3.25Å; S283-E285 WeakPolarHBondContact OG-CB 3.21Å; S283-E285 PolarHBondContact OG-N 2.7Å; S283-A286 PolarHBondContact OG-N 3.37Å; S283-A291 VanDerWaalsContact CB-O 3.23Å; S283-A291 WeakPolarHBondContact CB-O 3.1Å; S283-A291 PolarHBondContact N-O 2.71Å; S283-Y293 WeakPolarHBondContact OG-CD2 3.42Å; S283-Y293 WeakPolarHBondContact OG-CE2 3.22Å
284	A	78.6	Confident	86.3	Confident	30 Å²	30	43.1 Å²	43.1	25%	0.248	24%	0.237	C	C	.	.	S	Bend	trans	-82.5	-7.4	164.1	0	0	0	0	0	112.4	R282 W397	R282-A284 PolarHBondContact O-N 2.88Å; A284-W397 HydrophobicContact CB-CZ2 4.34Å; A284-W397 PolarHBondContact O-NE1 3.35Å
285	E	76	Confident	86.4	Confident	51 Å²	51	42.7 Å²	42.7	24%	0.238	24%	0.235	C	C	.	.	S	Bend	trans	-84.5	-29.6	-176.3	-66.3	168.7	-105.6	0	0	113.3	S283 P287 Y293 R295 W397 L440	S283-E285 VanDerWaalsContact C-N 3.25Å; S283-E285 WeakPolarHBondContact OG-CB 3.21Å; S283-E285 PolarHBondContact OG-N 2.7Å; E285-P287 VanDerWaalsContact C-CD 3.45Å; E285-P287 VanDerWaalsContact O-CD 3.27Å; E285-P287 WeakPolarHBondContact O-CD 3.38Å; E285-Y293 HydrophobicContact CB-CE2 4.32Å; E285-R295 IonicContact OE1-CZ 3.1Å; E285-R295 IonicContact OE1-NH1 3.36Å; E285-R295 PolarHBondContact OE1-NH1 2.04Å; E285-R295 IonicContact OE1-NH2 3.16Å; E285-R295 PolarHBondContact OE1-NH2 2.99Å; E285-W397 VanDerWaalsContact CA-NE1 3.32Å; E285-W397 HydrophobicContact CG-CD2 4.35Å; E285-W397 HydrophobicContact CG-CG 4.45Å; E285-W397 HydrophobicContact CG-CZ2 4.39Å; E285-L440 HydrophobicContact CG-CD2 3.75Å; E285-L440 WeakPolarHBondContact OE1-CD2 3.27Å
286	A	69.7	Low	86.4	Confident	25 Å²	25	42.7 Å²	42.7	21%	0.207	24%	0.235	C	C	.	.			trans	-118.1	68.2	-180	0	0	0	0	0	111.3	S283 Q288 S289 A291	S283-A286 PolarHBondContact OG-N 3.37Å; A286-Q288 PolarHBondContact O-N 2.82Å; A286-S289 CarbonylContact O-C 3.52Å; A286-S289 PolarHBondContact O-N 2.91Å; A286-A291 HydrophobicContact CB-CB 4.39Å
287	P	61.6	Low	86.4	Confident	109 Å²	109	42.7 Å²	42.7	71%	0.708	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.6	-173.6	24.7	-33.6	0	0	0	114.5	E285	E285-P287 VanDerWaalsContact C-CD 3.45Å; E285-P287 VanDerWaalsContact O-CD 3.27Å; E285-P287 WeakPolarHBondContact O-CD 3.38Å
288	Q	61.1	Low	86.3	Confident	199 Å²	199	43 Å²	43	93%	0.93	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.1	178.4	-63.8	-178.3	-3.8	0	0	113.4	A286	A286-Q288 PolarHBondContact O-N 2.82Å
289	S	64.1	Low	86.3	Confident	67 Å²	67	43 Å²	43	47%	0.469	24%	0.236	S	C	.	.	S	Bend	trans	-134.5	130.7	177.8	178	0	0	0	0	109.2	A286 A291	A286-S289 CarbonylContact O-C 3.52Å; A286-S289 PolarHBondContact O-N 2.91Å; S289-A291 PolarHBondContact O-N 2.83Å
290	P	70.3	Confident	86.2	Confident	135 Å²	135	43 Å²	43	88%	0.877	24%	0.236	S	C	*	.			trans	-72.4	64	175.1	32	-35	0	0	0	110.7
291	A	83.9	Confident	86.1	Confident	18 Å²	18	42 Å²	42	15%	0.149	23%	0.234	C	C	.	.			trans	-83	133.9	-179.6	0	0	0	0	0	110.2	S283 A286 S289 Y293	S283-A291 VanDerWaalsContact CB-O 3.23Å; S283-A291 WeakPolarHBondContact CB-O 3.1Å; S283-A291 PolarHBondContact N-O 2.71Å; A286-A291 HydrophobicContact CB-CB 4.39Å; S289-A291 PolarHBondContact O-N 2.83Å; A291-Y293 HydrophobicContact CB-CE1 4Å
292	V	92	Very high	86	Confident	31 Å²	31	43.9 Å²	43.9	19%	0.188	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	137.5	166.5	174.7	0	0	0	0	107.2	R280 E281 D337 E338	R280-V292 HydrophobicContact CB-CG1 3.94Å; R280-V292 HydrophobicContact CG-CG1 4.22Å; E281-V292 CarbonylContact O-C 3.51Å; E281-V292 WeakPolarHBondContact O-CA 3.46Å; V292-D337 WeakPolarHBondContact O-CB 3.42Å; V292-E338 WeakPolarHBondContact CB-OE1 3.29Å
293	Y	94.7	Very high	86.2	Confident	31 Å²	31	37.1 Å²	37.1	12%	0.122	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.6	173.6	-69.9	-25.1	0	0	0	111.3	R280 E281 S283 E285 A291 R321 D337	R280-Y293 WeakPolarHBondContact CA-O 3.37Å; E281-Y293 PolarHBondContact N-O 2.81Å; E281-Y293 PolarHBondContact O-N 3.44Å; S283-Y293 WeakPolarHBondContact OG-CD2 3.42Å; S283-Y293 WeakPolarHBondContact OG-CE2 3.22Å; E285-Y293 HydrophobicContact CB-CE2 4.32Å; A291-Y293 HydrophobicContact CB-CE1 4Å; Y293-R321 VanDerWaalsContact CE1-NH2 3.3Å; Y293-D337 HydrophobicContact CD1-CB 4.23Å
294	A	97.8	Very high	86.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.9	166.9	0	0	0	0	0	111.3	L322 D337 L339 F359	A294-L322 HydrophobicContact CB-CB 4.07Å; A294-L322 PolarHBondContact O-N 3.32Å; A294-D337 PolarHBondContact N-O 2.85Å; A294-L339 HydrophobicContact CB-CB 3.77Å; A294-F359 HydrophobicContact CB-CD1 4.21Å; A294-F359 HydrophobicContact CB-CE1 3.53Å
295	R	98.1	Very high	87.4	Confident	2 Å²	2	37 Å²	37	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.7	-175	-60.4	-61.9	-167.5	-170.5	-5.1	111.3	F279 E281 E285 A320	F279-R295 HydrophobicContact CD1-CB 4.23Å; F279-R295 HydrophobicContact CD2-CB 3.9Å; F279-R295 HydrophobicContact CD2-CG 4.22Å; F279-R295 HydrophobicContact CE1-CB 3.94Å; F279-R295 HydrophobicContact CE2-CB 3.59Å; F279-R295 HydrophobicContact CE2-CG 3.76Å; F279-R295 HydrophobicContact CG-CB 4.21Å; F279-R295 HydrophobicContact CZ-CB 3.61Å; F279-R295 HydrophobicContact CZ-CG 4.14Å; F279-R295 PolarHBondContact N-O 2.83Å; F279-R295 VanDerWaalsContact N-O 3.1Å; F279-R295 WeakPolarHBondContact O-CA 3.39Å; F279-R295 PolarHBondContact O-N 2.91Å; F279-R295 VanDerWaalsContact O-O 3.14Å; E281-R295 HydrophobicContact CG-CG 3.88Å; E281-R295 WeakPolarHBondContact OE1-CG 3.28Å; E281-R295 IonicContact OE1-CZ 2.62Å; E281-R295 IonicContact OE1-NE 3.93Å; E281-R295 PolarHBondContact OE1-NE 2.93Å; E281-R295 IonicContact OE1-NH2 2.61Å; E285-R295 IonicContact OE1-CZ 3.1Å; E285-R295 IonicContact OE1-NH1 3.36Å; E285-R295 PolarHBondContact OE1-NH1 2.04Å; E285-R295 IonicContact OE1-NH2 3.16Å; E285-R295 PolarHBondContact OE1-NH2 2.99Å; R295-A320 VanDerWaalsContact CA-O 3.31Å; R295-A320 WeakPolarHBondContact CA-O 3.21Å; R295-A320 WeakPolarHBondContact CD-O 3.38Å
296	I	98.7	Very high	88.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.9	159.3	-172.3	172.8	0	0	0	107.9	Y276 F277 F278 K319 A320 L322 I379 F383 V445	Y276-I296 HydrophobicContact CD1-CD1 3.69Å; Y276-I296 HydrophobicContact CD1-CG1 3.9Å; Y276-I296 HydrophobicContact CE1-CD1 4.26Å; F277-I296 CarbonylContact O-C 3.46Å; F277-I296 WeakPolarHBondContact O-CA 3.36Å; F278-I296 HydrophobicContact CD1-CB 4.39Å; F278-I296 HydrophobicContact CD1-CD1 4.34Å; F278-I296 HydrophobicContact CD1-CG1 4.19Å; F278-I296 HydrophobicContact CE1-CB 4.34Å; F278-I296 HydrophobicContact CE1-CD1 3.52Å; F278-I296 HydrophobicContact CE1-CG1 3.85Å; F278-I296 HydrophobicContact CZ-CD1 3.67Å; F278-I296 HydrophobicContact CZ-CG1 4.15Å; I296-K319 CarbonylContact O-C 3.53Å; I296-K319 VanDerWaalsContact O-CA 3.24Å; I296-K319 WeakPolarHBondContact O-CA 3.44Å; I296-A320 HydrophobicContact CG2-CB 4.2Å; I296-A320 PolarHBondContact N-O 3.27Å; I296-A320 PolarHBondContact O-N 3.38Å; I296-L322 HydrophobicContact CB-CD1 3.97Å; I296-L322 HydrophobicContact CB-CD2 4.44Å; I296-L322 HydrophobicContact CB-CG 4.08Å; I296-L322 HydrophobicContact CG2-CD1 4.49Å; I296-L322 HydrophobicContact CG2-CD2 4.18Å; I296-L322 HydrophobicContact CG2-CG 4.04Å; I296-I379 HydrophobicContact CD1-CD1 3.83Å; I296-I379 HydrophobicContact CD1-CG1 4.3Å; I296-I379 HydrophobicContact CD1-CG2 3.86Å; I296-F383 HydrophobicContact CG2-CE2 4.16Å; I296-F383 HydrophobicContact CG2-CZ 4.11Å; I296-F383 WeakPolarHBondContact O-CZ 3.42Å; I296-V445 HydrophobicContact CG2-CG2 4.39Å
297	G	98.3	Very high	89.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	154.2	172.7	0	0	0	0	0	111	Y276 F277 L318	Y276-G297 CarbonylContact C-O 3.51Å; Y276-G297 VanDerWaalsContact CA-O 3.26Å; Y276-G297 WeakPolarHBondContact CA-O 3.49Å; F277-G297 PolarHBondContact N-O 2.86Å; F277-G297 PolarHBondContact O-N 2.92Å; G297-L318 CarbonylContact C-O 3.54Å; G297-L318 WeakPolarHBondContact CA-O 3.41Å
298	R	97.9	Very high	90.5	Very high	6 Å²	6	38.9 Å²	38.9	2%	0.023	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149	172.8	73.2	-178.2	-169.4	170.2	0.1	111.8	D266 K274 L275 Y276 F317 L318 F383	D266-R298 IonicContact OD2-NH1 2.79Å; D266-R298 PolarHBondContact OD2-NH1 2.95Å; K274-R298 HydrophobicContact CD-CG 4.46Å; L275-R298 VanDerWaalsContact O-CA 3.31Å; L275-R298 WeakPolarHBondContact O-CA 3.34Å; Y276-R298 HydrophobicContact CD1-CB 3.81Å; Y276-R298 HydrophobicContact CE1-CB 3.75Å; Y276-R298 HydrophobicContact CG-CB 4.31Å; R298-F317 WeakPolarHBondContact O-CA 3.12Å; R298-L318 HydrophobicContact CG-CB 4.44Å; R298-L318 PolarHBondContact N-O 2.97Å; R298-L318 PolarHBondContact O-N 3.25Å; R298-L318 VanDerWaalsContact O-N 3.09Å; R298-F383 HydrophobicContact CB-CZ 4.28Å; R298-F383 HydrophobicContact CG-CD1 4.22Å; R298-F383 HydrophobicContact CG-CE1 3.91Å; R298-F383 HydrophobicContact CG-CE2 4.25Å; R298-F383 HydrophobicContact CG-CZ 3.92Å
299	I	97.8	Very high	91.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149	172.1	57.7	178.6	0	0	0	109.8	Y219 K274 L275 F277 W314 F317	Y219-I299 HydrophobicContact CD1-CD1 3.93Å; Y219-I299 HydrophobicContact CE1-CD1 4.23Å; K274-I299 CarbonylContact C-O 3.52Å; K274-I299 VanDerWaalsContact CA-O 3.23Å; K274-I299 WeakPolarHBondContact CA-O 3.14Å; K274-I299 WeakPolarHBondContact CB-O 3.48Å; L275-I299 HydrophobicContact CB-CD1 4.38Å; L275-I299 HydrophobicContact CB-CG1 3.89Å; L275-I299 HydrophobicContact CD2-CD1 4.32Å; L275-I299 PolarHBondContact N-O 2.93Å; L275-I299 PolarHBondContact O-N 2.85Å; F277-I299 HydrophobicContact CE2-CD1 4Å; F277-I299 HydrophobicContact CE2-CG1 4.46Å; I299-W314 HydrophobicContact CB-CE3 4.39Å; I299-W314 HydrophobicContact CD1-CD2 4.23Å; I299-W314 HydrophobicContact CD1-CE3 4.22Å; I299-W314 HydrophobicContact CD1-CH2 3.74Å; I299-W314 HydrophobicContact CD1-CZ2 3.71Å; I299-W314 HydrophobicContact CD1-CZ3 4Å; I299-W314 HydrophobicContact CG2-CD2 4.15Å; I299-W314 HydrophobicContact CG2-CE3 4.42Å; I299-W314 HydrophobicContact CG2-CG 4.18Å; I299-F317 HydrophobicContact CG2-CB 3.94Å; I299-F317 HydrophobicContact CG2-CD2 3.72Å; I299-F317 HydrophobicContact CG2-CG 4.33Å
300	C	96.7	Very high	93.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.5	168.1	-66.9	0	0	0	0	109.8	N302 D303 T316 C412	C300-N302 VanDerWaalsContact C-N 3.26Å; C300-N302 PolarHBondContact O-N 2.86Å; C300-D303 HydrophobicContact CB-CB 4.39Å; C300-D303 WeakPolarHBondContact O-CB 3.44Å; C300-D303 PolarHBondContact O-N 2.99Å; C300-T316 HydrophobicContact CB-CG2 4.01Å; C300-T316 PolarHBondContact N-OG1 2.81Å; C300-C412 HydrophobicContact CB-CB 3.69Å; C300-C412 WeakPolarHBondContact CB-SG 3.38Å; C300-C412 WeakPolarHBondContact SG-CA 3.49Å; C300-C412 WeakPolarHBondContact SG-CB 3.31Å; C300-C412 PolarHBondContact SG-N 3.21Å; C300-C412 VanDerWaalsContact SG-N 3.41Å; C300-C412 CovalentContact SG-SG 2.04Å; C300-C412 PolarHBondContact SG-SG 3.26Å
301	L	95.1	Very high	94.5	Very high	20 Å²	20	25.6 Å²	25.6	11%	0.105	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-34.3	-176.4	-166.5	69.9	0	0	0	111.9	I214 Y219 L263 D273	I214-L301 HydrophobicContact CD1-CD1 4.1Å; I214-L301 HydrophobicContact CG2-CD1 4.18Å; I214-L301 HydrophobicContact CG2-CD2 4Å; Y219-L301 HydrophobicContact CE1-CD1 4.05Å; Y219-L301 HydrophobicContact CE2-CD1 3.83Å; Y219-L301 VanDerWaalsContact CZ-CD1 3.49Å; Y219-L301 WeakPolarHBondContact OH-CD1 3.28Å; Y219-L301 PolarHBondContact OH-O 3.22Å; L263-L301 HydrophobicContact CD1-CD2 4.29Å; D273-L301 HydrophobicContact CB-CB 4.32Å; D273-L301 HydrophobicContact CB-CD2 4.39Å; D273-L301 PolarHBondContact O-N 3.07Å
302	N	94.6	Very high	95	Very high	41 Å²	41	27.9 Å²	27.9	22%	0.219	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	23.4	-179.7	64.9	-13.2	0	0	0	114.1	N271 C300 P413	N271-N302 PolarHBondContact O-ND2 3.49Å; C300-N302 VanDerWaalsContact C-N 3.26Å; C300-N302 PolarHBondContact O-N 2.86Å; N302-P413 PolarHBondContact ND2-O 2.89Å; N302-P413 WeakPolarHBondContact OD1-CD 3.47Å
303	D	96	Very high	95.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.			trans	-71.6	127.7	175	-171.2	-18.5	0	0	0	110.6	R235 M243 C300 G305 W314 S315 T316 T424	R235-D303 PolarHBondContact NH1-O 3.04Å; R235-D303 PolarHBondContact NH2-O 3.04Å; M243-D303 HydrophobicContact CE-CB 4.45Å; C300-D303 HydrophobicContact CB-CB 4.39Å; C300-D303 WeakPolarHBondContact O-CB 3.44Å; C300-D303 PolarHBondContact O-N 2.99Å; D303-G305 WeakPolarHBondContact OD1-CA 3.35Å; D303-G305 PolarHBondContact OD1-N 3Å; D303-W314 HydrophobicContact CB-CE3 3.88Å; D303-W314 HydrophobicContact CB-CZ3 3.99Å; D303-S315 VanDerWaalsContact CG-OG 3.32Å; D303-S315 PolarHBondContact OD1-N 2.8Å; D303-S315 PolarHBondContact OD1-OG 2.82Å; D303-S315 PolarHBondContact OD2-N 3.28Å; D303-S315 PolarHBondContact OD2-OG 2.77Å; D303-T316 HydrophobicContact CB-CG2 4.38Å; D303-T316 WeakPolarHBondContact OD2-CB 3.26Å; D303-T316 WeakPolarHBondContact OD2-CG2 3.2Å; D303-T316 PolarHBondContact OD2-N 2.81Å; D303-T316 PolarHBondContact OD2-OG1 2.87Å; D303-T424 HydrophobicContact CB-CG2 4.43Å; D303-T424 PolarHBondContact OD1-OG1 3.02Å
304	D	95.1	Very high	95.4	Very high	40 Å²	40	27.7 Å²	27.7	21%	0.214	15%	0.151	C	C	.	.			trans	-109	6.8	-179.7	-69.6	-41.7	0	0	0	112.5	Q240 S423 T424 K425	Q240-D304 PolarHBondContact NE2-OD1 3.5Å; Q240-D304 PolarHBondContact OE1-OD1 3.05Å; D304-S423 WeakPolarHBondContact CB-OG 3.49Å; D304-S423 PolarHBondContact OD2-OG 3.07Å; D304-T424 PolarHBondContact N-OG1 2.89Å; D304-K425 HydrophobicContact CB-CD 4.48Å; D304-K425 HydrophobicContact CB-CG 4.42Å; D304-K425 WeakPolarHBondContact O-CE 3.31Å
305	G	95.5	Very high	95.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.			trans	73.7	-175.3	-170.3	0	0	0	0	0	113	D303 K313 T424 K425	D303-G305 WeakPolarHBondContact OD1-CA 3.35Å; D303-G305 PolarHBondContact OD1-N 3Å; G305-K313 WeakPolarHBondContact CA-O 3.2Å; G305-T424 PolarHBondContact N-OG1 2.78Å; G305-T424 CarbonylContact O-C 3.53Å; G305-T424 WeakPolarHBondContact O-CB 3.31Å; G305-T424 PolarHBondContact O-OG1 2.6Å; G305-K425 PolarHBondContact O-N 2.87Å
306	G	94.1	Very high	95.3	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.021	15%	0.152	C	C	.	.			trans	-88.6	164	177.4	0	0	0	0	0	113.1	C309 L310	G306-C309 CarbonylContact C-O 3.56Å; G306-C309 VanDerWaalsContact C-O 3.32Å; G306-C309 WeakPolarHBondContact CA-O 3.41Å; G306-L310 PolarHBondContact N-O 3.06Å; G306-L310 VanDerWaalsContact N-O 3.14Å
307	H	91.3	Very high	95.3	Very high	134 Å²	134	27.8 Å²	27.8	62%	0.62	15%	0.152	S	C	*	.	S	Bend	trans	-74.5	-54.3	-177.4	-173.2	69.4	0	0	0	112.9	V311 K425	H307-V311 WeakPolarHBondContact O-CG2 3.1Å; H307-K425 HydrophobicContact CB-CB 4.37Å
308	C	88.2	Confident	95.3	Very high	88 Å²	88	27.8 Å²	27.8	60%	0.595	15%	0.152	S	C	*	.	S	Bend	trans	-106.6	-43.8	178.1	-64.7	0	0	0	0	112.5
309	C	89.5	Confident	95.3	Very high	39 Å²	39	27.7 Å²	27.7	26%	0.264	15%	0.152	S	C	.	.	S	Bend	trans	-96.6	153	173.5	-68.9	0	0	0	0	110.3	G306 V311 I432	G306-C309 CarbonylContact C-O 3.56Å; G306-C309 VanDerWaalsContact C-O 3.32Å; G306-C309 WeakPolarHBondContact CA-O 3.41Å; C309-V311 PolarHBondContact O-N 3.19Å; C309-I432 HydrophobicContact CB-CG2 3.69Å
310	L	93.9	Very high	95.4	Very high	10 Å²	10	27.7 Å²	27.7	5%	0.052	15%	0.152	C	C	.	.	S	Bend	trans	53.8	35.7	-178.9	-60.5	-176.9	0	0	0	114.1	D246 W252 G306 N312 K313 I432 R436	D246-L310 HydrophobicContact CB-CD2 4.5Å; W252-L310 HydrophobicContact CH2-CD1 4.15Å; W252-L310 HydrophobicContact CH2-CD2 4.14Å; W252-L310 HydrophobicContact CZ2-CD1 4.1Å; W252-L310 HydrophobicContact CZ2-CD2 4.02Å; G306-L310 PolarHBondContact N-O 3.06Å; G306-L310 VanDerWaalsContact N-O 3.14Å; L310-N312 PolarHBondContact O-N 3.24Å; L310-K313 HydrophobicContact CB-CB 4.03Å; L310-K313 HydrophobicContact CD2-CB 4.07Å; L310-K313 HydrophobicContact CD2-CD 3.93Å; L310-K313 PolarHBondContact O-N 2.96Å; L310-K313 VanDerWaalsContact O-O 3.06Å; L310-I432 HydrophobicContact CB-CG2 4.12Å; L310-I432 HydrophobicContact CD1-CG2 3.97Å; L310-I432 HydrophobicContact CG-CG2 4.03Å; L310-R436 HydrophobicContact CD1-CB 4.1Å; L310-R436 HydrophobicContact CD2-CB 4.28Å; L310-R436 HydrophobicContact CD2-CG 3.99Å; L310-R436 HydrophobicContact CG-CB 4.38Å
311	V	95.1	Very high	95.4	Very high	74 Å²	74	29.5 Å²	29.5	45%	0.448	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	129	172.3	-177.4	0	0	0	0	109.4	H307 C309 K313	H307-V311 WeakPolarHBondContact O-CG2 3.1Å; C309-V311 PolarHBondContact O-N 3.19Å; V311-K313 PolarHBondContact O-N 3.47Å
312	N	94.9	Very high	95.5	Very high	66 Å²	66	28.7 Å²	28.7	35%	0.353	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	27.8	-174.1	-57.7	-41.3	0	0	0	113.4	T241 M243 R244 L310	T241-N312 WeakPolarHBondContact CB-OD1 3.29Å; T241-N312 PolarHBondContact OG1-OD1 3.37Å; M243-N312 WeakPolarHBondContact CA-O 3.22Å; M243-N312 VanDerWaalsContact SD-C 3.56Å; R244-N312 PolarHBondContact N-O 3.36Å; R244-N312 VanDerWaalsContact N-O 3.16Å; L310-N312 PolarHBondContact O-N 3.24Å
313	K	97.3	Very high	95.7	Very high	57 Å²	57	26.8 Å²	26.8	25%	0.248	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-129.4	147.5	175.3	-64.3	171.7	-178.4	176.4	0	110.1	M243 R244 D246 G305 L310 V311 S315	M243-K313 VanDerWaalsContact CE-C 3.46Å; M243-K313 WeakPolarHBondContact CE-O 3.23Å; R244-K313 HydrophobicContact CG-CG 4.45Å; R244-K313 WeakPolarHBondContact O-CA 3.27Å; R244-K313 WeakPolarHBondContact O-CB 3.45Å; D246-K313 HydrophobicContact CB-CD 4.36Å; D246-K313 WeakPolarHBondContact OD1-CD 3.44Å; D246-K313 WeakPolarHBondContact OD1-CE 3.32Å; D246-K313 IonicContact OD1-NZ 2.96Å; D246-K313 PolarHBondContact OD1-NZ 2.87Å; G305-K313 WeakPolarHBondContact CA-O 3.2Å; L310-K313 HydrophobicContact CB-CB 4.03Å; L310-K313 HydrophobicContact CD2-CB 4.07Å; L310-K313 HydrophobicContact CD2-CD 3.93Å; L310-K313 PolarHBondContact O-N 2.96Å; L310-K313 VanDerWaalsContact O-O 3.06Å; V311-K313 PolarHBondContact O-N 3.47Å; K313-S315 PolarHBondContact O-N 3.35Å
314	W	97.7	Very high	95.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.			trans	-55.1	126.1	179.4	-58.7	114.4	0	0	0	111.3	Y219 I233 R235 M243 R244 W252 I299 D303 F317	Y219-W314 HydrophobicContact CD1-CH2 4.07Å; Y219-W314 HydrophobicContact CD1-CZ2 4.33Å; Y219-W314 AromaticContact CE1-CH2 3.74Å; Y219-W314 HydrophobicContact CE1-CH2 3.74Å; Y219-W314 HydrophobicContact CE1-CZ2 4.44Å; I233-W314 PolarHBondContact O-NE1 3.01Å; R235-W314 HydrophobicContact CB-CH2 3.45Å; R235-W314 VanDerWaalsContact CB-CH2 3.45Å; R235-W314 HydrophobicContact CB-CZ2 3.58Å; R235-W314 HydrophobicContact CG-CH2 4.35Å; M243-W314 HydrophobicContact CB-CD2 4.32Å; M243-W314 HydrophobicContact CB-CE3 4.41Å; M243-W314 HydrophobicContact CB-CH2 3.89Å; M243-W314 HydrophobicContact CB-CZ2 3.81Å; M243-W314 HydrophobicContact CB-CZ3 4.19Å; M243-W314 HydrophobicContact CE-CD2 3.93Å; M243-W314 HydrophobicContact CE-CE3 3.39Å; M243-W314 HydrophobicContact CE-CG 4.48Å; M243-W314 HydrophobicContact CE-CZ3 3.75Å; M243-W314 HydrophobicContact CG-CH2 4.41Å; M243-W314 HydrophobicContact CG-CZ3 4.38Å; R244-W314 PolarHBondContact O-N 2.92Å; R244-W314 VanDerWaalsContact O-N 3.12Å; W252-W314 WeakPolarHBondContact CH2-O 3.44Å; W252-W314 HydrophobicContact CZ3-CB 4.1Å; I299-W314 HydrophobicContact CB-CE3 4.39Å; I299-W314 HydrophobicContact CD1-CD2 4.23Å; I299-W314 HydrophobicContact CD1-CE3 4.22Å; I299-W314 HydrophobicContact CD1-CH2 3.74Å; I299-W314 HydrophobicContact CD1-CZ2 3.71Å; I299-W314 HydrophobicContact CD1-CZ3 4Å; I299-W314 HydrophobicContact CG2-CD2 4.15Å; I299-W314 HydrophobicContact CG2-CE3 4.42Å; I299-W314 HydrophobicContact CG2-CG 4.18Å; D303-W314 HydrophobicContact CB-CE3 3.88Å; D303-W314 HydrophobicContact CB-CZ3 3.99Å; W314-F317 HydrophobicContact CB-CB 3.82Å
315	S	96.7	Very high	95.7	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	13%	0.134	C	C	.	.	S	Bend	trans	-98.7	-4.6	175.1	66.5	0	0	0	0	112.6	D303 K313 T424 M435	D303-S315 VanDerWaalsContact CG-OG 3.32Å; D303-S315 PolarHBondContact OD1-N 2.8Å; D303-S315 PolarHBondContact OD1-OG 2.82Å; D303-S315 PolarHBondContact OD2-N 3.28Å; D303-S315 PolarHBondContact OD2-OG 2.77Å; K313-S315 PolarHBondContact O-N 3.35Å; S315-T424 WeakPolarHBondContact OG-CB 3.34Å; S315-T424 VanDerWaalsContact OG-CG2 3.24Å; S315-T424 WeakPolarHBondContact OG-CG2 3.45Å; S315-T424 PolarHBondContact OG-OG1 2.96Å; S315-M435 WeakPolarHBondContact O-CE 3.41Å; S315-M435 VanDerWaalsContact O-CG 3.23Å; S315-M435 WeakPolarHBondContact O-CG 3.4Å
316	T	97.4	Very high	95.6	Very high	2 Å²	2	27 Å²	27	1%	0.012	15%	0.147	C	C	.	.	S	Bend	trans	-120.2	3.2	-176.5	62.4	0	0	0	0	114.2	C300 D303 L318 T424 M435	C300-T316 HydrophobicContact CB-CG2 4.01Å; C300-T316 PolarHBondContact N-OG1 2.81Å; D303-T316 HydrophobicContact CB-CG2 4.38Å; D303-T316 WeakPolarHBondContact OD2-CB 3.26Å; D303-T316 WeakPolarHBondContact OD2-CG2 3.2Å; D303-T316 PolarHBondContact OD2-N 2.81Å; D303-T316 PolarHBondContact OD2-OG1 2.87Å; T316-L318 PolarHBondContact O-N 2.94Å; T316-T424 HydrophobicContact CG2-CG2 3.96Å; T316-M435 VanDerWaalsContact C-CE 3.41Å
317	F	98.3	Very high	95.3	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	16%	0.156	C	C	.	.			trans	-65.9	119.9	-177.4	176.8	-103.8	0	0	0	112.8	I233 W252 L253 F279 R298 I299 W314 K319 M435 P439	I233-F317 HydrophobicContact CD1-CD2 4.38Å; I233-F317 HydrophobicContact CD1-CE2 3.65Å; I233-F317 HydrophobicContact CD1-CZ 4.29Å; W252-F317 HydrophobicContact CB-CE1 4.4Å; W252-F317 HydrophobicContact CD2-CD1 4.14Å; W252-F317 HydrophobicContact CE3-CB 4.32Å; W252-F317 AromaticContact CE3-CD1 3.63Å; W252-F317 HydrophobicContact CE3-CD1 3.63Å; W252-F317 HydrophobicContact CE3-CE1 4.32Å; W252-F317 HydrophobicContact CE3-CG 4.22Å; W252-F317 HydrophobicContact CZ3-CB 4.07Å; W252-F317 HydrophobicContact CZ3-CD1 4.25Å; W252-F317 HydrophobicContact CZ3-CG 4.45Å; L253-F317 HydrophobicContact CD2-CZ 4.3Å; F279-F317 HydrophobicContact CZ-CZ 4.41Å; R298-F317 WeakPolarHBondContact O-CA 3.12Å; I299-F317 HydrophobicContact CG2-CB 3.94Å; I299-F317 HydrophobicContact CG2-CD2 3.72Å; I299-F317 HydrophobicContact CG2-CG 4.33Å; W314-F317 HydrophobicContact CB-CB 3.82Å; F317-K319 HydrophobicContact CE1-CD 4.48Å; F317-K319 HydrophobicContact CZ-CB 4.28Å; F317-K319 HydrophobicContact CZ-CD 4.48Å; F317-M435 WeakPolarHBondContact O-CE 3.43Å; F317-P439 HydrophobicContact CD1-CB 4.17Å; F317-P439 HydrophobicContact CE1-CB 4.38Å
318	L	98.5	Very high	95	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.8	172.1	-64.3	-179.2	0	0	0	110.9	G297 R298 T316 F383 F387 M435 P439 M441	G297-L318 CarbonylContact C-O 3.54Å; G297-L318 WeakPolarHBondContact CA-O 3.41Å; R298-L318 HydrophobicContact CG-CB 4.44Å; R298-L318 PolarHBondContact N-O 2.97Å; R298-L318 PolarHBondContact O-N 3.25Å; R298-L318 VanDerWaalsContact O-N 3.09Å; T316-L318 PolarHBondContact O-N 2.94Å; L318-F383 HydrophobicContact CB-CD1 3.93Å; L318-F383 HydrophobicContact CB-CE1 3.84Å; L318-F383 HydrophobicContact CD1-CD1 4.44Å; L318-F387 HydrophobicContact CD1-CE1 3.97Å; L318-F387 HydrophobicContact CD1-CZ 4.37Å; L318-F387 HydrophobicContact CD2-CD1 4.31Å; L318-F387 HydrophobicContact CD2-CE1 3.59Å; L318-F387 HydrophobicContact CG-CE1 4.45Å; L318-M435 HydrophobicContact CD2-CE 3.57Å; L318-M435 HydrophobicContact CD2-SD 3.87Å; L318-M435 HydrophobicContact CG-CE 4.01Å; L318-M435 HydrophobicContact CG-SD 4.5Å; L318-P439 CarbonylContact C-O 3.55Å; L318-P439 VanDerWaalsContact CA-O 3.31Å; L318-P439 WeakPolarHBondContact CA-O 3.47Å; L318-M441 HydrophobicContact CD1-SD 4.1Å; L318-M441 HydrophobicContact CD2-SD 4.48Å
319	K	98.3	Very high	94.8	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.022	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.4	173.1	69	-179.8	179.4	-175.1	0	112.9	R251 W252 F279 E281 I296 F317 P439 L440 M441	R251-K319 WeakPolarHBondContact O-CE 3.49Å; R251-K319 PolarHBondContact O-NZ 2.89Å; W252-K319 WeakPolarHBondContact O-CE 3.39Å; W252-K319 PolarHBondContact O-NZ 2.81Å; F279-K319 HydrophobicContact CZ-CB 4.33Å; F279-K319 HydrophobicContact CZ-CD 4.1Å; E281-K319 VanDerWaalsContact OE1-CE 3.31Å; E281-K319 WeakPolarHBondContact OE1-CE 3.05Å; E281-K319 IonicContact OE1-NZ 3.91Å; E281-K319 PolarHBondContact OE1-NZ 2.95Å; E281-K319 IonicContact OE2-NZ 3.05Å; E281-K319 PolarHBondContact OE2-NZ 3.4Å; I296-K319 CarbonylContact O-C 3.53Å; I296-K319 VanDerWaalsContact O-CA 3.24Å; I296-K319 WeakPolarHBondContact O-CA 3.44Å; F317-K319 HydrophobicContact CE1-CD 4.48Å; F317-K319 HydrophobicContact CZ-CB 4.28Å; F317-K319 HydrophobicContact CZ-CD 4.48Å; K319-P439 PolarHBondContact N-O 3.29Å; K319-L440 HydrophobicContact CG-CD1 4.11Å; K319-L440 CarbonylContact O-C 3.55Å; K319-L440 WeakPolarHBondContact O-CA 3.49Å; K319-M441 WeakPolarHBondContact O-CG 3.41Å; K319-M441 PolarHBondContact O-N 2.58Å
320	A	98.3	Very high	94.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.3	175	0	0	0	0	0	110.7	R295 I296 V382 F383 M441 V445	R295-A320 VanDerWaalsContact CA-O 3.31Å; R295-A320 WeakPolarHBondContact CA-O 3.21Å; R295-A320 WeakPolarHBondContact CD-O 3.38Å; I296-A320 HydrophobicContact CG2-CB 4.2Å; I296-A320 PolarHBondContact N-O 3.27Å; I296-A320 PolarHBondContact O-N 3.38Å; A320-V382 HydrophobicContact CB-CG1 3.7Å; A320-F383 HydrophobicContact CB-CE1 4.28Å; A320-F383 HydrophobicContact CB-CZ 4.34Å; A320-M441 HydrophobicContact CB-CB 4.01Å; A320-M441 HydrophobicContact CB-CG 4.06Å; A320-V445 HydrophobicContact CB-CG2 4.24Å
321	R	97.6	Very high	94	Very high	40 Å²	40	37 Å²	37	15%	0.151	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.8	172.5	-171.2	177.1	177.3	-169.9	-3.6	110	Y293 V323 D337 A444 V445	Y293-R321 VanDerWaalsContact CE1-NH2 3.3Å; R321-V323 HydrophobicContact CG-CG2 4.05Å; R321-D337 IonicContact CZ-OD1 3.42Å; R321-D337 IonicContact NE-OD1 3.33Å; R321-D337 IonicContact NH2-OD1 3.26Å; R321-D337 PolarHBondContact NH2-OD1 3.41Å; R321-A444 HydrophobicContact CB-CB 4.01Å; R321-A444 HydrophobicContact CG-CB 4.47Å; R321-V445 PolarHBondContact O-N 3.03Å
322	L	97.9	Very high	93.6	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-93.9	122.2	162.8	-75.3	168.8	0	0	0	108.1	F278 A294 I296 F359 Y374 V445	F278-L322 HydrophobicContact CD1-CD1 3.94Å; F278-L322 HydrophobicContact CE1-CD1 4.33Å; A294-L322 HydrophobicContact CB-CB 4.07Å; A294-L322 PolarHBondContact O-N 3.32Å; I296-L322 HydrophobicContact CB-CD1 3.97Å; I296-L322 HydrophobicContact CB-CD2 4.44Å; I296-L322 HydrophobicContact CB-CG 4.08Å; I296-L322 HydrophobicContact CG2-CD1 4.49Å; I296-L322 HydrophobicContact CG2-CD2 4.18Å; I296-L322 HydrophobicContact CG2-CG 4.04Å; L322-F359 HydrophobicContact CB-CZ 4.47Å; L322-Y374 HydrophobicContact CD2-CD1 3.93Å; L322-Y374 HydrophobicContact CD2-CD2 4.4Å; L322-Y374 HydrophobicContact CD2-CE1 3.81Å; L322-Y374 HydrophobicContact CD2-CE2 4.31Å; L322-Y374 HydrophobicContact CD2-CG 4.21Å; L322-V445 HydrophobicContact CD2-CB 3.95Å; L322-V445 HydrophobicContact CD2-CG1 4Å
323	V	97.3	Very high	93.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-103.9	127.3	178.7	172.4	0	0	0	0	109	R321 S325 Y374 A444 V445 Y446 P447	R321-V323 HydrophobicContact CG-CG2 4.05Å; V323-S325 WeakPolarHBondContact CG1-OG 3.39Å; V323-Y374 PolarHBondContact O-OH 3.28Å; V323-A444 HydrophobicContact CG2-CB 3.62Å; V323-V445 PolarHBondContact N-O 2.98Å; V323-Y446 HydrophobicContact CB-CD1 4.23Å; V323-Y446 HydrophobicContact CB-CE1 4.18Å; V323-Y446 HydrophobicContact CG1-CD1 3.92Å; V323-Y446 HydrophobicContact CG1-CE1 3.6Å; V323-P447 VanDerWaalsContact O-CD 3.29Å; V323-P447 WeakPolarHBondContact O-CD 3.2Å
324	C	97.3	Very high	93	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.226	C	C	.	.			trans	-124.6	110.2	165.2	-170.2	0	0	0	0	107.9	F336 F359 C372	C324-F336 HydrophobicContact CB-CB 4.5Å; C324-F336 PolarHBondContact O-N 3.3Å; C324-F359 HydrophobicContact CB-CB 4.28Å; C324-F359 HydrophobicContact CB-CD1 3.99Å; C324-F359 HydrophobicContact CB-CD2 3.55Å; C324-F359 HydrophobicContact CB-CE1 4.16Å; C324-F359 HydrophobicContact CB-CE2 3.79Å; C324-F359 HydrophobicContact CB-CG 3.68Å; C324-F359 HydrophobicContact CB-CZ 4.1Å; C324-C372 WeakPolarHBondContact CA-SG 3.2Å; C324-C372 HydrophobicContact CB-CB 3.84Å; C324-C372 WeakPolarHBondContact CB-SG 3.39Å; C324-C372 WeakPolarHBondContact SG-CB 3.4Å; C324-C372 CovalentContact SG-SG 2.04Å; C324-C372 PolarHBondContact SG-SG 3.49Å
325	S	94.8	Very high	92.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	152	-174.1	56.1	0	0	0	0	112.6	V323 E333 T334 H335 P452	V323-S325 WeakPolarHBondContact CG1-OG 3.39Å; S325-E333 WeakPolarHBondContact CB-OE2 3.45Å; S325-E333 PolarHBondContact OG-OE2 2.96Å; S325-T334 CarbonylContact C-O 3.58Å; S325-T334 WeakPolarHBondContact CA-O 3.39Å; S325-T334 WeakPolarHBondContact CB-O 3.31Å; S325-H335 WeakPolarHBondContact CB-ND1 3.31Å; S325-P452 VanDerWaalsContact O-CD 3.31Å; S325-P452 WeakPolarHBondContact O-CD 3.45Å
326	V	92.3	Very high	92.6	Very high	46 Å²	46	42.4 Å²	42.4	28%	0.279	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118	170.3	177.9	0	0	0	0	108	G328 E333 T334 F336 P452 V455	V326-G328 PolarHBondContact O-N 2.87Å; V326-E333 WeakPolarHBondContact O-CA 3.34Å; V326-T334 PolarHBondContact N-O 3.42Å; V326-T334 PolarHBondContact O-N 3.16Å; V326-F336 HydrophobicContact CG2-CE2 4.02Å; V326-P452 HydrophobicContact CG2-CG 3.77Å; V326-V455 HydrophobicContact CG2-CG2 4Å
327	P	89.1	Confident	92.4	Very high	32 Å²	32	43.2 Å²	43.2	21%	0.208	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.1	176.3	30.4	-33.3	0	0	0	110	E333 R451	P327-E333 HydrophobicContact CB-CG 4.25Å; P327-R451 HydrophobicContact CG-CG 4.13Å; P327-R451 VanDerWaalsContact CG-CZ 3.4Å
328	G	85.1	Confident	92.3	Very high	37 Å²	37	45 Å²	45	38%	0.381	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-78.9	166.7	172.8	0	0	0	0	0	112.7	V326 D330 G331 I332	V326-G328 PolarHBondContact O-N 2.87Å; G328-D330 VanDerWaalsContact C-N 3.28Å; G328-D330 PolarHBondContact O-N 3.47Å; G328-G331 PolarHBondContact O-N 3.32Å; G328-I332 WeakPolarHBondContact CA-O 3.28Å; G328-I332 PolarHBondContact N-O 3.06Å
329	E	83.8	Confident	92.3	Very high	204 Å²	204	45 Å²	45	95%	0.953	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-34.6	179.8	-62.9	-174.6	167.2	0	0	112.4	G331	E329-G331 PolarHBondContact O-N 3.23Å; E329-G331 VanDerWaalsContact O-N 3.17Å
330	D	84.6	Confident	92.3	Very high	151 Å²	151	47.6 Å²	47.6	81%	0.807	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	3.3	175.7	-58.9	-38.3	0	0	0	113.4	G328 I332	G328-D330 VanDerWaalsContact C-N 3.28Å; G328-D330 PolarHBondContact O-N 3.47Å; D330-I332 PolarHBondContact O-N 3Å
331	G	81.3	Confident	92.3	Very high	59 Å²	59	49 Å²	49	61%	0.608	27%	0.272	S	S	*	.	S	Bend	trans	77.7	-1.8	-175.1	0	0	0	0	0	114.6	G328 E329	G328-G331 PolarHBondContact O-N 3.32Å; E329-G331 PolarHBondContact O-N 3.23Å; E329-G331 VanDerWaalsContact O-N 3.17Å
332	I	86.3	Confident	92.3	Very high	125 Å²	125	47.3 Å²	47.3	64%	0.641	27%	0.266	S	S	*	.			trans	-77.8	126.1	174.1	-59.7	176	0	0	0	109.2	G328 D330	G328-I332 WeakPolarHBondContact CA-O 3.28Å; G328-I332 PolarHBondContact N-O 3.06Å; D330-I332 PolarHBondContact O-N 3Å
333	E	88.9	Confident	92.3	Very high	54 Å²	54	49.1 Å²	49.1	25%	0.252	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	131.8	178	-69.8	-173.4	-168.7	0	0	111.5	S325 V326 P327 H335	S325-E333 WeakPolarHBondContact CB-OE2 3.45Å; S325-E333 PolarHBondContact OG-OE2 2.96Å; V326-E333 WeakPolarHBondContact O-CA 3.34Å; P327-E333 HydrophobicContact CB-CG 4.25Å; E333-H335 PolarHBondContact O-CD2 2.82Å; E333-H335 IonicContact OE2-CE1 3.92Å; E333-H335 PolarHBondContact OE2-CE1 2.69Å
334	T	90.4	Very high	92.4	Very high	65 Å²	65	50 Å²	50	40%	0.399	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	111.9	169.1	-60.3	0	0	0	0	109.1	S325 V326 F366	S325-T334 CarbonylContact C-O 3.58Å; S325-T334 WeakPolarHBondContact CA-O 3.39Å; S325-T334 WeakPolarHBondContact CB-O 3.31Å; V326-T334 PolarHBondContact N-O 3.42Å; V326-T334 PolarHBondContact O-N 3.16Å; T334-F366 HydrophobicContact CG2-CE1 4.18Å; T334-F366 HydrophobicContact CG2-CZ 4.39Å
335	H	92	Very high	92.3	Very high	64 Å²	64	51.7 Å²	51.7	30%	0.296	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	144.4	-174.1	-64.2	-80.1	0	0	0	113.8	S325 E333 D337	S325-H335 WeakPolarHBondContact CB-ND1 3.31Å; E333-H335 PolarHBondContact O-CD2 2.82Å; E333-H335 IonicContact OE2-CE1 3.92Å; E333-H335 PolarHBondContact OE2-CE1 2.69Å; H335-D337 WeakPolarHBondContact CB-OD2 3.15Å
336	F	95.1	Very high	92.3	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.009	30%	0.304	C	S	.	.			trans	-116	88.4	168.1	-57.4	-100.8	0	0	0	107.4	C324 V326 F359 T360 F366 A370 V455	C324-F336 HydrophobicContact CB-CB 4.5Å; C324-F336 PolarHBondContact O-N 3.3Å; V326-F336 HydrophobicContact CG2-CE2 4.02Å; F336-F359 HydrophobicContact CB-CB 3.56Å; F336-F359 WeakPolarHBondContact O-CB 3.38Å; F336-F359 WeakPolarHBondContact O-CD1 3.36Å; F336-T360 CarbonylContact C-O 3.44Å; F336-T360 WeakPolarHBondContact CA-O 3.16Å; F336-F366 AromaticContact CE1-CE1 3.96Å; F336-F366 HydrophobicContact CE1-CE1 3.96Å; F336-F366 HydrophobicContact CZ-CE1 4.11Å; F336-F366 HydrophobicContact CZ-CZ 4.42Å; F336-A370 HydrophobicContact CB-CB 4.33Å; F336-A370 HydrophobicContact CD1-CB 3.86Å; F336-A370 HydrophobicContact CD2-CB 3.81Å; F336-A370 HydrophobicContact CE1-CB 4.04Å; F336-A370 HydrophobicContact CE2-CB 4.03Å; F336-A370 HydrophobicContact CG-CB 3.74Å; F336-A370 HydrophobicContact CZ-CB 4.13Å; F336-V455 HydrophobicContact CZ-CG1 4.04Å
337	D	93.3	Very high	92.3	Very high	19 Å²	19	55.9 Å²	55.9	10%	0.102	31%	0.308	C	S	.	.			trans	-92.7	-11	-170.1	-62.9	-65.7	0	0	0	114.2	V292 Y293 A294 R321 H335 L339 T360	V292-D337 WeakPolarHBondContact O-CB 3.42Å; Y293-D337 HydrophobicContact CD1-CB 4.23Å; A294-D337 PolarHBondContact N-O 2.85Å; R321-D337 IonicContact CZ-OD1 3.42Å; R321-D337 IonicContact NE-OD1 3.33Å; R321-D337 IonicContact NH2-OD1 3.26Å; R321-D337 PolarHBondContact NH2-OD1 3.41Å; H335-D337 WeakPolarHBondContact CB-OD2 3.15Å; D337-L339 PolarHBondContact O-N 3.14Å; D337-T360 PolarHBondContact N-O 2.83Å
338	E	95.6	Very high	92.4	Very high	39 Å²	39	64 Å²	64	18%	0.182	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	89	-179.2	-66.5	-74.6	164	0	0	111.3	R280 V292 Q340 F359 T360	R280-E338 WeakPolarHBondContact CD-OE2 3.39Å; R280-E338 IonicContact NE-OE2 3.77Å; R280-E338 PolarHBondContact NE-OE2 3.25Å; V292-E338 WeakPolarHBondContact CB-OE1 3.29Å; E338-Q340 PolarHBondContact O-N 2.8Å; E338-Q340 PolarHBondContact O-NE2 2.75Å; E338-F359 CarbonylContact O-C 3.48Å; E338-F359 WeakPolarHBondContact O-CA 3.47Å; E338-T360 WeakPolarHBondContact CB-O 3.44Å; E338-T360 WeakPolarHBondContact CB-OG1 3.44Å; E338-T360 PolarHBondContact N-O 3.43Å; E338-T360 VanDerWaalsContact N-O 3.1Å; E338-T360 PolarHBondContact O-N 2.96Å; E338-T360 PolarHBondContact O-OG1 2.99Å
339	L	98.3	Very high	92.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	123.1	174.6	178.3	64.7	0	0	0	111.6	I259 F278 R280 A294 D337 V342 A357 F359	I259-L339 HydrophobicContact CB-CD2 4.47Å; I259-L339 HydrophobicContact CD1-CB 4.48Å; I259-L339 HydrophobicContact CD1-CD2 4.14Å; I259-L339 HydrophobicContact CD1-CG 4.21Å; I259-L339 HydrophobicContact CG1-CD2 4.41Å; I259-L339 HydrophobicContact CG1-CG 4.25Å; F278-L339 HydrophobicContact CB-CD2 4.09Å; R280-L339 HydrophobicContact CB-CB 4.43Å; R280-L339 WeakPolarHBondContact CD-O 3.29Å; R280-L339 PolarHBondContact NH1-O 3.04Å; A294-L339 HydrophobicContact CB-CB 3.77Å; D337-L339 PolarHBondContact O-N 3.14Å; L339-V342 HydrophobicContact CD1-CG2 3.88Å; L339-V342 HydrophobicContact CD2-CG2 4.08Å; L339-V342 HydrophobicContact CG-CG2 4.36Å; L339-A357 HydrophobicContact CD1-CB 3.76Å; L339-F359 HydrophobicContact CB-CD1 4.2Å; L339-F359 HydrophobicContact CB-CE1 4.07Å; L339-F359 HydrophobicContact CD1-CD1 4.29Å; L339-F359 HydrophobicContact CD1-CE1 3.84Å; L339-F359 HydrophobicContact CD1-CE2 4.18Å; L339-F359 HydrophobicContact CD1-CZ 3.76Å
340	Q	97.9	Very high	93.2	Very high	59 Å²	59	58.7 Å²	58.7	28%	0.276	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-45.8	-178.6	-60.1	-54.6	-60	0	0	113.3	E338 V358 T360	E338-Q340 PolarHBondContact O-N 2.8Å; E338-Q340 PolarHBondContact O-NE2 2.75Å; Q340-V358 HydrophobicContact CB-CB 4.29Å; Q340-V358 HydrophobicContact CB-CG1 4.12Å; Q340-V358 HydrophobicContact CG-CG1 4.46Å; Q340-V358 PolarHBondContact N-O 2.69Å; Q340-T360 HydrophobicContact CG-CG2 3.73Å; Q340-T360 PolarHBondContact NE2-OG1 3.08Å; Q340-T360 VanDerWaalsContact NE2-OG1 3.17Å
341	D	98.6	Very high	93.6	Very high	29 Å²	29	55.8 Å²	55.8	16%	0.155	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	156.2	-174.9	-169.3	25.1	0	0	0	111.3	A357 V358 T464 T465 V466	D341-A357 VanDerWaalsContact O-CA 3.29Å; D341-A357 WeakPolarHBondContact O-CA 3.48Å; D341-V358 HydrophobicContact CB-CB 4.43Å; D341-V358 HydrophobicContact CB-CG2 4.48Å; D341-V358 PolarHBondContact O-N 2.98Å; D341-T464 WeakPolarHBondContact CB-O 3.49Å; D341-T465 WeakPolarHBondContact OD2-CA 3.42Å; D341-T465 WeakPolarHBondContact OD2-CB 3.44Å; D341-V466 PolarHBondContact OD2-N 3.31Å
342	V	98.7	Very high	94.3	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.03	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	129.4	179.5	178.9	0	0	0	0	109.8	I259 H260 F278 L339 V344 I355 Y356 A357	I259-V342 HydrophobicContact CG2-CG2 4.12Å; H260-V342 HydrophobicContact CB-CB 3.87Å; H260-V342 HydrophobicContact CB-CG1 4.45Å; H260-V342 HydrophobicContact CB-CG2 4.43Å; F278-V342 HydrophobicContact CB-CG2 3.82Å; F278-V342 HydrophobicContact CD1-CG1 4.18Å; F278-V342 HydrophobicContact CD1-CG2 3.97Å; F278-V342 HydrophobicContact CD2-CG1 4.24Å; F278-V342 HydrophobicContact CE1-CG1 4.25Å; F278-V342 HydrophobicContact CE2-CG1 4.32Å; F278-V342 HydrophobicContact CG-CB 4.44Å; F278-V342 HydrophobicContact CG-CG1 4.17Å; F278-V342 HydrophobicContact CG-CG2 3.92Å; F278-V342 HydrophobicContact CZ-CG1 4.32Å; L339-V342 HydrophobicContact CD1-CG2 3.88Å; L339-V342 HydrophobicContact CD2-CG2 4.08Å; L339-V342 HydrophobicContact CG-CG2 4.36Å; V342-V344 HydrophobicContact CG1-CG2 4.28Å; V342-I355 HydrophobicContact CG1-CG2 3.78Å; V342-Y356 CarbonylContact C-O 3.54Å; V342-Y356 WeakPolarHBondContact CA-O 3.46Å; V342-A357 HydrophobicContact CG2-CB 4.13Å
343	F	98.4	Very high	94.8	Very high	41 Å²	41	50 Å²	50	18%	0.18	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.6	172.7	-175.2	-90.3	0	0	0	110.1	Q345 Y356 V466 A467 V468 I525	F343-Q345 HydrophobicContact CD1-CB 4.4Å; F343-Q345 HydrophobicContact CE1-CB 4.17Å; F343-Y356 HydrophobicContact CD1-CD2 4.48Å; F343-Y356 PolarHBondContact N-O 2.95Å; F343-Y356 PolarHBondContact O-N 3.48Å; F343-V466 HydrophobicContact CB-CG1 3.85Å; F343-A467 HydrophobicContact CD2-CB 4.31Å; F343-A467 HydrophobicContact CE2-CB 4.18Å; F343-V468 HydrophobicContact CD1-CB 3.94Å; F343-V468 HydrophobicContact CD1-CG2 3.97Å; F343-V468 HydrophobicContact CE1-CB 3.77Å; F343-V468 HydrophobicContact CE1-CG2 4.32Å; F343-V468 WeakPolarHBondContact CZ-O 3.4Å; F343-I525 HydrophobicContact CE2-CG2 3.83Å; F343-I525 HydrophobicContact CZ-CG2 3.89Å
344	V	97.7	Very high	95.2	Very high	18 Å²	18	49.2 Å²	49.2	11%	0.109	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	105.1	179	-174.5	0	0	0	0	109.2	E262 V342 Q346 P353	E262-V344 HydrophobicContact CB-CG2 4.27Å; E262-V344 HydrophobicContact CG-CB 4.42Å; E262-V344 HydrophobicContact CG-CG1 4.26Å; E262-V344 HydrophobicContact CG-CG2 4.2Å; V342-V344 HydrophobicContact CG1-CG2 4.28Å; V344-Q346 PolarHBondContact O-N 2.9Å; V344-P353 HydrophobicContact CG1-CB 3.55Å; V344-P353 HydrophobicContact CG1-CG 3.95Å
345	Q	96.4	Very high	95.6	Very high	37 Å²	37	46.1 Å²	46.1	17%	0.173	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	108.4	175.8	178.1	59.8	61.3	0	0	109.6	F343 P353 V354 Y356	F343-Q345 HydrophobicContact CD1-CB 4.4Å; F343-Q345 HydrophobicContact CE1-CB 4.17Å; Q345-P353 WeakPolarHBondContact O-CA 3.35Å; Q345-P353 WeakPolarHBondContact O-CB 3.39Å; Q345-V354 HydrophobicContact CB-CB 4.38Å; Q345-V354 PolarHBondContact N-O 2.9Å; Q345-V354 PolarHBondContact O-N 2.82Å; Q345-Y356 HydrophobicContact CB-CD2 4.21Å; Q345-Y356 HydrophobicContact CB-CE2 3.82Å; Q345-Y356 HydrophobicContact CG-CE2 4.48Å
346	Q	94.1	Very high	95.9	Very high	75 Å²	75	43.1 Å²	43.1	35%	0.35	22%	0.216	S	C	.	.			trans	-65.4	135.4	174.8	-62.7	-63	-19.7	0	0	110.4	E262 V344	E262-Q346 PolarHBondContact OE1-NE2 2.91Å; E262-Q346 VanDerWaalsContact OE1-NE2 3.1Å; V344-Q346 PolarHBondContact O-N 2.9Å
347	T	92.8	Very high	96.1	Very high	58 Å²	58	43 Å²	43	36%	0.356	22%	0.215	S	C	.	.			trans	-104.1	-175.9	173.2	72.6	0	0	0	0	110	D349 N352 V354	T347-D349 PolarHBondContact O-N 2.83Å; T347-D349 PolarHBondContact OG1-N 2.85Å; T347-D349 PolarHBondContact OG1-O 3.07Å; T347-N352 WeakPolarHBondContact CG2-O 3.33Å; T347-N352 PolarHBondContact OG1-O 2.79Å; T347-V354 HydrophobicContact CG2-CG2 4.04Å
348	Q	91.2	Very high	96.4	Very high	203 Å²	203	42.1 Å²	42.1	95%	0.949	21%	0.211	S	C	*	.	S	Bend	trans	-62.6	-28.5	172.9	-67.6	-178.4	-3.7	0	0	112.2
349	D	92.8	Very high	96.5	Very high	45 Å²	45	40.3 Å²	40.3	24%	0.241	20%	0.202	C	C	.	.	S	Bend	trans	-101.5	104.8	172.3	-175.6	1.9	0	0	0	109.2	T347 R351 N352	T347-D349 PolarHBondContact O-N 2.83Å; T347-D349 PolarHBondContact OG1-N 2.85Å; T347-D349 PolarHBondContact OG1-O 3.07Å; D349-R351 PolarHBondContact O-N 3.41Å; D349-R351 WeakPolarHBondContact OD1-CB 3.46Å; D349-R351 IonicContact OD1-CZ 2.66Å; D349-R351 PolarHBondContact OD1-N 2.92Å; D349-R351 VanDerWaalsContact OD1-N 3.08Å; D349-R351 IonicContact OD1-NE 2.78Å; D349-R351 PolarHBondContact OD1-NE 2.82Å; D349-R351 IonicContact OD1-NH2 3.41Å; D349-R351 PolarHBondContact OD1-NH2 3.32Å; D349-R351 IonicContact OD2-CZ 3.83Å; D349-R351 IonicContact OD2-NE 3.73Å; D349-R351 PolarHBondContact OD2-NE 2.92Å; D349-R351 IonicContact OD2-NH2 2.74Å; D349-R351 PolarHBondContact OD2-NH2 2.85Å; D349-N352 HydrophobicContact CB-CB 4.45Å; D349-N352 CarbonylContact O-C 3.59Å; D349-N352 WeakPolarHBondContact O-CA 3.17Å; D349-N352 PolarHBondContact O-N 3.33Å; D349-N352 PolarHBondContact OD2-ND2 2.97Å
350	V	92	Very high	96.4	Very high	84 Å²	84	40.8 Å²	40.8	51%	0.509	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.5	179.2	-60.9	0	0	0	0	113.6	N352 P353	V350-N352 VanDerWaalsContact C-N 3.3Å; V350-P353 WeakPolarHBondContact O-CD 3.33Å
351	R	93.8	Very high	96.1	Very high	91 Å²	91	38.5 Å²	38.5	34%	0.343	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-17	173.2	-59.9	167.2	-62.2	176.2	9.5	111.9	P265 D349 R380	P265-R351 HydrophobicContact CB-CG 4.15Å; D349-R351 PolarHBondContact O-N 3.41Å; D349-R351 WeakPolarHBondContact OD1-CB 3.46Å; D349-R351 IonicContact OD1-CZ 2.66Å; D349-R351 PolarHBondContact OD1-N 2.92Å; D349-R351 VanDerWaalsContact OD1-N 3.08Å; D349-R351 IonicContact OD1-NE 2.78Å; D349-R351 PolarHBondContact OD1-NE 2.82Å; D349-R351 IonicContact OD1-NH2 3.41Å; D349-R351 PolarHBondContact OD1-NH2 3.32Å; D349-R351 IonicContact OD2-CZ 3.83Å; D349-R351 IonicContact OD2-NE 3.73Å; D349-R351 PolarHBondContact OD2-NE 2.92Å; D349-R351 IonicContact OD2-NH2 2.74Å; D349-R351 PolarHBondContact OD2-NH2 2.85Å; R351-R380 PolarHBondContact O-NH1 3.17Å; R351-R380 PolarHBondContact O-NH2 2.96Å
352	N	96.1	Very high	95.2	Very high	60 Å²	60	40 Å²	40	32%	0.321	21%	0.208	S	C	.	.	S	Bend	trans	-127.6	61	-176.6	-66.9	-64.9	0	0	0	111.5	T347 D349 V350 R380	T347-N352 WeakPolarHBondContact CG2-O 3.33Å; T347-N352 PolarHBondContact OG1-O 2.79Å; D349-N352 HydrophobicContact CB-CB 4.45Å; D349-N352 CarbonylContact O-C 3.59Å; D349-N352 WeakPolarHBondContact O-CA 3.17Å; D349-N352 PolarHBondContact O-N 3.33Å; D349-N352 PolarHBondContact OD2-ND2 2.97Å; V350-N352 VanDerWaalsContact C-N 3.3Å; N352-R380 PolarHBondContact OD1-NH1 2.82Å
353	P	97.1	Very high	94	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.013	23%	0.225	C	C	.	.			trans	-66.5	159.2	167	30.4	-37	0	0	0	111.5	I264 V344 Q345 V350 M376	I264-P353 HydrophobicContact CD1-CG 3.96Å; I264-P353 HydrophobicContact CG1-CG 4.3Å; I264-P353 HydrophobicContact CG2-CG 3.95Å; V344-P353 HydrophobicContact CG1-CB 3.55Å; V344-P353 HydrophobicContact CG1-CG 3.95Å; Q345-P353 WeakPolarHBondContact O-CA 3.35Å; Q345-P353 WeakPolarHBondContact O-CB 3.39Å; V350-P353 WeakPolarHBondContact O-CD 3.33Å; P353-M376 HydrophobicContact CG-CG 3.75Å; P353-M376 WeakPolarHBondContact O-CG 3.32Å
354	V	97.6	Very high	92.6	Very high	37 Å²	37	44.5 Å²	44.5	22%	0.224	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.6	171.1	-179.7	0	0	0	0	108.4	Q345 T347 Y356 V373	Q345-V354 HydrophobicContact CB-CB 4.38Å; Q345-V354 PolarHBondContact N-O 2.9Å; Q345-V354 PolarHBondContact O-N 2.82Å; T347-V354 HydrophobicContact CG2-CG2 4.04Å; V354-Y356 HydrophobicContact CB-CE2 4.15Å; V354-Y356 HydrophobicContact CG1-CD2 4.22Å; V354-Y356 HydrophobicContact CG1-CE2 3.59Å; V354-V373 HydrophobicContact CG1-CG1 3.32Å
355	I	98.6	Very high	91.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.6	-175.4	-64.7	158.9	0	0	0	109.2	F278 V342 V373 Y374 M376 I379	F278-I355 HydrophobicContact CE1-CD1 4.27Å; F278-I355 HydrophobicContact CE1-CG2 3.98Å; F278-I355 HydrophobicContact CZ-CD1 3.86Å; F278-I355 HydrophobicContact CZ-CG1 4.42Å; F278-I355 HydrophobicContact CZ-CG2 4.21Å; V342-I355 HydrophobicContact CG1-CG2 3.78Å; I355-V373 CarbonylContact O-C 3.58Å; I355-V373 VanDerWaalsContact O-CA 3.32Å; I355-V373 WeakPolarHBondContact O-CA 3.27Å; I355-Y374 HydrophobicContact CG2-CD2 4.47Å; I355-Y374 PolarHBondContact N-O 2.78Å; I355-Y374 PolarHBondContact O-N 2.88Å; I355-M376 HydrophobicContact CD1-CG 4.22Å; I355-M376 HydrophobicContact CD1-SD 3.51Å; I355-M376 VanDerWaalsContact CD1-SD 3.51Å; I355-I379 HydrophobicContact CD1-CD1 3.4Å
356	Y	98.7	Very high	90.5	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.4	171.2	-63.1	-102.6	0	0	0	108.5	V342 F343 Q345 V354 V373 L453 V468 E479 L481	V342-Y356 CarbonylContact C-O 3.54Å; V342-Y356 WeakPolarHBondContact CA-O 3.46Å; F343-Y356 HydrophobicContact CD1-CD2 4.48Å; F343-Y356 PolarHBondContact N-O 2.95Å; F343-Y356 PolarHBondContact O-N 3.48Å; Q345-Y356 HydrophobicContact CB-CD2 4.21Å; Q345-Y356 HydrophobicContact CB-CE2 3.82Å; Q345-Y356 HydrophobicContact CG-CE2 4.48Å; V354-Y356 HydrophobicContact CB-CE2 4.15Å; V354-Y356 HydrophobicContact CG1-CD2 4.22Å; V354-Y356 HydrophobicContact CG1-CE2 3.59Å; Y356-V373 HydrophobicContact CD1-CG1 4.38Å; Y356-V373 HydrophobicContact CD1-CG2 3.55Å; Y356-V373 HydrophobicContact CE1-CG1 4.15Å; Y356-V373 HydrophobicContact CE1-CG2 3.59Å; Y356-V373 HydrophobicContact CG-CG2 4.4Å; Y356-L453 HydrophobicContact CE1-CD2 4.16Å; Y356-V468 HydrophobicContact CD1-CG2 3.83Å; Y356-V468 HydrophobicContact CD2-CG2 3.86Å; Y356-V468 HydrophobicContact CE1-CG1 4.46Å; Y356-V468 HydrophobicContact CE1-CG2 4.09Å; Y356-V468 HydrophobicContact CE2-CB 4.44Å; Y356-V468 HydrophobicContact CE2-CG1 4.3Å; Y356-V468 HydrophobicContact CE2-CG2 4.12Å; Y356-V468 HydrophobicContact CG-CG2 3.72Å; Y356-E479 PolarHBondContact OH-OE1 3.29Å; Y356-E479 PolarHBondContact OH-OE2 3.29Å; Y356-L481 HydrophobicContact CD1-CD2 4.47Å
357	A	98.7	Very high	90.1	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	137.9	180	0	0	0	0	0	111.7	L339 D341 V342 F359 V371 C372 Y374	L339-A357 HydrophobicContact CD1-CB 3.76Å; D341-A357 VanDerWaalsContact O-CA 3.29Å; D341-A357 WeakPolarHBondContact O-CA 3.48Å; V342-A357 HydrophobicContact CG2-CB 4.13Å; A357-F359 HydrophobicContact CB-CD2 4.33Å; A357-F359 HydrophobicContact CB-CE2 3.43Å; A357-F359 VanDerWaalsContact CB-CE2 3.43Å; A357-F359 HydrophobicContact CB-CZ 3.87Å; A357-F359 WeakPolarHBondContact O-CD2 3.26Å; A357-F359 WeakPolarHBondContact O-CE2 3.27Å; A357-V371 WeakPolarHBondContact O-CA 3.21Å; A357-C372 PolarHBondContact N-O 3.06Å; A357-C372 PolarHBondContact O-N 3.35Å; A357-Y374 HydrophobicContact CB-CE2 4.11Å
358	V	98.8	Very high	90	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131	178.5	180	0	0	0	0	109	Q340 D341 A370 V371 L463 V466	Q340-V358 HydrophobicContact CB-CB 4.29Å; Q340-V358 HydrophobicContact CB-CG1 4.12Å; Q340-V358 HydrophobicContact CG-CG1 4.46Å; Q340-V358 PolarHBondContact N-O 2.69Å; D341-V358 HydrophobicContact CB-CB 4.43Å; D341-V358 HydrophobicContact CB-CG2 4.48Å; D341-V358 PolarHBondContact O-N 2.98Å; V358-A370 WeakPolarHBondContact CA-O 3.14Å; V358-V371 HydrophobicContact CG2-CG2 4.37Å; V358-L463 HydrophobicContact CG1-CB 3.63Å; V358-V466 HydrophobicContact CG2-CB 3.58Å; V358-V466 HydrophobicContact CG2-CG1 3.6Å
359	F	98.2	Very high	90.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.6	178.2	-61.3	-100.8	0	0	0	110.6	A294 L322 C324 F336 E338 L339 A357 S369 A370 C372 Y374	A294-F359 HydrophobicContact CB-CD1 4.21Å; A294-F359 HydrophobicContact CB-CE1 3.53Å; L322-F359 HydrophobicContact CB-CZ 4.47Å; C324-F359 HydrophobicContact CB-CB 4.28Å; C324-F359 HydrophobicContact CB-CD1 3.99Å; C324-F359 HydrophobicContact CB-CD2 3.55Å; C324-F359 HydrophobicContact CB-CE1 4.16Å; C324-F359 HydrophobicContact CB-CE2 3.79Å; C324-F359 HydrophobicContact CB-CG 3.68Å; C324-F359 HydrophobicContact CB-CZ 4.1Å; F336-F359 HydrophobicContact CB-CB 3.56Å; F336-F359 WeakPolarHBondContact O-CB 3.38Å; F336-F359 WeakPolarHBondContact O-CD1 3.36Å; E338-F359 CarbonylContact O-C 3.48Å; E338-F359 WeakPolarHBondContact O-CA 3.47Å; L339-F359 HydrophobicContact CB-CD1 4.2Å; L339-F359 HydrophobicContact CB-CE1 4.07Å; L339-F359 HydrophobicContact CD1-CD1 4.29Å; L339-F359 HydrophobicContact CD1-CE1 3.84Å; L339-F359 HydrophobicContact CD1-CE2 4.18Å; L339-F359 HydrophobicContact CD1-CZ 3.76Å; A357-F359 HydrophobicContact CB-CD2 4.33Å; A357-F359 HydrophobicContact CB-CE2 3.43Å; A357-F359 VanDerWaalsContact CB-CE2 3.43Å; A357-F359 HydrophobicContact CB-CZ 3.87Å; A357-F359 WeakPolarHBondContact O-CD2 3.26Å; A357-F359 WeakPolarHBondContact O-CE2 3.27Å; F359-S369 CarbonylContact O-C 3.58Å; F359-S369 VanDerWaalsContact O-CA 3.22Å; F359-S369 WeakPolarHBondContact O-CA 3.38Å; F359-A370 PolarHBondContact N-O 2.91Å; F359-A370 PolarHBondContact O-N 2.83Å; F359-C372 HydrophobicContact CD2-CB 4.23Å; F359-C372 HydrophobicContact CE2-CB 3.88Å; F359-Y374 AromaticContact CE2-CE2 3.94Å; F359-Y374 HydrophobicContact CE2-CE2 3.94Å; F359-Y374 WeakPolarHBondContact CE2-OH 3.33Å; F359-Y374 AromaticContact CZ-CE2 3.99Å; F359-Y374 HydrophobicContact CZ-CE2 3.99Å; F359-Y374 AromaticContact CZ-CZ 3.99Å; F359-Y374 WeakPolarHBondContact CZ-OH 3.37Å
360	T	95.7	Very high	90.5	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	161.1	167.1	56.9	0	0	0	0	110.9	F336 D337 E338 Q340 G368 R462	F336-T360 CarbonylContact C-O 3.44Å; F336-T360 WeakPolarHBondContact CA-O 3.16Å; D337-T360 PolarHBondContact N-O 2.83Å; E338-T360 WeakPolarHBondContact CB-O 3.44Å; E338-T360 WeakPolarHBondContact CB-OG1 3.44Å; E338-T360 PolarHBondContact N-O 3.43Å; E338-T360 VanDerWaalsContact N-O 3.1Å; E338-T360 PolarHBondContact O-N 2.96Å; E338-T360 PolarHBondContact O-OG1 2.99Å; Q340-T360 HydrophobicContact CG-CG2 3.73Å; Q340-T360 PolarHBondContact NE2-OG1 3.08Å; Q340-T360 VanDerWaalsContact NE2-OG1 3.17Å; T360-G368 WeakPolarHBondContact CA-O 3.07Å; T360-R462 HydrophobicContact CG2-CB 4.35Å
361	S	91.8	Very high	90.8	Very high	10 Å²	10	38.1 Å²	38.1	7%	0.07	21%	0.212	C	C	.	.			trans	-71.5	142	172.1	52.8	0	0	0	0	111.8	F366 G368	S361-F366 WeakPolarHBondContact CB-O 3Å; S361-F366 PolarHBondContact OG-O 3.14Å; S361-G368 PolarHBondContact N-O 3.46Å; S361-G368 PolarHBondContact OG-N 3.25Å; S361-G368 PolarHBondContact OG-O 2.84Å
362	S	80.6	Confident	91	Very high	60 Å²	60	33.8 Å²	33.8	42%	0.42	20%	0.195	S	C	.	.	S	Bend	trans	-78.1	-19.1	177.9	-51.7	0	0	0	0	113.5
363	G	72.9	Confident	91.1	Very high	38 Å²	38	31.5 Å²	31.5	39%	0.392	18%	0.184	S	C	.	.			trans	-82.3	144.7	-177.4	0	0	0	0	0	113.8
364	S	68.3	Low	91.2	Very high	104 Å²	104	31.4 Å²	31.4	73%	0.727	18%	0.183	S	C	*	.	S	Bend	trans	-74.7	-27.4	173.2	56.8	0	0	0	0	113.2
365	V	72.6	Confident	91.2	Very high	145 Å²	145	30.8 Å²	30.8	88%	0.879	18%	0.181	S	C	*	.	S	Bend	trans	-77.3	-45.1	-177	-177	0	0	0	0	111.4
366	F	79.1	Confident	91.1	Very high	81 Å²	81	31 Å²	31	36%	0.355	18%	0.181	S	C	.	.	S	Bend	trans	-99.2	113.6	176.4	179.8	-102.6	0	0	0	109.7	T334 F336 S361 T457	T334-F366 HydrophobicContact CG2-CE1 4.18Å; T334-F366 HydrophobicContact CG2-CZ 4.39Å; F336-F366 AromaticContact CE1-CE1 3.96Å; F336-F366 HydrophobicContact CE1-CE1 3.96Å; F336-F366 HydrophobicContact CZ-CE1 4.11Å; F336-F366 HydrophobicContact CZ-CZ 4.42Å; S361-F366 WeakPolarHBondContact CB-O 3Å; S361-F366 PolarHBondContact OG-O 3.14Å; F366-T457 HydrophobicContact CE2-CG2 3.99Å; F366-T457 HydrophobicContact CZ-CG2 3.55Å
367	R	84.4	Confident	91	Very high	155 Å²	155	33.7 Å²	33.7	59%	0.585	20%	0.204	S	C	*	.			trans	-97.4	110.2	171.7	-64.7	-175.9	-177.4	-174.1	1	109	G458	R367-G458 PolarHBondContact O-N 3.47Å
368	G	92	Very high	90.9	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	156.1	175.1	0	0	0	0	0	112.9	T360 S361 R456	T360-G368 WeakPolarHBondContact CA-O 3.07Å; S361-G368 PolarHBondContact N-O 3.46Å; S361-G368 PolarHBondContact OG-N 3.25Å; S361-G368 PolarHBondContact OG-O 2.84Å; G368-R456 CarbonylContact C-O 3.56Å; G368-R456 WeakPolarHBondContact CA-O 3.21Å
369	S	96.3	Very high	90.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.4	169.6	-54.9	0	0	0	0	109.7	F359 R456 L463	F359-S369 CarbonylContact O-C 3.58Å; F359-S369 VanDerWaalsContact O-CA 3.22Å; F359-S369 WeakPolarHBondContact O-CA 3.38Å; S369-R456 PolarHBondContact N-O 2.88Å; S369-R456 PolarHBondContact O-N 3.08Å; S369-L463 PolarHBondContact OG-N 2.62Å
370	A	96.9	Very high	90.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.7	178.5	0	0	0	0	0	110.8	F336 V358 F359 P452 V454	F336-A370 HydrophobicContact CB-CB 4.33Å; F336-A370 HydrophobicContact CD1-CB 3.86Å; F336-A370 HydrophobicContact CD2-CB 3.81Å; F336-A370 HydrophobicContact CE1-CB 4.04Å; F336-A370 HydrophobicContact CE2-CB 4.03Å; F336-A370 HydrophobicContact CG-CB 3.74Å; F336-A370 HydrophobicContact CZ-CB 4.13Å; V358-A370 WeakPolarHBondContact CA-O 3.14Å; F359-A370 PolarHBondContact N-O 2.91Å; F359-A370 PolarHBondContact O-N 2.83Å; A370-P452 HydrophobicContact CB-CB 4.01Å; A370-P452 HydrophobicContact CB-CG 4.24Å; A370-V454 CarbonylContact C-O 3.51Å; A370-V454 WeakPolarHBondContact CA-O 3.01Å
371	V	98.2	Very high	91	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.3	169.9	-174.6	0	0	0	0	107.6	A357 V358 P452 L453 V454 L463 L481 L483	A357-V371 WeakPolarHBondContact O-CA 3.21Å; V358-V371 HydrophobicContact CG2-CG2 4.37Å; V371-P452 CarbonylContact O-C 3.52Å; V371-L453 PolarHBondContact O-N 3.3Å; V371-V454 HydrophobicContact CB-CB 4Å; V371-V454 HydrophobicContact CG2-CB 3.99Å; V371-V454 HydrophobicContact CG2-CG1 4.5Å; V371-V454 PolarHBondContact N-O 3.24Å; V371-V454 PolarHBondContact O-N 2.67Å; V371-L463 HydrophobicContact CG2-CD1 3.97Å; V371-L481 HydrophobicContact CG1-CD2 4.13Å; V371-L483 HydrophobicContact CG2-CD1 4.27Å; V371-L483 HydrophobicContact CG2-CD2 3.84Å
372	C	98.3	Very high	91.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.2	177.8	-85.2	0	0	0	0	110.3	C324 A357 F359 Y374 P447	C324-C372 WeakPolarHBondContact CA-SG 3.2Å; C324-C372 HydrophobicContact CB-CB 3.84Å; C324-C372 WeakPolarHBondContact CB-SG 3.39Å; C324-C372 WeakPolarHBondContact SG-CB 3.4Å; C324-C372 CovalentContact SG-SG 2.04Å; C324-C372 PolarHBondContact SG-SG 3.49Å; A357-C372 PolarHBondContact N-O 3.06Å; A357-C372 PolarHBondContact O-N 3.35Å; F359-C372 HydrophobicContact CD2-CB 4.23Å; F359-C372 HydrophobicContact CE2-CB 3.88Å; C372-Y374 HydrophobicContact CB-CE2 3.72Å; C372-P447 HydrophobicContact CB-CB 3.9Å; C372-P447 HydrophobicContact CB-CG 4.43Å
373	V	98.4	Very high	92.1	Very high	12 Å²	12	39.3 Å²	39.3	7%	0.073	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.6	-179.3	-171.8	0	0	0	0	109.1	V354 I355 Y356 P447 L448 L453	V354-V373 HydrophobicContact CG1-CG1 3.32Å; I355-V373 CarbonylContact O-C 3.58Å; I355-V373 VanDerWaalsContact O-CA 3.32Å; I355-V373 WeakPolarHBondContact O-CA 3.27Å; Y356-V373 HydrophobicContact CD1-CG1 4.38Å; Y356-V373 HydrophobicContact CD1-CG2 3.55Å; Y356-V373 HydrophobicContact CE1-CG1 4.15Å; Y356-V373 HydrophobicContact CE1-CG2 3.59Å; Y356-V373 HydrophobicContact CG-CG2 4.4Å; V373-P447 CarbonylContact O-C 3.6Å; V373-P447 WeakPolarHBondContact O-CA 3.24Å; V373-P447 VanDerWaalsContact O-CB 3.26Å; V373-P447 WeakPolarHBondContact O-CB 3.48Å; V373-L448 HydrophobicContact CB-CD1 4.19Å; V373-L448 HydrophobicContact CG1-CD1 3.71Å; V373-L448 HydrophobicContact CG1-CG 4.39Å; V373-L448 PolarHBondContact O-N 3.29Å; V373-L453 HydrophobicContact CG2-CB 3.98Å; V373-L453 HydrophobicContact CG2-CD2 3.7Å; V373-L453 HydrophobicContact CG2-CG 4.42Å
374	Y	98.6	Very high	93.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.6	-176.9	-55.6	-90.3	0	0	0	111.2	L322 V323 I355 A357 F359 C372 V445 Y446 P447	L322-Y374 HydrophobicContact CD2-CD1 3.93Å; L322-Y374 HydrophobicContact CD2-CD2 4.4Å; L322-Y374 HydrophobicContact CD2-CE1 3.81Å; L322-Y374 HydrophobicContact CD2-CE2 4.31Å; L322-Y374 HydrophobicContact CD2-CG 4.21Å; V323-Y374 PolarHBondContact O-OH 3.28Å; I355-Y374 HydrophobicContact CG2-CD2 4.47Å; I355-Y374 PolarHBondContact N-O 2.78Å; I355-Y374 PolarHBondContact O-N 2.88Å; A357-Y374 HydrophobicContact CB-CE2 4.11Å; F359-Y374 AromaticContact CE2-CE2 3.94Å; F359-Y374 HydrophobicContact CE2-CE2 3.94Å; F359-Y374 WeakPolarHBondContact CE2-OH 3.33Å; F359-Y374 AromaticContact CZ-CE2 3.99Å; F359-Y374 HydrophobicContact CZ-CE2 3.99Å; F359-Y374 AromaticContact CZ-CZ 3.99Å; F359-Y374 WeakPolarHBondContact CZ-OH 3.37Å; C372-Y374 HydrophobicContact CB-CE2 3.72Å; Y374-V445 HydrophobicContact CD1-CG1 3.8Å; Y374-V445 HydrophobicContact CE1-CG1 4.4Å; Y374-Y446 WeakPolarHBondContact CD1-O 3.43Å; Y374-P447 HydrophobicContact CD1-CB 4.24Å; Y374-P447 HydrophobicContact CE1-CB 3.98Å
375	S	97.6	Very high	94.6	Very high	25 Å²	25	38.2 Å²	38.2	18%	0.175	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	142.4	172.6	87.2	0	0	0	0	110.9	A377 D378 I379	S375-A377 PolarHBondContact O-N 3.31Å; S375-D378 PolarHBondContact O-N 2.97Å; S375-D378 WeakPolarHBondContact OG-CB 3.41Å; S375-D378 PolarHBondContact OG-N 3.38Å; S375-D378 PolarHBondContact OG-OD2 2.95Å; S375-I379 WeakPolarHBondContact O-CG1 3.47Å; S375-I379 PolarHBondContact O-N 3.04Å
376	M	97.1	Very high	95.7	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-23.7	172.4	-79.9	-58.6	-57.8	0	0	113.2	I264 Y276 P353 I355 I379 R380	I264-M376 HydrophobicContact CB-CE 4.43Å; I264-M376 HydrophobicContact CD1-CE 4.24Å; I264-M376 HydrophobicContact CD1-SD 3.86Å; I264-M376 HydrophobicContact CG2-CE 3.86Å; I264-M376 HydrophobicContact CG2-SD 4.46Å; Y276-M376 HydrophobicContact CE1-CE 4.09Å; Y276-M376 HydrophobicContact CE2-CE 4.08Å; P353-M376 HydrophobicContact CG-CG 3.75Å; P353-M376 WeakPolarHBondContact O-CG 3.32Å; I355-M376 HydrophobicContact CD1-CG 4.22Å; I355-M376 HydrophobicContact CD1-SD 3.51Å; I355-M376 VanDerWaalsContact CD1-SD 3.51Å; M376-I379 HydrophobicContact CE-CG2 4.28Å; M376-I379 HydrophobicContact SD-CB 4.4Å; M376-I379 HydrophobicContact SD-CD1 3.69Å; M376-I379 HydrophobicContact SD-CG2 4.39Å; M376-R380 WeakPolarHBondContact O-CB 3.45Å; M376-R380 VanDerWaalsContact O-CG 3.27Å; M376-R380 WeakPolarHBondContact O-CG 3.26Å; M376-R380 PolarHBondContact O-N 2.67Å
377	A	96.6	Very high	96.6	Very high	58 Å²	58	29.2 Å²	29.2	48%	0.479	16%	0.157	S	C	.	.	H	α-helix	trans	-64.4	-46.9	174.6	0	0	0	0	0	111.6	S375 R380 M381	S375-A377 PolarHBondContact O-N 3.31Å; A377-R380 PolarHBondContact O-N 3.08Å; A377-M381 WeakPolarHBondContact O-CB 3.19Å; A377-M381 PolarHBondContact O-N 2.75Å
378	D	97.8	Very high	97	Very high	53 Å²	53	22 Å²	22	28%	0.283	13%	0.131	S	C	.	.	H	α-helix	trans	-66.6	-40	178.3	-62.8	-42.9	0	0	0	111.6	S375 R380 M381 V382	S375-D378 PolarHBondContact O-N 2.97Å; S375-D378 WeakPolarHBondContact OG-CB 3.41Å; S375-D378 PolarHBondContact OG-N 3.38Å; S375-D378 PolarHBondContact OG-OD2 2.95Å; D378-R380 PolarHBondContact O-N 3.04Å; D378-M381 WeakPolarHBondContact O-CB 3.5Å; D378-M381 PolarHBondContact O-N 3.37Å; D378-V382 WeakPolarHBondContact O-CG2 3.23Å; D378-V382 PolarHBondContact O-N 2.87Å
379	I	98.3	Very high	96.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58	-49.1	175	-71.6	165.3	0	0	0	110.5	Y276 I296 I355 S375 M376 V382 F383 V445	Y276-I379 HydrophobicContact CE1-CG2 4.02Å; I296-I379 HydrophobicContact CD1-CD1 3.83Å; I296-I379 HydrophobicContact CD1-CG1 4.3Å; I296-I379 HydrophobicContact CD1-CG2 3.86Å; I355-I379 HydrophobicContact CD1-CD1 3.4Å; S375-I379 WeakPolarHBondContact O-CG1 3.47Å; S375-I379 PolarHBondContact O-N 3.04Å; M376-I379 HydrophobicContact CE-CG2 4.28Å; M376-I379 HydrophobicContact SD-CB 4.4Å; M376-I379 HydrophobicContact SD-CD1 3.69Å; M376-I379 HydrophobicContact SD-CG2 4.39Å; I379-V382 PolarHBondContact O-N 3.37Å; I379-F383 HydrophobicContact CG2-CD2 3.71Å; I379-F383 HydrophobicContact CG2-CE2 3.61Å; I379-F383 WeakPolarHBondContact O-CD2 3.27Å; I379-F383 PolarHBondContact O-N 3.33Å; I379-V445 HydrophobicContact CG1-CG1 3.65Å; I379-V445 HydrophobicContact CG1-CG2 4.29Å
380	R	97	Very high	96.2	Very high	34 Å²	34	27.7 Å²	27.7	13%	0.128	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-41.8	177.6	-74.9	172	177.2	136	6.7	112.2	P265 D266 R351 N352 M376 A377 D378 V382 F383 N384	P265-R380 PolarHBondContact O-NH2 3.41Å; D266-R380 IonicContact OD1-CZ 3.96Å; D266-R380 IonicContact OD1-NE 2.71Å; D266-R380 PolarHBondContact OD1-NE 3.4Å; D266-R380 IonicContact OD1-NH2 3.8Å; D266-R380 PolarHBondContact OD1-NH2 2.95Å; R351-R380 PolarHBondContact O-NH1 3.17Å; R351-R380 PolarHBondContact O-NH2 2.96Å; N352-R380 PolarHBondContact OD1-NH1 2.82Å; M376-R380 WeakPolarHBondContact O-CB 3.45Å; M376-R380 VanDerWaalsContact O-CG 3.27Å; M376-R380 WeakPolarHBondContact O-CG 3.26Å; M376-R380 PolarHBondContact O-N 2.67Å; A377-R380 PolarHBondContact O-N 3.08Å; D378-R380 PolarHBondContact O-N 3.04Å; R380-V382 VanDerWaalsContact C-N 3.3Å; R380-V382 PolarHBondContact O-N 3.27Å; R380-F383 PolarHBondContact O-N 3.1Å; R380-N384 VanDerWaalsContact O-CB 3.29Å; R380-N384 WeakPolarHBondContact O-CB 3.33Å; R380-N384 VanDerWaalsContact O-CG 3.23Å; R380-N384 PolarHBondContact O-N 3.4Å; R380-N384 PolarHBondContact O-ND2 3.04Å
381	M	97.6	Very high	95	Very high	110 Å²	110	32.8 Å²	32.8	54%	0.542	18%	0.179	S	C	.	.	H	α-helix	trans	-56.1	-46.6	175.9	180	-177.6	62.2	0	0	110.9	A377 D378 N384 G385	A377-M381 WeakPolarHBondContact O-CB 3.19Å; A377-M381 PolarHBondContact O-N 2.75Å; D378-M381 WeakPolarHBondContact O-CB 3.5Å; D378-M381 PolarHBondContact O-N 3.37Å; M381-N384 CarbonylContact O-C 3.56Å; M381-N384 WeakPolarHBondContact O-CA 3.48Å; M381-N384 PolarHBondContact O-N 3.28Å; M381-N384 VanDerWaalsContact O-N 3.14Å; M381-G385 PolarHBondContact O-N 3.16Å
382	V	98.4	Very high	93.4	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.024	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-45.8	177.9	167.9	0	0	0	0	112	A320 D378 I379 R380 N384 G385 M441 Q443 V445	A320-V382 HydrophobicContact CB-CG1 3.7Å; D378-V382 WeakPolarHBondContact O-CG2 3.23Å; D378-V382 PolarHBondContact O-N 2.87Å; I379-V382 PolarHBondContact O-N 3.37Å; R380-V382 VanDerWaalsContact C-N 3.3Å; R380-V382 PolarHBondContact O-N 3.27Å; V382-N384 PolarHBondContact O-N 3.19Å; V382-G385 WeakPolarHBondContact O-CA 3.48Å; V382-G385 PolarHBondContact O-N 3.16Å; V382-M441 HydrophobicContact CG1-CB 4.12Å; V382-M441 HydrophobicContact CG1-CG 4.5Å; V382-M441 WeakPolarHBondContact O-CE 3.48Å; V382-Q443 HydrophobicContact CG1-CB 4.23Å; V382-Q443 WeakPolarHBondContact CG1-O 3.24Å; V382-Q443 HydrophobicContact CG2-CB 4.23Å; V382-V445 HydrophobicContact CB-CG2 3.87Å; V382-V445 HydrophobicContact CG1-CG2 3.91Å; V382-V445 HydrophobicContact CG2-CG2 3.85Å
383	F	97.9	Very high	91.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.9	-19.7	175.7	-77.3	-64.8	0	0	0	113.6	Y276 I296 R298 L318 A320 I379 R380 R408 M441	Y276-F383 HydrophobicContact CE1-CD2 4.45Å; Y276-F383 AromaticContact CE1-CE2 3.91Å; Y276-F383 HydrophobicContact CE1-CE2 3.91Å; I296-F383 HydrophobicContact CG2-CE2 4.16Å; I296-F383 HydrophobicContact CG2-CZ 4.11Å; I296-F383 WeakPolarHBondContact O-CZ 3.42Å; R298-F383 HydrophobicContact CB-CZ 4.28Å; R298-F383 HydrophobicContact CG-CD1 4.22Å; R298-F383 HydrophobicContact CG-CE1 3.91Å; R298-F383 HydrophobicContact CG-CE2 4.25Å; R298-F383 HydrophobicContact CG-CZ 3.92Å; L318-F383 HydrophobicContact CB-CD1 3.93Å; L318-F383 HydrophobicContact CB-CE1 3.84Å; L318-F383 HydrophobicContact CD1-CD1 4.44Å; A320-F383 HydrophobicContact CB-CE1 4.28Å; A320-F383 HydrophobicContact CB-CZ 4.34Å; I379-F383 HydrophobicContact CG2-CD2 3.71Å; I379-F383 HydrophobicContact CG2-CE2 3.61Å; I379-F383 WeakPolarHBondContact O-CD2 3.27Å; I379-F383 PolarHBondContact O-N 3.33Å; R380-F383 PolarHBondContact O-N 3.1Å; F383-R408 VanDerWaalsContact O-CZ 3.31Å; F383-R408 PolarHBondContact O-NH1 3.07Å; F383-R408 PolarHBondContact O-NH2 2.82Å; F383-M441 HydrophobicContact CD1-CG 3.76Å; F383-M441 HydrophobicContact CD1-SD 4.24Å; F383-M441 HydrophobicContact CE1-CG 4.21Å; F383-M441 WeakPolarHBondContact O-CE 3.38Å
384	N	96.3	Very high	90.5	Very high	102 Å²	102	45.9 Å²	45.9	55%	0.545	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.1	171.4	-68.3	-21.1	0	0	0	113.5	R380 M381 V382 R408	R380-N384 VanDerWaalsContact O-CB 3.29Å; R380-N384 WeakPolarHBondContact O-CB 3.33Å; R380-N384 VanDerWaalsContact O-CG 3.23Å; R380-N384 PolarHBondContact O-N 3.4Å; R380-N384 PolarHBondContact O-ND2 3.04Å; M381-N384 CarbonylContact O-C 3.56Å; M381-N384 WeakPolarHBondContact O-CA 3.48Å; M381-N384 PolarHBondContact O-N 3.28Å; M381-N384 VanDerWaalsContact O-N 3.14Å; V382-N384 PolarHBondContact O-N 3.19Å; N384-R408 VanDerWaalsContact CA-NH2 3.31Å; N384-R408 PolarHBondContact O-NH2 3.05Å; N384-R408 VanDerWaalsContact O-NH2 3.16Å; N384-R408 PolarHBondContact OD1-NH1 2.71Å
385	G	96.6	Very high	89.4	Confident	17 Å²	17	54.2 Å²	54.2	18%	0.175	30%	0.297	C	S	.	.	S	Bend	trans	-82.2	-165.9	177.9	0	0	0	0	0	114.9	M381 V382 R408 M441	M381-G385 PolarHBondContact O-N 3.16Å; V382-G385 WeakPolarHBondContact O-CA 3.48Å; V382-G385 PolarHBondContact O-N 3.16Å; G385-R408 PolarHBondContact O-NH2 2.66Å; G385-M441 WeakPolarHBondContact O-CE 3.43Å
386	P	96.6	Very high	88.6	Confident	37 Å²	37	59.1 Å²	59.1	24%	0.24	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-73.9	146	-178.8	28.5	-32.6	0	0	0	112.5	P399 Y442 Q443	P386-P399 HydrophobicContact CB-CB 3.92Å; P386-P399 HydrophobicContact CG-CB 4.14Å; P386-Y442 HydrophobicContact CG-CD1 4.39Å; P386-Y442 WeakPolarHBondContact O-CB 3.31Å; P386-Y442 PolarHBondContact O-N 3.06Å; P386-Q443 HydrophobicContact CG-CG 4.36Å
387	F	96.9	Very high	88.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-77.2	149.6	172	-63.7	-90	0	0	0	110.8	L318 F400 M404 P409 F434 H438 M441	L318-F387 HydrophobicContact CD1-CE1 3.97Å; L318-F387 HydrophobicContact CD1-CZ 4.37Å; L318-F387 HydrophobicContact CD2-CD1 4.31Å; L318-F387 HydrophobicContact CD2-CE1 3.59Å; L318-F387 HydrophobicContact CG-CE1 4.45Å; F387-F400 HydrophobicContact CB-CB 4.24Å; F387-F400 WeakPolarHBondContact O-CB 3.31Å; F387-F400 PolarHBondContact O-N 3.04Å; F387-M404 HydrophobicContact CD2-CE 3.7Å; F387-M404 HydrophobicContact CD2-SD 4.01Å; F387-M404 HydrophobicContact CE2-CE 3.84Å; F387-M404 HydrophobicContact CE2-SD 3.61Å; F387-P409 HydrophobicContact CE1-CB 4.37Å; F387-P409 HydrophobicContact CE2-CB 4.45Å; F387-P409 HydrophobicContact CZ-CB 3.84Å; F387-F434 HydrophobicContact CB-CE1 4.33Å; F387-F434 HydrophobicContact CB-CZ 4.16Å; F387-F434 AromaticContact CD1-CE1 3.99Å; F387-F434 HydrophobicContact CD1-CE1 3.99Å; F387-F434 AromaticContact CD2-CE1 3.7Å; F387-F434 HydrophobicContact CD2-CE1 3.7Å; F387-F434 AromaticContact CD2-CZ 3.83Å; F387-F434 HydrophobicContact CD2-CZ 3.83Å; F387-F434 HydrophobicContact CE1-CE1 4.22Å; F387-F434 AromaticContact CE2-CE1 3.95Å; F387-F434 HydrophobicContact CE2-CE1 3.95Å; F387-F434 HydrophobicContact CE2-CZ 4.42Å; F387-F434 AromaticContact CG-CE1 3.72Å; F387-F434 HydrophobicContact CG-CE1 3.72Å; F387-F434 AromaticContact CG-CZ 3.95Å; F387-F434 HydrophobicContact CG-CZ 3.95Å; F387-F434 HydrophobicContact CZ-CE1 4.21Å; F387-H438 HydrophobicContact CB-CB 4.3Å; F387-H438 HydrophobicContact CD1-CB 4.34Å; F387-H438 WeakPolarHBondContact CD1-O 3.43Å; F387-M441 HydrophobicContact CD1-CE 4.08Å; F387-M441 HydrophobicContact CD1-SD 3.78Å; F387-M441 HydrophobicContact CE1-CE 4.07Å; F387-M441 HydrophobicContact CE1-SD 3.73Å; F387-M441 HydrophobicContact CG-CE 4.37Å; F387-M441 HydrophobicContact CZ-CE 4.35Å; F387-M441 HydrophobicContact CZ-SD 4.5Å
388	A	93.4	Very high	87.7	Confident	3 Å²	3	62.1 Å²	62.1	3%	0.025	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.7	172.3	0	0	0	0	0	109.8	W397 L440	A388-W397 HydrophobicContact CB-CE3 3.73Å; A388-W397 HydrophobicContact CB-CZ3 3.79Å; A388-L440 HydrophobicContact CB-CB 4.2Å; A388-L440 HydrophobicContact CB-CD2 3.87Å; A388-L440 HydrophobicContact CB-CG 3.83Å; A388-L440 WeakPolarHBondContact CB-O 3.24Å; A388-L440 PolarHBondContact N-O 3.04Å
389	H	88.6	Confident	87.5	Confident	39 Å²	39	62 Å²	62	18%	0.181	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.8	-178.2	-177.6	68.3	0	0	0	110.6	E391 W397 M398 F400 H438	H389-E391 IonicContact CD2-OE2 2.73Å; H389-E391 IonicContact NE2-OE2 3.45Å; H389-W397 WeakPolarHBondContact O-CA 3.49Å; H389-M398 PolarHBondContact N-O 3.17Å; H389-M398 PolarHBondContact O-N 2.96Å; H389-F400 HydrophobicContact CB-CB 3.98Å; H389-F400 HydrophobicContact CB-CD2 4.11Å; H389-F400 AromaticContact CG-CD2 3.94Å; H389-H438 AromaticContact CE1-NE2 3.69Å; H389-H438 AromaticContact CG-NE2 3.88Å; H389-H438 AromaticContact ND1-CD2 3.68Å; H389-H438 AromaticContact ND1-CE1 3.99Å; H389-H438 AromaticContact ND1-NE2 2.87Å; H389-H438 PolarHBondContact ND1-NE2 3.48Å
390	K	82.9	Confident	87.3	Confident	85 Å²	85	64.1 Å²	64.1	37%	0.37	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111.3	172	-72.1	-168.6	179.4	-172	0	109	W397	K390-W397 HydrophobicContact CD-CD2 4.46Å; K390-W397 HydrophobicContact CD-CZ2 4.26Å; K390-W397 HydrophobicContact CG-CD2 3.74Å; K390-W397 HydrophobicContact CG-CE3 3.86Å; K390-W397 HydrophobicContact CG-CG 4.3Å; K390-W397 HydrophobicContact CG-CH2 4.33Å; K390-W397 HydrophobicContact CG-CZ2 4.21Å; K390-W397 HydrophobicContact CG-CZ3 4.15Å
391	E	71.5	Confident	86.9	Confident	106 Å²	106	67.2 Å²	67.2	50%	0.495	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	160	176.6	-156.1	171.2	-178.7	0	0	111.3	H389 M398	H389-E391 IonicContact CD2-OE2 2.73Å; H389-E391 IonicContact NE2-OE2 3.45Å; E391-M398 HydrophobicContact CB-CE 4.45Å; E391-M398 HydrophobicContact CB-SD 3.86Å
392	G	65.6	Low	86.6	Confident	41 Å²	41	63.9 Å²	63.9	42%	0.423	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	170.7	173.4	0	0	0	0	0	115.2	N394 Y395	G392-N394 PolarHBondContact O-N 2.85Å; G392-N394 VanDerWaalsContact O-N 3.16Å; G392-Y395 PolarHBondContact O-N 3.08Å; G392-Y395 VanDerWaalsContact O-N 3.16Å
393	P	65.3	Low	86.3	Confident	123 Å²	123	72 Å²	72	80%	0.799	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.5	-172.8	23.3	-32.5	0	0	0	113.7
394	N	69.8	Low	86.2	Confident	124 Å²	124	75.1 Å²	75.1	66%	0.663	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	0.7	-178.4	-63	-18.1	0	0	0	113.6	G392 Q396	G392-N394 PolarHBondContact O-N 2.85Å; G392-N394 VanDerWaalsContact O-N 3.16Å; N394-Q396 VanDerWaalsContact C-N 3.25Å; N394-Q396 HydrophobicContact CB-CG 4Å; N394-Q396 PolarHBondContact O-N 3.39Å
395	Y	75.1	Confident	86.1	Confident	174 Å²	174	70.6 Å²	70.6	68%	0.682	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	42.3	180	-70.1	-92.5	0	0	0	114.1	G392	G392-Y395 PolarHBondContact O-N 3.08Å; G392-Y395 VanDerWaalsContact O-N 3.16Å
396	Q	81.6	Confident	86.1	Confident	128 Å²	128	76.9 Å²	76.9	60%	0.598	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	150.7	-179.9	-68.5	-177.6	-3.6	0	0	111.2	N394	N394-Q396 VanDerWaalsContact C-N 3.25Å; N394-Q396 HydrophobicContact CB-CG 4Å; N394-Q396 PolarHBondContact O-N 3.39Å
397	W	85.3	Confident	86	Confident	59 Å²	59	75.2 Å²	75.2	22%	0.223	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	126.1	174.4	-73.2	102.1	0	0	0	110.7	A284 E285 A388 H389 K390 L440	A284-W397 HydrophobicContact CB-CZ2 4.34Å; A284-W397 PolarHBondContact O-NE1 3.35Å; E285-W397 VanDerWaalsContact CA-NE1 3.32Å; E285-W397 HydrophobicContact CG-CD2 4.35Å; E285-W397 HydrophobicContact CG-CG 4.45Å; E285-W397 HydrophobicContact CG-CZ2 4.39Å; A388-W397 HydrophobicContact CB-CE3 3.73Å; A388-W397 HydrophobicContact CB-CZ3 3.79Å; H389-W397 WeakPolarHBondContact O-CA 3.49Å; K390-W397 HydrophobicContact CD-CD2 4.46Å; K390-W397 HydrophobicContact CD-CZ2 4.26Å; K390-W397 HydrophobicContact CG-CD2 3.74Å; K390-W397 HydrophobicContact CG-CE3 3.86Å; K390-W397 HydrophobicContact CG-CG 4.3Å; K390-W397 HydrophobicContact CG-CH2 4.33Å; K390-W397 HydrophobicContact CG-CZ2 4.21Å; K390-W397 HydrophobicContact CG-CZ3 4.15Å; W397-L440 HydrophobicContact CH2-CD2 4.1Å; W397-L440 HydrophobicContact CZ3-CD2 4.15Å
398	M	89.6	Confident	86	Confident	65 Å²	65	78 Å²	78	32%	0.32	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.8	-175.9	49.6	-175.5	-77.9	0	0	110.9	H389 E391 F400	H389-M398 PolarHBondContact N-O 3.17Å; H389-M398 PolarHBondContact O-N 2.96Å; E391-M398 HydrophobicContact CB-CE 4.45Å; E391-M398 HydrophobicContact CB-SD 3.86Å; M398-F400 PolarHBondContact O-N 2.7Å
399	P	93.6	Very high	86.2	Confident	52 Å²	52	77.8 Å²	77.8	34%	0.338	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	132.8	176.3	27.8	-32.4	0	0	0	109.7	P386 S401 Y442	P386-P399 HydrophobicContact CB-CB 3.92Å; P386-P399 HydrophobicContact CG-CB 4.14Å; P399-S401 PolarHBondContact O-N 2.83Å; P399-Y442 HydrophobicContact CB-CD1 3.77Å; P399-Y442 HydrophobicContact CB-CD2 4.42Å; P399-Y442 HydrophobicContact CB-CE1 4.11Å; P399-Y442 HydrophobicContact CB-CG 3.94Å; P399-Y442 HydrophobicContact CG-CD1 4.28Å; P399-Y442 HydrophobicContact CG-CE1 4.1Å
400	F	93.3	Very high	86.5	Confident	43 Å²	43	76.1 Å²	76.1	19%	0.189	39%	0.389	C	S	.	.			trans	-62.5	121.1	174.9	-178.3	-101.6	0	0	0	110.5	F387 H389 M398 G402 M404 F434	F387-F400 HydrophobicContact CB-CB 4.24Å; F387-F400 WeakPolarHBondContact O-CB 3.31Å; F387-F400 PolarHBondContact O-N 3.04Å; H389-F400 HydrophobicContact CB-CB 3.98Å; H389-F400 HydrophobicContact CB-CD2 4.11Å; H389-F400 AromaticContact CG-CD2 3.94Å; M398-F400 PolarHBondContact O-N 2.7Å; F400-G402 VanDerWaalsContact CE1-C 3.41Å; F400-G402 VanDerWaalsContact CE1-O 3.28Å; F400-G402 WeakPolarHBondContact CE1-O 3.46Å; F400-G402 VanDerWaalsContact CZ-CA 3.45Å; F400-M404 HydrophobicContact CD1-CE 3.83Å; F400-M404 HydrophobicContact CE1-CE 4.14Å; F400-F434 AromaticContact CD1-CE2 3.96Å; F400-F434 HydrophobicContact CD1-CE2 3.96Å; F400-F434 AromaticContact CD1-CZ 4Å; F400-F434 HydrophobicContact CD1-CZ 4Å; F400-F434 HydrophobicContact CD2-CE2 4.29Å; F400-F434 AromaticContact CE1-CE2 3.63Å; F400-F434 HydrophobicContact CE1-CE2 3.63Å; F400-F434 HydrophobicContact CE1-CZ 4.11Å; F400-F434 HydrophobicContact CE2-CE2 4.01Å; F400-F434 HydrophobicContact CG-CE2 4.26Å; F400-F434 HydrophobicContact CG-CZ 4.27Å; F400-F434 AromaticContact CZ-CE2 3.66Å; F400-F434 HydrophobicContact CZ-CE2 3.66Å
401	S	90.1	Very high	87.1	Confident	100 Å²	100	73.2 Å²	73.2	70%	0.699	38%	0.379	S	S	*	.			trans	-109	-3.2	-178.3	57.5	0	0	0	0	113.8	P399	P399-S401 PolarHBondContact O-N 2.83Å
402	G	89.8	Confident	88.2	Confident	39 Å²	39	68.2 Å²	68.2	40%	0.402	36%	0.356	S	S	.	.	S	Bend	trans	-70.9	178.1	178.8	0	0	0	0	0	113.5	F400 M404	F400-G402 VanDerWaalsContact CE1-C 3.41Å; F400-G402 VanDerWaalsContact CE1-O 3.28Å; F400-G402 WeakPolarHBondContact CE1-O 3.46Å; F400-G402 VanDerWaalsContact CZ-CA 3.45Å; G402-M404 PolarHBondContact O-N 3.27Å
403	K	92.6	Very high	89.7	Confident	175 Å²	175	66.3 Å²	66.3	76%	0.761	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-65.3	125.4	177.1	-174.7	-178.1	175.8	-170.2	0	110.1
404	M	95.2	Very high	90.9	Very high	66 Å²	66	61.3 Å²	61.3	33%	0.325	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-76.7	126	175	-164.4	60.2	50	0	0	110	F387 F400 G402 R408 P409 F434	F387-M404 HydrophobicContact CD2-CE 3.7Å; F387-M404 HydrophobicContact CD2-SD 4.01Å; F387-M404 HydrophobicContact CE2-CE 3.84Å; F387-M404 HydrophobicContact CE2-SD 3.61Å; F400-M404 HydrophobicContact CD1-CE 3.83Å; F400-M404 HydrophobicContact CE1-CE 4.14Å; G402-M404 PolarHBondContact O-N 3.27Å; M404-R408 HydrophobicContact CG-CG 4.26Å; M404-P409 HydrophobicContact SD-CG 4.11Å; M404-F434 HydrophobicContact CE-CZ 4.41Å; M404-F434 HydrophobicContact SD-CE1 4.37Å; M404-F434 HydrophobicContact SD-CZ 4.24Å
405	P	95.8	Very high	91.7	Very high	7 Å²	7	55.6 Å²	55.6	5%	0.045	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-70.5	158.1	175.8	31	-35.6	0	0	0	111	P407 P409 E430 V431 F434	P405-P407 CarbonylContact O-C 3.42Å; P405-P409 HydrophobicContact CG-CG 3.72Å; P405-E430 HydrophobicContact CB-CB 4.34Å; P405-E430 HydrophobicContact CB-CG 3.86Å; P405-V431 HydrophobicContact CB-CG2 3.84Å; P405-V431 HydrophobicContact CG-CG2 4.27Å; P405-F434 HydrophobicContact CG-CB 4.06Å; P405-F434 HydrophobicContact CG-CD2 4.4Å; P405-F434 HydrophobicContact CG-CG 4.16Å
406	Y	94.8	Very high	92.1	Very high	149 Å²	149	51.7 Å²	51.7	58%	0.584	27%	0.271	S	S	*	.	S	Bend	trans	-114.2	135.8	178.5	-179.8	-92.1	0	0	0	111.3	F417 M421 V431	Y406-F417 PolarHBondContact OH-O 3.1Å; Y406-M421 HydrophobicContact CE1-CE 4.45Å; Y406-V431 WeakPolarHBondContact O-CG2 3.23Å
407	P	96.1	Very high	92.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	27%	0.274	C	S	.	.	S	Bend	cis	-65.2	159.5	-5	28.9	-36.5	0	0	0	112.5	P405 P409 T418 M421 Y427	P405-P407 CarbonylContact O-C 3.42Å; P407-P409 WeakPolarHBondContact O-CD 3.14Å; P407-T418 HydrophobicContact CB-CG2 3.47Å; P407-T418 VanDerWaalsContact CB-CG2 3.47Å; P407-T418 HydrophobicContact CG-CG2 3.91Å; P407-M421 HydrophobicContact CG-SD 3.89Å; P407-Y427 HydrophobicContact CG-CD1 3.92Å; P407-Y427 HydrophobicContact CG-CD2 4.39Å; P407-Y427 HydrophobicContact CG-CE1 3.74Å; P407-Y427 HydrophobicContact CG-CE2 4.22Å; P407-Y427 HydrophobicContact CG-CG 4.23Å
408	R	96.3	Very high	92.6	Very high	58 Å²	58	49.8 Å²	49.8	22%	0.219	26%	0.263	C	S	.	.			trans	-57.2	127.1	-178.4	-178.2	171.1	176.8	-87.9	-5.2	109.1	F383 N384 G385 M404 G410 T411	F383-R408 VanDerWaalsContact O-CZ 3.31Å; F383-R408 PolarHBondContact O-NH1 3.07Å; F383-R408 PolarHBondContact O-NH2 2.82Å; N384-R408 VanDerWaalsContact CA-NH2 3.31Å; N384-R408 PolarHBondContact O-NH2 3.05Å; N384-R408 VanDerWaalsContact O-NH2 3.16Å; N384-R408 PolarHBondContact OD1-NH1 2.71Å; G385-R408 PolarHBondContact O-NH2 2.66Å; M404-R408 HydrophobicContact CG-CG 4.26Å; R408-G410 PolarHBondContact O-N 3.39Å; R408-T411 VanDerWaalsContact O-CB 3.24Å; R408-T411 WeakPolarHBondContact O-CB 3.37Å; R408-T411 PolarHBondContact O-N 3.42Å; R408-T411 PolarHBondContact O-OG1 2.79Å
409	P	97.1	Very high	92.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.3	127.2	176.7	-32	37	0	0	0	112.1	F387 M404 P405 P407 V431 F434 M435	F387-P409 HydrophobicContact CE1-CB 4.37Å; F387-P409 HydrophobicContact CE2-CB 4.45Å; F387-P409 HydrophobicContact CZ-CB 3.84Å; M404-P409 HydrophobicContact SD-CG 4.11Å; P405-P409 HydrophobicContact CG-CG 3.72Å; P407-P409 WeakPolarHBondContact O-CD 3.14Å; P409-V431 HydrophobicContact CG-CG1 4.44Å; P409-F434 HydrophobicContact CB-CD1 3.68Å; P409-F434 HydrophobicContact CB-CE1 4.08Å; P409-F434 HydrophobicContact CG-CB 4.33Å; P409-F434 HydrophobicContact CG-CD1 3.34Å; P409-F434 HydrophobicContact CG-CE1 3.83Å; P409-F434 HydrophobicContact CG-CG 3.98Å; P409-M435 VanDerWaalsContact CA-SD 3.57Å; P409-M435 HydrophobicContact CB-CG 3.79Å; P409-M435 HydrophobicContact CB-SD 3.29Å; P409-M435 WeakPolarHBondContact CB-SD 3.38Å
410	G	94.8	Very high	92.5	Very high	3 Å²	3	53.4 Å²	53.4	3%	0.031	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	4.4	-175.3	0	0	0	0	0	116	R408 M435	R408-G410 PolarHBondContact O-N 3.39Å; G410-M435 PolarHBondContact N-SD 3.2Å
411	T	95.4	Very high	92.5	Very high	25 Å²	25	52.8 Å²	52.8	15%	0.153	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-78.4	138.3	170.9	-54.5	0	0	0	0	110.5	R408 F417 T418 Y427	R408-T411 VanDerWaalsContact O-CB 3.24Å; R408-T411 WeakPolarHBondContact O-CB 3.37Å; R408-T411 PolarHBondContact O-N 3.42Å; R408-T411 PolarHBondContact O-OG1 2.79Å; T411-F417 HydrophobicContact CG2-CB 4.17Å; T411-T418 HydrophobicContact CG2-CG2 3.84Å; T411-Y427 PolarHBondContact O-OH 2.7Å
412	C	96.1	Very high	92.7	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.007	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-77.9	146.6	-179.5	-52.1	0	0	0	0	111.7	N271 K274 C300 T418 Y427	N271-C412 WeakPolarHBondContact O-CB 3.46Å; K274-C412 WeakPolarHBondContact CE-SG 3.4Å; C300-C412 HydrophobicContact CB-CB 3.69Å; C300-C412 WeakPolarHBondContact CB-SG 3.38Å; C300-C412 WeakPolarHBondContact SG-CA 3.49Å; C300-C412 WeakPolarHBondContact SG-CB 3.31Å; C300-C412 PolarHBondContact SG-N 3.21Å; C300-C412 VanDerWaalsContact SG-N 3.41Å; C300-C412 CovalentContact SG-SG 2.04Å; C300-C412 PolarHBondContact SG-SG 3.26Å; C412-T418 PolarHBondContact O-OG1 3.28Å; C412-Y427 PolarHBondContact O-OH 2.78Å
413	P	96	Very high	92.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	151.7	177.4	33.5	-39.8	0	0	0	111.2	N302 G415 M421 T424 Y427	N302-P413 PolarHBondContact ND2-O 2.89Å; N302-P413 WeakPolarHBondContact OD1-CD 3.47Å; P413-G415 PolarHBondContact O-N 3.19Å; P413-G415 VanDerWaalsContact O-N 3.08Å; P413-M421 CarbonylContact C-O 3.5Å; P413-T424 HydrophobicContact CB-CG2 4.32Å; P413-T424 HydrophobicContact CG-CG2 3.8Å; P413-Y427 WeakPolarHBondContact CA-OH 3.43Å; P413-Y427 HydrophobicContact CB-CE1 4.24Å
414	G	91.7	Very high	93.1	Very high	19 Å²	19	47.1 Å²	47.1	20%	0.196	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	9.1	179	0	0	0	0	0	114.1	N271 T418 M421	N271-G414 WeakPolarHBondContact CB-O 3.44Å; N271-G414 PolarHBondContact ND2-O 2.7Å; G414-T418 PolarHBondContact N-O 2.61Å; G414-T418 PolarHBondContact N-OG1 3.19Å; G414-M421 PolarHBondContact N-O 3.41Å
415	G	85.8	Confident	93.1	Very high	4 Å²	4	48.5 Å²	48.5	4%	0.041	25%	0.25	C	C	.	.	S	Bend	trans	-85.7	-174	-179.1	0	0	0	0	0	112.6	D272 P413 F417 T418	D272-G415 WeakPolarHBondContact OD1-CA 3.46Å; P413-G415 PolarHBondContact O-N 3.19Å; P413-G415 VanDerWaalsContact O-N 3.08Å; G415-F417 PolarHBondContact O-N 3.24Å; G415-F417 VanDerWaalsContact O-N 3.13Å; G415-T418 PolarHBondContact N-OG1 3.16Å; G415-T418 CarbonylContact O-C 3.59Å; G415-T418 PolarHBondContact O-N 3.1Å; G415-T418 VanDerWaalsContact O-N 3.16Å
416	T	83.9	Confident	93.1	Very high	91 Å²	91	52.5 Å²	52.5	56%	0.558	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-34.9	-175.6	-52.2	0	0	0	0	112.9	D272	D272-T416 PolarHBondContact OD2-OG1 3.32Å
417	F	85.7	Confident	93.2	Very high	147 Å²	147	46 Å²	46	65%	0.645	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-7.4	-175.6	-61.5	-76	0	0	0	114.5	Y406 T411 G415 P419	Y406-F417 PolarHBondContact OH-O 3.1Å; T411-F417 HydrophobicContact CG2-CB 4.17Å; G415-F417 PolarHBondContact O-N 3.24Å; G415-F417 VanDerWaalsContact O-N 3.13Å; F417-P419 VanDerWaalsContact C-CD 3.45Å
418	T	91.1	Very high	93.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.			trans	-135.3	45.2	-174.6	49.8	0	0	0	0	112	P407 T411 C412 G414 G415 S420 M421	P407-T418 HydrophobicContact CB-CG2 3.47Å; P407-T418 VanDerWaalsContact CB-CG2 3.47Å; P407-T418 HydrophobicContact CG-CG2 3.91Å; T411-T418 HydrophobicContact CG2-CG2 3.84Å; C412-T418 PolarHBondContact O-OG1 3.28Å; G414-T418 PolarHBondContact N-O 2.61Å; G414-T418 PolarHBondContact N-OG1 3.19Å; G415-T418 PolarHBondContact N-OG1 3.16Å; G415-T418 CarbonylContact O-C 3.59Å; G415-T418 PolarHBondContact O-N 3.1Å; G415-T418 VanDerWaalsContact O-N 3.16Å; T418-S420 PolarHBondContact O-N 2.88Å; T418-M421 PolarHBondContact O-N 3.18Å; T418-M421 VanDerWaalsContact O-N 3.07Å
419	P	88.3	Confident	93	Very high	96 Å²	96	50.2 Å²	50.2	62%	0.623	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.3	-171.7	27.3	-36.4	0	0	0	113.6	F417	F417-P419 VanDerWaalsContact C-CD 3.45Å
420	S	92.8	Very high	92.9	Very high	97 Å²	97	55.7 Å²	55.7	68%	0.678	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-15	179.2	59.3	0	0	0	0	114.6	T418	T418-S420 PolarHBondContact O-N 2.88Å
421	M	94.3	Very high	93	Very high	31 Å²	31	55.7 Å²	55.7	15%	0.153	30%	0.3	C	S	.	.			trans	-109.6	99.9	-177.1	-65.3	172.6	-177.8	0	0	108.5	Y406 P407 P413 G414 T418 D426 Y427	Y406-M421 HydrophobicContact CE1-CE 4.45Å; P407-M421 HydrophobicContact CG-SD 3.89Å; P413-M421 CarbonylContact C-O 3.5Å; G414-M421 PolarHBondContact N-O 3.41Å; T418-M421 PolarHBondContact O-N 3.18Å; T418-M421 VanDerWaalsContact O-N 3.07Å; M421-D426 HydrophobicContact CB-CB 4.2Å; M421-D426 HydrophobicContact CG-CB 4.37Å; M421-Y427 HydrophobicContact CB-CD1 4.2Å; M421-Y427 HydrophobicContact CB-CE1 3.92Å; M421-Y427 HydrophobicContact CG-CD1 4.45Å; M421-Y427 HydrophobicContact SD-CD1 3.66Å; M421-Y427 HydrophobicContact SD-CE1 3.84Å
422	K	93.1	Very high	93	Very high	176 Å²	176	54.6 Å²	54.6	77%	0.765	29%	0.293	S	S	*	.			trans	-83.6	-20.1	-170.3	-66.9	-175.4	179.8	-179.3	0	113.1	D426	K422-D426 PolarHBondContact N-OD2 2.93Å; K422-D426 VanDerWaalsContact N-OD2 3.09Å
423	S	95.2	Very high	92.9	Very high	18 Å²	18	58 Å²	58	13%	0.126	31%	0.312	C	S	.	.	S	Bend	trans	-132.6	153.9	175.7	-179	0	0	0	0	110.3	D304 K425 D426	D304-S423 WeakPolarHBondContact CB-OG 3.49Å; D304-S423 PolarHBondContact OD2-OG 3.07Å; S423-K425 PolarHBondContact O-N 2.87Å; S423-K425 PolarHBondContact OG-N 3.04Å; S423-D426 PolarHBondContact N-OD2 3.31Å; S423-D426 VanDerWaalsContact N-OD2 3.08Å; S423-D426 WeakPolarHBondContact O-CB 2.95Å; S423-D426 PolarHBondContact O-N 3.1Å
424	T	95.8	Very high	92.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-63.3	-17	171.7	50.3	0	0	0	0	112.8	D303 D304 G305 S315 T316 P413 D426 Y427	D303-T424 HydrophobicContact CB-CG2 4.43Å; D303-T424 PolarHBondContact OD1-OG1 3.02Å; D304-T424 PolarHBondContact N-OG1 2.89Å; G305-T424 PolarHBondContact N-OG1 2.78Å; G305-T424 CarbonylContact O-C 3.53Å; G305-T424 WeakPolarHBondContact O-CB 3.31Å; G305-T424 PolarHBondContact O-OG1 2.6Å; S315-T424 WeakPolarHBondContact OG-CB 3.34Å; S315-T424 VanDerWaalsContact OG-CG2 3.24Å; S315-T424 WeakPolarHBondContact OG-CG2 3.45Å; S315-T424 PolarHBondContact OG-OG1 2.96Å; T316-T424 HydrophobicContact CG2-CG2 3.96Å; P413-T424 HydrophobicContact CB-CG2 4.32Å; P413-T424 HydrophobicContact CG-CG2 3.8Å; T424-D426 PolarHBondContact O-N 2.84Å; T424-Y427 HydrophobicContact CG2-CD2 4.25Å; T424-Y427 HydrophobicContact CG2-CE2 3.84Å; T424-Y427 VanDerWaalsContact O-CB 3.29Å; T424-Y427 WeakPolarHBondContact O-CB 3.44Å; T424-Y427 PolarHBondContact O-N 3.07Å
425	K	95.4	Very high	93.1	Very high	96 Å²	96	58.1 Å²	58.1	42%	0.417	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-67.3	-20.2	171.1	-67.2	176.4	-179.5	166.3	0	113.1	D304 G305 H307 S423 Y427	D304-K425 HydrophobicContact CB-CD 4.48Å; D304-K425 HydrophobicContact CB-CG 4.42Å; D304-K425 WeakPolarHBondContact O-CE 3.31Å; G305-K425 PolarHBondContact O-N 2.87Å; H307-K425 HydrophobicContact CB-CB 4.37Å; S423-K425 PolarHBondContact O-N 2.87Å; S423-K425 PolarHBondContact OG-N 3.04Å; K425-Y427 VanDerWaalsContact C-N 3.26Å
426	D	95.6	Very high	93.5	Very high	90 Å²	90	63 Å²	63	48%	0.481	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-82.8	-6	175.8	-53.5	-35	0	0	0	112	M421 K422 S423 T424	M421-D426 HydrophobicContact CB-CB 4.2Å; M421-D426 HydrophobicContact CG-CB 4.37Å; K422-D426 PolarHBondContact N-OD2 2.93Å; K422-D426 VanDerWaalsContact N-OD2 3.09Å; S423-D426 PolarHBondContact N-OD2 3.31Å; S423-D426 VanDerWaalsContact N-OD2 3.08Å; S423-D426 WeakPolarHBondContact O-CB 2.95Å; S423-D426 PolarHBondContact O-N 3.1Å; T424-D426 PolarHBondContact O-N 2.84Å
427	Y	96.1	Very high	94	Very high	14 Å²	14	61.1 Å²	61.1	6%	0.055	31%	0.314	C	S	.	.	S	Bend	trans	-73.4	141.4	-178.3	-69.5	-2.4	0	0	0	111.5	P407 T411 C412 P413 M421 T424 K425 V431 I432	P407-Y427 HydrophobicContact CG-CD1 3.92Å; P407-Y427 HydrophobicContact CG-CD2 4.39Å; P407-Y427 HydrophobicContact CG-CE1 3.74Å; P407-Y427 HydrophobicContact CG-CE2 4.22Å; P407-Y427 HydrophobicContact CG-CG 4.23Å; T411-Y427 PolarHBondContact O-OH 2.7Å; C412-Y427 PolarHBondContact O-OH 2.78Å; P413-Y427 WeakPolarHBondContact CA-OH 3.43Å; P413-Y427 HydrophobicContact CB-CE1 4.24Å; M421-Y427 HydrophobicContact CB-CD1 4.2Å; M421-Y427 HydrophobicContact CB-CE1 3.92Å; M421-Y427 HydrophobicContact CG-CD1 4.45Å; M421-Y427 HydrophobicContact SD-CD1 3.66Å; M421-Y427 HydrophobicContact SD-CE1 3.84Å; T424-Y427 HydrophobicContact CG2-CD2 4.25Å; T424-Y427 HydrophobicContact CG2-CE2 3.84Å; T424-Y427 VanDerWaalsContact O-CB 3.29Å; T424-Y427 WeakPolarHBondContact O-CB 3.44Å; T424-Y427 PolarHBondContact O-N 3.07Å; K425-Y427 VanDerWaalsContact C-N 3.26Å; Y427-V431 HydrophobicContact CD2-CG1 4.28Å; Y427-I432 HydrophobicContact CD2-CD1 4.41Å
428	P	95.7	Very high	94.4	Very high	58 Å²	58	55.2 Å²	55.2	38%	0.377	29%	0.289	S	S	.	.			trans	-59.1	146.8	175.1	-23.2	33.5	0	0	0	112.7	E430 V431 I432	P428-E430 PolarHBondContact O-N 3.29Å; P428-E430 VanDerWaalsContact O-N 3.1Å; P428-V431 HydrophobicContact CB-CG2 4.48Å; P428-V431 HydrophobicContact CG-CG2 4.5Å; P428-V431 WeakPolarHBondContact O-CB 3.39Å; P428-V431 PolarHBondContact O-N 2.87Å; P428-I432 PolarHBondContact O-N 2.76Å
429	D	93.9	Very high	94.6	Very high	88 Å²	88	55.3 Å²	55.3	47%	0.471	29%	0.29	S	S	.	.	H	α-helix	trans	-56.6	-30.4	178.6	-74.7	-30.5	0	0	0	113.1	V431 I432 N433	D429-V431 VanDerWaalsContact C-N 3.32Å; D429-V431 PolarHBondContact O-N 3.25Å; D429-I432 PolarHBondContact O-N 2.89Å; D429-N433 VanDerWaalsContact O-CB 3.27Å; D429-N433 WeakPolarHBondContact O-CB 3.37Å; D429-N433 VanDerWaalsContact O-CG 3.26Å; D429-N433 PolarHBondContact O-N 3.27Å; D429-N433 PolarHBondContact O-ND2 2.69Å; D429-N433 VanDerWaalsContact O-ND2 3.09Å
430	E	94.9	Very high	95	Very high	116 Å²	116	51.2 Å²	51.2	54%	0.542	26%	0.262	S	S	.	.	H	α-helix	trans	-59.1	-42.3	175.1	-167.6	-175.3	173.4	0	0	111.7	P405 P428 F434	P405-E430 HydrophobicContact CB-CB 4.34Å; P405-E430 HydrophobicContact CB-CG 3.86Å; P428-E430 PolarHBondContact O-N 3.29Å; P428-E430 VanDerWaalsContact O-N 3.1Å; E430-F434 VanDerWaalsContact O-CB 3.27Å; E430-F434 WeakPolarHBondContact O-CB 3.14Å; E430-F434 PolarHBondContact O-N 2.74Å
431	V	96.3	Very high	95.3	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-46.6	177.8	179.6	0	0	0	0	110.3	P405 Y406 P409 Y427 P428 D429 F434 M435	P405-V431 HydrophobicContact CB-CG2 3.84Å; P405-V431 HydrophobicContact CG-CG2 4.27Å; Y406-V431 WeakPolarHBondContact O-CG2 3.23Å; P409-V431 HydrophobicContact CG-CG1 4.44Å; Y427-V431 HydrophobicContact CD2-CG1 4.28Å; P428-V431 HydrophobicContact CB-CG2 4.48Å; P428-V431 HydrophobicContact CG-CG2 4.5Å; P428-V431 WeakPolarHBondContact O-CB 3.39Å; P428-V431 PolarHBondContact O-N 2.87Å; D429-V431 VanDerWaalsContact C-N 3.32Å; D429-V431 PolarHBondContact O-N 3.25Å; V431-F434 PolarHBondContact O-N 2.78Å; V431-M435 WeakPolarHBondContact O-CB 3.41Å; V431-M435 WeakPolarHBondContact O-CG 3.49Å; V431-M435 PolarHBondContact O-N 2.95Å
432	I	96.1	Very high	95.3	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-64.8	-42.7	-178.4	-59.5	-60.2	0	0	0	111.3	C309 L310 Y427 P428 D429 M435 R436	C309-I432 HydrophobicContact CB-CG2 3.69Å; L310-I432 HydrophobicContact CB-CG2 4.12Å; L310-I432 HydrophobicContact CD1-CG2 3.97Å; L310-I432 HydrophobicContact CG-CG2 4.03Å; Y427-I432 HydrophobicContact CD2-CD1 4.41Å; P428-I432 PolarHBondContact O-N 2.76Å; D429-I432 PolarHBondContact O-N 2.89Å; I432-M435 PolarHBondContact O-N 3.24Å; I432-R436 PolarHBondContact O-N 2.71Å
433	N	94.4	Very high	95.5	Very high	74 Å²	74	46 Å²	46	40%	0.396	23%	0.226	S	C	.	.	H	α-helix	trans	-67.2	-38	176.6	-74.2	-35.8	0	0	0	112.2	D429 R436 S437	D429-N433 VanDerWaalsContact O-CB 3.27Å; D429-N433 WeakPolarHBondContact O-CB 3.37Å; D429-N433 VanDerWaalsContact O-CG 3.26Å; D429-N433 PolarHBondContact O-N 3.27Å; D429-N433 PolarHBondContact O-ND2 2.69Å; D429-N433 VanDerWaalsContact O-ND2 3.09Å; N433-R436 PolarHBondContact O-N 3.22Å; N433-S437 PolarHBondContact O-N 3.02Å; N433-S437 PolarHBondContact O-OG 3.05Å
434	F	95.6	Very high	95.6	Very high	18 Å²	18	46.5 Å²	46.5	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-49.6	173.7	-171.9	-82.1	0	0	0	111	F387 F400 M404 P405 P409 E430 V431 R436 S437 H438	F387-F434 HydrophobicContact CB-CE1 4.33Å; F387-F434 HydrophobicContact CB-CZ 4.16Å; F387-F434 AromaticContact CD1-CE1 3.99Å; F387-F434 HydrophobicContact CD1-CE1 3.99Å; F387-F434 AromaticContact CD2-CE1 3.7Å; F387-F434 HydrophobicContact CD2-CE1 3.7Å; F387-F434 AromaticContact CD2-CZ 3.83Å; F387-F434 HydrophobicContact CD2-CZ 3.83Å; F387-F434 HydrophobicContact CE1-CE1 4.22Å; F387-F434 AromaticContact CE2-CE1 3.95Å; F387-F434 HydrophobicContact CE2-CE1 3.95Å; F387-F434 HydrophobicContact CE2-CZ 4.42Å; F387-F434 AromaticContact CG-CE1 3.72Å; F387-F434 HydrophobicContact CG-CE1 3.72Å; F387-F434 AromaticContact CG-CZ 3.95Å; F387-F434 HydrophobicContact CG-CZ 3.95Å; F387-F434 HydrophobicContact CZ-CE1 4.21Å; F400-F434 AromaticContact CD1-CE2 3.96Å; F400-F434 HydrophobicContact CD1-CE2 3.96Å; F400-F434 AromaticContact CD1-CZ 4Å; F400-F434 HydrophobicContact CD1-CZ 4Å; F400-F434 HydrophobicContact CD2-CE2 4.29Å; F400-F434 AromaticContact CE1-CE2 3.63Å; F400-F434 HydrophobicContact CE1-CE2 3.63Å; F400-F434 HydrophobicContact CE1-CZ 4.11Å; F400-F434 HydrophobicContact CE2-CE2 4.01Å; F400-F434 HydrophobicContact CG-CE2 4.26Å; F400-F434 HydrophobicContact CG-CZ 4.27Å; F400-F434 AromaticContact CZ-CE2 3.66Å; F400-F434 HydrophobicContact CZ-CE2 3.66Å; M404-F434 HydrophobicContact CE-CZ 4.41Å; M404-F434 HydrophobicContact SD-CE1 4.37Å; M404-F434 HydrophobicContact SD-CZ 4.24Å; P405-F434 HydrophobicContact CG-CB 4.06Å; P405-F434 HydrophobicContact CG-CD2 4.4Å; P405-F434 HydrophobicContact CG-CG 4.16Å; P409-F434 HydrophobicContact CB-CD1 3.68Å; P409-F434 HydrophobicContact CB-CE1 4.08Å; P409-F434 HydrophobicContact CG-CB 4.33Å; P409-F434 HydrophobicContact CG-CD1 3.34Å; P409-F434 HydrophobicContact CG-CE1 3.83Å; P409-F434 HydrophobicContact CG-CG 3.98Å; E430-F434 VanDerWaalsContact O-CB 3.27Å; E430-F434 WeakPolarHBondContact O-CB 3.14Å; E430-F434 PolarHBondContact O-N 2.74Å; V431-F434 PolarHBondContact O-N 2.78Å; F434-R436 VanDerWaalsContact C-N 3.29Å; F434-R436 PolarHBondContact O-N 3.19Å; F434-S437 PolarHBondContact O-N 2.89Å; F434-S437 PolarHBondContact O-OG 2.8Å; F434-H438 HydrophobicContact CD1-CB 3.97Å; F434-H438 AromaticContact CD2-ND1 3.78Å; F434-H438 HydrophobicContact CE1-CB 3.57Å; F434-H438 AromaticContact CE1-CG 3.92Å; F434-H438 AromaticContact CE2-ND1 3.79Å; F434-H438 AromaticContact CG-ND1 3.97Å; F434-H438 HydrophobicContact CZ-CB 3.9Å; F434-H438 AromaticContact CZ-CG 3.78Å; F434-H438 AromaticContact CZ-ND1 4Å; F434-H438 WeakPolarHBondContact O-CB 3.34Å; F434-H438 PolarHBondContact O-N 3.26Å; F434-H438 PolarHBondContact O-ND1 3.13Å
435	M	95.4	Very high	95.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-56.8	-41.2	177.9	-78.1	-64.8	-49.2	0	0	112.6	S315 T316 F317 L318 P409 G410 V431 I432 S437	S315-M435 WeakPolarHBondContact O-CE 3.41Å; S315-M435 VanDerWaalsContact O-CG 3.23Å; S315-M435 WeakPolarHBondContact O-CG 3.4Å; T316-M435 VanDerWaalsContact C-CE 3.41Å; F317-M435 WeakPolarHBondContact O-CE 3.43Å; L318-M435 HydrophobicContact CD2-CE 3.57Å; L318-M435 HydrophobicContact CD2-SD 3.87Å; L318-M435 HydrophobicContact CG-CE 4.01Å; L318-M435 HydrophobicContact CG-SD 4.5Å; P409-M435 VanDerWaalsContact CA-SD 3.57Å; P409-M435 HydrophobicContact CB-CG 3.79Å; P409-M435 HydrophobicContact CB-SD 3.29Å; P409-M435 WeakPolarHBondContact CB-SD 3.38Å; G410-M435 PolarHBondContact N-SD 3.2Å; V431-M435 WeakPolarHBondContact O-CB 3.41Å; V431-M435 WeakPolarHBondContact O-CG 3.49Å; V431-M435 PolarHBondContact O-N 2.95Å; I432-M435 PolarHBondContact O-N 3.24Å; M435-S437 PolarHBondContact O-N 3.45Å
436	R	94.8	Very high	95.9	Very high	108 Å²	108	45.1 Å²	45.1	41%	0.408	22%	0.223	S	C	.	.	H	α-helix	trans	-61.4	-33.8	177.8	-171.9	173.4	-178.3	-160.1	-4.7	113.5	D246 W252 L310 I432 N433 F434	D246-R436 IonicContact OD2-CZ 3.31Å; D246-R436 IonicContact OD2-NE 2.87Å; D246-R436 PolarHBondContact OD2-NE 3.35Å; D246-R436 IonicContact OD2-NH2 3.79Å; W252-R436 PolarHBondContact NE1-O 2.91Å; L310-R436 HydrophobicContact CD1-CB 4.1Å; L310-R436 HydrophobicContact CD2-CB 4.28Å; L310-R436 HydrophobicContact CD2-CG 3.99Å; L310-R436 HydrophobicContact CG-CB 4.38Å; I432-R436 PolarHBondContact O-N 2.71Å; N433-R436 PolarHBondContact O-N 3.22Å; F434-R436 VanDerWaalsContact C-N 3.29Å; F434-R436 PolarHBondContact O-N 3.19Å
437	S	93.1	Very high	96	Very high	51 Å²	51	41.1 Å²	41.1	36%	0.357	20%	0.202	S	C	.	.	H	α-helix	trans	-97.2	-23.5	-174.2	47.6	0	0	0	0	113.9	N433 F434 M435 P439	N433-S437 PolarHBondContact O-N 3.02Å; N433-S437 PolarHBondContact O-OG 3.05Å; F434-S437 PolarHBondContact O-N 2.89Å; F434-S437 PolarHBondContact O-OG 2.8Å; M435-S437 PolarHBondContact O-N 3.45Å; S437-P439 VanDerWaalsContact C-CD 3.41Å; S437-P439 WeakPolarHBondContact O-CD 3.33Å
438	H	94.9	Very high	95.9	Very high	22 Å²	22	44.1 Å²	44.1	10%	0.102	22%	0.219	C	C	.	.			trans	-127	57	-173.4	-56.5	85.1	0	0	0	113.6	F387 H389 F434 L440	F387-H438 HydrophobicContact CB-CB 4.3Å; F387-H438 HydrophobicContact CD1-CB 4.34Å; F387-H438 WeakPolarHBondContact CD1-O 3.43Å; H389-H438 AromaticContact CE1-NE2 3.69Å; H389-H438 AromaticContact CG-NE2 3.88Å; H389-H438 AromaticContact ND1-CD2 3.68Å; H389-H438 AromaticContact ND1-CE1 3.99Å; H389-H438 AromaticContact ND1-NE2 2.87Å; H389-H438 PolarHBondContact ND1-NE2 3.48Å; F434-H438 HydrophobicContact CD1-CB 3.97Å; F434-H438 AromaticContact CD2-ND1 3.78Å; F434-H438 HydrophobicContact CE1-CB 3.57Å; F434-H438 AromaticContact CE1-CG 3.92Å; F434-H438 AromaticContact CE2-ND1 3.79Å; F434-H438 AromaticContact CG-ND1 3.97Å; F434-H438 HydrophobicContact CZ-CB 3.9Å; F434-H438 AromaticContact CZ-CG 3.78Å; F434-H438 AromaticContact CZ-ND1 4Å; F434-H438 WeakPolarHBondContact O-CB 3.34Å; F434-H438 PolarHBondContact O-N 3.26Å; F434-H438 PolarHBondContact O-ND1 3.13Å; H438-L440 VanDerWaalsContact C-N 3.26Å; H438-L440 PolarHBondContact O-N 3.16Å
439	P	96	Very high	95.6	Very high	3 Å²	3	49 Å²	49	2%	0.019	24%	0.237	C	C	.	.			trans	-73.5	-15.4	177.2	31.8	-37.5	0	0	0	113.5	R251 W252 F317 L318 K319 S437	R251-P439 HydrophobicContact CB-CG 4.07Å; R251-P439 VanDerWaalsContact O-CG 3.3Å; R251-P439 WeakPolarHBondContact O-CG 3.42Å; W252-P439 HydrophobicContact CG-CG 4.29Å; F317-P439 HydrophobicContact CD1-CB 4.17Å; F317-P439 HydrophobicContact CE1-CB 4.38Å; L318-P439 CarbonylContact C-O 3.55Å; L318-P439 VanDerWaalsContact CA-O 3.31Å; L318-P439 WeakPolarHBondContact CA-O 3.47Å; K319-P439 PolarHBondContact N-O 3.29Å; S437-P439 VanDerWaalsContact C-CD 3.41Å; S437-P439 WeakPolarHBondContact O-CD 3.33Å
440	L	96.6	Very high	95.5	Very high	9 Å²	9	52.5 Å²	52.5	5%	0.047	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-97.7	132.8	-172.8	176.9	65.7	0	0	0	111.8	E285 K319 A388 W397 H438	E285-L440 HydrophobicContact CG-CD2 3.75Å; E285-L440 WeakPolarHBondContact OE1-CD2 3.27Å; K319-L440 HydrophobicContact CG-CD1 4.11Å; K319-L440 CarbonylContact O-C 3.55Å; K319-L440 WeakPolarHBondContact O-CA 3.49Å; A388-L440 HydrophobicContact CB-CB 4.2Å; A388-L440 HydrophobicContact CB-CD2 3.87Å; A388-L440 HydrophobicContact CB-CG 3.83Å; A388-L440 WeakPolarHBondContact CB-O 3.24Å; A388-L440 PolarHBondContact N-O 3.04Å; W397-L440 HydrophobicContact CH2-CD2 4.1Å; W397-L440 HydrophobicContact CZ3-CD2 4.15Å; H438-L440 VanDerWaalsContact C-N 3.26Å; H438-L440 PolarHBondContact O-N 3.16Å
441	M	97.8	Very high	95.4	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-80.2	142.5	170	-52.7	-46.9	-60.5	0	0	111.1	L318 K319 A320 V382 F383 G385 F387	L318-M441 HydrophobicContact CD1-SD 4.1Å; L318-M441 HydrophobicContact CD2-SD 4.48Å; K319-M441 WeakPolarHBondContact O-CG 3.41Å; K319-M441 PolarHBondContact O-N 2.58Å; A320-M441 HydrophobicContact CB-CB 4.01Å; A320-M441 HydrophobicContact CB-CG 4.06Å; V382-M441 HydrophobicContact CG1-CB 4.12Å; V382-M441 HydrophobicContact CG1-CG 4.5Å; V382-M441 WeakPolarHBondContact O-CE 3.48Å; F383-M441 HydrophobicContact CD1-CG 3.76Å; F383-M441 HydrophobicContact CD1-SD 4.24Å; F383-M441 HydrophobicContact CE1-CG 4.21Å; F383-M441 WeakPolarHBondContact O-CE 3.38Å; G385-M441 WeakPolarHBondContact O-CE 3.43Å; F387-M441 HydrophobicContact CD1-CE 4.08Å; F387-M441 HydrophobicContact CD1-SD 3.78Å; F387-M441 HydrophobicContact CE1-CE 4.07Å; F387-M441 HydrophobicContact CE1-SD 3.73Å; F387-M441 HydrophobicContact CG-CE 4.37Å; F387-M441 HydrophobicContact CZ-CE 4.35Å; F387-M441 HydrophobicContact CZ-SD 4.5Å
442	Y	95.6	Very high	95.4	Very high	106 Å²	106	54.5 Å²	54.5	42%	0.416	25%	0.249	S	C	.	.	S	Bend	trans	-75.3	-38.8	-179.9	179.1	-102.3	0	0	0	112.6	P386 P399	P386-Y442 HydrophobicContact CG-CD1 4.39Å; P386-Y442 WeakPolarHBondContact O-CB 3.31Å; P386-Y442 PolarHBondContact O-N 3.06Å; P399-Y442 HydrophobicContact CB-CD1 3.77Å; P399-Y442 HydrophobicContact CB-CD2 4.42Å; P399-Y442 HydrophobicContact CB-CE1 4.11Å; P399-Y442 HydrophobicContact CB-CG 3.94Å; P399-Y442 HydrophobicContact CG-CD1 4.28Å; P399-Y442 HydrophobicContact CG-CE1 4.1Å
443	Q	97.1	Very high	95.3	Very high	87 Å²	87	56.6 Å²	56.6	41%	0.407	26%	0.26	S	S	.	.	S	Bend	trans	-77.9	144.7	177.1	-70.5	177.6	-21.7	0	0	110.8	V382 P386	V382-Q443 HydrophobicContact CG1-CB 4.23Å; V382-Q443 WeakPolarHBondContact CG1-O 3.24Å; V382-Q443 HydrophobicContact CG2-CB 4.23Å; P386-Q443 HydrophobicContact CG-CG 4.36Å
444	A	97	Very high	95.4	Very high	28 Å²	28	53.1 Å²	53.1	23%	0.231	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-94.3	149.9	172.3	0	0	0	0	0	111.2	R321 V323 Y446	R321-A444 HydrophobicContact CB-CB 4.01Å; R321-A444 HydrophobicContact CG-CB 4.47Å; V323-A444 HydrophobicContact CG2-CB 3.62Å; A444-Y446 HydrophobicContact CB-CE2 4.18Å
445	V	98.6	Very high	95.3	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-85.8	117.2	172	-175.6	0	0	0	0	108.1	I296 A320 R321 L322 V323 Y374 I379 V382	I296-V445 HydrophobicContact CG2-CG2 4.39Å; A320-V445 HydrophobicContact CB-CG2 4.24Å; R321-V445 PolarHBondContact O-N 3.03Å; L322-V445 HydrophobicContact CD2-CB 3.95Å; L322-V445 HydrophobicContact CD2-CG1 4Å; V323-V445 PolarHBondContact N-O 2.98Å; Y374-V445 HydrophobicContact CD1-CG1 3.8Å; Y374-V445 HydrophobicContact CE1-CG1 4.4Å; I379-V445 HydrophobicContact CG1-CG1 3.65Å; I379-V445 HydrophobicContact CG1-CG2 4.29Å; V382-V445 HydrophobicContact CB-CG2 3.87Å; V382-V445 HydrophobicContact CG1-CG2 3.91Å; V382-V445 HydrophobicContact CG2-CG2 3.85Å
446	Y	97.9	Very high	95.2	Very high	66 Å²	66	53.5 Å²	53.5	26%	0.259	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-94.8	155.3	174.6	-80.6	-95	0	0	0	110.8	V323 Y374 A444 R450	V323-Y446 HydrophobicContact CB-CD1 4.23Å; V323-Y446 HydrophobicContact CB-CE1 4.18Å; V323-Y446 HydrophobicContact CG1-CD1 3.92Å; V323-Y446 HydrophobicContact CG1-CE1 3.6Å; Y374-Y446 WeakPolarHBondContact CD1-O 3.43Å; A444-Y446 HydrophobicContact CB-CE2 4.18Å; Y446-R450 HydrophobicContact CD1-CB 4.44Å; Y446-R450 HydrophobicContact CD1-CG 4.32Å; Y446-R450 HydrophobicContact CG-CG 4.4Å
447	P	97.6	Very high	94.9	Very high	6 Å²	6	50.5 Å²	50.5	4%	0.039	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-74	167	177.2	34.1	-33	0	0	0	110.1	V323 C372 V373 Y374 Q449 R450	V323-P447 VanDerWaalsContact O-CD 3.29Å; V323-P447 WeakPolarHBondContact O-CD 3.2Å; C372-P447 HydrophobicContact CB-CB 3.9Å; C372-P447 HydrophobicContact CB-CG 4.43Å; V373-P447 CarbonylContact O-C 3.6Å; V373-P447 WeakPolarHBondContact O-CA 3.24Å; V373-P447 VanDerWaalsContact O-CB 3.26Å; V373-P447 WeakPolarHBondContact O-CB 3.48Å; Y374-P447 HydrophobicContact CD1-CB 4.24Å; Y374-P447 HydrophobicContact CE1-CB 3.98Å; P447-Q449 PolarHBondContact O-N 2.89Å; P447-R450 WeakPolarHBondContact O-CA 3.03Å; P447-R450 PolarHBondContact O-N 2.72Å
448	L	94.1	Very high	94.6	Very high	77 Å²	77	51.4 Å²	51.4	40%	0.403	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-49.8	135.4	169.8	-66.5	-179.7	0	0	0	109.6	V373 R450	V373-L448 HydrophobicContact CB-CD1 4.19Å; V373-L448 HydrophobicContact CG1-CD1 3.71Å; V373-L448 HydrophobicContact CG1-CG 4.39Å; V373-L448 PolarHBondContact O-N 3.29Å; L448-R450 PolarHBondContact O-N 3.23Å
449	Q	89.4	Confident	94.3	Very high	160 Å²	160	50.8 Å²	50.8	75%	0.748	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	59.3	11.4	-176.5	-54.1	174.5	-16.8	0	0	115.1	P447 R451	P447-Q449 PolarHBondContact O-N 2.89Å; Q449-R451 PolarHBondContact O-N 3.48Å; Q449-R451 VanDerWaalsContact O-N 3.15Å
450	R	93.3	Very high	94	Very high	162 Å²	162	55.2 Å²	55.2	61%	0.611	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	53	27.7	-177.3	-60.8	-167.3	171.7	-162.9	-1.3	114.4	Y446 P447 L448	Y446-R450 HydrophobicContact CD1-CB 4.44Å; Y446-R450 HydrophobicContact CD1-CG 4.32Å; Y446-R450 HydrophobicContact CG-CG 4.4Å; P447-R450 WeakPolarHBondContact O-CA 3.03Å; P447-R450 PolarHBondContact O-N 2.72Å; L448-R450 PolarHBondContact O-N 3.23Å
451	R	92.6	Very high	93.8	Very high	138 Å²	138	56.1 Å²	56.1	52%	0.521	29%	0.286	S	S	.	.	S	Bend	trans	-140.7	157.1	177.9	-65.5	-179.1	-178.7	-101.8	0.1	109.9	P327 Q449	P327-R451 HydrophobicContact CG-CG 4.13Å; P327-R451 VanDerWaalsContact CG-CZ 3.4Å; Q449-R451 PolarHBondContact O-N 3.48Å; Q449-R451 VanDerWaalsContact O-N 3.15Å
452	P	95.6	Very high	93.6	Very high	22 Å²	22	60.7 Å²	60.7	14%	0.143	30%	0.304	C	S	.	.			trans	-72.3	150.7	174.2	-12.6	30.8	0	0	0	110.8	S325 V326 A370 V371 V455	S325-P452 VanDerWaalsContact O-CD 3.31Å; S325-P452 WeakPolarHBondContact O-CD 3.45Å; V326-P452 HydrophobicContact CG2-CG 3.77Å; A370-P452 HydrophobicContact CB-CB 4.01Å; A370-P452 HydrophobicContact CB-CG 4.24Å; V371-P452 CarbonylContact O-C 3.52Å; P452-V455 HydrophobicContact CB-CG2 3.75Å; P452-V455 HydrophobicContact CG-CG2 3.88Å
453	L	95	Very high	93.7	Very high	46 Å²	46	55.7 Å²	55.7	24%	0.241	28%	0.284	C	S	.	.	S	Bend	trans	-75.4	-37.4	175.1	-177.6	65.4	0	0	0	112	Y356 V371 V373 L481 V495	Y356-L453 HydrophobicContact CE1-CD2 4.16Å; V371-L453 PolarHBondContact O-N 3.3Å; V373-L453 HydrophobicContact CG2-CB 3.98Å; V373-L453 HydrophobicContact CG2-CD2 3.7Å; V373-L453 HydrophobicContact CG2-CG 4.42Å; L453-L481 HydrophobicContact CD2-CD1 4.2Å; L453-L481 HydrophobicContact CD2-CD2 3.94Å; L453-V495 HydrophobicContact CD1-CB 3.85Å; L453-V495 HydrophobicContact CD1-CG1 3.82Å; L453-V495 HydrophobicContact CD1-CG2 3.97Å; L453-V495 HydrophobicContact CG-CB 4.36Å; L453-V495 HydrophobicContact CG-CG2 3.94Å
454	V	95.2	Very high	93.7	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.7	178.9	175.6	0	0	0	0	108.5	A370 V371 L481 L483 V493 V495 E505	A370-V454 CarbonylContact C-O 3.51Å; A370-V454 WeakPolarHBondContact CA-O 3.01Å; V371-V454 HydrophobicContact CB-CB 4Å; V371-V454 HydrophobicContact CG2-CB 3.99Å; V371-V454 HydrophobicContact CG2-CG1 4.5Å; V371-V454 PolarHBondContact N-O 3.24Å; V371-V454 PolarHBondContact O-N 2.67Å; V454-L481 HydrophobicContact CG2-CD2 4.41Å; V454-L483 HydrophobicContact CG1-CD1 4.16Å; V454-V493 HydrophobicContact CG2-CG1 4.31Å; V454-V495 HydrophobicContact CG2-CG2 4.02Å; V454-E505 HydrophobicContact CG2-CG 4.46Å
455	V	94.2	Very high	93.8	Very high	26 Å²	26	51.5 Å²	51.5	16%	0.158	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.8	175.9	-175.2	0	0	0	0	110.2	V326 F336 P452 T457	V326-V455 HydrophobicContact CG2-CG2 4Å; F336-V455 HydrophobicContact CZ-CG1 4.04Å; P452-V455 HydrophobicContact CB-CG2 3.75Å; P452-V455 HydrophobicContact CG-CG2 3.88Å; V455-T457 HydrophobicContact CG1-CG2 3.85Å
456	R	92.6	Very high	93.8	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.011	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	113.9	172.9	-64	-68.2	178.9	-92.3	-3.6	108.4	G368 S369 A459 Y461 L463 E505	G368-R456 CarbonylContact C-O 3.56Å; G368-R456 WeakPolarHBondContact CA-O 3.21Å; S369-R456 PolarHBondContact N-O 2.88Å; S369-R456 PolarHBondContact O-N 3.08Å; R456-A459 HydrophobicContact CB-CB 4.35Å; R456-Y461 HydrophobicContact CG-CE2 4.28Å; R456-L463 HydrophobicContact CG-CD1 4.33Å; R456-E505 IonicContact CZ-OE1 3.13Å; R456-E505 IonicContact CZ-OE2 2.95Å; R456-E505 IonicContact NH1-OE1 3.44Å; R456-E505 PolarHBondContact NH1-OE1 2.94Å; R456-E505 IonicContact NH1-OE2 3.86Å; R456-E505 PolarHBondContact NH1-OE2 3.44Å; R456-E505 IonicContact NH2-OE1 2.83Å; R456-E505 PolarHBondContact NH2-OE1 2.93Å; R456-E505 IonicContact NH2-OE2 2.56Å
457	T	89.9	Confident	93.8	Very high	44 Å²	44	48.3 Å²	48.3	27%	0.27	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.2	176.9	52.6	0	0	0	0	110.1	F366 V455 A459	F366-T457 HydrophobicContact CE2-CG2 3.99Å; F366-T457 HydrophobicContact CZ-CG2 3.55Å; V455-T457 HydrophobicContact CG1-CG2 3.85Å; T457-A459 PolarHBondContact O-N 3.07Å; T457-A459 VanDerWaalsContact O-N 3.11Å
458	G	85.6	Confident	93.8	Very high	70 Å²	70	48 Å²	48	72%	0.722	25%	0.247	S	C	*	.	S	Bend	trans	67.9	9.1	177.8	0	0	0	0	0	115	R367	R367-G458 PolarHBondContact O-N 3.47Å
459	A	88.3	Confident	94	Very high	10 Å²	10	44.8 Å²	44.8	8%	0.083	23%	0.23	C	C	.	.			trans	-66.4	147.6	177	0	0	0	0	0	111.3	R456 T457 Y461	R456-A459 HydrophobicContact CB-CB 4.35Å; T457-A459 PolarHBondContact O-N 3.07Å; T457-A459 VanDerWaalsContact O-N 3.11Å; A459-Y461 HydrophobicContact CB-CD1 4.27Å; A459-Y461 HydrophobicContact CB-CD2 4.18Å; A459-Y461 HydrophobicContact CB-CE1 4.03Å; A459-Y461 HydrophobicContact CB-CE2 3.92Å; A459-Y461 HydrophobicContact CB-CG 4.33Å; A459-Y461 PolarHBondContact O-N 3.23Å
460	P	89.6	Confident	94.3	Very high	95 Å²	95	39.2 Å²	39.2	62%	0.617	20%	0.204	S	C	*	.	S	Bend	trans	-75.3	9.2	178.4	32.8	-36.4	0	0	0	113.6	R487	P460-R487 PolarHBondContact O-NE 2.81Å; P460-R487 PolarHBondContact O-NH2 2.83Å
461	Y	92.3	Very high	94.4	Very high	29 Å²	29	32 Å²	32	11%	0.114	18%	0.178	C	C	.	.	S	Bend	trans	-140.4	162.9	-178	57.5	-102.3	0	0	0	110.1	R456 A459 L463 T485 D486 Q491	R456-Y461 HydrophobicContact CG-CE2 4.28Å; A459-Y461 HydrophobicContact CB-CD1 4.27Å; A459-Y461 HydrophobicContact CB-CD2 4.18Å; A459-Y461 HydrophobicContact CB-CE1 4.03Å; A459-Y461 HydrophobicContact CB-CE2 3.92Å; A459-Y461 HydrophobicContact CB-CG 4.33Å; A459-Y461 PolarHBondContact O-N 3.23Å; Y461-L463 HydrophobicContact CE2-CD2 4.3Å; Y461-T485 HydrophobicContact CD2-CG2 3.96Å; Y461-T485 HydrophobicContact CE2-CG2 4.45Å; Y461-T485 HydrophobicContact CG-CG2 4.33Å; Y461-D486 WeakPolarHBondContact CA-OD1 3.08Å; Y461-D486 WeakPolarHBondContact CB-OD1 3.17Å; Y461-Q491 VanDerWaalsContact CE2-NE2 3.27Å; Y461-Q491 PolarHBondContact OH-NE2 2.86Å
462	R	94.8	Very high	94.4	Very high	98 Å²	98	30 Å²	30	37%	0.37	18%	0.177	S	C	.	.			trans	-117.3	145.6	169.4	-65.7	174.1	174.6	156.3	-6.4	109.7	T360 T485 D486	T360-R462 HydrophobicContact CG2-CB 4.35Å; R462-T485 CarbonylContact O-C 3.6Å; R462-T485 VanDerWaalsContact O-CA 3.26Å; R462-T485 WeakPolarHBondContact O-CA 3.46Å; R462-D486 HydrophobicContact CB-CB 4.48Å; R462-D486 VanDerWaalsContact N-CG 3.28Å; R462-D486 PolarHBondContact N-OD1 2.92Å; R462-D486 PolarHBondContact N-OD2 2.64Å; R462-D486 PolarHBondContact O-N 2.83Å
463	L	97.5	Very high	94.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.3	170.5	-57.4	-178.9	0	0	0	109.3	V358 S369 V371 R456 Y461 L483 G484 T485	V358-L463 HydrophobicContact CG1-CB 3.63Å; S369-L463 PolarHBondContact OG-N 2.62Å; V371-L463 HydrophobicContact CG2-CD1 3.97Å; R456-L463 HydrophobicContact CG-CD1 4.33Å; Y461-L463 HydrophobicContact CE2-CD2 4.3Å; L463-L483 HydrophobicContact CD1-CD1 4.09Å; L463-L483 HydrophobicContact CD2-CB 4.06Å; L463-L483 HydrophobicContact CD2-CD1 4.48Å; L463-G484 WeakPolarHBondContact CA-O 3.3Å; L463-T485 HydrophobicContact CD2-CG2 4.29Å
464	T	97.8	Very high	93.9	Very high	24 Å²	24	30 Å²	30	15%	0.147	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-34.6	-178.1	60.1	0	0	0	0	113.1	D341 G484 D486 V520	D341-T464 WeakPolarHBondContact CB-O 3.49Å; T464-G484 PolarHBondContact N-O 3.03Å; T464-G484 PolarHBondContact OG1-O 2.93Å; T464-D486 HydrophobicContact CG2-CB 3.94Å; T464-V520 VanDerWaalsContact CB-O 3.31Å; T464-V520 WeakPolarHBondContact CB-O 3.23Å; T464-V520 PolarHBondContact OG1-O 2.67Å
465	T	98.4	Very high	93.7	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.1	-170.8	47.7	0	0	0	0	111.6	D341 L483 G484 V520 M523	D341-T465 WeakPolarHBondContact OD2-CA 3.42Å; D341-T465 WeakPolarHBondContact OD2-CB 3.44Å; T465-L483 WeakPolarHBondContact O-CA 3.36Å; T465-G484 PolarHBondContact O-N 3.41Å; T465-G484 WeakPolarHBondContact OG1-CA 3.44Å; T465-V520 HydrophobicContact CG2-CG1 4.3Å; T465-V520 VanDerWaalsContact OG1-CG1 3.31Å; T465-V520 WeakPolarHBondContact OG1-CG1 3.47Å; T465-M523 PolarHBondContact OG1-SD 3.07Å
466	V	98.6	Very high	93.5	Very high	1 Å²	1	34 Å²	34	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.2	176.7	59.4	0	0	0	0	111.3	D341 F343 V358 V468 F482 L483	D341-V466 PolarHBondContact OD2-N 3.31Å; F343-V466 HydrophobicContact CB-CG1 3.85Å; V358-V466 HydrophobicContact CG2-CB 3.58Å; V358-V466 HydrophobicContact CG2-CG1 3.6Å; V466-V468 HydrophobicContact CG2-CG2 4.03Å; V466-F482 CarbonylContact C-O 3.51Å; V466-F482 WeakPolarHBondContact CA-O 3.4Å; V466-L483 HydrophobicContact CB-CD2 4.05Å; V466-L483 HydrophobicContact CG2-CD2 3.77Å
467	A	98.3	Very high	93.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.9	162.5	0	0	0	0	0	108.9	F343 F482 M523 I525 L532	F343-A467 HydrophobicContact CD2-CB 4.31Å; F343-A467 HydrophobicContact CE2-CB 4.18Å; A467-F482 HydrophobicContact CB-CB 4.4Å; A467-F482 PolarHBondContact N-O 2.83Å; A467-F482 PolarHBondContact O-N 2.81Å; A467-M523 HydrophobicContact CB-CE 4.11Å; A467-I525 HydrophobicContact CB-CB 4.15Å; A467-I525 HydrophobicContact CB-CG2 4.16Å; A467-L532 HydrophobicContact CB-CD1 4.02Å
468	V	97.9	Very high	93.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.5	-178.5	-173.6	0	0	0	0	109.6	F343 Y356 V466 E479 V480 L481	F343-V468 HydrophobicContact CD1-CB 3.94Å; F343-V468 HydrophobicContact CD1-CG2 3.97Å; F343-V468 HydrophobicContact CE1-CB 3.77Å; F343-V468 HydrophobicContact CE1-CG2 4.32Å; F343-V468 WeakPolarHBondContact CZ-O 3.4Å; Y356-V468 HydrophobicContact CD1-CG2 3.83Å; Y356-V468 HydrophobicContact CD2-CG2 3.86Å; Y356-V468 HydrophobicContact CE1-CG1 4.46Å; Y356-V468 HydrophobicContact CE1-CG2 4.09Å; Y356-V468 HydrophobicContact CE2-CB 4.44Å; Y356-V468 HydrophobicContact CE2-CG1 4.3Å; Y356-V468 HydrophobicContact CE2-CG2 4.12Å; Y356-V468 HydrophobicContact CG-CG2 3.72Å; V466-V468 HydrophobicContact CG2-CG2 4.03Å; V468-E479 HydrophobicContact CG1-CB 4.43Å; V468-V480 WeakPolarHBondContact CA-O 3.34Å; V468-L481 HydrophobicContact CG2-CG 4.37Å
469	D	97.4	Very high	94.3	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.048	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.4	167.5	-161.1	22.1	0	0	0	111.4	V471 V480 F482 I525 S527 Y565	D469-V471 HydrophobicContact CB-CG2 4.19Å; D469-V480 PolarHBondContact N-O 3Å; D469-V480 PolarHBondContact O-N 2.7Å; D469-F482 HydrophobicContact CB-CE2 4.35Å; D469-I525 HydrophobicContact CB-CD1 3.8Å; D469-S527 WeakPolarHBondContact OD1-CB 3.46Å; D469-S527 PolarHBondContact OD1-OG 3Å; D469-Y565 VanDerWaalsContact CB-OH 3.22Å; D469-Y565 WeakPolarHBondContact CB-OH 3.41Å; D469-Y565 PolarHBondContact OD2-OH 2.68Å
470	Q	95.5	Very high	94.7	Very high	42 Å²	42	40.2 Å²	40.2	20%	0.196	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	105.8	177.7	-70.9	-73.7	-21.5	0	0	109.2	E479	Q470-E479 VanDerWaalsContact NE2-CG 3.32Å; Q470-E479 PolarHBondContact NE2-OE1 3.26Å
471	V	95.1	Very high	95.2	Very high	12 Å²	12	35.8 Å²	35.8	7%	0.073	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.6	-165.7	-170.3	0	0	0	0	110.4	D469 R477 Y478 V480 P564 Y565	D469-V471 HydrophobicContact CB-CG2 4.19Å; V471-R477 CarbonylContact O-C 3.55Å; V471-R477 WeakPolarHBondContact O-CA 3.26Å; V471-Y478 PolarHBondContact N-O 2.88Å; V471-Y478 PolarHBondContact O-N 2.04Å; V471-V480 HydrophobicContact CB-CG2 4.35Å; V471-V480 HydrophobicContact CG2-CB 4.38Å; V471-V480 HydrophobicContact CG2-CG2 3.69Å; V471-P564 HydrophobicContact CB-CB 4.16Å; V471-P564 HydrophobicContact CG1-CB 3.95Å; V471-Y565 HydrophobicContact CB-CE1 4.45Å; V471-Y565 HydrophobicContact CG1-CD1 3.85Å; V471-Y565 HydrophobicContact CG1-CD2 4.4Å; V471-Y565 HydrophobicContact CG1-CE1 3.91Å; V471-Y565 HydrophobicContact CG1-CE2 4.47Å; V471-Y565 HydrophobicContact CG1-CG 4.13Å; V471-Y565 HydrophobicContact CG2-CD1 4.33Å; V471-Y565 HydrophobicContact CG2-CD2 4.32Å; V471-Y565 HydrophobicContact CG2-CE1 3.6Å; V471-Y565 HydrophobicContact CG2-CE2 3.62Å; V471-Y565 VanDerWaalsContact CG2-OH 3.29Å; V471-Y565 WeakPolarHBondContact CG2-OH 3.29Å
472	D	92.6	Very high	95.5	Very high	94 Å²	94	34.6 Å²	34.6	50%	0.503	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.2	172.1	-59.3	-36.4	0	0	0	110	R477 Y576	D472-R477 WeakPolarHBondContact OD1-CG 3.22Å; D472-R477 IonicContact OD1-CZ 3.28Å; D472-R477 IonicContact OD1-NE 2.86Å; D472-R477 PolarHBondContact OD1-NE 2.81Å; D472-Y576 WeakPolarHBondContact O-CD1 3.43Å; D472-Y576 VanDerWaalsContact O-CE1 3.23Å; D472-Y576 WeakPolarHBondContact O-CE1 3.1Å
473	A	92.6	Very high	95.6	Very high	9 Å²	9	29.9 Å²	29.9	7%	0.074	16%	0.162	C	C	.	.			trans	-121.5	179.7	175.1	0	0	0	0	0	110.5	D475 G476 Y478 P564 Y576 V589	A473-D475 VanDerWaalsContact C-N 3.27Å; A473-D475 PolarHBondContact O-N 2.95Å; A473-G476 WeakPolarHBondContact CA-O 3.31Å; A473-G476 PolarHBondContact N-O 2.83Å; A473-Y478 HydrophobicContact CB-CD2 3.69Å; A473-Y478 HydrophobicContact CB-CE2 3.75Å; A473-P564 HydrophobicContact CB-CB 4.23Å; A473-Y576 PolarHBondContact O-OH 2.84Å; A473-V589 HydrophobicContact CB-CG2 4.04Å
474	A	88.9	Confident	95.7	Very high	61 Å²	61	29.9 Å²	29.9	50%	0.504	16%	0.162	S	C	.	.	S	Bend	trans	-62.1	-31.1	-177.5	0	0	0	0	0	114.4	Y576 Q587	A474-Y576 HydrophobicContact CB-CE2 3.97Å; A474-Q587 HydrophobicContact CB-CB 4.08Å
475	D	89.1	Confident	95.7	Very high	76 Å²	76	28.8 Å²	28.8	41%	0.406	16%	0.155	S	C	.	.	S	Bend	trans	-107.8	-6.2	-173.5	52.9	-19.2	0	0	0	114.1	A473 Y478 R590	A473-D475 VanDerWaalsContact C-N 3.27Å; A473-D475 PolarHBondContact O-N 2.95Å; D475-Y478 VanDerWaalsContact OD1-CE2 3.31Å; D475-Y478 WeakPolarHBondContact OD1-CE2 3.42Å; D475-Y478 PolarHBondContact OD1-OH 2.95Å; D475-Y478 PolarHBondContact OD2-OH 3.48Å; D475-R590 PolarHBondContact OD2-N 2.94Å
476	G	90.9	Very high	95.6	Very high	34 Å²	34	30.8 Å²	30.8	35%	0.351	17%	0.166	S	C	.	.	S	Bend	trans	157.5	-163.3	177.9	0	0	0	0	0	112.6	A473	A473-G476 WeakPolarHBondContact CA-O 3.31Å; A473-G476 PolarHBondContact N-O 2.83Å
477	R	93.1	Very high	95.4	Very high	153 Å²	153	37.8 Å²	37.8	58%	0.577	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	139.2	178.4	-162.5	172.3	-140.7	-162.7	-8.2	110.3	V471 D472	V471-R477 CarbonylContact O-C 3.55Å; V471-R477 WeakPolarHBondContact O-CA 3.26Å; D472-R477 WeakPolarHBondContact OD1-CG 3.22Å; D472-R477 IonicContact OD1-CZ 3.28Å; D472-R477 IonicContact OD1-NE 2.86Å; D472-R477 PolarHBondContact OD1-NE 2.81Å
478	Y	95.2	Very high	95.4	Very high	24 Å²	24	37.9 Å²	37.9	9%	0.094	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143	-175.6	-70.1	-90.8	0	0	0	111.3	V471 A473 D475 L496 P564 V589	V471-Y478 PolarHBondContact N-O 2.88Å; V471-Y478 PolarHBondContact O-N 2.04Å; A473-Y478 HydrophobicContact CB-CD2 3.69Å; A473-Y478 HydrophobicContact CB-CE2 3.75Å; D475-Y478 VanDerWaalsContact OD1-CE2 3.31Å; D475-Y478 WeakPolarHBondContact OD1-CE2 3.42Å; D475-Y478 PolarHBondContact OD1-OH 2.95Å; D475-Y478 PolarHBondContact OD2-OH 3.48Å; Y478-L496 HydrophobicContact CD1-CD2 3.64Å; Y478-L496 HydrophobicContact CE1-CD2 3.42Å; Y478-L496 VanDerWaalsContact CE1-CD2 3.42Å; Y478-P564 HydrophobicContact CD1-CG 4.49Å; Y478-P564 HydrophobicContact CD2-CB 4.29Å; Y478-P564 HydrophobicContact CD2-CG 4.32Å; Y478-P564 HydrophobicContact CG-CB 4.31Å; Y478-P564 HydrophobicContact CG-CG 3.92Å; Y478-V589 HydrophobicContact CD1-CG1 3.76Å; Y478-V589 HydrophobicContact CD2-CG1 4.31Å; Y478-V589 HydrophobicContact CE1-CB 4.12Å; Y478-V589 HydrophobicContact CE1-CG1 3.41Å; Y478-V589 VanDerWaalsContact CE1-CG1 3.41Å; Y478-V589 HydrophobicContact CE2-CB 4.04Å; Y478-V589 HydrophobicContact CE2-CG1 4.03Å; Y478-V589 HydrophobicContact CE2-CG2 4.31Å; Y478-V589 HydrophobicContact CG-CG1 4.19Å
479	E	95.8	Very high	95.4	Very high	80 Å²	80	38.1 Å²	38.1	37%	0.374	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.9	171	-38.5	-162.9	135.9	0	0	108.1	Y356 V468 Q470	Y356-E479 PolarHBondContact OH-OE1 3.29Å; Y356-E479 PolarHBondContact OH-OE2 3.29Å; V468-E479 HydrophobicContact CG1-CB 4.43Å; Q470-E479 VanDerWaalsContact NE2-CG 3.32Å; Q470-E479 PolarHBondContact NE2-OE1 3.26Å
480	V	97.9	Very high	95.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.2	178.1	-172.5	0	0	0	0	109.2	V468 D469 V471 F482 K492 I494 P564 Y565	V468-V480 WeakPolarHBondContact CA-O 3.34Å; D469-V480 PolarHBondContact N-O 3Å; D469-V480 PolarHBondContact O-N 2.7Å; V471-V480 HydrophobicContact CB-CG2 4.35Å; V471-V480 HydrophobicContact CG2-CB 4.38Å; V471-V480 HydrophobicContact CG2-CG2 3.69Å; V480-F482 HydrophobicContact CB-CE2 4.44Å; V480-F482 HydrophobicContact CG1-CE2 4.06Å; V480-F482 HydrophobicContact CG1-CZ 4.08Å; V480-K492 HydrophobicContact CG1-CD 4.42Å; V480-K492 HydrophobicContact CG1-CG 3.77Å; V480-I494 HydrophobicContact CB-CG2 4.23Å; V480-I494 HydrophobicContact CG1-CG2 4.09Å; V480-I494 HydrophobicContact CG2-CG2 3.82Å; V480-P564 HydrophobicContact CG2-CB 4.48Å; V480-P564 HydrophobicContact CG2-CG 3.98Å; V480-Y565 HydrophobicContact CB-CE2 4.13Å; V480-Y565 HydrophobicContact CG1-CE2 4.07Å; V480-Y565 HydrophobicContact CG2-CE2 3.87Å
481	L	98.5	Very high	95.5	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.5	179.3	-64.3	88	0	0	0	110.1	Y356 V371 L453 V454 V468 L483 K492 V493	Y356-L481 HydrophobicContact CD1-CD2 4.47Å; V371-L481 HydrophobicContact CG1-CD2 4.13Å; L453-L481 HydrophobicContact CD2-CD1 4.2Å; L453-L481 HydrophobicContact CD2-CD2 3.94Å; V454-L481 HydrophobicContact CG2-CD2 4.41Å; V468-L481 HydrophobicContact CG2-CG 4.37Å; L481-L483 HydrophobicContact CB-CD2 4.25Å; L481-L483 HydrophobicContact CB-CG 4.37Å; L481-L483 HydrophobicContact CD2-CD2 4.37Å; L481-K492 CarbonylContact O-C 3.5Å; L481-K492 WeakPolarHBondContact O-CA 3.48Å; L481-V493 HydrophobicContact CB-CB 4.42Å; L481-V493 PolarHBondContact N-O 3.09Å; L481-V493 PolarHBondContact O-N 3.2Å
482	F	98.6	Very high	95.7	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115	167.7	-61.3	-88.9	0	0	0	107.9	V466 A467 D469 V480 V490 Q491 K492 M523 I525 L532 L545 Y565	V466-F482 CarbonylContact C-O 3.51Å; V466-F482 WeakPolarHBondContact CA-O 3.4Å; A467-F482 HydrophobicContact CB-CB 4.4Å; A467-F482 PolarHBondContact N-O 2.83Å; A467-F482 PolarHBondContact O-N 2.81Å; D469-F482 HydrophobicContact CB-CE2 4.35Å; V480-F482 HydrophobicContact CB-CE2 4.44Å; V480-F482 HydrophobicContact CG1-CE2 4.06Å; V480-F482 HydrophobicContact CG1-CZ 4.08Å; F482-V490 HydrophobicContact CB-CG1 4.31Å; F482-V490 HydrophobicContact CD1-CG1 4.45Å; F482-Q491 CarbonylContact C-O 3.53Å; F482-Q491 VanDerWaalsContact CA-O 3.31Å; F482-Q491 WeakPolarHBondContact CA-O 3.47Å; F482-K492 HydrophobicContact CD1-CB 4.45Å; F482-K492 HydrophobicContact CD1-CG 4.38Å; F482-K492 HydrophobicContact CE1-CB 4.37Å; F482-K492 HydrophobicContact CE1-CD 4.06Å; F482-K492 HydrophobicContact CE1-CG 3.93Å; F482-K492 HydrophobicContact CZ-CD 4.49Å; F482-K492 HydrophobicContact CZ-CG 4.41Å; F482-M523 HydrophobicContact CB-CE 3.8Å; F482-M523 VanDerWaalsContact O-CE 3.31Å; F482-M523 WeakPolarHBondContact O-CE 3.39Å; F482-I525 HydrophobicContact CD2-CD1 4.01Å; F482-I525 HydrophobicContact CE2-CD1 3.94Å; F482-L532 HydrophobicContact CB-CD1 4.48Å; F482-L532 HydrophobicContact CB-CD2 3.96Å; F482-L532 HydrophobicContact CD1-CD2 3.9Å; F482-L532 HydrophobicContact CG-CD2 4.05Å; F482-L545 HydrophobicContact CE1-CD2 4.02Å; F482-L545 HydrophobicContact CE2-CD2 3.84Å; F482-L545 HydrophobicContact CZ-CB 4.07Å; F482-L545 HydrophobicContact CZ-CD2 3.54Å; F482-L545 HydrophobicContact CZ-CG 4.28Å; F482-Y565 HydrophobicContact CZ-CE2 4.29Å
483	L	98.6	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.8	-174.4	-52.4	175.4	0	0	0	110	V371 V454 L463 T465 V466 L481 V490 Q491 V493	V371-L483 HydrophobicContact CG2-CD1 4.27Å; V371-L483 HydrophobicContact CG2-CD2 3.84Å; V454-L483 HydrophobicContact CG1-CD1 4.16Å; L463-L483 HydrophobicContact CD1-CD1 4.09Å; L463-L483 HydrophobicContact CD2-CB 4.06Å; L463-L483 HydrophobicContact CD2-CD1 4.48Å; T465-L483 WeakPolarHBondContact O-CA 3.36Å; V466-L483 HydrophobicContact CB-CD2 4.05Å; V466-L483 HydrophobicContact CG2-CD2 3.77Å; L481-L483 HydrophobicContact CB-CD2 4.25Å; L481-L483 HydrophobicContact CB-CG 4.37Å; L481-L483 HydrophobicContact CD2-CD2 4.37Å; L483-V490 CarbonylContact O-C 3.52Å; L483-V490 WeakPolarHBondContact O-CA 3.35Å; L483-Q491 HydrophobicContact CB-CB 4.32Å; L483-Q491 PolarHBondContact N-O 3.4Å; L483-Q491 PolarHBondContact O-N 2.82Å; L483-V493 HydrophobicContact CD1-CG2 4.04Å
484	G	98.4	Very high	96.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	150.2	174.9	0	0	0	0	0	112	L463 T464 T465	L463-G484 WeakPolarHBondContact CA-O 3.3Å; T464-G484 PolarHBondContact N-O 3.03Å; T464-G484 PolarHBondContact OG1-O 2.93Å; T465-G484 PolarHBondContact O-N 3.41Å; T465-G484 WeakPolarHBondContact OG1-CA 3.44Å
485	T	97.8	Very high	96.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	161.2	-179.3	74.3	0	0	0	0	113.5	Y461 R462 L463 R487 G488 T489 Q491 V520	Y461-T485 HydrophobicContact CD2-CG2 3.96Å; Y461-T485 HydrophobicContact CE2-CG2 4.45Å; Y461-T485 HydrophobicContact CG-CG2 4.33Å; R462-T485 CarbonylContact O-C 3.6Å; R462-T485 VanDerWaalsContact O-CA 3.26Å; R462-T485 WeakPolarHBondContact O-CA 3.46Å; L463-T485 HydrophobicContact CD2-CG2 4.29Å; T485-R487 PolarHBondContact O-N 3.32Å; T485-R487 PolarHBondContact OG1-N 2.79Å; T485-G488 PolarHBondContact O-N 2.8Å; T485-T489 VanDerWaalsContact CG2-OG1 3.27Å; T485-T489 WeakPolarHBondContact CG2-OG1 3.27Å; T485-T489 PolarHBondContact N-O 3.24Å; T485-T489 PolarHBondContact OG1-N 2.98Å; T485-T489 VanDerWaalsContact OG1-N 3.08Å; T485-T489 PolarHBondContact OG1-O 2.86Å; T485-T489 PolarHBondContact OG1-OG1 3.43Å; T485-Q491 HydrophobicContact CG2-CG 4.42Å; T485-V520 PolarHBondContact O-N 2.86Å
486	D	96.4	Very high	96.4	Very high	46 Å²	46	25.4 Å²	25.4	25%	0.246	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-4.1	171.8	68.7	-13.3	0	0	0	114.1	Y461 R462 T464 P519	Y461-D486 WeakPolarHBondContact CA-OD1 3.08Å; Y461-D486 WeakPolarHBondContact CB-OD1 3.17Å; R462-D486 HydrophobicContact CB-CB 4.48Å; R462-D486 VanDerWaalsContact N-CG 3.28Å; R462-D486 PolarHBondContact N-OD1 2.92Å; R462-D486 PolarHBondContact N-OD2 2.64Å; R462-D486 PolarHBondContact O-N 2.83Å; T464-D486 HydrophobicContact CG2-CB 3.94Å; D486-P519 HydrophobicContact CB-CB 4.43Å; D486-P519 WeakPolarHBondContact O-CA 3.43Å; D486-P519 WeakPolarHBondContact O-CG 3.37Å
487	R	95.6	Very high	96.1	Very high	147 Å²	147	26.3 Å²	26.3	56%	0.555	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-5.7	174.4	-62.7	-63.3	-168	164	3.5	113.8	P460 T485	P460-R487 PolarHBondContact O-NE 2.81Å; P460-R487 PolarHBondContact O-NH2 2.83Å; T485-R487 PolarHBondContact O-N 3.32Å; T485-R487 PolarHBondContact OG1-N 2.79Å
488	G	96.8	Very high	95.4	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.021	12%	0.115	C	C	.	.	S	Bend	trans	82.8	27.9	-175.4	0	0	0	0	0	113.7	T485 V513 A518	T485-G488 PolarHBondContact O-N 2.8Å; G488-V513 WeakPolarHBondContact O-CG2 3.41Å; G488-V513 PolarHBondContact O-N 2.77Å; G488-V513 VanDerWaalsContact O-N 3.07Å; G488-A518 WeakPolarHBondContact CA-O 3.39Å; G488-A518 PolarHBondContact N-O 3.39Å
489	T	97.7	Very high	94.5	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	155.7	169.7	64.5	0	0	0	0	111.2	T485 E510 V511 E512	T485-T489 VanDerWaalsContact CG2-OG1 3.27Å; T485-T489 WeakPolarHBondContact CG2-OG1 3.27Å; T485-T489 PolarHBondContact N-O 3.24Å; T485-T489 PolarHBondContact OG1-N 2.98Å; T485-T489 VanDerWaalsContact OG1-N 3.08Å; T485-T489 PolarHBondContact OG1-O 2.86Å; T485-T489 PolarHBondContact OG1-OG1 3.43Å; T489-E510 HydrophobicContact CG2-CG 4.33Å; T489-E510 PolarHBondContact OG1-OE1 3.09Å; T489-V511 CarbonylContact C-O 3.49Å; T489-V511 WeakPolarHBondContact CA-O 3.46Å; T489-V511 WeakPolarHBondContact CB-O 3.37Å; T489-E512 HydrophobicContact CG2-CG 3.77Å
490	V	98.4	Very high	93.3	Very high	5 Å²	5	33 Å²	33	3%	0.03	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.7	168.1	174.2	0	0	0	0	108.9	F482 L483 E510 V511 V513 M523 L532 V534	F482-V490 HydrophobicContact CB-CG1 4.31Å; F482-V490 HydrophobicContact CD1-CG1 4.45Å; L483-V490 CarbonylContact O-C 3.52Å; L483-V490 WeakPolarHBondContact O-CA 3.35Å; V490-E510 WeakPolarHBondContact O-CA 3.27Å; V490-V511 HydrophobicContact CB-CG2 4.13Å; V490-V511 PolarHBondContact N-O 2.79Å; V490-V511 PolarHBondContact O-N 2.79Å; V490-V513 HydrophobicContact CB-CG1 4.06Å; V490-V513 HydrophobicContact CG2-CG1 3.72Å; V490-V513 HydrophobicContact CG2-CG2 4.41Å; V490-M523 HydrophobicContact CG1-CE 4.49Å; V490-M523 HydrophobicContact CG2-SD 4.03Å; V490-L532 HydrophobicContact CG1-CD2 3.9Å; V490-V534 HydrophobicContact CG2-CG1 4.12Å; V490-V534 HydrophobicContact CG2-CG2 4Å
491	Q	97.8	Very high	92	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134	177.1	-58.5	178.9	-5.6	0	0	109.8	Y461 F482 L483 T485 V493 M507 E509 E510	Y461-Q491 VanDerWaalsContact CE2-NE2 3.27Å; Y461-Q491 PolarHBondContact OH-NE2 2.86Å; F482-Q491 CarbonylContact C-O 3.53Å; F482-Q491 VanDerWaalsContact CA-O 3.31Å; F482-Q491 WeakPolarHBondContact CA-O 3.47Å; L483-Q491 HydrophobicContact CB-CB 4.32Å; L483-Q491 PolarHBondContact N-O 3.4Å; L483-Q491 PolarHBondContact O-N 2.82Å; T485-Q491 HydrophobicContact CG2-CG 4.42Å; Q491-V493 HydrophobicContact CB-CG2 4.18Å; Q491-M507 HydrophobicContact CB-CE 4.5Å; Q491-M507 HydrophobicContact CG-CE 4.25Å; Q491-M507 HydrophobicContact CG-SD 4.25Å; Q491-E509 CarbonylContact C-O 3.59Å; Q491-E509 WeakPolarHBondContact CA-O 3.18Å; Q491-E510 HydrophobicContact CG-CB 4.47Å; Q491-E510 HydrophobicContact CG-CG 4.17Å
492	K	97.8	Very high	91.1	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.013	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.1	172	-174.8	-179.5	175.9	178.7	0	108.8	V480 L481 F482 L508 E509 L545 D563	V480-K492 HydrophobicContact CG1-CD 4.42Å; V480-K492 HydrophobicContact CG1-CG 3.77Å; L481-K492 CarbonylContact O-C 3.5Å; L481-K492 WeakPolarHBondContact O-CA 3.48Å; F482-K492 HydrophobicContact CD1-CB 4.45Å; F482-K492 HydrophobicContact CD1-CG 4.38Å; F482-K492 HydrophobicContact CE1-CB 4.37Å; F482-K492 HydrophobicContact CE1-CD 4.06Å; F482-K492 HydrophobicContact CE1-CG 3.93Å; F482-K492 HydrophobicContact CZ-CD 4.49Å; F482-K492 HydrophobicContact CZ-CG 4.41Å; K492-L508 HydrophobicContact CD-CB 4.44Å; K492-L508 HydrophobicContact CD-CD1 4.37Å; K492-L508 HydrophobicContact CG-CB 4.37Å; K492-L508 HydrophobicContact CG-CD1 4.32Å; K492-L508 PolarHBondContact O-N 3.36Å; K492-E509 HydrophobicContact CB-CB 4.08Å; K492-E509 HydrophobicContact CD-CG 4.35Å; K492-E509 WeakPolarHBondContact CD-OE1 3.15Å; K492-E509 PolarHBondContact N-O 2.87Å; K492-E509 IonicContact NZ-OE1 3.77Å; K492-E509 PolarHBondContact NZ-OE1 3.45Å; K492-E509 PolarHBondContact O-N 3.24Å; K492-L545 PolarHBondContact NZ-O 2.6Å; K492-D563 WeakPolarHBondContact CE-OD1 3.43Å; K492-D563 IonicContact NZ-OD1 3.06Å; K492-D563 PolarHBondContact NZ-OD1 2.99Å; K492-D563 IonicContact NZ-OD2 3.01Å; K492-D563 PolarHBondContact NZ-OD2 3.37Å
493	V	97.5	Very high	90.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.6	-170.7	-176.9	0	0	0	0	110.1	V454 L481 L483 Q491 V495 E505 L506 M507	V454-V493 HydrophobicContact CG2-CG1 4.31Å; L481-V493 HydrophobicContact CB-CB 4.42Å; L481-V493 PolarHBondContact N-O 3.09Å; L481-V493 PolarHBondContact O-N 3.2Å; L483-V493 HydrophobicContact CD1-CG2 4.04Å; Q491-V493 HydrophobicContact CB-CG2 4.18Å; V493-V495 HydrophobicContact CG1-CG2 4.46Å; V493-E505 HydrophobicContact CG1-CG 3.76Å; V493-L506 VanDerWaalsContact CA-O 3.32Å; V493-L506 WeakPolarHBondContact CA-O 3.41Å; V493-M507 HydrophobicContact CG2-CB 4.5Å; V493-M507 HydrophobicContact CG2-CG 4.3Å
494	I	96.2	Very high	89.9	Confident	1 Å²	1	53 Å²	53	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	149.5	165.4	62.8	175.7	0	0	0	108.9	V480 L496 L506 L508 R562 P564 V589	V480-I494 HydrophobicContact CB-CG2 4.23Å; V480-I494 HydrophobicContact CG1-CG2 4.09Å; V480-I494 HydrophobicContact CG2-CG2 3.82Å; I494-L496 HydrophobicContact CD1-CD1 4.12Å; I494-L496 HydrophobicContact CD1-CD2 4.35Å; I494-L496 HydrophobicContact CD1-CG 4.27Å; I494-L496 HydrophobicContact CG1-CG 4.45Å; I494-L506 HydrophobicContact CD1-CD1 4.01Å; I494-L506 HydrophobicContact CG1-CB 3.79Å; I494-L506 HydrophobicContact CG1-CD1 4.05Å; I494-L506 HydrophobicContact CG1-CG 4.46Å; I494-L506 PolarHBondContact N-O 3.22Å; I494-L506 PolarHBondContact O-N 2.85Å; I494-L508 HydrophobicContact CD1-CD1 4.26Å; I494-L508 HydrophobicContact CD1-CD2 4.16Å; I494-L508 HydrophobicContact CG1-CD1 4.28Å; I494-L508 HydrophobicContact CG1-CD2 4.2Å; I494-L508 HydrophobicContact CG1-CG 4.32Å; I494-L508 HydrophobicContact CG2-CD1 3.97Å; I494-R562 WeakPolarHBondContact CD1-O 3.26Å; I494-P564 HydrophobicContact CG2-CG 4.33Å; I494-V589 HydrophobicContact CD1-CG1 3.98Å
495	V	94.1	Very high	89.6	Confident	24 Å²	24	55.3 Å²	55.3	15%	0.145	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.8	176.8	-171.1	0	0	0	0	108.4	L453 V454 V493 M503 E504 E505	L453-V495 HydrophobicContact CD1-CB 3.85Å; L453-V495 HydrophobicContact CD1-CG1 3.82Å; L453-V495 HydrophobicContact CD1-CG2 3.97Å; L453-V495 HydrophobicContact CG-CB 4.36Å; L453-V495 HydrophobicContact CG-CG2 3.94Å; V454-V495 HydrophobicContact CG2-CG2 4.02Å; V493-V495 HydrophobicContact CG1-CG2 4.46Å; V495-M503 HydrophobicContact CG1-CB 3.89Å; V495-M503 HydrophobicContact CG1-CE 3.88Å; V495-E504 WeakPolarHBondContact CA-O 3.49Å; V495-E505 HydrophobicContact CG2-CG 4.06Å
496	L	90.8	Very high	89.4	Confident	4 Å²	4	56 Å²	56	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.1	-172.8	-59.9	-177.4	0	0	0	110.2	Y478 I494 K498 M503 E504 L506	Y478-L496 HydrophobicContact CD1-CD2 3.64Å; Y478-L496 HydrophobicContact CE1-CD2 3.42Å; Y478-L496 VanDerWaalsContact CE1-CD2 3.42Å; I494-L496 HydrophobicContact CD1-CD1 4.12Å; I494-L496 HydrophobicContact CD1-CD2 4.35Å; I494-L496 HydrophobicContact CD1-CG 4.27Å; I494-L496 HydrophobicContact CG1-CG 4.45Å; L496-K498 PolarHBondContact O-N 3.07Å; L496-M503 CarbonylContact O-C 3.37Å; L496-M503 WeakPolarHBondContact O-CA 3.37Å; L496-E504 PolarHBondContact N-O 3.04Å; L496-E504 PolarHBondContact O-N 2.83Å; L496-L506 HydrophobicContact CD1-CD1 3.59Å; L496-L506 HydrophobicContact CG-CD1 4.25Å
497	P	85.8	Confident	89.3	Confident	52 Å²	52	54 Å²	54	34%	0.338	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	122	169.4	30.1	-33.4	0	0	0	109.1	M503 R590	P497-M503 HydrophobicContact CB-CE 4.44Å; P497-M503 HydrophobicContact CB-SD 4.01Å; P497-R590 VanDerWaalsContact CG-NH2 3.29Å
498	K	78.4	Confident	89.2	Confident	117 Å²	117	47.2 Å²	47.2	51%	0.509	24%	0.237	S	C	.	.	S	Bend	trans	-85.6	-49.4	175.6	-171.6	180	160.3	-148.3	0	110.2	L496 E502 E504	L496-K498 PolarHBondContact O-N 3.07Å; K498-E502 HydrophobicContact CB-CB 4.29Å; K498-E502 WeakPolarHBondContact CB-O 3.5Å; K498-E502 PolarHBondContact N-O 3.34Å; K498-E502 IonicContact NZ-OE2 2.79Å; K498-E502 PolarHBondContact NZ-OE2 3.3Å; K498-E504 HydrophobicContact CB-CB 4.09Å; K498-E504 HydrophobicContact CD-CB 4.49Å
499	D	75.9	Confident	89.1	Confident	104 Å²	104	47.1 Å²	47.1	56%	0.556	24%	0.236	S	C	*	.	S	Bend	trans	-141.6	178	175.1	-67.5	-51.3	0	0	0	109.3	Q501 E502	D499-Q501 PolarHBondContact O-N 2.77Å; D499-E502 PolarHBondContact N-O 3.31Å; D499-E502 PolarHBondContact O-N 3.01Å
500	D	70.4	Confident	89	Confident	178 Å²	178	47.3 Å²	47.3	95%	0.952	24%	0.236	S	C	*	.	S	Bend	trans	-59.3	-18.6	-177.4	-73.3	-21.7	0	0	0	114.3
501	Q	69.9	Low	89	Confident	193 Å²	193	47.2 Å²	47.2	90%	0.902	24%	0.236	S	C	*	.	S	Bend	trans	-120.7	-12.5	-179.2	-63.8	-165.2	-27.9	0	0	114.6	D499	D499-Q501 PolarHBondContact O-N 2.77Å
502	E	79.3	Confident	88.9	Confident	79 Å²	79	50.4 Å²	50.4	37%	0.369	25%	0.251	S	S	.	.			trans	-115.8	132.1	-175.5	-71.8	-163.4	167.5	0	0	111.7	K498 D499	K498-E502 HydrophobicContact CB-CB 4.29Å; K498-E502 WeakPolarHBondContact CB-O 3.5Å; K498-E502 PolarHBondContact N-O 3.34Å; K498-E502 IonicContact NZ-OE2 2.79Å; K498-E502 PolarHBondContact NZ-OE2 3.3Å; D499-E502 PolarHBondContact N-O 3.31Å; D499-E502 PolarHBondContact O-N 3.01Å
503	M	84.9	Confident	88.9	Confident	93 Å²	93	50.2 Å²	50.2	46%	0.458	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132.3	170.1	-58.1	-62.2	-70.9	0	0	109.3	V495 L496 P497	V495-M503 HydrophobicContact CG1-CB 3.89Å; V495-M503 HydrophobicContact CG1-CE 3.88Å; L496-M503 CarbonylContact O-C 3.37Å; L496-M503 WeakPolarHBondContact O-CA 3.37Å; P497-M503 HydrophobicContact CB-CE 4.44Å; P497-M503 HydrophobicContact CB-SD 4.01Å
504	E	89.1	Confident	88.8	Confident	61 Å²	61	50.5 Å²	50.5	29%	0.285	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.1	171	-178.4	-172.7	-161.2	0	0	109.2	V495 L496 K498 L506 R562	V495-E504 WeakPolarHBondContact CA-O 3.49Å; L496-E504 PolarHBondContact N-O 3.04Å; L496-E504 PolarHBondContact O-N 2.83Å; K498-E504 HydrophobicContact CB-CB 4.09Å; K498-E504 HydrophobicContact CD-CB 4.49Å; E504-L506 HydrophobicContact CG-CD2 3.95Å; E504-L506 HydrophobicContact CG-CG 4.15Å; E504-L506 WeakPolarHBondContact OE1-CD2 3.3Å; E504-R562 IonicContact OE1-CZ 2.82Å; E504-R562 IonicContact OE1-NH1 3.96Å; E504-R562 PolarHBondContact OE1-NH1 3.47Å; E504-R562 IonicContact OE1-NH2 2.67Å; E504-R562 IonicContact OE2-CZ 3.86Å; E504-R562 IonicContact OE2-NH1 3.78Å; E504-R562 PolarHBondContact OE2-NH1 3.43Å; E504-R562 IonicContact OE2-NH2 3.7Å; E504-R562 PolarHBondContact OE2-NH2 3.09Å
505	E	91.6	Very high	88.4	Confident	47 Å²	47	57.1 Å²	57.1	22%	0.22	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	130	173.3	-162	-151.2	119.2	0	0	110.7	V454 R456 V493 V495	V454-E505 HydrophobicContact CG2-CG 4.46Å; R456-E505 IonicContact CZ-OE1 3.13Å; R456-E505 IonicContact CZ-OE2 2.95Å; R456-E505 IonicContact NH1-OE1 3.44Å; R456-E505 PolarHBondContact NH1-OE1 2.94Å; R456-E505 IonicContact NH1-OE2 3.86Å; R456-E505 PolarHBondContact NH1-OE2 3.44Å; R456-E505 IonicContact NH2-OE1 2.83Å; R456-E505 PolarHBondContact NH2-OE1 2.93Å; R456-E505 IonicContact NH2-OE2 2.56Å; V493-E505 HydrophobicContact CG1-CG 3.76Å; V495-E505 HydrophobicContact CG2-CG 4.06Å
506	L	92.6	Very high	88.2	Confident	16 Å²	16	60.7 Å²	60.7	8%	0.084	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	112.3	-178.8	-61.6	172	0	0	0	111.1	V493 I494 L496 E504 L508	V493-L506 VanDerWaalsContact CA-O 3.32Å; V493-L506 WeakPolarHBondContact CA-O 3.41Å; I494-L506 HydrophobicContact CD1-CD1 4.01Å; I494-L506 HydrophobicContact CG1-CB 3.79Å; I494-L506 HydrophobicContact CG1-CD1 4.05Å; I494-L506 HydrophobicContact CG1-CG 4.46Å; I494-L506 PolarHBondContact N-O 3.22Å; I494-L506 PolarHBondContact O-N 2.85Å; L496-L506 HydrophobicContact CD1-CD1 3.59Å; L496-L506 HydrophobicContact CG-CD1 4.25Å; E504-L506 HydrophobicContact CG-CD2 3.95Å; E504-L506 HydrophobicContact CG-CG 4.15Å; E504-L506 WeakPolarHBondContact OE1-CD2 3.3Å; L506-L508 HydrophobicContact CB-CD2 4.21Å; L506-L508 PolarHBondContact O-N 2.99Å
507	M	94.1	Very high	88.3	Confident	2 Å²	2	66 Å²	66	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	101.5	168.7	-169.3	179.5	-62.8	0	0	109.8	A28 P30 R31 Q491 V493 E510	A28-M507 HydrophobicContact CB-CB 4.06Å; A28-M507 VanDerWaalsContact O-CE 3.22Å; A28-M507 WeakPolarHBondContact O-CE 3.44Å; P30-M507 WeakPolarHBondContact CA-O 3.15Å; P30-M507 HydrophobicContact CB-CG 3.89Å; P30-M507 HydrophobicContact CB-SD 3.58Å; P30-M507 VanDerWaalsContact CB-SD 3.58Å; P30-M507 HydrophobicContact CG-SD 3.97Å; R31-M507 PolarHBondContact N-O 2.62Å; Q491-M507 HydrophobicContact CB-CE 4.5Å; Q491-M507 HydrophobicContact CG-CE 4.25Å; Q491-M507 HydrophobicContact CG-SD 4.25Å; V493-M507 HydrophobicContact CG2-CB 4.5Å; V493-M507 HydrophobicContact CG2-CG 4.3Å; M507-E510 HydrophobicContact SD-CB 4.45Å
508	L	94.9	Very high	88.8	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.026	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-42.9	-176.5	-55.7	-177.7	0	0	0	111.5	R31 V32 K492 I494 L506 A561 D563	R31-L508 WeakPolarHBondContact CB-O 3.15Å; V32-L508 PolarHBondContact N-O 3.13Å; K492-L508 HydrophobicContact CD-CB 4.44Å; K492-L508 HydrophobicContact CD-CD1 4.37Å; K492-L508 HydrophobicContact CG-CB 4.37Å; K492-L508 HydrophobicContact CG-CD1 4.32Å; K492-L508 PolarHBondContact O-N 3.36Å; I494-L508 HydrophobicContact CD1-CD1 4.26Å; I494-L508 HydrophobicContact CD1-CD2 4.16Å; I494-L508 HydrophobicContact CG1-CD1 4.28Å; I494-L508 HydrophobicContact CG1-CD2 4.2Å; I494-L508 HydrophobicContact CG1-CG 4.32Å; I494-L508 HydrophobicContact CG2-CD1 3.97Å; L506-L508 HydrophobicContact CB-CD2 4.21Å; L506-L508 PolarHBondContact O-N 2.99Å; L508-A561 WeakPolarHBondContact CD2-O 3.47Å; L508-D563 HydrophobicContact CD1-CB 4.14Å
509	E	94.4	Very high	89.6	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	145.8	-175	-53.5	179.6	-120.8	0	0	111	V32 Q491 K492 R547 Y551	V32-E509 HydrophobicContact CB-CG 4.46Å; V32-E509 CarbonylContact O-C 3.45Å; V32-E509 VanDerWaalsContact O-CA 3.27Å; V32-E509 WeakPolarHBondContact O-CA 3.19Å; Q491-E509 CarbonylContact C-O 3.59Å; Q491-E509 WeakPolarHBondContact CA-O 3.18Å; K492-E509 HydrophobicContact CB-CB 4.08Å; K492-E509 HydrophobicContact CD-CG 4.35Å; K492-E509 WeakPolarHBondContact CD-OE1 3.15Å; K492-E509 PolarHBondContact N-O 2.87Å; K492-E509 IonicContact NZ-OE1 3.77Å; K492-E509 PolarHBondContact NZ-OE1 3.45Å; K492-E509 PolarHBondContact O-N 3.24Å; E509-R547 VanDerWaalsContact CD-NH2 3.25Å; E509-R547 IonicContact OE1-NH2 3.35Å; E509-R547 PolarHBondContact OE1-NH2 2.93Å; E509-R547 IonicContact OE2-CZ 3.47Å; E509-R547 IonicContact OE2-NE 3.83Å; E509-R547 PolarHBondContact OE2-NE 3.04Å; E509-R547 IonicContact OE2-NH2 3.43Å; E509-R547 PolarHBondContact OE2-NH2 3.29Å; E509-Y551 HydrophobicContact CG-CE1 4.05Å; E509-Y551 WeakPolarHBondContact CG-OH 3.42Å; E509-Y551 PolarHBondContact OE1-OH 2.94Å
510	E	95.7	Very high	90.7	Very high	8 Å²	8	55.8 Å²	55.8	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	123.6	163.1	-179.4	174.3	-150.6	0	0	109.1	P30 V32 R33 L34 T489 V490 Q491 M507	P30-E510 HydrophobicContact CB-CB 3.72Å; P30-E510 HydrophobicContact CG-CB 3.88Å; V32-E510 PolarHBondContact O-N 2.86Å; R33-E510 VanDerWaalsContact CA-O 3.29Å; R33-E510 WeakPolarHBondContact CA-O 3.41Å; R33-E510 IonicContact CZ-OE2 3.04Å; R33-E510 IonicContact NH1-OE2 2.72Å; R33-E510 PolarHBondContact NH1-OE2 2.88Å; L34-E510 PolarHBondContact N-O 2.75Å; T489-E510 HydrophobicContact CG2-CG 4.33Å; T489-E510 PolarHBondContact OG1-OE1 3.09Å; V490-E510 WeakPolarHBondContact O-CA 3.27Å; Q491-E510 HydrophobicContact CG-CB 4.47Å; Q491-E510 HydrophobicContact CG-CG 4.17Å; M507-E510 HydrophobicContact SD-CB 4.45Å
511	V	97.1	Very high	91.9	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.6	-175.6	-58.6	0	0	0	0	111.4	L34 L39 T489 V490 V513 L543	L34-V511 HydrophobicContact CB-CG1 4.14Å; L34-V511 HydrophobicContact CD1-CG1 4.1Å; L34-V511 HydrophobicContact CG-CG1 4.33Å; L39-V511 HydrophobicContact CD1-CB 4.2Å; L39-V511 HydrophobicContact CD1-CG1 4.18Å; L39-V511 HydrophobicContact CD2-CB 4.15Å; L39-V511 HydrophobicContact CD2-CG2 4.43Å; T489-V511 CarbonylContact C-O 3.49Å; T489-V511 WeakPolarHBondContact CA-O 3.46Å; T489-V511 WeakPolarHBondContact CB-O 3.37Å; V490-V511 HydrophobicContact CB-CG2 4.13Å; V490-V511 PolarHBondContact N-O 2.79Å; V490-V511 PolarHBondContact O-N 2.79Å; V511-V513 HydrophobicContact CG2-CG1 3.84Å; V511-V513 PolarHBondContact O-N 2.83Å; V511-L543 HydrophobicContact CG2-CD1 4.43Å
512	E	97.2	Very high	93.2	Very high	67 Å²	67	43.9 Å²	43.9	31%	0.313	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	111.4	171	-74	173.1	-175.6	0	0	109.6	L34 S35 F36 L39 T489	L34-E512 PolarHBondContact O-N 3.06Å; S35-E512 WeakPolarHBondContact CA-OE2 2.99Å; F36-E512 WeakPolarHBondContact CA-O 3.37Å; F36-E512 HydrophobicContact CB-CB 4.3Å; F36-E512 PolarHBondContact N-OE2 2.64Å; L39-E512 VanDerWaalsContact CD2-O 3.23Å; L39-E512 WeakPolarHBondContact CD2-O 3.35Å; T489-E512 HydrophobicContact CG2-CG 3.77Å
513	V	96.9	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.			trans	-93.1	-16	-168.2	-57.5	0	0	0	0	113.2	G488 V490 V511 V520 V534 T541 L543	G488-V513 WeakPolarHBondContact O-CG2 3.41Å; G488-V513 PolarHBondContact O-N 2.77Å; G488-V513 VanDerWaalsContact O-N 3.07Å; V490-V513 HydrophobicContact CB-CG1 4.06Å; V490-V513 HydrophobicContact CG2-CG1 3.72Å; V490-V513 HydrophobicContact CG2-CG2 4.41Å; V511-V513 HydrophobicContact CG2-CG1 3.84Å; V511-V513 PolarHBondContact O-N 2.83Å; V513-V520 HydrophobicContact CG2-CG2 4.48Å; V513-V534 HydrophobicContact CG2-CB 4.46Å; V513-V534 HydrophobicContact CG2-CG1 3.99Å; V513-T541 HydrophobicContact CB-CG2 4.15Å; V513-T541 WeakPolarHBondContact O-CB 3.35Å; V513-T541 WeakPolarHBondContact O-CG2 3.44Å; V513-T541 PolarHBondContact O-OG1 2.62Å; V513-L543 HydrophobicContact CB-CD1 4.43Å; V513-L543 HydrophobicContact CG1-CD1 3.53Å; V513-L543 HydrophobicContact CG1-CD2 4.34Å; V513-L543 HydrophobicContact CG1-CG 4.5Å
514	F	94.9	Very high	94.6	Very high	5 Å²	5	38 Å²	38	2%	0.022	20%	0.199	C	C	.	.	S	Bend	trans	-117.5	147.5	179.9	-56.5	-60	0	0	0	111.3	F36 F47 D516 V520 V534 V538 T541	F36-F514 WeakPolarHBondContact CD2-O 3.46Å; F47-F514 HydrophobicContact CD2-CD1 4.21Å; F47-F514 AromaticContact CE2-CD1 3.89Å; F47-F514 HydrophobicContact CE2-CD1 3.89Å; F514-D516 WeakPolarHBondContact CB-O 3.22Å; F514-V520 HydrophobicContact CE2-CG2 4.11Å; F514-V534 HydrophobicContact CE2-CG1 4.45Å; F514-V534 HydrophobicContact CZ-CG1 4.01Å; F514-V538 HydrophobicContact CB-CG2 3.97Å; F514-V538 HydrophobicContact CD1-CG2 3.93Å; F514-V538 HydrophobicContact CD2-CG2 4.47Å; F514-V538 HydrophobicContact CG-CG2 3.86Å; F514-T541 WeakPolarHBondContact CD1-OG1 3.45Å; F514-T541 WeakPolarHBondContact CE1-OG1 3.49Å
515	K	89	Confident	94.9	Very high	141 Å²	141	35.7 Å²	35.7	61%	0.613	19%	0.188	S	C	*	.	S	Bend	trans	-62.1	-47	175.1	-177	-172.4	172.5	-165.8	0	111.2	F36	F36-K515 HydrophobicContact CD1-CB 3.98Å; F36-K515 HydrophobicContact CD1-CG 4.26Å; F36-K515 HydrophobicContact CE1-CB 3.65Å; F36-K515 HydrophobicContact CE1-CG 4.07Å; F36-K515 HydrophobicContact CE2-CB 4.43Å; F36-K515 HydrophobicContact CG-CB 4.5Å; F36-K515 HydrophobicContact CZ-CB 3.9Å
516	D	90.1	Very high	95.1	Very high	98 Å²	98	33.4 Å²	33.4	52%	0.524	18%	0.177	S	C	.	.	S	Bend	trans	-104.9	123.1	176.1	-58.9	-55.1	0	0	0	107.7	F514 A518	F514-D516 WeakPolarHBondContact CB-O 3.22Å; D516-A518 PolarHBondContact O-N 2.81Å; D516-A518 VanDerWaalsContact O-N 3.13Å
517	P	92.9	Very high	95.1	Very high	115 Å²	115	35 Å²	35	75%	0.747	19%	0.189	S	C	*	.			trans	-56.5	118.8	-176.6	-27.6	35.2	0	0	0	111.8
518	A	94.9	Very high	95	Very high	7 Å²	7	42.4 Å²	42.4	6%	0.058	22%	0.222	C	C	.	.			trans	-144.5	141.3	-179.5	0	0	0	0	0	110.2	G488 D516 V520 S536 V538	G488-A518 WeakPolarHBondContact CA-O 3.39Å; G488-A518 PolarHBondContact N-O 3.39Å; D516-A518 PolarHBondContact O-N 2.81Å; D516-A518 VanDerWaalsContact O-N 3.13Å; A518-V520 PolarHBondContact O-N 3.09Å; A518-S536 WeakPolarHBondContact CB-OG 3.42Å; A518-V538 HydrophobicContact CB-CB 4.36Å; A518-V538 HydrophobicContact CB-CG1 3.73Å; A518-V538 HydrophobicContact CB-CG2 3.7Å
519	P	97	Very high	94.8	Very high	52 Å²	52	45 Å²	45	34%	0.338	23%	0.231	S	C	.	.			trans	-54.9	133	-178	-25.5	32.1	0	0	0	112.2	D486 K521 S536	D486-P519 HydrophobicContact CB-CB 4.43Å; D486-P519 WeakPolarHBondContact O-CA 3.43Å; D486-P519 WeakPolarHBondContact O-CG 3.37Å; P519-K521 PolarHBondContact O-N 3.42Å; P519-S536 VanDerWaalsContact O-CB 3.27Å; P519-S536 WeakPolarHBondContact O-CB 3.36Å; P519-S536 PolarHBondContact O-OG 3.39Å
520	V	98.1	Very high	94.7	Very high	1 Å²	1	46 Å²	46	1%	0.006	24%	0.236	C	C	.	.			trans	-65.3	121.1	169.7	178	0	0	0	0	108.2	T464 T465 T485 V513 F514 A518 M523 V534	T464-V520 VanDerWaalsContact CB-O 3.31Å; T464-V520 WeakPolarHBondContact CB-O 3.23Å; T464-V520 PolarHBondContact OG1-O 2.67Å; T465-V520 HydrophobicContact CG2-CG1 4.3Å; T465-V520 VanDerWaalsContact OG1-CG1 3.31Å; T465-V520 WeakPolarHBondContact OG1-CG1 3.47Å; T485-V520 PolarHBondContact O-N 2.86Å; V513-V520 HydrophobicContact CG2-CG2 4.48Å; F514-V520 HydrophobicContact CE2-CG2 4.11Å; A518-V520 PolarHBondContact O-N 3.09Å; V520-M523 HydrophobicContact CG1-CG 3.67Å; V520-M523 HydrophobicContact CG1-SD 3.78Å; V520-V534 HydrophobicContact CB-CG1 4.27Å; V520-V534 HydrophobicContact CG1-CG1 3.47Å; V520-V534 VanDerWaalsContact CG1-CG1 3.47Å; V520-V534 HydrophobicContact CG2-CG1 3.84Å
521	K	95.8	Very high	94.7	Very high	84 Å²	84	47.2 Å²	47.2	37%	0.365	24%	0.242	S	C	.	.			trans	-98	-40.6	-177.4	-68.7	-54.5	-163.8	175.5	0	112.9	P519 A535	P519-K521 PolarHBondContact O-N 3.42Å; K521-A535 PolarHBondContact N-O 3.1Å
522	T	96.5	Very high	94.8	Very high	36 Å²	36	47.2 Å²	47.2	22%	0.221	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	140.3	-176	-51.3	0	0	0	0	109.1	R58 L60 A535	R58-T522 WeakPolarHBondContact O-CB 3.45Å; R58-T522 PolarHBondContact O-OG1 2.95Å; L60-T522 HydrophobicContact CB-CG2 4.17Å; L60-T522 HydrophobicContact CD1-CG2 4.2Å; L60-T522 HydrophobicContact CG-CG2 4.17Å; T522-A535 PolarHBondContact N-O 2.56Å; T522-A535 PolarHBondContact O-N 2.96Å
523	M	97.2	Very high	94.8	Very high	19 Å²	19	44 Å²	44	9%	0.094	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.2	174.4	-79.4	178.5	32.4	0	0	110	T465 A467 F482 V490 V520 L532 Y533 V534	T465-M523 PolarHBondContact OG1-SD 3.07Å; A467-M523 HydrophobicContact CB-CE 4.11Å; F482-M523 HydrophobicContact CB-CE 3.8Å; F482-M523 VanDerWaalsContact O-CE 3.31Å; F482-M523 WeakPolarHBondContact O-CE 3.39Å; V490-M523 HydrophobicContact CG1-CE 4.49Å; V490-M523 HydrophobicContact CG2-SD 4.03Å; V520-M523 HydrophobicContact CG1-CG 3.67Å; V520-M523 HydrophobicContact CG1-SD 3.78Å; M523-L532 HydrophobicContact CE-CD1 4.08Å; M523-L532 HydrophobicContact CE-CD2 4.01Å; M523-Y533 WeakPolarHBondContact CA-O 3.18Å; M523-V534 HydrophobicContact CG-CB 4.32Å; M523-V534 HydrophobicContact CG-CG1 3.85Å; M523-V534 HydrophobicContact CG-CG2 4.15Å; M523-V534 HydrophobicContact SD-CG1 4.3Å
524	T	96.2	Very high	94.8	Very high	30 Å²	30	44 Å²	44	18%	0.184	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146	170.4	-170.1	0	0	0	0	110.3	L60 M69 Y533	L60-T524 HydrophobicContact CB-CG2 4.02Å; L60-T524 HydrophobicContact CD1-CG2 4.05Å; M69-T524 HydrophobicContact CE-CG2 3.63Å; M69-T524 HydrophobicContact SD-CG2 4.18Å; T524-Y533 HydrophobicContact CG2-CD2 4.08Å; T524-Y533 HydrophobicContact CG2-CG 4.37Å; T524-Y533 PolarHBondContact N-O 2.72Å; T524-Y533 PolarHBondContact O-N 2.9Å
525	I	96.6	Very high	94.9	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.062	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.7	-173.3	-170.2	167.1	0	0	0	111	K62 F343 A467 D469 F482 L532 L545	K62-I525 PolarHBondContact NZ-O 3.46Å; F343-I525 HydrophobicContact CE2-CG2 3.83Å; F343-I525 HydrophobicContact CZ-CG2 3.89Å; A467-I525 HydrophobicContact CB-CB 4.15Å; A467-I525 HydrophobicContact CB-CG2 4.16Å; D469-I525 HydrophobicContact CB-CD1 3.8Å; F482-I525 HydrophobicContact CD2-CD1 4.01Å; F482-I525 HydrophobicContact CE2-CD1 3.94Å; I525-L532 HydrophobicContact CB-CD1 4Å; I525-L532 HydrophobicContact CG1-CD1 4.34Å; I525-L545 HydrophobicContact CD1-CD1 4.03Å; I525-L545 HydrophobicContact CD1-CD2 3.83Å; I525-L545 HydrophobicContact CG1-CD1 4.26Å; I525-L545 HydrophobicContact CG1-CD2 4.07Å
526	S	95.1	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	95.1	165.2	-177.7	0	0	0	0	109.1	E64 K528 R529 Q530 Q531	E64-S526 WeakPolarHBondContact OE1-CB 3.43Å; E64-S526 PolarHBondContact OE1-OG 2.86Å; S526-K528 VanDerWaalsContact C-N 3.25Å; S526-K528 PolarHBondContact O-N 2.88Å; S526-R529 CarbonylContact O-C 3.43Å; S526-R529 PolarHBondContact O-N 2.75Å; S526-R529 WeakPolarHBondContact OG-CB 3.05Å; S526-R529 WeakPolarHBondContact OG-CG 3.42Å; S526-R529 PolarHBondContact OG-N 3.4Å; S526-Q530 WeakPolarHBondContact O-CA 3.33Å; S526-Q530 PolarHBondContact O-N 2.87Å; S526-Q531 PolarHBondContact N-O 3.08Å; S526-Q531 PolarHBondContact O-N 3.03Å
527	S	93.1	Very high	95.4	Very high	48 Å²	48	34.1 Å²	34.1	34%	0.336	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-39.1	173.9	-47.9	0	0	0	0	111.3	D469 R529 Q530	D469-S527 WeakPolarHBondContact OD1-CB 3.46Å; D469-S527 PolarHBondContact OD1-OG 3Å; S527-R529 VanDerWaalsContact C-N 3.32Å; S527-R529 PolarHBondContact O-N 2.87Å; S527-Q530 PolarHBondContact O-N 3.39Å; S527-Q530 PolarHBondContact O-NE2 2.99Å
528	K	91	Very high	95.4	Very high	159 Å²	159	30.6 Å²	30.6	69%	0.691	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-43	176.6	-177.4	-178.2	177	-174	0	112.3	S526	S526-K528 VanDerWaalsContact C-N 3.25Å; S526-K528 PolarHBondContact O-N 2.88Å
529	R	90.8	Very high	95.4	Very high	58 Å²	58	30.2 Å²	30.2	22%	0.219	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.4	-179.9	-63.4	-179.5	170.1	-81.8	-13.1	113.3	D67 S526 S527 Q531	D67-R529 IonicContact OD1-CZ 2.65Å; D67-R529 IonicContact OD1-NH2 3.27Å; D67-R529 PolarHBondContact OD1-NH2 2.97Å; D67-R529 IonicContact OD2-CZ 3.28Å; D67-R529 IonicContact OD2-NH2 3.11Å; D67-R529 PolarHBondContact OD2-NH2 3.39Å; S526-R529 CarbonylContact O-C 3.43Å; S526-R529 PolarHBondContact O-N 2.75Å; S526-R529 WeakPolarHBondContact OG-CB 3.05Å; S526-R529 WeakPolarHBondContact OG-CG 3.42Å; S526-R529 PolarHBondContact OG-N 3.4Å; S527-R529 VanDerWaalsContact C-N 3.32Å; S527-R529 PolarHBondContact O-N 2.87Å; R529-Q531 VanDerWaalsContact C-N 3.34Å; R529-Q531 HydrophobicContact CB-CG 3.94Å; R529-Q531 WeakPolarHBondContact O-CG 3.19Å; R529-Q531 PolarHBondContact O-NE2 2.99Å
530	Q	93.9	Very high	95.4	Very high	22 Å²	22	27.8 Å²	27.8	10%	0.103	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	46.1	-173.5	-58.3	-83	-77.4	0	0	112.3	S526 S527 L545 R575	S526-Q530 WeakPolarHBondContact O-CA 3.33Å; S526-Q530 PolarHBondContact O-N 2.87Å; S527-Q530 PolarHBondContact O-N 3.39Å; S527-Q530 PolarHBondContact O-NE2 2.99Å; Q530-L545 VanDerWaalsContact C-CG 3.46Å; Q530-L545 HydrophobicContact CB-CD1 4.41Å; Q530-L545 PolarHBondContact O-N 3.44Å; Q530-R575 VanDerWaalsContact OE1-NH2 3.15Å
531	Q	95.4	Very high	95.3	Very high	35 Å²	35	27.8 Å²	27.8	16%	0.164	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146	-177.6	-53.4	-51.6	-32.3	0	0	112	S526 R529 Y533 H542 L543 S544	S526-Q531 PolarHBondContact N-O 3.08Å; S526-Q531 PolarHBondContact O-N 3.03Å; R529-Q531 VanDerWaalsContact C-N 3.34Å; R529-Q531 HydrophobicContact CB-CG 3.94Å; R529-Q531 WeakPolarHBondContact O-CG 3.19Å; R529-Q531 PolarHBondContact O-NE2 2.99Å; Q531-Y533 HydrophobicContact CB-CE2 3.98Å; Q531-H542 WeakPolarHBondContact CB-NE2 3.45Å; Q531-H542 WeakPolarHBondContact CG-NE2 3.25Å; Q531-H542 PolarHBondContact OE1-NE2 3.32Å; Q531-L543 CarbonylContact C-O 3.6Å; Q531-L543 WeakPolarHBondContact CA-O 3.3Å; Q531-L543 PolarHBondContact OE1-O 3.36Å; Q531-S544 VanDerWaalsContact OE1-CA 3.25Å
532	L	97.7	Very high	95.2	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.4	170.1	-176	70.9	0	0	0	109	A467 F482 V490 M523 I525 V534 H542 L543 L545	A467-L532 HydrophobicContact CB-CD1 4.02Å; F482-L532 HydrophobicContact CB-CD1 4.48Å; F482-L532 HydrophobicContact CB-CD2 3.96Å; F482-L532 HydrophobicContact CD1-CD2 3.9Å; F482-L532 HydrophobicContact CG-CD2 4.05Å; V490-L532 HydrophobicContact CG1-CD2 3.9Å; M523-L532 HydrophobicContact CE-CD1 4.08Å; M523-L532 HydrophobicContact CE-CD2 4.01Å; I525-L532 HydrophobicContact CB-CD1 4Å; I525-L532 HydrophobicContact CG1-CD1 4.34Å; L532-V534 HydrophobicContact CD2-CG2 4.02Å; L532-V534 HydrophobicContact CG-CG2 4.03Å; L532-H542 CarbonylContact O-C 3.58Å; L532-H542 WeakPolarHBondContact O-CA 3.27Å; L532-L543 HydrophobicContact CB-CB 4.44Å; L532-L543 HydrophobicContact CD2-CD1 4.32Å; L532-L543 PolarHBondContact N-O 3.03Å; L532-L543 PolarHBondContact O-N 3.29Å; L532-L545 HydrophobicContact CB-CD2 3.78Å
533	Y	97.6	Very high	95.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.9	176.2	-52.6	-94.3	0	0	0	108.9	M69 L82 I85 M523 T524 Q531 T541 H542	M69-Y533 HydrophobicContact CE-CD1 3.93Å; M69-Y533 HydrophobicContact CE-CD2 3.54Å; M69-Y533 HydrophobicContact CE-CE1 4.28Å; M69-Y533 HydrophobicContact CE-CE2 3.93Å; M69-Y533 HydrophobicContact CE-CG 3.55Å; L82-Y533 HydrophobicContact CD2-CE1 4.17Å; L82-Y533 HydrophobicContact CD2-CE2 4.16Å; L82-Y533 PolarHBondContact O-OH 3.44Å; I85-Y533 HydrophobicContact CG2-CD1 4.21Å; I85-Y533 HydrophobicContact CG2-CE1 4.05Å; M523-Y533 WeakPolarHBondContact CA-O 3.18Å; T524-Y533 HydrophobicContact CG2-CD2 4.08Å; T524-Y533 HydrophobicContact CG2-CG 4.37Å; T524-Y533 PolarHBondContact N-O 2.72Å; T524-Y533 PolarHBondContact O-N 2.9Å; Q531-Y533 HydrophobicContact CB-CE2 3.98Å; Y533-T541 CarbonylContact C-O 3.52Å; Y533-T541 WeakPolarHBondContact CA-O 3.44Å; Y533-H542 HydrophobicContact CD1-CB 3.81Å; Y533-H542 HydrophobicContact CE1-CB 3.99Å; Y533-H542 AromaticContact CE1-CD2 3.65Å; Y533-H542 AromaticContact CE1-CG 3.79Å
534	V	98.1	Very high	95.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.6	-170.3	-168.1	0	0	0	0	108.4	V490 V513 F514 V520 M523 L532 V540 T541 L543	V490-V534 HydrophobicContact CG2-CG1 4.12Å; V490-V534 HydrophobicContact CG2-CG2 4Å; V513-V534 HydrophobicContact CG2-CB 4.46Å; V513-V534 HydrophobicContact CG2-CG1 3.99Å; F514-V534 HydrophobicContact CE2-CG1 4.45Å; F514-V534 HydrophobicContact CZ-CG1 4.01Å; V520-V534 HydrophobicContact CB-CG1 4.27Å; V520-V534 HydrophobicContact CG1-CG1 3.47Å; V520-V534 VanDerWaalsContact CG1-CG1 3.47Å; V520-V534 HydrophobicContact CG2-CG1 3.84Å; M523-V534 HydrophobicContact CG-CB 4.32Å; M523-V534 HydrophobicContact CG-CG1 3.85Å; M523-V534 HydrophobicContact CG-CG2 4.15Å; M523-V534 HydrophobicContact SD-CG1 4.3Å; L532-V534 HydrophobicContact CD2-CG2 4.02Å; L532-V534 HydrophobicContact CG-CG2 4.03Å; V534-V540 CarbonylContact O-C 3.59Å; V534-V540 WeakPolarHBondContact O-CA 3.24Å; V534-T541 PolarHBondContact N-O 2.98Å; V534-T541 PolarHBondContact O-N 3.24Å; V534-L543 HydrophobicContact CG2-CD1 3.85Å
535	A	96.9	Very high	95.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	150.1	-178.7	0	0	0	0	0	112.4	Y57 L60 K521 T522 V540	Y57-A535 WeakPolarHBondContact O-CB 3.36Å; L60-A535 HydrophobicContact CD1-CB 3.75Å; L60-A535 HydrophobicContact CD2-CB 3.95Å; L60-A535 HydrophobicContact CG-CB 3.86Å; K521-A535 PolarHBondContact N-O 3.1Å; T522-A535 PolarHBondContact N-O 2.56Å; T522-A535 PolarHBondContact O-N 2.96Å; A535-V540 HydrophobicContact CB-CG2 4.2Å
536	S	96.1	Very high	95	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	-178.1	177.2	-174.8	0	0	0	0	111	Y57 A518 P519 V538 G539	Y57-S536 VanDerWaalsContact CB-O 3.24Å; Y57-S536 WeakPolarHBondContact CB-O 3.28Å; Y57-S536 PolarHBondContact N-O 3.01Å; Y57-S536 VanDerWaalsContact N-O 3.15Å; A518-S536 WeakPolarHBondContact CB-OG 3.42Å; P519-S536 VanDerWaalsContact O-CB 3.27Å; P519-S536 WeakPolarHBondContact O-CB 3.36Å; P519-S536 PolarHBondContact O-OG 3.39Å; S536-V538 PolarHBondContact O-N 2.83Å; S536-V538 VanDerWaalsContact O-N 3.11Å; S536-G539 PolarHBondContact N-O 3.33Å
537	A	93.1	Very high	95	Very high	37 Å²	37	22.6 Å²	22.6	31%	0.306	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.8	173.9	0	0	0	0	0	113.7	T55 D56	T55-A537 CarbonylContact C-O 3.5Å; T55-A537 WeakPolarHBondContact CA-O 3.45Å; D56-A537 PolarHBondContact N-O 3.45Å
538	V	93.5	Very high	95	Very high	40 Å²	40	20.6 Å²	20.6	24%	0.242	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-13.8	-172.5	-60.4	0	0	0	0	114.9	N49 F514 A518 S536	N49-V538 PolarHBondContact ND2-O 2.68Å; F514-V538 HydrophobicContact CB-CG2 3.97Å; F514-V538 HydrophobicContact CD1-CG2 3.93Å; F514-V538 HydrophobicContact CD2-CG2 4.47Å; F514-V538 HydrophobicContact CG-CG2 3.86Å; A518-V538 HydrophobicContact CB-CB 4.36Å; A518-V538 HydrophobicContact CB-CG1 3.73Å; A518-V538 HydrophobicContact CB-CG2 3.7Å; S536-V538 PolarHBondContact O-N 2.83Å; S536-V538 VanDerWaalsContact O-N 3.11Å
539	G	94.6	Very high	95	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160	-171.6	-177.4	0	0	0	0	0	114.2	F48 Y57 S536	F48-G539 WeakPolarHBondContact O-CA 3.43Å; Y57-G539 VanDerWaalsContact CD2-N 3.25Å; Y57-G539 VanDerWaalsContact CE2-CA 3.46Å; S536-G539 PolarHBondContact N-O 3.33Å
540	V	95.9	Very high	95	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.8	175.4	-177.4	0	0	0	0	109.2	F48 Y57 L60 V71 I85 V534 A535	F48-V540 PolarHBondContact N-O 3.24Å; F48-V540 PolarHBondContact O-N 2.8Å; Y57-V540 HydrophobicContact CD1-CG2 3.78Å; Y57-V540 HydrophobicContact CG-CG2 4.13Å; L60-V540 HydrophobicContact CD2-CG1 4.39Å; L60-V540 HydrophobicContact CD2-CG2 4.32Å; V71-V540 HydrophobicContact CG1-CG2 3.96Å; V71-V540 HydrophobicContact CG2-CG2 4.36Å; I85-V540 HydrophobicContact CD1-CG1 4.4Å; I85-V540 WeakPolarHBondContact CD1-O 3.29Å; V534-V540 CarbonylContact O-C 3.59Å; V534-V540 WeakPolarHBondContact O-CA 3.24Å; A535-V540 HydrophobicContact CB-CG2 4.2Å
541	T	96.2	Very high	94.8	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.7	173.3	-53.9	0	0	0	0	109.6	H46 F47 V513 F514 Y533 V534 L543	H46-T541 WeakPolarHBondContact O-CA 3.46Å; F47-T541 WeakPolarHBondContact CD2-OG1 3.23Å; V513-T541 HydrophobicContact CB-CG2 4.15Å; V513-T541 WeakPolarHBondContact O-CB 3.35Å; V513-T541 WeakPolarHBondContact O-CG2 3.44Å; V513-T541 PolarHBondContact O-OG1 2.62Å; F514-T541 WeakPolarHBondContact CD1-OG1 3.45Å; F514-T541 WeakPolarHBondContact CE1-OG1 3.49Å; Y533-T541 CarbonylContact C-O 3.52Å; Y533-T541 WeakPolarHBondContact CA-O 3.44Å; V534-T541 PolarHBondContact N-O 2.98Å; V534-T541 PolarHBondContact O-N 3.24Å; T541-L543 HydrophobicContact CG2-CD2 3.6Å; T541-L543 HydrophobicContact CG2-CG 4.06Å
542	H	94.3	Very high	94.3	Very high	6 Å²	6	17.2 Å²	17.2	3%	0.028	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.9	171.9	158	-126.4	0	0	0	109	A45 H46 I85 Q531 L532 Y533	A45-H542 CarbonylContact C-O 3.51Å; A45-H542 VanDerWaalsContact CA-O 3.26Å; A45-H542 WeakPolarHBondContact CA-O 3.42Å; H46-H542 PolarHBondContact N-O 2.79Å; H46-H542 PolarHBondContact O-N 3.43Å; I85-H542 HydrophobicContact CD1-CB 3.8Å; I85-H542 HydrophobicContact CG1-CB 4.12Å; I85-H542 HydrophobicContact CG2-CB 3.81Å; Q531-H542 WeakPolarHBondContact CB-NE2 3.45Å; Q531-H542 WeakPolarHBondContact CG-NE2 3.25Å; Q531-H542 PolarHBondContact OE1-NE2 3.32Å; L532-H542 CarbonylContact O-C 3.58Å; L532-H542 WeakPolarHBondContact O-CA 3.27Å; Y533-H542 HydrophobicContact CD1-CB 3.81Å; Y533-H542 HydrophobicContact CE1-CB 3.99Å; Y533-H542 AromaticContact CE1-CD2 3.65Å; Y533-H542 AromaticContact CE1-CG 3.79Å
543	L	95.3	Very high	93.7	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.2	-173	-52.8	166.5	0	0	0	110.8	L39 T44 A45 V511 V513 Q531 L532 V534 T541	L39-L543 HydrophobicContact CD1-CD2 4.31Å; L39-L543 HydrophobicContact CD2-CD2 3.76Å; L39-L543 HydrophobicContact CG-CD2 4.41Å; T44-L543 CarbonylContact O-C 3.54Å; T44-L543 WeakPolarHBondContact O-CA 3.5Å; A45-L543 HydrophobicContact CB-CD2 3.5Å; V511-L543 HydrophobicContact CG2-CD1 4.43Å; V513-L543 HydrophobicContact CB-CD1 4.43Å; V513-L543 HydrophobicContact CG1-CD1 3.53Å; V513-L543 HydrophobicContact CG1-CD2 4.34Å; V513-L543 HydrophobicContact CG1-CG 4.5Å; Q531-L543 CarbonylContact C-O 3.6Å; Q531-L543 WeakPolarHBondContact CA-O 3.3Å; Q531-L543 PolarHBondContact OE1-O 3.36Å; L532-L543 HydrophobicContact CB-CB 4.44Å; L532-L543 HydrophobicContact CD2-CD1 4.32Å; L532-L543 PolarHBondContact N-O 3.03Å; L532-L543 PolarHBondContact O-N 3.29Å; V534-L543 HydrophobicContact CG2-CD1 3.85Å; T541-L543 HydrophobicContact CG2-CD2 3.6Å; T541-L543 HydrophobicContact CG2-CG 4.06Å
544	S	96	Very high	93.2	Very high	10 Å²	10	22.8 Å²	22.8	7%	0.07	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	148.3	165	-172.9	0	0	0	0	111.7	T44 Q531 H546 R547	T44-S544 PolarHBondContact O-N 2.86Å; Q531-S544 VanDerWaalsContact OE1-CA 3.25Å; S544-H546 PolarHBondContact O-N 3.09Å; S544-H546 PolarHBondContact OG-N 3.34Å; S544-H546 PolarHBondContact OG-O 3.06Å; S544-R547 PolarHBondContact O-NH1 3.42Å
545	L	96.3	Very high	92.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-72	-15.4	173.4	-58	-179.9	0	0	0	113	F482 K492 I525 Q530 L532 Y565	F482-L545 HydrophobicContact CE1-CD2 4.02Å; F482-L545 HydrophobicContact CE2-CD2 3.84Å; F482-L545 HydrophobicContact CZ-CB 4.07Å; F482-L545 HydrophobicContact CZ-CD2 3.54Å; F482-L545 HydrophobicContact CZ-CG 4.28Å; K492-L545 PolarHBondContact NZ-O 2.6Å; I525-L545 HydrophobicContact CD1-CD1 4.03Å; I525-L545 HydrophobicContact CD1-CD2 3.83Å; I525-L545 HydrophobicContact CG1-CD1 4.26Å; I525-L545 HydrophobicContact CG1-CD2 4.07Å; Q530-L545 VanDerWaalsContact C-CG 3.46Å; Q530-L545 HydrophobicContact CB-CD1 4.41Å; Q530-L545 PolarHBondContact O-N 3.44Å; L532-L545 HydrophobicContact CB-CD2 3.78Å; L545-Y565 HydrophobicContact CB-CD1 4.49Å; L545-Y565 HydrophobicContact CB-CE1 3.85Å; L545-Y565 HydrophobicContact CB-CE2 4.38Å; L545-Y565 HydrophobicContact CD1-CE1 4.2Å
546	H	94.3	Very high	92.3	Very high	38 Å²	38	23 Å²	23	18%	0.176	15%	0.145	C	C	.	.			trans	-135.7	137.4	-175.9	63.3	62	0	0	0	112.8	S544 Y565 R575	S544-H546 PolarHBondContact O-N 3.09Å; S544-H546 PolarHBondContact OG-N 3.34Å; S544-H546 PolarHBondContact OG-O 3.06Å; H546-Y565 HydrophobicContact CB-CD1 4.35Å; H546-Y565 HydrophobicContact CB-CG 4.02Å; H546-R575 VanDerWaalsContact NE2-CD 3.28Å; H546-R575 WeakPolarHBondContact NE2-CD 3.27Å
547	R	94.3	Very high	92	Very high	15 Å²	15	24.3 Å²	24.3	6%	0.057	15%	0.151	C	C	.	.			trans	-135.3	53.6	177.4	-74.6	167.5	-68.6	-75.5	-13	110.3	T44 E509 S544 Q549 A550	T44-R547 HydrophobicContact CG2-CG 3.95Å; T44-R547 VanDerWaalsContact OG1-CD 3.26Å; T44-R547 WeakPolarHBondContact OG1-CD 3.42Å; T44-R547 WeakPolarHBondContact OG1-CG 3.38Å; E509-R547 VanDerWaalsContact CD-NH2 3.25Å; E509-R547 IonicContact OE1-NH2 3.35Å; E509-R547 PolarHBondContact OE1-NH2 2.93Å; E509-R547 IonicContact OE2-CZ 3.47Å; E509-R547 IonicContact OE2-NE 3.83Å; E509-R547 PolarHBondContact OE2-NE 3.04Å; E509-R547 IonicContact OE2-NH2 3.43Å; E509-R547 PolarHBondContact OE2-NH2 3.29Å; S544-R547 PolarHBondContact O-NH1 3.42Å; R547-Q549 PolarHBondContact O-N 3.02Å; R547-A550 HydrophobicContact CB-CB 4.17Å; R547-A550 WeakPolarHBondContact O-CB 3.06Å; R547-A550 PolarHBondContact O-N 2.84Å
548	C	94.1	Very high	91.9	Very high	7 Å²	7	22.8 Å²	22.8	5%	0.047	14%	0.138	C	C	.	.	H	α-helix	trans	-54.3	-32.8	-168.4	-52.7	0	0	0	0	114.6	A550 Y551 C566 C573 S574	C548-A550 VanDerWaalsContact C-N 3.25Å; C548-A550 PolarHBondContact O-N 2.61Å; C548-Y551 PolarHBondContact O-N 3.43Å; C548-C566 WeakPolarHBondContact CA-SG 3.43Å; C548-C566 HydrophobicContact CB-CB 3.69Å; C548-C566 WeakPolarHBondContact CB-SG 3.27Å; C548-C566 WeakPolarHBondContact SG-CA 3.18Å; C548-C566 WeakPolarHBondContact SG-CB 3.47Å; C548-C566 CovalentContact SG-SG 2.04Å; C548-C566 PolarHBondContact SG-SG 2.98Å; C548-C573 HydrophobicContact CB-CB 4.42Å; C548-C573 WeakPolarHBondContact CB-O 3.24Å; C548-C573 WeakPolarHBondContact O-CB 3.22Å; C548-C573 PolarHBondContact O-SG 2.87Å; C548-C573 VanDerWaalsContact O-SG 3.41Å; C548-S574 VanDerWaalsContact SG-C 3.58Å; C548-S574 PolarHBondContact SG-O 2.75Å
549	Q	90.8	Very high	91.8	Very high	167 Å²	167	21 Å²	21	78%	0.78	13%	0.128	S	C	*	.	H	α-helix	trans	-65.9	-25.2	176.9	-63.8	178.6	1.5	0	0	113.5	R547 Y551 G552	R547-Q549 PolarHBondContact O-N 3.02Å; Q549-Y551 PolarHBondContact O-N 3Å; Q549-G552 PolarHBondContact O-N 2.99Å
550	A	90.6	Very high	91.7	Very high	27 Å²	27	21.1 Å²	21.1	22%	0.223	13%	0.128	C	C	.	.	H	α-helix	trans	-67.3	-25.8	178.5	0	0	0	0	0	112.3	R547 C548	R547-A550 HydrophobicContact CB-CB 4.17Å; R547-A550 WeakPolarHBondContact O-CB 3.06Å; R547-A550 PolarHBondContact O-N 2.84Å; C548-A550 VanDerWaalsContact C-N 3.25Å; C548-A550 PolarHBondContact O-N 2.61Å
551	Y	89.4	Confident	91.5	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-72.7	-30.7	179.7	-65.1	-58.3	0	0	0	113.5	V32 E509 C548 Q549 A561 D563	V32-Y551 HydrophobicContact CB-CE1 4.45Å; V32-Y551 HydrophobicContact CG2-CD1 3.49Å; V32-Y551 VanDerWaalsContact CG2-CD1 3.49Å; V32-Y551 HydrophobicContact CG2-CE1 3.68Å; E509-Y551 HydrophobicContact CG-CE1 4.05Å; E509-Y551 WeakPolarHBondContact CG-OH 3.42Å; E509-Y551 PolarHBondContact OE1-OH 2.94Å; C548-Y551 PolarHBondContact O-N 3.43Å; Q549-Y551 PolarHBondContact O-N 3Å; Y551-A561 HydrophobicContact CD1-CB 3.69Å; Y551-A561 HydrophobicContact CD2-CB 3.57Å; Y551-A561 HydrophobicContact CE1-CB 4.09Å; Y551-A561 HydrophobicContact CE2-CB 3.97Å; Y551-A561 HydrophobicContact CG-CB 3.41Å; Y551-A561 VanDerWaalsContact CG-CB 3.41Å; Y551-D563 HydrophobicContact CE2-CB 3.66Å; Y551-D563 WeakPolarHBondContact CE2-OD2 3.33Å; Y551-D563 PolarHBondContact OH-OD2 3.37Å
552	G	86.1	Confident	91.5	Very high	4 Å²	4	22.2 Å²	22.2	4%	0.041	13%	0.133	C	C	.	.			trans	143.5	172.2	179	0	0	0	0	0	113.3	Q549	Q549-G552 PolarHBondContact O-N 2.99Å
553	A	84.3	Confident	91.5	Very high	78 Å²	78	22 Å²	22	65%	0.645	13%	0.132	S	C	*	.	S	Bend	trans	-99.4	-9.9	-175.3	0	0	0	0	0	113.1	D557 W568	A553-D557 PolarHBondContact N-OD2 3.46Å; A553-W568 WeakPolarHBondContact O-CH2 3.35Å; A553-W568 WeakPolarHBondContact O-CZ3 3.43Å
554	A	86.3	Confident	91.6	Very high	41 Å²	41	21.9 Å²	21.9	34%	0.339	13%	0.131	S	C	.	.	S	Bend	trans	-93.5	154.5	178.6	0	0	0	0	0	112.2	A556 D557 C558 W568	A554-A556 PolarHBondContact O-N 3.46Å; A554-D557 WeakPolarHBondContact CB-OD2 3.46Å; A554-D557 PolarHBondContact N-OD2 2.94Å; A554-D557 PolarHBondContact O-N 3.13Å; A554-C558 PolarHBondContact O-N 3.23Å; A554-W568 VanDerWaalsContact C-CZ3 3.42Å
555	C	88.6	Confident	91.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-55.9	-41.7	172.6	-179.2	0	0	0	0	111.5	D557 C558 C559 W568 C598 F601	C555-D557 PolarHBondContact O-N 3.11Å; C555-C558 PolarHBondContact O-N 3.03Å; C555-C559 WeakPolarHBondContact O-CB 3.48Å; C555-C559 PolarHBondContact O-N 2.87Å; C555-W568 VanDerWaalsContact CA-CE3 3.47Å; C555-W568 HydrophobicContact CB-CD2 3.66Å; C555-W568 HydrophobicContact CB-CE3 4.11Å; C555-W568 HydrophobicContact CB-CG 3.9Å; C555-W568 HydrophobicContact CB-CZ2 4.18Å; C555-C598 HydrophobicContact CB-CB 3.71Å; C555-C598 WeakPolarHBondContact CB-SG 3.1Å; C555-C598 PolarHBondContact O-SG 3.04Å; C555-C598 VanDerWaalsContact SG-CA 3.52Å; C555-C598 WeakPolarHBondContact SG-CB 3.28Å; C555-C598 CovalentContact SG-SG 2.04Å; C555-C598 PolarHBondContact SG-SG 3.23Å; C555-F601 HydrophobicContact CB-CB 3.9Å
556	A	88.9	Confident	91.5	Very high	5 Å²	5	21.8 Å²	21.8	4%	0.041	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-43.2	179.2	0	0	0	0	0	112.4	A554 C558 C559 L560 P594 F685	A554-A556 PolarHBondContact O-N 3.46Å; A556-C558 VanDerWaalsContact C-N 3.33Å; A556-C558 PolarHBondContact O-N 3.11Å; A556-C559 PolarHBondContact O-N 3.06Å; A556-L560 WeakPolarHBondContact O-CB 3.48Å; A556-L560 VanDerWaalsContact O-CG 3.27Å; A556-L560 WeakPolarHBondContact O-CG 3.35Å; A556-L560 PolarHBondContact O-N 2.83Å; A556-P594 HydrophobicContact CB-CB 3.89Å; A556-P594 HydrophobicContact CB-CG 4.24Å; A556-F685 HydrophobicContact CB-CD1 4.46Å; A556-F685 HydrophobicContact CB-CE1 3.6Å; A556-F685 HydrophobicContact CB-CZ 3.67Å
557	D	88.9	Confident	91.5	Very high	26 Å²	26	20.2 Å²	20.2	14%	0.139	12%	0.123	C	C	.	.	H	α-helix	trans	-59.7	-45.9	177.6	-58.3	-26.9	0	0	0	111.1	A553 A554 C555 C559 L560 A561	A553-D557 PolarHBondContact N-OD2 3.46Å; A554-D557 WeakPolarHBondContact CB-OD2 3.46Å; A554-D557 PolarHBondContact N-OD2 2.94Å; A554-D557 PolarHBondContact O-N 3.13Å; C555-D557 PolarHBondContact O-N 3.11Å; D557-C559 PolarHBondContact O-N 3.01Å; D557-L560 PolarHBondContact O-N 3.18Å; D557-A561 PolarHBondContact O-N 3.08Å
558	C	91.6	Very high	91.4	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.034	12%	0.123	C	C	.	.	H	α-helix	trans	-65.3	-38.2	179.2	-160.3	0	0	0	0	112.6	A554 C555 A556 A561 W568 C573	A554-C558 PolarHBondContact O-N 3.23Å; C555-C558 PolarHBondContact O-N 3.03Å; A556-C558 VanDerWaalsContact C-N 3.33Å; A556-C558 PolarHBondContact O-N 3.11Å; C558-A561 VanDerWaalsContact O-CB 3.31Å; C558-A561 WeakPolarHBondContact O-CB 3.2Å; C558-A561 PolarHBondContact O-N 3.22Å; C558-W568 HydrophobicContact CB-CB 4.42Å; C558-W568 HydrophobicContact CB-CE3 4.27Å; C558-W568 PolarHBondContact SG-N 2.84Å; C558-W568 VanDerWaalsContact SG-N 3.37Å; C558-C573 WeakPolarHBondContact CA-SG 3.18Å; C558-C573 HydrophobicContact CB-CB 3.51Å; C558-C573 WeakPolarHBondContact CB-SG 3.1Å; C558-C573 WeakPolarHBondContact SG-CA 3.48Å; C558-C573 WeakPolarHBondContact SG-CB 3.24Å; C558-C573 CovalentContact SG-SG 2.04Å; C558-C573 PolarHBondContact SG-SG 3.14Å
559	C	91.5	Very high	91.1	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.02	13%	0.133	C	C	.	.	H	α-helix	trans	-70.8	-39.9	177.9	-173	0	0	0	0	112	C555 A556 D557 A561 G592 N593 P594	C555-C559 WeakPolarHBondContact O-CB 3.48Å; C555-C559 PolarHBondContact O-N 2.87Å; A556-C559 PolarHBondContact O-N 3.06Å; D557-C559 PolarHBondContact O-N 3.01Å; C559-A561 VanDerWaalsContact C-N 3.26Å; C559-A561 PolarHBondContact O-N 3.01Å; C559-G592 WeakPolarHBondContact O-CA 3.4Å; C559-N593 VanDerWaalsContact SG-C 3.57Å; C559-P594 HydrophobicContact CB-CG 4.24Å
560	L	91.8	Very high	90.8	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-69.9	-26.6	177.1	-70.2	165.3	0	0	0	111.6	R31 A556 D557 R562 P594 E682 N683 F685	R31-L560 VanDerWaalsContact CZ-O 3.27Å; R31-L560 PolarHBondContact NH1-O 3.35Å; A556-L560 WeakPolarHBondContact O-CB 3.48Å; A556-L560 VanDerWaalsContact O-CG 3.27Å; A556-L560 WeakPolarHBondContact O-CG 3.35Å; A556-L560 PolarHBondContact O-N 2.83Å; D557-L560 PolarHBondContact O-N 3.18Å; L560-R562 WeakPolarHBondContact O-CG 3.29Å; L560-R562 PolarHBondContact O-N 3.09Å; L560-R562 VanDerWaalsContact O-N 3.1Å; L560-P594 HydrophobicContact CD1-CG 4.16Å; L560-P594 HydrophobicContact CD2-CG 3.81Å; L560-P594 HydrophobicContact CG-CG 3.61Å; L560-E682 HydrophobicContact CD2-CG 4.44Å; L560-N683 HydrophobicContact CD2-CB 3.95Å; L560-F685 HydrophobicContact CD1-CD1 3.85Å; L560-F685 HydrophobicContact CD1-CE1 4.49Å; L560-F685 HydrophobicContact CD2-CB 4.29Å
561	A	93	Very high	90.6	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.008	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-33.7	176.3	0	0	0	0	0	113.8	R31 L508 Y551 D557 C558 C559 D563	R31-A561 VanDerWaalsContact NE-CA 3.35Å; L508-A561 WeakPolarHBondContact CD2-O 3.47Å; Y551-A561 HydrophobicContact CD1-CB 3.69Å; Y551-A561 HydrophobicContact CD2-CB 3.57Å; Y551-A561 HydrophobicContact CE1-CB 4.09Å; Y551-A561 HydrophobicContact CE2-CB 3.97Å; Y551-A561 HydrophobicContact CG-CB 3.41Å; Y551-A561 VanDerWaalsContact CG-CB 3.41Å; D557-A561 PolarHBondContact O-N 3.08Å; C558-A561 VanDerWaalsContact O-CB 3.31Å; C558-A561 WeakPolarHBondContact O-CB 3.2Å; C558-A561 PolarHBondContact O-N 3.22Å; C559-A561 VanDerWaalsContact C-N 3.26Å; C559-A561 PolarHBondContact O-N 3.01Å; A561-D563 PolarHBondContact O-N 2.82Å
562	R	94.1	Very high	90.6	Very high	24 Å²	24	24.2 Å²	24.2	9%	0.091	15%	0.151	C	C	.	.			trans	51	23.1	-178.2	-64.3	172.1	79.7	-176.7	3.7	113.3	I494 E504 L560 P564 V589 R590	I494-R562 WeakPolarHBondContact CD1-O 3.26Å; E504-R562 IonicContact OE1-CZ 2.82Å; E504-R562 IonicContact OE1-NH1 3.96Å; E504-R562 PolarHBondContact OE1-NH1 3.47Å; E504-R562 IonicContact OE1-NH2 2.67Å; E504-R562 IonicContact OE2-CZ 3.86Å; E504-R562 IonicContact OE2-NH1 3.78Å; E504-R562 PolarHBondContact OE2-NH1 3.43Å; E504-R562 IonicContact OE2-NH2 3.7Å; E504-R562 PolarHBondContact OE2-NH2 3.09Å; L560-R562 WeakPolarHBondContact O-CG 3.29Å; L560-R562 PolarHBondContact O-N 3.09Å; L560-R562 VanDerWaalsContact O-N 3.1Å; R562-P564 WeakPolarHBondContact O-CD 3.46Å; R562-V589 WeakPolarHBondContact CG-O 3.38Å; R562-V589 PolarHBondContact NE-O 3.15Å; R562-R590 PolarHBondContact NH2-O 3.18Å
563	D	96.1	Very high	90.8	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.011	15%	0.15	C	C	.	.			trans	-83.3	117.9	178.3	-177.9	-0.4	0	0	0	109.9	K492 L508 Y551 A561 Y565 C566 Q587	K492-D563 WeakPolarHBondContact CE-OD1 3.43Å; K492-D563 IonicContact NZ-OD1 3.06Å; K492-D563 PolarHBondContact NZ-OD1 2.99Å; K492-D563 IonicContact NZ-OD2 3.01Å; K492-D563 PolarHBondContact NZ-OD2 3.37Å; L508-D563 HydrophobicContact CD1-CB 4.14Å; Y551-D563 HydrophobicContact CE2-CB 3.66Å; Y551-D563 WeakPolarHBondContact CE2-OD2 3.33Å; Y551-D563 PolarHBondContact OH-OD2 3.37Å; A561-D563 PolarHBondContact O-N 2.82Å; D563-Y565 PolarHBondContact O-N 3.46Å; D563-Y565 VanDerWaalsContact O-N 3.11Å; D563-Y565 VanDerWaalsContact OD1-CD2 3.27Å; D563-Y565 WeakPolarHBondContact OD1-CD2 3.44Å; D563-Y565 PolarHBondContact OD1-N 3.48Å; D563-Y565 VanDerWaalsContact OD1-N 3.07Å; D563-C566 HydrophobicContact CB-CB 4.08Å; D563-C566 PolarHBondContact O-N 3.18Å; D563-C566 VanDerWaalsContact O-O 3.11Å; D563-C566 PolarHBondContact OD2-SG 2.81Å; D563-Q587 PolarHBondContact O-NE2 3.16Å
564	P	96.3	Very high	91.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.4	179	-24.8	34.1	0	0	0	113.8	V471 A473 Y478 V480 I494 R562 C566 Q587 V589	V471-P564 HydrophobicContact CB-CB 4.16Å; V471-P564 HydrophobicContact CG1-CB 3.95Å; A473-P564 HydrophobicContact CB-CB 4.23Å; Y478-P564 HydrophobicContact CD1-CG 4.49Å; Y478-P564 HydrophobicContact CD2-CB 4.29Å; Y478-P564 HydrophobicContact CD2-CG 4.32Å; Y478-P564 HydrophobicContact CG-CB 4.31Å; Y478-P564 HydrophobicContact CG-CG 3.92Å; V480-P564 HydrophobicContact CG2-CB 4.48Å; V480-P564 HydrophobicContact CG2-CG 3.98Å; I494-P564 HydrophobicContact CG2-CG 4.33Å; R562-P564 WeakPolarHBondContact O-CD 3.46Å; P564-C566 VanDerWaalsContact C-N 3.27Å; P564-C566 PolarHBondContact O-N 3.18Å; P564-Q587 PolarHBondContact O-NE2 2.8Å; P564-V589 HydrophobicContact CB-CG2 4.36Å; P564-V589 HydrophobicContact CG-CG1 3.99Å; P564-V589 HydrophobicContact CG-CG2 4.33Å
565	Y	96.3	Very high	91.6	Very high	5 Å²	5	25.4 Å²	25.4	2%	0.02	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-11.5	177.6	-64.3	-88.1	0	0	0	113.8	D469 V471 V480 F482 L545 H546 D563 R575 Y576	D469-Y565 VanDerWaalsContact CB-OH 3.22Å; D469-Y565 WeakPolarHBondContact CB-OH 3.41Å; D469-Y565 PolarHBondContact OD2-OH 2.68Å; V471-Y565 HydrophobicContact CB-CE1 4.45Å; V471-Y565 HydrophobicContact CG1-CD1 3.85Å; V471-Y565 HydrophobicContact CG1-CD2 4.4Å; V471-Y565 HydrophobicContact CG1-CE1 3.91Å; V471-Y565 HydrophobicContact CG1-CE2 4.47Å; V471-Y565 HydrophobicContact CG1-CG 4.13Å; V471-Y565 HydrophobicContact CG2-CD1 4.33Å; V471-Y565 HydrophobicContact CG2-CD2 4.32Å; V471-Y565 HydrophobicContact CG2-CE1 3.6Å; V471-Y565 HydrophobicContact CG2-CE2 3.62Å; V471-Y565 VanDerWaalsContact CG2-OH 3.29Å; V471-Y565 WeakPolarHBondContact CG2-OH 3.29Å; V480-Y565 HydrophobicContact CB-CE2 4.13Å; V480-Y565 HydrophobicContact CG1-CE2 4.07Å; V480-Y565 HydrophobicContact CG2-CE2 3.87Å; F482-Y565 HydrophobicContact CZ-CE2 4.29Å; L545-Y565 HydrophobicContact CB-CD1 4.49Å; L545-Y565 HydrophobicContact CB-CE1 3.85Å; L545-Y565 HydrophobicContact CB-CE2 4.38Å; L545-Y565 HydrophobicContact CD1-CE1 4.2Å; H546-Y565 HydrophobicContact CB-CD1 4.35Å; H546-Y565 HydrophobicContact CB-CG 4.02Å; D563-Y565 PolarHBondContact O-N 3.46Å; D563-Y565 VanDerWaalsContact O-N 3.11Å; D563-Y565 VanDerWaalsContact OD1-CD2 3.27Å; D563-Y565 WeakPolarHBondContact OD1-CD2 3.44Å; D563-Y565 PolarHBondContact OD1-N 3.48Å; D563-Y565 VanDerWaalsContact OD1-N 3.07Å; Y565-R575 CarbonylContact O-C 3.55Å; Y565-R575 WeakPolarHBondContact O-CA 3.13Å; Y565-Y576 PolarHBondContact O-N 3.24Å
566	C	95.3	Very high	91.7	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.014	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.4	-168.7	-62.2	0	0	0	0	112.8	C548 D563 P564 S574 Q587	C548-C566 WeakPolarHBondContact CA-SG 3.43Å; C548-C566 HydrophobicContact CB-CB 3.69Å; C548-C566 WeakPolarHBondContact CB-SG 3.27Å; C548-C566 WeakPolarHBondContact SG-CA 3.18Å; C548-C566 WeakPolarHBondContact SG-CB 3.47Å; C548-C566 CovalentContact SG-SG 2.04Å; C548-C566 PolarHBondContact SG-SG 2.98Å; D563-C566 HydrophobicContact CB-CB 4.08Å; D563-C566 PolarHBondContact O-N 3.18Å; D563-C566 VanDerWaalsContact O-O 3.11Å; D563-C566 PolarHBondContact OD2-SG 2.81Å; P564-C566 VanDerWaalsContact C-N 3.27Å; P564-C566 PolarHBondContact O-N 3.18Å; C566-S574 CarbonylContact C-O 3.48Å; C566-S574 WeakPolarHBondContact CA-O 3.48Å; C566-Q587 WeakPolarHBondContact O-CG 3.25Å; C566-Q587 PolarHBondContact O-NE2 3.21Å
567	A	93.7	Very high	91.5	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.041	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.6	176.1	0	0	0	0	0	110.4	S574 Y576 Q587	A567-S574 PolarHBondContact N-O 3.26Å; A567-S574 PolarHBondContact O-N 3.35Å; A567-Y576 HydrophobicContact CB-CD2 3.98Å; A567-Q587 HydrophobicContact CB-CB 3.92Å; A567-Q587 HydrophobicContact CB-CG 4.35Å
568	W	91.6	Very high	91	Very high	16 Å²	16	33.8 Å²	33.8	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	130	167.9	-177.2	-107.6	0	0	0	108.6	A553 A554 C555 C558 G570 Q571 A572 R585 R586 F601	A553-W568 WeakPolarHBondContact O-CH2 3.35Å; A553-W568 WeakPolarHBondContact O-CZ3 3.43Å; A554-W568 VanDerWaalsContact C-CZ3 3.42Å; C555-W568 VanDerWaalsContact CA-CE3 3.47Å; C555-W568 HydrophobicContact CB-CD2 3.66Å; C555-W568 HydrophobicContact CB-CE3 4.11Å; C555-W568 HydrophobicContact CB-CG 3.9Å; C555-W568 HydrophobicContact CB-CZ2 4.18Å; C558-W568 HydrophobicContact CB-CB 4.42Å; C558-W568 HydrophobicContact CB-CE3 4.27Å; C558-W568 PolarHBondContact SG-N 2.84Å; C558-W568 VanDerWaalsContact SG-N 3.37Å; W568-G570 VanDerWaalsContact CD1-N 3.3Å; W568-Q571 WeakPolarHBondContact CH2-O 3.12Å; W568-A572 VanDerWaalsContact CZ3-C 3.43Å; W568-A572 VanDerWaalsContact CZ3-CA 3.45Å; W568-R585 CarbonylContact O-C 3.52Å; W568-R585 WeakPolarHBondContact O-CA 3.24Å; W568-R586 HydrophobicContact CB-CB 4.15Å; W568-R586 PolarHBondContact N-O 3.12Å; W568-R586 PolarHBondContact O-N 2.89Å; W568-F601 AromaticContact NE1-CD1 3.59Å; W568-F601 AromaticContact NE1-CG 3.81Å
569	D	87.6	Confident	90	Very high	48 Å²	48	36.4 Å²	36.4	26%	0.257	21%	0.208	S	C	.	.			trans	-97	-7.2	178.4	60.4	24	0	0	0	114.8	Q571 A572 S574 S584	D569-Q571 PolarHBondContact OD1-N 2.9Å; D569-A572 PolarHBondContact N-O 2.89Å; D569-A572 VanDerWaalsContact N-O 3.11Å; D569-A572 PolarHBondContact OD1-N 2.91Å; D569-A572 VanDerWaalsContact OD1-O 3.14Å; D569-S574 WeakPolarHBondContact CB-OG 3.13Å; D569-S574 VanDerWaalsContact CG-OG 3.28Å; D569-S574 VanDerWaalsContact OD2-CB 3.3Å; D569-S574 WeakPolarHBondContact OD2-CB 3.35Å; D569-S574 PolarHBondContact OD2-OG 2.93Å; D569-S584 WeakPolarHBondContact O-CB 3.49Å; D569-S584 PolarHBondContact O-OG 3.22Å
570	G	85.6	Confident	88.5	Confident	22 Å²	22	41.2 Å²	41.2	23%	0.227	24%	0.242	C	C	.	.	S	Bend	trans	117.1	-22.6	-172	0	0	0	0	0	112.9	W568	W568-G570 VanDerWaalsContact CD1-N 3.3Å
571	Q	85	Confident	86.9	Confident	176 Å²	176	49.9 Å²	49.9	82%	0.822	28%	0.28	S	S	*	.	S	Bend	trans	-125.9	-40.6	-178.7	-66.6	-172.3	-18	0	0	113	W568 D569	W568-Q571 WeakPolarHBondContact CH2-O 3.12Å; D569-Q571 PolarHBondContact OD1-N 2.9Å
572	A	89.9	Confident	85.6	Confident	42 Å²	42	59.4 Å²	59.4	35%	0.347	32%	0.315	S	S	.	.	S	Bend	trans	-144.4	164	-176.9	0	0	0	0	0	111.9	W568 D569 S574	W568-A572 VanDerWaalsContact CZ3-C 3.43Å; W568-A572 VanDerWaalsContact CZ3-CA 3.45Å; D569-A572 PolarHBondContact N-O 2.89Å; D569-A572 VanDerWaalsContact N-O 3.11Å; D569-A572 PolarHBondContact OD1-N 2.91Å; D569-A572 VanDerWaalsContact OD1-O 3.14Å; A572-S574 PolarHBondContact O-N 2.86Å
573	C	91.6	Very high	84.1	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.014	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	111.9	166.2	-162.6	0	0	0	0	109.1	C548 C558	C548-C573 HydrophobicContact CB-CB 4.42Å; C548-C573 WeakPolarHBondContact CB-O 3.24Å; C548-C573 WeakPolarHBondContact O-CB 3.22Å; C548-C573 PolarHBondContact O-SG 2.87Å; C548-C573 VanDerWaalsContact O-SG 3.41Å; C558-C573 WeakPolarHBondContact CA-SG 3.18Å; C558-C573 HydrophobicContact CB-CB 3.51Å; C558-C573 WeakPolarHBondContact CB-SG 3.1Å; C558-C573 WeakPolarHBondContact SG-CA 3.48Å; C558-C573 WeakPolarHBondContact SG-CB 3.24Å; C558-C573 CovalentContact SG-SG 2.04Å; C558-C573 PolarHBondContact SG-SG 3.14Å
574	S	92.8	Very high	82.6	Confident	32 Å²	32	71.4 Å²	71.4	22%	0.224	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	173.2	-172.2	63.7	0	0	0	0	111.3	C548 C566 A567 D569 A572 Y576	C548-S574 VanDerWaalsContact SG-C 3.58Å; C548-S574 PolarHBondContact SG-O 2.75Å; C566-S574 CarbonylContact C-O 3.48Å; C566-S574 WeakPolarHBondContact CA-O 3.48Å; A567-S574 PolarHBondContact N-O 3.26Å; A567-S574 PolarHBondContact O-N 3.35Å; D569-S574 WeakPolarHBondContact CB-OG 3.13Å; D569-S574 VanDerWaalsContact CG-OG 3.28Å; D569-S574 VanDerWaalsContact OD2-CB 3.3Å; D569-S574 WeakPolarHBondContact OD2-CB 3.35Å; D569-S574 PolarHBondContact OD2-OG 2.93Å; A572-S574 PolarHBondContact O-N 2.86Å; S574-Y576 PolarHBondContact O-N 3.37Å
575	R	92.7	Very high	81.9	Confident	114 Å²	114	75.6 Å²	75.6	43%	0.43	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	131.7	-179.2	-171.1	-166.9	176.6	-178.4	-11.9	110.6	Q530 H546 Y565 T577	Q530-R575 VanDerWaalsContact OE1-NH2 3.15Å; H546-R575 VanDerWaalsContact NE2-CD 3.28Å; H546-R575 WeakPolarHBondContact NE2-CD 3.27Å; Y565-R575 CarbonylContact O-C 3.55Å; Y565-R575 WeakPolarHBondContact O-CA 3.13Å; R575-T577 PolarHBondContact O-N 2.93Å
576	Y	91.4	Very high	81.5	Confident	53 Å²	53	78.5 Å²	78.5	21%	0.208	39%	0.394	C	S	.	.			trans	-59.7	132.6	171.2	178.5	-100.2	0	0	0	110.5	D472 A473 A474 Y565 A567 S574 Q587	D472-Y576 WeakPolarHBondContact O-CD1 3.43Å; D472-Y576 VanDerWaalsContact O-CE1 3.23Å; D472-Y576 WeakPolarHBondContact O-CE1 3.1Å; A473-Y576 PolarHBondContact O-OH 2.84Å; A474-Y576 HydrophobicContact CB-CE2 3.97Å; Y565-Y576 PolarHBondContact O-N 3.24Å; A567-Y576 HydrophobicContact CB-CD2 3.98Å; S574-Y576 PolarHBondContact O-N 3.37Å; Y576-Q587 VanDerWaalsContact CD2-OE1 3.29Å
577	T	86	Confident	81.3	Confident	63 Å²	63	79.3 Å²	79.3	39%	0.387	40%	0.397	S	S	.	.			trans	-138.7	132.1	173	47.1	0	0	0	0	108.6	R575 S579 R585	R575-T577 PolarHBondContact O-N 2.93Å; T577-S579 PolarHBondContact O-N 2.89Å; T577-R585 PolarHBondContact O-NH1 3.05Å; T577-R585 PolarHBondContact OG1-NH1 3.34Å; T577-R585 PolarHBondContact OG1-NH2 2.92Å
578	A	77.4	Confident	81.2	Confident	93 Å²	93	79.8 Å²	79.8	77%	0.769	40%	0.399	S	S	*	.			trans	-72.3	87.7	176.1	0	0	0	0	0	109.9
579	S	71.6	Confident	81.3	Confident	60 Å²	60	79 Å²	79	42%	0.42	40%	0.396	S	S	.	.			trans	-119.6	145.7	176.6	-176.7	0	0	0	0	111.6	T577	T577-S579 PolarHBondContact O-N 2.89Å
580	S	58.3	Low	81.5	Confident	103 Å²	103	81.9 Å²	81.9	72%	0.72	40%	0.404	S	S	*	.	S	Bend	trans	-80.2	-11.5	-177	68.9	0	0	0	0	114.6	R582	S580-R582 WeakPolarHBondContact O-CG 3.32Å; S580-R582 PolarHBondContact O-N 3.28Å
581	K	59.7	Low	81.7	Confident	185 Å²	185	86.4 Å²	86.4	80%	0.804	42%	0.419	S	S	*	.			trans	-90.1	94.9	-178.2	-64.1	-171.3	-178.6	-179	0	110.6
582	R	64.6	Low	81.9	Confident	201 Å²	201	78 Å²	78	76%	0.758	38%	0.38	S	S	*	.			trans	-109.8	2.9	-141.5	-97.6	-178.4	179.8	-151.9	1.1	120.1	S580	S580-R582 WeakPolarHBondContact O-CG 3.32Å; S580-R582 PolarHBondContact O-N 3.28Å
583	R	62.3	Low	81.9	Confident	233 Å²	233	78.4 Å²	78.4	88%	0.879	38%	0.376	S	S	*	.	S	Bend	trans	-79.7	-28.9	-164.5	-69.4	-171.4	-148.8	-140.9	4.3	116.5	R586	R583-R586 VanDerWaalsContact O-CZ 3.3Å; R583-R586 PolarHBondContact O-NH1 3.06Å; R583-R586 PolarHBondContact O-NH2 2.84Å
584	S	66	Low	81.7	Confident	44 Å²	44	78.3 Å²	78.3	31%	0.308	38%	0.375	S	S	.	.	S	Bend	trans	-105.3	-11.5	-173.6	55.1	0	0	0	0	115.8	D569	D569-S584 WeakPolarHBondContact O-CB 3.49Å; D569-S584 PolarHBondContact O-OG 3.22Å
585	R	80.9	Confident	81.4	Confident	88 Å²	88	81.2 Å²	81.2	33%	0.332	39%	0.387	S	S	.	.			trans	-76.1	132.4	-175.6	-83.6	177.2	-176	-176.3	-2	113.3	W568 T577	W568-R585 CarbonylContact O-C 3.52Å; W568-R585 WeakPolarHBondContact O-CA 3.24Å; T577-R585 PolarHBondContact O-NH1 3.05Å; T577-R585 PolarHBondContact OG1-NH1 3.34Å; T577-R585 PolarHBondContact OG1-NH2 2.92Å
586	R	87.8	Confident	81.1	Confident	66 Å²	66	84.9 Å²	84.9	25%	0.249	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-137.1	128.9	-178.6	-56.4	-66.8	-179.8	-93.9	-4.8	110.8	W568 R583 Q597	W568-R586 HydrophobicContact CB-CB 4.15Å; W568-R586 PolarHBondContact N-O 3.12Å; W568-R586 PolarHBondContact O-N 2.89Å; R583-R586 VanDerWaalsContact O-CZ 3.3Å; R583-R586 PolarHBondContact O-NH1 3.06Å; R583-R586 PolarHBondContact O-NH2 2.84Å; R586-Q597 HydrophobicContact CB-CB 4.21Å; R586-Q597 WeakPolarHBondContact CD-O 3.21Å; R586-Q597 VanDerWaalsContact CG-O 3.22Å; R586-Q597 WeakPolarHBondContact CG-O 3.44Å; R586-Q597 PolarHBondContact NE-O 3.16Å
587	Q	91.7	Very high	80.8	Confident	19 Å²	19	84.9 Å²	84.9	9%	0.089	40%	0.403	C	S	.	.			trans	-150.1	141.6	175	-170.8	-177.2	40.9	0	0	107.5	A474 D563 P564 C566 A567 Y576 V589	A474-Q587 HydrophobicContact CB-CB 4.08Å; D563-Q587 PolarHBondContact O-NE2 3.16Å; P564-Q587 PolarHBondContact O-NE2 2.8Å; C566-Q587 WeakPolarHBondContact O-CG 3.25Å; C566-Q587 PolarHBondContact O-NE2 3.21Å; A567-Q587 HydrophobicContact CB-CB 3.92Å; A567-Q587 HydrophobicContact CB-CG 4.35Å; Y576-Q587 VanDerWaalsContact CD2-OE1 3.29Å; Q587-V589 HydrophobicContact CG-CG2 4.01Å
588	D	91.3	Very high	80.8	Confident	15 Å²	15	81.9 Å²	81.9	8%	0.08	38%	0.384	C	S	.	.			trans	-150.7	84.5	177.1	-178.7	1.1	0	0	0	107.6	H591 G592 N593 Q597	D588-H591 WeakPolarHBondContact OD1-CA 3.28Å; D588-H591 WeakPolarHBondContact OD1-CB 3.44Å; D588-H591 IonicContact OD1-CD2 3.4Å; D588-H591 IonicContact OD1-CG 3.09Å; D588-H591 PolarHBondContact OD1-N 3.48Å; D588-G592 VanDerWaalsContact CG-N 3.31Å; D588-G592 WeakPolarHBondContact O-CA 3.12Å; D588-G592 PolarHBondContact O-N 2.75Å; D588-G592 PolarHBondContact OD1-N 3.04Å; D588-G592 PolarHBondContact OD2-N 3.41Å; D588-N593 WeakPolarHBondContact OD2-CB 3.25Å; D588-N593 PolarHBondContact OD2-N 2.89Å; D588-Q597 HydrophobicContact CB-CG 3.73Å
589	V	93.6	Very high	80.9	Confident	0 Å²	0	86.4 Å²	86.4	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-47.2	-178.2	176.5	0	0	0	0	109.4	A473 Y478 I494 R562 P564 Q587	A473-V589 HydrophobicContact CB-CG2 4.04Å; Y478-V589 HydrophobicContact CD1-CG1 3.76Å; Y478-V589 HydrophobicContact CD2-CG1 4.31Å; Y478-V589 HydrophobicContact CE1-CB 4.12Å; Y478-V589 HydrophobicContact CE1-CG1 3.41Å; Y478-V589 VanDerWaalsContact CE1-CG1 3.41Å; Y478-V589 HydrophobicContact CE2-CB 4.04Å; Y478-V589 HydrophobicContact CE2-CG1 4.03Å; Y478-V589 HydrophobicContact CE2-CG2 4.31Å; Y478-V589 HydrophobicContact CG-CG1 4.19Å; I494-V589 HydrophobicContact CD1-CG1 3.98Å; R562-V589 WeakPolarHBondContact CG-O 3.38Å; R562-V589 PolarHBondContact NE-O 3.15Å; P564-V589 HydrophobicContact CB-CG2 4.36Å; P564-V589 HydrophobicContact CG-CG1 3.99Å; P564-V589 HydrophobicContact CG-CG2 4.33Å; Q587-V589 HydrophobicContact CG-CG2 4.01Å
590	R	90.8	Very high	80.7	Confident	108 Å²	108	86.4 Å²	86.4	41%	0.408	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-44.3	-174.5	-174.7	174.5	-99.3	-111.2	4.9	113.2	D475 P497 R562	D475-R590 PolarHBondContact OD2-N 2.94Å; P497-R590 VanDerWaalsContact CG-NH2 3.29Å; R562-R590 PolarHBondContact NH2-O 3.18Å
591	H	89.6	Confident	81	Confident	118 Å²	118	85 Å²	85	55%	0.546	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-19.6	-173	-53.9	-69.5	0	0	0	114	D588 N593 N683	D588-H591 WeakPolarHBondContact OD1-CA 3.28Å; D588-H591 WeakPolarHBondContact OD1-CB 3.44Å; D588-H591 IonicContact OD1-CD2 3.4Å; D588-H591 IonicContact OD1-CG 3.09Å; D588-H591 PolarHBondContact OD1-N 3.48Å; H591-N593 PolarHBondContact O-N 3.3Å; H591-N683 PolarHBondContact O-ND2 2.87Å
592	G	90.2	Very high	81	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	35%	0.35	C	S	.	.			trans	52.3	49.2	-179.8	0	0	0	0	0	113.3	C559 D588 P594 N683	C559-G592 WeakPolarHBondContact O-CA 3.4Å; D588-G592 VanDerWaalsContact CG-N 3.31Å; D588-G592 WeakPolarHBondContact O-CA 3.12Å; D588-G592 PolarHBondContact O-N 2.75Å; D588-G592 PolarHBondContact OD1-N 3.04Å; D588-G592 PolarHBondContact OD2-N 3.41Å; G592-P594 VanDerWaalsContact O-CD 3.25Å; G592-P594 WeakPolarHBondContact O-CD 3.36Å; G592-N683 PolarHBondContact O-ND2 2.78Å
593	N	89.4	Confident	80.3	Confident	49 Å²	49	72.7 Å²	72.7	26%	0.262	34%	0.335	S	S	.	.			trans	-104.4	98.2	-171.9	-174	-21	0	0	0	113.7	C559 D588 H591 I595 R596 Q597	C559-N593 VanDerWaalsContact SG-C 3.57Å; D588-N593 WeakPolarHBondContact OD2-CB 3.25Å; D588-N593 PolarHBondContact OD2-N 2.89Å; H591-N593 PolarHBondContact O-N 3.3Å; N593-I595 VanDerWaalsContact C-N 3.28Å; N593-I595 PolarHBondContact O-N 3.04Å; N593-I595 WeakPolarHBondContact OD1-CB 3.42Å; N593-I595 PolarHBondContact OD1-N 3.01Å; N593-R596 PolarHBondContact O-N 2.72Å; N593-R596 PolarHBondContact OD1-N 3.02Å; N593-Q597 WeakPolarHBondContact O-CG 3.41Å; N593-Q597 PolarHBondContact O-N 3.26Å
594	P	88.8	Confident	79.5	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.006	34%	0.335	C	S	.	.	H	α-helix	trans	-67.7	-24.4	-179.1	-21.9	36	0	0	0	114	A556 C559 L560 G592 R596 Q597 C598 F685	A556-P594 HydrophobicContact CB-CB 3.89Å; A556-P594 HydrophobicContact CB-CG 4.24Å; C559-P594 HydrophobicContact CB-CG 4.24Å; L560-P594 HydrophobicContact CD1-CG 4.16Å; L560-P594 HydrophobicContact CD2-CG 3.81Å; L560-P594 HydrophobicContact CG-CG 3.61Å; G592-P594 VanDerWaalsContact O-CD 3.25Å; G592-P594 WeakPolarHBondContact O-CD 3.36Å; P594-R596 VanDerWaalsContact C-N 3.27Å; P594-R596 PolarHBondContact O-N 3.13Å; P594-Q597 PolarHBondContact O-N 3.45Å; P594-C598 WeakPolarHBondContact O-CA 3.07Å; P594-C598 VanDerWaalsContact O-CB 3.31Å; P594-C598 WeakPolarHBondContact O-CB 3.28Å; P594-C598 PolarHBondContact O-N 2.73Å; P594-F685 HydrophobicContact CB-CD2 3.77Å; P594-F685 HydrophobicContact CB-CE2 3.79Å; P594-F685 HydrophobicContact CB-CG 4.14Å; P594-F685 HydrophobicContact CB-CZ 4.18Å; P594-F685 HydrophobicContact CG-CB 4.17Å; P594-F685 HydrophobicContact CG-CD1 4.16Å; P594-F685 HydrophobicContact CG-CD2 3.95Å; P594-F685 HydrophobicContact CG-CE2 4.38Å; P594-F685 HydrophobicContact CG-CG 3.82Å
595	I	86.2	Confident	78.6	Confident	92 Å²	92	71.2 Å²	71.2	47%	0.472	35%	0.353	S	S	.	.	H	α-helix	trans	-67	-33.3	-176.5	-58.5	175.2	0	0	0	110.8	N593 R599 F685	N593-I595 VanDerWaalsContact C-N 3.28Å; N593-I595 PolarHBondContact O-N 3.04Å; N593-I595 WeakPolarHBondContact OD1-CB 3.42Å; N593-I595 PolarHBondContact OD1-N 3.01Å; I595-R599 WeakPolarHBondContact O-CG 3.44Å; I595-R599 PolarHBondContact O-NE 2.7Å; I595-F685 HydrophobicContact CG1-CD2 3.95Å; I595-F685 HydrophobicContact CG1-CE2 4.47Å
596	R	85.1	Confident	77	Confident	192 Å²	192	73.3 Å²	73.3	73%	0.725	37%	0.371	S	S	*	.	H	α-helix	trans	-86.4	-43.8	175.4	-68.1	-173.4	176.5	-161.4	0.7	111.2	N593 P594	N593-R596 PolarHBondContact O-N 2.72Å; N593-R596 PolarHBondContact OD1-N 3.02Å; P594-R596 VanDerWaalsContact C-N 3.27Å; P594-R596 PolarHBondContact O-N 3.13Å
597	Q	86.1	Confident	75.4	Confident	52 Å²	52	77.2 Å²	77.2	24%	0.243	39%	0.39	C	S	.	.	H	α-helix	trans	-78.1	-39.4	-171	-64.4	-58.6	-19.2	0	0	113.7	R586 D588 N593 P594	R586-Q597 HydrophobicContact CB-CB 4.21Å; R586-Q597 WeakPolarHBondContact CD-O 3.21Å; R586-Q597 VanDerWaalsContact CG-O 3.22Å; R586-Q597 WeakPolarHBondContact CG-O 3.44Å; R586-Q597 PolarHBondContact NE-O 3.16Å; D588-Q597 HydrophobicContact CB-CG 3.73Å; N593-Q597 WeakPolarHBondContact O-CG 3.41Å; N593-Q597 PolarHBondContact O-N 3.26Å; P594-Q597 PolarHBondContact O-N 3.45Å
598	C	84.9	Confident	73.5	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	42%	0.419	C	S	.	.			trans	-104.1	20.1	-167.7	-63.1	0	0	0	0	114.7	C555 P594 G600 F601 N602	C555-C598 HydrophobicContact CB-CB 3.71Å; C555-C598 WeakPolarHBondContact CB-SG 3.1Å; C555-C598 PolarHBondContact O-SG 3.04Å; C555-C598 VanDerWaalsContact SG-CA 3.52Å; C555-C598 WeakPolarHBondContact SG-CB 3.28Å; C555-C598 CovalentContact SG-SG 2.04Å; C555-C598 PolarHBondContact SG-SG 3.23Å; P594-C598 WeakPolarHBondContact O-CA 3.07Å; P594-C598 VanDerWaalsContact O-CB 3.31Å; P594-C598 WeakPolarHBondContact O-CB 3.28Å; P594-C598 PolarHBondContact O-N 2.73Å; C598-G600 PolarHBondContact O-N 2.71Å; C598-F601 PolarHBondContact O-N 3.05Å; C598-N602 WeakPolarHBondContact CB-ND2 3.47Å; C598-N602 WeakPolarHBondContact CB-OD1 3.5Å; C598-N602 PolarHBondContact O-N 2.98Å
599	R	79.1	Confident	71.8	Confident	188 Å²	188	83.6 Å²	83.6	71%	0.709	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	123.3	175.3	-66.6	-168.6	177	-170	-2.5	110.2	I595 F601	I595-R599 WeakPolarHBondContact O-CG 3.44Å; I595-R599 PolarHBondContact O-NE 2.7Å; R599-F601 VanDerWaalsContact C-N 3.32Å; R599-F601 PolarHBondContact O-N 2.68Å
600	G	68.4	Low	70.2	Confident	61 Å²	61	86.8 Å²	86.8	63%	0.629	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-15.6	-178.1	0	0	0	0	0	115.3	C598	C598-G600 PolarHBondContact O-N 2.71Å
601	F	64.4	Low	69.2	Low	73 Å²	73	87.4 Å²	87.4	32%	0.32	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-22	174.6	-66.6	-78.9	0	0	0	112.7	C555 W568 C598 R599 S603	C555-F601 HydrophobicContact CB-CB 3.9Å; W568-F601 AromaticContact NE1-CD1 3.59Å; W568-F601 AromaticContact NE1-CG 3.81Å; C598-F601 PolarHBondContact O-N 3.05Å; R599-F601 VanDerWaalsContact C-N 3.32Å; R599-F601 PolarHBondContact O-N 2.68Å; F601-S603 PolarHBondContact O-N 3.1Å
602	N	59.6	Low	68.8	Low	62 Å²	62	83.8 Å²	83.8	33%	0.332	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	19.2	173.7	-69.5	-15	0	0	0	113.7	C598	C598-N602 WeakPolarHBondContact CB-ND2 3.47Å; C598-N602 WeakPolarHBondContact CB-OD1 3.5Å; C598-N602 PolarHBondContact O-N 2.98Å
603	S	49.7	Very low	68.7	Low	65 Å²	65	87 Å²	87	46%	0.455	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-4.6	-165.8	-70.3	0	0	0	0	116.6	F601	F601-S603 PolarHBondContact O-N 3.1Å
604	N	46.1	Very low	68.9	Low	161 Å²	161	87.3 Å²	87.3	86%	0.861	46%	0.464	S	S	*	.			trans	-119.6	12.2	-172.1	-67.9	-1.3	0	0	0	116.2
605	A	46.9	Very low	68.9	Low	85 Å²	85	91.1 Å²	91.1	70%	0.702	48%	0.479	S	S	*	.	S	Bend	trans	-88.9	110	160.3	0	0	0	0	0	107.1	K607	A605-K607 PolarHBondContact O-N 3.01Å
606	N	48.1	Very low	69.2	Low	132 Å²	132	87.1 Å²	87.1	71%	0.706	46%	0.46	S	S	*	.			trans	-36	105.1	-179.5	-101.6	-25.5	0	0	0	111.3	N608 A609	N606-N608 PolarHBondContact O-N 3.32Å; N606-A609 HydrophobicContact CB-CB 3.44Å; N606-A609 VanDerWaalsContact CB-CB 3.44Å; N606-A609 PolarHBondContact O-N 3.45Å; N606-A609 VanDerWaalsContact O-N 3.16Å
607	K	52.7	Low	69.5	Low	149 Å²	149	80.1 Å²	80.1	65%	0.648	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-9.2	-173.6	-76.9	-178.7	177.8	176	0	113.6	A605 R691	A605-K607 PolarHBondContact O-N 3.01Å; K607-R691 PolarHBondContact O-NH1 2.93Å; K607-R691 PolarHBondContact O-NH2 2.72Å
608	N	51.8	Low	69.8	Low	131 Å²	131	78.9 Å²	78.9	70%	0.701	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137	9	-178.8	-65.3	-27.3	0	0	0	114.8	N606 V610	N606-N608 PolarHBondContact O-N 3.32Å; N608-V610 PolarHBondContact O-N 2.9Å
609	A	55.8	Low	70	Confident	37 Å²	37	81.8 Å²	81.8	31%	0.306	47%	0.467	S	S	.	.			trans	-68.9	129.3	177	0	0	0	0	0	109.9	N606 E611	N606-A609 HydrophobicContact CB-CB 3.44Å; N606-A609 VanDerWaalsContact CB-CB 3.44Å; N606-A609 PolarHBondContact O-N 3.45Å; N606-A609 VanDerWaalsContact O-N 3.16Å; A609-E611 PolarHBondContact O-N 3.46Å
610	V	60.7	Low	70.6	Confident	66 Å²	66	75 Å²	75	40%	0.4	45%	0.449	S	S	.	.			trans	-69.2	122.1	165	176.1	0	0	0	0	106.4	N608 S612 V613 L675 Q693	N608-V610 PolarHBondContact O-N 2.9Å; V610-S612 WeakPolarHBondContact CG1-O 3.34Å; V610-V613 HydrophobicContact CG1-CG2 4.09Å; V610-L675 HydrophobicContact CG2-CD1 4.07Å; V610-Q693 HydrophobicContact CG1-CB 3.6Å; V610-Q693 HydrophobicContact CG2-CB 4.36Å
611	E	69.6	Low	71.8	Confident	121 Å²	121	75 Å²	75	57%	0.565	44%	0.443	S	S	*	.			trans	-87.3	-27.5	-178.7	-76.1	178.3	-177.6	0	0	112	A609 T690 R691	A609-E611 PolarHBondContact O-N 3.46Å; E611-T690 WeakPolarHBondContact OE2-CA 3.1Å; E611-T690 VanDerWaalsContact OE2-CB 3.22Å; E611-T690 WeakPolarHBondContact OE2-CB 3.29Å; E611-T690 PolarHBondContact OE2-OG1 2.9Å; E611-R691 PolarHBondContact N-O 3.12Å
612	S	81.1	Confident	73.2	Confident	43 Å²	43	72.2 Å²	72.2	30%	0.301	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	143.8	174.5	58	0	0	0	0	112.2	V610 R691 V692 Q693	V610-S612 WeakPolarHBondContact CG1-O 3.34Å; S612-R691 PolarHBondContact N-O 2.9Å; S612-V692 CarbonylContact O-C 3.57Å; S612-V692 WeakPolarHBondContact O-CA 3.05Å; S612-Q693 PolarHBondContact O-N 3.29Å
613	V	88.7	Confident	74.8	Confident	66 Å²	66	73 Å²	73	40%	0.4	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.2	170.4	-176	0	0	0	0	107.2	V610 Y615 Q693	V610-V613 HydrophobicContact CG1-CG2 4.09Å; V613-Y615 HydrophobicContact CG1-CE2 3.87Å; V613-Q693 WeakPolarHBondContact CA-O 3.47Å; V613-Q693 HydrophobicContact CG2-CB 4.35Å
614	Q	92.1	Very high	76.9	Confident	57 Å²	57	70 Å²	70	27%	0.266	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	144.1	177.3	-70.5	-169.3	5.3	0	0	110.6	F623 L624 V692 Q693 L694 H695	Q614-F623 PolarHBondContact OE1-O 2.61Å; Q614-L624 VanDerWaalsContact OE1-CD2 3.23Å; Q614-V692 HydrophobicContact CB-CG1 4.15Å; Q614-V692 HydrophobicContact CG-CG1 3.82Å; Q614-Q693 PolarHBondContact N-O 3.44Å; Q614-L694 HydrophobicContact CB-CD1 4.11Å; Q614-L694 WeakPolarHBondContact O-CA 3.27Å; Q614-H695 PolarHBondContact O-N 3.32Å
615	Y	90.4	Very high	79.1	Confident	81 Å²	81	68.1 Å²	68.1	32%	0.318	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.6	176.8	-65	-86.2	0	0	0	109.7	V613 H695 L733	V613-Y615 HydrophobicContact CG1-CE2 3.87Å; Y615-H695 CarbonylContact C-O 3.57Å; Y615-H695 WeakPolarHBondContact CA-O 3.21Å; Y615-H695 HydrophobicContact CD1-CB 3.5Å; Y615-H695 VanDerWaalsContact CD1-CB 3.5Å; Y615-H695 HydrophobicContact CE1-CB 3.62Å; Y615-H695 AromaticContact CE1-CG 3.81Å; Y615-H695 HydrophobicContact CG-CB 4.41Å; Y615-L733 HydrophobicContact CE1-CD2 3.68Å; Y615-L733 WeakPolarHBondContact OH-CD2 3.22Å
616	G	91.1	Very high	81.1	Confident	8 Å²	8	64.4 Å²	64.4	8%	0.082	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	160.2	172.4	0	0	0	0	0	111.3	L668 H695 V696 L697	G616-L668 VanDerWaalsContact CA-CD1 3.5Å; G616-H695 PolarHBondContact N-O 3Å; G616-V696 CarbonylContact O-C 3.58Å; G616-V696 WeakPolarHBondContact O-CA 3.23Å; G616-L697 PolarHBondContact O-N 2.76Å
617	V	91.8	Very high	82.9	Confident	45 Å²	45	64.1 Å²	64.1	27%	0.273	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.5	178.7	-175.5	0	0	0	0	108.5	G619 S620 L697 R699 V702	V617-G619 PolarHBondContact O-N 3.21Å; V617-S620 PolarHBondContact N-OG 2.79Å; V617-S620 WeakPolarHBondContact O-CB 3.33Å; V617-S620 PolarHBondContact O-N 2.63Å; V617-S620 PolarHBondContact O-OG 2.95Å; V617-L697 WeakPolarHBondContact CA-O 3.37Å; V617-R699 HydrophobicContact CG1-CB 4.31Å; V617-V702 HydrophobicContact CG1-CG2 4.3Å; V617-V702 HydrophobicContact CG2-CG2 4.15Å
618	A	92	Very high	84.3	Confident	25 Å²	25	58.1 Å²	58.1	21%	0.207	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	127.2	176.7	0	0	0	0	0	110.8	L668 V696 L697	A618-L668 WeakPolarHBondContact CA-O 3.27Å; A618-V696 HydrophobicContact CB-CG1 4.28Å; A618-L697 PolarHBondContact N-O 2.76Å
619	G	89.4	Confident	85.6	Confident	61 Å²	61	60.1 Å²	60.1	63%	0.629	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-10.9	-174.6	0	0	0	0	0	115.8	V617 L668	V617-G619 PolarHBondContact O-N 3.21Å; G619-L668 PolarHBondContact N-O 3.34Å
620	S	91.9	Very high	86.9	Confident	46 Å²	46	58.6 Å²	58.6	32%	0.322	32%	0.323	S	S	.	.	S	Bend	trans	-83.6	166.1	170.4	80.4	0	0	0	0	111.4	V617 L668	V617-S620 PolarHBondContact N-OG 2.79Å; V617-S620 WeakPolarHBondContact O-CB 3.33Å; V617-S620 PolarHBondContact O-N 2.63Å; V617-S620 PolarHBondContact O-OG 2.95Å; S620-L668 WeakPolarHBondContact O-CB 3.03Å; S620-L668 WeakPolarHBondContact O-CG 3.42Å; S620-L668 PolarHBondContact O-N 2.98Å
621	A	93.3	Very high	88.1	Confident	62 Å²	62	59.1 Å²	59.1	51%	0.512	33%	0.327	S	S	.	.			trans	-85.9	155	168.4	0	0	0	0	0	110.9	L665	A621-L665 CarbonylContact C-O 3.58Å; A621-L665 WeakPolarHBondContact CA-O 3.19Å; A621-L665 WeakPolarHBondContact CB-O 3.1Å
622	A	93.7	Very high	88.8	Confident	14 Å²	14	57 Å²	57	12%	0.116	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144	169.5	0	0	0	0	0	111	L665 L668	A622-L665 PolarHBondContact N-O 3.43Å; A622-L665 PolarHBondContact O-N 3.29Å; A622-L668 HydrophobicContact CB-CD1 3.89Å; A622-L668 HydrophobicContact CB-CD2 3.97Å; A622-L668 HydrophobicContact CB-CG 4.1Å
623	F	94.4	Very high	89.1	Confident	79 Å²	79	55.6 Å²	55.6	35%	0.346	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.9	178.9	-176.8	-106.9	0	0	0	110	Q614 E625 T659 Q661 L663 L664	Q614-F623 PolarHBondContact OE1-O 2.61Å; F623-E625 HydrophobicContact CE1-CB 4.21Å; F623-E625 HydrophobicContact CE1-CG 4.48Å; F623-T659 HydrophobicContact CE2-CG2 4.39Å; F623-T659 WeakPolarHBondContact CE2-OG1 3.41Å; F623-Q661 HydrophobicContact CE1-CB 4.4Å; F623-Q661 HydrophobicContact CZ-CB 3.89Å; F623-L663 WeakPolarHBondContact CA-O 3.47Å; F623-L664 HydrophobicContact CB-CD1 4.2Å; F623-L664 HydrophobicContact CD2-CB 3.96Å; F623-L664 HydrophobicContact CD2-CD1 4.23Å
624	L	93.6	Very high	89.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	106.4	177.5	-45.9	-174.9	0	0	0	108.1	Q614 W637 G662 L663 L665 Y676 V692 L694	Q614-L624 VanDerWaalsContact OE1-CD2 3.23Å; L624-W637 HydrophobicContact CB-CH2 3.69Å; L624-W637 HydrophobicContact CB-CZ2 4.22Å; L624-W637 HydrophobicContact CB-CZ3 4.21Å; L624-W637 HydrophobicContact CD1-CZ3 4.36Å; L624-W637 WeakPolarHBondContact O-CZ2 3.34Å; L624-G662 CarbonylContact O-C 3.53Å; L624-G662 WeakPolarHBondContact O-CA 3.34Å; L624-L663 HydrophobicContact CB-CB 4.36Å; L624-L663 HydrophobicContact CD1-CD2 4.32Å; L624-L663 PolarHBondContact N-O 3.2Å; L624-L663 PolarHBondContact O-N 3.46Å; L624-L665 HydrophobicContact CD1-CD1 3.95Å; L624-L665 HydrophobicContact CD2-CD1 4.5Å; L624-L665 HydrophobicContact CG-CD1 3.82Å; L624-Y676 HydrophobicContact CD1-CD1 3.47Å; L624-Y676 VanDerWaalsContact CD1-CD1 3.47Å; L624-Y676 HydrophobicContact CD1-CD2 3.87Å; L624-Y676 HydrophobicContact CD1-CE1 4.04Å; L624-Y676 HydrophobicContact CD1-CE2 4.41Å; L624-Y676 HydrophobicContact CD1-CG 3.39Å; L624-V692 HydrophobicContact CD2-CG1 4.07Å; L624-L694 HydrophobicContact CD2-CD1 4.46Å
625	E	91.5	Very high	89.1	Confident	123 Å²	123	56.1 Å²	56.1	58%	0.575	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	134.4	-178.8	-168.3	175.4	177.5	0	0	111.1	F623	F623-E625 HydrophobicContact CE1-CB 4.21Å; F623-E625 HydrophobicContact CE1-CG 4.48Å
626	C	89.8	Confident	89.1	Confident	6 Å²	6	56.3 Å²	56.3	4%	0.041	32%	0.318	C	S	.	.			trans	-155.8	107	167.4	-179.9	0	0	0	0	109.9	W637 Q661 C678 T690	C626-W637 HydrophobicContact CB-CH2 3.77Å; C626-W637 HydrophobicContact CB-CZ2 3.27Å; C626-Q661 CarbonylContact C-O 3.58Å; C626-Q661 PolarHBondContact N-O 3.12Å; C626-Q661 CarbonylContact O-C 3.55Å; C626-C678 HydrophobicContact CB-CB 3.61Å; C626-C678 WeakPolarHBondContact CB-SG 3.44Å; C626-C678 WeakPolarHBondContact SG-CB 3.48Å; C626-C678 CovalentContact SG-SG 2.01Å; C626-C678 PolarHBondContact SG-SG 2.8Å; C626-T690 HydrophobicContact CB-CG2 4.17Å
627	Q	85.4	Confident	89.2	Confident	127 Å²	127	56.1 Å²	56.1	59%	0.593	32%	0.315	S	S	*	.			trans	-118.7	109.5	176.5	-165.5	173.1	8.4	0	0	109.3
628	P	83.2	Confident	89.2	Confident	22 Å²	22	55.9 Å²	55.9	14%	0.143	31%	0.312	C	S	.	.			trans	-65	148.5	172.1	29.9	-34.7	0	0	0	109.6	S630 A633 V635 A680	P628-S630 VanDerWaalsContact C-N 3.28Å; P628-S630 PolarHBondContact O-N 2.87Å; P628-A633 HydrophobicContact CB-CB 4Å; P628-A633 HydrophobicContact CG-CB 4.3Å; P628-V635 HydrophobicContact CB-CG2 4.43Å; P628-V635 HydrophobicContact CG-CG2 3.68Å; P628-A680 HydrophobicContact CB-CB 4.2Å
629	R	77.9	Confident	89.2	Confident	174 Å²	174	56.6 Å²	56.6	66%	0.657	31%	0.311	S	S	*	.	S	Bend	trans	-62.6	-36.3	177.6	-71.2	-176.4	175.6	-85.2	-6.3	112.9
630	S	82.9	Confident	89.3	Confident	4 Å²	4	54.8 Å²	54.8	3%	0.028	29%	0.286	C	S	.	.			trans	-95.9	122	178.4	178.6	0	0	0	0	110	P628 Q632 A633 E682	P628-S630 VanDerWaalsContact C-N 3.28Å; P628-S630 PolarHBondContact O-N 2.87Å; S630-Q632 PolarHBondContact O-N 3.3Å; S630-Q632 WeakPolarHBondContact OG-CB 3.37Å; S630-Q632 PolarHBondContact OG-N 3.46Å; S630-A633 WeakPolarHBondContact O-CB 3.33Å; S630-A633 PolarHBondContact O-N 3.36Å; S630-A633 VanDerWaalsContact O-N 3.11Å; S630-E682 WeakPolarHBondContact CB-OE1 3.47Å; S630-E682 PolarHBondContact OG-OE1 3.15Å
631	P	85.6	Confident	89.1	Confident	77 Å²	77	58.8 Å²	58.8	50%	0.5	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.6	170.4	-21.5	33.7	0	0	0	113.3	T29 R31 A633	T29-P631 HydrophobicContact CG2-CB 3.89Å; R31-P631 WeakPolarHBondContact O-CD 3.42Å; P631-A633 PolarHBondContact O-N 3.44Å
632	Q	85.9	Confident	88.7	Confident	77 Å²	77	60.1 Å²	60.1	36%	0.36	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-10	176.6	-55.1	176.3	-4.5	0	0	112.4	T29 S630	T29-Q632 PolarHBondContact O-NE2 2.82Å; S630-Q632 PolarHBondContact O-N 3.3Å; S630-Q632 WeakPolarHBondContact OG-CB 3.37Å; S630-Q632 PolarHBondContact OG-N 3.46Å
633	A	87.3	Confident	88	Confident	13 Å²	13	65.5 Å²	65.5	11%	0.107	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-82.4	136.9	-178.5	0	0	0	0	0	112	P628 S630 P631 A680 E682	P628-A633 HydrophobicContact CB-CB 4Å; P628-A633 HydrophobicContact CG-CB 4.3Å; S630-A633 WeakPolarHBondContact O-CB 3.33Å; S630-A633 PolarHBondContact O-N 3.36Å; S630-A633 VanDerWaalsContact O-N 3.11Å; P631-A633 PolarHBondContact O-N 3.44Å; A633-A680 HydrophobicContact CB-CB 4.23Å; A633-E682 HydrophobicContact CB-CB 4.05Å
634	T	89.6	Confident	87.1	Confident	89 Å²	89	65.5 Å²	65.5	55%	0.546	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.7	174.4	56.1	0	0	0	0	110.9	A680 T681	T634-A680 CarbonylContact O-C 3.56Å; T634-A680 WeakPolarHBondContact O-CA 3.5Å; T634-T681 PolarHBondContact N-O 3.42Å; T634-T681 PolarHBondContact O-N 2.86Å; T634-T681 PolarHBondContact OG1-O 3.05Å
635	V	89.9	Confident	86.6	Confident	46 Å²	46	68.6 Å²	68.6	28%	0.279	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.3	-174.7	177.4	0	0	0	0	111.9	P628 C678 T679	P628-V635 HydrophobicContact CB-CG2 4.43Å; P628-V635 HydrophobicContact CG-CG2 3.68Å; V635-C678 WeakPolarHBondContact CG1-SG 3.44Å; V635-T679 CarbonylContact C-O 3.54Å; V635-T679 WeakPolarHBondContact CA-O 3.43Å
636	K	91.1	Very high	86.3	Confident	84 Å²	84	73.3 Å²	73.3	37%	0.365	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.7	171.7	-67.9	-170.5	169.2	-144.5	0	111.4	E649 T679	K636-E649 IonicContact NZ-OE1 3.32Å; K636-E649 PolarHBondContact NZ-OE1 3.05Å; K636-E649 IonicContact NZ-OE2 3.14Å; K636-E649 PolarHBondContact NZ-OE2 3.41Å; K636-E649 VanDerWaalsContact NZ-OE2 3.14Å; K636-T679 PolarHBondContact N-O 2.99Å; K636-T679 PolarHBondContact O-N 3.42Å; K636-T679 PolarHBondContact O-OG1 3.05Å
637	W	92.3	Very high	86.1	Confident	5 Å²	5	78.1 Å²	78.1	2%	0.019	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.7	175.4	-75.6	95.2	0	0	0	111.5	L624 C626 I650 L663 C678	L624-W637 HydrophobicContact CB-CH2 3.69Å; L624-W637 HydrophobicContact CB-CZ2 4.22Å; L624-W637 HydrophobicContact CB-CZ3 4.21Å; L624-W637 HydrophobicContact CD1-CZ3 4.36Å; L624-W637 WeakPolarHBondContact O-CZ2 3.34Å; C626-W637 HydrophobicContact CB-CH2 3.77Å; C626-W637 HydrophobicContact CB-CZ2 3.27Å; W637-I650 HydrophobicContact CB-CB 4.25Å; W637-I650 HydrophobicContact CB-CD1 4Å; W637-I650 HydrophobicContact CB-CG1 4.35Å; W637-I650 PolarHBondContact O-N 2.79Å; W637-L663 HydrophobicContact CB-CD2 4.4Å; W637-L663 HydrophobicContact CD2-CB 4.06Å; W637-L663 HydrophobicContact CD2-CD2 4.19Å; W637-L663 HydrophobicContact CG-CB 4.29Å; W637-L663 HydrophobicContact CG-CD2 4.15Å; W637-L663 HydrophobicContact CZ2-CB 3.94Å; W637-C678 HydrophobicContact CD2-CB 4.16Å; W637-C678 HydrophobicContact CE3-CB 3.99Å; W637-C678 HydrophobicContact CH2-CB 3.83Å; W637-C678 HydrophobicContact CZ2-CB 4Å; W637-C678 HydrophobicContact CZ3-CB 3.81Å
638	L	92.3	Very high	86.3	Confident	39 Å²	39	80.3 Å²	80.3	20%	0.204	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.1	176.5	-59.4	175.4	0	0	0	109.5	R647 R648 E649 Y676 S677 T679	L638-R647 HydrophobicContact CB-CB 4.35Å; L638-R648 CarbonylContact C-O 3.53Å; L638-R648 WeakPolarHBondContact CA-O 3.4Å; L638-E649 HydrophobicContact CD2-CB 4.19Å; L638-Y676 CarbonylContact O-C 3.51Å; L638-Y676 WeakPolarHBondContact O-CA 3.23Å; L638-S677 PolarHBondContact N-O 2.92Å; L638-S677 PolarHBondContact O-N 3.24Å; L638-T679 HydrophobicContact CD1-CG2 4.01Å
639	F	92.4	Very high	86.7	Confident	41 Å²	41	83.3 Å²	83.3	18%	0.18	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	139	176.7	176.6	-116.7	0	0	0	111.2	R641 R647 R648 I650 Y676	F639-R641 HydrophobicContact CE1-CB 4.13Å; F639-R641 HydrophobicContact CZ-CB 4.04Å; F639-R647 WeakPolarHBondContact O-CA 3.45Å; F639-R648 PolarHBondContact N-O 3.5Å; F639-R648 PolarHBondContact O-N 3.28Å; F639-I650 HydrophobicContact CB-CD1 3.86Å; F639-I650 HydrophobicContact CB-CG1 3.74Å; F639-Y676 HydrophobicContact CD2-CD1 4.14Å; F639-Y676 HydrophobicContact CD2-CD2 4.05Å; F639-Y676 AromaticContact CD2-CE1 3.72Å; F639-Y676 HydrophobicContact CD2-CE1 3.72Å; F639-Y676 AromaticContact CD2-CE2 3.59Å; F639-Y676 HydrophobicContact CD2-CE2 3.59Å; F639-Y676 HydrophobicContact CD2-CG 4.29Å; F639-Y676 AromaticContact CD2-CZ 3.4Å; F639-Y676 HydrophobicContact CE2-CD2 4.36Å; F639-Y676 HydrophobicContact CE2-CE1 4.35Å; F639-Y676 AromaticContact CE2-CE2 3.59Å; F639-Y676 HydrophobicContact CE2-CE2 3.59Å; F639-Y676 AromaticContact CE2-CZ 3.58Å; F639-Y676 HydrophobicContact CG-CE1 4.41Å
640	Q	91.6	Very high	87.2	Confident	22 Å²	22	75.7 Å²	75.7	10%	0.103	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	115.1	174.7	-179.5	171.6	3.4	0	0	109.1	D642 P643 D645 R647 G674 L675	Q640-D642 WeakPolarHBondContact CG-O 3.05Å; Q640-D642 PolarHBondContact NE2-O 3.16Å; Q640-P643 VanDerWaalsContact NE2-C 3.26Å; Q640-P643 PolarHBondContact NE2-O 3.02Å; Q640-D645 HydrophobicContact CG-CB 4.36Å; Q640-D645 PolarHBondContact NE2-O 2.97Å; Q640-D645 VanDerWaalsContact NE2-O 3.15Å; Q640-R647 HydrophobicContact CB-CG 4.13Å; Q640-R647 VanDerWaalsContact OE1-NE 3.1Å; Q640-G674 CarbonylContact O-C 3.56Å; Q640-G674 WeakPolarHBondContact O-CA 3.4Å; Q640-L675 HydrophobicContact CB-CB 4.41Å; Q640-L675 PolarHBondContact N-O 2.85Å; Q640-L675 PolarHBondContact O-N 3.25Å
641	R	87.9	Confident	87.2	Confident	131 Å²	131	84.4 Å²	84.4	49%	0.494	41%	0.414	S	S	.	.	S	Bend	trans	-71.6	-54.1	-178.4	-173.6	176.2	-174.1	165.2	0.9	111.3	F639	F639-R641 HydrophobicContact CE1-CB 4.13Å; F639-R641 HydrophobicContact CZ-CB 4.04Å
642	D	84.6	Confident	86.8	Confident	89 Å²	89	84.2 Å²	84.2	48%	0.476	42%	0.419	S	S	.	.	S	Bend	trans	-120	154.3	-179.4	-65.1	-56.2	0	0	0	111.7	Q640 G644 D645	Q640-D642 WeakPolarHBondContact CG-O 3.05Å; Q640-D642 PolarHBondContact NE2-O 3.16Å; D642-G644 PolarHBondContact O-N 2.86Å; D642-D645 WeakPolarHBondContact O-CB 3.3Å; D642-D645 PolarHBondContact O-N 3.19Å
643	P	78.3	Confident	86.5	Confident	128 Å²	128	86.5 Å²	86.5	83%	0.831	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.1	-178.2	-25.8	34.5	0	0	0	114.8	Q640	Q640-P643 VanDerWaalsContact NE2-C 3.26Å; Q640-P643 PolarHBondContact NE2-O 3.02Å
644	G	76.1	Confident	85.8	Confident	78 Å²	78	93 Å²	93	80%	0.804	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-11.8	176.5	0	0	0	0	0	115.1	D642	D642-G644 PolarHBondContact O-N 2.86Å
645	D	82.5	Confident	85.7	Confident	66 Å²	66	91.4 Å²	91.4	35%	0.353	45%	0.446	S	S	.	.	S	Bend	trans	-76.4	148	-177.9	-92.3	-12.1	0	0	0	112.8	Q640 D642 R647	Q640-D645 HydrophobicContact CG-CB 4.36Å; Q640-D645 PolarHBondContact NE2-O 2.97Å; Q640-D645 VanDerWaalsContact NE2-O 3.15Å; D642-D645 WeakPolarHBondContact O-CB 3.3Å; D642-D645 PolarHBondContact O-N 3.19Å; D645-R647 PolarHBondContact O-N 3.21Å
646	R	84.7	Confident	85.7	Confident	222 Å²	222	90.3 Å²	90.3	84%	0.838	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-66.5	132.7	167.9	-73.3	-174.1	178.1	179.1	0.5	109.8	R648	R646-R648 PolarHBondContact O-N 3.33Å
647	R	87.2	Confident	85.6	Confident	106 Å²	106	89.5 Å²	89.5	40%	0.4	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-61.3	127.5	170.9	-65.3	-175.5	-179.8	166.7	5.6	110.3	L638 F639 Q640 D645	L638-R647 HydrophobicContact CB-CB 4.35Å; F639-R647 WeakPolarHBondContact O-CA 3.45Å; Q640-R647 HydrophobicContact CB-CG 4.13Å; Q640-R647 VanDerWaalsContact OE1-NE 3.1Å; D645-R647 PolarHBondContact O-N 3.21Å
648	R	89.6	Confident	85.4	Confident	173 Å²	173	93.6 Å²	93.6	65%	0.653	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.1	179.4	-58.3	-178.1	-171.6	-172.9	2	110.1	L638 F639 R646 I650	L638-R648 CarbonylContact C-O 3.53Å; L638-R648 WeakPolarHBondContact CA-O 3.4Å; F639-R648 PolarHBondContact N-O 3.5Å; F639-R648 PolarHBondContact O-N 3.28Å; R646-R648 PolarHBondContact O-N 3.33Å; R648-I650 PolarHBondContact O-N 3.44Å
649	E	90.2	Very high	85.1	Confident	86 Å²	86	94.1 Å²	94.1	40%	0.402	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.1	174.2	-174.5	172.5	171.9	0	0	109.9	K636 L638 R651 R658	K636-E649 IonicContact NZ-OE1 3.32Å; K636-E649 PolarHBondContact NZ-OE1 3.05Å; K636-E649 IonicContact NZ-OE2 3.14Å; K636-E649 PolarHBondContact NZ-OE2 3.41Å; K636-E649 VanDerWaalsContact NZ-OE2 3.14Å; L638-E649 HydrophobicContact CD2-CB 4.19Å; E649-R651 PolarHBondContact O-N 2.85Å; E649-R658 IonicContact OE1-NH2 3.05Å; E649-R658 PolarHBondContact OE1-NH2 3.35Å
650	I	88.2	Confident	84.6	Confident	14 Å²	14	100.7 Å²	100.7	7%	0.072	49%	0.489	C	S	.	.			trans	-78.4	113.9	177.7	-56.7	178.8	0	0	0	108.2	W637 F639 R648 F656 R658 L663 Y676	W637-I650 HydrophobicContact CB-CB 4.25Å; W637-I650 HydrophobicContact CB-CD1 4Å; W637-I650 HydrophobicContact CB-CG1 4.35Å; W637-I650 PolarHBondContact O-N 2.79Å; F639-I650 HydrophobicContact CB-CD1 3.86Å; F639-I650 HydrophobicContact CB-CG1 3.74Å; R648-I650 PolarHBondContact O-N 3.44Å; I650-F656 HydrophobicContact CG2-CB 4.18Å; I650-F656 HydrophobicContact CG2-CD1 4.01Å; I650-F656 HydrophobicContact CG2-CD2 4.27Å; I650-F656 HydrophobicContact CG2-CE1 4.44Å; I650-F656 HydrophobicContact CG2-CG 3.92Å; I650-R658 PolarHBondContact O-NE 2.83Å; I650-R658 PolarHBondContact O-NH2 2.9Å; I650-L663 HydrophobicContact CD1-CD2 3.64Å; I650-L663 HydrophobicContact CG2-CD2 4.47Å; I650-Y676 HydrophobicContact CD1-CD1 3.48Å; I650-Y676 VanDerWaalsContact CD1-CD1 3.48Å; I650-Y676 HydrophobicContact CD1-CE1 3.49Å; I650-Y676 VanDerWaalsContact CD1-CE1 3.49Å
651	R	84.2	Confident	84.4	Confident	187 Å²	187	104.5 Å²	104.5	71%	0.706	51%	0.507	S	S	*	.			trans	-82.4	153.2	174.7	-65.9	-178.8	177.9	160.2	-1.7	110.4	E649 E653	E649-R651 PolarHBondContact O-N 2.85Å; R651-E653 PolarHBondContact O-N 3Å
652	A	76.6	Confident	84.5	Confident	73 Å²	73	98.3 Å²	98.3	60%	0.603	48%	0.484	S	S	*	.			trans	-68.8	120.4	171.7	0	0	0	0	0	108.3
653	E	80	Confident	84.9	Confident	124 Å²	124	94.1 Å²	94.1	58%	0.579	46%	0.461	S	S	*	.	B	Isolated β-bridge	trans	-137.8	167.3	-179.4	-69	179.3	-174.3	0	0	107.7	R651 R655 F656	R651-E653 PolarHBondContact O-N 3Å; E653-R655 PolarHBondContact O-N 3.34Å; E653-F656 PolarHBondContact N-O 2.78Å; E653-F656 CarbonylContact O-C 3.51Å; E653-F656 PolarHBondContact O-N 3.42Å
654	D	73.1	Confident	85.6	Confident	150 Å²	150	90.3 Å²	90.3	80%	0.802	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-26.1	-176.6	-89.2	-17.2	0	0	0	114.5	R666	D654-R666 WeakPolarHBondContact O-CD 3.46Å; D654-R666 PolarHBondContact O-NH1 3.44Å
655	R	87.3	Confident	86.5	Confident	56 Å²	56	86.6 Å²	86.6	21%	0.211	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-24.4	-179.3	-153.8	173.4	61.6	88.2	-4.5	114.2	E653 R666 A667 D672	E653-R655 PolarHBondContact O-N 3.34Å; R655-R666 PolarHBondContact O-N 2.98Å; R655-A667 PolarHBondContact NH1-O 2.86Å; R655-A667 VanDerWaalsContact NH1-O 3.11Å; R655-D672 IonicContact CZ-OD1 2.94Å; R655-D672 IonicContact CZ-OD2 2.79Å; R655-D672 VanDerWaalsContact NH1-CG 3.26Å; R655-D672 IonicContact NH1-OD1 3.71Å; R655-D672 PolarHBondContact NH1-OD1 3.19Å; R655-D672 VanDerWaalsContact NH1-OD1 3.09Å; R655-D672 IonicContact NH1-OD2 3.21Å; R655-D672 PolarHBondContact NH1-OD2 2.94Å; R655-D672 IonicContact NH2-OD1 2.83Å; R655-D672 PolarHBondContact NH2-OD1 3.13Å; R655-D672 IonicContact NH2-OD2 3.41Å
656	F	90	Very high	86.9	Confident	22 Å²	22	89.6 Å²	89.6	10%	0.096	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	106.8	-178.5	-66.3	-76.2	0	0	0	110.4	I650 E653 L663 L665	I650-F656 HydrophobicContact CG2-CB 4.18Å; I650-F656 HydrophobicContact CG2-CD1 4.01Å; I650-F656 HydrophobicContact CG2-CD2 4.27Å; I650-F656 HydrophobicContact CG2-CE1 4.44Å; I650-F656 HydrophobicContact CG2-CG 3.92Å; E653-F656 PolarHBondContact N-O 2.78Å; E653-F656 CarbonylContact O-C 3.51Å; E653-F656 PolarHBondContact O-N 3.42Å; F656-L663 HydrophobicContact CB-CD1 4.43Å; F656-L663 HydrophobicContact CD1-CD2 4.5Å; F656-L665 HydrophobicContact CD1-CD2 4.3Å; F656-L665 HydrophobicContact CD1-CG 3.88Å; F656-L665 HydrophobicContact CE1-CD2 3.68Å; F656-L665 HydrophobicContact CE1-CG 3.78Å
657	L	88.8	Confident	87.3	Confident	68 Å²	68	81 Å²	81	36%	0.356	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118	177.8	-175.2	72.3	0	0	0	109.9	T659 L664	L657-T659 HydrophobicContact CD2-CG2 4.36Å; L657-T659 HydrophobicContact CG-CG2 4.39Å; L657-L664 HydrophobicContact CB-CB 4.21Å; L657-L664 HydrophobicContact CD2-CD2 4.11Å; L657-L664 PolarHBondContact N-O 2.97Å; L657-L664 PolarHBondContact O-N 2.91Å
658	R	87.9	Confident	87.6	Confident	90 Å²	90	76.1 Å²	76.1	34%	0.34	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128.8	170.5	-66.4	179.5	176.3	-169.4	-2.4	108.8	E649 I650 L663	E649-R658 IonicContact OE1-NH2 3.05Å; E649-R658 PolarHBondContact OE1-NH2 3.35Å; I650-R658 PolarHBondContact O-NE 2.83Å; I650-R658 PolarHBondContact O-NH2 2.9Å; R658-L663 HydrophobicContact CG-CD1 4.05Å
659	T	86.2	Confident	87.8	Confident	51 Å²	51	72.3 Å²	72.3	31%	0.313	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	169.4	174.7	76.1	0	0	0	0	109.9	F623 L657 Q661 G662	F623-T659 HydrophobicContact CE2-CG2 4.39Å; F623-T659 WeakPolarHBondContact CE2-OG1 3.41Å; L657-T659 HydrophobicContact CD2-CG2 4.36Å; L657-T659 HydrophobicContact CG-CG2 4.39Å; T659-Q661 PolarHBondContact O-N 2.03Å; T659-Q661 PolarHBondContact OG1-N 2.92Å; T659-G662 PolarHBondContact N-O 2.96Å; T659-G662 PolarHBondContact O-N 2.97Å; T659-G662 PolarHBondContact OG1-N 2.87Å; T659-G662 VanDerWaalsContact OG1-N 3.14Å; T659-G662 PolarHBondContact OG1-O 3.2Å
660	E	81.3	Confident	87.7	Confident	178 Å²	178	73.1 Å²	73.1	83%	0.832	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-27	175.2	-64.9	-171.6	167.4	0	0	112.9
661	Q	86.7	Confident	87.8	Confident	103 Å²	103	74.7 Å²	74.7	48%	0.481	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-7.9	179.4	-52.9	102.7	-4	0	0	113.7	F623 C626 T659	F623-Q661 HydrophobicContact CE1-CB 4.4Å; F623-Q661 HydrophobicContact CZ-CB 3.89Å; C626-Q661 CarbonylContact C-O 3.58Å; C626-Q661 PolarHBondContact N-O 3.12Å; C626-Q661 CarbonylContact O-C 3.55Å; T659-Q661 PolarHBondContact O-N 2.03Å; T659-Q661 PolarHBondContact OG1-N 2.92Å
662	G	90.7	Very high	88.2	Confident	1 Å²	1	66 Å²	66	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-154.7	-175.8	0	0	0	0	0	116.7	L624 T659	L624-G662 CarbonylContact O-C 3.53Å; L624-G662 WeakPolarHBondContact O-CA 3.34Å; T659-G662 PolarHBondContact N-O 2.96Å; T659-G662 PolarHBondContact O-N 2.97Å; T659-G662 PolarHBondContact OG1-N 2.87Å; T659-G662 VanDerWaalsContact OG1-N 3.14Å; T659-G662 PolarHBondContact OG1-O 3.2Å
663	L	93.3	Very high	88.9	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.2	-179.9	-177.8	70.2	0	0	0	110.7	F623 L624 W637 I650 F656 R658 L665 Y676	F623-L663 WeakPolarHBondContact CA-O 3.47Å; L624-L663 HydrophobicContact CB-CB 4.36Å; L624-L663 HydrophobicContact CD1-CD2 4.32Å; L624-L663 PolarHBondContact N-O 3.2Å; L624-L663 PolarHBondContact O-N 3.46Å; W637-L663 HydrophobicContact CB-CD2 4.4Å; W637-L663 HydrophobicContact CD2-CB 4.06Å; W637-L663 HydrophobicContact CD2-CD2 4.19Å; W637-L663 HydrophobicContact CG-CB 4.29Å; W637-L663 HydrophobicContact CG-CD2 4.15Å; W637-L663 HydrophobicContact CZ2-CB 3.94Å; I650-L663 HydrophobicContact CD1-CD2 3.64Å; I650-L663 HydrophobicContact CG2-CD2 4.47Å; F656-L663 HydrophobicContact CB-CD1 4.43Å; F656-L663 HydrophobicContact CD1-CD2 4.5Å; R658-L663 HydrophobicContact CG-CD1 4.05Å; L663-L665 HydrophobicContact CD2-CD1 4.21Å; L663-L665 HydrophobicContact CG-CD1 4.2Å; L663-Y676 HydrophobicContact CD2-CD1 4.1Å; L663-Y676 HydrophobicContact CD2-CE1 4.27Å
664	L	93.4	Very high	89.5	Confident	48 Å²	48	62.9 Å²	62.9	25%	0.251	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119	174.4	179.9	68.4	0	0	0	110.8	F623 L657 R666	F623-L664 HydrophobicContact CB-CD1 4.2Å; F623-L664 HydrophobicContact CD2-CB 3.96Å; F623-L664 HydrophobicContact CD2-CD1 4.23Å; L657-L664 HydrophobicContact CB-CB 4.21Å; L657-L664 HydrophobicContact CD2-CD2 4.11Å; L657-L664 PolarHBondContact N-O 2.97Å; L657-L664 PolarHBondContact O-N 2.91Å; L664-R666 HydrophobicContact CD2-CG 4.44Å
665	L	94.2	Very high	90.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	108.9	168	-64.2	83.4	0	0	0	107.4	A621 A622 L624 F656 L663 A667 L668 D672 Y676 L694	A621-L665 CarbonylContact C-O 3.58Å; A621-L665 WeakPolarHBondContact CA-O 3.19Å; A621-L665 WeakPolarHBondContact CB-O 3.1Å; A622-L665 PolarHBondContact N-O 3.43Å; A622-L665 PolarHBondContact O-N 3.29Å; L624-L665 HydrophobicContact CD1-CD1 3.95Å; L624-L665 HydrophobicContact CD2-CD1 4.5Å; L624-L665 HydrophobicContact CG-CD1 3.82Å; F656-L665 HydrophobicContact CD1-CD2 4.3Å; F656-L665 HydrophobicContact CD1-CG 3.88Å; F656-L665 HydrophobicContact CE1-CD2 3.68Å; F656-L665 HydrophobicContact CE1-CG 3.78Å; L663-L665 HydrophobicContact CD2-CD1 4.21Å; L663-L665 HydrophobicContact CG-CD1 4.2Å; L665-A667 PolarHBondContact O-N 2.96Å; L665-L668 HydrophobicContact CB-CD2 4.03Å; L665-L668 HydrophobicContact CD2-CD2 3.68Å; L665-L668 HydrophobicContact CG-CD2 4.45Å; L665-D672 HydrophobicContact CD2-CB 4.2Å; L665-Y676 HydrophobicContact CD2-CE1 4.5Å; L665-L694 HydrophobicContact CD2-CD2 4.06Å
666	R	92.4	Very high	90.7	Very high	129 Å²	129	54.5 Å²	54.5	49%	0.487	26%	0.262	S	S	.	.	S	Bend	trans	-69.7	-33.3	-173.8	-66.8	-174.9	177.8	166.2	-9.1	113.3	D654 R655 L664	D654-R666 WeakPolarHBondContact O-CD 3.46Å; D654-R666 PolarHBondContact O-NH1 3.44Å; R655-R666 PolarHBondContact O-N 2.98Å; L664-R666 HydrophobicContact CD2-CG 4.44Å
667	A	92.3	Very high	90.8	Very high	41 Å²	41	53.5 Å²	53.5	34%	0.339	26%	0.258	S	S	.	.	S	Bend	trans	-145.9	112.7	177.9	0	0	0	0	0	110	R655 L665	R655-A667 PolarHBondContact NH1-O 2.86Å; R655-A667 VanDerWaalsContact NH1-O 3.11Å; L665-A667 PolarHBondContact O-N 2.96Å
668	L	93.3	Very high	90.9	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	24%	0.241	C	C	.	.			trans	-72.5	136.1	-179.9	-74	178.7	0	0	0	112.3	G616 A618 G619 S620 A622 L665 D672 L694 V696	G616-L668 VanDerWaalsContact CA-CD1 3.5Å; A618-L668 WeakPolarHBondContact CA-O 3.27Å; G619-L668 PolarHBondContact N-O 3.34Å; S620-L668 WeakPolarHBondContact O-CB 3.03Å; S620-L668 WeakPolarHBondContact O-CG 3.42Å; S620-L668 PolarHBondContact O-N 2.98Å; A622-L668 HydrophobicContact CB-CD1 3.89Å; A622-L668 HydrophobicContact CB-CD2 3.97Å; A622-L668 HydrophobicContact CB-CG 4.1Å; L665-L668 HydrophobicContact CB-CD2 4.03Å; L665-L668 HydrophobicContact CD2-CD2 3.68Å; L665-L668 HydrophobicContact CG-CD2 4.45Å; L668-D672 HydrophobicContact CD2-CB 4.4Å; L668-L694 HydrophobicContact CD2-CD2 3.86Å; L668-V696 HydrophobicContact CB-CG1 4.1Å; L668-V696 HydrophobicContact CD1-CG2 4.48Å; L668-V696 HydrophobicContact CD2-CG2 4.23Å
669	Q	92.8	Very high	91.1	Very high	93 Å²	93	47.1 Å²	47.1	44%	0.435	23%	0.232	S	C	.	.			trans	-116.5	154.1	171.3	-61.1	-178.9	-3.2	0	0	109.6	S671 D672	Q669-S671 WeakPolarHBondContact CB-OG 3.29Å; Q669-S671 PolarHBondContact O-N 3.42Å; Q669-S671 VanDerWaalsContact O-N 3.1Å; Q669-S671 PolarHBondContact OE1-OG 3.12Å; Q669-D672 PolarHBondContact N-OD2 3.16Å; Q669-D672 WeakPolarHBondContact O-CB 3.18Å; Q669-D672 PolarHBondContact O-N 3.32Å
670	L	89.8	Confident	91.2	Very high	103 Å²	103	44.7 Å²	44.7	54%	0.539	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-58.5	-25.8	176.6	-69.2	169.7	0	0	0	112.7	D672 R673 V696	L670-D672 VanDerWaalsContact C-N 3.29Å; L670-D672 PolarHBondContact O-N 3.21Å; L670-R673 WeakPolarHBondContact O-CB 3.43Å; L670-V696 HydrophobicContact CD2-CG1 4.35Å
671	S	90	Very high	91.6	Very high	46 Å²	46	37.3 Å²	37.3	32%	0.322	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-69.8	-19.5	174.1	47.4	0	0	0	0	114.2	Q669 R673	Q669-S671 WeakPolarHBondContact CB-OG 3.29Å; Q669-S671 PolarHBondContact O-N 3.42Å; Q669-S671 VanDerWaalsContact O-N 3.1Å; Q669-S671 PolarHBondContact OE1-OG 3.12Å; S671-R673 PolarHBondContact O-N 2.98Å
672	D	91.7	Very high	91.7	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.032	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-78.7	-5	179.3	-60	-40.1	0	0	0	112.5	R655 L665 L668 Q669 L670 G674 Y676 V696	R655-D672 IonicContact CZ-OD1 2.94Å; R655-D672 IonicContact CZ-OD2 2.79Å; R655-D672 VanDerWaalsContact NH1-CG 3.26Å; R655-D672 IonicContact NH1-OD1 3.71Å; R655-D672 PolarHBondContact NH1-OD1 3.19Å; R655-D672 VanDerWaalsContact NH1-OD1 3.09Å; R655-D672 IonicContact NH1-OD2 3.21Å; R655-D672 PolarHBondContact NH1-OD2 2.94Å; R655-D672 IonicContact NH2-OD1 2.83Å; R655-D672 PolarHBondContact NH2-OD1 3.13Å; R655-D672 IonicContact NH2-OD2 3.41Å; L665-D672 HydrophobicContact CD2-CB 4.2Å; L668-D672 HydrophobicContact CD2-CB 4.4Å; Q669-D672 PolarHBondContact N-OD2 3.16Å; Q669-D672 WeakPolarHBondContact O-CB 3.18Å; Q669-D672 PolarHBondContact O-N 3.32Å; L670-D672 VanDerWaalsContact C-N 3.29Å; L670-D672 PolarHBondContact O-N 3.21Å; D672-G674 PolarHBondContact O-N 2.73Å; D672-Y676 VanDerWaalsContact O-CE2 3.27Å; D672-Y676 WeakPolarHBondContact O-CE2 3.4Å; D672-Y676 PolarHBondContact O-OH 3.27Å; D672-V696 HydrophobicContact CB-CG2 4.27Å
673	R	92.4	Very high	91.5	Very high	129 Å²	129	36.8 Å²	36.8	49%	0.487	18%	0.184	S	C	.	.			trans	-59.2	127.3	171.8	176	-177.3	173.7	179.4	-1.4	109.6	L670 S671 L694	L670-R673 WeakPolarHBondContact O-CB 3.43Å; S671-R673 PolarHBondContact O-N 2.98Å; R673-L694 WeakPolarHBondContact CA-O 3.33Å
674	G	92.7	Very high	91.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.2	-173.6	178.2	0	0	0	0	0	113.2	Q640 D672 Q693 L694	Q640-G674 CarbonylContact O-C 3.56Å; Q640-G674 WeakPolarHBondContact O-CA 3.4Å; D672-G674 PolarHBondContact O-N 2.73Å; G674-Q693 VanDerWaalsContact C-NE2 3.32Å; G674-Q693 PolarHBondContact O-NE2 2.81Å; G674-L694 PolarHBondContact N-O 2.73Å; G674-L694 PolarHBondContact O-N 2.88Å
675	L	92.4	Very high	90.8	Very high	29 Å²	29	42.6 Å²	42.6	15%	0.152	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.1	177.9	-175.4	68	0	0	0	110.7	V610 Q640 R691 Q693	V610-L675 HydrophobicContact CG2-CD1 4.07Å; Q640-L675 HydrophobicContact CB-CB 4.41Å; Q640-L675 PolarHBondContact N-O 2.85Å; Q640-L675 PolarHBondContact O-N 3.25Å; L675-R691 HydrophobicContact CD1-CB 4.17Å; L675-Q693 HydrophobicContact CD1-CB 4.48Å
676	Y	93.1	Very high	90.5	Very high	1 Å²	1	50 Å²	50	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.8	173	-67.7	-104.6	0	0	0	108.6	L624 L638 F639 I650 L663 L665 D672 R691 V692 L694	L624-Y676 HydrophobicContact CD1-CD1 3.47Å; L624-Y676 VanDerWaalsContact CD1-CD1 3.47Å; L624-Y676 HydrophobicContact CD1-CD2 3.87Å; L624-Y676 HydrophobicContact CD1-CE1 4.04Å; L624-Y676 HydrophobicContact CD1-CE2 4.41Å; L624-Y676 HydrophobicContact CD1-CG 3.39Å; L638-Y676 CarbonylContact O-C 3.51Å; L638-Y676 WeakPolarHBondContact O-CA 3.23Å; F639-Y676 HydrophobicContact CD2-CD1 4.14Å; F639-Y676 HydrophobicContact CD2-CD2 4.05Å; F639-Y676 AromaticContact CD2-CE1 3.72Å; F639-Y676 HydrophobicContact CD2-CE1 3.72Å; F639-Y676 AromaticContact CD2-CE2 3.59Å; F639-Y676 HydrophobicContact CD2-CE2 3.59Å; F639-Y676 HydrophobicContact CD2-CG 4.29Å; F639-Y676 AromaticContact CD2-CZ 3.4Å; F639-Y676 HydrophobicContact CE2-CD2 4.36Å; F639-Y676 HydrophobicContact CE2-CE1 4.35Å; F639-Y676 AromaticContact CE2-CE2 3.59Å; F639-Y676 HydrophobicContact CE2-CE2 3.59Å; F639-Y676 AromaticContact CE2-CZ 3.58Å; F639-Y676 HydrophobicContact CG-CE1 4.41Å; I650-Y676 HydrophobicContact CD1-CD1 3.48Å; I650-Y676 VanDerWaalsContact CD1-CD1 3.48Å; I650-Y676 HydrophobicContact CD1-CE1 3.49Å; I650-Y676 VanDerWaalsContact CD1-CE1 3.49Å; L663-Y676 HydrophobicContact CD2-CD1 4.1Å; L663-Y676 HydrophobicContact CD2-CE1 4.27Å; L665-Y676 HydrophobicContact CD2-CE1 4.5Å; D672-Y676 VanDerWaalsContact O-CE2 3.27Å; D672-Y676 WeakPolarHBondContact O-CE2 3.4Å; D672-Y676 PolarHBondContact O-OH 3.27Å; Y676-R691 CarbonylContact O-C 3.45Å; Y676-R691 WeakPolarHBondContact O-CA 3.43Å; Y676-V692 PolarHBondContact N-O 2.85Å; Y676-V692 PolarHBondContact O-N 3.27Å; Y676-L694 HydrophobicContact CD2-CB 3.94Å; Y676-L694 HydrophobicContact CE2-CB 3.74Å; Y676-L694 HydrophobicContact CE2-CD2 3.8Å; Y676-L694 HydrophobicContact CE2-CG 4.42Å
677	S	91.9	Very high	90.1	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.8	176.5	-61.2	0	0	0	0	109.9	L638	L638-S677 PolarHBondContact N-O 2.92Å; L638-S677 PolarHBondContact O-N 3.24Å
678	C	91.5	Very high	89.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	125	171.6	-172.5	0	0	0	0	109.9	C626 V635 W637 V688 V689 T690	C626-C678 HydrophobicContact CB-CB 3.61Å; C626-C678 WeakPolarHBondContact CB-SG 3.44Å; C626-C678 WeakPolarHBondContact SG-CB 3.48Å; C626-C678 CovalentContact SG-SG 2.01Å; C626-C678 PolarHBondContact SG-SG 2.8Å; V635-C678 WeakPolarHBondContact CG1-SG 3.44Å; W637-C678 HydrophobicContact CD2-CB 4.16Å; W637-C678 HydrophobicContact CE3-CB 3.99Å; W637-C678 HydrophobicContact CH2-CB 3.83Å; W637-C678 HydrophobicContact CZ2-CB 4Å; W637-C678 HydrophobicContact CZ3-CB 3.81Å; C678-V688 CarbonylContact O-C 3.56Å; C678-V688 WeakPolarHBondContact O-CA 3Å; C678-V688 WeakPolarHBondContact O-CG1 3.47Å; C678-V689 HydrophobicContact CB-CB 4.5Å; C678-V689 PolarHBondContact O-N 2.89Å; C678-T690 HydrophobicContact CB-CG2 3.89Å; C678-T690 PolarHBondContact N-O 2.87Å
679	T	90.3	Very high	89.5	Confident	24 Å²	24	48.2 Å²	48.2	15%	0.147	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.1	179.9	51.9	0	0	0	0	110.6	V635 K636 L638 H687 V688	V635-T679 CarbonylContact C-O 3.54Å; V635-T679 WeakPolarHBondContact CA-O 3.43Å; K636-T679 PolarHBondContact N-O 2.99Å; K636-T679 PolarHBondContact O-N 3.42Å; K636-T679 PolarHBondContact O-OG1 3.05Å; L638-T679 HydrophobicContact CD1-CG2 4.01Å; T679-H687 CarbonylContact C-O 3.59Å; T679-H687 VanDerWaalsContact CA-O 3.28Å; T679-H687 WeakPolarHBondContact CA-O 3.12Å; T679-V688 HydrophobicContact CG2-CG2 3.91Å
680	A	89.6	Confident	89.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137.7	175.1	0	0	0	0	0	110.3	P628 A633 T634 K686 H687 V689	P628-A680 HydrophobicContact CB-CB 4.2Å; A633-A680 HydrophobicContact CB-CB 4.23Å; T634-A680 CarbonylContact O-C 3.56Å; T634-A680 WeakPolarHBondContact O-CA 3.5Å; A680-K686 WeakPolarHBondContact O-CA 3.49Å; A680-H687 PolarHBondContact N-O 3.06Å; A680-H687 PolarHBondContact O-N 2.86Å; A680-V689 HydrophobicContact CB-CG2 3.38Å
681	T	89.6	Confident	89.3	Confident	24 Å²	24	40.8 Å²	40.8	15%	0.147	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.3	174.3	-49.5	0	0	0	0	109.8	T634 F685 K686	T634-T681 PolarHBondContact N-O 3.42Å; T634-T681 PolarHBondContact O-N 2.86Å; T634-T681 PolarHBondContact OG1-O 3.05Å; T681-F685 VanDerWaalsContact CA-O 3.29Å; T681-F685 WeakPolarHBondContact CA-O 3.47Å; T681-K686 HydrophobicContact CG2-CG 3.77Å; T681-K686 WeakPolarHBondContact OG1-CG 3.28Å
682	E	88.9	Confident	89.4	Confident	14 Å²	14	38.7 Å²	38.7	7%	0.065	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131.6	178.6	-176.7	176	-151.1	0	0	109.2	R31 L560 S630 A633 N684 F685	R31-E682 IonicContact CZ-OE1 3.8Å; R31-E682 VanDerWaalsContact CZ-OE1 3.26Å; R31-E682 IonicContact CZ-OE2 3.49Å; R31-E682 IonicContact NH1-OE1 3.52Å; R31-E682 PolarHBondContact NH1-OE1 2.88Å; R31-E682 IonicContact NH1-OE2 2.83Å; R31-E682 PolarHBondContact NH1-OE2 3.38Å; R31-E682 IonicContact NH2-OE1 3.79Å; R31-E682 PolarHBondContact NH2-OE1 3.32Å; R31-E682 IonicContact NH2-OE2 2.75Å; R31-E682 PolarHBondContact NH2-OE2 2.81Å; L560-E682 HydrophobicContact CD2-CG 4.44Å; S630-E682 WeakPolarHBondContact CB-OE1 3.47Å; S630-E682 PolarHBondContact OG-OE1 3.15Å; A633-E682 HydrophobicContact CB-CB 4.05Å; E682-N684 PolarHBondContact O-N 3.31Å; E682-N684 VanDerWaalsContact O-N 3.17Å; E682-F685 PolarHBondContact N-O 3.19Å; E682-F685 WeakPolarHBondContact O-CA 3.5Å; E682-F685 WeakPolarHBondContact O-CB 3.5Å; E682-F685 PolarHBondContact O-N 3.39Å
683	N	85.9	Confident	89.5	Confident	78 Å²	78	40.4 Å²	40.4	42%	0.417	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	47.3	-176.8	-166.3	27.1	0	0	0	113.3	L560 H591 G592 F685	L560-N683 HydrophobicContact CD2-CB 3.95Å; H591-N683 PolarHBondContact O-ND2 2.87Å; G592-N683 PolarHBondContact O-ND2 2.78Å; N683-F685 PolarHBondContact O-N 2.77Å
684	N	86.3	Confident	89.5	Confident	147 Å²	147	34.2 Å²	34.2	79%	0.786	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	5.9	-175.1	-61.2	-49.1	0	0	0	116.4	E682	E682-N684 PolarHBondContact O-N 3.31Å; E682-N684 VanDerWaalsContact O-N 3.17Å
685	F	86.8	Confident	89.6	Confident	24 Å²	24	35.8 Å²	35.8	11%	0.105	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.9	172.9	-179.8	-103.4	0	0	0	110.8	A556 L560 P594 I595 T681 E682 N683 H687	A556-F685 HydrophobicContact CB-CD1 4.46Å; A556-F685 HydrophobicContact CB-CE1 3.6Å; A556-F685 HydrophobicContact CB-CZ 3.67Å; L560-F685 HydrophobicContact CD1-CD1 3.85Å; L560-F685 HydrophobicContact CD1-CE1 4.49Å; L560-F685 HydrophobicContact CD2-CB 4.29Å; P594-F685 HydrophobicContact CB-CD2 3.77Å; P594-F685 HydrophobicContact CB-CE2 3.79Å; P594-F685 HydrophobicContact CB-CG 4.14Å; P594-F685 HydrophobicContact CB-CZ 4.18Å; P594-F685 HydrophobicContact CG-CB 4.17Å; P594-F685 HydrophobicContact CG-CD1 4.16Å; P594-F685 HydrophobicContact CG-CD2 3.95Å; P594-F685 HydrophobicContact CG-CE2 4.38Å; P594-F685 HydrophobicContact CG-CG 3.82Å; I595-F685 HydrophobicContact CG1-CD2 3.95Å; I595-F685 HydrophobicContact CG1-CE2 4.47Å; T681-F685 VanDerWaalsContact CA-O 3.29Å; T681-F685 WeakPolarHBondContact CA-O 3.47Å; E682-F685 PolarHBondContact N-O 3.19Å; E682-F685 WeakPolarHBondContact O-CA 3.5Å; E682-F685 WeakPolarHBondContact O-CB 3.5Å; E682-F685 PolarHBondContact O-N 3.39Å; N683-F685 PolarHBondContact O-N 2.77Å; F685-H687 HydrophobicContact CD1-CB 4.46Å; F685-H687 AromaticContact CD1-ND1 3.93Å; F685-H687 HydrophobicContact CE1-CB 3.73Å; F685-H687 AromaticContact CE1-ND1 3.85Å; F685-H687 HydrophobicContact CZ-CB 4.28Å
686	K	87.9	Confident	89.6	Confident	155 Å²	155	35 Å²	35	67%	0.674	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109	129.1	179.8	-60.7	-172.6	177.6	173.6	0	110.5	A680 T681	A680-K686 WeakPolarHBondContact O-CA 3.49Å; T681-K686 HydrophobicContact CG2-CG 3.77Å; T681-K686 WeakPolarHBondContact OG1-CG 3.28Å
687	H	83.9	Confident	89.5	Confident	55 Å²	55	36.8 Å²	36.8	26%	0.255	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	159.2	172.7	67.9	-76	0	0	0	111.4	T679 A680 F685	T679-H687 CarbonylContact C-O 3.59Å; T679-H687 VanDerWaalsContact CA-O 3.28Å; T679-H687 WeakPolarHBondContact CA-O 3.12Å; A680-H687 PolarHBondContact N-O 3.06Å; A680-H687 PolarHBondContact O-N 2.86Å; F685-H687 HydrophobicContact CD1-CB 4.46Å; F685-H687 AromaticContact CD1-ND1 3.93Å; F685-H687 HydrophobicContact CE1-CB 3.73Å; F685-H687 AromaticContact CE1-ND1 3.85Å; F685-H687 HydrophobicContact CZ-CB 4.28Å
688	V	86.2	Confident	89.4	Confident	47 Å²	47	37.8 Å²	37.8	29%	0.285	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.2	175	178.2	0	0	0	0	107.3	C678 T679 R691	C678-V688 CarbonylContact O-C 3.56Å; C678-V688 WeakPolarHBondContact O-CA 3Å; C678-V688 WeakPolarHBondContact O-CG1 3.47Å; T679-V688 HydrophobicContact CG2-CG2 3.91Å; V688-R691 HydrophobicContact CG1-CG 3.81Å
689	V	85.8	Confident	89	Confident	36 Å²	36	46.9 Å²	46.9	22%	0.218	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-46.3	177.2	179.6	0	0	0	0	110.1	C678 A680	C678-V689 HydrophobicContact CB-CB 4.5Å; C678-V689 PolarHBondContact O-N 2.89Å; A680-V689 HydrophobicContact CB-CG2 3.38Å
690	T	87.8	Confident	88.6	Confident	18 Å²	18	54 Å²	54	11%	0.11	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	161	176.7	-165.3	0	0	0	0	112.9	E611 C626 C678 V692	E611-T690 WeakPolarHBondContact OE2-CA 3.1Å; E611-T690 VanDerWaalsContact OE2-CB 3.22Å; E611-T690 WeakPolarHBondContact OE2-CB 3.29Å; E611-T690 PolarHBondContact OE2-OG1 2.9Å; C626-T690 HydrophobicContact CB-CG2 4.17Å; C678-T690 HydrophobicContact CB-CG2 3.89Å; C678-T690 PolarHBondContact N-O 2.87Å; T690-V692 HydrophobicContact CG2-CG2 4.29Å
691	R	90.4	Very high	88	Confident	22 Å²	22	56.2 Å²	56.2	8%	0.083	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119	173.2	-67.1	-167.5	178.6	97.6	-4.6	110.7	K607 E611 S612 L675 Y676 V688	K607-R691 PolarHBondContact O-NH1 2.93Å; K607-R691 PolarHBondContact O-NH2 2.72Å; E611-R691 PolarHBondContact N-O 3.12Å; S612-R691 PolarHBondContact N-O 2.9Å; L675-R691 HydrophobicContact CD1-CB 4.17Å; Y676-R691 CarbonylContact O-C 3.45Å; Y676-R691 WeakPolarHBondContact O-CA 3.43Å; V688-R691 HydrophobicContact CG1-CG 3.81Å
692	V	92.3	Very high	87.6	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.5	-179.2	-168.9	0	0	0	0	109.4	S612 Q614 L624 Y676 T690	S612-V692 CarbonylContact O-C 3.57Å; S612-V692 WeakPolarHBondContact O-CA 3.05Å; Q614-V692 HydrophobicContact CB-CG1 4.15Å; Q614-V692 HydrophobicContact CG-CG1 3.82Å; L624-V692 HydrophobicContact CD2-CG1 4.07Å; Y676-V692 PolarHBondContact N-O 2.85Å; Y676-V692 PolarHBondContact O-N 3.27Å; T690-V692 HydrophobicContact CG2-CG2 4.29Å
693	Q	93.4	Very high	87	Confident	42 Å²	42	61.3 Å²	61.3	20%	0.196	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	110.3	170.2	-177.4	65.9	48.8	0	0	108.7	V610 S612 V613 Q614 G674 L675 H695	V610-Q693 HydrophobicContact CG1-CB 3.6Å; V610-Q693 HydrophobicContact CG2-CB 4.36Å; S612-Q693 PolarHBondContact O-N 3.29Å; V613-Q693 WeakPolarHBondContact CA-O 3.47Å; V613-Q693 HydrophobicContact CG2-CB 4.35Å; Q614-Q693 PolarHBondContact N-O 3.44Å; G674-Q693 VanDerWaalsContact C-NE2 3.32Å; G674-Q693 PolarHBondContact O-NE2 2.81Å; L675-Q693 HydrophobicContact CD1-CB 4.48Å; Q693-H695 WeakPolarHBondContact CG-NE2 3.23Å
694	L	93.9	Very high	86.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.3	179.8	-176.9	64.3	0	0	0	110.5	Q614 L624 L665 L668 R673 G674 Y676 V696	Q614-L694 HydrophobicContact CB-CD1 4.11Å; Q614-L694 WeakPolarHBondContact O-CA 3.27Å; L624-L694 HydrophobicContact CD2-CD1 4.46Å; L665-L694 HydrophobicContact CD2-CD2 4.06Å; L668-L694 HydrophobicContact CD2-CD2 3.86Å; R673-L694 WeakPolarHBondContact CA-O 3.33Å; G674-L694 PolarHBondContact N-O 2.73Å; G674-L694 PolarHBondContact O-N 2.88Å; Y676-L694 HydrophobicContact CD2-CB 3.94Å; Y676-L694 HydrophobicContact CE2-CB 3.74Å; Y676-L694 HydrophobicContact CE2-CD2 3.8Å; Y676-L694 HydrophobicContact CE2-CG 4.42Å; L694-V696 HydrophobicContact CD2-CG2 4.29Å; L694-V696 HydrophobicContact CG-CG2 4.19Å
695	H	93.2	Very high	86	Confident	33 Å²	33	54.3 Å²	54.3	15%	0.153	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.7	170	-70	-96.1	0	0	0	109.6	Q614 Y615 G616 Q693	Q614-H695 PolarHBondContact O-N 3.32Å; Y615-H695 CarbonylContact C-O 3.57Å; Y615-H695 WeakPolarHBondContact CA-O 3.21Å; Y615-H695 HydrophobicContact CD1-CB 3.5Å; Y615-H695 VanDerWaalsContact CD1-CB 3.5Å; Y615-H695 HydrophobicContact CE1-CB 3.62Å; Y615-H695 AromaticContact CE1-CG 3.81Å; Y615-H695 HydrophobicContact CG-CB 4.41Å; G616-H695 PolarHBondContact N-O 3Å; Q693-H695 WeakPolarHBondContact CG-NE2 3.23Å
696	V	93.1	Very high	85.5	Confident	12 Å²	12	59 Å²	59	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.6	176.7	-172.7	0	0	0	0	109.3	G616 A618 L668 L670 D672 L694	G616-V696 CarbonylContact O-C 3.58Å; G616-V696 WeakPolarHBondContact O-CA 3.23Å; A618-V696 HydrophobicContact CB-CG1 4.28Å; L668-V696 HydrophobicContact CB-CG1 4.1Å; L668-V696 HydrophobicContact CD1-CG2 4.48Å; L668-V696 HydrophobicContact CD2-CG2 4.23Å; L670-V696 HydrophobicContact CD2-CG1 4.35Å; D672-V696 HydrophobicContact CB-CG2 4.27Å; L694-V696 HydrophobicContact CD2-CG2 4.29Å; L694-V696 HydrophobicContact CG-CG2 4.19Å
697	L	91.4	Very high	84.9	Confident	39 Å²	39	58.1 Å²	58.1	20%	0.204	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.4	179.6	-55.8	179.3	0	0	0	110.2	G616 V617 A618 V702 L730	G616-L697 PolarHBondContact O-N 2.76Å; V617-L697 WeakPolarHBondContact CA-O 3.37Å; A618-L697 PolarHBondContact N-O 2.76Å; L697-V702 HydrophobicContact CB-CG2 3.53Å; L697-V702 HydrophobicContact CD1-CG2 3.92Å; L697-V702 HydrophobicContact CG-CG2 4.39Å; L697-L730 HydrophobicContact CD1-CD1 4.22Å; L697-L730 HydrophobicContact CD2-CD1 3.75Å
698	G	89.4	Confident	84.1	Confident	22 Å²	22	59.2 Å²	59.2	23%	0.227	31%	0.313	C	S	.	.			trans	-66	136.5	174.2	0	0	0	0	0	111.2	E700 A701 V702	G698-E700 VanDerWaalsContact C-N 3.27Å; G698-E700 PolarHBondContact O-N 3.41Å; G698-A701 PolarHBondContact O-N 3.35Å; G698-A701 VanDerWaalsContact O-N 3.13Å; G698-V702 WeakPolarHBondContact O-CG2 3.45Å; G698-V702 PolarHBondContact O-N 3.27Å
699	R	83.4	Confident	82.9	Confident	192 Å²	192	62.4 Å²	62.4	73%	0.725	34%	0.335	S	S	*	.	H	α-helix	trans	-56.3	-41.4	-178	-170.7	176.8	-178.7	-178.4	0.6	112.6	V617 H703	V617-R699 HydrophobicContact CG1-CB 4.31Å; R699-H703 WeakPolarHBondContact O-CB 3.49Å; R699-H703 PolarHBondContact O-N 2.88Å
700	E	80.9	Confident	81.4	Confident	172 Å²	172	68.7 Å²	68.7	80%	0.804	37%	0.366	S	S	*	.	H	α-helix	trans	-68.1	-39.3	178.4	-63.1	-172.7	176.9	0	0	112.6	G698 H703 A704	G698-E700 VanDerWaalsContact C-N 3.27Å; G698-E700 PolarHBondContact O-N 3.41Å; E700-H703 PolarHBondContact O-N 2.81Å; E700-A704 WeakPolarHBondContact O-CB 3.43Å; E700-A704 PolarHBondContact O-N 3.12Å
701	A	78.2	Confident	79.7	Confident	47 Å²	47	72.7 Å²	72.7	39%	0.388	40%	0.401	S	S	.	.	H	α-helix	trans	-65.7	-40	178.5	0	0	0	0	0	111.7	G698 A705 L730	G698-A701 PolarHBondContact O-N 3.35Å; G698-A701 VanDerWaalsContact O-N 3.13Å; A701-A705 WeakPolarHBondContact O-CB 3.49Å; A701-A705 PolarHBondContact O-N 3.22Å; A701-L730 HydrophobicContact CB-CD2 4.17Å
702	V	80.3	Confident	77.7	Confident	29 Å²	29	78 Å²	78	18%	0.176	44%	0.435	C	S	.	.	H	α-helix	trans	-67.9	-42	174.5	178.4	0	0	0	0	110.9	V617 L697 G698 A705 L706	V617-V702 HydrophobicContact CG1-CG2 4.3Å; V617-V702 HydrophobicContact CG2-CG2 4.15Å; L697-V702 HydrophobicContact CB-CG2 3.53Å; L697-V702 HydrophobicContact CD1-CG2 3.92Å; L697-V702 HydrophobicContact CG-CG2 4.39Å; G698-V702 WeakPolarHBondContact O-CG2 3.45Å; G698-V702 PolarHBondContact O-N 3.27Å; V702-A705 PolarHBondContact O-N 2.8Å; V702-L706 HydrophobicContact CG1-CD1 3.79Å; V702-L706 HydrophobicContact CG1-CG 4.36Å; V702-L706 WeakPolarHBondContact O-CB 3.34Å; V702-L706 WeakPolarHBondContact O-CG 3.31Å; V702-L706 PolarHBondContact O-N 2.91Å
703	H	77.1	Confident	75.6	Confident	117 Å²	117	83.5 Å²	83.5	54%	0.542	47%	0.474	S	S	.	.	H	α-helix	trans	-63.1	-43	176.9	-169.8	-78.9	0	0	0	112	R699 E700 A705 L706 F707	R699-H703 WeakPolarHBondContact O-CB 3.49Å; R699-H703 PolarHBondContact O-N 2.88Å; E700-H703 PolarHBondContact O-N 2.81Å; H703-A705 VanDerWaalsContact C-N 3.31Å; H703-A705 PolarHBondContact O-N 3.29Å; H703-L706 PolarHBondContact O-N 3.37Å; H703-F707 AromaticContact CD2-CD2 3.94Å; H703-F707 AromaticContact CE1-CD2 3.79Å; H703-F707 AromaticContact NE2-CD2 3.73Å; H703-F707 WeakPolarHBondContact O-CB 3.35Å; H703-F707 PolarHBondContact O-N 3.27Å
704	A	76	Confident	73.5	Confident	45 Å²	45	85.3 Å²	85.3	37%	0.372	50%	0.496	S	S	.	.	H	α-helix	trans	-67	-30.3	176.4	0	0	0	0	0	113.1	E700 F707 P708	E700-A704 WeakPolarHBondContact O-CB 3.43Å; E700-A704 PolarHBondContact O-N 3.12Å; A704-F707 CarbonylContact O-C 3.55Å; A704-P708 WeakPolarHBondContact O-CA 3.4Å
705	A	74.3	Confident	71.4	Confident	32 Å²	32	91 Å²	91	26%	0.264	53%	0.533	S	S	.	.	H	α-helix	trans	-76.2	-36	175.5	0	0	0	0	0	113	A701 V702 H703 L730 L734	A701-A705 WeakPolarHBondContact O-CB 3.49Å; A701-A705 PolarHBondContact O-N 3.22Å; V702-A705 PolarHBondContact O-N 2.8Å; H703-A705 VanDerWaalsContact C-N 3.31Å; H703-A705 PolarHBondContact O-N 3.29Å; A705-L730 HydrophobicContact CB-CD2 4.03Å; A705-L734 HydrophobicContact CB-CD1 4.18Å
706	L	77.6	Confident	69.3	Low	122 Å²	122	95 Å²	95	64%	0.639	56%	0.562	S	S	*	*	H	α-helix	trans	-81.3	-30.8	178.2	-68.9	172.3	0	0	0	112.9	V702 H703 P708	V702-L706 HydrophobicContact CG1-CD1 3.79Å; V702-L706 HydrophobicContact CG1-CG 4.36Å; V702-L706 WeakPolarHBondContact O-CB 3.34Å; V702-L706 WeakPolarHBondContact O-CG 3.31Å; V702-L706 PolarHBondContact O-N 2.91Å; H703-L706 PolarHBondContact O-N 3.37Å; L706-P708 WeakPolarHBondContact O-CD 3.24Å
707	F	75.4	Confident	67.5	Low	137 Å²	137	99.9 Å²	99.9	60%	0.601	59%	0.594	S	S	*	*	S	Bend	trans	-124.2	68.1	177.3	-55.1	-76.5	0	0	0	109.8	H703 A704	H703-F707 AromaticContact CD2-CD2 3.94Å; H703-F707 AromaticContact CE1-CD2 3.79Å; H703-F707 AromaticContact NE2-CD2 3.73Å; H703-F707 WeakPolarHBondContact O-CB 3.35Å; H703-F707 PolarHBondContact O-N 3.27Å; A704-F707 CarbonylContact O-C 3.55Å
708	P	65.7	Low	65.3	Low	79 Å²	79	104.6 Å²	104.6	51%	0.513	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-60.9	130.3	173.4	23.9	-29.4	0	0	0	108.2	A704 L706 L710	A704-P708 WeakPolarHBondContact O-CA 3.4Å; L706-P708 WeakPolarHBondContact O-CD 3.24Å; P708-L710 PolarHBondContact O-N 3.23Å
709	P	62.1	Low	63.6	Low	113 Å²	113	107.4 Å²	107.4	73%	0.734	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-57.8	136.7	176.1	21.9	-29.9	0	0	0	109	A711	P709-A711 PolarHBondContact O-N 2.93Å
710	L	54.1	Low	61.7	Low	169 Å²	169	102.8 Å²	102.8	89%	0.885	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-51.5	116.2	167.8	-82.5	157.5	0	0	0	107.1	P708 V712	P708-L710 PolarHBondContact O-N 3.23Å; L710-V712 PolarHBondContact O-N 3.45Å
711	A	52.2	Low	60.2	Low	101 Å²	101	97.3 Å²	97.3	84%	0.835	65%	0.649	S	S	*	*			trans	-59.7	99.6	-177.7	0	0	0	0	0	109.3	P709 S713	P709-A711 PolarHBondContact O-N 2.93Å; A711-S713 PolarHBondContact O-N 2.05Å
712	V	48.9	Very low	58.4	Low	133 Å²	133	101.1 Å²	101.1	81%	0.806	67%	0.67	S	S	*	*			trans	-75.8	109.7	160	-178.6	0	0	0	0	104.9	L710 A714	L710-V712 PolarHBondContact O-N 3.45Å; V712-A714 VanDerWaalsContact C-N 3.28Å; V712-A714 PolarHBondContact O-N 3.2Å
713	S	47	Very low	56.8	Low	117 Å²	117	104.8 Å²	104.8	82%	0.818	69%	0.694	S	S	*	*			trans	-63.8	87	175.7	57.9	0	0	0	0	109.8	A711	A711-S713 PolarHBondContact O-N 2.05Å
714	A	50.1	Low	55.4	Low	80 Å²	80	105.7 Å²	105.7	66%	0.661	71%	0.708	S	S	*	*			trans	-108.1	119.1	162	0	0	0	0	0	107.7	V712	V712-A714 VanDerWaalsContact C-N 3.28Å; V712-A714 PolarHBondContact O-N 3.2Å
715	P	48.4	Very low	54.1	Low	120 Å²	120	107.5 Å²	107.5	78%	0.779	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-68.9	142.6	177.2	26	-29.3	0	0	0	110.4
716	P	50.6	Low	52.8	Low	116 Å²	116	111.5 Å²	111.5	75%	0.753	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-74.7	148.5	-179.1	30.1	-32.3	0	0	0	111.2
717	P	55	Low	51.3	Low	115 Å²	115	112.5 Å²	112.5	75%	0.747	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-69.1	141.5	171.1	27.7	-31.1	0	0	0	110.5	G719	P717-G719 PolarHBondContact O-N 3Å
718	P	44.7	Very low	50	Low	138 Å²	138	112.8 Å²	112.8	90%	0.896	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	119.8	-176.9	28	-31.4	0	0	0	110.7
719	G	53.3	Low	49.2	Very low	82 Å²	82	115.1 Å²	115.1	85%	0.845	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	152.3	-6.2	167	0	0	0	0	0	118.9	P717	P717-G719 PolarHBondContact O-N 3Å
720	A	43.6	Very low	48.6	Very low	94 Å²	94	110.7 Å²	110.7	78%	0.777	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-98.1	122.1	175.3	0	0	0	0	0	110.7
721	G	49.8	Very low	48.5	Very low	58 Å²	58	104.7 Å²	104.7	60%	0.598	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-54.7	157.4	167.7	0	0	0	0	0	111.4	P723	G721-P723 VanDerWaalsContact O-CD 3.3Å; G721-P723 WeakPolarHBondContact O-CD 3.34Å
722	P	40.2	Very low	48.6	Very low	127 Å²	127	106.1 Å²	106.1	83%	0.825	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-62.7	122.5	-169.9	24.7	-31.7	0	0	0	110.5	T724	P722-T724 PolarHBondContact O-N 3.25Å
723	P	46.4	Very low	48.7	Very low	106 Å²	106	101.9 Å²	101.9	69%	0.688	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-69.9	121	157.6	28.2	-27	0	0	0	106.2	G721 P725	G721-P723 VanDerWaalsContact O-CD 3.3Å; G721-P723 WeakPolarHBondContact O-CD 3.34Å; P723-P725 WeakPolarHBondContact O-CD 3.42Å; P723-P725 WeakPolarHBondContact O-CG 3.45Å; P723-P725 VanDerWaalsContact O-N 3.12Å
724	T	48.5	Very low	48.8	Very low	136 Å²	136	100.8 Å²	100.8	83%	0.834	63%	0.634	S	S	*	*			trans	-59.2	110.6	165.5	38.2	0	0	0	0	108.4	P722	P722-T724 PolarHBondContact O-N 3.25Å
725	P	47.4	Very low	48.8	Very low	83 Å²	83	100.8 Å²	100.8	54%	0.539	63%	0.634	S	S	.	*			trans	-88.8	134.2	178.4	2.1	18.9	0	0	0	108.4	P723 Y727	P723-P725 WeakPolarHBondContact O-CD 3.42Å; P723-P725 WeakPolarHBondContact O-CG 3.45Å; P723-P725 VanDerWaalsContact O-N 3.12Å; P725-Y727 PolarHBondContact O-N 2.97Å
726	P	48.8	Very low	49	Very low	116 Å²	116	99 Å²	99	75%	0.753	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	10.3	172.5	24.9	-32.1	0	0	0	114.4
727	Y	45.1	Very low	49	Very low	142 Å²	142	98.8 Å²	98.8	56%	0.557	61%	0.614	S	S	*	*	H	α-helix	trans	-77.3	-31.6	-179	-165.6	-97.9	0	0	0	113	P725 L730 A731	P725-Y727 PolarHBondContact O-N 2.97Å; Y727-L730 PolarHBondContact O-N 2.78Å; Y727-A731 VanDerWaalsContact O-CB 3.27Å; Y727-A731 WeakPolarHBondContact O-CB 3.23Å; Y727-A731 PolarHBondContact O-N 2.71Å
728	Q	47.9	Very low	48.6	Very low	143 Å²	143	99.6 Å²	99.6	67%	0.668	61%	0.607	S	S	*	*	H	α-helix	trans	-70.2	-37.1	-178.6	-117.8	175.1	-0.9	0	0	112.5	Q732	Q728-Q732 WeakPolarHBondContact O-CB 3.39Å; Q728-Q732 VanDerWaalsContact O-CG 3.26Å; Q728-Q732 WeakPolarHBondContact O-CG 3.33Å; Q728-Q732 PolarHBondContact O-N 3.23Å
729	E	48.2	Very low	48.8	Very low	129 Å²	129	94.7 Å²	94.7	60%	0.603	58%	0.575	S	S	*	*	H	α-helix	trans	-66.3	-39.8	173.9	-79.4	-169.1	150.6	0	0	111.9	L733	E729-L733 WeakPolarHBondContact O-CB 3.05Å; E729-L733 WeakPolarHBondContact O-CD1 3.41Å; E729-L733 WeakPolarHBondContact O-CG 3.05Å; E729-L733 PolarHBondContact O-N 2.95Å
730	L	50	Low	48.7	Very low	20 Å²	20	92.9 Å²	92.9	11%	0.105	56%	0.557	C	S	.	*	H	α-helix	trans	-71.5	-39.6	177.9	-170.2	70.3	0	0	0	112.1	L697 A701 A705 Y727 L733 L734	L697-L730 HydrophobicContact CD1-CD1 4.22Å; L697-L730 HydrophobicContact CD2-CD1 3.75Å; A701-L730 HydrophobicContact CB-CD2 4.17Å; A705-L730 HydrophobicContact CB-CD2 4.03Å; Y727-L730 PolarHBondContact O-N 2.78Å; L730-L733 WeakPolarHBondContact O-CB 2.99Å; L730-L733 PolarHBondContact O-N 2.98Å; L730-L734 HydrophobicContact CG-CD1 4.15Å; L730-L734 WeakPolarHBondContact O-CB 3.36Å; L730-L734 WeakPolarHBondContact O-CG 3.44Å; L730-L734 PolarHBondContact O-N 2.84Å
731	A	53	Low	49.1	Very low	42 Å²	42	94.2 Å²	94.2	35%	0.347	55%	0.55	S	S	.	.	H	α-helix	trans	-66.4	-37.6	176	0	0	0	0	0	111.8	Y727 A735	Y727-A731 VanDerWaalsContact O-CB 3.27Å; Y727-A731 WeakPolarHBondContact O-CB 3.23Å; Y727-A731 PolarHBondContact O-N 2.71Å; A731-A735 WeakPolarHBondContact O-CB 2.99Å; A731-A735 PolarHBondContact O-N 3.31Å
732	Q	54.4	Low	49.1	Very low	132 Å²	132	95.9 Å²	95.9	62%	0.617	54%	0.544	S	S	*	.	H	α-helix	trans	-67.4	-34.9	172.8	-77.2	176.3	-2.5	0	0	112.6	Q728 Q736	Q728-Q732 WeakPolarHBondContact O-CB 3.39Å; Q728-Q732 VanDerWaalsContact O-CG 3.26Å; Q728-Q732 WeakPolarHBondContact O-CG 3.33Å; Q728-Q732 PolarHBondContact O-N 3.23Å; Q732-Q736 WeakPolarHBondContact O-CG 3.34Å
733	L	50.9	Low	49.5	Very low	43 Å²	43	95.4 Å²	95.4	23%	0.225	53%	0.531	C	S	.	.	H	α-helix	trans	-68.5	-43.6	173.8	-89.9	159.7	0	0	0	112.7	Y615 E729 L730 A735 Q736 V739	Y615-L733 HydrophobicContact CE1-CD2 3.68Å; Y615-L733 WeakPolarHBondContact OH-CD2 3.22Å; E729-L733 WeakPolarHBondContact O-CB 3.05Å; E729-L733 WeakPolarHBondContact O-CD1 3.41Å; E729-L733 WeakPolarHBondContact O-CG 3.05Å; E729-L733 PolarHBondContact O-N 2.95Å; L730-L733 WeakPolarHBondContact O-CB 2.99Å; L730-L733 PolarHBondContact O-N 2.98Å; L733-A735 VanDerWaalsContact C-N 3.29Å; L733-A735 PolarHBondContact O-N 3.42Å; L733-Q736 PolarHBondContact O-N 3.34Å; L733-V739 WeakPolarHBondContact O-CG2 3.45Å
734	L	48.3	Very low	49.6	Very low	94 Å²	94	97.1 Å²	97.1	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-71.8	-22.6	176.9	-69.3	170.8	0	0	0	113.1	A705 L730 Q736 V739	A705-L734 HydrophobicContact CB-CD1 4.18Å; L730-L734 HydrophobicContact CG-CD1 4.15Å; L730-L734 WeakPolarHBondContact O-CB 3.36Å; L730-L734 WeakPolarHBondContact O-CG 3.44Å; L730-L734 PolarHBondContact O-N 2.84Å; L734-Q736 VanDerWaalsContact C-N 3.3Å; L734-V739 HydrophobicContact CD2-CG1 4.26Å
735	A	51.2	Low	49.5	Very low	80 Å²	80	99.5 Å²	99.5	66%	0.661	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.7	175.3	0	0	0	0	0	113.6	A731 L733	A731-A735 WeakPolarHBondContact O-CB 2.99Å; A731-A735 PolarHBondContact O-N 3.31Å; L733-A735 VanDerWaalsContact C-N 3.29Å; L733-A735 PolarHBondContact O-N 3.42Å
736	Q	52.3	Low	49.7	Very low	83 Å²	83	98.3 Å²	98.3	39%	0.388	52%	0.518	S	S	.	.	S	Bend	trans	-70.6	134.5	174.6	-66.7	-162.4	-17.2	0	0	110.7	Q732 L733 L734 E738 V739	Q732-Q736 WeakPolarHBondContact O-CG 3.34Å; L733-Q736 PolarHBondContact O-N 3.34Å; L734-Q736 VanDerWaalsContact C-N 3.3Å; Q736-E738 PolarHBondContact O-N 3.2Å; Q736-V739 HydrophobicContact CB-CG2 4.4Å; Q736-V739 PolarHBondContact O-N 3.1Å
737	P	49.7	Very low	49.8	Very low	111 Å²	111	97.1 Å²	97.1	72%	0.721	50%	0.502	S	S	*	.	H	α-helix	trans	-60.5	-23.3	-175.5	21.2	-30.7	0	0	0	113.4	G740	P737-G740 PolarHBondContact O-N 3.03Å
738	E	47.3	Very low	49.9	Very low	132 Å²	132	91.9 Å²	91.9	62%	0.617	49%	0.491	S	S	*	.	H	α-helix	trans	-70.4	-31	178.3	-61.6	-179.2	178.2	0	0	113.1	Q736 L741 I742	Q736-E738 PolarHBondContact O-N 3.2Å; E738-L741 PolarHBondContact O-N 3.48Å; E738-I742 PolarHBondContact O-N 2.94Å
739	V	48.3	Very low	49.7	Very low	35 Å²	35	93.2 Å²	93.2	21%	0.212	49%	0.491	C	S	.	.	H	α-helix	trans	-74.2	-31.4	178.5	-178.1	0	0	0	0	111.3	L733 L734 Q736 L741 I742 H743	L733-V739 WeakPolarHBondContact O-CG2 3.45Å; L734-V739 HydrophobicContact CD2-CG1 4.26Å; Q736-V739 HydrophobicContact CB-CG2 4.4Å; Q736-V739 PolarHBondContact O-N 3.1Å; V739-L741 VanDerWaalsContact C-N 3.34Å; V739-L741 PolarHBondContact O-N 3.47Å; V739-I742 PolarHBondContact O-N 3.32Å; V739-H743 PolarHBondContact O-N 2.79Å; V739-H743 VanDerWaalsContact O-N 3.09Å
740	G	51.3	Low	49.7	Very low	45 Å²	45	96.4 Å²	96.4	46%	0.464	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-37.2	171.6	0	0	0	0	0	113.2	P737 H743 Q744	P737-G740 PolarHBondContact O-N 3.03Å; G740-H743 PolarHBondContact O-N 3.26Å; G740-Q744 PolarHBondContact O-N 3.01Å
741	L	51.5	Low	49.6	Very low	121 Å²	121	105.2 Å²	105.2	63%	0.634	53%	0.53	S	S	*	.	H	α-helix	trans	-69	-39.8	176.2	-112.7	84.3	0	0	0	112.4	E738 V739 H743 Q744 Y745	E738-L741 PolarHBondContact O-N 3.48Å; V739-L741 VanDerWaalsContact C-N 3.34Å; V739-L741 PolarHBondContact O-N 3.47Å; L741-H743 VanDerWaalsContact C-N 3.33Å; L741-Q744 WeakPolarHBondContact O-CB 3.32Å; L741-Q744 PolarHBondContact O-N 2.95Å; L741-Y745 PolarHBondContact O-N 3.42Å
742	I	50.1	Low	49.1	Very low	94 Å²	94	111.1 Å²	111.1	48%	0.482	55%	0.55	S	S	.	.	H	α-helix	trans	-64.3	-39.7	176.3	-66.7	168.4	0	0	0	110.6	E738 V739 Q744 Y745 C746	E738-I742 PolarHBondContact O-N 2.94Å; V739-I742 PolarHBondContact O-N 3.32Å; I742-Q744 VanDerWaalsContact C-N 3.3Å; I742-Q744 PolarHBondContact O-N 3Å; I742-Y745 PolarHBondContact O-N 3.23Å; I742-C746 WeakPolarHBondContact O-CB 3.37Å; I742-C746 PolarHBondContact O-N 2.73Å; I742-C746 PolarHBondContact O-SG 2.71Å; I742-C746 VanDerWaalsContact O-SG 3.4Å
743	H	48.2	Very low	48.3	Very low	117 Å²	117	109.1 Å²	109.1	54%	0.542	55%	0.547	S	S	.	.	H	α-helix	trans	-63.5	-37.4	175.8	-163.1	64.9	0	0	0	112	V739 G740 L741 Q747	V739-H743 PolarHBondContact O-N 2.79Å; V739-H743 VanDerWaalsContact O-N 3.09Å; G740-H743 PolarHBondContact O-N 3.26Å; L741-H743 VanDerWaalsContact C-N 3.33Å; H743-Q747 PolarHBondContact CD2-NE2 3.36Å; H743-Q747 PolarHBondContact NE2-NE2 3.26Å; H743-Q747 WeakPolarHBondContact O-CB 3.47Å; H743-Q747 VanDerWaalsContact O-CG 3.28Å; H743-Q747 WeakPolarHBondContact O-CG 3.43Å; H743-Q747 PolarHBondContact O-N 2.77Å
744	Q	49.4	Very low	47.8	Very low	142 Å²	142	112.3 Å²	112.3	66%	0.664	57%	0.57	S	S	*	*	H	α-helix	trans	-66	-40.9	172.8	-118	178.1	2.9	0	0	112.6	G740 L741 I742 Q747 G748	G740-Q744 PolarHBondContact O-N 3.01Å; L741-Q744 WeakPolarHBondContact O-CB 3.32Å; L741-Q744 PolarHBondContact O-N 2.95Å; I742-Q744 VanDerWaalsContact C-N 3.3Å; I742-Q744 PolarHBondContact O-N 3Å; Q744-Q747 PolarHBondContact O-N 2.89Å; Q744-G748 PolarHBondContact O-N 3Å
745	Y	46.5	Very low	47.4	Very low	185 Å²	185	113.8 Å²	113.8	73%	0.725	59%	0.585	S	S	*	*	H	α-helix	trans	-67.8	-44.1	178.9	-161.9	-93.6	0	0	0	112.1	L741 I742 G748 Y749	L741-Y745 PolarHBondContact O-N 3.42Å; I742-Y745 PolarHBondContact O-N 3.23Å; Y745-G748 PolarHBondContact O-N 3.47Å; Y745-Y749 PolarHBondContact O-N 2.98Å
746	C	50.8	Low	46.7	Very low	58 Å²	58	115 Å²	115	39%	0.392	59%	0.588	S	S	.	*	H	α-helix	trans	-63.1	-42.8	174.7	-72	0	0	0	0	111.7	I742 G748 Y749 W750	I742-C746 WeakPolarHBondContact O-CB 3.37Å; I742-C746 PolarHBondContact O-N 2.73Å; I742-C746 PolarHBondContact O-SG 2.71Å; I742-C746 VanDerWaalsContact O-SG 3.4Å; C746-G748 VanDerWaalsContact C-N 3.28Å; C746-G748 PolarHBondContact O-N 3.23Å; C746-Y749 PolarHBondContact O-N 2.87Å; C746-W750 PolarHBondContact O-N 3.3Å
747	Q	50.8	Low	46.1	Very low	91 Å²	91	117.1 Å²	117.1	43%	0.425	61%	0.609	S	S	.	*	H	α-helix	trans	-63.8	-31.4	175.1	-77.1	-173.7	6.9	0	0	113	H743 Q744 R751	H743-Q747 PolarHBondContact CD2-NE2 3.36Å; H743-Q747 PolarHBondContact NE2-NE2 3.26Å; H743-Q747 WeakPolarHBondContact O-CB 3.47Å; H743-Q747 VanDerWaalsContact O-CG 3.28Å; H743-Q747 WeakPolarHBondContact O-CG 3.43Å; H743-Q747 PolarHBondContact O-N 2.77Å; Q744-Q747 PolarHBondContact O-N 2.89Å; Q747-R751 WeakPolarHBondContact O-CG 3.32Å
748	G	47.3	Very low	45.3	Very low	32 Å²	32	123.3 Å²	123.3	33%	0.33	62%	0.619	S	S	.	*	H	α-helix	trans	-67.5	-41.5	172.5	0	0	0	0	0	113	Q744 Y745 C746 R751 H752	Q744-G748 PolarHBondContact O-N 3Å; Y745-G748 PolarHBondContact O-N 3.47Å; C746-G748 VanDerWaalsContact C-N 3.28Å; C746-G748 PolarHBondContact O-N 3.23Å; G748-R751 PolarHBondContact O-N 3.05Å; G748-H752 PolarHBondContact O-CD2 3.16Å; G748-H752 VanDerWaalsContact O-CD2 3.28Å
749	Y	45.2	Very low	44.7	Very low	171 Å²	171	126.7 Å²	126.7	67%	0.671	63%	0.634	S	S	*	*	H	α-helix	trans	-65.9	-40.4	-179.7	-162.6	-95.2	0	0	0	112.6	Y745 C746 R751 H752	Y745-Y749 PolarHBondContact O-N 2.98Å; C746-Y749 PolarHBondContact O-N 2.87Å; Y749-R751 VanDerWaalsContact C-N 3.29Å; Y749-R751 PolarHBondContact O-N 2.78Å; Y749-H752 PolarHBondContact O-N 2.94Å
750	W	46.7	Very low	43.8	Very low	197 Å²	197	129.8 Å²	129.8	75%	0.746	66%	0.663	S	S	*	*	H	α-helix	trans	-72.3	-16.8	178.3	-70.1	110.8	0	0	0	114.3	C746 H752	C746-W750 PolarHBondContact O-N 3.3Å; W750-H752 VanDerWaalsContact C-N 3.31Å
751	R	48.5	Very low	43.2	Very low	204 Å²	204	134 Å²	134	77%	0.77	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-8.6	175.7	-77.2	-179.5	-179.1	-168.9	2.4	114.1	Q747 G748 Y749	Q747-R751 WeakPolarHBondContact O-CG 3.32Å; G748-R751 PolarHBondContact O-N 3.05Å; Y749-R751 VanDerWaalsContact C-N 3.29Å; Y749-R751 PolarHBondContact O-N 2.78Å
752	H	42	Very low	42.3	Very low	166 Å²	166	131.8 Å²	131.8	77%	0.769	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	8.2	-177.9	-72.7	-61.1	0	0	0	114.8	G748 Y749 W750 P754	G748-H752 PolarHBondContact O-CD2 3.16Å; G748-H752 VanDerWaalsContact O-CD2 3.28Å; Y749-H752 PolarHBondContact O-N 2.94Å; W750-H752 VanDerWaalsContact C-N 3.31Å; H752-P754 WeakPolarHBondContact O-CD 3.38Å
753	V	38.6	Very low	41.3	Very low	91 Å²	91	132 Å²	132	55%	0.552	71%	0.705	S	S	*	*	S	Bend	trans	-86.6	112.4	168.1	-174.6	0	0	0	0	107.9
754	P	40.3	Very low	40.7	Very low	110 Å²	110	132.3 Å²	132.3	71%	0.714	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-68.7	134.6	174.8	7.8	3.5	0	0	0	108.8	H752	H752-P754 WeakPolarHBondContact O-CD 3.38Å
755	P	38.8	Very low	40	Very low	124 Å²	124	137.7 Å²	137.7	81%	0.805	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-68.5	135.4	171.1	24.8	-26.1	0	0	0	109.6
756	S	37.7	Very low	39.2	Very low	105 Å²	105	134.2 Å²	134.2	73%	0.734	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-58.1	142.7	172.8	62.8	0	0	0	0	111	R758	S756-R758 PolarHBondContact O-N 3.33Å
757	P	38.9	Very low	38.5	Very low	128 Å²	128	137.4 Å²	137.4	83%	0.831	75%	0.754	S	S	*	*			trans	-78	113.5	-176.8	30.8	-31	0	0	0	110.5
758	R	34	Very low	37.7	Very low	242 Å²	242	141.5 Å²	141.5	91%	0.913	77%	0.774	S	S	*	*			trans	-129.9	121.9	153.5	-82.6	-169.5	164.1	-179.3	-4.3	108.6	S756	S756-R758 PolarHBondContact O-N 3.33Å
759	E	33.2	Very low	37.1	Very low	203 Å²	203	146.1 Å²	146.1	95%	0.949	80%	0.798	S	S	*	*			trans	-59.9	140.1	179.4	-66.4	168.6	132	0	0	112.4
760	A	30.3	Very low	36.4	Very low	99 Å²	99	148.3 Å²	148.3	82%	0.818	81%	0.805	S	S	*	*				-166.1	151.2	129.5	0	0	0	0	0	111.3
761	P	38.2	Very low	35.7	Very low	133 Å²	133	145 Å²	145	86%	0.864	80%	0.802	S	S	*	*			trans	-108.5	153.9	-157	33.2	-19	0	0	0	114.3
762	G	32.3	Very low	34.9	Very low	75 Å²	75	144.6 Å²	144.6	77%	0.773	81%	0.808	S	S	*	*			trans	145	128.5	155.6	0	0	0	0	0	117.1
763	A	30.2	Very low	34.4	Very low	100 Å²	100	146 Å²	146	83%	0.826	81%	0.812	S	S	*	*			trans	93.4	155.1	154.9	0	0	0	0	0	118
764	P	35.7	Very low	34.1	Very low	123 Å²	123	151.4 Å²	151.4	80%	0.799	83%	0.829	S	S	*	*				-118.9	162.8	-103.1	14.1	9.8	0	0	0	114.2
765	R	33.6	Very low	34	Very low	254 Å²	254	152.5 Å²	152.5	96%	0.958	84%	0.836	S	S	*	*			trans	-65.8	144	175.8	-79.1	177.2	163.7	174.1	-5.2	113
766	S	30.8	Very low	33.7	Very low	112 Å²	112	157.9 Å²	157.9	78%	0.783	84%	0.84	S	S	*	*			trans	-121.2	156.3	162.9	56.2	0	0	0	0	110.9
767	P	36.3	Very low	33.4	Very low	125 Å²	125	160.1 Å²	160.1	81%	0.812	84%	0.844	S	S	*	*			trans	-96.7	154.5	-147.7	35.5	-32.5	0	0	0	115.4
768	E	33.5	Very low	33.1	Very low	178 Å²	178	164.6 Å²	164.6	83%	0.832	84%	0.844	S	S	*	*			trans	-66.5	145.8	169.4	-74.7	-177.1	146.3	0	0	112.7
769	P	34.1	Very low	33.1	Very low	128 Å²	128	163.7 Å²	163.7	83%	0.831	84%	0.84	S	S	*	*			trans	-106.1	124.7	153.5	20.3	-2.5	0	0	0	111.3
770	R	31.1	Very low	33.1	Very low	218 Å²	218	162.5 Å²	162.5	82%	0.823	84%	0.835	S	S	*	*			trans	-82.9	139.7	163.7	-77.2	-177.6	172.4	-177.9	-2.1	110.6
771	D	31.5	Very low	33.5	Very low	128 Å²	128	165.3 Å²	165.3	68%	0.684	83%	0.83	S	S	*	*				147.3	131.9	113.1	-94.8	-29.5	0	0	0	110.6
772	Q	31.7	Very low	33.8	Very low	194 Å²	194	164.5 Å²	164.5	91%	0.907	83%	0.825	S	S	*	*				179.2	138.5	106	-91.3	178.7	31.8	0	0	112.5
773	K	31.6	Very low	34.7	Very low	196 Å²	196	165.7 Å²	165.7	85%	0.852	82%	0.82	S	S	*	*			trans	-74.1	148.6	-171.4	-69.7	157.2	171.9	166.1	0	113
774	K	32.3	Very low	34.9	Very low	205 Å²	205	167.8 Å²	167.8	89%	0.891	82%	0.817	S	S	*	*			trans	-104.8	147.5	152.8	-84.1	-176.1	177.5	178.8	0	110.3
775	P	37.3	Very low	34.9	Very low	133 Å²	133	172.6 Å²	172.6	86%	0.864	84%	0.844	S	S	*	*			trans	-89.4	160.5	-168.2	34.8	-33.5	0	0	0	115.1
776	R	33.8	Very low	35	Very low	237 Å²	237	168.6 Å²	168.6	89%	0.894	84%	0.839	S	S	*	*			trans	-66.8	153.4	-175.8	-108.2	170.6	165.6	169	-4.8	115.5
777	N	30.9	Very low	35.2	Very low	152 Å²	152	171.5 Å²	171.5	81%	0.813	84%	0.841	S	S	*	*				177.7	145.5	123	-98.2	-16.1	0	0	0	109.3
778	R	32.7	Very low	35.1	Very low	221 Å²	221	174.1 Å²	174.1	83%	0.834	84%	0.843	S	S	*	*			cis	-169.9	126.3	-24.8	-167.9	175.1	-176.1	179	1.1	102.6
779	R	33.6	Very low	35.2	Very low	223 Å²	223	173.9 Å²	173.9	84%	0.842	84%	0.844	S	S	*	*			trans	-77	151.5	177.4	-74.7	-179.8	176.7	177	-3.3	111
780	H	33.2	Very low	35.3	Very low	179 Å²	179	176.8 Å²	176.8	83%	0.829	85%	0.845	S	S	*	*			trans	-129.7	115.9	147.3	-100.6	-72.1	0	0	0	109.5
781	H	39.7	Very low	35.6	Very low	157 Å²	157	174 Å²	174	73%	0.727	85%	0.846	S	S	*	*			trans	-103.3	163.8	152.2	-90.8	-44.8	0	0	0	106
782	P	43.9	Very low	35.8	Very low	117 Å²	117	177.3 Å²	177.3	76%	0.76	86%	0.858	S	S	*	*				-157	-152.4	63.6	39.4	-12.2	0	0	0	113.7
783	P	51.4	Low	36.2	Very low	100 Å²	100	176 Å²	176	65%	0.649	85%	0.854	S	S	*	*				-133.4	-174.5	-79.1	43.1	-25.6	0	0	0	114.2
784	D	35.1	Very low	36.5	Very low	144 Å²	144	174.3 Å²	174.3	77%	0.77	85%	0.854	S	S	*	*			trans	71.2	103.7	153.4	-57.4	-23.2	0	0	0	121.3
785	T	34.7	Very low	36.9	Very low	224 Å²	224	171.5 Å²	171.5	100%	1.374	85%	0.85	S	S	*	*				-168.2	0	117.8	14.7	0	0	0	0	111.3

Retrieved 785 of 785 residues in 227.6 ms (Link to these results)

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