A0A2K5YPF7_MANLE Loading...

Major histocompatibility complex, class II, DM beta

AlphaFold DB , UniProt , Accession A0A2K5YPF7, Species MANLE (Mandrillus leucophaeus, Drill), Gene HLA-DMB, Length 263 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	47.6	Very low	47.3	Very low	232 Å²	232	130.6 Å²	130.6	100%	1.143	69%	0.693	S	S	*	*				0	125	0	-162.6	166.3	77.1	0	0	106
2	I	52	Low	47.3	Very low	153 Å²	153	126.7 Å²	126.7	79%	0.785	68%	0.683	S	S	*	*			trans	119	19	-176.8	-56.1	154.8	0	0	0	116.1
3	I	48.8	Very low	47.5	Very low	143 Å²	143	128.4 Å²	128.4	73%	0.733	69%	0.691	S	S	*	*	S	Bend	trans	-126.7	-9.1	166.8	-56.4	179.8	0	0	0	114	P6	I3-P6 WeakPolarHBondContact O-CD 3.25Å
4	F	44	Very low	47.4	Very low	170 Å²	170	123 Å²	123	75%	0.746	68%	0.681	S	S	*	*	S	Bend	trans	-87	-13.7	179.3	-88.7	-81.9	0	0	0	115.4
5	L	40.9	Very low	47.8	Very low	131 Å²	131	121.9 Å²	121.9	69%	0.686	68%	0.683	S	S	*	*	H	α-helix	trans	-72.9	-38.2	-177.9	-143.8	74.8	0	0	0	114.8
6	P	51.1	Low	48.4	Very low	89 Å²	89	122.4 Å²	122.4	58%	0.578	69%	0.691	S	S	*	*	H	α-helix	trans	-77	-20.9	178.8	27.8	-32.1	0	0	0	113.8	I3 L9 G10	I3-P6 WeakPolarHBondContact O-CD 3.25Å; P6-L9 PolarHBondContact O-N 3.31Å; P6-G10 PolarHBondContact O-N 3.18Å
7	L	46	Very low	48.6	Very low	120 Å²	120	129.3 Å²	129.3	63%	0.628	70%	0.703	S	S	*	*	H	α-helix	trans	-71.9	-33.2	176.1	-123.4	95	0	0	0	112.3	G10 L11	L7-G10 PolarHBondContact O-N 2.83Å; L7-L11 PolarHBondContact O-N 3.3Å
8	L	45.8	Very low	49.4	Very low	120 Å²	120	127.7 Å²	127.7	63%	0.628	71%	0.71	S	S	*	*	H	α-helix	trans	-72.6	-30.8	175.3	-85.6	152.8	0	0	0	112.6
9	L	46	Very low	50.5	Low	108 Å²	108	123.6 Å²	123.6	57%	0.565	70%	0.7	S	S	*	*	H	α-helix	trans	-75.7	-24.1	172.5	-94	121.8	0	0	0	113.4	P6 S12	P6-L9 PolarHBondContact O-N 3.31Å; L9-S12 PolarHBondContact O-OG 3.22Å
10	G	48.7	Very low	52.3	Low	46 Å²	46	121.3 Å²	121.3	47%	0.474	71%	0.705	S	S	.	*	H	α-helix	trans	-72.8	-32.7	172.2	0	0	0	0	0	113.3	P6 L7 L13 G14	P6-G10 PolarHBondContact O-N 3.18Å; L7-G10 PolarHBondContact O-N 2.83Å; G10-L13 PolarHBondContact O-N 2.81Å; G10-G14 PolarHBondContact O-N 2.97Å
11	L	49.4	Very low	54.2	Low	125 Å²	125	121.8 Å²	121.8	65%	0.654	70%	0.699	S	S	*	*	H	α-helix	trans	-74.3	-25.5	177.3	-82.2	154.4	0	0	0	113.2	L7	L7-L11 PolarHBondContact O-N 3.3Å
12	S	47.2	Very low	56.5	Low	83 Å²	83	114.8 Å²	114.8	58%	0.58	67%	0.669	S	S	*	*	H	α-helix	trans	-78.1	-20.8	175.2	61.9	0	0	0	0	113.6	L9	L9-S12 PolarHBondContact O-OG 3.22Å
13	L	49.8	Very low	58.6	Low	149 Å²	149	110.9 Å²	110.9	78%	0.78	66%	0.66	S	S	*	*	S	Bend	trans	-87.3	-11.8	174.1	-71	163.8	0	0	0	113.1	G10	G10-L13 PolarHBondContact O-N 2.81Å
14	G	47.1	Very low	61	Low	53 Å²	53	108.1 Å²	108.1	55%	0.546	64%	0.643	S	S	.	*	S	Bend	trans	-92.2	-9.9	178.7	0	0	0	0	0	115.2	G10 T16	G10-G14 PolarHBondContact O-N 2.97Å; G14-T16 VanDerWaalsContact C-N 3.25Å; G14-T16 PolarHBondContact O-N 3.26Å
15	C	53.4	Low	63.5	Low	107 Å²	107	104.6 Å²	104.6	72%	0.723	64%	0.635	S	S	*	*			trans	-80	76.1	173.4	-83.8	0	0	0	0	110.2	R17	C15-R17 PolarHBondContact O-N 3.05Å
16	T	56	Low	66.3	Low	130 Å²	130	103.7 Å²	103.7	80%	0.798	63%	0.628	S	S	*	*			trans	-61.2	103.2	164.3	48	0	0	0	0	108.9	G14	G14-T16 VanDerWaalsContact C-N 3.25Å; G14-T16 PolarHBondContact O-N 3.26Å
17	R	52.7	Low	68.5	Low	239 Å²	239	103.1 Å²	103.1	90%	0.902	63%	0.626	S	S	*	*			trans	53.1	86.9	164.3	-104	178.5	-165.1	169.4	5	114.5	C15 G19	C15-R17 PolarHBondContact O-N 3.05Å; R17-G19 PolarHBondContact O-N 2.93Å; R17-G19 VanDerWaalsContact O-N 3.09Å
18	A	62.8	Low	71	Confident	100 Å²	100	100.6 Å²	100.6	83%	0.826	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-58.2	116.2	151.1	0	0	0	0	0	107.5
19	G	70.8	Confident	73.5	Confident	50 Å²	50	97.2 Å²	97.2	52%	0.515	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-60.3	144.1	172.3	0	0	0	0	0	110	R17	R17-G19 PolarHBondContact O-N 2.93Å; R17-G19 VanDerWaalsContact O-N 3.09Å
20	G	86.2	Confident	76	Confident	78 Å²	78	97 Å²	97	80%	0.804	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-71.9	132.9	172.2	0	0	0	0	0	110.2
21	F	93.1	Very high	78.3	Confident	132 Å²	132	95.9 Å²	95.9	58%	0.579	58%	0.583	S	S	*	*			trans	-109.4	156.3	171.4	-62	-73.2	0	0	0	110.3	F46 N47	F21-F46 HydrophobicContact CB-CE1 4.35Å; F21-F46 HydrophobicContact CB-CE2 3.72Å; F21-F46 HydrophobicContact CB-CZ 3.47Å; F21-F46 VanDerWaalsContact CB-CZ 3.47Å; F21-F46 HydrophobicContact CD1-CE1 4.08Å; F21-F46 AromaticContact CD1-CZ 3.94Å; F21-F46 HydrophobicContact CD1-CZ 3.94Å; F21-F46 HydrophobicContact CD2-CZ 4.13Å; F21-F46 HydrophobicContact CG-CE1 4.2Å; F21-F46 HydrophobicContact CG-CE2 4.35Å; F21-F46 AromaticContact CG-CZ 3.59Å; F21-F46 HydrophobicContact CG-CZ 3.59Å; F21-N47 HydrophobicContact CD1-CB 4.04Å
22	V	95.2	Very high	80.6	Confident	84 Å²	84	91.8 Å²	91.8	51%	0.509	56%	0.562	S	S	.	*			trans	-126.1	128.7	177.5	-176.6	0	0	0	0	109.2	H24 N47	V22-H24 VanDerWaalsContact CG1-CE1 3.42Å; V22-H24 WeakPolarHBondContact CG1-CE1 3.01Å; V22-N47 PolarHBondContact O-N 3.5Å
23	A	96.4	Very high	82.8	Confident	72 Å²	72	94 Å²	94	60%	0.595	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.4	142.3	169.5	0	0	0	0	0	109.5	S45 F46	A23-S45 CarbonylContact C-O 3.51Å; A23-S45 WeakPolarHBondContact CA-O 3.12Å; A23-F46 HydrophobicContact CB-CD2 4.18Å
24	H	97.6	Very high	85	Confident	84 Å²	84	93.9 Å²	93.9	39%	0.389	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.8	135.5	173.6	-60.4	77.2	0	0	0	108.9	V22 I44 S45	V22-H24 VanDerWaalsContact CG1-CE1 3.42Å; V22-H24 WeakPolarHBondContact CG1-CE1 3.01Å; H24-I44 WeakPolarHBondContact O-CA 3.45Å; H24-S45 PolarHBondContact N-O 2.82Å; H24-S45 PolarHBondContact O-N 3.01Å
25	V	98.1	Very high	87.3	Confident	96 Å²	96	91.9 Å²	91.9	58%	0.582	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	94.7	164.9	179.7	0	0	0	0	105	Y42 I44	V25-Y42 HydrophobicContact CG1-CE2 3.67Å; V25-Y42 WeakPolarHBondContact CG1-OH 3.36Å; V25-I44 HydrophobicContact CG2-CD1 4.44Å
26	E	98.4	Very high	89.4	Confident	113 Å²	113	90 Å²	90	53%	0.528	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.6	-170.5	-173.3	168.6	-123.9	0	0	110.1	Y42 C43	E26-Y42 CarbonylContact O-C 3.59Å; E26-Y42 WeakPolarHBondContact O-CA 3.39Å; E26-C43 PolarHBondContact N-O 2.88Å; E26-C43 PolarHBondContact O-N 2.94Å
27	S	97.9	Very high	91.4	Very high	76 Å²	76	84.6 Å²	84.6	53%	0.531	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.7	171	59.9	0	0	0	0	109.1	T41	S27-T41 CarbonylContact C-O 3.59Å; S27-T41 VanDerWaalsContact CA-O 3.23Å; S27-T41 WeakPolarHBondContact CA-O 3.35Å
28	T	98.3	Very high	93.5	Very high	68 Å²	68	78.9 Å²	78.9	42%	0.417	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.2	177.8	-48.5	0	0	0	0	109.1	F40 T41	T28-F40 WeakPolarHBondContact O-CA 3.36Å; T28-T41 VanDerWaalsContact CB-OG1 3.31Å; T28-T41 WeakPolarHBondContact CB-OG1 3.41Å; T28-T41 PolarHBondContact N-O 2.6Å; T28-T41 PolarHBondContact O-N 3.49Å
29	C	98.1	Very high	95.2	Very high	48 Å²	48	78.1 Å²	78.1	32%	0.324	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.4	170.2	-65.1	0	0	0	0	107.7	L31 C97	C29-L31 HydrophobicContact CB-CD1 3.65Å; C29-C97 HydrophobicContact CB-CB 3.62Å; C29-C97 WeakPolarHBondContact CB-SG 3.37Å; C29-C97 WeakPolarHBondContact SG-CB 3.5Å; C29-C97 CovalentContact SG-SG 2.03Å; C29-C97 PolarHBondContact SG-SG 3.33Å
30	L	98.1	Very high	96.5	Very high	104 Å²	104	77 Å²	77	55%	0.545	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.1	169.1	-169.4	78	0	0	0	107.8	A37 K38 D39	L30-A37 CarbonylContact O-C 3.59Å; L30-A37 WeakPolarHBondContact O-CA 3.39Å; L30-K38 HydrophobicContact CD2-CB 4.16Å; L30-K38 PolarHBondContact O-N 3.4Å; L30-D39 HydrophobicContact CB-CB 3.82Å; L30-D39 HydrophobicContact CD2-CB 4.11Å; L30-D39 PolarHBondContact N-O 3.24Å; L30-D39 PolarHBondContact O-N 3.4Å
31	L	97.9	Very high	97.1	Very high	23 Å²	23	75.7 Å²	75.7	12%	0.12	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.8	177.7	-51.9	89	0	0	0	109.7	C29 T36 A37 T101 W105	C29-L31 HydrophobicContact CB-CD1 3.65Å; L31-T36 WeakPolarHBondContact CA-O 2.85Å; L31-A37 HydrophobicContact CG-CB 4.43Å; L31-T101 HydrophobicContact CD1-CG2 4.35Å; L31-T101 HydrophobicContact CD2-CG2 4.26Å; L31-T101 VanDerWaalsContact CD2-OG1 3.25Å; L31-T101 WeakPolarHBondContact CD2-OG1 3.39Å; L31-W105 HydrophobicContact CB-CH2 4.03Å; L31-W105 HydrophobicContact CB-CZ2 3.53Å; L31-W105 HydrophobicContact CD1-CH2 3.79Å; L31-W105 HydrophobicContact CD1-CZ2 4.18Å; L31-W105 HydrophobicContact CD1-CZ3 3.97Å; L31-W105 HydrophobicContact CD2-CD2 4.4Å; L31-W105 HydrophobicContact CG-CH2 4.42Å; L31-W105 HydrophobicContact CG-CZ2 4.32Å
32	D	96.8	Very high	97.3	Very high	39 Å²	39	70.3 Å²	70.3	21%	0.209	40%	0.398	C	S	.	.			trans	-83.6	178.6	169.3	63.8	15.9	0	0	0	112.4	D34 G35 T36 K38 W105	D32-D34 PolarHBondContact O-N 3.33Å; D32-D34 PolarHBondContact OD1-N 2.8Å; D32-G35 PolarHBondContact O-N 3.44Å; D32-G35 PolarHBondContact OD1-N 2.87Å; D32-G35 VanDerWaalsContact OD1-N 3.09Å; D32-T36 PolarHBondContact N-O 2.91Å; D32-T36 VanDerWaalsContact N-O 3.1Å; D32-T36 WeakPolarHBondContact OD1-CA 3.34Å; D32-T36 WeakPolarHBondContact OD1-CB 3.41Å; D32-T36 PolarHBondContact OD1-N 3.27Å; D32-T36 WeakPolarHBondContact OD2-CB 3.31Å; D32-K38 WeakPolarHBondContact OD2-CE 3.31Å; D32-K38 IonicContact OD2-NZ 2.69Å; D32-K38 PolarHBondContact OD2-NZ 2.92Å; D32-W105 PolarHBondContact O-NE1 2.82Å
33	D	95.3	Very high	97.5	Very high	128 Å²	128	67.2 Å²	67.2	68%	0.684	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.2	-178.6	-65.3	-30.4	0	0	0	113	G35	D33-G35 PolarHBondContact O-N 3.4Å
34	D	95.6	Very high	97.6	Very high	147 Å²	147	64.8 Å²	64.8	79%	0.786	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.2	176.5	-65.5	-37.7	0	0	0	112.8	D32	D32-D34 PolarHBondContact O-N 3.33Å; D32-D34 PolarHBondContact OD1-N 2.8Å
35	G	95.4	Very high	97.6	Very high	11 Å²	11	61.5 Å²	61.5	11%	0.113	34%	0.343	C	S	.	.			trans	82.1	17.3	-178.6	0	0	0	0	0	114.3	D32 D33	D32-G35 PolarHBondContact O-N 3.44Å; D32-G35 PolarHBondContact OD1-N 2.87Å; D32-G35 VanDerWaalsContact OD1-N 3.09Å; D33-G35 PolarHBondContact O-N 3.4Å
36	T	97.1	Very high	97.5	Very high	68 Å²	68	60.4 Å²	60.4	42%	0.417	33%	0.33	S	S	.	.			trans	-82.1	119	172.9	-52.9	0	0	0	0	109.6	L31 D32 K38	L31-T36 WeakPolarHBondContact CA-O 2.85Å; D32-T36 PolarHBondContact N-O 2.91Å; D32-T36 VanDerWaalsContact N-O 3.1Å; D32-T36 WeakPolarHBondContact OD1-CA 3.34Å; D32-T36 WeakPolarHBondContact OD1-CB 3.41Å; D32-T36 PolarHBondContact OD1-N 3.27Å; D32-T36 WeakPolarHBondContact OD2-CB 3.31Å; T36-K38 PolarHBondContact O-N 3.49Å
37	A	97.4	Very high	97.3	Very high	16 Å²	16	59.2 Å²	59.2	13%	0.132	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	126.1	172.9	0	0	0	0	0	111.3	L30 L31 L94 C97	L30-A37 CarbonylContact O-C 3.59Å; L30-A37 WeakPolarHBondContact O-CA 3.39Å; L31-A37 HydrophobicContact CG-CB 4.43Å; A37-L94 HydrophobicContact CB-CB 4.27Å; A37-L94 HydrophobicContact CB-CD2 3.89Å; A37-L94 WeakPolarHBondContact CB-O 3.34Å; A37-C97 HydrophobicContact CB-CB 3.97Å
38	K	97.7	Very high	97.2	Very high	120 Å²	120	64.9 Å²	64.9	52%	0.522	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-33.4	178.1	-60.3	-54.9	-177.5	-163.6	0	112.7	L30 D32 T36	L30-K38 HydrophobicContact CD2-CB 4.16Å; L30-K38 PolarHBondContact O-N 3.4Å; D32-K38 WeakPolarHBondContact OD2-CE 3.31Å; D32-K38 IonicContact OD2-NZ 2.69Å; D32-K38 PolarHBondContact OD2-NZ 2.92Å; T36-K38 PolarHBondContact O-N 3.49Å
39	D	97.8	Very high	97.1	Very high	83 Å²	83	64 Å²	64	44%	0.444	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.3	-179	-166.5	19.1	0	0	0	110.9	L30	L30-D39 HydrophobicContact CB-CB 3.82Å; L30-D39 HydrophobicContact CD2-CB 4.11Å; L30-D39 PolarHBondContact N-O 3.24Å; L30-D39 PolarHBondContact O-N 3.4Å
40	F	98.3	Very high	97.1	Very high	28 Å²	28	65.3 Å²	65.3	12%	0.123	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	125.9	178.8	168.5	-102.7	0	0	0	110.5	T28 L90 L94	T28-F40 WeakPolarHBondContact O-CA 3.36Å; F40-L90 HydrophobicContact CE1-CB 4.43Å; F40-L90 HydrophobicContact CE1-CD2 3.93Å; F40-L90 HydrophobicContact CZ-CD2 3.79Å; F40-L94 HydrophobicContact CB-CD2 3.86Å; F40-L94 HydrophobicContact CB-CG 4.24Å
41	T	98.3	Very high	97.1	Very high	50 Å²	50	60.4 Å²	60.4	31%	0.307	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	150	174.6	65.6	0	0	0	0	110.9	S27 T28	S27-T41 CarbonylContact C-O 3.59Å; S27-T41 VanDerWaalsContact CA-O 3.23Å; S27-T41 WeakPolarHBondContact CA-O 3.35Å; T28-T41 VanDerWaalsContact CB-OG1 3.31Å; T28-T41 WeakPolarHBondContact CB-OG1 3.41Å; T28-T41 PolarHBondContact N-O 2.6Å; T28-T41 PolarHBondContact O-N 3.49Å
42	Y	98.6	Very high	97.2	Very high	19 Å²	19	59.3 Å²	59.3	8%	0.075	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	114.9	172.5	178.9	-95.7	0	0	0	108.8	V25 E26 C53 W54 M61 L86 L90	V25-Y42 HydrophobicContact CG1-CE2 3.67Å; V25-Y42 WeakPolarHBondContact CG1-OH 3.36Å; E26-Y42 CarbonylContact O-C 3.59Å; E26-Y42 WeakPolarHBondContact O-CA 3.39Å; Y42-C53 CarbonylContact O-C 3.55Å; Y42-C53 WeakPolarHBondContact O-CA 3.38Å; Y42-W54 PolarHBondContact O-N 3.45Å; Y42-M61 HydrophobicContact CD1-CE 3.81Å; Y42-M61 HydrophobicContact CD1-SD 3.89Å; Y42-M61 HydrophobicContact CE1-CE 4.11Å; Y42-M61 HydrophobicContact CE1-SD 4.31Å; Y42-L86 HydrophobicContact CE1-CD1 4.18Å; Y42-L90 HydrophobicContact CD1-CD1 3.77Å; Y42-L90 HydrophobicContact CD1-CD2 3.75Å; Y42-L90 HydrophobicContact CD1-CG 4.42Å; Y42-L90 HydrophobicContact CD2-CD2 3.85Å; Y42-L90 HydrophobicContact CE1-CD1 4.27Å; Y42-L90 HydrophobicContact CE1-CD2 4.39Å; Y42-L90 HydrophobicContact CG-CD1 4.3Å; Y42-L90 HydrophobicContact CG-CD2 3.43Å; Y42-L90 VanDerWaalsContact CG-CD2 3.43Å
43	C	98.6	Very high	97.2	Very high	18 Å²	18	58.6 Å²	58.6	12%	0.122	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.7	-171.2	-63.4	0	0	0	0	112.1	E26 L50 T52 C53	E26-C43 PolarHBondContact N-O 2.88Å; E26-C43 PolarHBondContact O-N 2.94Å; C43-L50 HydrophobicContact CB-CD1 3.77Å; C43-T52 CarbonylContact C-O 3.55Å; C43-T52 VanDerWaalsContact CA-O 3.31Å; C43-T52 WeakPolarHBondContact CA-O 3.44Å; C43-C53 HydrophobicContact CB-CB 4.18Å; C43-C53 WeakPolarHBondContact CB-SG 3.28Å; C43-C53 WeakPolarHBondContact SG-CB 3.34Å; C43-C53 CovalentContact SG-SG 2.05Å; C43-C53 PolarHBondContact SG-SG 3.19Å
44	I	98.4	Very high	97.4	Very high	21 Å²	21	53.3 Å²	53.3	11%	0.108	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.7	172.4	-56.2	-158.7	0	0	0	109.1	H24 V25 L51 T52 I76 L80	H24-I44 WeakPolarHBondContact O-CA 3.45Å; V25-I44 HydrophobicContact CG2-CD1 4.44Å; I44-L51 WeakPolarHBondContact O-CB 3.4Å; I44-L51 PolarHBondContact O-N 2.94Å; I44-T52 HydrophobicContact CB-CG2 4.11Å; I44-T52 HydrophobicContact CG1-CG2 4.48Å; I44-T52 PolarHBondContact N-O 2.93Å; I44-T52 PolarHBondContact O-N 3.37Å; I44-I76 HydrophobicContact CD1-CG2 4.04Å; I44-L80 HydrophobicContact CD1-CD1 3.48Å; I44-L80 VanDerWaalsContact CD1-CD1 3.48Å; I44-L80 HydrophobicContact CD1-CD2 4.29Å; I44-L80 HydrophobicContact CD1-CG 4.44Å; I44-L80 HydrophobicContact CG1-CD1 4.24Å
45	S	97.8	Very high	97.5	Very high	16 Å²	16	48.2 Å²	48.2	11%	0.112	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.2	175.4	-54.6	0	0	0	0	111.1	A23 H24 D49 L50	A23-S45 CarbonylContact C-O 3.51Å; A23-S45 WeakPolarHBondContact CA-O 3.12Å; H24-S45 PolarHBondContact N-O 2.82Å; H24-S45 PolarHBondContact O-N 3.01Å; S45-D49 CarbonylContact C-O 3.42Å; S45-D49 WeakPolarHBondContact CA-O 3.3Å; S45-D49 VanDerWaalsContact CB-O 3.24Å; S45-D49 WeakPolarHBondContact CB-O 3.47Å; S45-L50 WeakPolarHBondContact OG-CD1 3.33Å
46	F	96.5	Very high	97.6	Very high	73 Å²	73	51.4 Å²	51.4	32%	0.32	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129	174.5	-178.9	-101	0	0	0	110.2	F21 A23 K48 D49 L51 L69	F21-F46 HydrophobicContact CB-CE1 4.35Å; F21-F46 HydrophobicContact CB-CE2 3.72Å; F21-F46 HydrophobicContact CB-CZ 3.47Å; F21-F46 VanDerWaalsContact CB-CZ 3.47Å; F21-F46 HydrophobicContact CD1-CE1 4.08Å; F21-F46 AromaticContact CD1-CZ 3.94Å; F21-F46 HydrophobicContact CD1-CZ 3.94Å; F21-F46 HydrophobicContact CD2-CZ 4.13Å; F21-F46 HydrophobicContact CG-CE1 4.2Å; F21-F46 HydrophobicContact CG-CE2 4.35Å; F21-F46 AromaticContact CG-CZ 3.59Å; F21-F46 HydrophobicContact CG-CZ 3.59Å; A23-F46 HydrophobicContact CB-CD2 4.18Å; F46-K48 PolarHBondContact O-N 2.71Å; F46-D49 PolarHBondContact N-O 3.34Å; F46-D49 VanDerWaalsContact O-CB 3.28Å; F46-D49 WeakPolarHBondContact O-CB 3.27Å; F46-D49 PolarHBondContact O-N 3.02Å; F46-L51 HydrophobicContact CB-CD1 3.68Å; F46-L51 HydrophobicContact CB-CG 4.25Å; F46-L69 HydrophobicContact CD1-CD1 4.4Å
47	N	94	Very high	97.5	Very high	88 Å²	88	56.5 Å²	56.5	47%	0.471	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	41.1	-179.4	-164.4	40.8	0	0	0	113.6	F21 V22 D49	F21-N47 HydrophobicContact CD1-CB 4.04Å; V22-N47 PolarHBondContact O-N 3.5Å; N47-D49 PolarHBondContact O-N 2.72Å
48	K	95.6	Very high	97.5	Very high	195 Å²	195	60.8 Å²	60.8	85%	0.848	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	9.6	-173.6	-56.5	-174.9	173.1	-174.2	0	115.8	F46	F46-K48 PolarHBondContact O-N 2.71Å
49	D	96.4	Very high	97.4	Very high	49 Å²	49	58.5 Å²	58.5	26%	0.262	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.3	173.3	-159.3	-8.8	0	0	0	110.4	S45 F46 N47 L51 L69	S45-D49 CarbonylContact C-O 3.42Å; S45-D49 WeakPolarHBondContact CA-O 3.3Å; S45-D49 VanDerWaalsContact CB-O 3.24Å; S45-D49 WeakPolarHBondContact CB-O 3.47Å; F46-D49 PolarHBondContact N-O 3.34Å; F46-D49 VanDerWaalsContact O-CB 3.28Å; F46-D49 WeakPolarHBondContact O-CB 3.27Å; F46-D49 PolarHBondContact O-N 3.02Å; N47-D49 PolarHBondContact O-N 2.72Å; D49-L51 PolarHBondContact O-N 3.09Å; D49-L69 HydrophobicContact CB-CD1 4.17Å
50	L	98.3	Very high	97.4	Very high	75 Å²	75	58.6 Å²	58.6	39%	0.393	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	104.3	-174.2	178.3	64.5	0	0	0	109.7	C43 S45 C64 E65	C43-L50 HydrophobicContact CB-CD1 3.77Å; S45-L50 WeakPolarHBondContact OG-CD1 3.33Å; L50-C64 HydrophobicContact CD2-CB 4.29Å; L50-C64 HydrophobicContact CG-CB 4.19Å; L50-E65 VanDerWaalsContact O-CB 3.31Å; L50-E65 WeakPolarHBondContact O-CB 3.41Å; L50-E65 PolarHBondContact O-N 3.25Å
51	L	97.8	Very high	97.4	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-53.2	-170.5	-58.2	-174.8	0	0	0	112.9	I44 F46 D49 C64 E65 L69 V72 A73 I76	I44-L51 WeakPolarHBondContact O-CB 3.4Å; I44-L51 PolarHBondContact O-N 2.94Å; F46-L51 HydrophobicContact CB-CD1 3.68Å; F46-L51 HydrophobicContact CB-CG 4.25Å; D49-L51 PolarHBondContact O-N 3.09Å; L51-C64 PolarHBondContact O-N 3.32Å; L51-E65 HydrophobicContact CD2-CB 4.25Å; L51-E65 HydrophobicContact CD2-CG 4.31Å; L51-E65 PolarHBondContact O-N 2.89Å; L51-L69 HydrophobicContact CD2-CB 3.87Å; L51-L69 HydrophobicContact CD2-CD1 4.01Å; L51-V72 HydrophobicContact CD1-CG1 4.17Å; L51-A73 HydrophobicContact CB-CB 4.12Å; L51-A73 VanDerWaalsContact O-CB 3.31Å; L51-A73 WeakPolarHBondContact O-CB 3.31Å; L51-I76 HydrophobicContact CD1-CD1 3.69Å
52	T	98.6	Very high	97.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	146.1	-174.9	-179.5	0	0	0	0	112	C43 I44 M61 V62 I76 S77 L80	C43-T52 CarbonylContact C-O 3.55Å; C43-T52 VanDerWaalsContact CA-O 3.31Å; C43-T52 WeakPolarHBondContact CA-O 3.44Å; I44-T52 HydrophobicContact CB-CG2 4.11Å; I44-T52 HydrophobicContact CG1-CG2 4.48Å; I44-T52 PolarHBondContact N-O 2.93Å; I44-T52 PolarHBondContact O-N 3.37Å; T52-M61 HydrophobicContact CG2-CE 4.07Å; T52-V62 VanDerWaalsContact CA-O 3.28Å; T52-V62 WeakPolarHBondContact CA-O 3.31Å; T52-V62 WeakPolarHBondContact CB-O 3.07Å; T52-V62 PolarHBondContact OG1-N 3.46Å; T52-V62 PolarHBondContact OG1-O 3.48Å; T52-I76 HydrophobicContact CG2-CG2 3.88Å; T52-S77 WeakPolarHBondContact CB-OG 3.33Å; T52-S77 PolarHBondContact OG1-OG 2.93Å; T52-L80 HydrophobicContact CG2-CD1 4.36Å
53	C	98.7	Very high	97.4	Very high	24 Å²	24	57 Å²	57	16%	0.162	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154.9	176.8	-69.2	0	0	0	0	111.8	Y42 C43 M61 V62	Y42-C53 CarbonylContact O-C 3.55Å; Y42-C53 WeakPolarHBondContact O-CA 3.38Å; C43-C53 HydrophobicContact CB-CB 4.18Å; C43-C53 WeakPolarHBondContact CB-SG 3.28Å; C43-C53 WeakPolarHBondContact SG-CB 3.34Å; C43-C53 CovalentContact SG-SG 2.05Å; C43-C53 PolarHBondContact SG-SG 3.19Å; C53-M61 CarbonylContact O-C 3.58Å; C53-M61 WeakPolarHBondContact O-CA 3.46Å; C53-V62 PolarHBondContact N-O 3.23Å; C53-V62 PolarHBondContact O-N 2.89Å
54	W	98.6	Very high	97.3	Very high	17 Å²	17	58.6 Å²	58.6	6%	0.064	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	126.2	168.8	172	-106.2	0	0	0	110.3	Y42 N59 K60 M61 M87 L90 R91	Y42-W54 PolarHBondContact O-N 3.45Å; W54-N59 VanDerWaalsContact CH2-CA 3.47Å; W54-N59 HydrophobicContact CH2-CB 4.14Å; W54-N59 WeakPolarHBondContact CH2-O 3.24Å; W54-N59 WeakPolarHBondContact CZ3-O 3.44Å; W54-K60 VanDerWaalsContact CZ3-N 3.33Å; W54-M61 HydrophobicContact CB-SD 3.89Å; W54-M61 HydrophobicContact CE3-SD 4.24Å; W54-M87 HydrophobicContact CZ3-CE 4.31Å; W54-M87 HydrophobicContact CZ3-SD 3.77Å; W54-L90 HydrophobicContact CB-CD1 4.13Å; W54-L90 HydrophobicContact CD2-CB 3.58Å; W54-L90 HydrophobicContact CD2-CD1 3.83Å; W54-L90 HydrophobicContact CD2-CG 4.3Å; W54-L90 HydrophobicContact CE3-CB 3.73Å; W54-L90 HydrophobicContact CE3-CD1 3.47Å; W54-L90 VanDerWaalsContact CE3-CD1 3.47Å; W54-L90 HydrophobicContact CE3-CG 4.24Å; W54-L90 HydrophobicContact CG-CB 4.08Å; W54-L90 HydrophobicContact CG-CD1 4.11Å; W54-L90 HydrophobicContact CH2-CB 4.14Å; W54-L90 HydrophobicContact CZ2-CB 4.02Å; W54-L90 HydrophobicContact CZ3-CB 4Å; W54-L90 HydrophobicContact CZ3-CD1 4.15Å; W54-R91 HydrophobicContact CH2-CG 3.87Å; W54-R91 HydrophobicContact CZ2-CG 3.96Å
55	D	98.1	Very high	97.1	Very high	40 Å²	40	59.4 Å²	59.4	21%	0.214	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	112.9	170.5	-172.6	-36.1	0	0	0	108.8	E57 E58 N59 K60 V62	D55-E57 VanDerWaalsContact C-N 3.32Å; D55-E57 WeakPolarHBondContact OD1-CA 3.28Å; D55-E57 WeakPolarHBondContact OD1-CB 3.1Å; D55-E57 PolarHBondContact OD1-N 2.82Å; D55-E58 HydrophobicContact CB-CB 4.19Å; D55-E58 PolarHBondContact OD1-N 2.73Å; D55-N59 WeakPolarHBondContact O-CA 3.44Å; D55-N59 PolarHBondContact O-N 3.39Å; D55-K60 PolarHBondContact N-O 3.04Å; D55-K60 PolarHBondContact O-N 3.33Å; D55-V62 HydrophobicContact CB-CB 4.37Å; D55-V62 HydrophobicContact CB-CG2 3.57Å
56	P	96.3	Very high	96.9	Very high	78 Å²	78	66.1 Å²	66.1	51%	0.506	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-24.3	-179.9	29.1	-33.8	0	0	0	113.5	N59	P56-N59 PolarHBondContact O-ND2 3.02Å
57	E	96	Very high	96.9	Very high	176 Å²	176	64.7 Å²	64.7	82%	0.822	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-47.4	177.7	-58.9	-172.5	178	0	0	109.9	D55 N59	D55-E57 VanDerWaalsContact C-N 3.32Å; D55-E57 WeakPolarHBondContact OD1-CA 3.28Å; D55-E57 WeakPolarHBondContact OD1-CB 3.1Å; D55-E57 PolarHBondContact OD1-N 2.82Å; E57-N59 VanDerWaalsContact C-N 3.3Å; E57-N59 PolarHBondContact O-N 2.83Å; E57-N59 PolarHBondContact O-ND2 3.17Å
58	E	96.4	Very high	96.9	Very high	106 Å²	106	67 Å²	67	50%	0.495	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-9.1	178.6	-62.2	-162.1	-160.5	0	0	113.6	D55 K60	D55-E58 HydrophobicContact CB-CB 4.19Å; D55-E58 PolarHBondContact OD1-N 2.73Å; E58-K60 VanDerWaalsContact C-N 3.27Å; E58-K60 HydrophobicContact CB-CD 4.33Å; E58-K60 HydrophobicContact CB-CG 4.02Å; E58-K60 PolarHBondContact O-N 2.86Å; E58-K60 WeakPolarHBondContact OE2-CE 3.08Å; E58-K60 IonicContact OE2-NZ 2.6Å; E58-K60 PolarHBondContact OE2-NZ 3.3Å
59	N	96.9	Very high	96.9	Very high	71 Å²	71	59.8 Å²	59.8	38%	0.38	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	39.2	-178.5	-76.2	-86.2	0	0	0	113.8	W54 D55 P56 E57	W54-N59 VanDerWaalsContact CH2-CA 3.47Å; W54-N59 HydrophobicContact CH2-CB 4.14Å; W54-N59 WeakPolarHBondContact CH2-O 3.24Å; W54-N59 WeakPolarHBondContact CZ3-O 3.44Å; D55-N59 WeakPolarHBondContact O-CA 3.44Å; D55-N59 PolarHBondContact O-N 3.39Å; P56-N59 PolarHBondContact O-ND2 3.02Å; E57-N59 VanDerWaalsContact C-N 3.3Å; E57-N59 PolarHBondContact O-N 2.83Å; E57-N59 PolarHBondContact O-ND2 3.17Å
60	K	98.2	Very high	97	Very high	85 Å²	85	59.8 Å²	59.8	37%	0.37	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	165.8	-178.9	73.1	-173.4	-172.3	-156.4	0	111.8	W54 D55 E58 V62	W54-K60 VanDerWaalsContact CZ3-N 3.33Å; D55-K60 PolarHBondContact N-O 3.04Å; D55-K60 PolarHBondContact O-N 3.33Å; E58-K60 VanDerWaalsContact C-N 3.27Å; E58-K60 HydrophobicContact CB-CD 4.33Å; E58-K60 HydrophobicContact CB-CG 4.02Å; E58-K60 PolarHBondContact O-N 2.86Å; E58-K60 WeakPolarHBondContact OE2-CE 3.08Å; E58-K60 IonicContact OE2-NZ 2.6Å; E58-K60 PolarHBondContact OE2-NZ 3.3Å; K60-V62 HydrophobicContact CG-CG2 3.95Å
61	M	98.4	Very high	96.9	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.5	165.3	-57.6	-60.1	-62.5	0	0	109.6	Y42 T52 C53 W54 L80 N81 M87 L90	Y42-M61 HydrophobicContact CD1-CE 3.81Å; Y42-M61 HydrophobicContact CD1-SD 3.89Å; Y42-M61 HydrophobicContact CE1-CE 4.11Å; Y42-M61 HydrophobicContact CE1-SD 4.31Å; T52-M61 HydrophobicContact CG2-CE 4.07Å; C53-M61 CarbonylContact O-C 3.58Å; C53-M61 WeakPolarHBondContact O-CA 3.46Å; W54-M61 HydrophobicContact CB-SD 3.89Å; W54-M61 HydrophobicContact CE3-SD 4.24Å; M61-L80 HydrophobicContact CE-CD1 3.97Å; M61-L80 HydrophobicContact CG-CB 3.78Å; M61-L80 HydrophobicContact CG-CD1 3.96Å; M61-N81 WeakPolarHBondContact CB-OD1 3.48Å; M61-N81 PolarHBondContact N-OD1 3.32Å; M61-N81 PolarHBondContact O-ND2 3.41Å; M61-M87 HydrophobicContact CG-CE 4.09Å; M61-L90 HydrophobicContact SD-CD1 3.71Å
62	V	98.2	Very high	96.9	Very high	38 Å²	38	64 Å²	64	23%	0.23	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133	179.3	-179.1	0	0	0	0	109.1	T52 C53 D55 K60	T52-V62 VanDerWaalsContact CA-O 3.28Å; T52-V62 WeakPolarHBondContact CA-O 3.31Å; T52-V62 WeakPolarHBondContact CB-O 3.07Å; T52-V62 PolarHBondContact OG1-N 3.46Å; T52-V62 PolarHBondContact OG1-O 3.48Å; C53-V62 PolarHBondContact N-O 3.23Å; C53-V62 PolarHBondContact O-N 2.89Å; D55-V62 HydrophobicContact CB-CB 4.37Å; D55-V62 HydrophobicContact CB-CG2 3.57Å; K60-V62 HydrophobicContact CG-CG2 3.95Å
63	P	98	Very high	96.8	Very high	25 Å²	25	64 Å²	64	16%	0.162	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	137.3	173.8	-20.8	31.4	0	0	0	112	A73 N74 S77	P63-A73 HydrophobicContact CB-CB 4.12Å; P63-N74 WeakPolarHBondContact CG-OD1 3.33Å; P63-S77 WeakPolarHBondContact CG-OG 3.41Å
64	C	96.9	Very high	96.8	Very high	50 Å²	50	66.4 Å²	66.4	34%	0.338	37%	0.365	S	S	.	.			trans	-110.8	-25	177	-57	0	0	0	0	112.6	L50 L51 F66	L50-C64 HydrophobicContact CD2-CB 4.29Å; L50-C64 HydrophobicContact CG-CB 4.19Å; L51-C64 PolarHBondContact O-N 3.32Å; C64-F66 WeakPolarHBondContact O-CD2 3.3Å; C64-F66 WeakPolarHBondContact O-CE2 3.46Å
65	E	93.6	Very high	96.8	Very high	39 Å²	39	67.6 Å²	67.6	18%	0.182	38%	0.382	C	S	.	.			trans	-94.5	121.6	180	171.1	50.1	-154.4	0	0	111.4	L50 L51 G67 L69 N70 A73	L50-E65 VanDerWaalsContact O-CB 3.31Å; L50-E65 WeakPolarHBondContact O-CB 3.41Å; L50-E65 PolarHBondContact O-N 3.25Å; L51-E65 HydrophobicContact CD2-CB 4.25Å; L51-E65 HydrophobicContact CD2-CG 4.31Å; L51-E65 PolarHBondContact O-N 2.89Å; E65-G67 WeakPolarHBondContact OE1-CA 3.46Å; E65-G67 PolarHBondContact OE1-N 2.9Å; E65-L69 HydrophobicContact CG-CB 3.97Å; E65-N70 WeakPolarHBondContact O-CA 3.35Å; E65-N70 WeakPolarHBondContact O-CB 3.31Å; E65-N70 PolarHBondContact O-OD1 3.36Å; E65-A73 HydrophobicContact CB-CB 4.43Å
66	F	94.4	Very high	96.7	Very high	156 Å²	156	68 Å²	68	68%	0.684	38%	0.384	S	S	*	.			trans	-113.6	2.3	-175.3	-59.4	-72.8	0	0	0	113.8	C64	C64-F66 WeakPolarHBondContact O-CD2 3.3Å; C64-F66 WeakPolarHBondContact O-CE2 3.46Å
67	G	95	Very high	96.8	Very high	44 Å²	44	64.4 Å²	64.4	45%	0.454	36%	0.361	S	S	.	.	S	Bend	trans	-89.6	-134.7	176.7	0	0	0	0	0	113.1	E65 L69 N70	E65-G67 WeakPolarHBondContact OE1-CA 3.46Å; E65-G67 PolarHBondContact OE1-N 2.9Å; G67-L69 VanDerWaalsContact C-N 3.27Å; G67-L69 PolarHBondContact O-N 2.84Å; G67-N70 VanDerWaalsContact O-CB 3.25Å; G67-N70 WeakPolarHBondContact O-CB 3.32Å; G67-N70 PolarHBondContact O-N 2.82Å
68	V	95.3	Very high	96.9	Very high	136 Å²	136	61.5 Å²	61.5	82%	0.824	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-34.6	-170.7	177.8	0	0	0	0	111.8	N70	V68-N70 VanDerWaalsContact C-N 3.35Å
69	L	95.9	Very high	97	Very high	44 Å²	44	63.3 Å²	63.3	23%	0.23	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	6.4	-177.9	-61.3	-176.9	0	0	0	113.3	F46 D49 L51 E65 G67 P71 V72 A73	F46-L69 HydrophobicContact CD1-CD1 4.4Å; D49-L69 HydrophobicContact CB-CD1 4.17Å; L51-L69 HydrophobicContact CD2-CB 3.87Å; L51-L69 HydrophobicContact CD2-CD1 4.01Å; E65-L69 HydrophobicContact CG-CB 3.97Å; G67-L69 VanDerWaalsContact C-N 3.27Å; G67-L69 PolarHBondContact O-N 2.84Å; L69-P71 VanDerWaalsContact C-CD 3.47Å; L69-P71 VanDerWaalsContact C-N 3.35Å; L69-V72 HydrophobicContact CD2-CG2 4.35Å; L69-V72 CarbonylContact O-C 3.59Å; L69-V72 WeakPolarHBondContact O-CA 3.36Å; L69-V72 WeakPolarHBondContact O-CB 3.39Å; L69-V72 PolarHBondContact O-N 3.27Å; L69-A73 PolarHBondContact O-N 3.34Å
70	N	97.1	Very high	97	Very high	48 Å²	48	60.7 Å²	60.7	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-51.8	-42.8	177.2	179	51.9	0	0	0	114	E65 G67 V68 V72 A73 N74	E65-N70 WeakPolarHBondContact O-CA 3.35Å; E65-N70 WeakPolarHBondContact O-CB 3.31Å; E65-N70 PolarHBondContact O-OD1 3.36Å; G67-N70 VanDerWaalsContact O-CB 3.25Å; G67-N70 WeakPolarHBondContact O-CB 3.32Å; G67-N70 PolarHBondContact O-N 2.82Å; V68-N70 VanDerWaalsContact C-N 3.35Å; N70-V72 VanDerWaalsContact C-N 3.27Å; N70-V72 PolarHBondContact O-N 2.98Å; N70-A73 PolarHBondContact O-N 2.05Å; N70-N74 PolarHBondContact O-N 2.79Å; N70-N74 PolarHBondContact O-ND2 3.07Å; N70-N74 PolarHBondContact OD1-ND2 2.95Å
71	P	97.6	Very high	97.1	Very high	96 Å²	96	59 Å²	59	62%	0.623	33%	0.332	S	S	*	.	H	α-helix	trans	-61.5	-35.5	175.3	-23.2	35	0	0	0	113.1	L69 G75	L69-P71 VanDerWaalsContact C-CD 3.47Å; L69-P71 VanDerWaalsContact C-N 3.35Å; P71-G75 PolarHBondContact O-N 3.12Å
72	V	95.9	Very high	97	Very high	70 Å²	70	64.7 Å²	64.7	42%	0.424	36%	0.358	S	S	.	.	H	α-helix	trans	-70.9	-45.3	177.4	-178.6	0	0	0	0	110.2	L51 L69 N70 N74 G75 I76	L51-V72 HydrophobicContact CD1-CG1 4.17Å; L69-V72 HydrophobicContact CD2-CG2 4.35Å; L69-V72 CarbonylContact O-C 3.59Å; L69-V72 WeakPolarHBondContact O-CA 3.36Å; L69-V72 WeakPolarHBondContact O-CB 3.39Å; L69-V72 PolarHBondContact O-N 3.27Å; N70-V72 VanDerWaalsContact C-N 3.27Å; N70-V72 PolarHBondContact O-N 2.98Å; V72-N74 PolarHBondContact O-N 3.43Å; V72-G75 PolarHBondContact O-N 3.32Å; V72-I76 HydrophobicContact CG1-CD1 3.81Å; V72-I76 HydrophobicContact CG1-CG1 4.37Å; V72-I76 WeakPolarHBondContact O-CG1 3.12Å; V72-I76 PolarHBondContact O-N 3.19Å
73	A	97.8	Very high	97	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-55.3	-52.4	175.7	0	0	0	0	0	111.3	L51 P63 E65 L69 N70 G75 I76 S77	L51-A73 HydrophobicContact CB-CB 4.12Å; L51-A73 VanDerWaalsContact O-CB 3.31Å; L51-A73 WeakPolarHBondContact O-CB 3.31Å; P63-A73 HydrophobicContact CB-CB 4.12Å; E65-A73 HydrophobicContact CB-CB 4.43Å; L69-A73 PolarHBondContact O-N 3.34Å; N70-A73 PolarHBondContact O-N 2.05Å; A73-G75 PolarHBondContact O-N 3.36Å; A73-I76 PolarHBondContact O-N 3.49Å; A73-S77 PolarHBondContact O-N 3.25Å; A73-S77 PolarHBondContact O-OG 2.96Å
74	N	98.1	Very high	97	Very high	73 Å²	73	71.1 Å²	71.1	39%	0.39	39%	0.388	S	S	.	.	H	α-helix	trans	-59	-43.8	176.5	-77	-76.7	0	0	0	112.8	P63 N70 V72 I76 S77 H78	P63-N74 WeakPolarHBondContact CG-OD1 3.33Å; N70-N74 PolarHBondContact O-N 2.79Å; N70-N74 PolarHBondContact O-ND2 3.07Å; N70-N74 PolarHBondContact OD1-ND2 2.95Å; V72-N74 PolarHBondContact O-N 3.43Å; N74-I76 PolarHBondContact O-N 3.48Å; N74-S77 PolarHBondContact O-N 3.43Å; N74-H78 VanDerWaalsContact O-CB 3.3Å; N74-H78 WeakPolarHBondContact O-CB 3.4Å; N74-H78 PolarHBondContact O-N 2.77Å
75	G	97.8	Very high	97	Very high	42 Å²	42	74.2 Å²	74.2	43%	0.433	41%	0.405	S	S	.	.	H	α-helix	trans	-61.2	-43.6	178.3	0	0	0	0	0	112.6	P71 V72 A73 Y79	P71-G75 PolarHBondContact O-N 3.12Å; V72-G75 PolarHBondContact O-N 3.32Å; A73-G75 PolarHBondContact O-N 3.36Å; G75-Y79 WeakPolarHBondContact O-CB 3.37Å; G75-Y79 PolarHBondContact O-N 3.44Å
76	I	97.4	Very high	97.2	Very high	48 Å²	48	73.3 Å²	73.3	25%	0.246	40%	0.401	C	S	.	.	H	α-helix	trans	-67.4	-49	177	-68.3	173.9	0	0	0	110.6	I44 L51 T52 V72 A73 N74 H78 Y79 L80	I44-I76 HydrophobicContact CD1-CG2 4.04Å; L51-I76 HydrophobicContact CD1-CD1 3.69Å; T52-I76 HydrophobicContact CG2-CG2 3.88Å; V72-I76 HydrophobicContact CG1-CD1 3.81Å; V72-I76 HydrophobicContact CG1-CG1 4.37Å; V72-I76 WeakPolarHBondContact O-CG1 3.12Å; V72-I76 PolarHBondContact O-N 3.19Å; A73-I76 PolarHBondContact O-N 3.49Å; N74-I76 PolarHBondContact O-N 3.48Å; I76-H78 VanDerWaalsContact C-N 3.3Å; I76-H78 PolarHBondContact O-N 2.81Å; I76-Y79 PolarHBondContact O-N 3.5Å; I76-L80 HydrophobicContact CG2-CD1 3.7Å; I76-L80 HydrophobicContact CG2-CG 4.17Å; I76-L80 VanDerWaalsContact O-CG 3.27Å; I76-L80 WeakPolarHBondContact O-CG 3.34Å; I76-L80 PolarHBondContact O-N 3.39Å
77	S	98.3	Very high	97.3	Very high	4 Å²	4	66.3 Å²	66.3	3%	0.028	37%	0.371	C	S	.	.	H	α-helix	trans	-55	-47.7	177.9	-55.5	0	0	0	0	111.1	T52 P63 A73 N74 L80 N81	T52-S77 WeakPolarHBondContact CB-OG 3.33Å; T52-S77 PolarHBondContact OG1-OG 2.93Å; P63-S77 WeakPolarHBondContact CG-OG 3.41Å; A73-S77 PolarHBondContact O-N 3.25Å; A73-S77 PolarHBondContact O-OG 2.96Å; N74-S77 PolarHBondContact O-N 3.43Å; S77-L80 PolarHBondContact O-N 2.95Å; S77-N81 WeakPolarHBondContact O-CB 3.38Å; S77-N81 PolarHBondContact O-N 2.97Å; S77-N81 PolarHBondContact O-ND2 3.09Å; S77-N81 VanDerWaalsContact O-ND2 3.09Å
78	H	98.3	Very high	97.5	Very high	114 Å²	114	69.1 Å²	69.1	53%	0.528	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-46.7	177.9	176.6	-93.9	0	0	0	112.2	N74 I76 L80 N81 Q82	N74-H78 VanDerWaalsContact O-CB 3.3Å; N74-H78 WeakPolarHBondContact O-CB 3.4Å; N74-H78 PolarHBondContact O-N 2.77Å; I76-H78 VanDerWaalsContact C-N 3.3Å; I76-H78 PolarHBondContact O-N 2.81Å; H78-L80 PolarHBondContact O-N 2.99Å; H78-N81 PolarHBondContact O-N 2.95Å; H78-Q82 PolarHBondContact CE1-NE2 2.96Å; H78-Q82 PolarHBondContact NE2-NE2 2.93Å; H78-Q82 WeakPolarHBondContact O-CG 3.43Å; H78-Q82 PolarHBondContact O-N 2.86Å
79	Y	98	Very high	97.6	Very high	144 Å²	144	68.6 Å²	68.6	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-59.6	-44.4	177.7	175	-97.8	0	0	0	112.4	G75 I76 Q82	G75-Y79 WeakPolarHBondContact O-CB 3.37Å; G75-Y79 PolarHBondContact O-N 3.44Å; I76-Y79 PolarHBondContact O-N 3.5Å; Y79-Q82 PolarHBondContact O-N 3.1Å
80	L	97.9	Very high	97.7	Very high	17 Å²	17	66.6 Å²	66.6	9%	0.089	35%	0.345	C	S	.	.	H	α-helix	trans	-68.1	-37.5	179.3	-64.6	171.4	0	0	0	112.1	I44 T52 M61 I76 S77 H78 Q82 Q83 L86 M87	I44-L80 HydrophobicContact CD1-CD1 3.48Å; I44-L80 VanDerWaalsContact CD1-CD1 3.48Å; I44-L80 HydrophobicContact CD1-CD2 4.29Å; I44-L80 HydrophobicContact CD1-CG 4.44Å; I44-L80 HydrophobicContact CG1-CD1 4.24Å; T52-L80 HydrophobicContact CG2-CD1 4.36Å; M61-L80 HydrophobicContact CE-CD1 3.97Å; M61-L80 HydrophobicContact CG-CB 3.78Å; M61-L80 HydrophobicContact CG-CD1 3.96Å; I76-L80 HydrophobicContact CG2-CD1 3.7Å; I76-L80 HydrophobicContact CG2-CG 4.17Å; I76-L80 VanDerWaalsContact O-CG 3.27Å; I76-L80 WeakPolarHBondContact O-CG 3.34Å; I76-L80 PolarHBondContact O-N 3.39Å; S77-L80 PolarHBondContact O-N 2.95Å; H78-L80 PolarHBondContact O-N 2.99Å; L80-Q82 PolarHBondContact O-N 3.01Å; L80-Q83 WeakPolarHBondContact O-CB 3.47Å; L80-Q83 PolarHBondContact O-N 3.07Å; L80-L86 HydrophobicContact CB-CD2 3.96Å; L80-L86 HydrophobicContact CD2-CD2 3.67Å; L80-L86 HydrophobicContact CG-CD2 4.3Å; L80-M87 WeakPolarHBondContact O-CE 3.05Å
81	N	98.4	Very high	97.7	Very high	50 Å²	50	70.1 Å²	70.1	27%	0.267	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-18.4	178.3	-72.5	-22	0	0	0	113.3	M61 S77 H78 Q83	M61-N81 WeakPolarHBondContact CB-OD1 3.48Å; M61-N81 PolarHBondContact N-OD1 3.32Å; M61-N81 PolarHBondContact O-ND2 3.41Å; S77-N81 WeakPolarHBondContact O-CB 3.38Å; S77-N81 PolarHBondContact O-N 2.97Å; S77-N81 PolarHBondContact O-ND2 3.09Å; S77-N81 VanDerWaalsContact O-ND2 3.09Å; H78-N81 PolarHBondContact O-N 2.95Å; N81-Q83 VanDerWaalsContact C-N 3.34Å
82	Q	97.8	Very high	97.7	Very high	121 Å²	121	69.5 Å²	69.5	57%	0.565	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-3.7	173.7	-65.5	-178.4	-12.7	0	0	113.5	H78 Y79 L80	H78-Q82 PolarHBondContact CE1-NE2 2.96Å; H78-Q82 PolarHBondContact NE2-NE2 2.93Å; H78-Q82 WeakPolarHBondContact O-CG 3.43Å; H78-Q82 PolarHBondContact O-N 2.86Å; Y79-Q82 PolarHBondContact O-N 3.1Å; L80-Q82 PolarHBondContact O-N 3.01Å
83	Q	97.9	Very high	97.8	Very high	69 Å²	69	66.2 Å²	66.2	32%	0.322	33%	0.327	S	S	.	.			trans	-95	96.1	-178.1	-60.5	-64.1	-34.3	0	0	111	L80 N81 T85 L86 M87	L80-Q83 WeakPolarHBondContact O-CB 3.47Å; L80-Q83 PolarHBondContact O-N 3.07Å; N81-Q83 VanDerWaalsContact C-N 3.34Å; Q83-T85 VanDerWaalsContact C-N 3.3Å; Q83-T85 PolarHBondContact O-N 3.34Å; Q83-L86 HydrophobicContact CB-CB 3.89Å; Q83-L86 PolarHBondContact O-N 2.92Å; Q83-L86 VanDerWaalsContact O-N 3.12Å; Q83-M87 WeakPolarHBondContact O-CG 3.38Å; Q83-M87 PolarHBondContact O-N 3.35Å
84	D	96.9	Very high	97.8	Very high	129 Å²	129	70.3 Å²	70.3	69%	0.69	35%	0.348	S	S	*	.	H	α-helix	trans	-55.5	-42.2	-176.8	-71.4	-35.5	0	0	0	113.5	L86 M87 Q88	D84-L86 VanDerWaalsContact C-N 3.33Å; D84-L86 PolarHBondContact O-N 3.43Å; D84-M87 PolarHBondContact O-N 3.22Å; D84-Q88 WeakPolarHBondContact O-CB 2.86Å; D84-Q88 VanDerWaalsContact O-CG 3.3Å; D84-Q88 WeakPolarHBondContact O-CG 3.42Å; D84-Q88 PolarHBondContact O-N 3.31Å
85	T	97.6	Very high	97.8	Very high	115 Å²	115	72.4 Å²	72.4	71%	0.706	36%	0.355	S	S	*	.	H	α-helix	trans	-63.6	-39.7	-179.7	55.4	0	0	0	0	111.9	Q83 R89	Q83-T85 VanDerWaalsContact C-N 3.3Å; Q83-T85 PolarHBondContact O-N 3.34Å; T85-R89 WeakPolarHBondContact O-CB 3.36Å; T85-R89 PolarHBondContact O-N 2.99Å; T85-R89 VanDerWaalsContact O-N 3.07Å
86	L	97.4	Very high	97.8	Very high	20 Å²	20	73.8 Å²	73.8	11%	0.105	35%	0.353	C	S	.	.	H	α-helix	trans	-68.2	-49.2	175.9	178.6	63.7	0	0	0	110.4	Y42 L80 Q83 D84 Q88 R89 L90	Y42-L86 HydrophobicContact CE1-CD1 4.18Å; L80-L86 HydrophobicContact CB-CD2 3.96Å; L80-L86 HydrophobicContact CD2-CD2 3.67Å; L80-L86 HydrophobicContact CG-CD2 4.3Å; Q83-L86 HydrophobicContact CB-CB 3.89Å; Q83-L86 PolarHBondContact O-N 2.92Å; Q83-L86 VanDerWaalsContact O-N 3.12Å; D84-L86 VanDerWaalsContact C-N 3.33Å; D84-L86 PolarHBondContact O-N 3.43Å; L86-Q88 VanDerWaalsContact C-N 3.28Å; L86-Q88 PolarHBondContact O-N 3.31Å; L86-R89 WeakPolarHBondContact O-CA 3Å; L86-R89 WeakPolarHBondContact O-CB 3.45Å; L86-R89 PolarHBondContact O-N 2.93Å; L86-L90 HydrophobicContact CD1-CD1 4.04Å; L86-L90 HydrophobicContact CD1-CD2 4.21Å; L86-L90 HydrophobicContact CD1-CG 3.99Å; L86-L90 HydrophobicContact CG-CD1 3.97Å; L86-L90 HydrophobicContact CG-CG 4.26Å; L86-L90 WeakPolarHBondContact O-CG 3.41Å; L86-L90 PolarHBondContact O-N 3.17Å
87	M	97.9	Very high	97.8	Very high	9 Å²	9	71.7 Å²	71.7	4%	0.044	34%	0.342	C	S	.	.	H	α-helix	trans	-58.6	-41.5	-179.4	-64.3	-58.3	93.7	0	0	111.5	W54 M61 L80 Q83 D84 L90 R91	W54-M87 HydrophobicContact CZ3-CE 4.31Å; W54-M87 HydrophobicContact CZ3-SD 3.77Å; M61-M87 HydrophobicContact CG-CE 4.09Å; L80-M87 WeakPolarHBondContact O-CE 3.05Å; Q83-M87 WeakPolarHBondContact O-CG 3.38Å; Q83-M87 PolarHBondContact O-N 3.35Å; D84-M87 PolarHBondContact O-N 3.22Å; M87-L90 HydrophobicContact CE-CD1 3.88Å; M87-L90 PolarHBondContact O-N 2.84Å; M87-R91 VanDerWaalsContact O-CG 3.31Å; M87-R91 WeakPolarHBondContact O-CG 3.23Å; M87-R91 PolarHBondContact O-N 3.17Å
88	Q	97.6	Very high	97.7	Very high	102 Å²	102	73.7 Å²	73.7	48%	0.477	36%	0.355	S	S	.	.	H	α-helix	trans	-65.1	-38.5	173.8	-69.9	-65.3	-12.7	0	0	112.8	D84 L86 R91 N92	D84-Q88 WeakPolarHBondContact O-CB 2.86Å; D84-Q88 VanDerWaalsContact O-CG 3.3Å; D84-Q88 WeakPolarHBondContact O-CG 3.42Å; D84-Q88 PolarHBondContact O-N 3.31Å; L86-Q88 VanDerWaalsContact C-N 3.28Å; L86-Q88 PolarHBondContact O-N 3.31Å; Q88-R91 VanDerWaalsContact NE2-NH1 3.19Å; Q88-N92 PolarHBondContact O-N 3Å; Q88-N92 PolarHBondContact O-ND2 3.35Å
89	R	97.8	Very high	97.7	Very high	126 Å²	126	72.4 Å²	72.4	48%	0.475	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-42.7	176.2	-172.5	-176.6	76.3	165.2	3.2	112	T85 L86 N92 G93 N96	T85-R89 WeakPolarHBondContact O-CB 3.36Å; T85-R89 PolarHBondContact O-N 2.99Å; T85-R89 VanDerWaalsContact O-N 3.07Å; L86-R89 WeakPolarHBondContact O-CA 3Å; L86-R89 WeakPolarHBondContact O-CB 3.45Å; L86-R89 PolarHBondContact O-N 2.93Å; R89-N92 CarbonylContact O-C 3.55Å; R89-N92 PolarHBondContact O-N 3.34Å; R89-G93 PolarHBondContact O-N 3.01Å; R89-N96 PolarHBondContact O-ND2 3.37Å; R89-N96 VanDerWaalsContact O-ND2 3.1Å
90	L	98.1	Very high	97.7	Very high	2 Å²	2	72.2 Å²	72.2	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-72.7	-38.3	-177.1	-60.9	-179.4	0	0	0	112.3	F40 Y42 W54 M61 L86 M87 N92 G93	F40-L90 HydrophobicContact CE1-CB 4.43Å; F40-L90 HydrophobicContact CE1-CD2 3.93Å; F40-L90 HydrophobicContact CZ-CD2 3.79Å; Y42-L90 HydrophobicContact CD1-CD1 3.77Å; Y42-L90 HydrophobicContact CD1-CD2 3.75Å; Y42-L90 HydrophobicContact CD1-CG 4.42Å; Y42-L90 HydrophobicContact CD2-CD2 3.85Å; Y42-L90 HydrophobicContact CE1-CD1 4.27Å; Y42-L90 HydrophobicContact CE1-CD2 4.39Å; Y42-L90 HydrophobicContact CG-CD1 4.3Å; Y42-L90 HydrophobicContact CG-CD2 3.43Å; Y42-L90 VanDerWaalsContact CG-CD2 3.43Å; W54-L90 HydrophobicContact CB-CD1 4.13Å; W54-L90 HydrophobicContact CD2-CB 3.58Å; W54-L90 HydrophobicContact CD2-CD1 3.83Å; W54-L90 HydrophobicContact CD2-CG 4.3Å; W54-L90 HydrophobicContact CE3-CB 3.73Å; W54-L90 HydrophobicContact CE3-CD1 3.47Å; W54-L90 VanDerWaalsContact CE3-CD1 3.47Å; W54-L90 HydrophobicContact CE3-CG 4.24Å; W54-L90 HydrophobicContact CG-CB 4.08Å; W54-L90 HydrophobicContact CG-CD1 4.11Å; W54-L90 HydrophobicContact CH2-CB 4.14Å; W54-L90 HydrophobicContact CZ2-CB 4.02Å; W54-L90 HydrophobicContact CZ3-CB 4Å; W54-L90 HydrophobicContact CZ3-CD1 4.15Å; M61-L90 HydrophobicContact SD-CD1 3.71Å; L86-L90 HydrophobicContact CD1-CD1 4.04Å; L86-L90 HydrophobicContact CD1-CD2 4.21Å; L86-L90 HydrophobicContact CD1-CG 3.99Å; L86-L90 HydrophobicContact CG-CD1 3.97Å; L86-L90 HydrophobicContact CG-CG 4.26Å; L86-L90 WeakPolarHBondContact O-CG 3.41Å; L86-L90 PolarHBondContact O-N 3.17Å; M87-L90 HydrophobicContact CE-CD1 3.88Å; M87-L90 PolarHBondContact O-N 2.84Å; L90-N92 PolarHBondContact O-N 2.03Å; L90-G93 WeakPolarHBondContact O-CA 3.47Å; L90-G93 PolarHBondContact O-N 3.32Å
91	R	97.6	Very high	97.7	Very high	121 Å²	121	72 Å²	72	46%	0.457	36%	0.358	S	S	.	.	H	α-helix	trans	-56.7	-38.5	171.2	-74.3	176	-171.4	145.8	5.8	112.6	W54 M87 Q88 G93	W54-R91 HydrophobicContact CH2-CG 3.87Å; W54-R91 HydrophobicContact CZ2-CG 3.96Å; M87-R91 VanDerWaalsContact O-CG 3.31Å; M87-R91 WeakPolarHBondContact O-CG 3.23Å; M87-R91 PolarHBondContact O-N 3.17Å; Q88-R91 VanDerWaalsContact NE2-NH1 3.19Å; R91-G93 PolarHBondContact O-N 2.86Å
92	N	97.8	Very high	97.6	Very high	84 Å²	84	76.5 Å²	76.5	45%	0.449	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	12.4	176.7	-65.5	-46.4	0	0	0	113	Q88 R89 L90 L94 Q95 N96	Q88-N92 PolarHBondContact O-N 3Å; Q88-N92 PolarHBondContact O-ND2 3.35Å; R89-N92 CarbonylContact O-C 3.55Å; R89-N92 PolarHBondContact O-N 3.34Å; L90-N92 PolarHBondContact O-N 2.03Å; N92-L94 PolarHBondContact O-N 3.49Å; N92-Q95 PolarHBondContact O-N 2.76Å; N92-N96 WeakPolarHBondContact O-CB 3.38Å; N92-N96 PolarHBondContact O-N 3.19Å; N92-N96 PolarHBondContact O-ND2 3.21Å
93	G	97.5	Very high	97.6	Very high	1 Å²	1	75.1 Å²	75.1	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-52.7	-50.9	-171.3	0	0	0	0	0	113.9	R89 L90 R91 Q95 N96 C97	R89-G93 PolarHBondContact O-N 3.01Å; L90-G93 WeakPolarHBondContact O-CA 3.47Å; L90-G93 PolarHBondContact O-N 3.32Å; R91-G93 PolarHBondContact O-N 2.86Å; G93-Q95 PolarHBondContact O-N 3.48Å; G93-N96 WeakPolarHBondContact O-CB 3.43Å; G93-N96 PolarHBondContact O-N 2.77Å; G93-C97 PolarHBondContact O-N 3.24Å; G93-C97 PolarHBondContact O-SG 3.19Å
94	L	97.6	Very high	97.6	Very high	85 Å²	85	75.7 Å²	75.7	45%	0.445	38%	0.381	S	S	.	.	H	α-helix	trans	-59.7	-46	178.2	-68.9	171.7	0	0	0	112.6	A37 F40 N92 N96 C97 T98	A37-L94 HydrophobicContact CB-CB 4.27Å; A37-L94 HydrophobicContact CB-CD2 3.89Å; A37-L94 WeakPolarHBondContact CB-O 3.34Å; F40-L94 HydrophobicContact CB-CD2 3.86Å; F40-L94 HydrophobicContact CB-CG 4.24Å; N92-L94 PolarHBondContact O-N 3.49Å; L94-N96 VanDerWaalsContact C-N 3.34Å; L94-N96 PolarHBondContact O-N 2.69Å; L94-C97 WeakPolarHBondContact O-CB 3.5Å; L94-C97 PolarHBondContact O-N 3.13Å; L94-T98 PolarHBondContact O-N 3.23Å; L94-T98 PolarHBondContact O-OG1 3.22Å
95	Q	97.7	Very high	97.6	Very high	118 Å²	118	72.3 Å²	72.3	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-64.4	-41.4	177.4	-178.3	58.7	47.3	0	0	111.3	N92 G93 C97 T98 T99	N92-Q95 PolarHBondContact O-N 2.76Å; G93-Q95 PolarHBondContact O-N 3.48Å; Q95-C97 VanDerWaalsContact C-N 3.33Å; Q95-C97 PolarHBondContact O-N 2.95Å; Q95-T98 PolarHBondContact O-N 2.92Å; Q95-T99 PolarHBondContact NE2-OG1 3.1Å; Q95-T99 VanDerWaalsContact NE2-OG1 3.13Å; Q95-T99 WeakPolarHBondContact O-CB 3.46Å; Q95-T99 PolarHBondContact O-N 3.33Å; Q95-T99 PolarHBondContact O-OG1 3.45Å
96	N	97.6	Very high	97.6	Very high	70 Å²	70	68.6 Å²	68.6	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-62.5	-40.3	177	-71.2	-27.7	0	0	0	111.4	R89 N92 G93 L94 T99 H100	R89-N96 PolarHBondContact O-ND2 3.37Å; R89-N96 VanDerWaalsContact O-ND2 3.1Å; N92-N96 WeakPolarHBondContact O-CB 3.38Å; N92-N96 PolarHBondContact O-N 3.19Å; N92-N96 PolarHBondContact O-ND2 3.21Å; G93-N96 WeakPolarHBondContact O-CB 3.43Å; G93-N96 PolarHBondContact O-N 2.77Å; L94-N96 VanDerWaalsContact C-N 3.34Å; L94-N96 PolarHBondContact O-N 2.69Å; N96-T99 PolarHBondContact O-N 3.09Å; N96-H100 WeakPolarHBondContact O-CB 3.25Å; N96-H100 PolarHBondContact O-N 3.34Å
97	C	97.9	Very high	97.5	Very high	4 Å²	4	72 Å²	72	3%	0.027	37%	0.368	C	S	.	.	H	α-helix	trans	-56.1	-55.1	174.1	-67.8	0	0	0	0	110.7	C29 A37 G93 L94 Q95 T99 H100 T101	C29-C97 HydrophobicContact CB-CB 3.62Å; C29-C97 WeakPolarHBondContact CB-SG 3.37Å; C29-C97 WeakPolarHBondContact SG-CB 3.5Å; C29-C97 CovalentContact SG-SG 2.03Å; C29-C97 PolarHBondContact SG-SG 3.33Å; A37-C97 HydrophobicContact CB-CB 3.97Å; G93-C97 PolarHBondContact O-N 3.24Å; G93-C97 PolarHBondContact O-SG 3.19Å; L94-C97 WeakPolarHBondContact O-CB 3.5Å; L94-C97 PolarHBondContact O-N 3.13Å; Q95-C97 VanDerWaalsContact C-N 3.33Å; Q95-C97 PolarHBondContact O-N 2.95Å; C97-T99 PolarHBondContact O-N 3.19Å; C97-H100 PolarHBondContact O-N 3.45Å; C97-T101 WeakPolarHBondContact O-CG2 3.11Å; C97-T101 PolarHBondContact O-N 2.82Å; C97-T101 PolarHBondContact O-OG1 2.89Å
98	T	97.1	Very high	97.5	Very high	47 Å²	47	74 Å²	74	29%	0.288	38%	0.379	S	S	.	.	H	α-helix	trans	-58.2	-49.5	179.9	-56.7	0	0	0	0	111.6	L94 Q95 H100 T101 Q102	L94-T98 PolarHBondContact O-N 3.23Å; L94-T98 PolarHBondContact O-OG1 3.22Å; Q95-T98 PolarHBondContact O-N 2.92Å; T98-H100 PolarHBondContact O-N 3.4Å; T98-T101 PolarHBondContact O-OG1 3.3Å; T98-Q102 WeakPolarHBondContact O-CB 3.43Å; T98-Q102 PolarHBondContact O-N 3.48Å
99	T	97.9	Very high	97.4	Very high	87 Å²	87	71.3 Å²	71.3	53%	0.534	37%	0.369	S	S	.	.	H	α-helix	trans	-64.8	-39.3	-178.5	-63.1	0	0	0	0	112.2	Q95 N96 C97	Q95-T99 PolarHBondContact NE2-OG1 3.1Å; Q95-T99 VanDerWaalsContact NE2-OG1 3.13Å; Q95-T99 WeakPolarHBondContact O-CB 3.46Å; Q95-T99 PolarHBondContact O-N 3.33Å; Q95-T99 PolarHBondContact O-OG1 3.45Å; N96-T99 PolarHBondContact O-N 3.09Å; C97-T99 PolarHBondContact O-N 3.19Å
100	H	97.6	Very high	97.3	Very high	140 Å²	140	72.3 Å²	72.3	65%	0.648	38%	0.379	S	S	*	.	H	α-helix	trans	-71.9	-38.4	-178.3	-177.3	-75.3	0	0	0	112.6	N96 C97 T98 P103	N96-H100 WeakPolarHBondContact O-CB 3.25Å; N96-H100 PolarHBondContact O-N 3.34Å; C97-H100 PolarHBondContact O-N 3.45Å; T98-H100 PolarHBondContact O-N 3.4Å; H100-P103 WeakPolarHBondContact O-CD 3.47Å
101	T	97.8	Very high	97.3	Very high	13 Å²	13	75.9 Å²	75.9	8%	0.08	39%	0.392	C	S	.	.	H	α-helix	trans	-84.7	-21.9	-177.6	60.1	0	0	0	0	113.4	L31 C97 T98 P103 F104 W105	L31-T101 HydrophobicContact CD1-CG2 4.35Å; L31-T101 HydrophobicContact CD2-CG2 4.26Å; L31-T101 VanDerWaalsContact CD2-OG1 3.25Å; L31-T101 WeakPolarHBondContact CD2-OG1 3.39Å; C97-T101 WeakPolarHBondContact O-CG2 3.11Å; C97-T101 PolarHBondContact O-N 2.82Å; C97-T101 PolarHBondContact O-OG1 2.89Å; T98-T101 PolarHBondContact O-OG1 3.3Å; T101-P103 VanDerWaalsContact C-N 3.33Å; T101-P103 WeakPolarHBondContact O-CD 3.42Å; T101-P103 VanDerWaalsContact O-N 3.07Å; T101-F104 HydrophobicContact CG2-CE2 4.22Å; T101-F104 HydrophobicContact CG2-CZ 4.06Å; T101-F104 PolarHBondContact O-N 2.97Å; T101-W105 HydrophobicContact CG2-CE3 4.07Å; T101-W105 HydrophobicContact CG2-CZ3 4.42Å; T101-W105 WeakPolarHBondContact O-CB 3.17Å; T101-W105 PolarHBondContact O-N 3.45Å
102	Q	96.9	Very high	97.3	Very high	143 Å²	143	72.4 Å²	72.4	67%	0.668	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.2	-49.5	-179.3	-166.1	-76.1	-50.4	0	0	115.2	T98 F104	T98-Q102 WeakPolarHBondContact O-CB 3.43Å; T98-Q102 PolarHBondContact O-N 3.48Å; Q102-F104 PolarHBondContact O-N 3.02Å
103	P	97.8	Very high	97.3	Very high	93 Å²	93	74.9 Å²	74.9	60%	0.604	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.3	-174.2	23.4	-34.7	0	0	0	114.8	H100 T101	H100-P103 WeakPolarHBondContact O-CD 3.47Å; T101-P103 VanDerWaalsContact C-N 3.33Å; T101-P103 WeakPolarHBondContact O-CD 3.42Å; T101-P103 VanDerWaalsContact O-N 3.07Å
104	F	97.2	Very high	97.3	Very high	81 Å²	81	78.2 Å²	78.2	36%	0.355	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-15.5	-175.5	58.7	-102.1	0	0	0	114.5	T101 Q102 G106 S107 L108	T101-F104 HydrophobicContact CG2-CE2 4.22Å; T101-F104 HydrophobicContact CG2-CZ 4.06Å; T101-F104 PolarHBondContact O-N 2.97Å; Q102-F104 PolarHBondContact O-N 3.02Å; F104-G106 PolarHBondContact O-N 3.34Å; F104-S107 WeakPolarHBondContact O-CB 3.27Å; F104-S107 PolarHBondContact O-N 2.88Å; F104-L108 HydrophobicContact CD2-CD1 3.56Å; F104-L108 HydrophobicContact CD2-CG 4.14Å; F104-L108 HydrophobicContact CE2-CD1 3.99Å; F104-L108 PolarHBondContact O-N 3.43Å; F104-L108 VanDerWaalsContact O-N 3.1Å
105	W	97.6	Very high	97.4	Very high	58 Å²	58	74.6 Å²	74.6	22%	0.22	39%	0.391	C	S	.	.	H	α-helix	trans	-55.1	-52.6	-170.9	-166.2	-106.4	0	0	0	112.9	L31 D32 T101 S107 L108 T109	L31-W105 HydrophobicContact CB-CH2 4.03Å; L31-W105 HydrophobicContact CB-CZ2 3.53Å; L31-W105 HydrophobicContact CD1-CH2 3.79Å; L31-W105 HydrophobicContact CD1-CZ2 4.18Å; L31-W105 HydrophobicContact CD1-CZ3 3.97Å; L31-W105 HydrophobicContact CD2-CD2 4.4Å; L31-W105 HydrophobicContact CG-CH2 4.42Å; L31-W105 HydrophobicContact CG-CZ2 4.32Å; D32-W105 PolarHBondContact O-NE1 2.82Å; T101-W105 HydrophobicContact CG2-CE3 4.07Å; T101-W105 HydrophobicContact CG2-CZ3 4.42Å; T101-W105 WeakPolarHBondContact O-CB 3.17Å; T101-W105 PolarHBondContact O-N 3.45Å; W105-S107 PolarHBondContact O-N 3.46Å; W105-L108 PolarHBondContact O-N 2.99Å; W105-T109 HydrophobicContact CD2-CG2 4.39Å; W105-T109 HydrophobicContact CG-CG2 4.39Å; W105-T109 HydrophobicContact CZ2-CG2 4.29Å; W105-T109 PolarHBondContact O-N 3.46Å; W105-T109 PolarHBondContact O-OG1 3.49Å
106	G	96.4	Very high	97.4	Very high	36 Å²	36	71.7 Å²	71.7	37%	0.371	38%	0.384	S	S	.	.	H	α-helix	trans	-59.3	-33.5	178.1	0	0	0	0	0	113.4	F104 L108 T109 H110	F104-G106 PolarHBondContact O-N 3.34Å; G106-L108 VanDerWaalsContact C-N 3.33Å; G106-T109 WeakPolarHBondContact CA-OG1 3.2Å; G106-T109 PolarHBondContact O-OG1 2.58Å; G106-H110 WeakPolarHBondContact O-CB 3.39Å; G106-H110 PolarHBondContact O-N 2.98Å; G106-H110 PolarHBondContact O-ND1 2.93Å
107	S	96.8	Very high	97.4	Very high	92 Å²	92	68.9 Å²	68.9	64%	0.643	37%	0.369	S	S	*	.	H	α-helix	trans	-70.5	-29.9	175.8	-65.7	0	0	0	0	112.5	F104 W105 R111	F104-S107 WeakPolarHBondContact O-CB 3.27Å; F104-S107 PolarHBondContact O-N 2.88Å; W105-S107 PolarHBondContact O-N 3.46Å; S107-R111 WeakPolarHBondContact O-CB 3.43Å; S107-R111 PolarHBondContact O-N 2.84Å
108	L	96.9	Very high	97.4	Very high	52 Å²	52	73.9 Å²	73.9	27%	0.272	39%	0.392	S	S	.	.	H	α-helix	trans	-80.1	-42.9	177.7	-61.5	-174	0	0	0	112	F104 W105 G106 R111 W172	F104-L108 HydrophobicContact CD2-CD1 3.56Å; F104-L108 HydrophobicContact CD2-CG 4.14Å; F104-L108 HydrophobicContact CE2-CD1 3.99Å; F104-L108 PolarHBondContact O-N 3.43Å; F104-L108 VanDerWaalsContact O-N 3.1Å; W105-L108 PolarHBondContact O-N 2.99Å; G106-L108 VanDerWaalsContact C-N 3.33Å; L108-R111 WeakPolarHBondContact O-CB 3.28Å; L108-R111 PolarHBondContact O-N 3.26Å; L108-W172 HydrophobicContact CD1-CH2 4.32Å; L108-W172 HydrophobicContact CD2-CH2 3.66Å; L108-W172 HydrophobicContact CD2-CZ3 3.71Å
109	T	96.3	Very high	97.4	Very high	44 Å²	44	72.7 Å²	72.7	27%	0.27	39%	0.385	S	S	.	.	H	α-helix	trans	-66.3	-37.5	-178.9	53.5	0	0	0	0	111.9	W105 G106 R111	W105-T109 HydrophobicContact CD2-CG2 4.39Å; W105-T109 HydrophobicContact CG-CG2 4.39Å; W105-T109 HydrophobicContact CZ2-CG2 4.29Å; W105-T109 PolarHBondContact O-N 3.46Å; W105-T109 PolarHBondContact O-OG1 3.49Å; G106-T109 WeakPolarHBondContact CA-OG1 3.2Å; G106-T109 PolarHBondContact O-OG1 2.58Å; T109-R111 VanDerWaalsContact C-N 3.35Å
110	H	95.3	Very high	97.2	Very high	148 Å²	148	70 Å²	70	69%	0.685	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	0.3	177.2	-60.5	84.2	0	0	0	113.6	G106 T112	G106-H110 WeakPolarHBondContact O-CB 3.39Å; G106-H110 PolarHBondContact O-N 2.98Å; G106-H110 PolarHBondContact O-ND1 2.93Å; H110-T112 PolarHBondContact O-N 2.79Å
111	R	97.3	Very high	97.1	Very high	76 Å²	76	68.9 Å²	68.9	29%	0.287	37%	0.366	S	S	.	.			trans	-68.5	122	-179.2	-178.7	176.6	176.8	162.6	-1.4	109.4	S107 L108 T109 Y141	S107-R111 WeakPolarHBondContact O-CB 3.43Å; S107-R111 PolarHBondContact O-N 2.84Å; L108-R111 WeakPolarHBondContact O-CB 3.28Å; L108-R111 PolarHBondContact O-N 3.26Å; T109-R111 VanDerWaalsContact C-N 3.35Å; R111-Y141 HydrophobicContact CB-CD1 4.34Å; R111-Y141 HydrophobicContact CB-CE1 4.04Å; R111-Y141 HydrophobicContact CG-CD1 3.99Å; R111-Y141 HydrophobicContact CG-CE1 4.07Å; R111-Y141 WeakPolarHBondContact O-CD1 3.32Å; R111-Y141 VanDerWaalsContact O-CE1 3.29Å; R111-Y141 WeakPolarHBondContact O-CE1 3.44Å
112	T	98.1	Very high	97	Very high	49 Å²	49	70.2 Å²	70.2	30%	0.301	38%	0.375	S	S	.	.			trans	-132.7	154.2	169.8	62.5	0	0	0	0	112	H110 Y141 I197	H110-T112 PolarHBondContact O-N 2.79Å; T112-Y141 CarbonylContact C-O 3.58Å; T112-Y141 VanDerWaalsContact CA-O 3.3Å; T112-Y141 WeakPolarHBondContact CA-O 3.45Å; T112-I197 HydrophobicContact CG2-CD1 3.95Å; T112-I197 HydrophobicContact CG2-CG1 3.98Å
113	R	98.2	Very high	96.9	Very high	136 Å²	136	69 Å²	69	51%	0.513	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-135.1	123.2	167.2	-71.8	-68.6	-177.7	-105.1	7.6	108.4	F140 Y141 H196	R113-F140 VanDerWaalsContact O-CA 3.24Å; R113-F140 WeakPolarHBondContact O-CA 3.5Å; R113-F140 WeakPolarHBondContact O-CB 3.44Å; R113-Y141 PolarHBondContact N-O 2.95Å; R113-Y141 PolarHBondContact O-N 3Å; R113-Y141 VanDerWaalsContact O-N 3.09Å; R113-H196 PolarHBondContact O-CE1 2.97Å; R113-H196 VanDerWaalsContact O-CE1 3.25Å
114	P	98.3	Very high	96.7	Very high	71 Å²	71	67.2 Å²	67.2	46%	0.461	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-67.3	147.3	178.3	25.6	-32.6	0	0	0	111.3	G198 A199	P114-G198 WeakPolarHBondContact CB-O 3.39Å; P114-A199 HydrophobicContact CB-CB 4.44Å
115	P	98.1	Very high	96.5	Very high	8 Å²	8	67 Å²	67	5%	0.052	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-72.1	142.9	175.5	20	-22.5	0	0	0	112.9	V117 V137 F140 V194 H196 I203	P115-V117 HydrophobicContact CB-CG2 4.32Å; P115-V137 HydrophobicContact CB-CG1 3.5Å; P115-V137 HydrophobicContact CG-CG1 4.36Å; P115-F140 HydrophobicContact CB-CB 3.77Å; P115-F140 HydrophobicContact CB-CD1 3.96Å; P115-F140 HydrophobicContact CB-CG 4.12Å; P115-F140 HydrophobicContact CG-CB 4.29Å; P115-V194 HydrophobicContact CB-CG1 4.47Å; P115-V194 HydrophobicContact CG-CG1 3.95Å; P115-H196 HydrophobicContact CG-CB 3.71Å; P115-I203 HydrophobicContact CG-CD1 3.87Å; P115-I203 WeakPolarHBondContact O-CD1 3.38Å
116	S	98.4	Very high	96.3	Very high	58 Å²	58	71.6 Å²	71.6	41%	0.406	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	136.8	157.9	-66.9	0	0	0	0	109.3	V137 W138	S116-V137 WeakPolarHBondContact O-CA 3.39Å; S116-W138 VanDerWaalsContact CB-CE2 3.42Å; S116-W138 PolarHBondContact N-O 2.95Å; S116-W138 VanDerWaalsContact O-CE3 3.31Å; S116-W138 PolarHBondContact O-N 2.95Å
117	V	98.1	Very high	96.1	Very high	10 Å²	10	72 Å²	72	6%	0.061	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.5	-173.7	-170.8	0	0	0	0	110.7	P115 C135 Y136 V137 V194 I203 R205	P115-V117 HydrophobicContact CB-CG2 4.32Å; V117-C135 VanDerWaalsContact CG1-SG 3.55Å; V117-Y136 VanDerWaalsContact CA-O 3.31Å; V117-Y136 WeakPolarHBondContact CA-O 3.33Å; V117-V137 HydrophobicContact CG1-CG2 4.33Å; V117-V137 HydrophobicContact CG2-CG1 4.37Å; V117-V137 HydrophobicContact CG2-CG2 4.43Å; V117-V194 HydrophobicContact CB-CG2 4.43Å; V117-V194 HydrophobicContact CG1-CG2 3.76Å; V117-V194 HydrophobicContact CG2-CB 3.99Å; V117-V194 HydrophobicContact CG2-CG1 4.22Å; V117-V194 HydrophobicContact CG2-CG2 3.74Å; V117-I203 HydrophobicContact CB-CG2 4.05Å; V117-I203 HydrophobicContact CG2-CB 4.14Å; V117-I203 HydrophobicContact CG2-CD1 4.23Å; V117-I203 HydrophobicContact CG2-CG2 3.78Å; V117-R205 HydrophobicContact CB-CG 3.84Å; V117-R205 HydrophobicContact CG1-CB 4.2Å; V117-R205 HydrophobicContact CG1-CG 3.64Å; V117-R205 PolarHBondContact O-NE 2.84Å; V117-R205 VanDerWaalsContact O-NE 3.12Å
118	Q	97.5	Very high	96.1	Very high	110 Å²	110	79.7 Å²	79.7	51%	0.514	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.6	174.4	-178.4	175.4	7.2	0	0	111	C135 Y136 W138	Q118-C135 WeakPolarHBondContact O-CA 3.29Å; Q118-Y136 PolarHBondContact N-O 3.44Å; Q118-Y136 PolarHBondContact O-N 2.96Å; Q118-W138 HydrophobicContact CB-CH2 3.67Å; Q118-W138 HydrophobicContact CB-CZ3 3.76Å
119	V	96.6	Very high	96	Very high	22 Å²	22	80.6 Å²	80.6	13%	0.133	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.8	173.2	179.6	0	0	0	0	109.2	L133 A134 C135 W149 C192 R205 W207	V119-L133 HydrophobicContact CG1-CB 4.27Å; V119-L133 HydrophobicContact CG1-CD1 4.21Å; V119-A134 WeakPolarHBondContact CA-O 3.29Å; V119-C135 HydrophobicContact CG2-CB 4.17Å; V119-W149 HydrophobicContact CG1-CH2 4.05Å; V119-W149 HydrophobicContact CG1-CZ3 4.25Å; V119-W149 HydrophobicContact CG2-CH2 4.35Å; V119-C192 HydrophobicContact CG2-CB 3.53Å; V119-R205 HydrophobicContact CG2-CB 3.7Å; V119-W207 HydrophobicContact CB-CB 4.49Å; V119-W207 HydrophobicContact CG1-CB 3.73Å; V119-W207 HydrophobicContact CG1-CG 4.27Å
120	A	94.9	Very high	95.9	Very high	31 Å²	31	82.4 Å²	82.4	26%	0.256	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159	174.2	0	0	0	0	0	111.2	L133 A134 Y136	A120-L133 WeakPolarHBondContact O-CA 3.4Å; A120-A134 PolarHBondContact N-O 3.12Å; A120-A134 PolarHBondContact O-N 3.28Å; A120-Y136 HydrophobicContact CB-CE2 4.29Å
121	Q	94.9	Very high	95.9	Very high	115 Å²	115	76.2 Å²	76.2	54%	0.537	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	144.5	168.9	-67.8	-176	42.7	0	0	110.3	V131 M132 L133 W207	Q121-V131 HydrophobicContact CG-CG1 4.1Å; Q121-M132 CarbonylContact C-O 3.58Å; Q121-M132 WeakPolarHBondContact CA-O 3.43Å; Q121-L133 HydrophobicContact CG-CD2 3.84Å; Q121-W207 HydrophobicContact CG-CZ2 3.99Å
122	T	94.6	Very high	95.8	Very high	42 Å²	42	72.6 Å²	72.6	26%	0.258	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	167.1	174.1	-164.6	0	0	0	0	110.1	P124 M132 A134 Y179	T122-P124 WeakPolarHBondContact O-CD 3.26Å; T122-M132 HydrophobicContact CG2-CB 4.05Å; T122-M132 HydrophobicContact CG2-CG 3.73Å; T122-M132 HydrophobicContact CG2-SD 3.93Å; T122-M132 PolarHBondContact N-O 3.07Å; T122-A134 HydrophobicContact CG2-CB 4.11Å; T122-Y179 HydrophobicContact CG2-CD1 4.1Å; T122-Y179 HydrophobicContact CG2-CE1 3.94Å
123	T	94.6	Very high	95.7	Very high	118 Å²	118	70.3 Å²	70.3	72%	0.724	36%	0.364	S	S	*	.			trans	-62.8	122.3	176.7	-53.7	0	0	0	0	109.5
124	P	94.6	Very high	95.6	Very high	54 Å²	54	63.8 Å²	63.8	35%	0.351	34%	0.339	S	S	.	.			trans	-60.2	139.5	177.2	-23.6	34	0	0	0	111.7	T122 T127 M132	T122-P124 WeakPolarHBondContact O-CD 3.26Å; P124-T127 HydrophobicContact CB-CG2 3.96Å; P124-M132 HydrophobicContact CB-CB 4.19Å; P124-M132 HydrophobicContact CG-CB 4.17Å
125	F	92.9	Very high	95.5	Very high	76 Å²	76	60.4 Å²	60.4	33%	0.333	32%	0.317	S	S	.	.			trans	-137.5	150.6	174.3	63.6	-94.7	0	0	0	109.8	T127 M132 H159 Y179	F125-T127 WeakPolarHBondContact O-CG2 3.16Å; F125-T127 PolarHBondContact O-N 2.87Å; F125-M132 HydrophobicContact CD1-CE 3.96Å; F125-M132 HydrophobicContact CD1-SD 3.39Å; F125-M132 WeakPolarHBondContact CD1-SD 3.49Å; F125-M132 HydrophobicContact CD2-CE 4.49Å; F125-M132 HydrophobicContact CE1-CE 3.97Å; F125-M132 HydrophobicContact CE1-SD 3.17Å; F125-M132 WeakPolarHBondContact CE1-SD 3.49Å; F125-M132 HydrophobicContact CE2-CE 4.48Å; F125-M132 HydrophobicContact CG-CE 4.23Å; F125-M132 HydrophobicContact CG-SD 4.24Å; F125-M132 HydrophobicContact CZ-CE 4.22Å; F125-M132 HydrophobicContact CZ-SD 3.86Å; F125-M132 VanDerWaalsContact O-CE 3.27Å; F125-M132 WeakPolarHBondContact O-CE 3.42Å; F125-H159 AromaticContact CE2-CD2 3.72Å; F125-H159 AromaticContact CE2-NE2 3.71Å; F125-H159 AromaticContact CZ-CD2 3.99Å; F125-H159 PolarHBondContact O-NE2 2.84Å; F125-Y179 HydrophobicContact CE1-CD1 4.09Å; F125-Y179 AromaticContact CE1-CD2 3.99Å; F125-Y179 HydrophobicContact CE1-CD2 3.99Å; F125-Y179 AromaticContact CE1-CE1 3.97Å; F125-Y179 HydrophobicContact CE1-CE1 3.97Å; F125-Y179 AromaticContact CE1-CE2 3.8Å; F125-Y179 HydrophobicContact CE1-CE2 3.8Å; F125-Y179 HydrophobicContact CE1-CG 4.1Å; F125-Y179 AromaticContact CE1-CZ 3.8Å; F125-Y179 HydrophobicContact CZ-CD1 4.38Å; F125-Y179 AromaticContact CZ-CD2 3.51Å; F125-Y179 HydrophobicContact CZ-CD2 3.51Å; F125-Y179 HydrophobicContact CZ-CE1 4.47Å; F125-Y179 AromaticContact CZ-CE2 3.54Å; F125-Y179 HydrophobicContact CZ-CE2 3.54Å; F125-Y179 AromaticContact CZ-CG 3.92Å; F125-Y179 HydrophobicContact CZ-CG 3.92Å
126	N	92.8	Very high	95.5	Very high	155 Å²	155	63.9 Å²	63.9	83%	0.829	33%	0.33	S	S	*	.	S	Bend	trans	48	28.1	177.2	-61.6	-25	0	0	0	115.4	H159	N126-H159 PolarHBondContact O-CE1 2.93Å
127	T	93.8	Very high	95.4	Very high	46 Å²	46	61.2 Å²	61.2	28%	0.282	31%	0.311	S	S	.	.			trans	-143.6	156.8	-178.3	-171.6	0	0	0	0	110.7	P124 F125 E129 M132 A181	P124-T127 HydrophobicContact CB-CG2 3.96Å; F125-T127 WeakPolarHBondContact O-CG2 3.16Å; F125-T127 PolarHBondContact O-N 2.87Å; T127-E129 HydrophobicContact CG2-CB 4.23Å; T127-E129 WeakPolarHBondContact OG1-CG 3.35Å; T127-E129 PolarHBondContact OG1-N 2.88Å; T127-M132 HydrophobicContact CG2-CE 3.68Å; T127-A181 HydrophobicContact CG2-CB 4.02Å
128	R	95.1	Very high	95.4	Very high	253 Å²	253	65.4 Å²	65.4	96%	0.955	33%	0.326	S	S	*	.	S	Bend	trans	-93.6	-9	170.6	-62.5	-179	-176.9	170.8	1.1	112.5
129	E	95.2	Very high	95.5	Very high	71 Å²	71	61.4 Å²	61.4	33%	0.332	32%	0.315	S	S	.	.			trans	-66.5	140	179.6	-62.5	-61.8	149.4	0	0	111	T127 V131 A181 T183	T127-E129 HydrophobicContact CG2-CB 4.23Å; T127-E129 WeakPolarHBondContact OG1-CG 3.35Å; T127-E129 PolarHBondContact OG1-N 2.88Å; E129-V131 VanDerWaalsContact C-N 3.33Å; E129-V131 PolarHBondContact O-N 2.91Å; E129-A181 HydrophobicContact CB-CB 3.97Å; E129-A181 HydrophobicContact CG-CB 3.84Å; E129-T183 WeakPolarHBondContact OE2-CB 3.33Å; E129-T183 PolarHBondContact OE2-N 2.9Å; E129-T183 PolarHBondContact OE2-OG1 3.25Å
130	P	94.6	Very high	95.5	Very high	82 Å²	82	60.4 Å²	60.4	53%	0.532	31%	0.308	S	S	.	.	S	Bend	trans	-74.3	-23.1	-175.3	30.5	-35.9	0	0	0	113.1	T183	P130-T183 WeakPolarHBondContact CD-OG1 3.5Å; P130-T183 HydrophobicContact CG-CG2 4.3Å
131	V	95	Very high	95.7	Very high	18 Å²	18	61.1 Å²	61.1	11%	0.109	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141	-179.2	177.4	0	0	0	0	110.1	Q121 E129 L133 L182 P184 W207	Q121-V131 HydrophobicContact CG-CG1 4.1Å; E129-V131 VanDerWaalsContact C-N 3.33Å; E129-V131 PolarHBondContact O-N 2.91Å; V131-L133 HydrophobicContact CG1-CD2 4.26Å; V131-L182 HydrophobicContact CB-CD1 4Å; V131-L182 HydrophobicContact CB-CG 4.39Å; V131-L182 HydrophobicContact CG1-CD1 4.06Å; V131-L182 HydrophobicContact CG1-CG 4.38Å; V131-L182 PolarHBondContact N-O 2.86Å; V131-L182 PolarHBondContact O-N 2.92Å; V131-L182 VanDerWaalsContact O-O 3.11Å; V131-P184 HydrophobicContact CB-CG 4.48Å; V131-P184 HydrophobicContact CG2-CG 3.82Å; V131-W207 HydrophobicContact CG1-CH2 4.27Å
132	M	95.8	Very high	95.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.7	169.8	-175.6	174	-77.1	0	0	109.6	Q121 T122 P124 F125 T127 Y179 L180 A181	Q121-M132 CarbonylContact C-O 3.58Å; Q121-M132 WeakPolarHBondContact CA-O 3.43Å; T122-M132 HydrophobicContact CG2-CB 4.05Å; T122-M132 HydrophobicContact CG2-CG 3.73Å; T122-M132 HydrophobicContact CG2-SD 3.93Å; T122-M132 PolarHBondContact N-O 3.07Å; P124-M132 HydrophobicContact CB-CB 4.19Å; P124-M132 HydrophobicContact CG-CB 4.17Å; F125-M132 HydrophobicContact CD1-CE 3.96Å; F125-M132 HydrophobicContact CD1-SD 3.39Å; F125-M132 WeakPolarHBondContact CD1-SD 3.49Å; F125-M132 HydrophobicContact CD2-CE 4.49Å; F125-M132 HydrophobicContact CE1-CE 3.97Å; F125-M132 HydrophobicContact CE1-SD 3.17Å; F125-M132 WeakPolarHBondContact CE1-SD 3.49Å; F125-M132 HydrophobicContact CE2-CE 4.48Å; F125-M132 HydrophobicContact CG-CE 4.23Å; F125-M132 HydrophobicContact CG-SD 4.24Å; F125-M132 HydrophobicContact CZ-CE 4.22Å; F125-M132 HydrophobicContact CZ-SD 3.86Å; F125-M132 VanDerWaalsContact O-CE 3.27Å; F125-M132 WeakPolarHBondContact O-CE 3.42Å; T127-M132 HydrophobicContact CG2-CE 3.68Å; M132-Y179 HydrophobicContact CG-CD1 4.35Å; M132-Y179 HydrophobicContact SD-CD1 4.09Å; M132-Y179 HydrophobicContact SD-CG 4.35Å; M132-L180 CarbonylContact C-O 3.55Å; M132-L180 WeakPolarHBondContact CA-O 3.4Å; M132-A181 HydrophobicContact CE-CB 4.3Å
133	L	96.3	Very high	95.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	143.6	170.7	-57.3	-178.4	0	0	0	110.1	V119 A120 Q121 V131 W149 Y179 L180 L182 Y190 W207	V119-L133 HydrophobicContact CG1-CB 4.27Å; V119-L133 HydrophobicContact CG1-CD1 4.21Å; A120-L133 WeakPolarHBondContact O-CA 3.4Å; Q121-L133 HydrophobicContact CG-CD2 3.84Å; V131-L133 HydrophobicContact CG1-CD2 4.26Å; L133-W149 HydrophobicContact CB-CH2 3.71Å; L133-W149 HydrophobicContact CB-CZ2 4.45Å; L133-W149 HydrophobicContact CB-CZ3 4.19Å; L133-W149 HydrophobicContact CD1-CH2 4.31Å; L133-W149 HydrophobicContact CD1-CZ3 3.95Å; L133-Y179 CarbonylContact O-C 3.57Å; L133-Y179 VanDerWaalsContact O-CA 3.26Å; L133-Y179 WeakPolarHBondContact O-CA 3.14Å; L133-L180 HydrophobicContact CB-CB 4.46Å; L133-L180 PolarHBondContact N-O 2.84Å; L133-L180 PolarHBondContact O-N 2.99Å; L133-L182 HydrophobicContact CD1-CD2 3.55Å; L133-L182 HydrophobicContact CG-CD2 3.69Å; L133-Y190 HydrophobicContact CD1-CG 4.35Å; L133-W207 HydrophobicContact CD1-CB 4.08Å; L133-W207 HydrophobicContact CD1-CD2 3.81Å; L133-W207 HydrophobicContact CD1-CE3 3.59Å; L133-W207 HydrophobicContact CD1-CG 4.01Å; L133-W207 HydrophobicContact CD1-CZ3 4.31Å; L133-W207 HydrophobicContact CD2-CD2 3.51Å; L133-W207 HydrophobicContact CD2-CE3 3.9Å; L133-W207 HydrophobicContact CD2-CG 3.83Å; L133-W207 HydrophobicContact CD2-CH2 4.42Å; L133-W207 HydrophobicContact CD2-CZ2 4.12Å; L133-W207 HydrophobicContact CD2-CZ3 4.32Å; L133-W207 HydrophobicContact CG-CD2 4.29Å; L133-W207 HydrophobicContact CG-CE3 4.28Å
134	A	95.8	Very high	96	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.1	167.1	0	0	0	0	0	108.5	V119 A120 T122 Y136 S178 Y179	V119-A134 WeakPolarHBondContact CA-O 3.29Å; A120-A134 PolarHBondContact N-O 3.12Å; A120-A134 PolarHBondContact O-N 3.28Å; T122-A134 HydrophobicContact CG2-CB 4.11Å; A134-Y136 HydrophobicContact CB-CD2 4.24Å; A134-Y136 HydrophobicContact CB-CE1 4.3Å; A134-Y136 HydrophobicContact CB-CE2 3.54Å; A134-S178 WeakPolarHBondContact CA-O 3.41Å; A134-Y179 HydrophobicContact CB-CD1 3.8Å; A134-Y179 HydrophobicContact CB-CE1 3.68Å
135	C	96.5	Very high	96	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	106.3	167	-175.4	0	0	0	0	108.4	V117 Q118 V119 W149 L177 S178 C192	V117-C135 VanDerWaalsContact CG1-SG 3.55Å; Q118-C135 WeakPolarHBondContact O-CA 3.29Å; V119-C135 HydrophobicContact CG2-CB 4.17Å; C135-W149 HydrophobicContact CB-CH2 3.71Å; C135-W149 HydrophobicContact CB-CZ2 3.45Å; C135-W149 VanDerWaalsContact CB-CZ2 3.45Å; C135-L177 WeakPolarHBondContact O-CA 3.39Å; C135-L177 WeakPolarHBondContact O-CB 3.18Å; C135-S178 PolarHBondContact N-O 2.87Å; C135-S178 PolarHBondContact O-N 3.41Å; C135-C192 HydrophobicContact CB-CB 3.66Å; C135-C192 WeakPolarHBondContact CB-SG 3.19Å; C135-C192 WeakPolarHBondContact SG-CB 3.44Å; C135-C192 CovalentContact SG-SG 2.02Å; C135-C192 PolarHBondContact SG-SG 3.37Å
136	Y	96.9	Very high	96.1	Very high	81 Å²	81	55 Å²	55	32%	0.318	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.7	176.9	-59.2	-84.3	0	0	0	109	V117 Q118 A120 A134 W138 L177	V117-Y136 VanDerWaalsContact CA-O 3.31Å; V117-Y136 WeakPolarHBondContact CA-O 3.33Å; Q118-Y136 PolarHBondContact N-O 3.44Å; Q118-Y136 PolarHBondContact O-N 2.96Å; A120-Y136 HydrophobicContact CB-CE2 4.29Å; A134-Y136 HydrophobicContact CB-CD2 4.24Å; A134-Y136 HydrophobicContact CB-CE1 4.3Å; A134-Y136 HydrophobicContact CB-CE2 3.54Å; Y136-W138 WeakPolarHBondContact O-CZ3 3.39Å; Y136-L177 HydrophobicContact CD1-CB 4.38Å; Y136-L177 HydrophobicContact CD1-CD2 4.32Å; Y136-L177 HydrophobicContact CE1-CD2 4.28Å
137	V	97.6	Very high	96.2	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	122.1	179.3	-172.5	0	0	0	0	108.1	P115 S116 V117 F140 V145 I147 Q175 T176 V194	P115-V137 HydrophobicContact CB-CG1 3.5Å; P115-V137 HydrophobicContact CG-CG1 4.36Å; S116-V137 WeakPolarHBondContact O-CA 3.39Å; V117-V137 HydrophobicContact CG1-CG2 4.33Å; V117-V137 HydrophobicContact CG2-CG1 4.37Å; V117-V137 HydrophobicContact CG2-CG2 4.43Å; V137-F140 HydrophobicContact CB-CE1 4.28Å; V137-F140 HydrophobicContact CG1-CD1 3.84Å; V137-F140 HydrophobicContact CG1-CE1 3.71Å; V137-V145 HydrophobicContact CG1-CG2 4.36Å; V137-I147 HydrophobicContact CB-CD1 4.2Å; V137-I147 HydrophobicContact CG2-CD1 3.54Å; V137-I147 HydrophobicContact CG2-CG1 4.19Å; V137-Q175 CarbonylContact O-C 3.53Å; V137-Q175 VanDerWaalsContact O-CA 3.3Å; V137-Q175 WeakPolarHBondContact O-CA 3.47Å; V137-T176 HydrophobicContact CB-CG2 4.19Å; V137-T176 PolarHBondContact N-O 2.98Å; V137-T176 PolarHBondContact O-N 2.82Å; V137-V194 HydrophobicContact CG1-CG1 3.89Å; V137-V194 HydrophobicContact CG2-CG1 4.36Å; V137-V194 HydrophobicContact CG2-CG2 3.76Å
138	W	98.1	Very high	96.3	Very high	98 Å²	98	49 Å²	49	37%	0.371	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	166.6	-173.8	70.7	94.2	0	0	0	113.6	S116 Q118 Y136 F140 Q175	S116-W138 VanDerWaalsContact CB-CE2 3.42Å; S116-W138 PolarHBondContact N-O 2.95Å; S116-W138 VanDerWaalsContact O-CE3 3.31Å; S116-W138 PolarHBondContact O-N 2.95Å; Q118-W138 HydrophobicContact CB-CH2 3.67Å; Q118-W138 HydrophobicContact CB-CZ3 3.76Å; Y136-W138 WeakPolarHBondContact O-CZ3 3.39Å; W138-F140 VanDerWaalsContact C-N 3.28Å; W138-F140 PolarHBondContact O-N 3.23Å; W138-Q175 HydrophobicContact CB-CB 3.89Å
139	G	98.1	Very high	96.4	Very high	27 Å²	27	37 Å²	37	28%	0.278	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.4	14.7	174.1	0	0	0	0	0	114.2	Y174	G139-Y174 PolarHBondContact N-O 2.62Å
140	F	98.3	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	158.7	-175.4	61.5	-86.9	0	0	0	113	R113 P115 V137 W138 P142 V145 A166 T173 Y174 T176 H196	R113-F140 VanDerWaalsContact O-CA 3.24Å; R113-F140 WeakPolarHBondContact O-CA 3.5Å; R113-F140 WeakPolarHBondContact O-CB 3.44Å; P115-F140 HydrophobicContact CB-CB 3.77Å; P115-F140 HydrophobicContact CB-CD1 3.96Å; P115-F140 HydrophobicContact CB-CG 4.12Å; P115-F140 HydrophobicContact CG-CB 4.29Å; V137-F140 HydrophobicContact CB-CE1 4.28Å; V137-F140 HydrophobicContact CG1-CD1 3.84Å; V137-F140 HydrophobicContact CG1-CE1 3.71Å; W138-F140 VanDerWaalsContact C-N 3.28Å; W138-F140 PolarHBondContact O-N 3.23Å; F140-P142 VanDerWaalsContact CD2-O 3.29Å; F140-P142 WeakPolarHBondContact CD2-O 3.37Å; F140-V145 HydrophobicContact CD2-CB 4.46Å; F140-V145 HydrophobicContact CE2-CB 3.9Å; F140-V145 HydrophobicContact CE2-CG1 3.75Å; F140-V145 HydrophobicContact CZ-CB 4.23Å; F140-V145 HydrophobicContact CZ-CG1 3.7Å; F140-A166 HydrophobicContact CE2-CB 4.1Å; F140-A166 HydrophobicContact CZ-CB 3.84Å; F140-T173 CarbonylContact O-C 3.54Å; F140-T173 WeakPolarHBondContact O-CA 3.36Å; F140-Y174 WeakPolarHBondContact CD1-O 3.33Å; F140-Y174 WeakPolarHBondContact CE1-O 3.41Å; F140-Y174 PolarHBondContact O-N 2.82Å; F140-T176 HydrophobicContact CE1-CG2 4.35Å; F140-T176 HydrophobicContact CZ-CG2 4.06Å; F140-H196 AromaticContact CD2-CD2 3.69Å; F140-H196 AromaticContact CD2-NE2 3.64Å
141	Y	98.2	Very high	96.6	Very high	46 Å²	46	35.3 Å²	35.3	18%	0.18	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-155.1	135.5	173.4	178.6	-83.4	0	0	0	109.1	R111 T112 R113 W172 Y174 H196	R111-Y141 HydrophobicContact CB-CD1 4.34Å; R111-Y141 HydrophobicContact CB-CE1 4.04Å; R111-Y141 HydrophobicContact CG-CD1 3.99Å; R111-Y141 HydrophobicContact CG-CE1 4.07Å; R111-Y141 WeakPolarHBondContact O-CD1 3.32Å; R111-Y141 VanDerWaalsContact O-CE1 3.29Å; R111-Y141 WeakPolarHBondContact O-CE1 3.44Å; T112-Y141 CarbonylContact C-O 3.58Å; T112-Y141 VanDerWaalsContact CA-O 3.3Å; T112-Y141 WeakPolarHBondContact CA-O 3.45Å; R113-Y141 PolarHBondContact N-O 2.95Å; R113-Y141 PolarHBondContact O-N 3Å; R113-Y141 VanDerWaalsContact O-N 3.09Å; Y141-W172 WeakPolarHBondContact CB-O 3.49Å; Y141-W172 HydrophobicContact CD2-CB 4.46Å; Y141-W172 WeakPolarHBondContact CD2-O 3.3Å; Y141-W172 AromaticContact CE2-CE3 3.96Å; Y141-W172 HydrophobicContact CE2-CE3 3.96Å; Y141-Y174 HydrophobicContact CD2-CD2 4.26Å; Y141-Y174 AromaticContact CD2-CE2 3.84Å; Y141-Y174 HydrophobicContact CD2-CE2 3.84Å; Y141-Y174 HydrophobicContact CE2-CE2 4.23Å; Y141-H196 PolarHBondContact O-CE1 3.32Å
142	P	97.4	Very high	96.6	Very high	32 Å²	32	38.3 Å²	38.3	21%	0.208	20%	0.201	C	C	.	.	S	Bend	cis	-76.1	-176.7	3.2	33.2	-38	0	0	0	113.1	F140 D144 H196 I197	F140-P142 VanDerWaalsContact CD2-O 3.29Å; F140-P142 WeakPolarHBondContact CD2-O 3.37Å; P142-D144 VanDerWaalsContact C-N 3.28Å; P142-D144 PolarHBondContact O-N 3.21Å; P142-H196 PolarHBondContact O-NE2 3.1Å; P142-I197 VanDerWaalsContact CD-CD1 3.45Å; P142-I197 HydrophobicContact CG-CD1 3.5Å; P142-I197 VanDerWaalsContact CG-CD1 3.5Å; P142-I197 HydrophobicContact CG-CG1 3.99Å
143	A	96.9	Very high	96.5	Very high	29 Å²	29	40.9 Å²	40.9	24%	0.24	23%	0.228	C	C	.	.	S	Bend	trans	-66.3	-24.5	-174.5	0	0	0	0	0	114.6	V145 A166 Y174	A143-V145 PolarHBondContact O-N 3.28Å; A143-A166 HydrophobicContact CB-CB 4.38Å; A143-A166 WeakPolarHBondContact O-CB 3.27Å; A143-Y174 HydrophobicContact CB-CD1 3.65Å; A143-Y174 HydrophobicContact CB-CD2 3.99Å; A143-Y174 HydrophobicContact CB-CE1 3.53Å; A143-Y174 HydrophobicContact CB-CE2 3.87Å; A143-Y174 HydrophobicContact CB-CG 3.89Å
144	D	95.4	Very high	96.5	Very high	126 Å²	126	46.4 Å²	46.4	67%	0.674	26%	0.258	S	S	*	.			trans	-69.4	118	-176.3	-66	-23.5	0	0	0	110.7	P142 H196	P142-D144 VanDerWaalsContact C-N 3.28Å; P142-D144 PolarHBondContact O-N 3.21Å; D144-H196 PolarHBondContact O-CD2 3.04Å
145	V	95.5	Very high	96.6	Very high	20 Å²	20	52.5 Å²	52.5	12%	0.121	29%	0.29	C	S	.	.			trans	-147.9	140.4	-178.6	63.7	0	0	0	0	110	V137 F140 A143 I147 T176 V194 H196	V137-V145 HydrophobicContact CG1-CG2 4.36Å; F140-V145 HydrophobicContact CD2-CB 4.46Å; F140-V145 HydrophobicContact CE2-CB 3.9Å; F140-V145 HydrophobicContact CE2-CG1 3.75Å; F140-V145 HydrophobicContact CZ-CB 4.23Å; F140-V145 HydrophobicContact CZ-CG1 3.7Å; A143-V145 PolarHBondContact O-N 3.28Å; V145-I147 HydrophobicContact CG2-CG1 4.31Å; V145-T176 HydrophobicContact CG1-CG2 3.77Å; V145-V194 HydrophobicContact CG2-CG1 3.72Å; V145-H196 HydrophobicContact CG2-CB 4.39Å
146	T	95	Very high	96.5	Very high	69 Å²	69	54.8 Å²	54.8	42%	0.423	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.5	175.6	-57.9	0	0	0	0	109.3	T148 V194 E195	T146-T148 HydrophobicContact CG2-CG2 4.28Å; T146-V194 WeakPolarHBondContact O-CA 3.37Å; T146-E195 PolarHBondContact N-O 3.01Å; T146-E195 PolarHBondContact O-N 3.36Å
147	I	95.2	Very high	96.3	Very high	33 Å²	33	58 Å²	58	17%	0.169	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.8	178.9	-53.5	173	0	0	0	108.8	V137 V145 T176 V193 V194	V137-I147 HydrophobicContact CB-CD1 4.2Å; V137-I147 HydrophobicContact CG2-CD1 3.54Å; V137-I147 HydrophobicContact CG2-CG1 4.19Å; V145-I147 HydrophobicContact CG2-CG1 4.31Å; I147-T176 HydrophobicContact CD1-CG2 3.57Å; I147-V193 WeakPolarHBondContact CA-O 3.31Å; I147-V194 HydrophobicContact CG1-CG2 4.35Å; I147-V194 HydrophobicContact CG2-CG2 4.43Å
148	T	95.3	Very high	96.1	Very high	43 Å²	43	60 Å²	60	26%	0.264	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	161.1	175.2	62.6	0	0	0	0	111.1	T146 V193	T146-T148 HydrophobicContact CG2-CG2 4.28Å; T148-V193 PolarHBondContact N-O 2.88Å; T148-V193 PolarHBondContact O-N 3.02Å; T148-V193 WeakPolarHBondContact OG1-CB 3.49Å
149	W	96.6	Very high	95.7	Very high	1 Å²	1	58 Å²	58	0%	0.004	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.8	177.7	-73.1	95.6	0	0	0	110.1	V119 L133 C135 L155 V156 S178 L180 T191 C192	V119-W149 HydrophobicContact CG1-CH2 4.05Å; V119-W149 HydrophobicContact CG1-CZ3 4.25Å; V119-W149 HydrophobicContact CG2-CH2 4.35Å; L133-W149 HydrophobicContact CB-CH2 3.71Å; L133-W149 HydrophobicContact CB-CZ2 4.45Å; L133-W149 HydrophobicContact CB-CZ3 4.19Å; L133-W149 HydrophobicContact CD1-CH2 4.31Å; L133-W149 HydrophobicContact CD1-CZ3 3.95Å; C135-W149 HydrophobicContact CB-CH2 3.71Å; C135-W149 HydrophobicContact CB-CZ2 3.45Å; C135-W149 VanDerWaalsContact CB-CZ2 3.45Å; W149-L155 WeakPolarHBondContact O-CA 3.46Å; W149-V156 HydrophobicContact CB-CG2 3.57Å; W149-V156 PolarHBondContact O-N 3.22Å; W149-S178 PolarHBondContact NE1-OG 2.79Å; W149-L180 HydrophobicContact CB-CD1 4.43Å; W149-L180 HydrophobicContact CB-CD2 4.24Å; W149-L180 HydrophobicContact CD2-CB 3.73Å; W149-L180 HydrophobicContact CD2-CD2 3.87Å; W149-L180 HydrophobicContact CD2-CG 4.31Å; W149-L180 HydrophobicContact CE3-CB 4.07Å; W149-L180 HydrophobicContact CE3-CD2 3.63Å; W149-L180 HydrophobicContact CE3-CG 4.47Å; W149-L180 HydrophobicContact CG-CB 4.14Å; W149-L180 HydrophobicContact CG-CD1 4.39Å; W149-L180 HydrophobicContact CG-CD2 4.16Å; W149-L180 HydrophobicContact CG-CG 4.47Å; W149-L180 HydrophobicContact CH2-CB 4.27Å; W149-L180 HydrophobicContact CZ2-CB 3.95Å; W149-L180 HydrophobicContact CZ3-CB 4.33Å; W149-L180 HydrophobicContact CZ3-CD2 4.23Å; W149-T191 WeakPolarHBondContact CA-O 3.4Å; W149-C192 HydrophobicContact CE3-CB 4.19Å; W149-C192 HydrophobicContact CH2-CB 4.14Å; W149-C192 HydrophobicContact CZ3-CB 3.95Å
150	M	97.6	Very high	94.7	Very high	55 Å²	55	58.4 Å²	58.4	27%	0.271	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.7	170.7	-64.2	-179.4	178.6	0	0	110.6	N154 L155 Y190 T191 V193	M150-N154 CarbonylContact C-O 3.58Å; M150-N154 WeakPolarHBondContact CA-O 3.41Å; M150-L155 HydrophobicContact CE-CD2 3.99Å; M150-L155 HydrophobicContact CG-CD2 4.11Å; M150-Y190 CarbonylContact O-C 3.46Å; M150-Y190 WeakPolarHBondContact O-CA 3.48Å; M150-T191 PolarHBondContact N-O 3.19Å; M150-T191 PolarHBondContact O-N 3.25Å; M150-V193 HydrophobicContact CE-CG2 4.09Å; M150-V193 HydrophobicContact CG-CG2 4.12Å; M150-V193 HydrophobicContact SD-CG2 3.99Å
151	K	97.1	Very high	92.8	Very high	63 Å²	63	64.2 Å²	64.2	27%	0.274	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.4	165.7	179.3	-178.1	179.2	161.2	0	108.2	G153 N154 V156 D188 Y190	K151-G153 PolarHBondContact O-N 2.8Å; K151-N154 PolarHBondContact N-O 3.05Å; K151-N154 PolarHBondContact O-N 3.22Å; K151-V156 HydrophobicContact CB-CG1 3.66Å; K151-D188 WeakPolarHBondContact CE-OD1 3.33Å; K151-D188 WeakPolarHBondContact CE-OD2 3.17Å; K151-D188 IonicContact NZ-OD1 3.55Å; K151-D188 IonicContact NZ-OD2 2.82Å; K151-D188 PolarHBondContact NZ-OD2 3.46Å; K151-Y190 HydrophobicContact CB-CD1 4.1Å; K151-Y190 HydrophobicContact CB-CE1 4.05Å; K151-Y190 HydrophobicContact CD-CE1 3.72Å; K151-Y190 WeakPolarHBondContact CE-OH 3.37Å; K151-Y190 HydrophobicContact CG-CD1 4.14Å; K151-Y190 HydrophobicContact CG-CE1 3.73Å; K151-Y190 PolarHBondContact NZ-OH 3.14Å; K151-Y190 VanDerWaalsContact NZ-OH 3.12Å
152	N	95.7	Very high	90.9	Very high	80 Å²	80	64.3 Å²	64.3	43%	0.428	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	40.8	-179.1	-55.6	-30.8	0	0	0	112.3	N154 D188 T189	N152-N154 VanDerWaalsContact C-N 3.33Å; N152-N154 PolarHBondContact O-N 3.26Å; N152-D188 PolarHBondContact ND2-OD1 2.87Å; N152-D188 WeakPolarHBondContact OD1-CA 3.19Å; N152-T189 PolarHBondContact N-O 3.03Å; N152-T189 PolarHBondContact OD1-N 2.94Å; N152-T189 PolarHBondContact OD1-O 3.38Å
153	G	93.8	Very high	88.9	Confident	55 Å²	55	71 Å²	71	57%	0.567	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-6	-178	0	0	0	0	0	116.3	K151	K151-G153 PolarHBondContact O-N 2.8Å
154	N	96.6	Very high	87.5	Confident	115 Å²	115	74 Å²	74	62%	0.615	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	137	178.7	-61.5	-66.3	0	0	0	111.4	M150 K151 N152	M150-N154 CarbonylContact C-O 3.58Å; M150-N154 WeakPolarHBondContact CA-O 3.41Å; K151-N154 PolarHBondContact N-O 3.05Å; K151-N154 PolarHBondContact O-N 3.22Å; N152-N154 VanDerWaalsContact C-N 3.33Å; N152-N154 PolarHBondContact O-N 3.26Å
155	L	95.9	Very high	86.9	Confident	129 Å²	129	74.4 Å²	74.4	68%	0.675	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	136.4	178.1	-71.5	169.6	0	0	0	111.9	W149 M150	W149-L155 WeakPolarHBondContact O-CA 3.46Å; M150-L155 HydrophobicContact CE-CD2 3.99Å; M150-L155 HydrophobicContact CG-CD2 4.11Å
156	V	95.1	Very high	86.9	Confident	48 Å²	48	73.9 Å²	73.9	29%	0.291	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.8	175.4	-63.3	0	0	0	0	111.1	W149 K151 L180	W149-V156 HydrophobicContact CB-CG2 3.57Å; W149-V156 PolarHBondContact O-N 3.22Å; K151-V156 HydrophobicContact CB-CG1 3.66Å; V156-L180 HydrophobicContact CG2-CD1 3.87Å; V156-L180 HydrophobicContact CG2-CD2 4.13Å
157	I	92.6	Very high	86.9	Confident	148 Å²	148	76 Å²	76	76%	0.759	43%	0.433	S	S	*	.			trans	-78.5	129.3	-175.7	-55.8	175	0	0	0	109.2
158	P	93.3	Very high	87	Confident	42 Å²	42	77.8 Å²	77.8	27%	0.273	45%	0.447	S	S	.	.			trans	-65.1	158.4	174.3	26.3	-33.1	0	0	0	111.8	S160	P158-S160 PolarHBondContact O-N 2.96Å
159	H	89.8	Confident	87.1	Confident	57 Å²	57	78.9 Å²	78.9	26%	0.264	45%	0.451	S	S	.	.	S	Bend	trans	-65.1	-36.6	179.6	179.6	57.8	0	0	0	112.9	F125 N126 Y179 A181	F125-H159 AromaticContact CE2-CD2 3.72Å; F125-H159 AromaticContact CE2-NE2 3.71Å; F125-H159 AromaticContact CZ-CD2 3.99Å; F125-H159 PolarHBondContact O-NE2 2.84Å; N126-H159 PolarHBondContact O-CE1 2.93Å; H159-Y179 PolarHBondContact N-O 3.04Å; H159-A181 HydrophobicContact CB-CB 4.17Å
160	S	77.6	Confident	87.1	Confident	36 Å²	36	82.4 Å²	82.4	25%	0.252	49%	0.487	S	S	.	.	S	Bend	trans	-106.6	117.9	173.5	58.5	0	0	0	0	109.9	P158 G162	P158-S160 PolarHBondContact O-N 2.96Å; S160-G162 VanDerWaalsContact C-N 3.27Å; S160-G162 PolarHBondContact O-N 2.92Å
161	S	59	Low	87.1	Confident	121 Å²	121	84.4 Å²	84.4	85%	0.846	50%	0.499	S	S	*	.			trans	-81.8	3.9	-176.4	59	0	0	0	0	114.8
162	G	56.8	Low	87.1	Confident	49 Å²	49	87.1 Å²	87.1	51%	0.505	51%	0.508	S	S	.	.	S	Bend	trans	-93.8	129.3	175.8	0	0	0	0	0	110.9	S160 K164	S160-G162 VanDerWaalsContact C-N 3.27Å; S160-G162 PolarHBondContact O-N 2.92Å; G162-K164 PolarHBondContact O-N 2.97Å
163	Q	56.2	Low	87.3	Confident	173 Å²	173	84.4 Å²	84.4	81%	0.808	49%	0.494	S	S	*	.			trans	-57.2	101.7	163.1	-173.1	175.4	7.4	0	0	107.3	T165	Q163-T165 PolarHBondContact O-N 3.47Å
164	K	68.4	Low	87.5	Confident	92 Å²	92	84.6 Å²	84.6	40%	0.4	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-69.1	116.2	175.6	-71.6	-172.5	-176.1	177.1	0	107.4	G162 A166 Y179	G162-K164 PolarHBondContact O-N 2.97Å; K164-A166 PolarHBondContact O-N 3.23Å; K164-Y179 VanDerWaalsContact NZ-CE2 3.3Å
165	T	82.6	Confident	87.5	Confident	133 Å²	133	83.4 Å²	83.4	82%	0.816	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-52.4	129.3	169.4	-46.1	0	0	0	0	108.5	Q163 Q167	Q163-T165 PolarHBondContact O-N 3.47Å; T165-Q167 PolarHBondContact O-N 2.97Å
166	A	93.9	Very high	87.5	Confident	10 Å²	10	78.1 Å²	78.1	8%	0.083	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-63.7	132.7	179.6	0	0	0	0	0	109.9	F140 A143 K164 P168 Y174	F140-A166 HydrophobicContact CE2-CB 4.1Å; F140-A166 HydrophobicContact CZ-CB 3.84Å; A143-A166 HydrophobicContact CB-CB 4.38Å; A143-A166 WeakPolarHBondContact O-CB 3.27Å; K164-A166 PolarHBondContact O-N 3.23Å; A166-P168 WeakPolarHBondContact O-CD 3.42Å; A166-Y174 HydrophobicContact CB-CD1 4.04Å; A166-Y174 HydrophobicContact CB-CG 4.34Å
167	Q	96.2	Very high	87.4	Confident	114 Å²	114	78 Å²	78	53%	0.533	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.4	179.3	176	61.1	51	0	0	109.3	T165 Y174 Q175	T165-Q167 PolarHBondContact O-N 2.97Å; Q167-Y174 WeakPolarHBondContact O-CA 3.37Å; Q167-Q175 HydrophobicContact CB-CG 4.08Å; Q167-Q175 HydrophobicContact CG-CG 4.48Å; Q167-Q175 PolarHBondContact N-O 3.02Å; Q167-Q175 PolarHBondContact O-N 3.12Å
168	P	97.5	Very high	87.6	Confident	70 Å²	70	71.5 Å²	71.5	46%	0.455	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	136.8	171.4	27.1	-34.3	0	0	0	111	A166 Y174	A166-P168 WeakPolarHBondContact O-CD 3.42Å; P168-Y174 HydrophobicContact CB-CD1 4.14Å; P168-Y174 HydrophobicContact CB-CE1 3.73Å
169	N	97.4	Very high	87.7	Confident	65 Å²	65	71.2 Å²	71.2	35%	0.348	40%	0.401	S	S	.	.			trans	-90.2	-12.3	176	-67.7	-29.4	0	0	0	113.4	D171 T173 Q175	N169-D171 VanDerWaalsContact C-N 3.29Å; N169-D171 VanDerWaalsContact CB-OD1 3.27Å; N169-D171 WeakPolarHBondContact CB-OD1 2.99Å; N169-D171 PolarHBondContact O-N 2.02Å; N169-T173 WeakPolarHBondContact CB-O 3.04Å; N169-T173 PolarHBondContact N-O 2.82Å; N169-T173 PolarHBondContact ND2-OG1 2.97Å; N169-Q175 VanDerWaalsContact OD1-CD 3.29Å; N169-Q175 WeakPolarHBondContact OD1-CG 3.35Å
170	G	96.9	Very high	88	Confident	75 Å²	75	68.9 Å²	68.9	77%	0.773	39%	0.391	S	S	*	.	S	Bend	trans	84.1	-6.4	-177.5	0	0	0	0	0	115
171	D	97.4	Very high	88.8	Confident	98 Å²	98	68.2 Å²	68.2	52%	0.524	39%	0.387	S	S	.	.	S	Bend	trans	-106.7	21.4	178.1	69.5	-12.1	0	0	0	113	N169 T173	N169-D171 VanDerWaalsContact C-N 3.29Å; N169-D171 VanDerWaalsContact CB-OD1 3.27Å; N169-D171 WeakPolarHBondContact CB-OD1 2.99Å; N169-D171 PolarHBondContact O-N 2.02Å; D171-T173 VanDerWaalsContact C-N 3.28Å; D171-T173 WeakPolarHBondContact OD1-CB 3.33Å; D171-T173 PolarHBondContact OD1-N 3.01Å; D171-T173 PolarHBondContact OD1-OG1 3.04Å; D171-T173 PolarHBondContact OD2-OG1 2.86Å
172	W	97.1	Very high	90.6	Very high	120 Å²	120	62.9 Å²	62.9	46%	0.455	35%	0.349	S	S	.	.	S	Bend	trans	65	27.3	-172.1	-62.9	54	0	0	0	114.1	L108 Y141	L108-W172 HydrophobicContact CD1-CH2 4.32Å; L108-W172 HydrophobicContact CD2-CH2 3.66Å; L108-W172 HydrophobicContact CD2-CZ3 3.71Å; Y141-W172 WeakPolarHBondContact CB-O 3.49Å; Y141-W172 HydrophobicContact CD2-CB 4.46Å; Y141-W172 WeakPolarHBondContact CD2-O 3.3Å; Y141-W172 AromaticContact CE2-CE3 3.96Å; Y141-W172 HydrophobicContact CE2-CE3 3.96Å
173	T	98.1	Very high	92.4	Very high	23 Å²	23	64.3 Å²	64.3	14%	0.141	35%	0.348	C	S	.	.			trans	-123.8	161.1	165.8	72.4	0	0	0	0	111.4	F140 N169 D171	F140-T173 CarbonylContact O-C 3.54Å; F140-T173 WeakPolarHBondContact O-CA 3.36Å; N169-T173 WeakPolarHBondContact CB-O 3.04Å; N169-T173 PolarHBondContact N-O 2.82Å; N169-T173 PolarHBondContact ND2-OG1 2.97Å; D171-T173 VanDerWaalsContact C-N 3.28Å; D171-T173 WeakPolarHBondContact OD1-CB 3.33Å; D171-T173 PolarHBondContact OD1-N 3.01Å; D171-T173 PolarHBondContact OD1-OG1 3.04Å; D171-T173 PolarHBondContact OD2-OG1 2.86Å
174	Y	98.3	Very high	94	Very high	59 Å²	59	58.1 Å²	58.1	23%	0.231	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	160.1	179.2	-68.6	-92.8	0	0	0	110.9	G139 F140 Y141 A143 A166 Q167 P168	G139-Y174 PolarHBondContact N-O 2.62Å; F140-Y174 WeakPolarHBondContact CD1-O 3.33Å; F140-Y174 WeakPolarHBondContact CE1-O 3.41Å; F140-Y174 PolarHBondContact O-N 2.82Å; Y141-Y174 HydrophobicContact CD2-CD2 4.26Å; Y141-Y174 AromaticContact CD2-CE2 3.84Å; Y141-Y174 HydrophobicContact CD2-CE2 3.84Å; Y141-Y174 HydrophobicContact CE2-CE2 4.23Å; A143-Y174 HydrophobicContact CB-CD1 3.65Å; A143-Y174 HydrophobicContact CB-CD2 3.99Å; A143-Y174 HydrophobicContact CB-CE1 3.53Å; A143-Y174 HydrophobicContact CB-CE2 3.87Å; A143-Y174 HydrophobicContact CB-CG 3.89Å; A166-Y174 HydrophobicContact CB-CD1 4.04Å; A166-Y174 HydrophobicContact CB-CG 4.34Å; Q167-Y174 WeakPolarHBondContact O-CA 3.37Å; P168-Y174 HydrophobicContact CB-CD1 4.14Å; P168-Y174 HydrophobicContact CB-CE1 3.73Å
175	Q	97.3	Very high	95.1	Very high	89 Å²	89	56.9 Å²	56.9	42%	0.416	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	148.6	171.6	64.6	-177.5	18.4	0	0	111.4	V137 W138 Q167 N169	V137-Q175 CarbonylContact O-C 3.53Å; V137-Q175 VanDerWaalsContact O-CA 3.3Å; V137-Q175 WeakPolarHBondContact O-CA 3.47Å; W138-Q175 HydrophobicContact CB-CB 3.89Å; Q167-Q175 HydrophobicContact CB-CG 4.08Å; Q167-Q175 HydrophobicContact CG-CG 4.48Å; Q167-Q175 PolarHBondContact N-O 3.02Å; Q167-Q175 PolarHBondContact O-N 3.12Å; N169-Q175 VanDerWaalsContact OD1-CD 3.29Å; N169-Q175 WeakPolarHBondContact OD1-CG 3.35Å
176	T	95.8	Very high	95.4	Very high	19 Å²	19	61.5 Å²	61.5	12%	0.117	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	174.2	174.1	-167.1	0	0	0	0	109.5	V137 F140 V145 I147	V137-T176 HydrophobicContact CB-CG2 4.19Å; V137-T176 PolarHBondContact N-O 2.98Å; V137-T176 PolarHBondContact O-N 2.82Å; F140-T176 HydrophobicContact CE1-CG2 4.35Å; F140-T176 HydrophobicContact CZ-CG2 4.06Å; V145-T176 HydrophobicContact CG1-CG2 3.77Å; I147-T176 HydrophobicContact CD1-CG2 3.57Å
177	L	93.8	Very high	95	Very high	45 Å²	45	64 Å²	64	24%	0.236	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	149.1	176.5	60.4	90.4	0	0	0	111.8	C135 Y136 Y179	C135-L177 WeakPolarHBondContact O-CA 3.39Å; C135-L177 WeakPolarHBondContact O-CB 3.18Å; Y136-L177 HydrophobicContact CD1-CB 4.38Å; Y136-L177 HydrophobicContact CD1-CD2 4.32Å; Y136-L177 HydrophobicContact CE1-CD2 4.28Å; L177-Y179 HydrophobicContact CD1-CD1 4.35Å; L177-Y179 HydrophobicContact CD1-CD2 3.75Å; L177-Y179 HydrophobicContact CD1-CE1 3.76Å; L177-Y179 HydrophobicContact CD1-CE2 3.12Å; L177-Y179 HydrophobicContact CD1-CG 4.35Å; L177-Y179 VanDerWaalsContact CD1-OH 3.28Å; L177-Y179 WeakPolarHBondContact CD1-OH 3.13Å
178	S	95.3	Very high	94.9	Very high	12 Å²	12	59.3 Å²	59.3	8%	0.084	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145.3	174.9	-175.5	0	0	0	0	110.2	A134 C135 W149	A134-S178 WeakPolarHBondContact CA-O 3.41Å; C135-S178 PolarHBondContact N-O 2.87Å; C135-S178 PolarHBondContact O-N 3.41Å; W149-S178 PolarHBondContact NE1-OG 2.79Å
179	Y	95.6	Very high	94.8	Very high	36 Å²	36	58 Å²	58	14%	0.141	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.4	-179.9	-63.9	-70.7	0	0	0	111.3	T122 F125 M132 L133 A134 H159 K164 L177	T122-Y179 HydrophobicContact CG2-CD1 4.1Å; T122-Y179 HydrophobicContact CG2-CE1 3.94Å; F125-Y179 HydrophobicContact CE1-CD1 4.09Å; F125-Y179 AromaticContact CE1-CD2 3.99Å; F125-Y179 HydrophobicContact CE1-CD2 3.99Å; F125-Y179 AromaticContact CE1-CE1 3.97Å; F125-Y179 HydrophobicContact CE1-CE1 3.97Å; F125-Y179 AromaticContact CE1-CE2 3.8Å; F125-Y179 HydrophobicContact CE1-CE2 3.8Å; F125-Y179 HydrophobicContact CE1-CG 4.1Å; F125-Y179 AromaticContact CE1-CZ 3.8Å; F125-Y179 HydrophobicContact CZ-CD1 4.38Å; F125-Y179 AromaticContact CZ-CD2 3.51Å; F125-Y179 HydrophobicContact CZ-CD2 3.51Å; F125-Y179 HydrophobicContact CZ-CE1 4.47Å; F125-Y179 AromaticContact CZ-CE2 3.54Å; F125-Y179 HydrophobicContact CZ-CE2 3.54Å; F125-Y179 AromaticContact CZ-CG 3.92Å; F125-Y179 HydrophobicContact CZ-CG 3.92Å; M132-Y179 HydrophobicContact CG-CD1 4.35Å; M132-Y179 HydrophobicContact SD-CD1 4.09Å; M132-Y179 HydrophobicContact SD-CG 4.35Å; L133-Y179 CarbonylContact O-C 3.57Å; L133-Y179 VanDerWaalsContact O-CA 3.26Å; L133-Y179 WeakPolarHBondContact O-CA 3.14Å; A134-Y179 HydrophobicContact CB-CD1 3.8Å; A134-Y179 HydrophobicContact CB-CE1 3.68Å; H159-Y179 PolarHBondContact N-O 3.04Å; K164-Y179 VanDerWaalsContact NZ-CE2 3.3Å; L177-Y179 HydrophobicContact CD1-CD1 4.35Å; L177-Y179 HydrophobicContact CD1-CD2 3.75Å; L177-Y179 HydrophobicContact CD1-CE1 3.76Å; L177-Y179 HydrophobicContact CD1-CE2 3.12Å; L177-Y179 HydrophobicContact CD1-CG 4.35Å; L177-Y179 VanDerWaalsContact CD1-OH 3.28Å; L177-Y179 WeakPolarHBondContact CD1-OH 3.13Å
180	L	95.9	Very high	94.8	Very high	8 Å²	8	55.2 Å²	55.2	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	119.2	171.3	-178.6	67.5	0	0	0	109.4	M132 L133 W149 V156 L182 Y190	M132-L180 CarbonylContact C-O 3.55Å; M132-L180 WeakPolarHBondContact CA-O 3.4Å; L133-L180 HydrophobicContact CB-CB 4.46Å; L133-L180 PolarHBondContact N-O 2.84Å; L133-L180 PolarHBondContact O-N 2.99Å; W149-L180 HydrophobicContact CB-CD1 4.43Å; W149-L180 HydrophobicContact CB-CD2 4.24Å; W149-L180 HydrophobicContact CD2-CB 3.73Å; W149-L180 HydrophobicContact CD2-CD2 3.87Å; W149-L180 HydrophobicContact CD2-CG 4.31Å; W149-L180 HydrophobicContact CE3-CB 4.07Å; W149-L180 HydrophobicContact CE3-CD2 3.63Å; W149-L180 HydrophobicContact CE3-CG 4.47Å; W149-L180 HydrophobicContact CG-CB 4.14Å; W149-L180 HydrophobicContact CG-CD1 4.39Å; W149-L180 HydrophobicContact CG-CD2 4.16Å; W149-L180 HydrophobicContact CG-CG 4.47Å; W149-L180 HydrophobicContact CH2-CB 4.27Å; W149-L180 HydrophobicContact CZ2-CB 3.95Å; W149-L180 HydrophobicContact CZ3-CB 4.33Å; W149-L180 HydrophobicContact CZ3-CD2 4.23Å; V156-L180 HydrophobicContact CG2-CD1 3.87Å; V156-L180 HydrophobicContact CG2-CD2 4.13Å; L180-L182 HydrophobicContact CD2-CD2 3.82Å; L180-L182 HydrophobicContact CG-CD2 4.05Å; L180-Y190 HydrophobicContact CD2-CD1 3.72Å; L180-Y190 HydrophobicContact CD2-CE1 4.4Å
181	A	96	Very high	94.8	Very high	21 Å²	21	52.4 Å²	52.4	17%	0.174	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131	173	0	0	0	0	0	108.9	T127 E129 M132 H159	T127-A181 HydrophobicContact CG2-CB 4.02Å; E129-A181 HydrophobicContact CB-CB 3.97Å; E129-A181 HydrophobicContact CG-CB 3.84Å; M132-A181 HydrophobicContact CE-CB 4.3Å; H159-A181 HydrophobicContact CB-CB 4.17Å
182	L	95.1	Very high	94.8	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.047	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	155.7	-173.1	63.9	93.1	0	0	0	113.7	V131 L133 L180 P184 Y190 W207	V131-L182 HydrophobicContact CB-CD1 4Å; V131-L182 HydrophobicContact CB-CG 4.39Å; V131-L182 HydrophobicContact CG1-CD1 4.06Å; V131-L182 HydrophobicContact CG1-CG 4.38Å; V131-L182 PolarHBondContact N-O 2.86Å; V131-L182 PolarHBondContact O-N 2.92Å; V131-L182 VanDerWaalsContact O-O 3.11Å; L133-L182 HydrophobicContact CD1-CD2 3.55Å; L133-L182 HydrophobicContact CG-CD2 3.69Å; L180-L182 HydrophobicContact CD2-CD2 3.82Å; L180-L182 HydrophobicContact CG-CD2 4.05Å; L182-P184 HydrophobicContact CD1-CB 3.83Å; L182-P184 HydrophobicContact CD1-CG 4.29Å; L182-Y190 HydrophobicContact CB-CE1 4.11Å; L182-Y190 HydrophobicContact CD1-CE1 4.43Å; L182-Y190 HydrophobicContact CD1-CE2 4.01Å; L182-Y190 HydrophobicContact CD2-CD1 3.73Å; L182-Y190 HydrophobicContact CD2-CD2 4.21Å; L182-Y190 HydrophobicContact CD2-CE1 3.74Å; L182-Y190 HydrophobicContact CD2-CE2 4.24Å; L182-Y190 HydrophobicContact CD2-CG 3.96Å; L182-Y190 HydrophobicContact CG-CE1 4.33Å; L182-W207 HydrophobicContact CD1-CH2 4.43Å; L182-W207 HydrophobicContact CD1-CZ3 4.04Å
183	T	95.3	Very high	94.8	Very high	79 Å²	79	42.5 Å²	42.5	49%	0.485	23%	0.234	S	C	.	.			trans	-103.4	109.3	164.4	-67.3	0	0	0	0	108.4	E129 P130	E129-T183 WeakPolarHBondContact OE2-CB 3.33Å; E129-T183 PolarHBondContact OE2-N 2.9Å; E129-T183 PolarHBondContact OE2-OG1 3.25Å; P130-T183 WeakPolarHBondContact CD-OG1 3.5Å; P130-T183 HydrophobicContact CG-CG2 4.3Å
184	P	91.3	Very high	94.8	Very high	44 Å²	44	41.4 Å²	41.4	29%	0.286	23%	0.228	S	C	.	.			trans	-74.9	137.4	-172.5	29.7	-33.5	0	0	0	111.8	V131 L182 W207 P209	V131-P184 HydrophobicContact CB-CG 4.48Å; V131-P184 HydrophobicContact CG2-CG 3.82Å; L182-P184 HydrophobicContact CD1-CB 3.83Å; L182-P184 HydrophobicContact CD1-CG 4.29Å; P184-W207 HydrophobicContact CB-CH2 4.09Å; P184-W207 HydrophobicContact CB-CZ3 4.35Å; P184-P209 HydrophobicContact CB-CB 3.83Å; P184-P209 HydrophobicContact CB-CG 3.46Å; P184-P209 VanDerWaalsContact CB-CG 3.46Å
185	S	91.5	Very high	94.8	Very high	65 Å²	65	43 Å²	43	46%	0.455	24%	0.237	S	C	.	.			trans	-114	146.5	168.1	-60.7	0	0	0	0	110.8	G187 D188	S185-G187 PolarHBondContact O-N 3.19Å; S185-D188 WeakPolarHBondContact CB-OD2 3.44Å; S185-D188 PolarHBondContact N-OD2 3.09Å; S185-D188 WeakPolarHBondContact O-CB 3.24Å; S185-D188 PolarHBondContact O-N 2.95Å
186	Y	87.4	Confident	94.8	Very high	231 Å²	231	39.4 Å²	39.4	91%	0.906	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	130.1	176.7	-174.1	-96.8	0	0	0	110.2
187	G	86.6	Confident	94.8	Very high	61 Å²	61	44.3 Å²	44.3	63%	0.629	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.5	-7.1	-175.6	0	0	0	0	0	115.1	S185	S185-G187 PolarHBondContact O-N 3.19Å
188	D	93.6	Very high	95	Very high	16 Å²	16	42.9 Å²	42.9	9%	0.086	24%	0.241	C	C	.	.			trans	-71	137.6	169.4	-76.8	-25.9	0	0	0	111.1	K151 N152 S185 Y190 P209	K151-D188 WeakPolarHBondContact CE-OD1 3.33Å; K151-D188 WeakPolarHBondContact CE-OD2 3.17Å; K151-D188 IonicContact NZ-OD1 3.55Å; K151-D188 IonicContact NZ-OD2 2.82Å; K151-D188 PolarHBondContact NZ-OD2 3.46Å; N152-D188 PolarHBondContact ND2-OD1 2.87Å; N152-D188 WeakPolarHBondContact OD1-CA 3.19Å; S185-D188 WeakPolarHBondContact CB-OD2 3.44Å; S185-D188 PolarHBondContact N-OD2 3.09Å; S185-D188 WeakPolarHBondContact O-CB 3.24Å; S185-D188 PolarHBondContact O-N 2.95Å; D188-Y190 HydrophobicContact CB-CD2 4.26Å; D188-Y190 HydrophobicContact CB-CE2 3.52Å; D188-Y190 PolarHBondContact OD2-OH 2.91Å; D188-P209 WeakPolarHBondContact O-CD 3.43Å
189	T	95.8	Very high	95.1	Very high	44 Å²	44	43.1 Å²	43.1	27%	0.27	24%	0.244	S	C	.	.			trans	-116.8	125.7	167.4	-58.8	0	0	0	0	109	N152 D206 T208	N152-T189 PolarHBondContact N-O 3.03Å; N152-T189 PolarHBondContact OD1-N 2.94Å; N152-T189 PolarHBondContact OD1-O 3.38Å; T189-D206 HydrophobicContact CG2-CB 4Å; T189-T208 HydrophobicContact CG2-CG2 4.19Å
190	Y	96.8	Very high	95.1	Very high	6 Å²	6	47.7 Å²	47.7	2%	0.024	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.4	175	-62.2	-91.6	0	0	0	109	L133 M150 K151 L180 L182 D188 D206 W207	L133-Y190 HydrophobicContact CD1-CG 4.35Å; M150-Y190 CarbonylContact O-C 3.46Å; M150-Y190 WeakPolarHBondContact O-CA 3.48Å; K151-Y190 HydrophobicContact CB-CD1 4.1Å; K151-Y190 HydrophobicContact CB-CE1 4.05Å; K151-Y190 HydrophobicContact CD-CE1 3.72Å; K151-Y190 WeakPolarHBondContact CE-OH 3.37Å; K151-Y190 HydrophobicContact CG-CD1 4.14Å; K151-Y190 HydrophobicContact CG-CE1 3.73Å; K151-Y190 PolarHBondContact NZ-OH 3.14Å; K151-Y190 VanDerWaalsContact NZ-OH 3.12Å; L180-Y190 HydrophobicContact CD2-CD1 3.72Å; L180-Y190 HydrophobicContact CD2-CE1 4.4Å; L182-Y190 HydrophobicContact CB-CE1 4.11Å; L182-Y190 HydrophobicContact CD1-CE1 4.43Å; L182-Y190 HydrophobicContact CD1-CE2 4.01Å; L182-Y190 HydrophobicContact CD2-CD1 3.73Å; L182-Y190 HydrophobicContact CD2-CD2 4.21Å; L182-Y190 HydrophobicContact CD2-CE1 3.74Å; L182-Y190 HydrophobicContact CD2-CE2 4.24Å; L182-Y190 HydrophobicContact CD2-CG 3.96Å; L182-Y190 HydrophobicContact CG-CE1 4.33Å; D188-Y190 HydrophobicContact CB-CD2 4.26Å; D188-Y190 HydrophobicContact CB-CE2 3.52Å; D188-Y190 PolarHBondContact OD2-OH 2.91Å; Y190-D206 CarbonylContact O-C 3.49Å; Y190-D206 WeakPolarHBondContact O-CA 3.15Å; Y190-W207 AromaticContact CD2-CE3 3.6Å; Y190-W207 HydrophobicContact CD2-CE3 3.6Å; Y190-W207 AromaticContact CD2-CZ3 3.65Å; Y190-W207 HydrophobicContact CD2-CZ3 3.65Å; Y190-W207 HydrophobicContact CE2-CE3 4.37Å; Y190-W207 AromaticContact CE2-CZ3 3.96Å; Y190-W207 HydrophobicContact CE2-CZ3 3.96Å; Y190-W207 HydrophobicContact CG-CE3 4.25Å; Y190-W207 PolarHBondContact N-O 2.86Å; Y190-W207 PolarHBondContact O-N 3.49Å
191	T	97.9	Very high	95.2	Very high	16 Å²	16	54.2 Å²	54.2	10%	0.098	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.6	-175.8	-52.6	0	0	0	0	109.6	W149 M150 V193 L204 R205 D206	W149-T191 WeakPolarHBondContact CA-O 3.4Å; M150-T191 PolarHBondContact N-O 3.19Å; M150-T191 PolarHBondContact O-N 3.25Å; T191-V193 HydrophobicContact CG2-CG2 4.08Å; T191-L204 HydrophobicContact CG2-CB 4.03Å; T191-L204 HydrophobicContact CG2-CD2 4.12Å; T191-R205 WeakPolarHBondContact CA-O 3.3Å; T191-D206 WeakPolarHBondContact CB-OD1 3.35Å; T191-D206 WeakPolarHBondContact CG2-OD1 3.32Å; T191-D206 PolarHBondContact OG1-OD1 2.62Å
192	C	97.2	Very high	95.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.5	162.5	-179.6	0	0	0	0	108.8	V119 C135 W149 L204 R205	V119-C192 HydrophobicContact CG2-CB 3.53Å; C135-C192 HydrophobicContact CB-CB 3.66Å; C135-C192 WeakPolarHBondContact CB-SG 3.19Å; C135-C192 WeakPolarHBondContact SG-CB 3.44Å; C135-C192 CovalentContact SG-SG 2.02Å; C135-C192 PolarHBondContact SG-SG 3.37Å; W149-C192 HydrophobicContact CE3-CB 4.19Å; W149-C192 HydrophobicContact CH2-CB 4.14Å; W149-C192 HydrophobicContact CZ3-CB 3.95Å; C192-L204 WeakPolarHBondContact O-CA 3.03Å; C192-R205 PolarHBondContact N-O 3.41Å; C192-R205 PolarHBondContact O-N 3.38Å
193	V	97.5	Very high	95.4	Very high	9 Å²	9	56.8 Å²	56.8	6%	0.055	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.2	178.9	-175.7	0	0	0	0	108	I147 T148 M150 T191 P202 L204	I147-V193 WeakPolarHBondContact CA-O 3.31Å; T148-V193 PolarHBondContact N-O 2.88Å; T148-V193 PolarHBondContact O-N 3.02Å; T148-V193 WeakPolarHBondContact OG1-CB 3.49Å; M150-V193 HydrophobicContact CE-CG2 4.09Å; M150-V193 HydrophobicContact CG-CG2 4.12Å; M150-V193 HydrophobicContact SD-CG2 3.99Å; T191-V193 HydrophobicContact CG2-CG2 4.08Å; V193-P202 HydrophobicContact CG1-CB 4Å; V193-L204 HydrophobicContact CB-CD2 4.03Å; V193-L204 HydrophobicContact CG1-CD2 3.75Å; V193-L204 HydrophobicContact CG2-CD2 3.62Å
194	V	97.1	Very high	95.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.5	-178.3	-178.1	0	0	0	0	109.7	P115 V117 V137 V145 T146 I147 P202 I203	P115-V194 HydrophobicContact CB-CG1 4.47Å; P115-V194 HydrophobicContact CG-CG1 3.95Å; V117-V194 HydrophobicContact CB-CG2 4.43Å; V117-V194 HydrophobicContact CG1-CG2 3.76Å; V117-V194 HydrophobicContact CG2-CB 3.99Å; V117-V194 HydrophobicContact CG2-CG1 4.22Å; V117-V194 HydrophobicContact CG2-CG2 3.74Å; V137-V194 HydrophobicContact CG1-CG1 3.89Å; V137-V194 HydrophobicContact CG2-CG1 4.36Å; V137-V194 HydrophobicContact CG2-CG2 3.76Å; V145-V194 HydrophobicContact CG2-CG1 3.72Å; T146-V194 WeakPolarHBondContact O-CA 3.37Å; I147-V194 HydrophobicContact CG1-CG2 4.35Å; I147-V194 HydrophobicContact CG2-CG2 4.43Å; V194-P202 WeakPolarHBondContact O-CA 3.37Å; V194-I203 HydrophobicContact CB-CB 4.38Å; V194-I203 PolarHBondContact N-O 2.75Å; V194-I203 PolarHBondContact O-N 2.89Å
195	E	97.4	Very high	95.9	Very high	94 Å²	94	60.8 Å²	60.8	44%	0.439	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.5	175.4	-57.6	176.6	123.2	0	0	109.4	T146 P202	T146-E195 PolarHBondContact N-O 3.01Å; T146-E195 PolarHBondContact O-N 3.36Å; E195-P202 HydrophobicContact CG-CB 4.15Å; E195-P202 HydrophobicContact CG-CG 4.2Å
196	H	97.6	Very high	96.1	Very high	12 Å²	12	62.8 Å²	62.8	6%	0.056	33%	0.334	C	S	.	.			trans	-154.9	139	-177.3	-179.7	-89.8	0	0	0	109.1	R113 P115 F140 Y141 P142 D144 V145 G198 A199	R113-H196 PolarHBondContact O-CE1 2.97Å; R113-H196 VanDerWaalsContact O-CE1 3.25Å; P115-H196 HydrophobicContact CG-CB 3.71Å; F140-H196 AromaticContact CD2-CD2 3.69Å; F140-H196 AromaticContact CD2-NE2 3.64Å; Y141-H196 PolarHBondContact O-CE1 3.32Å; P142-H196 PolarHBondContact O-NE2 3.1Å; D144-H196 PolarHBondContact O-CD2 3.04Å; V145-H196 HydrophobicContact CG2-CB 4.39Å; H196-G198 PolarHBondContact CE1-N 3.41Å; H196-G198 WeakPolarHBondContact ND1-CA 3.46Å; H196-G198 PolarHBondContact ND1-N 3.02Å; H196-G198 PolarHBondContact O-N 2.87Å; H196-A199 PolarHBondContact O-N 3.48Å
197	I	97.2	Very high	96.5	Very high	123 Å²	123	53.3 Å²	53.3	63%	0.631	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.7	-175.5	66.6	168.1	0	0	0	114.2	T112 P142 A199	T112-I197 HydrophobicContact CG2-CD1 3.95Å; T112-I197 HydrophobicContact CG2-CG1 3.98Å; P142-I197 VanDerWaalsContact CD-CD1 3.45Å; P142-I197 HydrophobicContact CG-CD1 3.5Å; P142-I197 VanDerWaalsContact CG-CD1 3.5Å; P142-I197 HydrophobicContact CG-CG1 3.99Å; I197-A199 VanDerWaalsContact C-N 3.3Å
198	G	96.6	Very high	96.8	Very high	15 Å²	15	54.3 Å²	54.3	16%	0.155	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.1	175.8	0	0	0	0	0	114.1	P114 H196	P114-G198 WeakPolarHBondContact CB-O 3.39Å; H196-G198 PolarHBondContact CE1-N 3.41Å; H196-G198 WeakPolarHBondContact ND1-CA 3.46Å; H196-G198 PolarHBondContact ND1-N 3.02Å; H196-G198 PolarHBondContact O-N 2.87Å
199	A	97.8	Very high	96.6	Very high	17 Å²	17	54.8 Å²	54.8	14%	0.14	30%	0.295	C	S	.	.	S	Bend	trans	-116.2	128.7	173.5	0	0	0	0	0	109.6	P114 H196 I197 E201 I203	P114-A199 HydrophobicContact CB-CB 4.44Å; H196-A199 PolarHBondContact O-N 3.48Å; I197-A199 VanDerWaalsContact C-N 3.3Å; A199-E201 VanDerWaalsContact C-N 3.26Å; A199-E201 PolarHBondContact O-N 2.88Å; A199-I203 HydrophobicContact CB-CD1 4.2Å; A199-I203 HydrophobicContact CB-CG1 4.19Å
200	P	96.2	Very high	96	Very high	131 Å²	131	55.9 Å²	55.9	85%	0.851	32%	0.315	S	S	*	.	S	Bend	trans	-68.7	-27.9	-178	27.7	-34.6	0	0	0	112.8
201	E	97.6	Very high	95	Very high	145 Å²	145	60.1 Å²	60.1	68%	0.678	34%	0.337	S	S	*	.	S	Bend	trans	-125.6	151.4	179.5	-64.7	-63.9	160.9	0	0	109.6	A199 I203	A199-E201 VanDerWaalsContact C-N 3.26Å; A199-E201 PolarHBondContact O-N 2.88Å; E201-I203 PolarHBondContact O-N 2.82Å
202	P	97.6	Very high	93.9	Very high	57 Å²	57	61.8 Å²	61.8	37%	0.37	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-57.4	135.8	175.7	-23.7	33.5	0	0	0	112.4	V193 V194 E195 L204	V193-P202 HydrophobicContact CG1-CB 4Å; V194-P202 WeakPolarHBondContact O-CA 3.37Å; E195-P202 HydrophobicContact CG-CB 4.15Å; E195-P202 HydrophobicContact CG-CG 4.2Å; P202-L204 PolarHBondContact O-N 3.12Å
203	I	98.3	Very high	92.9	Very high	28 Å²	28	67.3 Å²	67.3	14%	0.144	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	116.6	177.4	-53.7	-178.2	0	0	0	108.9	P115 V117 V194 A199 E201	P115-I203 HydrophobicContact CG-CD1 3.87Å; P115-I203 WeakPolarHBondContact O-CD1 3.38Å; V117-I203 HydrophobicContact CB-CG2 4.05Å; V117-I203 HydrophobicContact CG2-CB 4.14Å; V117-I203 HydrophobicContact CG2-CD1 4.23Å; V117-I203 HydrophobicContact CG2-CG2 3.78Å; V194-I203 HydrophobicContact CB-CB 4.38Å; V194-I203 PolarHBondContact N-O 2.75Å; V194-I203 PolarHBondContact O-N 2.89Å; A199-I203 HydrophobicContact CB-CD1 4.2Å; A199-I203 HydrophobicContact CB-CG1 4.19Å; E201-I203 PolarHBondContact O-N 2.82Å
204	L	98	Very high	92.1	Very high	92 Å²	92	72.7 Å²	72.7	48%	0.482	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.5	178.9	-53.7	178.8	0	0	0	110.9	T191 C192 V193 P202	T191-L204 HydrophobicContact CG2-CB 4.03Å; T191-L204 HydrophobicContact CG2-CD2 4.12Å; C192-L204 WeakPolarHBondContact O-CA 3.03Å; V193-L204 HydrophobicContact CB-CD2 4.03Å; V193-L204 HydrophobicContact CG1-CD2 3.75Å; V193-L204 HydrophobicContact CG2-CD2 3.62Å; P202-L204 PolarHBondContact O-N 3.12Å
205	R	97.7	Very high	91.4	Very high	115 Å²	115	77.2 Å²	77.2	43%	0.434	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	114	172.2	-70.9	-64.7	177.8	-101.5	4.3	111.1	V117 V119 T191 C192	V117-R205 HydrophobicContact CB-CG 3.84Å; V117-R205 HydrophobicContact CG1-CB 4.2Å; V117-R205 HydrophobicContact CG1-CG 3.64Å; V117-R205 PolarHBondContact O-NE 2.84Å; V117-R205 VanDerWaalsContact O-NE 3.12Å; V119-R205 HydrophobicContact CG2-CB 3.7Å; T191-R205 WeakPolarHBondContact CA-O 3.3Å; C192-R205 PolarHBondContact N-O 3.41Å; C192-R205 PolarHBondContact O-N 3.38Å
206	D	96.4	Very high	90.7	Very high	106 Å²	106	76.2 Å²	76.2	57%	0.567	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	148.5	-178.6	-63.3	-21.6	0	0	0	112	T189 Y190 T191	T189-D206 HydrophobicContact CG2-CB 4Å; Y190-D206 CarbonylContact O-C 3.49Å; Y190-D206 WeakPolarHBondContact O-CA 3.15Å; T191-D206 WeakPolarHBondContact CB-OD1 3.35Å; T191-D206 WeakPolarHBondContact CG2-OD1 3.32Å; T191-D206 PolarHBondContact OG1-OD1 2.62Å
207	W	95.5	Very high	90.2	Very high	33 Å²	33	80.6 Å²	80.6	13%	0.125	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	130.9	168	179.5	88.3	0	0	0	109.1	V119 Q121 V131 L133 L182 P184 Y190 P209	V119-W207 HydrophobicContact CB-CB 4.49Å; V119-W207 HydrophobicContact CG1-CB 3.73Å; V119-W207 HydrophobicContact CG1-CG 4.27Å; Q121-W207 HydrophobicContact CG-CZ2 3.99Å; V131-W207 HydrophobicContact CG1-CH2 4.27Å; L133-W207 HydrophobicContact CD1-CB 4.08Å; L133-W207 HydrophobicContact CD1-CD2 3.81Å; L133-W207 HydrophobicContact CD1-CE3 3.59Å; L133-W207 HydrophobicContact CD1-CG 4.01Å; L133-W207 HydrophobicContact CD1-CZ3 4.31Å; L133-W207 HydrophobicContact CD2-CD2 3.51Å; L133-W207 HydrophobicContact CD2-CE3 3.9Å; L133-W207 HydrophobicContact CD2-CG 3.83Å; L133-W207 HydrophobicContact CD2-CH2 4.42Å; L133-W207 HydrophobicContact CD2-CZ2 4.12Å; L133-W207 HydrophobicContact CD2-CZ3 4.32Å; L133-W207 HydrophobicContact CG-CD2 4.29Å; L133-W207 HydrophobicContact CG-CE3 4.28Å; L182-W207 HydrophobicContact CD1-CH2 4.43Å; L182-W207 HydrophobicContact CD1-CZ3 4.04Å; P184-W207 HydrophobicContact CB-CH2 4.09Å; P184-W207 HydrophobicContact CB-CZ3 4.35Å; Y190-W207 AromaticContact CD2-CE3 3.6Å; Y190-W207 HydrophobicContact CD2-CE3 3.6Å; Y190-W207 AromaticContact CD2-CZ3 3.65Å; Y190-W207 HydrophobicContact CD2-CZ3 3.65Å; Y190-W207 HydrophobicContact CE2-CE3 4.37Å; Y190-W207 AromaticContact CE2-CZ3 3.96Å; Y190-W207 HydrophobicContact CE2-CZ3 3.96Å; Y190-W207 HydrophobicContact CG-CE3 4.25Å; Y190-W207 PolarHBondContact N-O 2.86Å; Y190-W207 PolarHBondContact O-N 3.49Å; W207-P209 HydrophobicContact CH2-CB 4.12Å; W207-P209 HydrophobicContact CH2-CG 3.83Å; W207-P209 HydrophobicContact CZ3-CB 4.49Å; W207-P209 HydrophobicContact CZ3-CG 3.73Å
208	T	93.7	Very high	89.8	Confident	81 Å²	81	81.1 Å²	81.1	50%	0.497	45%	0.454	S	S	.	.			trans	-120.9	144.1	176.6	50.6	0	0	0	0	110.2	T189 G210	T189-T208 HydrophobicContact CG2-CG2 4.19Å; T208-G210 PolarHBondContact O-N 3.46Å
209	P	89.8	Confident	89.5	Confident	27 Å²	27	84.3 Å²	84.3	18%	0.175	47%	0.47	C	S	.	.	S	Bend	trans	-64.2	131.2	172.8	-22.4	34.6	0	0	0	111.6	P184 D188 W207	P184-P209 HydrophobicContact CB-CB 3.83Å; P184-P209 HydrophobicContact CB-CG 3.46Å; P184-P209 VanDerWaalsContact CB-CG 3.46Å; D188-P209 WeakPolarHBondContact O-CD 3.43Å; W207-P209 HydrophobicContact CH2-CB 4.12Å; W207-P209 HydrophobicContact CH2-CG 3.83Å; W207-P209 HydrophobicContact CZ3-CB 4.49Å; W207-P209 HydrophobicContact CZ3-CG 3.73Å
210	G	82.4	Confident	89.2	Confident	67 Å²	67	86.5 Å²	86.5	69%	0.691	49%	0.485	S	S	*	.	S	Bend	trans	130.5	-173.4	175.6	0	0	0	0	0	113.3	T208	T208-G210 PolarHBondContact O-N 3.46Å
211	L	75.2	Confident	89.1	Confident	95 Å²	95	84 Å²	84	50%	0.497	47%	0.467	S	S	.	.			trans	-78.9	138.4	173	-67.7	171.8	0	0	0	109.4	Q215 T216 V219	L211-Q215 HydrophobicContact CB-CB 3.97Å; L211-Q215 HydrophobicContact CD2-CB 3.99Å; L211-Q215 HydrophobicContact CG-CB 4.46Å; L211-T216 VanDerWaalsContact CB-OG1 3.31Å; L211-T216 WeakPolarHBondContact CB-OG1 3.31Å; L211-T216 PolarHBondContact O-OG1 2.76Å; L211-V219 HydrophobicContact CD1-CB 4.37Å; L211-V219 HydrophobicContact CD1-CG2 3.9Å
212	S	74.5	Confident	88.8	Confident	51 Å²	51	80.5 Å²	80.5	36%	0.357	46%	0.458	S	S	.	.			trans	-58.5	153.5	168.1	63.1	0	0	0	0	110.1	M214 Q215 T216	S212-M214 PolarHBondContact O-N 3.18Å; S212-M214 VanDerWaalsContact O-N 3.08Å; S212-Q215 CarbonylContact O-C 3.57Å; S212-Q215 WeakPolarHBondContact O-CA 3.44Å; S212-Q215 WeakPolarHBondContact O-CB 3.33Å; S212-Q215 PolarHBondContact O-N 3.44Å; S212-Q215 WeakPolarHBondContact OG-CB 3.24Å; S212-Q215 WeakPolarHBondContact OG-CG 3.43Å; S212-Q215 PolarHBondContact OG-N 2.84Å; S212-Q215 PolarHBondContact OG-OE1 3.41Å; S212-T216 PolarHBondContact O-N 2.84Å; S212-T216 PolarHBondContact O-OG1 3.08Å
213	P	78	Confident	88.7	Confident	116 Å²	116	80.7 Å²	80.7	75%	0.753	46%	0.464	S	S	*	.	H	α-helix	trans	-51.8	-38.6	-180	-28.1	34.6	0	0	0	113.4	T216 L217	P213-T216 PolarHBondContact O-N 3.19Å; P213-L217 WeakPolarHBondContact O-CB 3.22Å; P213-L217 PolarHBondContact O-N 3.35Å
214	M	79.3	Confident	88.6	Confident	122 Å²	122	83.4 Å²	83.4	60%	0.601	48%	0.482	S	S	*	.	H	α-helix	trans	-65.2	-41.5	175.6	-174.5	69.6	85.6	0	0	112.3	S212 K218	S212-M214 PolarHBondContact O-N 3.18Å; S212-M214 VanDerWaalsContact O-N 3.08Å; M214-K218 WeakPolarHBondContact O-CG 3.46Å; M214-K218 PolarHBondContact O-N 3.44Å
215	Q	81.9	Confident	88.5	Confident	95 Å²	95	83 Å²	83	44%	0.444	48%	0.483	S	S	.	.	H	α-helix	trans	-68.6	-40.8	175.4	-73.2	165.7	-42.4	0	0	111.4	L211 S212 L217 K218 V219	L211-Q215 HydrophobicContact CB-CB 3.97Å; L211-Q215 HydrophobicContact CD2-CB 3.99Å; L211-Q215 HydrophobicContact CG-CB 4.46Å; S212-Q215 CarbonylContact O-C 3.57Å; S212-Q215 WeakPolarHBondContact O-CA 3.44Å; S212-Q215 WeakPolarHBondContact O-CB 3.33Å; S212-Q215 PolarHBondContact O-N 3.44Å; S212-Q215 WeakPolarHBondContact OG-CB 3.24Å; S212-Q215 WeakPolarHBondContact OG-CG 3.43Å; S212-Q215 PolarHBondContact OG-N 2.84Å; S212-Q215 PolarHBondContact OG-OE1 3.41Å; Q215-L217 VanDerWaalsContact C-N 3.31Å; Q215-L217 PolarHBondContact O-N 3.46Å; Q215-K218 PolarHBondContact O-N 2.87Å; Q215-V219 WeakPolarHBondContact O-CG2 3.31Å; Q215-V219 PolarHBondContact O-N 2.87Å
216	T	82.8	Confident	88.4	Confident	73 Å²	73	83.1 Å²	83.1	45%	0.448	49%	0.492	S	S	.	.	H	α-helix	trans	-59.7	-43.2	175.2	-55.9	0	0	0	0	111	L211 S212 P213 V219 S220	L211-T216 VanDerWaalsContact CB-OG1 3.31Å; L211-T216 WeakPolarHBondContact CB-OG1 3.31Å; L211-T216 PolarHBondContact O-OG1 2.76Å; S212-T216 PolarHBondContact O-N 2.84Å; S212-T216 PolarHBondContact O-OG1 3.08Å; P213-T216 PolarHBondContact O-N 3.19Å; T216-V219 PolarHBondContact O-N 3.03Å; T216-S220 VanDerWaalsContact O-CB 3.24Å; T216-S220 WeakPolarHBondContact O-CB 3.38Å; T216-S220 PolarHBondContact O-N 3.44Å
217	L	88.3	Confident	88.4	Confident	103 Å²	103	79.5 Å²	79.5	54%	0.539	48%	0.48	S	S	.	.	H	α-helix	trans	-60.7	-48.2	173.7	-179.1	67.7	0	0	0	111.4	P213 Q215 V219 S220 V221	P213-L217 WeakPolarHBondContact O-CB 3.22Å; P213-L217 PolarHBondContact O-N 3.35Å; Q215-L217 VanDerWaalsContact C-N 3.31Å; Q215-L217 PolarHBondContact O-N 3.46Å; L217-V219 PolarHBondContact O-N 2.93Å; L217-S220 WeakPolarHBondContact O-CB 3.46Å; L217-S220 PolarHBondContact O-N 3.2Å; L217-V221 HydrophobicContact CD1-CG2 4.22Å; L217-V221 HydrophobicContact CG-CG2 4.4Å; L217-V221 WeakPolarHBondContact O-CB 3.48Å; L217-V221 VanDerWaalsContact O-CG2 3.29Å; L217-V221 WeakPolarHBondContact O-CG2 3.34Å; L217-V221 PolarHBondContact O-N 2.87Å
218	K	88.4	Confident	88.5	Confident	135 Å²	135	82.7 Å²	82.7	59%	0.587	50%	0.499	S	S	*	.	H	α-helix	trans	-60.1	-44.6	178.4	-75.8	-179.4	178.6	-173.6	0	112.2	M214 Q215 S222	M214-K218 WeakPolarHBondContact O-CG 3.46Å; M214-K218 PolarHBondContact O-N 3.44Å; Q215-K218 PolarHBondContact O-N 2.87Å; K218-S222 VanDerWaalsContact O-CB 3.31Å; K218-S222 WeakPolarHBondContact O-CB 3.29Å; K218-S222 PolarHBondContact O-N 3.48Å; K218-S222 PolarHBondContact O-OG 3.37Å
219	V	91.4	Very high	88.6	Confident	81 Å²	81	80.6 Å²	80.6	49%	0.491	49%	0.493	S	S	.	.	H	α-helix	trans	-64.2	-43.9	177.1	172.8	0	0	0	0	110.5	L211 Q215 T216 L217 S222 A223	L211-V219 HydrophobicContact CD1-CB 4.37Å; L211-V219 HydrophobicContact CD1-CG2 3.9Å; Q215-V219 WeakPolarHBondContact O-CG2 3.31Å; Q215-V219 PolarHBondContact O-N 2.87Å; T216-V219 PolarHBondContact O-N 3.03Å; L217-V219 PolarHBondContact O-N 2.93Å; V219-S222 PolarHBondContact O-N 3.04Å; V219-A223 WeakPolarHBondContact O-CB 3.48Å; V219-A223 PolarHBondContact O-N 3.35Å
220	S	90.1	Very high	88.9	Confident	64 Å²	64	84.2 Å²	84.2	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-59	-51.9	175.7	173.7	0	0	0	0	111.9	T216 L217 S222 A223 V224	T216-S220 VanDerWaalsContact O-CB 3.24Å; T216-S220 WeakPolarHBondContact O-CB 3.38Å; T216-S220 PolarHBondContact O-N 3.44Å; L217-S220 WeakPolarHBondContact O-CB 3.46Å; L217-S220 PolarHBondContact O-N 3.2Å; S220-S222 VanDerWaalsContact C-N 3.31Å; S220-S222 PolarHBondContact O-N 3.03Å; S220-A223 PolarHBondContact O-N 3.28Å; S220-V224 WeakPolarHBondContact O-CG2 3.36Å; S220-V224 PolarHBondContact O-N 2.97Å
221	V	94.1	Very high	89.5	Confident	79 Å²	79	85.6 Å²	85.6	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-59.3	-44.1	178	172.4	0	0	0	0	110.8	L217 A223 V224 T225	L217-V221 HydrophobicContact CD1-CG2 4.22Å; L217-V221 HydrophobicContact CG-CG2 4.4Å; L217-V221 WeakPolarHBondContact O-CB 3.48Å; L217-V221 VanDerWaalsContact O-CG2 3.29Å; L217-V221 WeakPolarHBondContact O-CG2 3.34Å; L217-V221 PolarHBondContact O-N 2.87Å; V221-A223 PolarHBondContact O-N 2.85Å; V221-V224 PolarHBondContact O-N 3.3Å; V221-T225 HydrophobicContact CG1-CG2 4.37Å; V221-T225 WeakPolarHBondContact O-CG2 3.27Å; V221-T225 PolarHBondContact O-N 3.46Å; V221-T225 PolarHBondContact O-OG1 2.96Å; V221-T225 VanDerWaalsContact O-OG1 3.06Å
222	S	91.9	Very high	90.5	Very high	70 Å²	70	86.9 Å²	86.9	49%	0.49	51%	0.507	S	S	.	.	H	α-helix	trans	-64.6	-38.5	178.9	-54.7	0	0	0	0	112.5	K218 V219 S220 T225 L226	K218-S222 VanDerWaalsContact O-CB 3.31Å; K218-S222 WeakPolarHBondContact O-CB 3.29Å; K218-S222 PolarHBondContact O-N 3.48Å; K218-S222 PolarHBondContact O-OG 3.37Å; V219-S222 PolarHBondContact O-N 3.04Å; S220-S222 VanDerWaalsContact C-N 3.31Å; S220-S222 PolarHBondContact O-N 3.03Å; S222-T225 WeakPolarHBondContact CA-OG1 3.49Å; S222-T225 PolarHBondContact O-OG1 2.67Å; S222-L226 VanDerWaalsContact O-CB 3.27Å; S222-L226 WeakPolarHBondContact O-CB 3.37Å; S222-L226 PolarHBondContact O-N 2.93Å
223	A	95.1	Very high	91.5	Very high	61 Å²	61	91 Å²	91	50%	0.504	52%	0.519	S	S	.	.	H	α-helix	trans	-67.9	-41.9	177.7	0	0	0	0	0	111.6	V219 S220 V221 G227	V219-A223 WeakPolarHBondContact O-CB 3.48Å; V219-A223 PolarHBondContact O-N 3.35Å; S220-A223 PolarHBondContact O-N 3.28Å; V221-A223 PolarHBondContact O-N 2.85Å; A223-G227 PolarHBondContact O-N 2.96Å
224	V	95.7	Very high	92.2	Very high	85 Å²	85	88 Å²	88	52%	0.515	50%	0.501	S	S	.	.	H	α-helix	trans	-66.4	-45	178	173.2	0	0	0	0	111.3	S220 V221 G227 L228	S220-V224 WeakPolarHBondContact O-CG2 3.36Å; S220-V224 PolarHBondContact O-N 2.97Å; V221-V224 PolarHBondContact O-N 3.3Å; V224-G227 PolarHBondContact O-N 2.97Å; V224-L228 HydrophobicContact CG1-CD1 4.01Å; V224-L228 WeakPolarHBondContact O-CG 3.35Å; V224-L228 PolarHBondContact O-N 3.38Å
225	T	95.7	Very high	93	Very high	83 Å²	83	87.3 Å²	87.3	51%	0.509	50%	0.499	S	S	.	.	H	α-helix	trans	-65	-40.8	178.7	54	0	0	0	0	111.8	V221 S222 L228 G229	V221-T225 HydrophobicContact CG1-CG2 4.37Å; V221-T225 WeakPolarHBondContact O-CG2 3.27Å; V221-T225 PolarHBondContact O-N 3.46Å; V221-T225 PolarHBondContact O-OG1 2.96Å; V221-T225 VanDerWaalsContact O-OG1 3.06Å; S222-T225 WeakPolarHBondContact CA-OG1 3.49Å; S222-T225 PolarHBondContact O-OG1 2.67Å; T225-L228 PolarHBondContact O-N 3.06Å; T225-G229 PolarHBondContact O-N 3.37Å
226	L	96.6	Very high	93.5	Very high	118 Å²	118	84.5 Å²	84.5	62%	0.618	50%	0.496	S	S	*	.	H	α-helix	trans	-62.7	-44	174.6	-173.6	67	0	0	0	111.4	S222 G229 L230	S222-L226 VanDerWaalsContact O-CB 3.27Å; S222-L226 WeakPolarHBondContact O-CB 3.37Å; S222-L226 PolarHBondContact O-N 2.93Å; L226-G229 PolarHBondContact O-N 3.31Å; L226-L230 HydrophobicContact CG-CD1 4.4Å; L226-L230 WeakPolarHBondContact O-CG 3.35Å; L226-L230 PolarHBondContact O-N 2.95Å
227	G	96.4	Very high	93.9	Very high	30 Å²	30	83.8 Å²	83.8	31%	0.309	49%	0.489	S	S	.	.	H	α-helix	trans	-59.7	-47.3	176.7	0	0	0	0	0	112.8	A223 V224 G229 L230 I231	A223-G227 PolarHBondContact O-N 2.96Å; V224-G227 PolarHBondContact O-N 2.97Å; G227-G229 PolarHBondContact O-N 2.93Å; G227-L230 PolarHBondContact O-N 2.9Å; G227-I231 WeakPolarHBondContact O-CG1 3.45Å; G227-I231 PolarHBondContact O-N 2.91Å; G227-I231 VanDerWaalsContact O-N 3.12Å
228	L	96.4	Very high	94	Very high	100 Å²	100	82.8 Å²	82.8	52%	0.524	48%	0.483	S	S	.	.	H	α-helix	trans	-62.2	-42.3	175.7	-74.1	167.1	0	0	0	112	V224 T225 L230 I231 I232	V224-L228 HydrophobicContact CG1-CD1 4.01Å; V224-L228 WeakPolarHBondContact O-CG 3.35Å; V224-L228 PolarHBondContact O-N 3.38Å; T225-L228 PolarHBondContact O-N 3.06Å; L228-L230 VanDerWaalsContact C-N 3.34Å; L228-L230 PolarHBondContact O-N 3.32Å; L228-I231 PolarHBondContact O-N 2.79Å; L228-I232 WeakPolarHBondContact O-CG1 3.33Å; L228-I232 PolarHBondContact O-N 2.92Å
229	G	95.9	Very high	93.9	Very high	37 Å²	37	79.7 Å²	79.7	38%	0.381	48%	0.478	S	S	.	.	H	α-helix	trans	-59.2	-43.2	176	0	0	0	0	0	112.6	T225 L226 G227 I231 I232 F233	T225-G229 PolarHBondContact O-N 3.37Å; L226-G229 PolarHBondContact O-N 3.31Å; G227-G229 PolarHBondContact O-N 2.93Å; G229-I231 PolarHBondContact O-N 3.44Å; G229-I232 PolarHBondContact O-N 3.42Å; G229-F233 VanDerWaalsContact O-CB 3.27Å; G229-F233 WeakPolarHBondContact O-CB 3.3Å; G229-F233 PolarHBondContact O-N 3.02Å
230	L	96.6	Very high	93.5	Very high	104 Å²	104	84.5 Å²	84.5	55%	0.545	49%	0.488	S	S	.	.	H	α-helix	trans	-65.1	-37.2	176.8	-71.5	171.6	0	0	0	112.6	L226 G227 L228 S234	L226-L230 HydrophobicContact CG-CD1 4.4Å; L226-L230 WeakPolarHBondContact O-CG 3.35Å; L226-L230 PolarHBondContact O-N 2.95Å; G227-L230 PolarHBondContact O-N 2.9Å; L228-L230 VanDerWaalsContact C-N 3.34Å; L228-L230 PolarHBondContact O-N 3.32Å; L230-S234 WeakPolarHBondContact O-CB 3.48Å; L230-S234 PolarHBondContact O-N 3.45Å; L230-S234 PolarHBondContact O-OG 2.94Å
231	I	96.3	Very high	93.1	Very high	96 Å²	96	90.1 Å²	90.1	49%	0.492	50%	0.499	S	S	.	.	H	α-helix	trans	-65.8	-47.8	176	-66.3	166	0	0	0	110.5	G227 L228 G229 F233 S234 L235	G227-I231 WeakPolarHBondContact O-CG1 3.45Å; G227-I231 PolarHBondContact O-N 2.91Å; G227-I231 VanDerWaalsContact O-N 3.12Å; L228-I231 PolarHBondContact O-N 2.79Å; G229-I231 PolarHBondContact O-N 3.44Å; I231-F233 VanDerWaalsContact C-N 3.33Å; I231-F233 PolarHBondContact O-N 3.5Å; I231-S234 WeakPolarHBondContact CA-OG 3.39Å; I231-S234 PolarHBondContact O-N 3.32Å; I231-S234 PolarHBondContact O-OG 3.49Å; I231-L235 HydrophobicContact CG2-CD1 4Å; I231-L235 HydrophobicContact CG2-CG 4.48Å; I231-L235 WeakPolarHBondContact O-CB 3.27Å; I231-L235 VanDerWaalsContact O-CG 3.3Å; I231-L235 WeakPolarHBondContact O-CG 3.42Å; I231-L235 PolarHBondContact O-N 2.99Å
232	I	95.6	Very high	92.3	Very high	121 Å²	121	95.2 Å²	95.2	62%	0.621	51%	0.51	S	S	*	.	H	α-helix	trans	-62.1	-44.1	178.5	-65.7	167.2	0	0	0	110.6	L228 G229 L235 G236	L228-I232 WeakPolarHBondContact O-CG1 3.33Å; L228-I232 PolarHBondContact O-N 2.92Å; G229-I232 PolarHBondContact O-N 3.42Å; I232-L235 PolarHBondContact O-N 3.4Å; I232-G236 PolarHBondContact O-N 3.27Å
233	F	94.9	Very high	91.2	Very high	138 Å²	138	95 Å²	95	61%	0.605	51%	0.513	S	S	*	.	H	α-helix	trans	-62.4	-44.7	178.7	-178.4	-109.1	0	0	0	112.4	G229 I231 G236 L237	G229-F233 VanDerWaalsContact O-CB 3.27Å; G229-F233 WeakPolarHBondContact O-CB 3.3Å; G229-F233 PolarHBondContact O-N 3.02Å; I231-F233 VanDerWaalsContact C-N 3.33Å; I231-F233 PolarHBondContact O-N 3.5Å; F233-G236 PolarHBondContact O-N 3.25Å; F233-L237 HydrophobicContact CD1-CD1 3.67Å; F233-L237 HydrophobicContact CE1-CD1 3.19Å; F233-L237 HydrophobicContact CE1-CG 4.43Å; F233-L237 HydrophobicContact CE2-CD1 4.22Å; F233-L237 HydrophobicContact CG-CD1 4.37Å; F233-L237 HydrophobicContact CZ-CD1 3.51Å; F233-L237 HydrophobicContact CZ-CG 4.39Å; F233-L237 WeakPolarHBondContact O-CB 3.36Å; F233-L237 PolarHBondContact O-N 3.12Å
234	S	94	Very high	89.5	Confident	53 Å²	53	95.6 Å²	95.6	37%	0.371	52%	0.524	S	S	.	.	H	α-helix	trans	-66.4	-40.7	177.9	51.9	0	0	0	0	112.5	L230 I231 G236 L237 I238	L230-S234 WeakPolarHBondContact O-CB 3.48Å; L230-S234 PolarHBondContact O-N 3.45Å; L230-S234 PolarHBondContact O-OG 2.94Å; I231-S234 WeakPolarHBondContact CA-OG 3.39Å; I231-S234 PolarHBondContact O-N 3.32Å; I231-S234 PolarHBondContact O-OG 3.49Å; S234-G236 VanDerWaalsContact C-N 3.35Å; S234-G236 PolarHBondContact O-N 2.94Å; S234-L237 WeakPolarHBondContact O-CB 3.49Å; S234-L237 PolarHBondContact O-N 2.94Å; S234-I238 VanDerWaalsContact O-CG1 3.27Å; S234-I238 WeakPolarHBondContact O-CG1 3.49Å; S234-I238 PolarHBondContact O-N 3.34Å
235	L	94.8	Very high	87.6	Confident	108 Å²	108	95.8 Å²	95.8	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-61.5	-42.5	172.8	-70.9	173.4	0	0	0	111.9	I231 I232 I238 S239	I231-L235 HydrophobicContact CG2-CD1 4Å; I231-L235 HydrophobicContact CG2-CG 4.48Å; I231-L235 WeakPolarHBondContact O-CB 3.27Å; I231-L235 VanDerWaalsContact O-CG 3.3Å; I231-L235 WeakPolarHBondContact O-CG 3.42Å; I231-L235 PolarHBondContact O-N 2.99Å; I232-L235 PolarHBondContact O-N 3.4Å; L235-I238 PolarHBondContact O-N 2.95Å; L235-S239 PolarHBondContact O-N 3.35Å; L235-S239 PolarHBondContact O-OG 2.93Å
236	G	91.8	Very high	85.5	Confident	36 Å²	36	96.5 Å²	96.5	37%	0.371	54%	0.538	S	S	.	.	H	α-helix	trans	-62.4	-39.9	174	0	0	0	0	0	113.2	I232 F233 S234 S239 W240	I232-G236 PolarHBondContact O-N 3.27Å; F233-G236 PolarHBondContact O-N 3.25Å; S234-G236 VanDerWaalsContact C-N 3.35Å; S234-G236 PolarHBondContact O-N 2.94Å; G236-S239 PolarHBondContact O-OG 3.49Å; G236-W240 WeakPolarHBondContact O-CB 3.37Å; G236-W240 PolarHBondContact O-N 3.43Å
237	L	92.1	Very high	83.5	Confident	57 Å²	57	95.7 Å²	95.7	30%	0.298	54%	0.542	S	S	.	.	H	α-helix	trans	-64.5	-42.2	174.5	-99.8	155.5	0	0	0	112.4	F233 S234 W240 R241	F233-L237 HydrophobicContact CD1-CD1 3.67Å; F233-L237 HydrophobicContact CE1-CD1 3.19Å; F233-L237 HydrophobicContact CE1-CG 4.43Å; F233-L237 HydrophobicContact CE2-CD1 4.22Å; F233-L237 HydrophobicContact CG-CD1 4.37Å; F233-L237 HydrophobicContact CZ-CD1 3.51Å; F233-L237 HydrophobicContact CZ-CG 4.39Å; F233-L237 WeakPolarHBondContact O-CB 3.36Å; F233-L237 PolarHBondContact O-N 3.12Å; S234-L237 WeakPolarHBondContact O-CB 3.49Å; S234-L237 PolarHBondContact O-N 2.94Å; L237-W240 HydrophobicContact CD2-CE3 4.43Å; L237-R241 WeakPolarHBondContact O-CG 3.47Å; L237-R241 PolarHBondContact O-N 2.97Å
238	I	90.5	Very high	81.6	Confident	82 Å²	82	102.5 Å²	102.5	42%	0.421	56%	0.56	S	S	.	*	H	α-helix	trans	-66	-45	178.2	-67.7	163.5	0	0	0	110.3	S234 L235 R241 R242	S234-I238 VanDerWaalsContact O-CG1 3.27Å; S234-I238 WeakPolarHBondContact O-CG1 3.49Å; S234-I238 PolarHBondContact O-N 3.34Å; L235-I238 PolarHBondContact O-N 2.95Å; I238-R241 PolarHBondContact O-N 3.24Å; I238-R242 WeakPolarHBondContact O-CB 3.32Å; I238-R242 WeakPolarHBondContact O-CG 3.4Å; I238-R242 PolarHBondContact O-N 3.32Å
239	S	86.8	Confident	79.8	Confident	70 Å²	70	103.7 Å²	103.7	49%	0.49	57%	0.571	S	S	.	*	H	α-helix	trans	-64.6	-40.7	178.5	67.5	0	0	0	0	111.7	L235 G236 R242 A243	L235-S239 PolarHBondContact O-N 3.35Å; L235-S239 PolarHBondContact O-OG 2.93Å; G236-S239 PolarHBondContact O-OG 3.49Å; S239-R242 PolarHBondContact O-N 3.3Å; S239-A243 WeakPolarHBondContact O-CB 3.27Å; S239-A243 PolarHBondContact O-N 3.38Å
240	W	83.3	Confident	77.9	Confident	183 Å²	183	106 Å²	106	69%	0.693	58%	0.58	S	S	*	*	H	α-helix	trans	-62.5	-45.2	174.8	179	62.8	0	0	0	112.6	G236 L237 R242 A243 G244	G236-W240 WeakPolarHBondContact O-CB 3.37Å; G236-W240 PolarHBondContact O-N 3.43Å; L237-W240 HydrophobicContact CD2-CE3 4.43Å; W240-R242 VanDerWaalsContact C-N 3.34Å; W240-R242 PolarHBondContact O-N 3.2Å; W240-A243 PolarHBondContact O-N 2.92Å; W240-G244 PolarHBondContact O-N 2.81Å
241	R	80.8	Confident	76.1	Confident	181 Å²	181	107.4 Å²	107.4	68%	0.683	59%	0.587	S	S	*	*	H	α-helix	trans	-61.3	-41.5	174.7	-74.4	-177.6	-178.2	-167.6	1.5	112.1	L237 I238 G244 S245	L237-R241 WeakPolarHBondContact O-CG 3.47Å; L237-R241 PolarHBondContact O-N 2.97Å; I238-R241 PolarHBondContact O-N 3.24Å; R241-G244 PolarHBondContact O-N 3.2Å; R241-S245 PolarHBondContact O-N 3.26Å; R241-S245 PolarHBondContact O-OG 3.45Å
242	R	77	Confident	74.1	Confident	186 Å²	186	109.2 Å²	109.2	70%	0.702	61%	0.605	S	S	*	*	H	α-helix	trans	-65.3	-38.3	176.2	-75.1	-178	-179.6	-179.5	1.4	112.3	I238 S239 W240 S245 S246	I238-R242 WeakPolarHBondContact O-CB 3.32Å; I238-R242 WeakPolarHBondContact O-CG 3.4Å; I238-R242 PolarHBondContact O-N 3.32Å; S239-R242 PolarHBondContact O-N 3.3Å; W240-R242 VanDerWaalsContact C-N 3.34Å; W240-R242 PolarHBondContact O-N 3.2Å; R242-S245 WeakPolarHBondContact CA-OG 3.37Å; R242-S245 PolarHBondContact O-N 2.86Å; R242-S245 PolarHBondContact O-OG 3.3Å; R242-S246 PolarHBondContact O-N 2.96Å
243	A	70	Confident	72.4	Confident	67 Å²	67	106.9 Å²	106.9	55%	0.554	61%	0.611	S	S	*	*	H	α-helix	trans	-67.5	-38.7	175.4	0	0	0	0	0	112.1	S239 W240 S245 S246	S239-A243 WeakPolarHBondContact O-CB 3.27Å; S239-A243 PolarHBondContact O-N 3.38Å; W240-A243 PolarHBondContact O-N 2.92Å; A243-S245 PolarHBondContact O-N 2.94Å; A243-S246 WeakPolarHBondContact O-CB 3.37Å; A243-S246 PolarHBondContact O-N 3.37Å; A243-S246 VanDerWaalsContact O-N 3.14Å
244	G	59.4	Low	70.4	Confident	72 Å²	72	102.8 Å²	102.8	74%	0.742	60%	0.599	S	S	*	*	H	α-helix	trans	-65.8	-20.7	173.4	0	0	0	0	0	114.4	W240 R241	W240-G244 PolarHBondContact O-N 2.81Å; R241-G244 PolarHBondContact O-N 3.2Å
245	S	55.9	Low	68.8	Low	89 Å²	89	107.9 Å²	107.9	62%	0.622	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	5.5	173.1	54.6	0	0	0	0	114.4	R241 R242 A243 S247	R241-S245 PolarHBondContact O-N 3.26Å; R241-S245 PolarHBondContact O-OG 3.45Å; R242-S245 WeakPolarHBondContact CA-OG 3.37Å; R242-S245 PolarHBondContact O-N 2.86Å; R242-S245 PolarHBondContact O-OG 3.3Å; A243-S245 PolarHBondContact O-N 2.94Å; S245-S247 PolarHBondContact O-N 2.94Å
246	S	50.5	Low	66.6	Low	98 Å²	98	112.9 Å²	112.9	69%	0.685	64%	0.635	S	S	*	*			trans	-70.5	97.5	173.4	-169.8	0	0	0	0	108.8	R242 A243 Y248	R242-S246 PolarHBondContact O-N 2.96Å; A243-S246 WeakPolarHBondContact O-CB 3.37Å; A243-S246 PolarHBondContact O-N 3.37Å; A243-S246 VanDerWaalsContact O-N 3.14Å; S246-Y248 PolarHBondContact O-N 3.29Å
247	S	54.8	Low	64.7	Low	101 Å²	101	116.8 Å²	116.8	71%	0.706	65%	0.654	S	S	*	*			trans	-53.2	122.4	170.2	-165.9	0	0	0	0	108.5	S245 T249	S245-S247 PolarHBondContact O-N 2.94Å; S247-T249 PolarHBondContact O-N 3.22Å
248	Y	56.8	Low	62.8	Low	173 Å²	173	123.3 Å²	123.3	68%	0.678	68%	0.683	S	S	*	*			trans	-51	111.5	172.2	-176.3	-94.3	0	0	0	108.8	S246 P250	S246-Y248 PolarHBondContact O-N 3.29Å; Y248-P250 HydrophobicContact CD1-CB 4.41Å; Y248-P250 HydrophobicContact CE1-CB 4.09Å; Y248-P250 WeakPolarHBondContact O-CD 3.38Å
249	T	57.3	Low	60.7	Low	126 Å²	126	122.8 Å²	122.8	77%	0.773	70%	0.698	S	S	*	*			trans	-81.4	112.3	166.1	32.6	0	0	0	0	107.6	S247 L251	S247-T249 PolarHBondContact O-N 3.22Å; T249-L251 PolarHBondContact O-N 3.14Å
250	P	57.8	Low	58.6	Low	85 Å²	85	130.6 Å²	130.6	55%	0.552	72%	0.716	S	S	*	*			trans	-65.1	137.7	177.7	2.6	7.9	0	0	0	109.7	Y248 S254	Y248-P250 HydrophobicContact CD1-CB 4.41Å; Y248-P250 HydrophobicContact CE1-CB 4.09Å; Y248-P250 WeakPolarHBondContact O-CD 3.38Å; P250-S254 WeakPolarHBondContact CB-OG 3.46Å
251	L	58.5	Low	56.8	Low	133 Å²	133	131.1 Å²	131.1	70%	0.696	73%	0.726	S	S	*	*			trans	-66	144.1	170.4	-73.5	162.2	0	0	0	109.3	T249 G253 S254	T249-L251 PolarHBondContact O-N 3.14Å; L251-G253 PolarHBondContact O-N 3.24Å; L251-S254 PolarHBondContact O-N 3.38Å
252	P	53.1	Low	54.9	Low	135 Å²	135	129.8 Å²	129.8	88%	0.877	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	110.7	175.7	-18.9	29.7	0	0	0	110
253	G	60.1	Low	53.4	Low	72 Å²	72	129.9 Å²	129.9	74%	0.742	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	112.9	5.5	179.5	0	0	0	0	0	117.2	L251	L251-G253 PolarHBondContact O-N 3.24Å
254	S	53.1	Low	52.6	Low	51 Å²	51	133 Å²	133	36%	0.357	77%	0.77	S	S	.	*			trans	-81.1	124.7	175.3	70.6	0	0	0	0	113	P250 L251	P250-S254 WeakPolarHBondContact CB-OG 3.46Å; L251-S254 PolarHBondContact O-N 3.38Å
255	N	60.2	Low	52.2	Low	160 Å²	160	136.2 Å²	136.2	86%	0.856	77%	0.772	S	S	*	*			trans	-104.3	46.2	-179.7	-66.9	-27.1	0	0	0	113.6
256	Y	49.4	Very low	52	Low	213 Å²	213	138.8 Å²	138.8	84%	0.835	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-87.3	128.6	172	-87.8	-83.8	0	0	0	110.5
257	P	50.7	Low	52.1	Low	118 Å²	118	141.2 Å²	141.2	77%	0.766	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-71.3	130.8	179.2	27.2	-30.9	0	0	0	110.5	G259	P257-G259 PolarHBondContact O-N 3Å
258	E	53.5	Low	51.9	Low	195 Å²	195	143.8 Å²	143.8	91%	0.911	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-55.4	122	173	-78.4	-175.3	155	0	0	110.7	R260	E258-R260 PolarHBondContact O-N 2.95Å
259	G	46.8	Very low	51.6	Low	71 Å²	71	141.8 Å²	141.8	73%	0.732	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-67.1	116.7	168.7	0	0	0	0	0	110	P257 H261	P257-G259 PolarHBondContact O-N 3Å; G259-H261 PolarHBondContact O-N 3.22Å
260	R	41.4	Very low	51.2	Low	233 Å²	233	142.9 Å²	142.9	88%	0.879	80%	0.8	S	S	*	*			trans	-36.2	125	170.2	-91.6	174	175.8	165.8	-0.8	112.9	E258 I262	E258-R260 PolarHBondContact O-N 2.95Å; R260-I262 PolarHBondContact O-N 3.5Å
261	H	45.2	Very low	50.7	Low	195 Å²	195	147.4 Å²	147.4	90%	0.903	82%	0.819	S	S	*	*			trans	-58.2	116.9	153.6	-78.1	-85.8	0	0	0	109.1	G259	G259-H261 PolarHBondContact O-N 3.22Å
262	I	41.1	Very low	50	Low	152 Å²	152	148.6 Å²	148.6	78%	0.779	83%	0.829	S	S	*	*			trans	-104.9	130.6	159.1	-54.7	176.9	0	0	0	105.9	R260	R260-I262 PolarHBondContact O-N 3.5Å
263	S	45.9	Very low	49.8	Very low	188 Å²	188	149.8 Å²	149.8	100%	1.315	83%	0.825	S	S	*	*			trans	-53.5	0	176.5	-40.1	0	0	0	0	113.2

Retrieved 263 of 263 residues in 105.5 ms (Link to these results)

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