A0A077ZI59_TRITR Loading...

Mitochondrial peptide methionine sulfoxide reductase

Has an important function as a repair enzyme for proteins that have been inactivated by oxidation. Catalyzes the reversible oxidation-reduction of methionine sulfoxide in proteins to methionine.

AlphaFold DB , UniProt , Accession A0A077ZI59, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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	37.3	Very low	40.3	Very low	245 Å²	245	155.9 Å²	155.9	100%	1.207	80%	0.8	S	S	*	*				0	92.2	0	-93.7	172.2	173.1	0	0	105.9
2	T	34.7	Very low	41.3	Very low	144 Å²	144	156.5 Å²	156.5	88%	0.883	80%	0.804	S	S	*	*			trans	-101.9	110.5	-176.5	-12.2	0	0	0	0	108.1
3	D	37.6	Very low	42.5	Very low	148 Å²	148	157.7 Å²	157.7	79%	0.791	80%	0.8	S	S	*	*			trans	40.9	112.7	149.2	-108	-25.7	0	0	0	119.8	R5	D3-R5 PolarHBondContact O-N 3.2Å; D3-R5 VanDerWaalsContact O-N 3.08Å
4	F	39.1	Very low	44.4	Very low	203 Å²	203	150.5 Å²	150.5	89%	0.89	77%	0.765	S	S	*	*			trans	-58.6	107.2	157.5	-94.7	-105.3	0	0	0	107.9	E6	F4-E6 VanDerWaalsContact C-N 3.35Å; F4-E6 PolarHBondContact O-N 3.37Å
5	R	40.1	Very low	46.4	Very low	239 Å²	239	145.6 Å²	145.6	90%	0.902	74%	0.736	S	S	*	*			trans	-63.6	104.1	157.6	-75.3	-179.2	175.5	171.3	-2.7	106.5	D3 S7	D3-R5 PolarHBondContact O-N 3.2Å; D3-R5 VanDerWaalsContact O-N 3.08Å; R5-S7 PolarHBondContact O-N 3.34Å
6	E	38.5	Very low	48.8	Very low	186 Å²	186	146.2 Å²	146.2	87%	0.869	73%	0.732	S	S	*	*			trans	-54.6	101.6	156.3	-80.2	-179.4	146.2	0	0	106.3	F4 D8	F4-E6 VanDerWaalsContact C-N 3.35Å; F4-E6 PolarHBondContact O-N 3.37Å; E6-D8 PolarHBondContact O-N 3.31Å
7	S	39.2	Very low	51.2	Low	97 Å²	97	143.7 Å²	143.7	68%	0.678	72%	0.718	S	S	*	*			trans	-60.2	93.8	159.4	162.3	0	0	0	0	105.2	R5 T9	R5-S7 PolarHBondContact O-N 3.34Å; S7-T9 PolarHBondContact O-N 2.98Å; S7-T9 PolarHBondContact O-OG1 3.05Å
8	D	42.8	Very low	53.6	Low	143 Å²	143	139.3 Å²	139.3	77%	0.765	70%	0.696	S	S	*	*			trans	-55.9	87.6	164	-122.2	-11.6	0	0	0	106.3	E6 M10	E6-D8 PolarHBondContact O-N 3.31Å; D8-M10 PolarHBondContact O-N 3.36Å
9	T	42.6	Very low	55.8	Low	116 Å²	116	133.2 Å²	133.2	71%	0.712	67%	0.667	S	S	*	*			trans	-75.8	79.3	169.8	-45.9	0	0	0	0	102.3	S7 S11	S7-T9 PolarHBondContact O-N 2.98Å; S7-T9 PolarHBondContact O-OG1 3.05Å; T9-S11 PolarHBondContact O-N 3.35Å
10	M	45.9	Very low	57.7	Low	125 Å²	125	128.8 Å²	128.8	62%	0.616	65%	0.649	S	S	*	*			trans	-49.5	111.9	167.6	-83.2	-166.6	163.7	0	0	105.1	D8 L12	D8-M10 PolarHBondContact O-N 3.36Å; M10-L12 PolarHBondContact O-N 3.32Å
11	S	45.6	Very low	59.5	Low	69 Å²	69	126.8 Å²	126.8	48%	0.483	65%	0.646	S	S	.	*			trans	-50.8	129.7	-179.8	173.3	0	0	0	0	106.9	T9 F13 D14	T9-S11 PolarHBondContact O-N 3.35Å; S11-F13 PolarHBondContact O-N 2.94Å; S11-F13 PolarHBondContact OG-N 3.1Å; S11-D14 PolarHBondContact O-N 3.37Å
12	L	52.5	Low	62.3	Low	163 Å²	163	119.6 Å²	119.6	85%	0.853	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-1.1	174.3	-73.7	161.7	0	0	0	113.5	M10	M10-L12 PolarHBondContact O-N 3.32Å
13	F	57.2	Low	65.2	Low	172 Å²	172	118.5 Å²	118.5	75%	0.754	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.5	8.2	179	-59.9	-77.3	0	0	0	114	S11 K15	S11-F13 PolarHBondContact O-N 2.94Å; S11-F13 PolarHBondContact OG-N 3.1Å; F13-K15 VanDerWaalsContact C-N 3.34Å; F13-K15 PolarHBondContact O-N 2.93Å
14	D	68.4	Low	68	Low	57 Å²	57	112.3 Å²	112.3	31%	0.305	58%	0.583	S	S	.	*			trans	-77.5	82.3	179.2	-171.2	9.9	0	0	0	112.3	S11 K16 H17	S11-D14 PolarHBondContact O-N 3.37Å; D14-K16 PolarHBondContact O-N 2.82Å; D14-K16 VanDerWaalsContact O-N 3.14Å; D14-K16 WeakPolarHBondContact OD1-CB 3.44Å; D14-K16 WeakPolarHBondContact OD1-CG 3.43Å; D14-K16 PolarHBondContact OD1-N 3.12Å; D14-H17 IonicContact OD1-ND1 3.42Å; D14-H17 IonicContact OD2-CE1 3.66Å; D14-H17 PolarHBondContact OD2-CE1 3.05Å; D14-H17 IonicContact OD2-CG 2.81Å; D14-H17 IonicContact OD2-ND1 3.63Å; D14-H17 PolarHBondContact OD2-ND1 2.92Å
15	K	75	Confident	70.8	Confident	77 Å²	77	105.3 Å²	105.3	34%	0.335	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.9	11.1	175.6	-54.7	-167.9	179.4	-171.6	0	114.1	F13 C96 S97 T142	F13-K15 VanDerWaalsContact C-N 3.34Å; F13-K15 PolarHBondContact O-N 2.93Å; K15-C96 PolarHBondContact NZ-O 3.11Å; K15-S97 WeakPolarHBondContact CE-O 3.42Å; K15-T142 WeakPolarHBondContact O-CG2 3.25Å; K15-T142 PolarHBondContact O-N 2.91Å
16	K	83.9	Confident	73.5	Confident	155 Å²	155	99.4 Å²	99.4	67%	0.674	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-12.9	176.2	-58.3	178.9	178.7	177.9	0	112.7	D14 M134	D14-K16 PolarHBondContact O-N 2.82Å; D14-K16 VanDerWaalsContact O-N 3.14Å; D14-K16 WeakPolarHBondContact OD1-CB 3.44Å; D14-K16 WeakPolarHBondContact OD1-CG 3.43Å; D14-K16 PolarHBondContact OD1-N 3.12Å; K16-M134 VanDerWaalsContact O-CG 3.27Å; K16-M134 WeakPolarHBondContact O-CG 3.37Å
17	H	90.5	Very high	76.3	Confident	104 Å²	104	91.5 Å²	91.5	48%	0.481	52%	0.516	S	S	.	.	S	Bend	trans	-124.2	144.5	-179	-59.5	102.1	0	0	0	110.4	D14 T142	D14-H17 IonicContact OD1-ND1 3.42Å; D14-H17 IonicContact OD2-CE1 3.66Å; D14-H17 PolarHBondContact OD2-CE1 3.05Å; D14-H17 IonicContact OD2-CG 2.81Å; D14-H17 IonicContact OD2-ND1 3.63Å; D14-H17 PolarHBondContact OD2-ND1 2.92Å; H17-T142 VanDerWaalsContact C-CG2 3.49Å; H17-T142 VanDerWaalsContact O-CG2 3.25Å; H17-T142 WeakPolarHBondContact O-CG2 3.44Å
18	L	93.8	Very high	79	Confident	64 Å²	64	90.4 Å²	90.4	34%	0.335	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-67.1	136.9	173.2	-72.5	166.9	0	0	0	109.7	M134 T142	L18-M134 HydrophobicContact CG-CE 4.48Å; L18-T142 HydrophobicContact CD2-CG2 4.06Å; L18-T142 HydrophobicContact CG-CG2 4.35Å
19	V	95.3	Very high	81.5	Confident	23 Å²	23	91 Å²	91	14%	0.139	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-58	147.3	169.9	69.2	0	0	0	0	110.2	D23 A24 Y86	V19-D23 HydrophobicContact CG2-CB 3.83Å; V19-A24 HydrophobicContact CG1-CB 4.02Å; V19-Y86 HydrophobicContact CG1-CD2 4.31Å; V19-Y86 HydrophobicContact CG1-CE2 4.47Å; V19-Y86 WeakPolarHBondContact O-CE2 3.48Å
20	S	95	Very high	84.1	Confident	45 Å²	45	90.4 Å²	90.4	32%	0.315	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-70.4	152.8	172.8	93	0	0	0	0	110.5	A22 D23 A24	S20-A22 PolarHBondContact O-N 3.13Å; S20-A22 VanDerWaalsContact O-N 3.13Å; S20-A22 PolarHBondContact OG-N 3.2Å; S20-D23 PolarHBondContact O-N 2.86Å; S20-D23 VanDerWaalsContact O-N 3.11Å; S20-D23 VanDerWaalsContact OG-CG 3.28Å; S20-D23 PolarHBondContact OG-N 2.7Å; S20-D23 VanDerWaalsContact OG-N 3.17Å; S20-D23 PolarHBondContact OG-OD2 2.9Å; S20-A24 PolarHBondContact O-N 3.03Å
21	P	94.3	Very high	86.4	Confident	88 Å²	88	88.4 Å²	88.4	57%	0.571	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.2	173.5	-23.8	30.8	0	0	0	114	Y86	P21-Y86 HydrophobicContact CB-CD1 4.16Å; P21-Y86 HydrophobicContact CB-CD2 4.45Å; P21-Y86 HydrophobicContact CB-CE1 4.27Å; P21-Y86 HydrophobicContact CB-CG 4.25Å; P21-Y86 HydrophobicContact CG-CD1 4.14Å; P21-Y86 HydrophobicContact CG-CD2 4.46Å; P21-Y86 HydrophobicContact CG-CE1 3.74Å; P21-Y86 HydrophobicContact CG-CE2 4.07Å; P21-Y86 HydrophobicContact CG-CG 4.49Å
22	A	96.2	Very high	88.7	Confident	94 Å²	94	86.8 Å²	86.8	78%	0.777	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-26.4	-179.4	0	0	0	0	0	112.9	S20	S20-A22 PolarHBondContact O-N 3.13Å; S20-A22 VanDerWaalsContact O-N 3.13Å; S20-A22 PolarHBondContact OG-N 3.2Å
23	D	96	Very high	90.7	Very high	121 Å²	121	84.3 Å²	84.3	65%	0.647	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-4.8	-178.3	-55.8	-52.2	0	0	0	112.5	V19 S20	V19-D23 HydrophobicContact CG2-CB 3.83Å; S20-D23 PolarHBondContact O-N 2.86Å; S20-D23 VanDerWaalsContact O-N 3.11Å; S20-D23 VanDerWaalsContact OG-CG 3.28Å; S20-D23 PolarHBondContact OG-N 2.7Å; S20-D23 VanDerWaalsContact OG-N 3.17Å; S20-D23 PolarHBondContact OG-OD2 2.9Å
24	A	97.2	Very high	92.6	Very high	18 Å²	18	78.3 Å²	78.3	15%	0.149	45%	0.449	C	S	.	.	S	Bend	trans	-65.4	148.4	178.9	0	0	0	0	0	111.9	V19 S20 Y86 D99	V19-A24 HydrophobicContact CG1-CB 4.02Å; S20-A24 PolarHBondContact O-N 3.03Å; A24-Y86 HydrophobicContact CB-CD2 3.96Å; A24-Y86 HydrophobicContact CB-CG 4.36Å; A24-D99 CarbonylContact C-O 3.27Å; A24-D99 VanDerWaalsContact CA-O 3.24Å; A24-D99 WeakPolarHBondContact CA-O 3.44Å
25	L	97.6	Very high	93.8	Very high	55 Å²	55	77.3 Å²	77.3	29%	0.288	45%	0.449	S	S	.	.			trans	-58.1	142	177.2	-68.9	172.6	0	0	0	110.8	G27 T87 E94 D99 T100	L25-G27 PolarHBondContact O-N 3.39Å; L25-T87 HydrophobicContact CB-CG2 4.02Å; L25-T87 PolarHBondContact N-OG1 2.96Å; L25-T87 WeakPolarHBondContact O-CB 3.31Å; L25-T87 VanDerWaalsContact O-CG2 3.29Å; L25-T87 WeakPolarHBondContact O-CG2 3.43Å; L25-T87 PolarHBondContact O-OG1 3.46Å; L25-E94 HydrophobicContact CD1-CB 3.73Å; L25-E94 HydrophobicContact CD1-CG 3.86Å; L25-D99 HydrophobicContact CD1-CB 3.97Å; L25-D99 HydrophobicContact CD2-CB 4.47Å; L25-D99 HydrophobicContact CG-CB 3.75Å; L25-D99 PolarHBondContact N-O 2.84Å; L25-T100 HydrophobicContact CD1-CG2 4.16Å
26	P	96.8	Very high	94.8	Very high	115 Å²	115	78.8 Å²	78.8	75%	0.747	47%	0.465	S	S	*	.			trans	-70.6	-18.6	-174.7	28.3	-36.2	0	0	0	113.5	P88	P26-P88 WeakPolarHBondContact O-CD 3.3Å; P26-P88 WeakPolarHBondContact O-CG 3.39Å
27	G	95.9	Very high	95.5	Very high	21 Å²	21	76.1 Å²	76.1	22%	0.216	46%	0.457	C	S	.	.			trans	66.5	-146.9	179.4	0	0	0	0	0	112.7	L25 P88	L25-G27 PolarHBondContact O-N 3.39Å; G27-P88 VanDerWaalsContact CA-O 3.3Å; G27-P88 WeakPolarHBondContact CA-O 3.39Å
28	R	96.6	Very high	95.9	Very high	73 Å²	73	71.3 Å²	71.3	28%	0.275	44%	0.435	S	S	.	.			trans	-151.2	161.4	-177.3	61.8	-170.3	59.9	78.2	9.8	112	T30 P88 N89 E94	R28-T30 WeakPolarHBondContact CG-O 3.32Å; R28-P88 PolarHBondContact N-O 3.45Å; R28-N89 WeakPolarHBondContact CD-O 3.35Å; R28-N89 HydrophobicContact CG-CB 3.65Å; R28-N89 WeakPolarHBondContact CG-O 3.33Å; R28-N89 PolarHBondContact NH1-O 2.87Å; R28-N89 PolarHBondContact O-ND2 2.93Å; R28-E94 IonicContact CZ-OE1 3.8Å; R28-E94 IonicContact CZ-OE2 3.31Å; R28-E94 VanDerWaalsContact CZ-OE2 3.31Å; R28-E94 IonicContact NH1-OE1 3.94Å; R28-E94 IonicContact NH1-OE2 2.77Å; R28-E94 PolarHBondContact NH1-OE2 3.37Å; R28-E94 IonicContact NH2-OE1 2.8Å; R28-E94 PolarHBondContact NH2-OE1 3.17Å; R28-E94 IonicContact NH2-OE2 2.89Å; R28-E94 PolarHBondContact NH2-OE2 2.89Å
29	N	95.7	Very high	96.1	Very high	157 Å²	157	70.4 Å²	70.4	84%	0.84	44%	0.437	S	S	*	.	S	Bend	trans	-83.2	-22.6	176.9	-66.8	-30.9	0	0	0	113.5	P31 N89	N29-P31 WeakPolarHBondContact O-CD 3.18Å; N29-N89 PolarHBondContact O-ND2 3.48Å
30	T	96.3	Very high	96.2	Very high	103 Å²	103	71.8 Å²	71.8	63%	0.632	45%	0.445	S	S	*	.	S	Bend	trans	-89.8	119.6	-176.3	-53	0	0	0	0	110.4	R28 N89	R28-T30 WeakPolarHBondContact CG-O 3.32Å; T30-N89 WeakPolarHBondContact O-CB 3.33Å
31	P	95	Very high	96.2	Very high	83 Å²	83	72.1 Å²	72.1	54%	0.539	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-63.6	157.4	173.9	-20.4	33.4	0	0	0	112.8	N29 N89	N29-P31 WeakPolarHBondContact O-CD 3.18Å; P31-N89 VanDerWaalsContact CA-OD1 3.27Å; P31-N89 WeakPolarHBondContact CA-OD1 3.44Å
32	M	93.6	Very high	96.3	Very high	34 Å²	34	69.9 Å²	69.9	17%	0.167	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-62.4	140.5	170	-68.9	-56.7	102.7	0	0	110.2	V34 Y191 E193	M32-V34 WeakPolarHBondContact O-CG2 3.23Å; M32-V34 PolarHBondContact O-N 2.93Å; M32-Y191 WeakPolarHBondContact CB-O 3.24Å; M32-Y191 WeakPolarHBondContact CG-O 3.44Å; M32-E193 HydrophobicContact SD-CG 4.08Å
33	P	95.1	Very high	96.4	Very high	111 Å²	111	68.8 Å²	68.8	72%	0.721	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-59.4	133	168.6	-20.4	32.2	0	0	0	110.2
34	V	95.7	Very high	96.5	Very high	46 Å²	46	64 Å²	64	28%	0.279	39%	0.391	S	S	.	.			trans	-116.9	132.3	178.7	-170.7	0	0	0	0	108.5	M32 M45 T46 Y191	M32-V34 WeakPolarHBondContact O-CG2 3.23Å; M32-V34 PolarHBondContact O-N 2.93Å; V34-M45 HydrophobicContact CG1-CB 3.83Å; V34-M45 HydrophobicContact CG1-CG 4.39Å; V34-T46 HydrophobicContact CB-CG2 4.23Å; V34-T46 HydrophobicContact CG1-CG2 3.96Å; V34-Y191 HydrophobicContact CB-CD1 4.48Å; V34-Y191 HydrophobicContact CG1-CD1 3.67Å; V34-Y191 HydrophobicContact CG1-CE1 3.92Å; V34-Y191 HydrophobicContact CG1-CG 4.17Å; V34-Y191 HydrophobicContact CG2-CD1 3.89Å; V34-Y191 HydrophobicContact CG2-CD2 3.81Å; V34-Y191 HydrophobicContact CG2-CE2 4.49Å; V34-Y191 HydrophobicContact CG2-CG 3.48Å; V34-Y191 VanDerWaalsContact CG2-CG 3.48Å
35	A	95	Very high	96.5	Very high	37 Å²	37	63.2 Å²	63.2	31%	0.306	38%	0.384	S	S	.	.			trans	-59	145.3	171.9	0	0	0	0	0	110.8	L37 M45	A35-L37 VanDerWaalsContact C-N 3.33Å; A35-L37 PolarHBondContact O-N 3.02Å; A35-M45 VanDerWaalsContact O-CB 3.24Å; A35-M45 WeakPolarHBondContact O-CB 3.45Å; A35-M45 WeakPolarHBondContact O-CG 3.39Å
36	T	96.1	Very high	96.4	Very high	107 Å²	107	64.2 Å²	64.2	66%	0.656	39%	0.393	S	S	*	.	S	Bend	trans	-65.1	-39.4	-179	-52.6	0	0	0	0	112.1	S44 M45	T36-S44 WeakPolarHBondContact O-CA 3.41Å; T36-M45 PolarHBondContact O-N 3.38Å; T36-M45 VanDerWaalsContact O-N 3.09Å
37	L	98.1	Very high	96.4	Very high	100 Å²	100	63.6 Å²	63.6	52%	0.524	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-121.4	143.4	-172.6	-54	-178.4	0	0	0	111.2	A35 G42 H43	A35-L37 VanDerWaalsContact C-N 3.33Å; A35-L37 PolarHBondContact O-N 3.02Å; L37-G42 WeakPolarHBondContact CD2-O 3.42Å; L37-H43 CarbonylContact C-O 3.52Å; L37-H43 VanDerWaalsContact CA-O 3.29Å; L37-H43 WeakPolarHBondContact CA-O 3.38Å
38	H	98.3	Very high	96.5	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.009	39%	0.386	C	S	.	.			trans	-68.6	128.2	174.5	-174.2	-92.8	0	0	0	110.4	V40 N41 G42 H43 M45 T78 Q198	H38-V40 VanDerWaalsContact C-N 3.26Å; H38-V40 PolarHBondContact ND1-N 3.38Å; H38-V40 PolarHBondContact O-N 3.48Å; H38-N41 VanDerWaalsContact CB-OD1 3.25Å; H38-N41 WeakPolarHBondContact CB-OD1 3.36Å; H38-N41 PolarHBondContact ND1-OD1 3.06Å; H38-N41 PolarHBondContact O-N 2.84Å; H38-G42 WeakPolarHBondContact O-CA 3.32Å; H38-G42 PolarHBondContact O-N 3.43Å; H38-H43 WeakPolarHBondContact CB-O 3.38Å; H38-H43 PolarHBondContact N-O 3.4Å; H38-M45 WeakPolarHBondContact CA-SD 3.42Å; H38-M45 HydrophobicContact CB-CG 4.5Å; H38-M45 HydrophobicContact CB-SD 3.64Å; H38-M45 VanDerWaalsContact CD2-SD 3.6Å; H38-T78 PolarHBondContact CD2-O 3.45Å; H38-T78 PolarHBondContact NE2-N 3.13Å; H38-T78 PolarHBondContact NE2-O 3.1Å; H38-T78 PolarHBondContact NE2-OG1 3.06Å; H38-Q198 PolarHBondContact CD2-NE2 3.01Å; H38-Q198 VanDerWaalsContact NE2-CD 3.32Å; H38-Q198 VanDerWaalsContact NE2-CG 3.29Å; H38-Q198 WeakPolarHBondContact NE2-CG 3.32Å; H38-Q198 PolarHBondContact NE2-NE2 2.91Å
39	A	97.8	Very high	96.6	Very high	46 Å²	46	62.8 Å²	62.8	38%	0.38	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.4	-169.2	0	0	0	0	0	113.6	Q198	A39-Q198 HydrophobicContact CB-CB 4.13Å; A39-Q198 HydrophobicContact CB-CG 4.42Å
40	V	97.8	Very high	96.7	Very high	52 Å²	52	63.4 Å²	63.4	32%	0.315	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-41.3	-175.8	179.2	0	0	0	0	112.6	H38 W70 Q198 H201	H38-V40 VanDerWaalsContact C-N 3.26Å; H38-V40 PolarHBondContact ND1-N 3.38Å; H38-V40 PolarHBondContact O-N 3.48Å; V40-W70 HydrophobicContact CG2-CD2 4.1Å; V40-W70 HydrophobicContact CG2-CG 4.35Å; V40-W70 HydrophobicContact CG2-CZ2 4.46Å; V40-Q198 HydrophobicContact CG2-CB 4.09Å; V40-Q198 HydrophobicContact CG2-CG 3.91Å; V40-H201 HydrophobicContact CG2-CB 3.55Å
41	N	95.1	Very high	96.8	Very high	51 Å²	51	61.5 Å²	61.5	27%	0.273	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-4.2	-166.7	67.7	13.6	0	0	0	113.7	H38 H43 Y76	H38-N41 VanDerWaalsContact CB-OD1 3.25Å; H38-N41 WeakPolarHBondContact CB-OD1 3.36Å; H38-N41 PolarHBondContact ND1-OD1 3.06Å; H38-N41 PolarHBondContact O-N 2.84Å; N41-H43 PolarHBondContact O-N 3.25Å; N41-H43 WeakPolarHBondContact OD1-CB 3.29Å; N41-H43 PolarHBondContact OD1-N 2.85Å; N41-H43 VanDerWaalsContact OD1-N 3.13Å; N41-Y76 PolarHBondContact ND2-O 3.42Å
42	G	97.3	Very high	97	Very high	41 Å²	41	59.7 Å²	59.7	42%	0.423	37%	0.372	S	S	.	.			trans	72.6	7.3	175.4	0	0	0	0	0	115.1	L37 H38	L37-G42 WeakPolarHBondContact CD2-O 3.42Å; H38-G42 WeakPolarHBondContact O-CA 3.32Å; H38-G42 PolarHBondContact O-N 3.43Å
43	H	97.9	Very high	97.2	Very high	71 Å²	71	62.1 Å²	62.1	33%	0.329	38%	0.383	S	S	.	.			trans	-79.3	162.8	176.7	-67.1	158.6	0	0	0	112.2	L37 H38 N41 M45 Y76	L37-H43 CarbonylContact C-O 3.52Å; L37-H43 VanDerWaalsContact CA-O 3.29Å; L37-H43 WeakPolarHBondContact CA-O 3.38Å; H38-H43 WeakPolarHBondContact CB-O 3.38Å; H38-H43 PolarHBondContact N-O 3.4Å; N41-H43 PolarHBondContact O-N 3.25Å; N41-H43 WeakPolarHBondContact OD1-CB 3.29Å; N41-H43 PolarHBondContact OD1-N 2.85Å; N41-H43 VanDerWaalsContact OD1-N 3.13Å; H43-M45 PolarHBondContact O-N 3.19Å; H43-Y76 HydrophobicContact CB-CD1 4.14Å; H43-Y76 HydrophobicContact CB-CD2 4.14Å; H43-Y76 HydrophobicContact CB-CE1 3.74Å; H43-Y76 HydrophobicContact CB-CE2 3.73Å; H43-Y76 HydrophobicContact CB-CG 4.35Å; H43-Y76 WeakPolarHBondContact CB-O 3.4Å; H43-Y76 AromaticContact CD2-CE2 3.64Å; H43-Y76 AromaticContact CE1-CD2 3.63Å; H43-Y76 AromaticContact CE1-CE2 3.81Å; H43-Y76 AromaticContact CG-CD2 3.65Å; H43-Y76 AromaticContact CG-CE2 3.34Å; H43-Y76 AromaticContact CG-CZ 3.7Å; H43-Y76 AromaticContact ND1-CD2 3.25Å; H43-Y76 VanDerWaalsContact ND1-CD2 3.25Å; H43-Y76 WeakPolarHBondContact ND1-CD2 3.35Å; H43-Y76 AromaticContact ND1-CE2 3.46Å; H43-Y76 WeakPolarHBondContact ND1-CE2 3.38Å; H43-Y76 AromaticContact ND1-CG 3.82Å; H43-Y76 PolarHBondContact ND1-O 3.16Å; H43-Y76 AromaticContact NE2-CE2 3.93Å
44	S	97.8	Very high	97.4	Very high	20 Å²	20	58.6 Å²	58.6	14%	0.14	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-64.2	134.8	179.8	-172.3	0	0	0	0	112	T36 T46 N47 S77	T36-S44 WeakPolarHBondContact O-CA 3.41Å; S44-T46 PolarHBondContact OG-N 2.98Å; S44-N47 WeakPolarHBondContact OG-CB 3.29Å; S44-N47 PolarHBondContact OG-N 2.84Å; S44-S77 PolarHBondContact O-OG 3.38Å; S44-S77 VanDerWaalsContact O-OG 3.06Å
45	M	97.3	Very high	97.5	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	34%	0.344	C	S	.	.	S	Bend	trans	-71.5	-33.7	172.9	-71.6	-62.2	-72.2	0	0	112.4	V34 A35 T36 H38 H43 A79 R107 Y191 Q197	V34-M45 HydrophobicContact CG1-CB 3.83Å; V34-M45 HydrophobicContact CG1-CG 4.39Å; A35-M45 VanDerWaalsContact O-CB 3.24Å; A35-M45 WeakPolarHBondContact O-CB 3.45Å; A35-M45 WeakPolarHBondContact O-CG 3.39Å; T36-M45 PolarHBondContact O-N 3.38Å; T36-M45 VanDerWaalsContact O-N 3.09Å; H38-M45 WeakPolarHBondContact CA-SD 3.42Å; H38-M45 HydrophobicContact CB-CG 4.5Å; H38-M45 HydrophobicContact CB-SD 3.64Å; H38-M45 VanDerWaalsContact CD2-SD 3.6Å; H43-M45 PolarHBondContact O-N 3.19Å; M45-A79 HydrophobicContact CE-CB 3.68Å; M45-R107 PolarHBondContact O-NH1 3.13Å; M45-Y191 PolarHBondContact O-OH 3.31Å; M45-Y191 VanDerWaalsContact O-OH 3.14Å; M45-Q197 HydrophobicContact CE-CB 4.42Å; M45-Q197 HydrophobicContact CE-CG 4.26Å
46	T	96	Very high	97.7	Very high	77 Å²	77	55 Å²	55	47%	0.472	33%	0.331	S	S	.	.	S	Bend	trans	-112.4	-36.4	-167.6	55.2	0	0	0	0	113.4	V34 S44	V34-T46 HydrophobicContact CB-CG2 4.23Å; V34-T46 HydrophobicContact CG1-CG2 3.96Å; S44-T46 PolarHBondContact OG-N 2.98Å
47	N	97	Very high	97.8	Very high	102 Å²	102	49.9 Å²	49.9	55%	0.545	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-81.5	125.4	179.7	-175.4	75.7	0	0	0	110.9	S44	S44-N47 WeakPolarHBondContact OG-CB 3.29Å; S44-N47 PolarHBondContact OG-N 2.84Å
48	V	97.8	Very high	97.9	Very high	44 Å²	44	45.1 Å²	45.1	27%	0.267	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-94.8	118.5	172.4	-178.8	0	0	0	0	108.5	M52 I54 V109	V48-M52 HydrophobicContact CG1-CB 3.89Å; V48-I54 HydrophobicContact CG2-CD1 4.07Å; V48-I54 HydrophobicContact CG2-CG1 4.27Å; V48-V109 HydrophobicContact CG1-CG1 3.91Å; V48-V109 HydrophobicContact CG2-CG1 4.31Å; V48-V109 HydrophobicContact CG2-CG2 4.05Å
49	P	98	Very high	97.9	Very high	33 Å²	33	45.1 Å²	45.1	21%	0.214	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-58.9	151.4	171.8	-24.1	34.8	0	0	0	112.7	M52 Y76	P49-M52 HydrophobicContact CB-CE 4.14Å; P49-M52 HydrophobicContact CB-CG 4.19Å; P49-M52 HydrophobicContact CB-SD 3.82Å; P49-M52 VanDerWaalsContact CD-SD 3.55Å; P49-M52 HydrophobicContact CG-CE 4.02Å; P49-M52 HydrophobicContact CG-SD 3.54Å; P49-M52 VanDerWaalsContact CG-SD 3.54Å; P49-M52 WeakPolarHBondContact O-CB 3.17Å; P49-M52 PolarHBondContact O-N 3.35Å; P49-Y76 HydrophobicContact CG-CD1 4.17Å; P49-Y76 HydrophobicContact CG-CD2 4.42Å; P49-Y76 HydrophobicContact CG-CE1 3.64Å; P49-Y76 HydrophobicContact CG-CE2 3.93Å; P49-Y76 VanDerWaalsContact CG-CZ 3.5Å
50	D	98.1	Very high	97.9	Very high	169 Å²	169	42.9 Å²	42.9	90%	0.904	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	140.4	174.3	-67.4	-26.2	0	0	0	111.2	M52	D50-M52 PolarHBondContact O-N 3.34Å
51	G	97.9	Very high	97.8	Very high	64 Å²	64	41 Å²	41	66%	0.66	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	-6.5	-179	0	0	0	0	0	114.8	P112	G51-P112 WeakPolarHBondContact O-CD 3.42Å; G51-P112 WeakPolarHBondContact O-CG 3.41Å
52	M	98.5	Very high	98	Very high	44 Å²	44	38.6 Å²	38.6	22%	0.217	23%	0.233	C	C	.	.			trans	-86.8	153.3	171.2	-66.9	-172.5	179.3	0	0	111.8	V48 P49 D50 Y76 V109 Y110 D111	V48-M52 HydrophobicContact CG1-CB 3.89Å; P49-M52 HydrophobicContact CB-CE 4.14Å; P49-M52 HydrophobicContact CB-CG 4.19Å; P49-M52 HydrophobicContact CB-SD 3.82Å; P49-M52 VanDerWaalsContact CD-SD 3.55Å; P49-M52 HydrophobicContact CG-CE 4.02Å; P49-M52 HydrophobicContact CG-SD 3.54Å; P49-M52 VanDerWaalsContact CG-SD 3.54Å; P49-M52 WeakPolarHBondContact O-CB 3.17Å; P49-M52 PolarHBondContact O-N 3.35Å; D50-M52 PolarHBondContact O-N 3.34Å; M52-Y76 HydrophobicContact CE-CD2 3.52Å; M52-Y76 HydrophobicContact CE-CE2 4.2Å; M52-Y76 HydrophobicContact CE-CG 3.75Å; M52-Y76 WeakPolarHBondContact SD-CB 3.48Å; M52-Y76 HydrophobicContact SD-CD1 3.84Å; M52-Y76 HydrophobicContact SD-CD2 3.83Å; M52-Y76 HydrophobicContact SD-CG 3.42Å; M52-V109 HydrophobicContact CB-CG1 3.93Å; M52-V109 HydrophobicContact SD-CG1 3.89Å; M52-Y110 VanDerWaalsContact CA-O 3.32Å; M52-Y110 WeakPolarHBondContact CA-O 3.32Å; M52-Y110 VanDerWaalsContact CB-O 3.32Å; M52-Y110 WeakPolarHBondContact CB-O 3.39Å; M52-D111 HydrophobicContact CE-CB 4.48Å
53	E	98.6	Very high	98	Very high	85 Å²	85	38 Å²	38	40%	0.397	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	168.7	179	-71.2	179.7	-161.4	0	0	111	V109 Y110 P112	E53-V109 WeakPolarHBondContact O-CA 3.47Å; E53-Y110 HydrophobicContact CB-CD1 4.33Å; E53-Y110 HydrophobicContact CB-CD2 4.46Å; E53-Y110 HydrophobicContact CB-CE1 3.7Å; E53-Y110 HydrophobicContact CB-CE2 3.82Å; E53-Y110 WeakPolarHBondContact CB-OH 3.2Å; E53-Y110 PolarHBondContact N-O 3.25Å; E53-Y110 WeakPolarHBondContact O-CD1 3.25Å; E53-Y110 PolarHBondContact O-N 3.2Å; E53-Y110 PolarHBondContact OE2-OH 3.18Å; E53-P112 HydrophobicContact CG-CG 4.22Å
54	I	98.8	Very high	98	Very high	37 Å²	37	34.8 Å²	34.8	19%	0.19	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.2	178.9	-57.3	170	0	0	0	108.8	V48 I56 R107 I108 L151 Q155	V48-I54 HydrophobicContact CG2-CD1 4.07Å; V48-I54 HydrophobicContact CG2-CG1 4.27Å; I54-I56 HydrophobicContact CG2-CD1 4.48Å; I54-I56 HydrophobicContact CG2-CG1 4.01Å; I54-R107 VanDerWaalsContact CD1-NH2 3.33Å; I54-R107 HydrophobicContact CG2-CG 3.82Å; I54-I108 CarbonylContact C-O 3.5Å; I54-I108 VanDerWaalsContact CA-O 3.26Å; I54-I108 WeakPolarHBondContact CA-O 3.46Å; I54-L151 HydrophobicContact CB-CD1 4.25Å; I54-L151 HydrophobicContact CB-CD2 4.24Å; I54-L151 HydrophobicContact CG2-CD1 4.04Å; I54-L151 HydrophobicContact CG2-CD2 4.33Å; I54-L151 WeakPolarHBondContact O-CD1 3.49Å; I54-Q155 PolarHBondContact O-NE2 3.43Å
55	A	98.8	Very high	98.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.8	162.6	0	0	0	0	0	109.6	F57 I108 Y110 Y117 L120	A55-F57 HydrophobicContact CB-CE1 4.45Å; A55-F57 HydrophobicContact CB-CE2 4.15Å; A55-F57 HydrophobicContact CB-CZ 3.96Å; A55-I108 HydrophobicContact CB-CB 4.32Å; A55-I108 HydrophobicContact CB-CD1 4.34Å; A55-I108 PolarHBondContact N-O 3.46Å; A55-I108 PolarHBondContact O-N 3.5Å; A55-Y110 HydrophobicContact CB-CD1 4.37Å; A55-Y110 HydrophobicContact CB-CE1 3.93Å; A55-Y117 HydrophobicContact CB-CD2 4.04Å; A55-Y117 HydrophobicContact CB-CE2 3.71Å; A55-L120 HydrophobicContact CB-CD1 3.92Å
56	I	98.9	Very high	98.1	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.036	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	118.2	177.2	-58.3	174.9	0	0	0	109.1	I54 T83 A105 V106 Y149 L151 F189	I54-I56 HydrophobicContact CG2-CD1 4.48Å; I54-I56 HydrophobicContact CG2-CG1 4.01Å; I56-T83 HydrophobicContact CG2-CG2 3.83Å; I56-A105 HydrophobicContact CG2-CB 4.09Å; I56-V106 WeakPolarHBondContact CA-O 3.33Å; I56-Y149 HydrophobicContact CG2-CD2 3.87Å; I56-Y149 HydrophobicContact CG2-CG 4.46Å; I56-Y149 PolarHBondContact O-N 2.81Å; I56-L151 HydrophobicContact CD1-CD1 3.96Å; I56-L151 HydrophobicContact CG1-CD1 3.96Å; I56-F189 HydrophobicContact CD1-CB 4.37Å; I56-F189 HydrophobicContact CD1-CD2 4.46Å; I56-F189 HydrophobicContact CG2-CD2 4.26Å
57	F	98.9	Very high	98.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.6	-178.7	-56.7	-42.4	0	0	0	111.9	A55 M59 F69 A105 V106 I108 Y117 L120 L121 F124 I148	A55-F57 HydrophobicContact CB-CE1 4.45Å; A55-F57 HydrophobicContact CB-CE2 4.15Å; A55-F57 HydrophobicContact CB-CZ 3.96Å; F57-M59 HydrophobicContact CB-CG 4.43Å; F57-M59 HydrophobicContact CB-SD 4.42Å; F57-F69 HydrophobicContact CD2-CE1 4.03Å; F57-F69 AromaticContact CD2-CE2 3.94Å; F57-F69 HydrophobicContact CD2-CE2 3.94Å; F57-F69 AromaticContact CD2-CZ 3.45Å; F57-F69 HydrophobicContact CD2-CZ 3.45Å; F57-F69 VanDerWaalsContact CD2-CZ 3.45Å; F57-F69 AromaticContact CE2-CE1 3.99Å; F57-F69 HydrophobicContact CE2-CE1 3.99Å; F57-F69 AromaticContact CE2-CZ 3.83Å; F57-F69 HydrophobicContact CE2-CZ 3.83Å; F57-A105 CarbonylContact O-C 3.58Å; F57-A105 VanDerWaalsContact O-CA 3.28Å; F57-A105 WeakPolarHBondContact O-CA 3.36Å; F57-V106 PolarHBondContact N-O 3.22Å; F57-V106 VanDerWaalsContact N-O 3.13Å; F57-V106 PolarHBondContact O-N 2.77Å; F57-I108 HydrophobicContact CD2-CD1 3.55Å; F57-I108 HydrophobicContact CE2-CD1 3.86Å; F57-Y117 HydrophobicContact CE1-CE2 4.16Å; F57-Y117 HydrophobicContact CZ-CE2 4.01Å; F57-L120 HydrophobicContact CE2-CB 3.88Å; F57-L120 HydrophobicContact CZ-CB 4.11Å; F57-L121 HydrophobicContact CE1-CD2 4.07Å; F57-L121 HydrophobicContact CZ-CD2 4.18Å; F57-F124 HydrophobicContact CB-CD2 3.76Å; F57-F124 HydrophobicContact CB-CE2 4.14Å; F57-F124 HydrophobicContact CD1-CD2 4.11Å; F57-F124 HydrophobicContact CD2-CB 4.28Å; F57-F124 HydrophobicContact CD2-CD2 4.28Å; F57-F124 HydrophobicContact CE2-CB 4.31Å; F57-F124 AromaticContact CG-CD2 3.82Å; F57-F124 HydrophobicContact CG-CD2 3.82Å; F57-F124 HydrophobicContact CG-CE2 4.48Å; F57-I148 HydrophobicContact CD1-CB 4.29Å; F57-I148 HydrophobicContact CD1-CG1 4.01Å; F57-I148 HydrophobicContact CD1-CG2 3.95Å; F57-I148 HydrophobicContact CE1-CG1 4.28Å; F57-I148 HydrophobicContact CE1-CG2 3.8Å
58	A	98.7	Very high	98.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.7	167.8	0	0	0	0	0	109.2	A103 E104 A105 S146 A147 Y149	A58-A103 HydrophobicContact CB-CB 3.62Å; A58-E104 WeakPolarHBondContact CA-O 3.44Å; A58-E104 WeakPolarHBondContact CB-O 3.25Å; A58-A105 HydrophobicContact CB-CB 4.23Å; A58-S146 WeakPolarHBondContact O-CA 3.49Å; A58-A147 HydrophobicContact CB-CB 3.95Å; A58-A147 PolarHBondContact N-O 2.69Å; A58-A147 PolarHBondContact O-N 3.39Å; A58-Y149 HydrophobicContact CB-CE2 4.26Å
59	M	98.5	Very high	98.3	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	27.9	-171.9	-63.9	168.6	65.7	0	0	111.2	F57 V65 L68 F69 F124 N127 H128 I210	F57-M59 HydrophobicContact CB-CG 4.43Å; F57-M59 HydrophobicContact CB-SD 4.42Å; M59-V65 HydrophobicContact CB-CG1 4.06Å; M59-V65 HydrophobicContact CB-CG2 3.61Å; M59-V65 HydrophobicContact CG-CG1 4.2Å; M59-V65 HydrophobicContact SD-CG1 3.61Å; M59-L68 HydrophobicContact CE-CD2 4.14Å; M59-F69 HydrophobicContact SD-CE2 3.69Å; M59-F69 HydrophobicContact SD-CZ 4.07Å; M59-F124 HydrophobicContact CE-CD2 4.41Å; M59-F124 VanDerWaalsContact CE-O 3.28Å; M59-F124 WeakPolarHBondContact CE-O 3.22Å; M59-F124 HydrophobicContact CG-CD2 3.36Å; M59-F124 HydrophobicContact CG-CE2 3.45Å; M59-F124 VanDerWaalsContact CG-CE2 3.45Å; M59-F124 HydrophobicContact CG-CG 4.44Å; M59-F124 HydrophobicContact SD-CB 4.32Å; M59-F124 HydrophobicContact SD-CD2 3.55Å; M59-F124 VanDerWaalsContact SD-CD2 3.55Å; M59-F124 HydrophobicContact SD-CE2 4.28Å; M59-F124 HydrophobicContact SD-CG 4.3Å; M59-N127 HydrophobicContact CE-CB 4.13Å; M59-H128 HydrophobicContact CB-CB 4.17Å; M59-H128 HydrophobicContact CE-CB 4.05Å; M59-I210 HydrophobicContact CE-CD1 4.11Å
60	G	97.6	Very high	98.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	95.3	-146.3	-169.2	0	0	0	0	0	112.5	F62 Y144	G60-F62 PolarHBondContact O-N 3Å; G60-Y144 WeakPolarHBondContact CA-O 3.46Å
61	C	97.3	Very high	98.3	Very high	11 Å²	11	26.3 Å²	26.3	7%	0.074	14%	0.138	C	C	.	.	S	Bend	trans	-58.3	108.7	179.1	-179.9	0	0	0	0	111.2	W63 G64 V65 E104 Y144 Y207	C61-W63 PolarHBondContact O-N 3.3Å; C61-G64 PolarHBondContact O-N 2.82Å; C61-V65 WeakPolarHBondContact O-CG2 3.18Å; C61-E104 WeakPolarHBondContact CA-OE2 3.49Å; C61-Y144 HydrophobicContact CB-CE1 4.45Å; C61-Y207 HydrophobicContact CB-CE1 4.37Å
62	F	98.3	Very high	98.3	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-52.4	-23.9	-178.2	63.2	151.8	0	0	0	116.5	G60 G64 V65 E66 A80 Y92 E104 V106 A192 H196	G60-F62 PolarHBondContact O-N 3Å; F62-G64 PolarHBondContact O-N 3.43Å; F62-V65 PolarHBondContact O-N 2.89Å; F62-E66 VanDerWaalsContact O-CB 3.24Å; F62-E66 WeakPolarHBondContact O-CB 3.27Å; F62-E66 PolarHBondContact O-N 3.36Å; F62-A80 HydrophobicContact CD1-CB 3.15Å; F62-A80 HydrophobicContact CE1-CB 3.36Å; F62-A80 HydrophobicContact CG-CB 4.24Å; F62-Y92 HydrophobicContact CE2-CE2 4.13Å; F62-Y92 HydrophobicContact CZ-CD2 4.3Å; F62-Y92 HydrophobicContact CZ-CE2 4.36Å; F62-E104 HydrophobicContact CB-CB 4.15Å; F62-E104 HydrophobicContact CD2-CB 4.27Å; F62-E104 HydrophobicContact CD2-CG 4.22Å; F62-E104 WeakPolarHBondContact CD2-OE2 3.48Å; F62-E104 HydrophobicContact CE2-CG 4.37Å; F62-E104 VanDerWaalsContact CE2-OE2 3.3Å; F62-E104 WeakPolarHBondContact CE2-OE2 3.46Å; F62-E104 HydrophobicContact CG-CB 4.21Å; F62-E104 PolarHBondContact N-OE2 3.47Å; F62-V106 HydrophobicContact CB-CG2 4.11Å; F62-A192 HydrophobicContact CE1-CB 3.63Å; F62-A192 HydrophobicContact CZ-CB 4.27Å; F62-H196 HydrophobicContact CE1-CB 3.7Å; F62-H196 HydrophobicContact CZ-CB 3.57Å; F62-H196 AromaticContact CZ-CG 3.55Å; F62-H196 AromaticContact CZ-ND1 3.77Å
63	W	98.2	Very high	98.3	Very high	30 Å²	30	28.1 Å²	28.1	11%	0.114	14%	0.139	C	C	.	.	H	α-helix	trans	-63.5	-44	-178.6	-58.9	-25.2	0	0	0	113.3	C61 R67 H196 Y199 L200 Y207	C61-W63 PolarHBondContact O-N 3.3Å; W63-R67 PolarHBondContact O-N 3.2Å; W63-H196 AromaticContact CE2-ND1 3.61Å; W63-H196 AromaticContact CZ2-CE1 3.81Å; W63-H196 AromaticContact CZ2-ND1 3.45Å; W63-H196 WeakPolarHBondContact CZ2-ND1 3.3Å; W63-H196 AromaticContact NE1-CG 3.86Å; W63-H196 AromaticContact NE1-ND1 3.21Å; W63-H196 PolarHBondContact NE1-ND1 3.43Å; W63-Y199 HydrophobicContact CB-CD1 3.84Å; W63-Y199 HydrophobicContact CB-CG 4.33Å; W63-Y199 VanDerWaalsContact CD1-CB 3.49Å; W63-Y199 AromaticContact CD1-CG 3.9Å; W63-Y199 AromaticContact CD2-CD1 3.46Å; W63-Y199 HydrophobicContact CD2-CD1 3.46Å; W63-Y199 VanDerWaalsContact CD2-CD1 3.46Å; W63-Y199 HydrophobicContact CD2-CD2 4.31Å; W63-Y199 AromaticContact CD2-CE1 3.85Å; W63-Y199 HydrophobicContact CD2-CE1 3.85Å; W63-Y199 AromaticContact CD2-CG 3.72Å; W63-Y199 HydrophobicContact CD2-CG 3.72Å; W63-Y199 AromaticContact CE2-CG 3.92Å; W63-Y199 AromaticContact CE3-CD1 3.63Å; W63-Y199 HydrophobicContact CE3-CD1 3.63Å; W63-Y199 AromaticContact CE3-CE1 3.51Å; W63-Y199 HydrophobicContact CE3-CE1 3.51Å; W63-Y199 HydrophobicContact CE3-CG 4.26Å; W63-Y199 AromaticContact CG-CD1 3.57Å; W63-Y199 HydrophobicContact CG-CD1 3.57Å; W63-Y199 HydrophobicContact CG-CE1 4.39Å; W63-Y199 AromaticContact CG-CG 3.73Å; W63-Y199 HydrophobicContact CG-CG 3.73Å; W63-Y199 HydrophobicContact CH2-CE2 4.48Å; W63-Y199 HydrophobicContact CZ2-CD2 4.43Å; W63-Y199 HydrophobicContact CZ2-CE2 4.45Å; W63-Y199 HydrophobicContact CZ3-CD1 4.39Å; W63-Y199 AromaticContact CZ3-CE1 3.91Å; W63-Y199 HydrophobicContact CZ3-CE1 3.91Å; W63-L200 HydrophobicContact CB-CG 4.29Å; W63-L200 WeakPolarHBondContact O-CD1 3.32Å; W63-Y207 HydrophobicContact CE3-CD1 4.38Å; W63-Y207 HydrophobicContact CZ3-CD1 4.36Å
64	G	97.5	Very high	98.3	Very high	2 Å²	2	25 Å²	25	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-69.6	-38	175.9	0	0	0	0	0	111.7	C61 F62 R67 L68	C61-G64 PolarHBondContact O-N 2.82Å; F62-G64 PolarHBondContact O-N 3.43Å; G64-R67 PolarHBondContact O-N 3.02Å; G64-L68 PolarHBondContact O-N 3.29Å; G64-L68 VanDerWaalsContact O-N 3.16Å
65	V	98.4	Very high	98.2	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-64.1	-47.5	179.2	-174.6	0	0	0	0	110.7	M59 C61 F62 R67 L68 F69 V106 I210	M59-V65 HydrophobicContact CB-CG1 4.06Å; M59-V65 HydrophobicContact CB-CG2 3.61Å; M59-V65 HydrophobicContact CG-CG1 4.2Å; M59-V65 HydrophobicContact SD-CG1 3.61Å; C61-V65 WeakPolarHBondContact O-CG2 3.18Å; F62-V65 PolarHBondContact O-N 2.89Å; V65-R67 VanDerWaalsContact C-N 3.25Å; V65-R67 PolarHBondContact O-N 3.34Å; V65-L68 VanDerWaalsContact O-CB 3.3Å; V65-L68 WeakPolarHBondContact O-CB 3.36Å; V65-L68 PolarHBondContact O-N 2.85Å; V65-L68 VanDerWaalsContact O-N 3.13Å; V65-F69 HydrophobicContact CG1-CD2 4.02Å; V65-F69 HydrophobicContact CG1-CE2 3.83Å; V65-F69 VanDerWaalsContact O-CD2 3.27Å; V65-F69 WeakPolarHBondContact O-CD2 3.33Å; V65-F69 PolarHBondContact O-N 2.76Å; V65-V106 HydrophobicContact CB-CG2 3.77Å; V65-V106 HydrophobicContact CG1-CB 4.11Å; V65-V106 HydrophobicContact CG1-CG2 3.59Å; V65-I210 HydrophobicContact CB-CD1 4.19Å; V65-I210 HydrophobicContact CG2-CD1 3.74Å
66	E	98.5	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-41.3	-178.5	-158.4	-162.3	-179.3	0	0	110	F62 L68 F69 W70 T78 V106 Q198	F62-E66 VanDerWaalsContact O-CB 3.24Å; F62-E66 WeakPolarHBondContact O-CB 3.27Å; F62-E66 PolarHBondContact O-N 3.36Å; E66-L68 VanDerWaalsContact C-N 3.31Å; E66-L68 PolarHBondContact O-N 3.45Å; E66-F69 PolarHBondContact O-N 3.48Å; E66-W70 VanDerWaalsContact C-CZ3 3.42Å; E66-W70 HydrophobicContact CB-CE3 3.96Å; E66-W70 HydrophobicContact CB-CZ3 3.61Å; E66-W70 HydrophobicContact CG-CE3 3.6Å; E66-W70 HydrophobicContact CG-CZ3 3.61Å; E66-W70 PolarHBondContact O-N 3.07Å; E66-W70 WeakPolarHBondContact OE2-CZ3 3.43Å; E66-T78 VanDerWaalsContact CG-OG1 3.31Å; E66-T78 WeakPolarHBondContact CG-OG1 3.37Å; E66-T78 PolarHBondContact OE1-OG1 2.79Å; E66-V106 HydrophobicContact CB-CG1 4.31Å; E66-V106 HydrophobicContact CB-CG2 3.88Å; E66-V106 HydrophobicContact CG-CG1 3.99Å; E66-V106 HydrophobicContact CG-CG2 4.32Å; E66-Q198 PolarHBondContact OE1-NE2 3.17Å; E66-Q198 WeakPolarHBondContact OE2-CA 3.28Å; E66-Q198 PolarHBondContact OE2-N 3.42Å
67	R	98	Very high	98.2	Very high	83 Å²	83	25.7 Å²	25.7	31%	0.313	13%	0.132	S	C	.	.	H	α-helix	trans	-58.7	-42.3	175.4	-175.6	176.4	69.9	175	3.2	113.8	W63 G64 V65 F69 W70 Q71 L200 C208	W63-R67 PolarHBondContact O-N 3.2Å; G64-R67 PolarHBondContact O-N 3.02Å; V65-R67 VanDerWaalsContact C-N 3.25Å; V65-R67 PolarHBondContact O-N 3.34Å; R67-F69 VanDerWaalsContact C-N 3.29Å; R67-F69 PolarHBondContact O-N 2.91Å; R67-W70 VanDerWaalsContact CA-CD2 3.47Å; R67-W70 VanDerWaalsContact CA-CH2 3.47Å; R67-W70 HydrophobicContact CB-CD2 4.39Å; R67-W70 HydrophobicContact CB-CH2 3.51Å; R67-W70 HydrophobicContact CB-CZ2 3.33Å; R67-W70 HydrophobicContact CB-CZ3 4.14Å; R67-W70 HydrophobicContact CG-CH2 4.12Å; R67-W70 HydrophobicContact CG-CZ2 3.41Å; R67-W70 VanDerWaalsContact CG-CZ2 3.41Å; R67-W70 VanDerWaalsContact N-CZ3 3.3Å; R67-Q71 VanDerWaalsContact O-CG 3.28Å; R67-Q71 WeakPolarHBondContact O-CG 3.3Å; R67-L200 HydrophobicContact CB-CB 4.43Å; R67-L200 HydrophobicContact CB-CD1 4.03Å; R67-C208 PolarHBondContact NH2-SG 2.94Å
68	L	97.7	Very high	98.2	Very high	32 Å²	32	25.7 Å²	25.7	17%	0.168	13%	0.132	C	C	.	.	H	α-helix	trans	-58.3	-45.8	179.2	-176.8	67.7	0	0	0	110.8	M59 G64 V65 E66 V123 N127 I210	M59-L68 HydrophobicContact CE-CD2 4.14Å; G64-L68 PolarHBondContact O-N 3.29Å; G64-L68 VanDerWaalsContact O-N 3.16Å; V65-L68 VanDerWaalsContact O-CB 3.3Å; V65-L68 WeakPolarHBondContact O-CB 3.36Å; V65-L68 PolarHBondContact O-N 2.85Å; V65-L68 VanDerWaalsContact O-N 3.13Å; E66-L68 VanDerWaalsContact C-N 3.31Å; E66-L68 PolarHBondContact O-N 3.45Å; L68-V123 HydrophobicContact CD1-CG1 4.15Å; L68-V123 HydrophobicContact CD2-CG1 3.38Å; L68-V123 HydrophobicContact CG-CG1 3.52Å; L68-N127 HydrophobicContact CD1-CB 4.44Å; L68-N127 HydrophobicContact CD2-CB 3.4Å; L68-N127 VanDerWaalsContact CD2-CB 3.4Å; L68-I210 HydrophobicContact CD2-CD1 4.1Å
69	F	98.7	Very high	98.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-79.4	-38.6	-175.1	-72.2	-72.2	0	0	0	114.1	F57 M59 V65 E66 R67 Q71 L72 V75 T78 I108 L120 V123	F57-F69 HydrophobicContact CD2-CE1 4.03Å; F57-F69 AromaticContact CD2-CE2 3.94Å; F57-F69 HydrophobicContact CD2-CE2 3.94Å; F57-F69 AromaticContact CD2-CZ 3.45Å; F57-F69 HydrophobicContact CD2-CZ 3.45Å; F57-F69 VanDerWaalsContact CD2-CZ 3.45Å; F57-F69 AromaticContact CE2-CE1 3.99Å; F57-F69 HydrophobicContact CE2-CE1 3.99Å; F57-F69 AromaticContact CE2-CZ 3.83Å; F57-F69 HydrophobicContact CE2-CZ 3.83Å; M59-F69 HydrophobicContact SD-CE2 3.69Å; M59-F69 HydrophobicContact SD-CZ 4.07Å; V65-F69 HydrophobicContact CG1-CD2 4.02Å; V65-F69 HydrophobicContact CG1-CE2 3.83Å; V65-F69 VanDerWaalsContact O-CD2 3.27Å; V65-F69 WeakPolarHBondContact O-CD2 3.33Å; V65-F69 PolarHBondContact O-N 2.76Å; E66-F69 PolarHBondContact O-N 3.48Å; R67-F69 VanDerWaalsContact C-N 3.29Å; R67-F69 PolarHBondContact O-N 2.91Å; F69-Q71 PolarHBondContact O-N 3.34Å; F69-L72 HydrophobicContact CD1-CD1 3.74Å; F69-L72 HydrophobicContact CE1-CD1 4.34Å; F69-L72 WeakPolarHBondContact O-CB 3.03Å; F69-L72 PolarHBondContact O-N 2.99Å; F69-L72 VanDerWaalsContact O-N 3.1Å; F69-V75 WeakPolarHBondContact O-CB 3.3Å; F69-V75 WeakPolarHBondContact O-CG2 3.28Å; F69-T78 HydrophobicContact CB-CG2 3.86Å; F69-I108 HydrophobicContact CB-CD1 4.08Å; F69-I108 HydrophobicContact CB-CG1 4.04Å; F69-I108 HydrophobicContact CD1-CD1 3.46Å; F69-I108 VanDerWaalsContact CD1-CD1 3.46Å; F69-I108 HydrophobicContact CD1-CG1 4.29Å; F69-I108 HydrophobicContact CD2-CD1 3.61Å; F69-I108 HydrophobicContact CD2-CG1 4.24Å; F69-I108 HydrophobicContact CE1-CD1 3.7Å; F69-I108 HydrophobicContact CE2-CD1 3.85Å; F69-I108 HydrophobicContact CG-CD1 3.42Å; F69-I108 VanDerWaalsContact CG-CD1 3.42Å; F69-I108 HydrophobicContact CG-CG1 3.93Å; F69-I108 HydrophobicContact CZ-CD1 3.9Å; F69-L120 HydrophobicContact CD1-CD2 3.86Å; F69-L120 HydrophobicContact CE1-CD2 3.98Å; F69-V123 HydrophobicContact CD1-CG1 4.17Å; F69-V123 HydrophobicContact CE1-CB 3.92Å; F69-V123 HydrophobicContact CE1-CG1 3.61Å; F69-V123 HydrophobicContact CZ-CB 4.35Å; F69-V123 HydrophobicContact CZ-CG1 3.85Å
70	W	98.1	Very high	98.2	Very high	25 Å²	25	25.6 Å²	25.6	10%	0.095	13%	0.131	C	C	.	.	H	α-helix	trans	-67	-12.8	-178.8	72.5	53.5	0	0	0	113.8	V40 E66 R67 T78 Q198 L200 H201	V40-W70 HydrophobicContact CG2-CD2 4.1Å; V40-W70 HydrophobicContact CG2-CG 4.35Å; V40-W70 HydrophobicContact CG2-CZ2 4.46Å; E66-W70 VanDerWaalsContact C-CZ3 3.42Å; E66-W70 HydrophobicContact CB-CE3 3.96Å; E66-W70 HydrophobicContact CB-CZ3 3.61Å; E66-W70 HydrophobicContact CG-CE3 3.6Å; E66-W70 HydrophobicContact CG-CZ3 3.61Å; E66-W70 PolarHBondContact O-N 3.07Å; E66-W70 WeakPolarHBondContact OE2-CZ3 3.43Å; R67-W70 VanDerWaalsContact CA-CD2 3.47Å; R67-W70 VanDerWaalsContact CA-CH2 3.47Å; R67-W70 HydrophobicContact CB-CD2 4.39Å; R67-W70 HydrophobicContact CB-CH2 3.51Å; R67-W70 HydrophobicContact CB-CZ2 3.33Å; R67-W70 HydrophobicContact CB-CZ3 4.14Å; R67-W70 HydrophobicContact CG-CH2 4.12Å; R67-W70 HydrophobicContact CG-CZ2 3.41Å; R67-W70 VanDerWaalsContact CG-CZ2 3.41Å; R67-W70 VanDerWaalsContact N-CZ3 3.3Å; W70-T78 HydrophobicContact CB-CG2 4.05Å; W70-Q198 HydrophobicContact CE3-CB 4.44Å; W70-Q198 HydrophobicContact CE3-CG 3.98Å; W70-Q198 HydrophobicContact CH2-CB 4.36Å; W70-Q198 HydrophobicContact CZ3-CB 4.05Å; W70-Q198 HydrophobicContact CZ3-CG 4.04Å; W70-L200 HydrophobicContact CH2-CB 4.1Å; W70-L200 HydrophobicContact CZ2-CB 4.34Å; W70-H201 HydrophobicContact CZ2-CB 4.25Å
71	Q	97.7	Very high	98.3	Very high	128 Å²	128	25.6 Å²	25.6	60%	0.598	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.7	177.7	-71	179.2	-30.8	0	0	113.2	R67 F69	R67-Q71 VanDerWaalsContact O-CG 3.28Å; R67-Q71 WeakPolarHBondContact O-CG 3.3Å; F69-Q71 PolarHBondContact O-N 3.34Å
72	L	98.5	Very high	98.3	Very high	39 Å²	39	25.1 Å²	25.1	20%	0.204	13%	0.128	C	C	.	.	S	Bend	trans	-79.3	130.6	-174.8	-58.8	178	0	0	0	111.1	F69 G74 V75 I115 L120 V123	F69-L72 HydrophobicContact CD1-CD1 3.74Å; F69-L72 HydrophobicContact CE1-CD1 4.34Å; F69-L72 WeakPolarHBondContact O-CB 3.03Å; F69-L72 PolarHBondContact O-N 2.99Å; F69-L72 VanDerWaalsContact O-N 3.1Å; L72-G74 PolarHBondContact O-N 3.39Å; L72-V75 HydrophobicContact CB-CB 4.43Å; L72-V75 HydrophobicContact CB-CG2 3.81Å; L72-V75 HydrophobicContact CD1-CG2 4.35Å; L72-V75 PolarHBondContact O-N 3.15Å; L72-V75 VanDerWaalsContact O-N 3.11Å; L72-I115 HydrophobicContact CB-CD1 4Å; L72-I115 HydrophobicContact CD1-CD1 3.85Å; L72-I115 HydrophobicContact CG-CD1 4.5Å; L72-L120 HydrophobicContact CD1-CD2 3.94Å; L72-V123 HydrophobicContact CD1-CB 4.44Å; L72-V123 HydrophobicContact CD1-CG1 4.3Å; L72-V123 HydrophobicContact CD1-CG2 3.91Å; L72-V123 HydrophobicContact CD2-CG2 4.25Å
73	P	98.2	Very high	98.3	Very high	106 Å²	106	25 Å²	25	69%	0.688	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	134.8	166.4	-23.3	34.2	0	0	0	110.7
74	G	98.3	Very high	98.3	Very high	20 Å²	20	24.3 Å²	24.3	21%	0.206	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	-14.3	-176.2	0	0	0	0	0	114.6	L72 Y76 Y110 D111 V114	L72-G74 PolarHBondContact O-N 3.39Å; G74-Y76 PolarHBondContact O-N 3.39Å; G74-Y110 CarbonylContact O-C 3.59Å; G74-Y110 WeakPolarHBondContact O-CA 3.5Å; G74-D111 PolarHBondContact O-N 3.43Å; G74-V114 VanDerWaalsContact CA-CG1 3.47Å
75	V	98.6	Very high	98.3	Very high	14 Å²	14	24.7 Å²	24.7	9%	0.085	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	118.5	170.1	173.4	0	0	0	0	109.7	F69 L72 T78 I108 L120	F69-V75 WeakPolarHBondContact O-CB 3.3Å; F69-V75 WeakPolarHBondContact O-CG2 3.28Å; L72-V75 HydrophobicContact CB-CB 4.43Å; L72-V75 HydrophobicContact CB-CG2 3.81Å; L72-V75 HydrophobicContact CD1-CG2 4.35Å; L72-V75 PolarHBondContact O-N 3.15Å; L72-V75 VanDerWaalsContact O-N 3.11Å; V75-T78 HydrophobicContact CG1-CG2 3.81Å; V75-I108 HydrophobicContact CG1-CG2 3.89Å; V75-I108 HydrophobicContact CG2-CG2 3.88Å; V75-L120 HydrophobicContact CG2-CD2 4.22Å
76	Y	98.3	Very high	98.2	Very high	44 Å²	44	29.9 Å²	29.9	17%	0.173	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-49	-178.2	177.2	-102.5	0	0	0	112	N41 H43 P49 M52 G74 V109	N41-Y76 PolarHBondContact ND2-O 3.42Å; H43-Y76 HydrophobicContact CB-CD1 4.14Å; H43-Y76 HydrophobicContact CB-CD2 4.14Å; H43-Y76 HydrophobicContact CB-CE1 3.74Å; H43-Y76 HydrophobicContact CB-CE2 3.73Å; H43-Y76 HydrophobicContact CB-CG 4.35Å; H43-Y76 WeakPolarHBondContact CB-O 3.4Å; H43-Y76 AromaticContact CD2-CE2 3.64Å; H43-Y76 AromaticContact CE1-CD2 3.63Å; H43-Y76 AromaticContact CE1-CE2 3.81Å; H43-Y76 AromaticContact CG-CD2 3.65Å; H43-Y76 AromaticContact CG-CE2 3.34Å; H43-Y76 AromaticContact CG-CZ 3.7Å; H43-Y76 AromaticContact ND1-CD2 3.25Å; H43-Y76 VanDerWaalsContact ND1-CD2 3.25Å; H43-Y76 WeakPolarHBondContact ND1-CD2 3.35Å; H43-Y76 AromaticContact ND1-CE2 3.46Å; H43-Y76 WeakPolarHBondContact ND1-CE2 3.38Å; H43-Y76 AromaticContact ND1-CG 3.82Å; H43-Y76 PolarHBondContact ND1-O 3.16Å; H43-Y76 AromaticContact NE2-CE2 3.93Å; P49-Y76 HydrophobicContact CG-CD1 4.17Å; P49-Y76 HydrophobicContact CG-CD2 4.42Å; P49-Y76 HydrophobicContact CG-CE1 3.64Å; P49-Y76 HydrophobicContact CG-CE2 3.93Å; P49-Y76 VanDerWaalsContact CG-CZ 3.5Å; M52-Y76 HydrophobicContact CE-CD2 3.52Å; M52-Y76 HydrophobicContact CE-CE2 4.2Å; M52-Y76 HydrophobicContact CE-CG 3.75Å; M52-Y76 WeakPolarHBondContact SD-CB 3.48Å; M52-Y76 HydrophobicContact SD-CD1 3.84Å; M52-Y76 HydrophobicContact SD-CD2 3.83Å; M52-Y76 HydrophobicContact SD-CG 3.42Å; G74-Y76 PolarHBondContact O-N 3.39Å; Y76-V109 HydrophobicContact CD1-CB 4.3Å; Y76-V109 HydrophobicContact CD1-CG1 3.94Å; Y76-V109 HydrophobicContact CG-CG1 4.46Å; Y76-V109 PolarHBondContact N-O 3.15Å
77	S	98.5	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	153.1	174	58.8	0	0	0	0	110.8	S44 V109	S44-S77 PolarHBondContact O-OG 3.38Å; S44-S77 VanDerWaalsContact O-OG 3.06Å; S77-V109 PolarHBondContact N-O 2.75Å; S77-V109 PolarHBondContact O-N 3.18Å
78	T	98.8	Very high	98.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	156.7	170.8	55.2	0	0	0	0	110.2	H38 E66 F69 W70 V75 V106 R107 I108 Q198	H38-T78 PolarHBondContact CD2-O 3.45Å; H38-T78 PolarHBondContact NE2-N 3.13Å; H38-T78 PolarHBondContact NE2-O 3.1Å; H38-T78 PolarHBondContact NE2-OG1 3.06Å; E66-T78 VanDerWaalsContact CG-OG1 3.31Å; E66-T78 WeakPolarHBondContact CG-OG1 3.37Å; E66-T78 PolarHBondContact OE1-OG1 2.79Å; F69-T78 HydrophobicContact CB-CG2 3.86Å; W70-T78 HydrophobicContact CB-CG2 4.05Å; V75-T78 HydrophobicContact CG1-CG2 3.81Å; T78-V106 HydrophobicContact CG2-CG1 4.34Å; T78-R107 CarbonylContact C-O 3.49Å; T78-R107 WeakPolarHBondContact CA-O 3.48Å; T78-I108 HydrophobicContact CG2-CG1 4.4Å; T78-I108 HydrophobicContact CG2-CG2 4.5Å; T78-Q198 PolarHBondContact O-NE2 2.7Å
79	A	98.7	Very high	98.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	135.8	169.6	0	0	0	0	0	110.5	M45 V106 R107 F189 Y191	M45-A79 HydrophobicContact CE-CB 3.68Å; A79-V106 WeakPolarHBondContact O-CA 3.49Å; A79-R107 HydrophobicContact CB-CB 4.45Å; A79-R107 PolarHBondContact N-O 3.06Å; A79-R107 PolarHBondContact O-N 3.41Å; A79-F189 HydrophobicContact CB-CE1 4.31Å; A79-F189 HydrophobicContact CB-CZ 4.45Å; A79-F189 WeakPolarHBondContact O-CZ 3.46Å; A79-Y191 HydrophobicContact CB-CD1 3.78Å; A79-Y191 HydrophobicContact CB-CE1 3.5Å
80	A	98.7	Very high	98.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.2	169.4	0	0	0	0	0	110.2	F62 A192 H196 Q197	F62-A80 HydrophobicContact CD1-CB 3.15Å; F62-A80 HydrophobicContact CE1-CB 3.36Å; F62-A80 HydrophobicContact CG-CB 4.24Å; A80-A192 HydrophobicContact CB-CB 4.38Å; A80-A192 PolarHBondContact O-N 3.31Å; A80-H196 HydrophobicContact CB-CB 4.48Å; A80-Q197 PolarHBondContact O-NE2 3.27Å
81	G	98.7	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	-164.2	179.1	0	0	0	0	0	115.2	A105 F189 Y190	G81-A105 PolarHBondContact N-O 3.36Å; G81-A105 PolarHBondContact O-N 3.01Å; G81-A105 VanDerWaalsContact O-O 3.12Å; G81-F189 VanDerWaalsContact CA-CZ 3.44Å; G81-Y190 CarbonylContact C-O 3.52Å; G81-Y190 WeakPolarHBondContact CA-O 3.48Å
82	Y	98.7	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.6	-170.4	-42.6	-63.5	0	0	0	110.5	P90 Y92 V95 A103 E104 Y190 A192 E193	Y82-P90 HydrophobicContact CD2-CG 3.77Å; Y82-P90 HydrophobicContact CG-CG 4.17Å; Y82-Y92 HydrophobicContact CE1-CD2 4.42Å; Y82-Y92 WeakPolarHBondContact OH-CA 3.33Å; Y82-Y92 VanDerWaalsContact OH-CB 3.26Å; Y82-Y92 WeakPolarHBondContact OH-CB 3.31Å; Y82-Y92 PolarHBondContact OH-N 3.46Å; Y82-V95 HydrophobicContact CD1-CB 4.09Å; Y82-V95 HydrophobicContact CD1-CG1 3.87Å; Y82-V95 HydrophobicContact CD1-CG2 3.53Å; Y82-V95 HydrophobicContact CD2-CG2 3.95Å; Y82-V95 HydrophobicContact CE1-CB 4.14Å; Y82-V95 HydrophobicContact CE1-CG1 4.14Å; Y82-V95 HydrophobicContact CE1-CG2 3.86Å; Y82-V95 HydrophobicContact CE2-CG2 4.24Å; Y82-V95 HydrophobicContact CG-CG2 3.58Å; Y82-A103 WeakPolarHBondContact CA-O 3.45Å; Y82-E104 HydrophobicContact CD1-CG 4.4Å; Y82-E104 HydrophobicContact CE1-CG 4.31Å; Y82-Y190 PolarHBondContact N-O 3.17Å; Y82-Y190 PolarHBondContact O-N 2.94Å; Y82-A192 HydrophobicContact CE1-CB 4.37Å; Y82-A192 HydrophobicContact CE2-CB 3.86Å; Y82-A192 WeakPolarHBondContact OH-CB 3.4Å; Y82-E193 PolarHBondContact OH-OE2 2.87Å
83	T	98.6	Very high	98.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	172.9	176.3	-165.6	0	0	0	0	111.3	I56 G85 H102 A103 A105 Y149 T187 P188 F189	I56-T83 HydrophobicContact CG2-CG2 3.83Å; T83-G85 VanDerWaalsContact C-N 3.33Å; T83-H102 WeakPolarHBondContact CA-ND1 3.39Å; T83-H102 PolarHBondContact N-ND1 3.06Å; T83-H102 CarbonylContact O-C 3.43Å; T83-H102 WeakPolarHBondContact O-CA 3.5Å; T83-H102 PolarHBondContact O-ND1 3.09Å; T83-A103 PolarHBondContact N-O 3.5Å; T83-A103 PolarHBondContact O-N 3.28Å; T83-A105 HydrophobicContact CG2-CB 3.77Å; T83-Y149 HydrophobicContact CG2-CD2 3.45Å; T83-Y149 VanDerWaalsContact CG2-CD2 3.45Å; T83-Y149 HydrophobicContact CG2-CE2 3.45Å; T83-Y149 VanDerWaalsContact CG2-CE2 3.45Å; T83-Y149 HydrophobicContact CG2-CG 4.11Å; T83-T187 PolarHBondContact OG1-O 3.33Å; T83-T187 VanDerWaalsContact OG1-O 3.1Å; T83-T187 PolarHBondContact OG1-OG1 2.75Å; T83-P188 PolarHBondContact OG1-O 2.88Å; T83-F189 HydrophobicContact CG2-CD2 4.48Å
84	G	97.7	Very high	98	Very high	14 Å²	14	29.7 Å²	29.7	14%	0.144	14%	0.141	C	C	.	.	S	Bend	trans	82.6	7.6	-177.7	0	0	0	0	0	114.4	R145 T187	G84-R145 PolarHBondContact O-NH2 3.28Å; G84-T187 WeakPolarHBondContact CA-OG1 3.41Å; G84-T187 PolarHBondContact N-OG1 3.44Å
85	G	97.1	Very high	98	Very high	11 Å²	11	28.8 Å²	28.8	11%	0.113	13%	0.132	C	C	.	.	S	Bend	trans	-124.5	-162.1	-179.9	0	0	0	0	0	113.5	T83 G101 H102	T83-G85 VanDerWaalsContact C-N 3.33Å; G85-G101 WeakPolarHBondContact CA-O 3.4Å; G85-H102 VanDerWaalsContact CA-ND1 3.3Å; G85-H102 WeakPolarHBondContact CA-ND1 3.24Å; G85-H102 PolarHBondContact N-CE1 2.77Å; G85-H102 PolarHBondContact N-ND1 3.05Å; G85-H102 PolarHBondContact O-CE1 3.29Å
86	Y	96.9	Very high	97.8	Very high	111 Å²	111	29.5 Å²	29.5	44%	0.435	14%	0.137	S	C	.	.	S	Bend	trans	-116.1	-31.2	-166.5	-46.3	-64.5	0	0	0	113.4	V19 P21 A24 P88 T100	V19-Y86 HydrophobicContact CG1-CD2 4.31Å; V19-Y86 HydrophobicContact CG1-CE2 4.47Å; V19-Y86 WeakPolarHBondContact O-CE2 3.48Å; P21-Y86 HydrophobicContact CB-CD1 4.16Å; P21-Y86 HydrophobicContact CB-CD2 4.45Å; P21-Y86 HydrophobicContact CB-CE1 4.27Å; P21-Y86 HydrophobicContact CB-CG 4.25Å; P21-Y86 HydrophobicContact CG-CD1 4.14Å; P21-Y86 HydrophobicContact CG-CD2 4.46Å; P21-Y86 HydrophobicContact CG-CE1 3.74Å; P21-Y86 HydrophobicContact CG-CE2 4.07Å; P21-Y86 HydrophobicContact CG-CG 4.49Å; A24-Y86 HydrophobicContact CB-CD2 3.96Å; A24-Y86 HydrophobicContact CB-CG 4.36Å; Y86-P88 WeakPolarHBondContact O-CD 3.4Å; Y86-T100 PolarHBondContact N-O 3.44Å
87	T	97.8	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.			trans	-73.5	119.5	-173.6	-61.2	0	0	0	0	111.5	L25 P90 T100 H102	L25-T87 HydrophobicContact CB-CG2 4.02Å; L25-T87 PolarHBondContact N-OG1 2.96Å; L25-T87 WeakPolarHBondContact O-CB 3.31Å; L25-T87 VanDerWaalsContact O-CG2 3.29Å; L25-T87 WeakPolarHBondContact O-CG2 3.43Å; L25-T87 PolarHBondContact O-OG1 3.46Å; T87-P90 HydrophobicContact CG2-CB 3.97Å; T87-P90 WeakPolarHBondContact O-CD 3.38Å; T87-T100 HydrophobicContact CG2-CG2 4.05Å; T87-T100 PolarHBondContact N-O 3.24Å; T87-T100 VanDerWaalsContact OG1-CA 3.26Å; T87-T100 WeakPolarHBondContact OG1-CA 3.44Å; T87-T100 WeakPolarHBondContact OG1-CB 3.46Å; T87-H102 PolarHBondContact O-NE2 3.33Å
88	P	98.1	Very high	97.5	Very high	39 Å²	39	29.7 Å²	29.7	25%	0.253	15%	0.146	S	C	.	.	S	Bend	trans	-74	137.9	179.1	28.5	-34.2	0	0	0	112.6	P26 G27 R28 Y86 Y190	P26-P88 WeakPolarHBondContact O-CD 3.3Å; P26-P88 WeakPolarHBondContact O-CG 3.39Å; G27-P88 VanDerWaalsContact CA-O 3.3Å; G27-P88 WeakPolarHBondContact CA-O 3.39Å; R28-P88 PolarHBondContact N-O 3.45Å; Y86-P88 WeakPolarHBondContact O-CD 3.4Å; P88-Y190 HydrophobicContact CB-CE1 4.46Å
89	N	97.9	Very high	97.4	Very high	21 Å²	21	32.6 Å²	32.6	11%	0.112	16%	0.161	C	C	.	.	S	Bend	trans	48.9	48.3	176.4	-56.5	-62	0	0	0	113.8	R28 N29 T30 P31 Y190	R28-N89 WeakPolarHBondContact CD-O 3.35Å; R28-N89 HydrophobicContact CG-CB 3.65Å; R28-N89 WeakPolarHBondContact CG-O 3.33Å; R28-N89 PolarHBondContact NH1-O 2.87Å; R28-N89 PolarHBondContact O-ND2 2.93Å; N29-N89 PolarHBondContact O-ND2 3.48Å; T30-N89 WeakPolarHBondContact O-CB 3.33Å; P31-N89 VanDerWaalsContact CA-OD1 3.27Å; P31-N89 WeakPolarHBondContact CA-OD1 3.44Å; N89-Y190 HydrophobicContact CB-CD1 4.27Å; N89-Y190 VanDerWaalsContact OD1-CD1 3.28Å; N89-Y190 WeakPolarHBondContact OD1-CD1 3.41Å
90	P	98	Very high	97.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.			trans	-68.2	157.5	-174.3	34.7	-37.2	0	0	0	111.5	Y82 T87 E94 V95 T100	Y82-P90 HydrophobicContact CD2-CG 3.77Å; Y82-P90 HydrophobicContact CG-CG 4.17Å; T87-P90 HydrophobicContact CG2-CB 3.97Å; T87-P90 WeakPolarHBondContact O-CD 3.38Å; P90-E94 WeakPolarHBondContact CA-OE2 3.28Å; P90-E94 HydrophobicContact CB-CB 4.41Å; P90-V95 HydrophobicContact CB-CG2 3.87Å; P90-V95 HydrophobicContact CG-CG2 3.82Å; P90-T100 HydrophobicContact CB-CG2 4.08Å
91	T	97.7	Very high	97.3	Very high	34 Å²	34	32.6 Å²	32.6	21%	0.209	16%	0.161	C	C	.	.			trans	-88.1	161.1	166.5	58.4	0	0	0	0	110.2	R93 E94 V95 E193	T91-R93 PolarHBondContact O-N 3.03Å; T91-E94 PolarHBondContact N-OE2 2.91Å; T91-E94 PolarHBondContact O-N 2.91Å; T91-E94 WeakPolarHBondContact OG1-CG 3.41Å; T91-E94 PolarHBondContact OG1-N 2.83Å; T91-E94 PolarHBondContact OG1-OE2 3.21Å; T91-V95 PolarHBondContact O-N 2.76Å; T91-E193 VanDerWaalsContact CA-OE1 3.24Å; T91-E193 WeakPolarHBondContact CA-OE1 3.47Å; T91-E193 VanDerWaalsContact CB-OE1 3.3Å; T91-E193 WeakPolarHBondContact CB-OE1 3.48Å
92	Y	97.4	Very high	97.3	Very high	61 Å²	61	32.7 Å²	32.7	24%	0.239	16%	0.162	C	C	.	.	H	α-helix	trans	-51.6	-41.7	172.1	-178.3	-108.6	0	0	0	112.5	F62 Y82 E94 V95 C96 E104 E193 H196	F62-Y92 HydrophobicContact CE2-CE2 4.13Å; F62-Y92 HydrophobicContact CZ-CD2 4.3Å; F62-Y92 HydrophobicContact CZ-CE2 4.36Å; Y82-Y92 HydrophobicContact CE1-CD2 4.42Å; Y82-Y92 WeakPolarHBondContact OH-CA 3.33Å; Y82-Y92 VanDerWaalsContact OH-CB 3.26Å; Y82-Y92 WeakPolarHBondContact OH-CB 3.31Å; Y82-Y92 PolarHBondContact OH-N 3.46Å; Y92-E94 VanDerWaalsContact C-N 3.34Å; Y92-E94 PolarHBondContact O-N 2.81Å; Y92-V95 PolarHBondContact O-N 2.7Å; Y92-C96 WeakPolarHBondContact CE1-SG 3.17Å; Y92-C96 VanDerWaalsContact O-CB 3.29Å; Y92-C96 WeakPolarHBondContact O-CB 3.3Å; Y92-C96 PolarHBondContact O-N 2.7Å; Y92-C96 PolarHBondContact O-SG 2.97Å; Y92-E104 WeakPolarHBondContact CE2-OE1 3.41Å; Y92-E193 PolarHBondContact N-OE1 3.33Å; Y92-E193 PolarHBondContact N-OE2 3.46Å; Y92-H196 WeakPolarHBondContact CB-NE2 3.38Å; Y92-H196 AromaticContact CD1-NE2 3.87Å; Y92-H196 AromaticContact CD2-CE1 3.79Å; Y92-H196 AromaticContact CD2-NE2 3.62Å; Y92-H196 AromaticContact CG-CE1 3.74Å; Y92-H196 AromaticContact CG-NE2 3.33Å; Y92-H196 VanDerWaalsContact CG-NE2 3.33Å
93	R	96.7	Very high	97.3	Very high	215 Å²	215	32.7 Å²	32.7	81%	0.811	16%	0.162	S	C	*	.	H	α-helix	trans	-61.6	-41.1	178.6	178.2	179.5	-73.2	177	-1.5	112.3	T91 S97	T91-R93 PolarHBondContact O-N 3.03Å; R93-S97 PolarHBondContact O-N 3.1Å
94	E	97.5	Very high	97.3	Very high	39 Å²	39	32.7 Å²	32.7	18%	0.182	16%	0.162	C	C	.	.	H	α-helix	trans	-69	-44.1	178.6	-69.3	165.1	142.2	0	0	110.5	L25 R28 P90 T91 Y92 C96 S97 T100	L25-E94 HydrophobicContact CD1-CB 3.73Å; L25-E94 HydrophobicContact CD1-CG 3.86Å; R28-E94 IonicContact CZ-OE1 3.8Å; R28-E94 IonicContact CZ-OE2 3.31Å; R28-E94 VanDerWaalsContact CZ-OE2 3.31Å; R28-E94 IonicContact NH1-OE1 3.94Å; R28-E94 IonicContact NH1-OE2 2.77Å; R28-E94 PolarHBondContact NH1-OE2 3.37Å; R28-E94 IonicContact NH2-OE1 2.8Å; R28-E94 PolarHBondContact NH2-OE1 3.17Å; R28-E94 IonicContact NH2-OE2 2.89Å; R28-E94 PolarHBondContact NH2-OE2 2.89Å; P90-E94 WeakPolarHBondContact CA-OE2 3.28Å; P90-E94 HydrophobicContact CB-CB 4.41Å; T91-E94 PolarHBondContact N-OE2 2.91Å; T91-E94 PolarHBondContact O-N 2.91Å; T91-E94 WeakPolarHBondContact OG1-CG 3.41Å; T91-E94 PolarHBondContact OG1-N 2.83Å; T91-E94 PolarHBondContact OG1-OE2 3.21Å; Y92-E94 VanDerWaalsContact C-N 3.34Å; Y92-E94 PolarHBondContact O-N 2.81Å; E94-C96 VanDerWaalsContact C-N 3.31Å; E94-C96 PolarHBondContact O-N 3.45Å; E94-S97 PolarHBondContact O-N 2.63Å; E94-S97 VanDerWaalsContact O-N 3.12Å; E94-S97 PolarHBondContact O-OG 3.3Å; E94-T100 HydrophobicContact CB-CG2 3.87Å; E94-T100 WeakPolarHBondContact O-CG2 3.36Å
95	V	97.7	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.3	-43.2	175.5	174.6	0	0	0	0	111	Y82 P90 T91 Y92 S97 G98 T100 E104 Q143	Y82-V95 HydrophobicContact CD1-CB 4.09Å; Y82-V95 HydrophobicContact CD1-CG1 3.87Å; Y82-V95 HydrophobicContact CD1-CG2 3.53Å; Y82-V95 HydrophobicContact CD2-CG2 3.95Å; Y82-V95 HydrophobicContact CE1-CB 4.14Å; Y82-V95 HydrophobicContact CE1-CG1 4.14Å; Y82-V95 HydrophobicContact CE1-CG2 3.86Å; Y82-V95 HydrophobicContact CE2-CG2 4.24Å; Y82-V95 HydrophobicContact CG-CG2 3.58Å; P90-V95 HydrophobicContact CB-CG2 3.87Å; P90-V95 HydrophobicContact CG-CG2 3.82Å; T91-V95 PolarHBondContact O-N 2.76Å; Y92-V95 PolarHBondContact O-N 2.7Å; V95-S97 PolarHBondContact O-N 3.39Å; V95-G98 PolarHBondContact O-N 3Å; V95-T100 HydrophobicContact CG2-CG2 4.35Å; V95-E104 HydrophobicContact CG1-CG 4.4Å; V95-Q143 HydrophobicContact CG1-CB 3.62Å; V95-Q143 HydrophobicContact CG1-CG 4.18Å
96	C	95.3	Very high	97.4	Very high	30 Å²	30	31.5 Å²	31.5	20%	0.203	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-19.9	177.3	-80.2	0	0	0	0	114.4	K15 Y92 E94 G98	K15-C96 PolarHBondContact NZ-O 3.11Å; Y92-C96 WeakPolarHBondContact CE1-SG 3.17Å; Y92-C96 VanDerWaalsContact O-CB 3.29Å; Y92-C96 WeakPolarHBondContact O-CB 3.3Å; Y92-C96 PolarHBondContact O-N 2.7Å; Y92-C96 PolarHBondContact O-SG 2.97Å; E94-C96 VanDerWaalsContact C-N 3.31Å; E94-C96 PolarHBondContact O-N 3.45Å; C96-G98 VanDerWaalsContact C-N 3.28Å
97	S	95.2	Very high	97.5	Very high	41 Å²	41	27.1 Å²	27.1	29%	0.287	13%	0.132	S	C	.	.	H	α-helix	trans	-71.3	-28.6	174.9	83.9	0	0	0	0	111.6	K15 R93 E94 V95 D99	K15-S97 WeakPolarHBondContact CE-O 3.42Å; R93-S97 PolarHBondContact O-N 3.1Å; E94-S97 PolarHBondContact O-N 2.63Å; E94-S97 VanDerWaalsContact O-N 3.12Å; E94-S97 PolarHBondContact O-OG 3.3Å; V95-S97 PolarHBondContact O-N 3.39Å; S97-D99 WeakPolarHBondContact CB-OD2 3.27Å; S97-D99 WeakPolarHBondContact OG-CB 3.48Å; S97-D99 VanDerWaalsContact OG-CG 3.23Å; S97-D99 PolarHBondContact OG-N 2.9Å; S97-D99 VanDerWaalsContact OG-N 3.14Å; S97-D99 PolarHBondContact OG-OD2 3.11Å
98	G	95	Very high	97.6	Very high	6 Å²	6	27.1 Å²	27.1	6%	0.062	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	-6.7	-171.9	0	0	0	0	0	113.3	V95 C96 T100	V95-G98 PolarHBondContact O-N 3Å; C96-G98 VanDerWaalsContact C-N 3.28Å; G98-T100 VanDerWaalsContact C-N 3.29Å; G98-T100 PolarHBondContact O-N 2.88Å
99	D	96.8	Very high	97.6	Very high	62 Å²	62	25.3 Å²	25.3	33%	0.332	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	13.4	-171.2	-52.8	-48.2	0	0	0	113.4	A24 L25 S97	A24-D99 CarbonylContact C-O 3.27Å; A24-D99 VanDerWaalsContact CA-O 3.24Å; A24-D99 WeakPolarHBondContact CA-O 3.44Å; L25-D99 HydrophobicContact CD1-CB 3.97Å; L25-D99 HydrophobicContact CD2-CB 4.47Å; L25-D99 HydrophobicContact CG-CB 3.75Å; L25-D99 PolarHBondContact N-O 2.84Å; S97-D99 WeakPolarHBondContact CB-OD2 3.27Å; S97-D99 WeakPolarHBondContact OG-CB 3.48Å; S97-D99 VanDerWaalsContact OG-CG 3.23Å; S97-D99 PolarHBondContact OG-N 2.9Å; S97-D99 VanDerWaalsContact OG-N 3.14Å; S97-D99 PolarHBondContact OG-OD2 3.11Å
100	T	97.8	Very high	97.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-19.1	176.4	68.4	0	0	0	0	113.9	L25 Y86 T87 P90 E94 V95 G98 H102	L25-T100 HydrophobicContact CD1-CG2 4.16Å; Y86-T100 PolarHBondContact N-O 3.44Å; T87-T100 HydrophobicContact CG2-CG2 4.05Å; T87-T100 PolarHBondContact N-O 3.24Å; T87-T100 VanDerWaalsContact OG1-CA 3.26Å; T87-T100 WeakPolarHBondContact OG1-CA 3.44Å; T87-T100 WeakPolarHBondContact OG1-CB 3.46Å; P90-T100 HydrophobicContact CB-CG2 4.08Å; E94-T100 HydrophobicContact CB-CG2 3.87Å; E94-T100 WeakPolarHBondContact O-CG2 3.36Å; V95-T100 HydrophobicContact CG2-CG2 4.35Å; G98-T100 VanDerWaalsContact C-N 3.29Å; G98-T100 PolarHBondContact O-N 2.88Å; T100-H102 PolarHBondContact O-N 2.91Å; T100-H102 PolarHBondContact OG1-N 3.39Å
101	G	97	Very high	97.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.			trans	73.2	-9.5	-169.2	0	0	0	0	0	114.5	G85 R145	G85-G101 WeakPolarHBondContact CA-O 3.4Å; G101-R145 PolarHBondContact O-NH1 3.06Å; G101-R145 PolarHBondContact O-NH2 3.21Å
102	H	98.2	Very high	97.7	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-73.6	145	-176.1	-70.4	-63.4	0	0	0	111.8	T83 G85 T87 T100 Q143 R145 Y190	T83-H102 WeakPolarHBondContact CA-ND1 3.39Å; T83-H102 PolarHBondContact N-ND1 3.06Å; T83-H102 CarbonylContact O-C 3.43Å; T83-H102 WeakPolarHBondContact O-CA 3.5Å; T83-H102 PolarHBondContact O-ND1 3.09Å; G85-H102 VanDerWaalsContact CA-ND1 3.3Å; G85-H102 WeakPolarHBondContact CA-ND1 3.24Å; G85-H102 PolarHBondContact N-CE1 2.77Å; G85-H102 PolarHBondContact N-ND1 3.05Å; G85-H102 PolarHBondContact O-CE1 3.29Å; T87-H102 PolarHBondContact O-NE2 3.33Å; T100-H102 PolarHBondContact O-N 2.91Å; T100-H102 PolarHBondContact OG1-N 3.39Å; H102-Q143 WeakPolarHBondContact O-CA 3.42Å; H102-R145 PolarHBondContact O-NH1 2.75Å; H102-Y190 AromaticContact CE1-CD2 3.8Å; H102-Y190 AromaticContact CE1-CE2 3.69Å; H102-Y190 AromaticContact NE2-CD2 3.84Å; H102-Y190 AromaticContact NE2-CE2 3.78Å
103	A	98.4	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	149.5	158.9	0	0	0	0	0	109.9	A58 Y82 T83 A105 Q143 R145 Y149	A58-A103 HydrophobicContact CB-CB 3.62Å; Y82-A103 WeakPolarHBondContact CA-O 3.45Å; T83-A103 PolarHBondContact N-O 3.5Å; T83-A103 PolarHBondContact O-N 3.28Å; A103-A105 PolarHBondContact O-N 3.22Å; A103-Q143 WeakPolarHBondContact CA-O 3.38Å; A103-R145 HydrophobicContact CB-CG 4.29Å; A103-Y149 HydrophobicContact CB-CE2 4.44Å
104	E	98.7	Very high	97.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	122.9	155.6	-70.4	-177	-163.9	0	0	108.2	A58 C61 F62 Y82 Y92 V95 Q143 Y144	A58-E104 WeakPolarHBondContact CA-O 3.44Å; A58-E104 WeakPolarHBondContact CB-O 3.25Å; C61-E104 WeakPolarHBondContact CA-OE2 3.49Å; F62-E104 HydrophobicContact CB-CB 4.15Å; F62-E104 HydrophobicContact CD2-CB 4.27Å; F62-E104 HydrophobicContact CD2-CG 4.22Å; F62-E104 WeakPolarHBondContact CD2-OE2 3.48Å; F62-E104 HydrophobicContact CE2-CG 4.37Å; F62-E104 VanDerWaalsContact CE2-OE2 3.3Å; F62-E104 WeakPolarHBondContact CE2-OE2 3.46Å; F62-E104 HydrophobicContact CG-CB 4.21Å; F62-E104 PolarHBondContact N-OE2 3.47Å; Y82-E104 HydrophobicContact CD1-CG 4.4Å; Y82-E104 HydrophobicContact CE1-CG 4.31Å; Y92-E104 WeakPolarHBondContact CE2-OE1 3.41Å; V95-E104 HydrophobicContact CG1-CG 4.4Å; E104-Q143 HydrophobicContact CG-CB 4.5Å; E104-Q143 PolarHBondContact N-O 2.97Å; E104-Y144 VanDerWaalsContact CD-CE1 3.5Å; E104-Y144 WeakPolarHBondContact OE1-CE1 3.43Å
105	A	98.8	Very high	97.9	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.7	-174.7	0	0	0	0	0	111.2	I56 F57 A58 G81 T83 A103 F189	I56-A105 HydrophobicContact CG2-CB 4.09Å; F57-A105 CarbonylContact O-C 3.58Å; F57-A105 VanDerWaalsContact O-CA 3.28Å; F57-A105 WeakPolarHBondContact O-CA 3.36Å; A58-A105 HydrophobicContact CB-CB 4.23Å; G81-A105 PolarHBondContact N-O 3.36Å; G81-A105 PolarHBondContact O-N 3.01Å; G81-A105 VanDerWaalsContact O-O 3.12Å; T83-A105 HydrophobicContact CG2-CB 3.77Å; A103-A105 PolarHBondContact O-N 3.22Å; A105-F189 HydrophobicContact CB-CE2 4.38Å
106	V	98.8	Very high	97.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124	173.2	178.2	0	0	0	0	108.8	I56 F57 F62 V65 E66 T78 A79 I108	I56-V106 WeakPolarHBondContact CA-O 3.33Å; F57-V106 PolarHBondContact N-O 3.22Å; F57-V106 VanDerWaalsContact N-O 3.13Å; F57-V106 PolarHBondContact O-N 2.77Å; F62-V106 HydrophobicContact CB-CG2 4.11Å; V65-V106 HydrophobicContact CB-CG2 3.77Å; V65-V106 HydrophobicContact CG1-CB 4.11Å; V65-V106 HydrophobicContact CG1-CG2 3.59Å; E66-V106 HydrophobicContact CB-CG1 4.31Å; E66-V106 HydrophobicContact CB-CG2 3.88Å; E66-V106 HydrophobicContact CG-CG1 3.99Å; E66-V106 HydrophobicContact CG-CG2 4.32Å; T78-V106 HydrophobicContact CG2-CG1 4.34Å; A79-V106 WeakPolarHBondContact O-CA 3.49Å; V106-I108 HydrophobicContact CG1-CG1 3.85Å
107	R	98.8	Very high	98.1	Very high	19 Å²	19	22.2 Å²	22.2	7%	0.072	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.4	167.1	176.8	179.5	176.9	-88.4	-4.5	108.6	M45 I54 T78 A79 V109 F189 Y191	M45-R107 PolarHBondContact O-NH1 3.13Å; I54-R107 VanDerWaalsContact CD1-NH2 3.33Å; I54-R107 HydrophobicContact CG2-CG 3.82Å; T78-R107 CarbonylContact C-O 3.49Å; T78-R107 WeakPolarHBondContact CA-O 3.48Å; A79-R107 HydrophobicContact CB-CB 4.45Å; A79-R107 PolarHBondContact N-O 3.06Å; A79-R107 PolarHBondContact O-N 3.41Å; R107-V109 VanDerWaalsContact NH1-CG2 3.32Å; R107-F189 HydrophobicContact CB-CD1 4.19Å; R107-F189 HydrophobicContact CB-CD2 4.02Å; R107-F189 HydrophobicContact CB-CE1 3.83Å; R107-F189 HydrophobicContact CB-CE2 3.65Å; R107-F189 HydrophobicContact CB-CG 4.27Å; R107-F189 HydrophobicContact CB-CZ 3.53Å; R107-Y191 PolarHBondContact NH1-OH 3.26Å
108	I	98.9	Very high	98.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.4	-175.6	-54	157.3	0	0	0	107.3	I54 A55 F57 F69 V75 T78 V106 L120	I54-I108 CarbonylContact C-O 3.5Å; I54-I108 VanDerWaalsContact CA-O 3.26Å; I54-I108 WeakPolarHBondContact CA-O 3.46Å; A55-I108 HydrophobicContact CB-CB 4.32Å; A55-I108 HydrophobicContact CB-CD1 4.34Å; A55-I108 PolarHBondContact N-O 3.46Å; A55-I108 PolarHBondContact O-N 3.5Å; F57-I108 HydrophobicContact CD2-CD1 3.55Å; F57-I108 HydrophobicContact CE2-CD1 3.86Å; F69-I108 HydrophobicContact CB-CD1 4.08Å; F69-I108 HydrophobicContact CB-CG1 4.04Å; F69-I108 HydrophobicContact CD1-CD1 3.46Å; F69-I108 VanDerWaalsContact CD1-CD1 3.46Å; F69-I108 HydrophobicContact CD1-CG1 4.29Å; F69-I108 HydrophobicContact CD2-CD1 3.61Å; F69-I108 HydrophobicContact CD2-CG1 4.24Å; F69-I108 HydrophobicContact CE1-CD1 3.7Å; F69-I108 HydrophobicContact CE2-CD1 3.85Å; F69-I108 HydrophobicContact CG-CD1 3.42Å; F69-I108 VanDerWaalsContact CG-CD1 3.42Å; F69-I108 HydrophobicContact CG-CG1 3.93Å; F69-I108 HydrophobicContact CZ-CD1 3.9Å; V75-I108 HydrophobicContact CG1-CG2 3.89Å; V75-I108 HydrophobicContact CG2-CG2 3.88Å; T78-I108 HydrophobicContact CG2-CG1 4.4Å; T78-I108 HydrophobicContact CG2-CG2 4.5Å; V106-I108 HydrophobicContact CG1-CG1 3.85Å; I108-L120 HydrophobicContact CG2-CD1 4.46Å; I108-L120 HydrophobicContact CG2-CD2 4.43Å
109	V	98.8	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.2	169	-175.5	0	0	0	0	107.6	V48 M52 E53 Y76 S77 R107	V48-V109 HydrophobicContact CG1-CG1 3.91Å; V48-V109 HydrophobicContact CG2-CG1 4.31Å; V48-V109 HydrophobicContact CG2-CG2 4.05Å; M52-V109 HydrophobicContact CB-CG1 3.93Å; M52-V109 HydrophobicContact SD-CG1 3.89Å; E53-V109 WeakPolarHBondContact O-CA 3.47Å; Y76-V109 HydrophobicContact CD1-CB 4.3Å; Y76-V109 HydrophobicContact CD1-CG1 3.94Å; Y76-V109 HydrophobicContact CG-CG1 4.46Å; Y76-V109 PolarHBondContact N-O 3.15Å; S77-V109 PolarHBondContact N-O 2.75Å; S77-V109 PolarHBondContact O-N 3.18Å; R107-V109 VanDerWaalsContact NH1-CG2 3.32Å
110	Y	98.8	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154.8	-175.5	67.5	-85.7	0	0	0	112.7	M52 E53 A55 G74 P112 I115 L120 Q155	M52-Y110 VanDerWaalsContact CA-O 3.32Å; M52-Y110 WeakPolarHBondContact CA-O 3.32Å; M52-Y110 VanDerWaalsContact CB-O 3.32Å; M52-Y110 WeakPolarHBondContact CB-O 3.39Å; E53-Y110 HydrophobicContact CB-CD1 4.33Å; E53-Y110 HydrophobicContact CB-CD2 4.46Å; E53-Y110 HydrophobicContact CB-CE1 3.7Å; E53-Y110 HydrophobicContact CB-CE2 3.82Å; E53-Y110 WeakPolarHBondContact CB-OH 3.2Å; E53-Y110 PolarHBondContact N-O 3.25Å; E53-Y110 WeakPolarHBondContact O-CD1 3.25Å; E53-Y110 PolarHBondContact O-N 3.2Å; E53-Y110 PolarHBondContact OE2-OH 3.18Å; A55-Y110 HydrophobicContact CB-CD1 4.37Å; A55-Y110 HydrophobicContact CB-CE1 3.93Å; G74-Y110 CarbonylContact O-C 3.59Å; G74-Y110 WeakPolarHBondContact O-CA 3.5Å; Y110-P112 HydrophobicContact CE2-CB 4.12Å; Y110-P112 WeakPolarHBondContact O-CD 3.27Å; Y110-I115 HydrophobicContact CD2-CG2 4.11Å; Y110-I115 WeakPolarHBondContact CD2-O 3.44Å; Y110-I115 HydrophobicContact CG-CG2 4.34Å; Y110-L120 HydrophobicContact CD1-CD1 3.4Å; Y110-L120 HydrophobicContact CD2-CD1 4.09Å; Y110-L120 HydrophobicContact CE1-CD1 3.59Å; Y110-L120 HydrophobicContact CE2-CD1 4.29Å; Y110-L120 HydrophobicContact CG-CD1 3.66Å; Y110-Q155 PolarHBondContact OH-NE2 2.98Å
111	D	98.7	Very high	98.5	Very high	47 Å²	47	24.9 Å²	24.9	25%	0.251	14%	0.142	S	C	.	.			trans	-89.9	107.5	172.1	-176.2	-16.7	0	0	0	109.6	M52 G74 S113 V114 I115	M52-D111 HydrophobicContact CE-CB 4.48Å; G74-D111 PolarHBondContact O-N 3.43Å; D111-S113 VanDerWaalsContact CG-OG 3.25Å; D111-S113 PolarHBondContact O-N 3.2Å; D111-S113 VanDerWaalsContact O-N 3.1Å; D111-S113 VanDerWaalsContact OD1-CB 3.28Å; D111-S113 WeakPolarHBondContact OD1-CB 3.49Å; D111-S113 PolarHBondContact OD1-N 2.92Å; D111-S113 PolarHBondContact OD1-OG 3.2Å; D111-S113 PolarHBondContact OD2-OG 2.86Å; D111-V114 HydrophobicContact CB-CB 4.37Å; D111-V114 HydrophobicContact CB-CG2 4.23Å; D111-V114 PolarHBondContact O-N 3.1Å; D111-I115 PolarHBondContact O-N 2.98Å
112	P	98.6	Very high	98.6	Very high	49 Å²	49	28.7 Å²	28.7	32%	0.318	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.3	-178.8	27.8	-35.2	0	0	0	113.6	G51 E53 Y110 V114 I115	G51-P112 WeakPolarHBondContact O-CD 3.42Å; G51-P112 WeakPolarHBondContact O-CG 3.41Å; E53-P112 HydrophobicContact CG-CG 4.22Å; Y110-P112 HydrophobicContact CE2-CB 4.12Å; Y110-P112 WeakPolarHBondContact O-CD 3.27Å; P112-V114 VanDerWaalsContact C-N 3.33Å; P112-I115 WeakPolarHBondContact CA-O 3.4Å
113	S	98.3	Very high	98.6	Very high	102 Å²	102	29.8 Å²	29.8	71%	0.713	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.8	172.5	77.6	0	0	0	0	113.7	D111	D111-S113 VanDerWaalsContact CG-OG 3.25Å; D111-S113 PolarHBondContact O-N 3.2Å; D111-S113 VanDerWaalsContact O-N 3.1Å; D111-S113 VanDerWaalsContact OD1-CB 3.28Å; D111-S113 WeakPolarHBondContact OD1-CB 3.49Å; D111-S113 PolarHBondContact OD1-N 2.92Å; D111-S113 PolarHBondContact OD1-OG 3.2Å; D111-S113 PolarHBondContact OD2-OG 2.86Å
114	V	98.7	Very high	98.6	Very high	80 Å²	80	29.8 Å²	29.8	49%	0.485	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-40.6	-178.3	-177.4	0	0	0	0	111.9	G74 D111 P112	G74-V114 VanDerWaalsContact CA-CG1 3.47Å; D111-V114 HydrophobicContact CB-CB 4.37Å; D111-V114 HydrophobicContact CB-CG2 4.23Å; D111-V114 PolarHBondContact O-N 3.1Å; P112-V114 VanDerWaalsContact C-N 3.33Å
115	I	98.7	Very high	98.6	Very high	10 Å²	10	29.8 Å²	29.8	5%	0.051	17%	0.166	C	C	.	.	S	Bend	trans	-136.5	128.9	178.5	-170.2	167.9	0	0	0	110.6	L72 Y110 D111 P112 Q119 L120	L72-I115 HydrophobicContact CB-CD1 4Å; L72-I115 HydrophobicContact CD1-CD1 3.85Å; L72-I115 HydrophobicContact CG-CD1 4.5Å; Y110-I115 HydrophobicContact CD2-CG2 4.11Å; Y110-I115 WeakPolarHBondContact CD2-O 3.44Å; Y110-I115 HydrophobicContact CG-CG2 4.34Å; D111-I115 PolarHBondContact O-N 2.98Å; P112-I115 WeakPolarHBondContact CA-O 3.4Å; I115-Q119 HydrophobicContact CD1-CB 4.39Å; I115-Q119 HydrophobicContact CG1-CB 3.81Å; I115-L120 HydrophobicContact CD1-CD2 3.7Å; I115-L120 HydrophobicContact CD1-CG 4.27Å; I115-L120 HydrophobicContact CG1-CD2 4.32Å; I115-L120 HydrophobicContact CG1-CG 4.37Å
116	S	98.3	Very high	98.6	Very high	36 Å²	36	32 Å²	32	25%	0.252	18%	0.177	S	C	.	.			trans	-84.9	161.4	179.7	91.7	0	0	0	0	112.4	E118 Q119 L120	S116-E118 VanDerWaalsContact CB-OE2 3.3Å; S116-E118 WeakPolarHBondContact CB-OE2 3.37Å; S116-E118 PolarHBondContact O-N 3.45Å; S116-E118 PolarHBondContact OG-N 3.37Å; S116-E118 PolarHBondContact OG-OE2 3.4Å; S116-Q119 PolarHBondContact O-N 2.95Å; S116-Q119 PolarHBondContact OG-N 3.49Å; S116-L120 PolarHBondContact O-N 2.99Å; S116-L120 VanDerWaalsContact O-N 3.11Å
117	Y	98.6	Very high	98.6	Very high	11 Å²	11	34.4 Å²	34.4	4%	0.043	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-35.1	172.8	-172.3	-107.9	0	0	0	111.9	A55 F57 Q119 L120 L121 I148 Q155 A158	A55-Y117 HydrophobicContact CB-CD2 4.04Å; A55-Y117 HydrophobicContact CB-CE2 3.71Å; F57-Y117 HydrophobicContact CE1-CE2 4.16Å; F57-Y117 HydrophobicContact CZ-CE2 4.01Å; Y117-Q119 VanDerWaalsContact C-N 3.34Å; Y117-Q119 PolarHBondContact O-N 3.36Å; Y117-L120 CarbonylContact O-C 3.51Å; Y117-L120 WeakPolarHBondContact O-CB 3.42Å; Y117-L120 PolarHBondContact O-N 2.85Å; Y117-L121 HydrophobicContact CD1-CD1 3.62Å; Y117-L121 HydrophobicContact CD1-CG 4.05Å; Y117-L121 HydrophobicContact CE1-CD1 3.52Å; Y117-L121 HydrophobicContact CE1-CD2 4.08Å; Y117-L121 HydrophobicContact CE1-CG 3.81Å; Y117-L121 WeakPolarHBondContact O-CG 3.33Å; Y117-L121 PolarHBondContact O-N 2.93Å; Y117-I148 WeakPolarHBondContact OH-CG2 3.45Å; Y117-Q155 HydrophobicContact CD1-CB 4.21Å; Y117-Q155 HydrophobicContact CD1-CG 3.97Å; Y117-Q155 HydrophobicContact CD2-CG 3.88Å; Y117-Q155 HydrophobicContact CE1-CB 3.67Å; Y117-Q155 HydrophobicContact CE1-CG 3.85Å; Y117-Q155 WeakPolarHBondContact CE1-O 3.34Å; Y117-Q155 HydrophobicContact CE2-CB 4.2Å; Y117-Q155 HydrophobicContact CE2-CG 3.76Å; Y117-Q155 HydrophobicContact CG-CG 3.99Å; Y117-A158 HydrophobicContact CD1-CB 3.86Å; Y117-A158 HydrophobicContact CE1-CB 4.13Å
118	E	98.3	Very high	98.6	Very high	72 Å²	72	33.5 Å²	33.5	34%	0.336	19%	0.186	S	C	.	.	H	α-helix	trans	-64.8	-36.3	175.6	-61.5	67.9	-146.1	0	0	112	S116 L120 L121 Q122	S116-E118 VanDerWaalsContact CB-OE2 3.3Å; S116-E118 WeakPolarHBondContact CB-OE2 3.37Å; S116-E118 PolarHBondContact O-N 3.45Å; S116-E118 PolarHBondContact OG-N 3.37Å; S116-E118 PolarHBondContact OG-OE2 3.4Å; E118-L120 VanDerWaalsContact C-N 3.35Å; E118-L121 WeakPolarHBondContact O-CB 3.48Å; E118-L121 PolarHBondContact O-N 3.37Å; E118-Q122 PolarHBondContact O-N 3.16Å
119	Q	98.5	Very high	98.5	Very high	94 Å²	94	34.1 Å²	34.1	44%	0.439	19%	0.189	S	C	.	.	H	α-helix	trans	-68.7	-36.7	173.6	-66.3	177.1	-67.8	0	0	111.3	I115 S116 Y117 Q122 V123	I115-Q119 HydrophobicContact CD1-CB 4.39Å; I115-Q119 HydrophobicContact CG1-CB 3.81Å; S116-Q119 PolarHBondContact O-N 2.95Å; S116-Q119 PolarHBondContact OG-N 3.49Å; Y117-Q119 VanDerWaalsContact C-N 3.34Å; Y117-Q119 PolarHBondContact O-N 3.36Å; Q119-Q122 WeakPolarHBondContact O-CB 3.32Å; Q119-Q122 PolarHBondContact O-N 3.26Å; Q119-V123 WeakPolarHBondContact O-CG2 3.47Å; Q119-V123 PolarHBondContact O-N 3Å; Q119-V123 VanDerWaalsContact O-N 3.07Å
120	L	98.8	Very high	98.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.3	-39.7	172	-66.6	178.7	0	0	0	111.8	A55 F57 F69 L72 V75 I108 Y110 I115 S116 Y117 E118 V123 F124	A55-L120 HydrophobicContact CB-CD1 3.92Å; F57-L120 HydrophobicContact CE2-CB 3.88Å; F57-L120 HydrophobicContact CZ-CB 4.11Å; F69-L120 HydrophobicContact CD1-CD2 3.86Å; F69-L120 HydrophobicContact CE1-CD2 3.98Å; L72-L120 HydrophobicContact CD1-CD2 3.94Å; V75-L120 HydrophobicContact CG2-CD2 4.22Å; I108-L120 HydrophobicContact CG2-CD1 4.46Å; I108-L120 HydrophobicContact CG2-CD2 4.43Å; Y110-L120 HydrophobicContact CD1-CD1 3.4Å; Y110-L120 HydrophobicContact CD2-CD1 4.09Å; Y110-L120 HydrophobicContact CE1-CD1 3.59Å; Y110-L120 HydrophobicContact CE2-CD1 4.29Å; Y110-L120 HydrophobicContact CG-CD1 3.66Å; I115-L120 HydrophobicContact CD1-CD2 3.7Å; I115-L120 HydrophobicContact CD1-CG 4.27Å; I115-L120 HydrophobicContact CG1-CD2 4.32Å; I115-L120 HydrophobicContact CG1-CG 4.37Å; S116-L120 PolarHBondContact O-N 2.99Å; S116-L120 VanDerWaalsContact O-N 3.11Å; Y117-L120 CarbonylContact O-C 3.51Å; Y117-L120 WeakPolarHBondContact O-CB 3.42Å; Y117-L120 PolarHBondContact O-N 2.85Å; E118-L120 VanDerWaalsContact C-N 3.35Å; L120-V123 PolarHBondContact O-N 2.79Å; L120-F124 PolarHBondContact O-N 2.63Å
121	L	98.8	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-39.9	172.5	-73.2	168.4	0	0	0	111.8	F57 Y117 E118 V123 F124 W125 I148 A158 A159	F57-L121 HydrophobicContact CE1-CD2 4.07Å; F57-L121 HydrophobicContact CZ-CD2 4.18Å; Y117-L121 HydrophobicContact CD1-CD1 3.62Å; Y117-L121 HydrophobicContact CD1-CG 4.05Å; Y117-L121 HydrophobicContact CE1-CD1 3.52Å; Y117-L121 HydrophobicContact CE1-CD2 4.08Å; Y117-L121 HydrophobicContact CE1-CG 3.81Å; Y117-L121 WeakPolarHBondContact O-CG 3.33Å; Y117-L121 PolarHBondContact O-N 2.93Å; E118-L121 WeakPolarHBondContact O-CB 3.48Å; E118-L121 PolarHBondContact O-N 3.37Å; L121-V123 VanDerWaalsContact C-N 3.35Å; L121-V123 PolarHBondContact O-N 3.23Å; L121-F124 WeakPolarHBondContact O-CB 3.21Å; L121-F124 PolarHBondContact O-N 2.93Å; L121-W125 PolarHBondContact O-N 2.87Å; L121-I148 HydrophobicContact CD2-CD1 3.76Å; L121-A158 HydrophobicContact CD1-CB 3.93Å; L121-A159 HydrophobicContact CD2-CB 4.33Å
122	Q	98.5	Very high	98.4	Very high	80 Å²	80	34.5 Å²	34.5	37%	0.374	19%	0.192	S	C	.	.	H	α-helix	trans	-57.9	-49.4	173.6	-179.9	176.7	2.6	0	0	110.9	E118 Q119 F124 W125 E126 L217	E118-Q122 PolarHBondContact O-N 3.16Å; Q119-Q122 WeakPolarHBondContact O-CB 3.32Å; Q119-Q122 PolarHBondContact O-N 3.26Å; Q122-F124 VanDerWaalsContact C-N 3.28Å; Q122-F124 PolarHBondContact O-N 2.81Å; Q122-W125 PolarHBondContact O-N 2.95Å; Q122-E126 HydrophobicContact CG-CG 4.25Å; Q122-E126 VanDerWaalsContact CG-OE1 3.32Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.41Å; Q122-E126 PolarHBondContact NE2-OE1 2.95Å; Q122-E126 WeakPolarHBondContact O-CB 3.44Å; Q122-E126 VanDerWaalsContact O-CG 3.29Å; Q122-E126 WeakPolarHBondContact O-CG 3.45Å; Q122-E126 PolarHBondContact O-N 3.21Å; Q122-L217 HydrophobicContact CB-CD2 4.03Å; Q122-L217 HydrophobicContact CG-CB 4.23Å
123	V	98.5	Very high	98.2	Very high	24 Å²	24	33.1 Å²	33.1	15%	0.145	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-40.8	176.5	173.6	0	0	0	0	111.1	L68 F69 L72 Q119 L120 L121 N127	L68-V123 HydrophobicContact CD1-CG1 4.15Å; L68-V123 HydrophobicContact CD2-CG1 3.38Å; L68-V123 HydrophobicContact CG-CG1 3.52Å; F69-V123 HydrophobicContact CD1-CG1 4.17Å; F69-V123 HydrophobicContact CE1-CB 3.92Å; F69-V123 HydrophobicContact CE1-CG1 3.61Å; F69-V123 HydrophobicContact CZ-CB 4.35Å; F69-V123 HydrophobicContact CZ-CG1 3.85Å; L72-V123 HydrophobicContact CD1-CB 4.44Å; L72-V123 HydrophobicContact CD1-CG1 4.3Å; L72-V123 HydrophobicContact CD1-CG2 3.91Å; L72-V123 HydrophobicContact CD2-CG2 4.25Å; Q119-V123 WeakPolarHBondContact O-CG2 3.47Å; Q119-V123 PolarHBondContact O-N 3Å; Q119-V123 VanDerWaalsContact O-N 3.07Å; L120-V123 PolarHBondContact O-N 2.79Å; L121-V123 VanDerWaalsContact C-N 3.35Å; L121-V123 PolarHBondContact O-N 3.23Å; V123-N127 WeakPolarHBondContact O-CB 3.32Å; V123-N127 PolarHBondContact O-N 2.83Å; V123-N127 PolarHBondContact O-ND2 3.44Å
124	F	98.8	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.6	-57	173.9	170.5	-91	0	0	0	111.9	F57 M59 L120 L121 Q122 E126 H128 S146 I148 T181	F57-F124 HydrophobicContact CB-CD2 3.76Å; F57-F124 HydrophobicContact CB-CE2 4.14Å; F57-F124 HydrophobicContact CD1-CD2 4.11Å; F57-F124 HydrophobicContact CD2-CB 4.28Å; F57-F124 HydrophobicContact CD2-CD2 4.28Å; F57-F124 HydrophobicContact CE2-CB 4.31Å; F57-F124 AromaticContact CG-CD2 3.82Å; F57-F124 HydrophobicContact CG-CD2 3.82Å; F57-F124 HydrophobicContact CG-CE2 4.48Å; M59-F124 HydrophobicContact CE-CD2 4.41Å; M59-F124 VanDerWaalsContact CE-O 3.28Å; M59-F124 WeakPolarHBondContact CE-O 3.22Å; M59-F124 HydrophobicContact CG-CD2 3.36Å; M59-F124 HydrophobicContact CG-CE2 3.45Å; M59-F124 VanDerWaalsContact CG-CE2 3.45Å; M59-F124 HydrophobicContact CG-CG 4.44Å; M59-F124 HydrophobicContact SD-CB 4.32Å; M59-F124 HydrophobicContact SD-CD2 3.55Å; M59-F124 VanDerWaalsContact SD-CD2 3.55Å; M59-F124 HydrophobicContact SD-CE2 4.28Å; M59-F124 HydrophobicContact SD-CG 4.3Å; L120-F124 PolarHBondContact O-N 2.63Å; L121-F124 WeakPolarHBondContact O-CB 3.21Å; L121-F124 PolarHBondContact O-N 2.93Å; Q122-F124 VanDerWaalsContact C-N 3.28Å; Q122-F124 PolarHBondContact O-N 2.81Å; F124-E126 PolarHBondContact O-N 3.13Å; F124-H128 AromaticContact CD1-CE1 3.89Å; F124-H128 AromaticContact CE1-CE1 3.47Å; F124-H128 VanDerWaalsContact CE1-CE1 3.47Å; F124-H128 WeakPolarHBondContact CE1-CE1 3.43Å; F124-H128 AromaticContact CE2-CE1 3.72Å; F124-H128 AromaticContact CZ-CE1 3.38Å; F124-H128 WeakPolarHBondContact CZ-CE1 3.28Å; F124-H128 AromaticContact CZ-NE2 3.7Å; F124-H128 PolarHBondContact O-CE1 3.02Å; F124-H128 PolarHBondContact O-ND1 2.89Å; F124-S146 WeakPolarHBondContact CZ-OG 3.48Å; F124-I148 HydrophobicContact CD1-CD1 3.96Å; F124-I148 HydrophobicContact CD1-CG1 4.2Å; F124-I148 HydrophobicContact CD2-CG1 4.33Å; F124-I148 HydrophobicContact CE1-CD1 3.59Å; F124-I148 HydrophobicContact CE1-CG1 3.72Å; F124-I148 HydrophobicContact CE2-CG1 3.86Å; F124-I148 HydrophobicContact CG-CG1 4.49Å; F124-I148 HydrophobicContact CZ-CD1 3.95Å; F124-I148 HydrophobicContact CZ-CG1 3.54Å; F124-T181 HydrophobicContact CE1-CG2 4Å; F124-T181 HydrophobicContact CZ-CG2 3.66Å
125	W	98.7	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-37.5	-173.6	-69.9	116.9	0	0	0	113.1	L121 Q122 N127 P130 I148 S162 L163 F166 I179 T181 L217	L121-W125 PolarHBondContact O-N 2.87Å; Q122-W125 PolarHBondContact O-N 2.95Å; W125-N127 VanDerWaalsContact C-N 3.35Å; W125-N127 PolarHBondContact O-N 3.35Å; W125-P130 HydrophobicContact CE3-CB 4.06Å; W125-P130 HydrophobicContact CE3-CG 4.14Å; W125-P130 HydrophobicContact CZ3-CB 3.7Å; W125-P130 HydrophobicContact CZ3-CG 4.12Å; W125-I148 HydrophobicContact CH2-CD1 4.4Å; W125-I148 HydrophobicContact CZ2-CD1 3.79Å; W125-S162 VanDerWaalsContact NE1-CB 3.35Å; W125-S162 PolarHBondContact NE1-OG 3.23Å; W125-L163 HydrophobicContact CH2-CB 3.87Å; W125-L163 HydrophobicContact CH2-CD1 4.16Å; W125-L163 HydrophobicContact CH2-CG 3.92Å; W125-L163 VanDerWaalsContact CZ2-CA 3.49Å; W125-L163 HydrophobicContact CZ2-CB 3.67Å; W125-L163 HydrophobicContact CZ2-CG 4.26Å; W125-F166 HydrophobicContact CB-CB 4.49Å; W125-F166 HydrophobicContact CB-CD1 4.25Å; W125-F166 HydrophobicContact CB-CD2 3.51Å; W125-F166 HydrophobicContact CB-CE1 4.37Å; W125-F166 HydrophobicContact CB-CE2 3.63Å; W125-F166 HydrophobicContact CB-CG 3.82Å; W125-F166 HydrophobicContact CB-CZ 4.06Å; W125-F166 HydrophobicContact CD2-CB 3.93Å; W125-F166 HydrophobicContact CD2-CD1 4.11Å; W125-F166 AromaticContact CD2-CG 3.92Å; W125-F166 HydrophobicContact CD2-CG 3.92Å; W125-F166 HydrophobicContact CE3-CB 4.09Å; W125-F166 AromaticContact CE3-CD1 3.58Å; W125-F166 HydrophobicContact CE3-CD1 3.58Å; W125-F166 HydrophobicContact CE3-CE1 4.18Å; W125-F166 AromaticContact CE3-CG 3.88Å; W125-F166 HydrophobicContact CE3-CG 3.88Å; W125-F166 HydrophobicContact CG-CB 4.1Å; W125-F166 HydrophobicContact CG-CD1 4.42Å; W125-F166 HydrophobicContact CG-CD2 4.03Å; W125-F166 AromaticContact CG-CG 3.92Å; W125-F166 HydrophobicContact CG-CG 3.92Å; W125-F166 HydrophobicContact CZ3-CD1 4.32Å; W125-F166 WeakPolarHBondContact O-CZ 3.46Å; W125-I179 HydrophobicContact CE3-CD1 4.44Å; W125-I179 HydrophobicContact CH2-CD1 4.32Å; W125-I179 HydrophobicContact CH2-CG2 3.96Å; W125-I179 HydrophobicContact CZ3-CD1 3.87Å; W125-I179 HydrophobicContact CZ3-CG2 3.82Å; W125-T181 HydrophobicContact CH2-CG2 3.92Å; W125-T181 HydrophobicContact CZ3-CG2 4.42Å; W125-T181 WeakPolarHBondContact CZ3-OG1 3.3Å; W125-L217 HydrophobicContact CG-CD1 4.4Å
126	E	98.4	Very high	98	Very high	49 Å²	49	32.1 Å²	32.1	23%	0.229	16%	0.162	C	C	.	.	H	α-helix	trans	-81.5	-10.1	-172.9	-64.1	-175.3	179.1	0	0	114.3	Q122 F124 G212 C216 L217	Q122-E126 HydrophobicContact CG-CG 4.25Å; Q122-E126 VanDerWaalsContact CG-OE1 3.32Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.41Å; Q122-E126 PolarHBondContact NE2-OE1 2.95Å; Q122-E126 WeakPolarHBondContact O-CB 3.44Å; Q122-E126 VanDerWaalsContact O-CG 3.29Å; Q122-E126 WeakPolarHBondContact O-CG 3.45Å; Q122-E126 PolarHBondContact O-N 3.21Å; F124-E126 PolarHBondContact O-N 3.13Å; E126-G212 WeakPolarHBondContact O-CA 3.21Å; E126-C216 WeakPolarHBondContact OE1-CA 3.41Å; E126-L217 PolarHBondContact OE1-N 2.65Å
127	N	98.2	Very high	97.8	Very high	50 Å²	50	32 Å²	32	27%	0.267	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	11.8	-169.9	-67.9	-87.5	0	0	0	115.1	M59 L68 V123 W125 I210 G211	M59-N127 HydrophobicContact CE-CB 4.13Å; L68-N127 HydrophobicContact CD1-CB 4.44Å; L68-N127 HydrophobicContact CD2-CB 3.4Å; L68-N127 VanDerWaalsContact CD2-CB 3.4Å; V123-N127 WeakPolarHBondContact O-CB 3.32Å; V123-N127 PolarHBondContact O-N 2.83Å; V123-N127 PolarHBondContact O-ND2 3.44Å; W125-N127 VanDerWaalsContact C-N 3.35Å; W125-N127 PolarHBondContact O-N 3.35Å; N127-I210 WeakPolarHBondContact O-CG1 3.15Å; N127-G211 CarbonylContact O-C 3.28Å; N127-G211 PolarHBondContact O-N 2.91Å
128	H	98.3	Very high	97.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-146.9	172.4	167.9	78.3	-63.5	0	0	0	110.7	M59 F124 P130 Q136 S146 G211	M59-H128 HydrophobicContact CB-CB 4.17Å; M59-H128 HydrophobicContact CE-CB 4.05Å; F124-H128 AromaticContact CD1-CE1 3.89Å; F124-H128 AromaticContact CE1-CE1 3.47Å; F124-H128 VanDerWaalsContact CE1-CE1 3.47Å; F124-H128 WeakPolarHBondContact CE1-CE1 3.43Å; F124-H128 AromaticContact CE2-CE1 3.72Å; F124-H128 AromaticContact CZ-CE1 3.38Å; F124-H128 WeakPolarHBondContact CZ-CE1 3.28Å; F124-H128 AromaticContact CZ-NE2 3.7Å; F124-H128 PolarHBondContact O-CE1 3.02Å; F124-H128 PolarHBondContact O-ND1 2.89Å; H128-P130 VanDerWaalsContact O-CD 3.27Å; H128-P130 WeakPolarHBondContact O-CD 3.36Å; H128-Q136 PolarHBondContact CD2-NE2 3.35Å; H128-S146 WeakPolarHBondContact NE2-CB 3.29Å; H128-S146 PolarHBondContact NE2-OG 3.39Å; H128-G211 CarbonylContact C-O 3.4Å; H128-G211 VanDerWaalsContact CA-O 3.3Å; H128-G211 WeakPolarHBondContact CA-O 3.43Å
129	D	98.2	Very high	97.4	Very high	12 Å²	12	35.8 Å²	35.8	6%	0.064	19%	0.189	C	C	.	.			trans	-93.3	106.2	169.6	-174.1	-18.3	0	0	0	109.9	A131 Q132 Q136 R177 I213	D129-A131 VanDerWaalsContact C-N 3.25Å; D129-A131 PolarHBondContact O-N 3.32Å; D129-A131 PolarHBondContact OD1-N 3.13Å; D129-Q132 HydrophobicContact CB-CG 3.64Å; D129-Q132 WeakPolarHBondContact OD2-CG 3.38Å; D129-Q132 PolarHBondContact OD2-NE2 2.81Å; D129-Q136 PolarHBondContact O-NE2 2.81Å; D129-R177 IonicContact OD1-CZ 2.7Å; D129-R177 IonicContact OD1-NH1 3.55Å; D129-R177 PolarHBondContact OD1-NH1 3.2Å; D129-R177 IonicContact OD1-NH2 2.86Å; D129-R177 IonicContact OD2-CZ 3.2Å; D129-R177 IonicContact OD2-NH1 3.39Å; D129-R177 PolarHBondContact OD2-NH1 3.25Å; D129-R177 IonicContact OD2-NH2 3.79Å; D129-R177 PolarHBondContact OD2-NH2 3.19Å; D129-I213 HydrophobicContact CB-CG2 3.53Å; D129-I213 VanDerWaalsContact CG-CG2 3.43Å
130	P	98.3	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-3.6	-176.7	33.4	-37.2	0	0	0	113.7	W125 H128 F166 M170 I179 T180 T181	W125-P130 HydrophobicContact CE3-CB 4.06Å; W125-P130 HydrophobicContact CE3-CG 4.14Å; W125-P130 HydrophobicContact CZ3-CB 3.7Å; W125-P130 HydrophobicContact CZ3-CG 4.12Å; H128-P130 VanDerWaalsContact O-CD 3.27Å; H128-P130 WeakPolarHBondContact O-CD 3.36Å; P130-F166 HydrophobicContact CG-CD1 4.12Å; P130-F166 HydrophobicContact CG-CE1 3.78Å; P130-M170 HydrophobicContact CG-SD 4.21Å; P130-I179 HydrophobicContact CB-CG1 4.48Å; P130-I179 HydrophobicContact CB-CG2 4.2Å; P130-I179 HydrophobicContact CG-CG1 4.18Å; P130-T180 WeakPolarHBondContact O-CA 3.24Å; P130-T180 PolarHBondContact O-N 2.87Å; P130-T180 PolarHBondContact O-OG1 3.44Å; P130-T181 VanDerWaalsContact CB-OG1 3.31Å; P130-T181 WeakPolarHBondContact CB-OG1 3.2Å; P130-T181 PolarHBondContact O-N 3.47Å
131	A	98	Very high	97.1	Very high	16 Å²	16	37 Å²	37	13%	0.132	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	13.4	-173.5	0	0	0	0	0	113.7	D129 M170 R177 H178	D129-A131 VanDerWaalsContact C-N 3.25Å; D129-A131 PolarHBondContact O-N 3.32Å; D129-A131 PolarHBondContact OD1-N 3.13Å; A131-M170 HydrophobicContact CB-CE 4.03Å; A131-R177 HydrophobicContact CB-CB 3.82Å; A131-H178 VanDerWaalsContact CB-O 3.29Å; A131-H178 WeakPolarHBondContact CB-O 3.44Å
132	Q	96.5	Very high	97.1	Very high	39 Å²	39	37 Å²	37	18%	0.182	20%	0.195	C	C	.	.	S	Bend	trans	-90.6	-11.5	-175.9	-56.1	-161.4	-20.4	0	0	115.1	D129 R135	D129-Q132 HydrophobicContact CB-CG 3.64Å; D129-Q132 WeakPolarHBondContact OD2-CG 3.38Å; D129-Q132 PolarHBondContact OD2-NE2 2.81Å; Q132-R135 HydrophobicContact CB-CG 3.55Å; Q132-R135 WeakPolarHBondContact CB-O 3.43Å; Q132-R135 WeakPolarHBondContact O-CG 3.22Å; Q132-R135 PolarHBondContact O-NE 2.77Å
133	G	96	Very high	97	Very high	20 Å²	20	33.3 Å²	33.3	21%	0.206	18%	0.178	C	C	.	.	S	Bend	trans	74.1	-129.8	-175.3	0	0	0	0	0	112.5	R135 R145 T180	G133-R135 PolarHBondContact O-N 2.97Å; G133-R145 WeakPolarHBondContact O-CA 3.3Å; G133-T180 WeakPolarHBondContact CA-OG1 3.44Å; G133-T180 PolarHBondContact N-OG1 2.83Å
134	M	97.2	Very high	97	Very high	59 Å²	59	33.2 Å²	33.2	29%	0.291	18%	0.175	S	C	.	.	S	Bend	trans	-81.3	50.4	-177.5	-55.7	-52.6	169.4	0	0	112.5	K16 L18 G141 T142 R145	K16-M134 VanDerWaalsContact O-CG 3.27Å; K16-M134 WeakPolarHBondContact O-CG 3.37Å; L18-M134 HydrophobicContact CG-CE 4.48Å; M134-G141 CarbonylContact C-O 3.58Å; M134-G141 VanDerWaalsContact C-O 3.27Å; M134-G141 CarbonylContact O-C 3.56Å; M134-G141 VanDerWaalsContact O-C 3.28Å; M134-G141 WeakPolarHBondContact O-CA 2.87Å; M134-G141 PolarHBondContact O-N 2.82Å; M134-T142 HydrophobicContact CB-CG2 4.32Å; M134-T142 HydrophobicContact CG-CG2 4.01Å; M134-T142 HydrophobicContact SD-CG2 4.06Å; M134-R145 HydrophobicContact SD-CB 3.63Å; M134-R145 HydrophobicContact SD-CG 4.31Å
135	R	95.9	Very high	96.9	Very high	104 Å²	104	33.4 Å²	33.4	39%	0.392	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	161.6	176.8	68.4	-174.4	175.1	143.6	3.7	111	Q132 G133 D139 Y144	Q132-R135 HydrophobicContact CB-CG 3.55Å; Q132-R135 WeakPolarHBondContact CB-O 3.43Å; Q132-R135 WeakPolarHBondContact O-CG 3.22Å; Q132-R135 PolarHBondContact O-NE 2.77Å; G133-R135 PolarHBondContact O-N 2.97Å; R135-D139 CarbonylContact C-O 3.53Å; R135-D139 WeakPolarHBondContact CA-O 3.21Å; R135-D139 VanDerWaalsContact CB-O 3.3Å; R135-D139 WeakPolarHBondContact CB-O 3.4Å; R135-Y144 CarbonylContact C-O 3.44Å
136	Q	97.1	Very high	96.9	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.037	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	117.8	162.8	-176.2	58.3	-109.1	0	0	109.7	H128 D129 N138 D139	H128-Q136 PolarHBondContact CD2-NE2 3.35Å; D129-Q136 PolarHBondContact O-NE2 2.81Å; Q136-N138 PolarHBondContact O-N 2.84Å; Q136-N138 VanDerWaalsContact O-N 3.15Å; Q136-D139 PolarHBondContact N-O 3.45Å; Q136-D139 WeakPolarHBondContact O-CB 3.31Å; Q136-D139 PolarHBondContact O-N 3.29Å
137	G	94	Very high	97	Very high	33 Å²	33	31.3 Å²	31.3	34%	0.34	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	-119.6	-176.7	0	0	0	0	0	111.8	D139	G137-D139 VanDerWaalsContact C-N 3.35Å
138	N	93.5	Very high	97	Very high	135 Å²	135	28.9 Å²	28.9	72%	0.722	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-9.4	178	-66.4	-33.8	0	0	0	113.5	Q136 H140	Q136-N138 PolarHBondContact O-N 2.84Å; Q136-N138 VanDerWaalsContact O-N 3.15Å; N138-H140 PolarHBondContact O-CD2 2.97Å; N138-H140 VanDerWaalsContact O-CD2 3.24Å
139	D	95.3	Very high	97	Very high	28 Å²	28	29 Å²	29	15%	0.15	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	111.4	-174.7	-61.3	-49.7	0	0	0	109.7	R135 Q136 G137 Y144 Y207	R135-D139 CarbonylContact C-O 3.53Å; R135-D139 WeakPolarHBondContact CA-O 3.21Å; R135-D139 VanDerWaalsContact CB-O 3.3Å; R135-D139 WeakPolarHBondContact CB-O 3.4Å; Q136-D139 PolarHBondContact N-O 3.45Å; Q136-D139 WeakPolarHBondContact O-CB 3.31Å; Q136-D139 PolarHBondContact O-N 3.29Å; G137-D139 VanDerWaalsContact C-N 3.35Å; D139-Y144 VanDerWaalsContact C-CD2 3.45Å; D139-Y144 HydrophobicContact CB-CD1 3.95Å; D139-Y144 HydrophobicContact CB-CD2 3.6Å; D139-Y144 HydrophobicContact CB-CE1 4.15Å; D139-Y144 HydrophobicContact CB-CE2 3.8Å; D139-Y144 HydrophobicContact CB-CG 3.68Å; D139-Y207 PolarHBondContact OD1-OH 2.8Å; D139-Y207 WeakPolarHBondContact OD2-CE1 3.45Å; D139-Y207 PolarHBondContact OD2-OH 2.77Å
140	H	95.4	Very high	97	Very high	119 Å²	119	28.5 Å²	28.5	55%	0.551	15%	0.152	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.7	-174.5	-70.9	-87	0	0	0	112.6	N138	N138-H140 PolarHBondContact O-CD2 2.97Å; N138-H140 VanDerWaalsContact O-CD2 3.24Å
141	G	96.5	Very high	97	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.01	17%	0.171	C	C	.	.	S	Bend	trans	142.2	161.7	173.5	0	0	0	0	0	112.9	M134 Q143 Y144	M134-G141 CarbonylContact C-O 3.58Å; M134-G141 VanDerWaalsContact C-O 3.27Å; M134-G141 CarbonylContact O-C 3.56Å; M134-G141 VanDerWaalsContact O-C 3.28Å; M134-G141 WeakPolarHBondContact O-CA 2.87Å; M134-G141 PolarHBondContact O-N 2.82Å; G141-Q143 VanDerWaalsContact C-OE1 3.24Å; G141-Q143 PolarHBondContact O-N 2.93Å; G141-Q143 VanDerWaalsContact O-N 3.13Å; G141-Y144 PolarHBondContact O-N 2.85Å
142	T	97.2	Very high	97	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-56.6	-28.6	-179.3	54.8	0	0	0	0	113.2	K15 H17 L18 M134 Y144 R145	K15-T142 WeakPolarHBondContact O-CG2 3.25Å; K15-T142 PolarHBondContact O-N 2.91Å; H17-T142 VanDerWaalsContact C-CG2 3.49Å; H17-T142 VanDerWaalsContact O-CG2 3.25Å; H17-T142 WeakPolarHBondContact O-CG2 3.44Å; L18-T142 HydrophobicContact CD2-CG2 4.06Å; L18-T142 HydrophobicContact CG-CG2 4.35Å; M134-T142 HydrophobicContact CB-CG2 4.32Å; M134-T142 HydrophobicContact CG-CG2 4.01Å; M134-T142 HydrophobicContact SD-CG2 4.06Å; T142-Y144 PolarHBondContact O-N 3.17Å; T142-R145 WeakPolarHBondContact O-CB 3.29Å; T142-R145 WeakPolarHBondContact O-CD 3.39Å; T142-R145 WeakPolarHBondContact O-CG 3.32Å; T142-R145 PolarHBondContact O-N 3.49Å; T142-R145 PolarHBondContact O-NH1 2.75Å
143	Q	97.9	Very high	97.1	Very high	2 Å²	2	37 Å²	37	1%	0.009	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-67.7	-20.7	177.4	74.7	-78.9	18.2	0	0	113.6	V95 H102 A103 E104 G141	V95-Q143 HydrophobicContact CG1-CB 3.62Å; V95-Q143 HydrophobicContact CG1-CG 4.18Å; H102-Q143 WeakPolarHBondContact O-CA 3.42Å; A103-Q143 WeakPolarHBondContact CA-O 3.38Å; E104-Q143 HydrophobicContact CG-CB 4.5Å; E104-Q143 PolarHBondContact N-O 2.97Å; G141-Q143 VanDerWaalsContact C-OE1 3.24Å; G141-Q143 PolarHBondContact O-N 2.93Å; G141-Q143 VanDerWaalsContact O-N 3.13Å
144	Y	97.6	Very high	97.2	Very high	21 Å²	21	42.5 Å²	42.5	8%	0.082	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-99.5	11.4	179.8	-56.8	-57.8	0	0	0	113.6	G60 C61 E104 R135 D139 G141 T142	G60-Y144 WeakPolarHBondContact CA-O 3.46Å; C61-Y144 HydrophobicContact CB-CE1 4.45Å; E104-Y144 VanDerWaalsContact CD-CE1 3.5Å; E104-Y144 WeakPolarHBondContact OE1-CE1 3.43Å; R135-Y144 CarbonylContact C-O 3.44Å; D139-Y144 VanDerWaalsContact C-CD2 3.45Å; D139-Y144 HydrophobicContact CB-CD1 3.95Å; D139-Y144 HydrophobicContact CB-CD2 3.6Å; D139-Y144 HydrophobicContact CB-CE1 4.15Å; D139-Y144 HydrophobicContact CB-CE2 3.8Å; D139-Y144 HydrophobicContact CB-CG 3.68Å; G141-Y144 PolarHBondContact O-N 2.85Å; T142-Y144 PolarHBondContact O-N 3.17Å
145	R	97.7	Very high	97.3	Very high	5 Å²	5	40 Å²	40	2%	0.019	21%	0.211	C	C	.	.			trans	-64.7	155.7	178.7	73.7	-171.3	179.6	-87.9	8.3	112.1	G84 G101 H102 A103 G133 M134 T142 Y149 E182	G84-R145 PolarHBondContact O-NH2 3.28Å; G101-R145 PolarHBondContact O-NH1 3.06Å; G101-R145 PolarHBondContact O-NH2 3.21Å; H102-R145 PolarHBondContact O-NH1 2.75Å; A103-R145 HydrophobicContact CB-CG 4.29Å; G133-R145 WeakPolarHBondContact O-CA 3.3Å; M134-R145 HydrophobicContact SD-CB 3.63Å; M134-R145 HydrophobicContact SD-CG 4.31Å; T142-R145 WeakPolarHBondContact O-CB 3.29Å; T142-R145 WeakPolarHBondContact O-CD 3.39Å; T142-R145 WeakPolarHBondContact O-CG 3.32Å; T142-R145 PolarHBondContact O-N 3.49Å; T142-R145 PolarHBondContact O-NH1 2.75Å; R145-Y149 PolarHBondContact NH2-OH 3.33Å; R145-Y149 VanDerWaalsContact NH2-OH 3.16Å; R145-E182 IonicContact CZ-OE2 3.95Å; R145-E182 IonicContact NE-OE2 3.59Å; R145-E182 PolarHBondContact NE-OE2 3.44Å; R145-E182 IonicContact NH2-OE2 3.5Å
146	S	98.6	Very high	97.4	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.028	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	126.8	167.8	179.9	0	0	0	0	110.1	A58 F124 H128 T181 E182	A58-S146 WeakPolarHBondContact O-CA 3.49Å; F124-S146 WeakPolarHBondContact CZ-OG 3.48Å; H128-S146 WeakPolarHBondContact NE2-CB 3.29Å; H128-S146 PolarHBondContact NE2-OG 3.39Å; S146-T181 WeakPolarHBondContact O-CA 3.39Å; S146-T181 WeakPolarHBondContact OG-CB 3.46Å; S146-T181 WeakPolarHBondContact OG-CG2 3.5Å; S146-T181 PolarHBondContact OG-OG1 2.94Å; S146-E182 PolarHBondContact O-N 3.27Å
147	A	98.8	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	147.8	174.2	0	0	0	0	0	112.7	A58 Y149 E182	A58-A147 HydrophobicContact CB-CB 3.95Å; A58-A147 PolarHBondContact N-O 2.69Å; A58-A147 PolarHBondContact O-N 3.39Å; A147-Y149 HydrophobicContact CB-CD2 4.44Å; A147-Y149 HydrophobicContact CB-CE1 4.19Å; A147-Y149 HydrophobicContact CB-CE2 3.7Å; A147-E182 CarbonylContact C-O 3.52Å; A147-E182 VanDerWaalsContact CA-O 3.25Å; A147-E182 WeakPolarHBondContact CA-O 3.32Å; A147-E182 HydrophobicContact CB-CB 3.86Å
148	I	98.9	Very high	97.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.2	167.3	-60.8	165.3	0	0	0	106.9	F57 Y117 L121 F124 W125 P150 A159 T181 E182 I183 A184	F57-I148 HydrophobicContact CD1-CB 4.29Å; F57-I148 HydrophobicContact CD1-CG1 4.01Å; F57-I148 HydrophobicContact CD1-CG2 3.95Å; F57-I148 HydrophobicContact CE1-CG1 4.28Å; F57-I148 HydrophobicContact CE1-CG2 3.8Å; Y117-I148 WeakPolarHBondContact OH-CG2 3.45Å; L121-I148 HydrophobicContact CD2-CD1 3.76Å; F124-I148 HydrophobicContact CD1-CD1 3.96Å; F124-I148 HydrophobicContact CD1-CG1 4.2Å; F124-I148 HydrophobicContact CD2-CG1 4.33Å; F124-I148 HydrophobicContact CE1-CD1 3.59Å; F124-I148 HydrophobicContact CE1-CG1 3.72Å; F124-I148 HydrophobicContact CE2-CG1 3.86Å; F124-I148 HydrophobicContact CG-CG1 4.49Å; F124-I148 HydrophobicContact CZ-CD1 3.95Å; F124-I148 HydrophobicContact CZ-CG1 3.54Å; W125-I148 HydrophobicContact CH2-CD1 4.4Å; W125-I148 HydrophobicContact CZ2-CD1 3.79Å; I148-P150 HydrophobicContact CG2-CG 4.2Å; I148-P150 WeakPolarHBondContact O-CD 3.07Å; I148-A159 HydrophobicContact CD1-CB 4.14Å; I148-A159 HydrophobicContact CG2-CB 3.86Å; I148-T181 HydrophobicContact CD1-CG2 4.17Å; I148-T181 HydrophobicContact CG1-CG2 4.09Å; I148-E182 PolarHBondContact N-O 3.1Å; I148-I183 HydrophobicContact CB-CG1 4.39Å; I148-I183 HydrophobicContact CD1-CG1 4.48Å; I148-I183 WeakPolarHBondContact O-CA 3.43Å; I148-A184 PolarHBondContact O-N 2.73Å
149	Y	98.8	Very high	97.9	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	18%	0.175	C	C	.	.			trans	-116.1	86.8	177.7	-60	-70.1	0	0	0	110.5	I56 A58 T83 A103 R145 A147 A184	I56-Y149 HydrophobicContact CG2-CD2 3.87Å; I56-Y149 HydrophobicContact CG2-CG 4.46Å; I56-Y149 PolarHBondContact O-N 2.81Å; A58-Y149 HydrophobicContact CB-CE2 4.26Å; T83-Y149 HydrophobicContact CG2-CD2 3.45Å; T83-Y149 VanDerWaalsContact CG2-CD2 3.45Å; T83-Y149 HydrophobicContact CG2-CE2 3.45Å; T83-Y149 VanDerWaalsContact CG2-CE2 3.45Å; T83-Y149 HydrophobicContact CG2-CG 4.11Å; A103-Y149 HydrophobicContact CB-CE2 4.44Å; R145-Y149 PolarHBondContact NH2-OH 3.33Å; R145-Y149 VanDerWaalsContact NH2-OH 3.16Å; A147-Y149 HydrophobicContact CB-CD2 4.44Å; A147-Y149 HydrophobicContact CB-CE1 4.19Å; A147-Y149 HydrophobicContact CB-CE2 3.7Å; Y149-A184 WeakPolarHBondContact CA-O 3.26Å
150	P	98.6	Very high	98.1	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.019	19%	0.188	C	C	.	.			trans	-62.3	140.6	179.6	-21.2	33.9	0	0	0	112	I148 Q155 D156 A159 I183 A184 A186	I148-P150 HydrophobicContact CG2-CG 4.2Å; I148-P150 WeakPolarHBondContact O-CD 3.07Å; P150-Q155 HydrophobicContact CB-CB 3.84Å; P150-D156 HydrophobicContact CB-CB 3.87Å; P150-D156 HydrophobicContact CG-CB 3.97Å; P150-A159 HydrophobicContact CG-CB 4.38Å; P150-I183 HydrophobicContact CG-CG2 3.93Å; P150-A184 WeakPolarHBondContact CD-O 3.4Å; P150-A186 WeakPolarHBondContact O-CB 3.41Å; P150-A186 PolarHBondContact O-N 3.26Å
151	L	98.2	Very high	98.2	Very high	80 Å²	80	31.8 Å²	31.8	42%	0.419	18%	0.177	S	C	.	.	S	Bend	trans	-98.2	-16.4	173.2	-71.4	98.8	0	0	0	113.1	I54 I56 A186	I54-L151 HydrophobicContact CB-CD1 4.25Å; I54-L151 HydrophobicContact CB-CD2 4.24Å; I54-L151 HydrophobicContact CG2-CD1 4.04Å; I54-L151 HydrophobicContact CG2-CD2 4.33Å; I54-L151 WeakPolarHBondContact O-CD1 3.49Å; I56-L151 HydrophobicContact CD1-CD1 3.96Å; I56-L151 HydrophobicContact CG1-CD1 3.96Å; L151-A186 HydrophobicContact CG-CB 3.99Å
152	T	98	Very high	98.3	Very high	54 Å²	54	31.7 Å²	31.7	33%	0.331	18%	0.177	S	C	.	.	S	Bend	trans	-134.4	159	179.3	83.6	0	0	0	0	111.6	E154 Q155 D156	T152-E154 WeakPolarHBondContact CB-OE2 3.48Å; T152-E154 PolarHBondContact O-N 3.13Å; T152-E154 PolarHBondContact OG1-N 2.83Å; T152-E154 PolarHBondContact OG1-OE2 3.46Å; T152-Q155 PolarHBondContact O-N 3.1Å; T152-Q155 PolarHBondContact OG1-N 2.76Å; T152-Q155 VanDerWaalsContact OG1-N 3.16Å; T152-D156 PolarHBondContact O-N 2.88Å
153	P	98.1	Very high	98.4	Very high	100 Å²	100	33.5 Å²	33.5	65%	0.649	19%	0.186	S	C	*	.	H	α-helix	trans	-57	-34.4	172.6	-25.4	36	0	0	0	113.6	D156 A157	P153-D156 PolarHBondContact O-N 3.12Å; P153-A157 WeakPolarHBondContact O-CB 3.21Å; P153-A157 PolarHBondContact O-N 3.45Å
154	E	98.2	Very high	98.4	Very high	135 Å²	135	40 Å²	40	63%	0.631	22%	0.217	S	C	*	.	H	α-helix	trans	-66.6	-44	177.4	-59.4	71.6	-153.7	0	0	110.9	T152 D156 A157 A158	T152-E154 WeakPolarHBondContact CB-OE2 3.48Å; T152-E154 PolarHBondContact O-N 3.13Å; T152-E154 PolarHBondContact OG1-N 2.83Å; T152-E154 PolarHBondContact OG1-OE2 3.46Å; E154-D156 VanDerWaalsContact C-N 3.34Å; E154-D156 PolarHBondContact O-N 3.11Å; E154-A157 PolarHBondContact O-N 2.89Å; E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 2.81Å
155	Q	98.6	Very high	98.5	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.028	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-39.5	173.3	-71	-172.7	-6.8	0	0	111.9	I54 Y110 Y117 P150 T152 A158 A159	I54-Q155 PolarHBondContact O-NE2 3.43Å; Y110-Q155 PolarHBondContact OH-NE2 2.98Å; Y117-Q155 HydrophobicContact CD1-CB 4.21Å; Y117-Q155 HydrophobicContact CD1-CG 3.97Å; Y117-Q155 HydrophobicContact CD2-CG 3.88Å; Y117-Q155 HydrophobicContact CE1-CB 3.67Å; Y117-Q155 HydrophobicContact CE1-CG 3.85Å; Y117-Q155 WeakPolarHBondContact CE1-O 3.34Å; Y117-Q155 HydrophobicContact CE2-CB 4.2Å; Y117-Q155 HydrophobicContact CE2-CG 3.76Å; Y117-Q155 HydrophobicContact CG-CG 3.99Å; P150-Q155 HydrophobicContact CB-CB 3.84Å; T152-Q155 PolarHBondContact O-N 3.1Å; T152-Q155 PolarHBondContact OG1-N 2.76Å; T152-Q155 VanDerWaalsContact OG1-N 3.16Å; Q155-A158 PolarHBondContact O-N 2.79Å; Q155-A159 WeakPolarHBondContact O-CB 3.49Å; Q155-A159 PolarHBondContact O-N 3.32Å
156	D	98.6	Very high	98.5	Very high	34 Å²	34	41 Å²	41	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-44.5	177.3	-179	82.9	0	0	0	111.1	P150 T152 P153 E154 A159 R160	P150-D156 HydrophobicContact CB-CB 3.87Å; P150-D156 HydrophobicContact CG-CB 3.97Å; T152-D156 PolarHBondContact O-N 2.88Å; P153-D156 PolarHBondContact O-N 3.12Å; E154-D156 VanDerWaalsContact C-N 3.34Å; E154-D156 PolarHBondContact O-N 3.11Å; D156-A159 PolarHBondContact O-N 2.75Å; D156-R160 WeakPolarHBondContact O-CG 3.18Å; D156-R160 PolarHBondContact O-N 3.32Å; D156-R160 IonicContact OD1-CZ 3.75Å; D156-R160 IonicContact OD1-NE 2.89Å; D156-R160 PolarHBondContact OD1-NE 3.39Å; D156-R160 IonicContact OD1-NH2 3.3Å; D156-R160 PolarHBondContact OD1-NH2 3.39Å; D156-R160 IonicContact OD2-CZ 3.55Å; D156-R160 IonicContact OD2-NE 3.45Å; D156-R160 PolarHBondContact OD2-NE 3.05Å; D156-R160 IonicContact OD2-NH2 2.77Å
157	A	98.3	Very high	98.5	Very high	57 Å²	57	42.7 Å²	42.7	47%	0.471	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-47.2	175.8	0	0	0	0	0	112	P153 E154 R160 A161	P153-A157 WeakPolarHBondContact O-CB 3.21Å; P153-A157 PolarHBondContact O-N 3.45Å; E154-A157 PolarHBondContact O-N 2.89Å; A157-R160 PolarHBondContact O-N 3.32Å; A157-A161 WeakPolarHBondContact O-CB 3.35Å; A157-A161 PolarHBondContact O-N 2.71Å
158	A	98.4	Very high	98.5	Very high	10 Å²	10	45.4 Å²	45.4	8%	0.083	25%	0.25	C	S	.	.	H	α-helix	trans	-63.6	-40.6	177.8	0	0	0	0	0	112.2	Y117 L121 E154 Q155 A161 S162	Y117-A158 HydrophobicContact CD1-CB 3.86Å; Y117-A158 HydrophobicContact CE1-CB 4.13Å; L121-A158 HydrophobicContact CD1-CB 3.93Å; E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 2.81Å; Q155-A158 PolarHBondContact O-N 2.79Å; A158-A161 PolarHBondContact O-N 2.88Å; A158-S162 VanDerWaalsContact O-CB 3.31Å; A158-S162 WeakPolarHBondContact O-CB 3.34Å; A158-S162 PolarHBondContact O-N 3.16Å; A158-S162 PolarHBondContact O-OG 3.24Å
159	A	98.7	Very high	98.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-45.8	176.1	0	0	0	0	0	111.4	L121 I148 P150 Q155 D156 S162 L163 I183	L121-A159 HydrophobicContact CD2-CB 4.33Å; I148-A159 HydrophobicContact CD1-CB 4.14Å; I148-A159 HydrophobicContact CG2-CB 3.86Å; P150-A159 HydrophobicContact CG-CB 4.38Å; Q155-A159 WeakPolarHBondContact O-CB 3.49Å; Q155-A159 PolarHBondContact O-N 3.32Å; D156-A159 PolarHBondContact O-N 2.75Å; A159-S162 PolarHBondContact O-N 3.07Å; A159-S162 PolarHBondContact O-OG 2.84Å; A159-L163 WeakPolarHBondContact O-CB 3.43Å; A159-L163 PolarHBondContact O-N 2.94Å; A159-I183 HydrophobicContact CB-CD1 4.09Å; A159-I183 HydrophobicContact CB-CG2 4.15Å
160	R	98.7	Very high	98.5	Very high	114 Å²	114	46.1 Å²	46.1	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-44.3	177.3	-68.9	176.9	-166.8	-65.2	-16.5	112.4	D156 A157 S162 L163 E164 I183	D156-R160 WeakPolarHBondContact O-CG 3.18Å; D156-R160 PolarHBondContact O-N 3.32Å; D156-R160 IonicContact OD1-CZ 3.75Å; D156-R160 IonicContact OD1-NE 2.89Å; D156-R160 PolarHBondContact OD1-NE 3.39Å; D156-R160 IonicContact OD1-NH2 3.3Å; D156-R160 PolarHBondContact OD1-NH2 3.39Å; D156-R160 IonicContact OD2-CZ 3.55Å; D156-R160 IonicContact OD2-NE 3.45Å; D156-R160 PolarHBondContact OD2-NE 3.05Å; D156-R160 IonicContact OD2-NH2 2.77Å; A157-R160 PolarHBondContact O-N 3.32Å; R160-S162 VanDerWaalsContact C-N 3.34Å; R160-S162 PolarHBondContact O-N 3.14Å; R160-L163 WeakPolarHBondContact O-CB 3.26Å; R160-L163 PolarHBondContact O-N 2.81Å; R160-E164 PolarHBondContact O-N 3.46Å; R160-E164 VanDerWaalsContact O-N 3.09Å; R160-I183 HydrophobicContact CG-CD1 4.17Å; R160-I183 HydrophobicContact CG-CG2 4.46Å
161	A	98.4	Very high	98.4	Very high	39 Å²	39	51.3 Å²	51.3	32%	0.322	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-36.7	177.7	0	0	0	0	0	112.4	A157 A158 R165	A157-A161 WeakPolarHBondContact O-CB 3.35Å; A157-A161 PolarHBondContact O-N 2.71Å; A158-A161 PolarHBondContact O-N 2.88Å; A161-R165 WeakPolarHBondContact O-CG 3.25Å; A161-R165 PolarHBondContact O-N 3.2Å; A161-R165 PolarHBondContact O-NE 3.48Å
162	S	98.6	Very high	98.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-70.9	-35.3	174.8	66.9	0	0	0	0	112.6	W125 A158 A159 R160 R165 F166 L217	W125-S162 VanDerWaalsContact NE1-CB 3.35Å; W125-S162 PolarHBondContact NE1-OG 3.23Å; A158-S162 VanDerWaalsContact O-CB 3.31Å; A158-S162 WeakPolarHBondContact O-CB 3.34Å; A158-S162 PolarHBondContact O-N 3.16Å; A158-S162 PolarHBondContact O-OG 3.24Å; A159-S162 PolarHBondContact O-N 3.07Å; A159-S162 PolarHBondContact O-OG 2.84Å; R160-S162 VanDerWaalsContact C-N 3.34Å; R160-S162 PolarHBondContact O-N 3.14Å; S162-R165 PolarHBondContact O-N 3.32Å; S162-F166 WeakPolarHBondContact O-CB 3.41Å; S162-F166 PolarHBondContact O-N 3.23Å; S162-L217 WeakPolarHBondContact O-CD1 3.34Å
163	L	98.7	Very high	98.4	Very high	38 Å²	38	51.7 Å²	51.7	20%	0.199	30%	0.303	C	S	.	.	H	α-helix	trans	-58.6	-49.5	171.9	-176.7	157.5	0	0	0	111.2	W125 A159 R160 R165 F166 Q167 I179 I183	W125-L163 HydrophobicContact CH2-CB 3.87Å; W125-L163 HydrophobicContact CH2-CD1 4.16Å; W125-L163 HydrophobicContact CH2-CG 3.92Å; W125-L163 VanDerWaalsContact CZ2-CA 3.49Å; W125-L163 HydrophobicContact CZ2-CB 3.67Å; W125-L163 HydrophobicContact CZ2-CG 4.26Å; A159-L163 WeakPolarHBondContact O-CB 3.43Å; A159-L163 PolarHBondContact O-N 2.94Å; R160-L163 WeakPolarHBondContact O-CB 3.26Å; R160-L163 PolarHBondContact O-N 2.81Å; L163-R165 VanDerWaalsContact C-N 3.33Å; L163-R165 PolarHBondContact O-N 2.8Å; L163-F166 PolarHBondContact O-N 2.95Å; L163-Q167 WeakPolarHBondContact O-CB 3.36Å; L163-Q167 PolarHBondContact O-N 2.89Å; L163-I179 HydrophobicContact CD1-CG2 4.02Å; L163-I179 HydrophobicContact CG-CD1 4.33Å; L163-I179 HydrophobicContact CG-CG2 4.07Å; L163-I183 HydrophobicContact CB-CD1 4.13Å; L163-I183 HydrophobicContact CD1-CD1 3.63Å; L163-I183 HydrophobicContact CD1-CG1 4.29Å
164	E	98.4	Very high	98.4	Very high	140 Å²	140	54.4 Å²	54.4	65%	0.654	31%	0.312	S	S	*	.	H	α-helix	trans	-59.7	-44.3	179.2	-70.9	177.5	-174.4	0	0	111.7	R160 Q167 A168	R160-E164 PolarHBondContact O-N 3.46Å; R160-E164 VanDerWaalsContact O-N 3.09Å; E164-Q167 PolarHBondContact O-N 3.04Å; E164-A168 PolarHBondContact O-N 3.32Å
165	R	98.3	Very high	98.4	Very high	46 Å²	46	49.1 Å²	49.1	17%	0.174	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-44.1	175.6	-75.9	-177.3	-70.3	170.5	-18.1	112.4	A161 S162 L163 A168 A169 L217 P218 E220	A161-R165 WeakPolarHBondContact O-CG 3.25Å; A161-R165 PolarHBondContact O-N 3.2Å; A161-R165 PolarHBondContact O-NE 3.48Å; S162-R165 PolarHBondContact O-N 3.32Å; L163-R165 VanDerWaalsContact C-N 3.33Å; L163-R165 PolarHBondContact O-N 2.8Å; R165-A168 PolarHBondContact O-N 3.41Å; R165-A169 WeakPolarHBondContact O-CB 3.48Å; R165-A169 PolarHBondContact O-N 2.74Å; R165-L217 HydrophobicContact CB-CD1 4.02Å; R165-P218 PolarHBondContact NH1-O 3.08Å; R165-E220 VanDerWaalsContact CZ-CG 3.41Å; R165-E220 IonicContact CZ-OE1 3.89Å; R165-E220 VanDerWaalsContact NH1-N 3.18Å; R165-E220 IonicContact NH2-OE1 3.34Å; R165-E220 PolarHBondContact NH2-OE1 3.45Å
166	F	98.6	Very high	98.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-69.4	-38.8	-179.8	-159.7	-104.8	0	0	0	111.7	W125 P130 S162 L163 A168 A169 M170 I179 I213 V215 L217	W125-F166 HydrophobicContact CB-CB 4.49Å; W125-F166 HydrophobicContact CB-CD1 4.25Å; W125-F166 HydrophobicContact CB-CD2 3.51Å; W125-F166 HydrophobicContact CB-CE1 4.37Å; W125-F166 HydrophobicContact CB-CE2 3.63Å; W125-F166 HydrophobicContact CB-CG 3.82Å; W125-F166 HydrophobicContact CB-CZ 4.06Å; W125-F166 HydrophobicContact CD2-CB 3.93Å; W125-F166 HydrophobicContact CD2-CD1 4.11Å; W125-F166 AromaticContact CD2-CG 3.92Å; W125-F166 HydrophobicContact CD2-CG 3.92Å; W125-F166 HydrophobicContact CE3-CB 4.09Å; W125-F166 AromaticContact CE3-CD1 3.58Å; W125-F166 HydrophobicContact CE3-CD1 3.58Å; W125-F166 HydrophobicContact CE3-CE1 4.18Å; W125-F166 AromaticContact CE3-CG 3.88Å; W125-F166 HydrophobicContact CE3-CG 3.88Å; W125-F166 HydrophobicContact CG-CB 4.1Å; W125-F166 HydrophobicContact CG-CD1 4.42Å; W125-F166 HydrophobicContact CG-CD2 4.03Å; W125-F166 AromaticContact CG-CG 3.92Å; W125-F166 HydrophobicContact CG-CG 3.92Å; W125-F166 HydrophobicContact CZ3-CD1 4.32Å; W125-F166 WeakPolarHBondContact O-CZ 3.46Å; P130-F166 HydrophobicContact CG-CD1 4.12Å; P130-F166 HydrophobicContact CG-CE1 3.78Å; S162-F166 WeakPolarHBondContact O-CB 3.41Å; S162-F166 PolarHBondContact O-N 3.23Å; L163-F166 PolarHBondContact O-N 2.95Å; F166-A168 VanDerWaalsContact C-N 3.29Å; F166-A168 PolarHBondContact O-N 3.14Å; F166-A169 WeakPolarHBondContact O-CB 3.34Å; F166-A169 PolarHBondContact O-N 3.3Å; F166-A169 VanDerWaalsContact O-N 3.12Å; F166-M170 HydrophobicContact CD1-CG 3.97Å; F166-M170 HydrophobicContact CD1-SD 3.81Å; F166-M170 HydrophobicContact CE1-CG 3.84Å; F166-M170 HydrophobicContact CE1-SD 3.8Å; F166-M170 WeakPolarHBondContact O-CG 3.42Å; F166-M170 PolarHBondContact O-N 2.88Å; F166-I179 HydrophobicContact CB-CD1 4.1Å; F166-I179 HydrophobicContact CD1-CD1 3.82Å; F166-I179 HydrophobicContact CG-CD1 4.47Å; F166-I213 HydrophobicContact CE1-CD1 4.09Å; F166-I213 HydrophobicContact CZ-CD1 4.33Å; F166-I213 HydrophobicContact CZ-CG1 4.42Å; F166-V215 HydrophobicContact CD2-CG1 4.32Å; F166-V215 HydrophobicContact CE2-CB 4.06Å; F166-V215 HydrophobicContact CE2-CG1 3.74Å; F166-V215 WeakPolarHBondContact CE2-O 3.39Å; F166-V215 HydrophobicContact CZ-CB 3.83Å; F166-V215 HydrophobicContact CZ-CG1 3.9Å; F166-L217 HydrophobicContact CB-CD1 3.83Å; F166-L217 HydrophobicContact CD2-CB 4.16Å; F166-L217 HydrophobicContact CD2-CD1 3.99Å; F166-L217 HydrophobicContact CG-CD1 4.41Å
167	Q	98.7	Very high	98.4	Very high	39 Å²	39	58 Å²	58	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-60.3	-41.1	174.3	-177.7	66	86.7	0	0	111.3	L163 E164 L171 R177 H178 I179	L163-Q167 WeakPolarHBondContact O-CB 3.36Å; L163-Q167 PolarHBondContact O-N 2.89Å; E164-Q167 PolarHBondContact O-N 3.04Å; Q167-L171 PolarHBondContact O-N 3.35Å; Q167-L171 VanDerWaalsContact O-N 3.1Å; Q167-R177 PolarHBondContact NE2-O 3.18Å; Q167-H178 PolarHBondContact OE1-ND1 2.79Å; Q167-I179 HydrophobicContact CB-CD1 3.82Å; Q167-I179 HydrophobicContact CB-CG1 4.46Å
168	A	98.4	Very high	98.4	Very high	58 Å²	58	61.8 Å²	61.8	48%	0.479	34%	0.337	S	S	.	.	H	α-helix	trans	-67.1	-38.4	174.4	0	0	0	0	0	112.2	E164 R165 F166 L171 A172	E164-A168 PolarHBondContact O-N 3.32Å; R165-A168 PolarHBondContact O-N 3.41Å; F166-A168 VanDerWaalsContact C-N 3.29Å; F166-A168 PolarHBondContact O-N 3.14Å; A168-L171 PolarHBondContact O-N 3.42Å; A168-A172 WeakPolarHBondContact O-CB 3.42Å; A168-A172 PolarHBondContact O-N 3.43Å
169	A	98.5	Very high	98.4	Very high	15 Å²	15	61.6 Å²	61.6	12%	0.124	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-40.1	176.3	0	0	0	0	0	112.5	R165 F166 A172 A173 V215 P218	R165-A169 WeakPolarHBondContact O-CB 3.48Å; R165-A169 PolarHBondContact O-N 2.74Å; F166-A169 WeakPolarHBondContact O-CB 3.34Å; F166-A169 PolarHBondContact O-N 3.3Å; F166-A169 VanDerWaalsContact O-N 3.12Å; A169-A172 PolarHBondContact O-N 2.97Å; A169-A173 WeakPolarHBondContact O-CB 3.1Å; A169-A173 PolarHBondContact O-N 2.97Å; A169-V215 HydrophobicContact CB-CG1 3.64Å; A169-P218 HydrophobicContact CB-CG 3.81Å
170	M	98.6	Very high	98.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-58	-49.5	171.4	-74.2	178.2	64.1	0	0	110.8	P130 A131 F166 A172 A173 D174 D175 R177 I179 I213 V215	P130-M170 HydrophobicContact CG-SD 4.21Å; A131-M170 HydrophobicContact CB-CE 4.03Å; F166-M170 HydrophobicContact CD1-CG 3.97Å; F166-M170 HydrophobicContact CD1-SD 3.81Å; F166-M170 HydrophobicContact CE1-CG 3.84Å; F166-M170 HydrophobicContact CE1-SD 3.8Å; F166-M170 WeakPolarHBondContact O-CG 3.42Å; F166-M170 PolarHBondContact O-N 2.88Å; M170-A172 VanDerWaalsContact C-N 3.31Å; M170-A172 PolarHBondContact O-N 2.9Å; M170-A173 CarbonylContact O-C 3.4Å; M170-A173 WeakPolarHBondContact O-CA 3.29Å; M170-A173 PolarHBondContact O-N 2.78Å; M170-D174 PolarHBondContact O-N 3.09Å; M170-D175 CarbonylContact C-O 3.21Å; M170-D175 HydrophobicContact CB-CB 4.22Å; M170-D175 HydrophobicContact CE-CB 4.37Å; M170-D175 WeakPolarHBondContact CE-OD2 3.42Å; M170-D175 PolarHBondContact O-N 3.4Å; M170-R177 HydrophobicContact CE-CB 4.41Å; M170-I179 HydrophobicContact SD-CD1 3.96Å; M170-I179 HydrophobicContact SD-CG1 3.59Å; M170-I179 VanDerWaalsContact SD-CG1 3.59Å; M170-I213 HydrophobicContact CE-CD1 3.9Å; M170-I213 HydrophobicContact CG-CD1 3.81Å; M170-I213 HydrophobicContact SD-CD1 3.96Å; M170-V215 HydrophobicContact CG-CG1 4.35Å; M170-V215 HydrophobicContact CG-CG2 4.4Å
171	L	98.4	Very high	98.3	Very high	113 Å²	113	59.8 Å²	59.8	59%	0.592	34%	0.337	S	S	*	.	H	α-helix	trans	-60.5	-40.4	178	-178.5	63.2	0	0	0	112.2	Q167 A168 A173 D174 D175	Q167-L171 PolarHBondContact O-N 3.35Å; Q167-L171 VanDerWaalsContact O-N 3.1Å; A168-L171 PolarHBondContact O-N 3.42Å; L171-A173 PolarHBondContact O-N 3.4Å; L171-D174 PolarHBondContact O-N 3.44Å; L171-D175 PolarHBondContact N-O 3.28Å
172	A	98.1	Very high	98.3	Very high	86 Å²	86	60.5 Å²	60.5	71%	0.711	33%	0.333	S	S	*	.	H	α-helix	trans	-68.1	-19.2	176.1	0	0	0	0	0	113.5	A168 A169 M170	A168-A172 WeakPolarHBondContact O-CB 3.42Å; A168-A172 PolarHBondContact O-N 3.43Å; A169-A172 PolarHBondContact O-N 2.97Å; M170-A172 VanDerWaalsContact C-N 3.31Å; M170-A172 PolarHBondContact O-N 2.9Å
173	A	98	Very high	98.3	Very high	55 Å²	55	61.8 Å²	61.8	46%	0.455	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	19.3	174.9	0	0	0	0	0	112.8	A169 M170 L171 D175 V215	A169-A173 WeakPolarHBondContact O-CB 3.1Å; A169-A173 PolarHBondContact O-N 2.97Å; M170-A173 CarbonylContact O-C 3.4Å; M170-A173 WeakPolarHBondContact O-CA 3.29Å; M170-A173 PolarHBondContact O-N 2.78Å; L171-A173 PolarHBondContact O-N 3.4Å; A173-D175 PolarHBondContact O-N 3.09Å; A173-V215 HydrophobicContact CB-CG2 3.84Å
174	D	97.9	Very high	98.3	Very high	157 Å²	157	61.4 Å²	61.4	84%	0.84	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	25.6	-178.9	-59.2	-56.4	0	0	0	114.4	M170 L171	M170-D174 PolarHBondContact O-N 3.09Å; L171-D174 PolarHBondContact O-N 3.44Å
175	D	98.2	Very high	98	Very high	25 Å²	25	60.7 Å²	60.7	13%	0.134	34%	0.343	C	S	.	.			trans	-105.3	100.6	169.8	-169.8	-10.9	0	0	0	110	M170 L171 A173 R177	M170-D175 CarbonylContact C-O 3.21Å; M170-D175 HydrophobicContact CB-CB 4.22Å; M170-D175 HydrophobicContact CE-CB 4.37Å; M170-D175 WeakPolarHBondContact CE-OD2 3.42Å; M170-D175 PolarHBondContact O-N 3.4Å; L171-D175 PolarHBondContact N-O 3.28Å; A173-D175 PolarHBondContact O-N 3.09Å; D175-R177 VanDerWaalsContact C-N 3.29Å; D175-R177 VanDerWaalsContact OD1-CB 3.23Å; D175-R177 WeakPolarHBondContact OD1-CB 3.22Å; D175-R177 WeakPolarHBondContact OD1-CG 3.26Å; D175-R177 IonicContact OD1-CZ 3.39Å; D175-R177 PolarHBondContact OD1-N 2.84Å; D175-R177 VanDerWaalsContact OD1-N 3.13Å; D175-R177 IonicContact OD1-NE 3.75Å; D175-R177 PolarHBondContact OD1-NE 2.88Å; D175-R177 IonicContact OD1-NH2 2.71Å; D175-R177 IonicContact OD2-CZ 3.9Å; D175-R177 IonicContact OD2-NE 2.88Å; D175-R177 PolarHBondContact OD2-NE 3.21Å; D175-R177 IonicContact OD2-NH2 3.68Å; D175-R177 PolarHBondContact OD2-NH2 2.86Å
176	D	97.8	Very high	97.8	Very high	140 Å²	140	60.3 Å²	60.3	75%	0.749	35%	0.35	S	S	*	.			trans	-85.9	2.5	-178.3	70.6	-13.1	0	0	0	113.7
177	R	98.1	Very high	97.6	Very high	85 Å²	85	62.8 Å²	62.8	32%	0.321	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-65.8	144.3	178.3	-60.8	178.3	-63.9	156.3	-1.8	110.3	D129 A131 Q167 M170 D175	D129-R177 IonicContact OD1-CZ 2.7Å; D129-R177 IonicContact OD1-NH1 3.55Å; D129-R177 PolarHBondContact OD1-NH1 3.2Å; D129-R177 IonicContact OD1-NH2 2.86Å; D129-R177 IonicContact OD2-CZ 3.2Å; D129-R177 IonicContact OD2-NH1 3.39Å; D129-R177 PolarHBondContact OD2-NH1 3.25Å; D129-R177 IonicContact OD2-NH2 3.79Å; D129-R177 PolarHBondContact OD2-NH2 3.19Å; A131-R177 HydrophobicContact CB-CB 3.82Å; Q167-R177 PolarHBondContact NE2-O 3.18Å; M170-R177 HydrophobicContact CE-CB 4.41Å; D175-R177 VanDerWaalsContact C-N 3.29Å; D175-R177 VanDerWaalsContact OD1-CB 3.23Å; D175-R177 WeakPolarHBondContact OD1-CB 3.22Å; D175-R177 WeakPolarHBondContact OD1-CG 3.26Å; D175-R177 IonicContact OD1-CZ 3.39Å; D175-R177 PolarHBondContact OD1-N 2.84Å; D175-R177 VanDerWaalsContact OD1-N 3.13Å; D175-R177 IonicContact OD1-NE 3.75Å; D175-R177 PolarHBondContact OD1-NE 2.88Å; D175-R177 IonicContact OD1-NH2 2.71Å; D175-R177 IonicContact OD2-CZ 3.9Å; D175-R177 IonicContact OD2-NE 2.88Å; D175-R177 PolarHBondContact OD2-NE 3.21Å; D175-R177 IonicContact OD2-NH2 3.68Å; D175-R177 PolarHBondContact OD2-NH2 2.86Å
178	H	98.1	Very high	97.6	Very high	138 Å²	138	64.8 Å²	64.8	64%	0.639	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-81.4	134.9	175.4	-169.1	47	0	0	0	110.9	A131 Q167 T180	A131-H178 VanDerWaalsContact CB-O 3.29Å; A131-H178 WeakPolarHBondContact CB-O 3.44Å; Q167-H178 PolarHBondContact OE1-ND1 2.79Å; H178-T180 PolarHBondContact O-N 3.42Å
179	I	98.7	Very high	97.6	Very high	6 Å²	6	63.6 Å²	63.6	3%	0.031	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-59.9	127.4	169	-69.6	177.5	0	0	0	109.1	W125 P130 L163 F166 Q167 M170 T181	W125-I179 HydrophobicContact CE3-CD1 4.44Å; W125-I179 HydrophobicContact CH2-CD1 4.32Å; W125-I179 HydrophobicContact CH2-CG2 3.96Å; W125-I179 HydrophobicContact CZ3-CD1 3.87Å; W125-I179 HydrophobicContact CZ3-CG2 3.82Å; P130-I179 HydrophobicContact CB-CG1 4.48Å; P130-I179 HydrophobicContact CB-CG2 4.2Å; P130-I179 HydrophobicContact CG-CG1 4.18Å; L163-I179 HydrophobicContact CD1-CG2 4.02Å; L163-I179 HydrophobicContact CG-CD1 4.33Å; L163-I179 HydrophobicContact CG-CG2 4.07Å; F166-I179 HydrophobicContact CB-CD1 4.1Å; F166-I179 HydrophobicContact CD1-CD1 3.82Å; F166-I179 HydrophobicContact CG-CD1 4.47Å; Q167-I179 HydrophobicContact CB-CD1 3.82Å; Q167-I179 HydrophobicContact CB-CG1 4.46Å; M170-I179 HydrophobicContact SD-CD1 3.96Å; M170-I179 HydrophobicContact SD-CG1 3.59Å; M170-I179 VanDerWaalsContact SD-CG1 3.59Å; I179-T181 WeakPolarHBondContact CG2-OG1 3.19Å
180	T	98.1	Very high	97.6	Very high	64 Å²	64	65 Å²	65	39%	0.393	37%	0.368	S	S	.	.			trans	-103.7	5.6	178.2	56.8	0	0	0	0	112.9	P130 G133 H178 E182	P130-T180 WeakPolarHBondContact O-CA 3.24Å; P130-T180 PolarHBondContact O-N 2.87Å; P130-T180 PolarHBondContact O-OG1 3.44Å; G133-T180 WeakPolarHBondContact CA-OG1 3.44Å; G133-T180 PolarHBondContact N-OG1 2.83Å; H178-T180 PolarHBondContact O-N 3.42Å; T180-E182 PolarHBondContact O-N 3.15Å
181	T	98.7	Very high	97.6	Very high	12 Å²	12	67 Å²	67	7%	0.074	38%	0.376	C	S	.	.			trans	-56.6	122	178.2	-57.9	0	0	0	0	111.2	F124 W125 P130 S146 I148 I179 I183	F124-T181 HydrophobicContact CE1-CG2 4Å; F124-T181 HydrophobicContact CZ-CG2 3.66Å; W125-T181 HydrophobicContact CH2-CG2 3.92Å; W125-T181 HydrophobicContact CZ3-CG2 4.42Å; W125-T181 WeakPolarHBondContact CZ3-OG1 3.3Å; P130-T181 VanDerWaalsContact CB-OG1 3.31Å; P130-T181 WeakPolarHBondContact CB-OG1 3.2Å; P130-T181 PolarHBondContact O-N 3.47Å; S146-T181 WeakPolarHBondContact O-CA 3.39Å; S146-T181 WeakPolarHBondContact OG-CB 3.46Å; S146-T181 WeakPolarHBondContact OG-CG2 3.5Å; S146-T181 PolarHBondContact OG-OG1 2.94Å; I148-T181 HydrophobicContact CD1-CG2 4.17Å; I148-T181 HydrophobicContact CG1-CG2 4.09Å; I179-T181 WeakPolarHBondContact CG2-OG1 3.19Å; T181-I183 HydrophobicContact CG2-CG1 4.5Å
182	E	98	Very high	97.6	Very high	54 Å²	54	61.7 Å²	61.7	25%	0.252	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	131.8	170.9	-177.1	-172.4	149.8	0	0	109.8	R145 S146 A147 I148 T180 A184	R145-E182 IonicContact CZ-OE2 3.95Å; R145-E182 IonicContact NE-OE2 3.59Å; R145-E182 PolarHBondContact NE-OE2 3.44Å; R145-E182 IonicContact NH2-OE2 3.5Å; S146-E182 PolarHBondContact O-N 3.27Å; A147-E182 CarbonylContact C-O 3.52Å; A147-E182 VanDerWaalsContact CA-O 3.25Å; A147-E182 WeakPolarHBondContact CA-O 3.32Å; A147-E182 HydrophobicContact CB-CB 3.86Å; I148-E182 PolarHBondContact N-O 3.1Å; T180-E182 PolarHBondContact O-N 3.15Å; E182-A184 HydrophobicContact CG-CB 4.11Å; E182-A184 WeakPolarHBondContact OE1-CB 3.49Å
183	I	98.7	Very high	97.6	Very high	26 Å²	26	59.7 Å²	59.7	13%	0.133	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	102.8	168.2	-55.7	-179.9	0	0	0	107.8	I148 P150 A159 R160 L163 T181	I148-I183 HydrophobicContact CB-CG1 4.39Å; I148-I183 HydrophobicContact CD1-CG1 4.48Å; I148-I183 WeakPolarHBondContact O-CA 3.43Å; P150-I183 HydrophobicContact CG-CG2 3.93Å; A159-I183 HydrophobicContact CB-CD1 4.09Å; A159-I183 HydrophobicContact CB-CG2 4.15Å; R160-I183 HydrophobicContact CG-CD1 4.17Å; R160-I183 HydrophobicContact CG-CG2 4.46Å; L163-I183 HydrophobicContact CB-CD1 4.13Å; L163-I183 HydrophobicContact CD1-CD1 3.63Å; L163-I183 HydrophobicContact CD1-CG1 4.29Å; T181-I183 HydrophobicContact CG2-CG1 4.5Å
184	A	97.5	Very high	97.5	Very high	31 Å²	31	60.4 Å²	60.4	26%	0.256	32%	0.32	S	S	.	.			trans	-137.6	148	-175.2	0	0	0	0	0	111.1	I148 Y149 P150 E182 A186	I148-A184 PolarHBondContact O-N 2.73Å; Y149-A184 WeakPolarHBondContact CA-O 3.26Å; P150-A184 WeakPolarHBondContact CD-O 3.4Å; E182-A184 HydrophobicContact CG-CB 4.11Å; E182-A184 WeakPolarHBondContact OE1-CB 3.49Å; A184-A186 PolarHBondContact O-N 2.67Å
185	N	93.3	Very high	97.5	Very high	125 Å²	125	59 Å²	59	67%	0.668	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-53.1	136.9	178.9	-69	-30.2	0	0	0	111.4	T187	N185-T187 PolarHBondContact O-N 3.14Å
186	A	93.6	Very high	97.4	Very high	38 Å²	38	58.8 Å²	58.8	31%	0.314	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-57.1	123.7	179.7	0	0	0	0	0	112.5	P150 L151 A184	P150-A186 WeakPolarHBondContact O-CB 3.41Å; P150-A186 PolarHBondContact O-N 3.26Å; L151-A186 HydrophobicContact CG-CB 3.99Å; A184-A186 PolarHBondContact O-N 2.67Å
187	T	94.7	Very high	97.5	Very high	51 Å²	51	52.2 Å²	52.2	31%	0.313	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-89.1	171.7	165.2	61.2	0	0	0	0	110	T83 G84 N185 F189	T83-T187 PolarHBondContact OG1-O 3.33Å; T83-T187 VanDerWaalsContact OG1-O 3.1Å; T83-T187 PolarHBondContact OG1-OG1 2.75Å; G84-T187 WeakPolarHBondContact CA-OG1 3.41Å; G84-T187 PolarHBondContact N-OG1 3.44Å; N185-T187 PolarHBondContact O-N 3.14Å; T187-F189 PolarHBondContact O-N 3.04Å
188	P	97.4	Very high	97.5	Very high	82 Å²	82	48.3 Å²	48.3	53%	0.532	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-50.2	131.4	175.4	-29.1	37	0	0	0	112.7	T83 Y190	T83-P188 PolarHBondContact OG1-O 2.88Å; P188-Y190 HydrophobicContact CB-CE1 4.38Å; P188-Y190 HydrophobicContact CB-CE2 4.1Å
189	F	98.5	Very high	97.5	Very high	33 Å²	33	44 Å²	44	15%	0.145	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-88.4	121.7	173.2	-179	-88.7	0	0	0	109.7	I56 A79 G81 T83 A105 R107 T187 Y191	I56-F189 HydrophobicContact CD1-CB 4.37Å; I56-F189 HydrophobicContact CD1-CD2 4.46Å; I56-F189 HydrophobicContact CG2-CD2 4.26Å; A79-F189 HydrophobicContact CB-CE1 4.31Å; A79-F189 HydrophobicContact CB-CZ 4.45Å; A79-F189 WeakPolarHBondContact O-CZ 3.46Å; G81-F189 VanDerWaalsContact CA-CZ 3.44Å; T83-F189 HydrophobicContact CG2-CD2 4.48Å; A105-F189 HydrophobicContact CB-CE2 4.38Å; R107-F189 HydrophobicContact CB-CD1 4.19Å; R107-F189 HydrophobicContact CB-CD2 4.02Å; R107-F189 HydrophobicContact CB-CE1 3.83Å; R107-F189 HydrophobicContact CB-CE2 3.65Å; R107-F189 HydrophobicContact CB-CG 4.27Å; R107-F189 HydrophobicContact CB-CZ 3.53Å; T187-F189 PolarHBondContact O-N 3.04Å; F189-Y191 HydrophobicContact CD1-CD2 4.27Å; F189-Y191 HydrophobicContact CD1-CE2 4.26Å; F189-Y191 HydrophobicContact CE1-CD1 4.14Å; F189-Y191 HydrophobicContact CE1-CD2 4.33Å; F189-Y191 HydrophobicContact CE1-CE1 4.29Å; F189-Y191 HydrophobicContact CE1-CE2 4.46Å; F189-Y191 HydrophobicContact CE1-CG 4.15Å
190	Y	98.5	Very high	97.5	Very high	43 Å²	43	44 Å²	44	17%	0.169	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.9	176.3	-59.3	-72.6	0	0	0	109.8	G81 Y82 P88 N89 H102 P188 A192	G81-Y190 CarbonylContact C-O 3.52Å; G81-Y190 WeakPolarHBondContact CA-O 3.48Å; Y82-Y190 PolarHBondContact N-O 3.17Å; Y82-Y190 PolarHBondContact O-N 2.94Å; P88-Y190 HydrophobicContact CB-CE1 4.46Å; N89-Y190 HydrophobicContact CB-CD1 4.27Å; N89-Y190 VanDerWaalsContact OD1-CD1 3.28Å; N89-Y190 WeakPolarHBondContact OD1-CD1 3.41Å; H102-Y190 AromaticContact CE1-CD2 3.8Å; H102-Y190 AromaticContact CE1-CE2 3.69Å; H102-Y190 AromaticContact NE2-CD2 3.84Å; H102-Y190 AromaticContact NE2-CE2 3.78Å; P188-Y190 HydrophobicContact CB-CE1 4.38Å; P188-Y190 HydrophobicContact CB-CE2 4.1Å; Y190-A192 PolarHBondContact O-N 3.12Å
191	Y	98.5	Very high	97.5	Very high	43 Å²	43	45.4 Å²	45.4	17%	0.169	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	136.4	176.3	-69.7	-99.5	0	0	0	110.5	M32 V34 M45 A79 R107 F189	M32-Y191 WeakPolarHBondContact CB-O 3.24Å; M32-Y191 WeakPolarHBondContact CG-O 3.44Å; V34-Y191 HydrophobicContact CB-CD1 4.48Å; V34-Y191 HydrophobicContact CG1-CD1 3.67Å; V34-Y191 HydrophobicContact CG1-CE1 3.92Å; V34-Y191 HydrophobicContact CG1-CG 4.17Å; V34-Y191 HydrophobicContact CG2-CD1 3.89Å; V34-Y191 HydrophobicContact CG2-CD2 3.81Å; V34-Y191 HydrophobicContact CG2-CE2 4.49Å; V34-Y191 HydrophobicContact CG2-CG 3.48Å; V34-Y191 VanDerWaalsContact CG2-CG 3.48Å; M45-Y191 PolarHBondContact O-OH 3.31Å; M45-Y191 VanDerWaalsContact O-OH 3.14Å; A79-Y191 HydrophobicContact CB-CD1 3.78Å; A79-Y191 HydrophobicContact CB-CE1 3.5Å; R107-Y191 PolarHBondContact NH1-OH 3.26Å; F189-Y191 HydrophobicContact CD1-CD2 4.27Å; F189-Y191 HydrophobicContact CD1-CE2 4.26Å; F189-Y191 HydrophobicContact CE1-CD1 4.14Å; F189-Y191 HydrophobicContact CE1-CD2 4.33Å; F189-Y191 HydrophobicContact CE1-CE1 4.29Å; F189-Y191 HydrophobicContact CE1-CE2 4.46Å; F189-Y191 HydrophobicContact CE1-CG 4.15Å
192	A	98.3	Very high	97.4	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-72	161.8	167	0	0	0	0	0	110.6	F62 A80 Y82 Y190 H196 Q197	F62-A192 HydrophobicContact CE1-CB 3.63Å; F62-A192 HydrophobicContact CZ-CB 4.27Å; A80-A192 HydrophobicContact CB-CB 4.38Å; A80-A192 PolarHBondContact O-N 3.31Å; Y82-A192 HydrophobicContact CE1-CB 4.37Å; Y82-A192 HydrophobicContact CE2-CB 3.86Å; Y82-A192 WeakPolarHBondContact OH-CB 3.4Å; Y190-A192 PolarHBondContact O-N 3.12Å; A192-H196 HydrophobicContact CB-CB 3.89Å; A192-Q197 PolarHBondContact O-NE2 3.03Å
193	E	97.9	Very high	97.4	Very high	45 Å²	45	49.3 Å²	49.3	21%	0.21	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-53.3	150.1	175.5	-59.8	89.6	152.4	0	0	111.9	M32 Y82 T91 Y92 D195 H196	M32-E193 HydrophobicContact SD-CG 4.08Å; Y82-E193 PolarHBondContact OH-OE2 2.87Å; T91-E193 VanDerWaalsContact CA-OE1 3.24Å; T91-E193 WeakPolarHBondContact CA-OE1 3.47Å; T91-E193 VanDerWaalsContact CB-OE1 3.3Å; T91-E193 WeakPolarHBondContact CB-OE1 3.48Å; Y92-E193 PolarHBondContact N-OE1 3.33Å; Y92-E193 PolarHBondContact N-OE2 3.46Å; E193-D195 PolarHBondContact O-N 3.35Å; E193-D195 VanDerWaalsContact O-N 3.09Å; E193-H196 WeakPolarHBondContact O-CB 3.49Å; E193-H196 PolarHBondContact O-N 3.05Å; E193-H196 IonicContact OE2-CD2 3.24Å; E193-H196 IonicContact OE2-NE2 2.79Å
194	D	97	Very high	97.2	Very high	70 Å²	70	52.1 Å²	52.1	37%	0.374	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-55.5	-33.4	-174.4	-174.4	72.4	0	0	0	113.4	H196 Q197 K202	D194-H196 PolarHBondContact O-N 2.84Å; D194-H196 VanDerWaalsContact O-N 3.12Å; D194-Q197 WeakPolarHBondContact O-CB 3.24Å; D194-Q197 PolarHBondContact O-N 2.72Å; D194-K202 PolarHBondContact O-NZ 2.7Å; D194-K202 IonicContact OD1-NZ 3.8Å; D194-K202 PolarHBondContact OD1-NZ 3.47Å; D194-K202 IonicContact OD2-NZ 2.98Å; D194-K202 PolarHBondContact OD2-NZ 3.23Å
195	D	96.9	Very high	97.1	Very high	126 Å²	126	61.7 Å²	61.7	67%	0.674	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-59.2	-24	177.1	-69.4	-13.1	0	0	0	112.7	E193 Y199	E193-D195 PolarHBondContact O-N 3.35Å; E193-D195 VanDerWaalsContact O-N 3.09Å; D195-Y199 WeakPolarHBondContact O-CD2 3.3Å
196	H	98.1	Very high	97.2	Very high	22 Å²	22	56.7 Å²	56.7	10%	0.102	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-89.8	-21	175.5	-61.6	-56.5	0	0	0	113.7	F62 W63 A80 Y92 A192 E193 D194 Q198 Y199	F62-H196 HydrophobicContact CE1-CB 3.7Å; F62-H196 HydrophobicContact CZ-CB 3.57Å; F62-H196 AromaticContact CZ-CG 3.55Å; F62-H196 AromaticContact CZ-ND1 3.77Å; W63-H196 AromaticContact CE2-ND1 3.61Å; W63-H196 AromaticContact CZ2-CE1 3.81Å; W63-H196 AromaticContact CZ2-ND1 3.45Å; W63-H196 WeakPolarHBondContact CZ2-ND1 3.3Å; W63-H196 AromaticContact NE1-CG 3.86Å; W63-H196 AromaticContact NE1-ND1 3.21Å; W63-H196 PolarHBondContact NE1-ND1 3.43Å; A80-H196 HydrophobicContact CB-CB 4.48Å; Y92-H196 WeakPolarHBondContact CB-NE2 3.38Å; Y92-H196 AromaticContact CD1-NE2 3.87Å; Y92-H196 AromaticContact CD2-CE1 3.79Å; Y92-H196 AromaticContact CD2-NE2 3.62Å; Y92-H196 AromaticContact CG-CE1 3.74Å; Y92-H196 AromaticContact CG-NE2 3.33Å; Y92-H196 VanDerWaalsContact CG-NE2 3.33Å; A192-H196 HydrophobicContact CB-CB 3.89Å; E193-H196 WeakPolarHBondContact O-CB 3.49Å; E193-H196 PolarHBondContact O-N 3.05Å; E193-H196 IonicContact OE2-CD2 3.24Å; E193-H196 IonicContact OE2-NE2 2.79Å; D194-H196 PolarHBondContact O-N 2.84Å; D194-H196 VanDerWaalsContact O-N 3.12Å; H196-Q198 PolarHBondContact O-N 3.41Å; H196-Y199 PolarHBondContact O-N 3.22Å
197	Q	98.5	Very high	97	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	123.2	-178.7	-58	-60.5	-22.7	0	0	110.8	M45 A80 A192 D194 Y199 K202	M45-Q197 HydrophobicContact CE-CB 4.42Å; M45-Q197 HydrophobicContact CE-CG 4.26Å; A80-Q197 PolarHBondContact O-NE2 3.27Å; A192-Q197 PolarHBondContact O-NE2 3.03Å; D194-Q197 WeakPolarHBondContact O-CB 3.24Å; D194-Q197 PolarHBondContact O-N 2.72Å; Q197-Y199 PolarHBondContact O-N 2.88Å; Q197-K202 WeakPolarHBondContact O-CD 3.34Å; Q197-K202 WeakPolarHBondContact O-CE 3.37Å; Q197-K202 PolarHBondContact O-NZ 2.98Å; Q197-K202 VanDerWaalsContact O-NZ 3.11Å
198	Q	98.4	Very high	96.9	Very high	3 Å²	3	58.7 Å²	58.7	1%	0.014	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.4	-175.1	-60.1	84.3	62.1	0	0	112.4	H38 A39 V40 E66 W70 T78 H196 L200 H201 K202	H38-Q198 PolarHBondContact CD2-NE2 3.01Å; H38-Q198 VanDerWaalsContact NE2-CD 3.32Å; H38-Q198 VanDerWaalsContact NE2-CG 3.29Å; H38-Q198 WeakPolarHBondContact NE2-CG 3.32Å; H38-Q198 PolarHBondContact NE2-NE2 2.91Å; A39-Q198 HydrophobicContact CB-CB 4.13Å; A39-Q198 HydrophobicContact CB-CG 4.42Å; V40-Q198 HydrophobicContact CG2-CB 4.09Å; V40-Q198 HydrophobicContact CG2-CG 3.91Å; E66-Q198 PolarHBondContact OE1-NE2 3.17Å; E66-Q198 WeakPolarHBondContact OE2-CA 3.28Å; E66-Q198 PolarHBondContact OE2-N 3.42Å; W70-Q198 HydrophobicContact CE3-CB 4.44Å; W70-Q198 HydrophobicContact CE3-CG 3.98Å; W70-Q198 HydrophobicContact CH2-CB 4.36Å; W70-Q198 HydrophobicContact CZ3-CB 4.05Å; W70-Q198 HydrophobicContact CZ3-CG 4.04Å; T78-Q198 PolarHBondContact O-NE2 2.7Å; H196-Q198 PolarHBondContact O-N 3.41Å; Q198-L200 VanDerWaalsContact C-N 3.29Å; Q198-L200 PolarHBondContact O-N 3.03Å; Q198-H201 HydrophobicContact CB-CB 4.09Å; Q198-H201 WeakPolarHBondContact O-CA 3.46Å; Q198-H201 WeakPolarHBondContact O-CB 3.48Å; Q198-H201 PolarHBondContact O-N 3.11Å; Q198-K202 PolarHBondContact O-N 2.84Å; Q198-K202 VanDerWaalsContact O-N 3.1Å
199	Y	98.4	Very high	96.3	Very high	47 Å²	47	56.2 Å²	56.2	18%	0.184	28%	0.279	C	S	.	.	H	α-helix	trans	-50.9	-45.3	-173.4	172.8	-94.8	0	0	0	112.8	W63 D195 H196 Q197 H201 K202 N203	W63-Y199 HydrophobicContact CB-CD1 3.84Å; W63-Y199 HydrophobicContact CB-CG 4.33Å; W63-Y199 VanDerWaalsContact CD1-CB 3.49Å; W63-Y199 AromaticContact CD1-CG 3.9Å; W63-Y199 AromaticContact CD2-CD1 3.46Å; W63-Y199 HydrophobicContact CD2-CD1 3.46Å; W63-Y199 VanDerWaalsContact CD2-CD1 3.46Å; W63-Y199 HydrophobicContact CD2-CD2 4.31Å; W63-Y199 AromaticContact CD2-CE1 3.85Å; W63-Y199 HydrophobicContact CD2-CE1 3.85Å; W63-Y199 AromaticContact CD2-CG 3.72Å; W63-Y199 HydrophobicContact CD2-CG 3.72Å; W63-Y199 AromaticContact CE2-CG 3.92Å; W63-Y199 AromaticContact CE3-CD1 3.63Å; W63-Y199 HydrophobicContact CE3-CD1 3.63Å; W63-Y199 AromaticContact CE3-CE1 3.51Å; W63-Y199 HydrophobicContact CE3-CE1 3.51Å; W63-Y199 HydrophobicContact CE3-CG 4.26Å; W63-Y199 AromaticContact CG-CD1 3.57Å; W63-Y199 HydrophobicContact CG-CD1 3.57Å; W63-Y199 HydrophobicContact CG-CE1 4.39Å; W63-Y199 AromaticContact CG-CG 3.73Å; W63-Y199 HydrophobicContact CG-CG 3.73Å; W63-Y199 HydrophobicContact CH2-CE2 4.48Å; W63-Y199 HydrophobicContact CZ2-CD2 4.43Å; W63-Y199 HydrophobicContact CZ2-CE2 4.45Å; W63-Y199 HydrophobicContact CZ3-CD1 4.39Å; W63-Y199 AromaticContact CZ3-CE1 3.91Å; W63-Y199 HydrophobicContact CZ3-CE1 3.91Å; D195-Y199 WeakPolarHBondContact O-CD2 3.3Å; H196-Y199 PolarHBondContact O-N 3.22Å; Q197-Y199 PolarHBondContact O-N 2.88Å; Y199-H201 VanDerWaalsContact C-N 3.31Å; Y199-H201 PolarHBondContact O-N 2.86Å; Y199-K202 CarbonylContact O-C 3.52Å; Y199-K202 PolarHBondContact O-N 3.17Å; Y199-N203 WeakPolarHBondContact CD2-ND2 3.28Å; Y199-N203 HydrophobicContact CE1-CB 4.26Å; Y199-N203 HydrophobicContact CE2-CB 4.33Å; Y199-N203 WeakPolarHBondContact CE2-ND2 3.27Å; Y199-N203 WeakPolarHBondContact O-CA 3.29Å; Y199-N203 WeakPolarHBondContact O-CB 3.34Å; Y199-N203 PolarHBondContact O-N 3.26Å; Y199-N203 PolarHBondContact O-ND2 2.63Å; Y199-N203 VanDerWaalsContact O-ND2 3.15Å
200	L	98.2	Very high	95.9	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-75.6	-14.7	-179.6	-68.3	178.7	0	0	0	114.3	W63 R67 W70 Q198 N203 P204 C208	W63-L200 HydrophobicContact CB-CG 4.29Å; W63-L200 WeakPolarHBondContact O-CD1 3.32Å; R67-L200 HydrophobicContact CB-CB 4.43Å; R67-L200 HydrophobicContact CB-CD1 4.03Å; W70-L200 HydrophobicContact CH2-CB 4.1Å; W70-L200 HydrophobicContact CZ2-CB 4.34Å; Q198-L200 VanDerWaalsContact C-N 3.29Å; Q198-L200 PolarHBondContact O-N 3.03Å; L200-N203 CarbonylContact O-C 3.55Å; L200-P204 WeakPolarHBondContact O-CA 3.47Å; L200-C208 HydrophobicContact CD1-CB 3.88Å; L200-C208 HydrophobicContact CD2-CB 4.41Å
201	H	97.8	Very high	95.5	Very high	93 Å²	93	56.4 Å²	56.4	43%	0.431	29%	0.293	S	S	.	.	H	α-helix	trans	-75.9	-45.4	166.2	174.8	74.1	0	0	0	110.6	V40 W70 Q198 Y199 N203	V40-H201 HydrophobicContact CG2-CB 3.55Å; W70-H201 HydrophobicContact CZ2-CB 4.25Å; Q198-H201 HydrophobicContact CB-CB 4.09Å; Q198-H201 WeakPolarHBondContact O-CA 3.46Å; Q198-H201 WeakPolarHBondContact O-CB 3.48Å; Q198-H201 PolarHBondContact O-N 3.11Å; Y199-H201 VanDerWaalsContact C-N 3.31Å; Y199-H201 PolarHBondContact O-N 2.86Å; H201-N203 VanDerWaalsContact C-N 3.31Å; H201-N203 PolarHBondContact O-N 3.13Å
202	K	97.9	Very high	95.3	Very high	78 Å²	78	56.1 Å²	56.1	34%	0.339	30%	0.304	S	S	.	.	H	α-helix	trans	-68.1	-31.8	177.3	-61.2	175.7	-176.4	177.1	0	111.8	D194 Q197 Q198 Y199	D194-K202 PolarHBondContact O-NZ 2.7Å; D194-K202 IonicContact OD1-NZ 3.8Å; D194-K202 PolarHBondContact OD1-NZ 3.47Å; D194-K202 IonicContact OD2-NZ 2.98Å; D194-K202 PolarHBondContact OD2-NZ 3.23Å; Q197-K202 WeakPolarHBondContact O-CD 3.34Å; Q197-K202 WeakPolarHBondContact O-CE 3.37Å; Q197-K202 PolarHBondContact O-NZ 2.98Å; Q197-K202 VanDerWaalsContact O-NZ 3.11Å; Q198-K202 PolarHBondContact O-N 2.84Å; Q198-K202 VanDerWaalsContact O-N 3.1Å; Y199-K202 CarbonylContact O-C 3.52Å; Y199-K202 PolarHBondContact O-N 3.17Å
203	N	97.9	Very high	95.2	Very high	70 Å²	70	58.3 Å²	58.3	37%	0.374	32%	0.315	S	S	.	.			trans	-130.1	79.4	-177.4	-55.6	-82.6	0	0	0	110.7	Y199 L200 H201 Y205 G206	Y199-N203 WeakPolarHBondContact CD2-ND2 3.28Å; Y199-N203 HydrophobicContact CE1-CB 4.26Å; Y199-N203 HydrophobicContact CE2-CB 4.33Å; Y199-N203 WeakPolarHBondContact CE2-ND2 3.27Å; Y199-N203 WeakPolarHBondContact O-CA 3.29Å; Y199-N203 WeakPolarHBondContact O-CB 3.34Å; Y199-N203 PolarHBondContact O-N 3.26Å; Y199-N203 PolarHBondContact O-ND2 2.63Å; Y199-N203 VanDerWaalsContact O-ND2 3.15Å; L200-N203 CarbonylContact O-C 3.55Å; H201-N203 VanDerWaalsContact C-N 3.31Å; H201-N203 PolarHBondContact O-N 3.13Å; N203-Y205 PolarHBondContact O-N 3.48Å; N203-G206 PolarHBondContact O-N 2.8Å
204	P	94.9	Very high	95.2	Very high	85 Å²	85	60 Å²	60	55%	0.552	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-24.3	-173.5	-28.2	36.6	0	0	0	115.9	L200	L200-P204 WeakPolarHBondContact O-CA 3.47Å
205	Y	94.6	Very high	95.2	Very high	232 Å²	232	57.4 Å²	57.4	91%	0.91	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	14.9	176.8	-50.3	-68	0	0	0	112.9	N203	N203-Y205 PolarHBondContact O-N 3.48Å
206	G	94.4	Very high	95.2	Very high	21 Å²	21	55.6 Å²	55.6	22%	0.216	33%	0.327	C	S	.	.	S	Bend	trans	-67.2	168.4	178.8	0	0	0	0	0	112.8	N203 C208	N203-G206 PolarHBondContact O-N 2.8Å; G206-C208 PolarHBondContact O-N 2.89Å
207	Y	91.2	Very high	95.1	Very high	86 Å²	86	55.2 Å²	55.2	34%	0.337	33%	0.326	S	S	.	.			trans	-61.2	134.8	178.8	176.1	-101.4	0	0	0	111.8	C61 W63 D139	C61-Y207 HydrophobicContact CB-CE1 4.37Å; W63-Y207 HydrophobicContact CE3-CD1 4.38Å; W63-Y207 HydrophobicContact CZ3-CD1 4.36Å; D139-Y207 PolarHBondContact OD1-OH 2.8Å; D139-Y207 WeakPolarHBondContact OD2-CE1 3.45Å; D139-Y207 PolarHBondContact OD2-OH 2.77Å
208	C	91	Very high	95	Very high	44 Å²	44	57.6 Å²	57.6	30%	0.297	34%	0.341	S	S	.	.			trans	-149.1	98.4	178.3	-179.2	0	0	0	0	109.1	R67 L200 G206	R67-C208 PolarHBondContact NH2-SG 2.94Å; L200-C208 HydrophobicContact CD1-CB 3.88Å; L200-C208 HydrophobicContact CD2-CB 4.41Å; G206-C208 PolarHBondContact O-N 2.89Å
209	G	85.3	Confident	94.6	Very high	31 Å²	31	62.8 Å²	62.8	32%	0.32	38%	0.375	S	S	.	.			trans	-94.1	1.6	-178.9	0	0	0	0	0	115.5
210	I	90	Very high	94	Very high	41 Å²	41	66 Å²	66	21%	0.21	39%	0.392	C	S	.	.			trans	-69.1	136.3	-177.5	-164.7	170.4	0	0	0	111.7	M59 V65 L68 N127	M59-I210 HydrophobicContact CE-CD1 4.11Å; V65-I210 HydrophobicContact CB-CD1 4.19Å; V65-I210 HydrophobicContact CG2-CD1 3.74Å; L68-I210 HydrophobicContact CD2-CD1 4.1Å; N127-I210 WeakPolarHBondContact O-CG1 3.15Å
211	G	90.7	Very high	92.9	Very high	38 Å²	38	74 Å²	74	39%	0.392	46%	0.459	S	S	.	.			trans	-174.1	136.4	177.3	0	0	0	0	0	112	N127 H128	N127-G211 CarbonylContact O-C 3.28Å; N127-G211 PolarHBondContact O-N 2.91Å; H128-G211 CarbonylContact C-O 3.4Å; H128-G211 VanDerWaalsContact CA-O 3.3Å; H128-G211 WeakPolarHBondContact CA-O 3.43Å
212	G	94.6	Very high	92.6	Very high	38 Å²	38	73.1 Å²	73.1	39%	0.392	46%	0.461	S	S	.	.			trans	-78.2	170.5	178.5	0	0	0	0	0	114.2	E126 G214	E126-G212 WeakPolarHBondContact O-CA 3.21Å; G212-G214 VanDerWaalsContact C-N 3.33Å
213	I	96.9	Very high	92.4	Very high	47 Å²	47	72.8 Å²	72.8	24%	0.241	47%	0.467	C	S	.	.			trans	-89.6	7.3	177.6	58.7	168.9	0	0	0	113.7	D129 F166 M170 V215	D129-I213 HydrophobicContact CB-CG2 3.53Å; D129-I213 VanDerWaalsContact CG-CG2 3.43Å; F166-I213 HydrophobicContact CE1-CD1 4.09Å; F166-I213 HydrophobicContact CZ-CD1 4.33Å; F166-I213 HydrophobicContact CZ-CG1 4.42Å; M170-I213 HydrophobicContact CE-CD1 3.9Å; M170-I213 HydrophobicContact CG-CD1 3.81Å; M170-I213 HydrophobicContact SD-CD1 3.96Å; I213-V215 HydrophobicContact CD1-CB 4.25Å; I213-V215 HydrophobicContact CD1-CG2 3.91Å; I213-V215 HydrophobicContact CG1-CB 4.13Å; I213-V215 HydrophobicContact CG1-CG2 3.99Å
214	G	96.6	Very high	92.1	Very high	80 Å²	80	73 Å²	73	83%	0.825	47%	0.472	S	S	*	.	S	Bend	trans	79.3	13.9	-179.6	0	0	0	0	0	115	G212	G212-G214 VanDerWaalsContact C-N 3.33Å
215	V	97	Very high	91.9	Very high	15 Å²	15	72.3 Å²	72.3	9%	0.091	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-102.1	133.5	175.9	178.3	0	0	0	0	109.4	F166 A169 M170 A173 I213	F166-V215 HydrophobicContact CD2-CG1 4.32Å; F166-V215 HydrophobicContact CE2-CB 4.06Å; F166-V215 HydrophobicContact CE2-CG1 3.74Å; F166-V215 WeakPolarHBondContact CE2-O 3.39Å; F166-V215 HydrophobicContact CZ-CB 3.83Å; F166-V215 HydrophobicContact CZ-CG1 3.9Å; A169-V215 HydrophobicContact CB-CG1 3.64Å; M170-V215 HydrophobicContact CG-CG1 4.35Å; M170-V215 HydrophobicContact CG-CG2 4.4Å; A173-V215 HydrophobicContact CB-CG2 3.84Å; I213-V215 HydrophobicContact CD1-CB 4.25Å; I213-V215 HydrophobicContact CD1-CG2 3.91Å; I213-V215 HydrophobicContact CG1-CB 4.13Å; I213-V215 HydrophobicContact CG1-CG2 3.99Å
216	C	97.1	Very high	91.7	Very high	88 Å²	88	62.3 Å²	62.3	60%	0.595	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-92.4	145.2	174.1	-64.9	0	0	0	0	111.1	E126 P218	E126-C216 WeakPolarHBondContact OE1-CA 3.41Å; C216-P218 VanDerWaalsContact O-CD 3.32Å; C216-P218 WeakPolarHBondContact O-CD 3.47Å
217	L	96.9	Very high	91.5	Very high	15 Å²	15	65.1 Å²	65.1	8%	0.079	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-74.7	121.5	171	-178.5	71.9	0	0	0	109.1	Q122 W125 E126 S162 R165 F166	Q122-L217 HydrophobicContact CB-CD2 4.03Å; Q122-L217 HydrophobicContact CG-CB 4.23Å; W125-L217 HydrophobicContact CG-CD1 4.4Å; E126-L217 PolarHBondContact OE1-N 2.65Å; S162-L217 WeakPolarHBondContact O-CD1 3.34Å; R165-L217 HydrophobicContact CB-CD1 4.02Å; F166-L217 HydrophobicContact CB-CD1 3.83Å; F166-L217 HydrophobicContact CD2-CB 4.16Å; F166-L217 HydrophobicContact CD2-CD1 3.99Å; F166-L217 HydrophobicContact CG-CD1 4.41Å
218	P	94.8	Very high	91.6	Very high	50 Å²	50	63.6 Å²	63.6	33%	0.325	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-64.6	146.3	175	-21.2	33.8	0	0	0	111.7	R165 A169 C216	R165-P218 PolarHBondContact NH1-O 3.08Å; A169-P218 HydrophobicContact CB-CG 3.81Å; C216-P218 VanDerWaalsContact O-CD 3.32Å; C216-P218 WeakPolarHBondContact O-CD 3.47Å
219	P	90.5	Very high	91.6	Very high	113 Å²	113	65.1 Å²	65.1	73%	0.734	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-60	163.3	173.8	28.3	-35.3	0	0	0	111.3
220	E	85.2	Confident	92.1	Very high	114 Å²	114	67.9 Å²	67.9	53%	0.533	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-62.9	146.2	169	-67.9	-171.5	171.1	0	0	110.1	R165	R165-E220 VanDerWaalsContact CZ-CG 3.41Å; R165-E220 IonicContact CZ-OE1 3.89Å; R165-E220 VanDerWaalsContact NH1-N 3.18Å; R165-E220 IonicContact NH2-OE1 3.34Å; R165-E220 PolarHBondContact NH2-OE1 3.45Å
221	A	75.6	Confident	92.3	Very high	176 Å²	176	70.4 Å²	70.4	100%	1.455	51%	0.514	S	S	*	.			trans	-71.7	0	179.7	0	0	0	0	0	112.2

Retrieved 221 of 221 residues in 154.1 ms (Link to these results)

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