A0A3Q0KUL0_SCHMA Loading...

Aspartyl-tRNA synthetase, putative AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KUL0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 580 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	L	37.3	Very low	36.2	Very low	227 Å²	227	155.5 Å²	155.5	100%	1.188	82%	0.823	S	S	*	*				0	75.3	0	-76.5	157	0	0	0	107.9
2	T	35.6	Very low	36.2	Very low	143 Å²	143	149.4 Å²	149.4	88%	0.877	81%	0.812	S	S	*	*			trans	-91.3	123.9	178.7	23.8	0	0	0	0	108.6	S4	T2-S4 PolarHBondContact O-N 2.72Å; T2-S4 VanDerWaalsContact O-N 3.16Å
3	L	36.1	Very low	36.1	Very low	143 Å²	143	146.4 Å²	146.4	75%	0.749	81%	0.809	S	S	*	*			trans	-67.4	100.2	-165.9	-70.7	143.7	0	0	0	112	F5	L3-F5 VanDerWaalsContact C-N 3.28Å; L3-F5 HydrophobicContact CB-CD2 4.12Å; L3-F5 HydrophobicContact CD2-CD2 3.54Å; L3-F5 HydrophobicContact CD2-CE2 3.31Å; L3-F5 HydrophobicContact CG-CD2 4.46Å; L3-F5 PolarHBondContact O-N 2.92Å
4	S	38.4	Very low	36.5	Very low	116 Å²	116	145.6 Å²	145.6	81%	0.811	81%	0.81	S	S	*	*			trans	-84.1	70.4	163.6	65.8	0	0	0	0	110	T2 L6	T2-S4 PolarHBondContact O-N 2.72Å; T2-S4 VanDerWaalsContact O-N 3.16Å; S4-L6 PolarHBondContact O-N 3.04Å
5	F	35.5	Very low	36.7	Very low	166 Å²	166	140.8 Å²	140.8	73%	0.728	79%	0.79	S	S	*	*			trans	-88.2	61.5	166.1	-81.7	-73.1	0	0	0	110	L3 S7	L3-F5 VanDerWaalsContact C-N 3.28Å; L3-F5 HydrophobicContact CB-CD2 4.12Å; L3-F5 HydrophobicContact CD2-CD2 3.54Å; L3-F5 HydrophobicContact CD2-CE2 3.31Å; L3-F5 HydrophobicContact CG-CD2 4.46Å; L3-F5 PolarHBondContact O-N 2.92Å; F5-S7 PolarHBondContact O-N 3.34Å
6	L	37.8	Very low	37.8	Very low	164 Å²	164	137.8 Å²	137.8	86%	0.859	78%	0.781	S	S	*	*			trans	-92.4	71	149.3	-80.4	163.1	0	0	0	105.7	S4 F8	S4-L6 PolarHBondContact O-N 3.04Å; L6-F8 PolarHBondContact O-N 3.35Å; L6-F8 VanDerWaalsContact O-N 3.08Å
7	S	35.9	Very low	38.8	Very low	88 Å²	88	135.1 Å²	135.1	62%	0.615	76%	0.763	S	S	*	*			trans	-56.3	115.4	167.4	50.4	0	0	0	0	107.1	F5 I9	F5-S7 PolarHBondContact O-N 3.34Å; S7-I9 PolarHBondContact O-N 2.98Å
8	F	35.4	Very low	39.8	Very low	200 Å²	200	129.3 Å²	129.3	88%	0.877	73%	0.732	S	S	*	*			trans	-38	102.1	160	-80.2	-103.6	0	0	0	108.6	L6 P10	L6-F8 PolarHBondContact O-N 3.35Å; L6-F8 VanDerWaalsContact O-N 3.08Å; F8-P10 WeakPolarHBondContact O-CD 3.44Å
9	I	36	Very low	41.4	Very low	153 Å²	153	125.8 Å²	125.8	79%	0.785	72%	0.721	S	S	*	*			trans	-69.9	109.2	154.1	-61.1	176.1	0	0	0	102.3	S7 K11	S7-I9 PolarHBondContact O-N 2.98Å; I9-K11 PolarHBondContact O-N 3.19Å
10	P	35.3	Very low	43.3	Very low	103 Å²	103	130.2 Å²	130.2	67%	0.669	73%	0.732	S	S	*	*			trans	-55.9	131.8	174.9	3.3	4.4	0	0	0	106.1	F8 A12	F8-P10 WeakPolarHBondContact O-CD 3.44Å; P10-A12 PolarHBondContact O-N 3.29Å
11	K	34.8	Very low	45.3	Very low	207 Å²	207	127.6 Å²	127.6	90%	0.9	72%	0.719	S	S	*	*			trans	-50.6	102.3	166.8	-79.3	-179.5	177.9	177.8	0	105.3	I9 S13	I9-K11 PolarHBondContact O-N 3.19Å; K11-S13 PolarHBondContact O-N 2.95Å
12	A	35.9	Very low	47.5	Very low	83 Å²	83	124 Å²	124	69%	0.686	69%	0.69	S	S	*	*			trans	-55.3	114.6	169.6	0	0	0	0	0	103.8	P10 V14	P10-A12 PolarHBondContact O-N 3.29Å; A12-V14 PolarHBondContact O-N 3.17Å
13	S	34.9	Very low	49.9	Very low	110 Å²	110	118.7 Å²	118.7	77%	0.769	66%	0.655	S	S	*	*			trans	-53.6	106.7	160.8	52	0	0	0	0	103.6	K11 S15	K11-S13 PolarHBondContact O-N 2.95Å; S13-S15 VanDerWaalsContact C-N 3.33Å; S13-S15 PolarHBondContact O-N 3.18Å
14	V	42.1	Very low	52.5	Low	136 Å²	136	113.8 Å²	113.8	82%	0.824	63%	0.633	S	S	*	*			trans	-51.9	109.2	173.8	175.9	0	0	0	0	104.4	A12 S16	A12-V14 PolarHBondContact O-N 3.17Å; V14-S16 PolarHBondContact O-N 2.8Å; V14-S16 VanDerWaalsContact O-N 3.13Å
15	S	40.1	Very low	55.1	Low	73 Å²	73	109.7 Å²	109.7	51%	0.51	60%	0.601	S	S	.	*			trans	-56	126.1	179.5	56.1	0	0	0	0	106.2	S13 L17	S13-S15 VanDerWaalsContact C-N 3.33Å; S13-S15 PolarHBondContact O-N 3.18Å; S15-L17 PolarHBondContact O-N 3.36Å
16	S	53.9	Low	57.7	Low	92 Å²	92	101.8 Å²	101.8	64%	0.643	57%	0.566	S	S	*	*	S	Bend	trans	-62.4	-7.7	175.1	52.7	0	0	0	0	112.5	V14	V14-S16 PolarHBondContact O-N 2.8Å; V14-S16 VanDerWaalsContact O-N 3.13Å
17	L	55.3	Low	60.4	Low	93 Å²	93	94 Å²	94	49%	0.487	53%	0.525	S	S	.	.	S	Bend	trans	-70.6	129.8	172	-70.7	165.9	0	0	0	110.3	S15 A19 S24	S15-L17 PolarHBondContact O-N 3.36Å; L17-A19 PolarHBondContact O-N 3.34Å; L17-S24 WeakPolarHBondContact CD2-O 2.83Å
18	P	56.3	Low	63	Low	31 Å²	31	91 Å²	91	20%	0.201	51%	0.508	C	S	.	.			trans	-57.4	102.2	170.9	-24.2	34.9	0	0	0	110.9	V21 K23	P18-V21 HydrophobicContact CB-CG2 3.17Å; P18-V21 HydrophobicContact CG-CG2 4.37Å; P18-V21 WeakPolarHBondContact O-CG2 3.03Å; P18-K23 HydrophobicContact CB-CG 4.35Å; P18-K23 HydrophobicContact CG-CG 4.36Å
19	A	69.5	Low	65.6	Low	62 Å²	62	84.3 Å²	84.3	51%	0.512	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	149.2	169.1	0	0	0	0	0	109.9	L17 V21	L17-A19 PolarHBondContact O-N 3.34Å; A19-V21 PolarHBondContact O-N 2.88Å
20	F	81	Confident	68.3	Low	214 Å²	214	77.3 Å²	77.3	94%	0.939	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	30.3	174.3	-47	-76.5	0	0	0	115.9
21	V	84.5	Confident	71.1	Confident	76 Å²	76	74.2 Å²	74.2	46%	0.461	43%	0.425	S	S	.	.	S	Bend	trans	-139.6	160.4	174.9	-63.4	0	0	0	0	112	P18 A19 K23	P18-V21 HydrophobicContact CB-CG2 3.17Å; P18-V21 HydrophobicContact CG-CG2 4.37Å; P18-V21 WeakPolarHBondContact O-CG2 3.03Å; A19-V21 PolarHBondContact O-N 2.88Å; V21-K23 HydrophobicContact CB-CG 4.22Å; V21-K23 HydrophobicContact CG2-CG 3.59Å
22	Y	82.6	Confident	74	Confident	150 Å²	150	67.7 Å²	67.7	59%	0.588	40%	0.403	S	S	*	.	S	Bend	trans	-82.5	-13.6	177.3	53.7	-91.3	0	0	0	113.8	C42 L117	Y22-C42 HydrophobicContact CE2-CB 4.07Å; Y22-C42 WeakPolarHBondContact CE2-SG 3.41Å; Y22-L117 HydrophobicContact CE2-CD1 4.17Å
23	K	87.9	Confident	76.8	Confident	32 Å²	32	70.8 Å²	70.8	14%	0.139	40%	0.403	C	S	.	.			trans	-75.4	136.2	170.8	65.9	179.5	-173.2	-179.1	0	109.2	P18 V21 T40 C42 D59 D60	P18-K23 HydrophobicContact CB-CG 4.35Å; P18-K23 HydrophobicContact CG-CG 4.36Å; V21-K23 HydrophobicContact CB-CG 4.22Å; V21-K23 HydrophobicContact CG2-CG 3.59Å; K23-T40 CarbonylContact C-O 3.57Å; K23-T40 WeakPolarHBondContact CA-O 3.49Å; K23-C42 HydrophobicContact CB-CB 4.45Å; K23-D59 IonicContact NZ-OD2 2.73Å; K23-D59 PolarHBondContact NZ-OD2 3.49Å; K23-D60 IonicContact NZ-OD1 3.91Å; K23-D60 PolarHBondContact NZ-OD1 2.87Å
24	S	90.2	Very high	79.7	Confident	40 Å²	40	66.7 Å²	66.7	28%	0.28	37%	0.371	S	S	.	.	S	Bend	trans	-76.9	-29.3	177	68.5	0	0	0	0	112.3	L17 V39 T40	L17-S24 WeakPolarHBondContact CD2-O 2.83Å; S24-V39 WeakPolarHBondContact OG-CA 3.27Å; S24-T40 PolarHBondContact N-O 2.79Å; S24-T40 PolarHBondContact OG-N 2.84Å; S24-T40 PolarHBondContact OG-O 2.59Å
25	H	91.9	Very high	82.3	Confident	30 Å²	30	62.9 Å²	62.9	14%	0.139	35%	0.346	C	S	.	.	S	Bend	trans	-145.5	154.3	178.4	-59	76.3	0	0	0	109.6	L30 H34	H25-L30 HydrophobicContact CB-CD2 3.82Å; H25-L30 HydrophobicContact CB-CG 4.18Å; H25-H34 AromaticContact NE2-CD2 3.86Å; H25-H34 AromaticContact NE2-NE2 3.98Å
26	A	91.5	Very high	84.9	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.008	36%	0.356	C	S	.	.			trans	-75.2	154.8	164.6	0	0	0	0	0	111	G28 E29 D59 R61	A26-G28 VanDerWaalsContact C-N 3.26Å; A26-G28 PolarHBondContact O-N 2.82Å; A26-E29 HydrophobicContact CB-CB 4.39Å; A26-E29 VanDerWaalsContact CB-CD 3.4Å; A26-E29 HydrophobicContact CB-CG 3.91Å; A26-E29 VanDerWaalsContact CB-OE2 3.27Å; A26-E29 WeakPolarHBondContact CB-OE2 3.45Å; A26-E29 PolarHBondContact N-OE2 2.88Å; A26-E29 PolarHBondContact O-N 3.31Å; A26-E29 VanDerWaalsContact O-N 3.11Å; A26-D59 VanDerWaalsContact CA-OD2 3.26Å; A26-D59 WeakPolarHBondContact CA-OD2 3.43Å; A26-D59 WeakPolarHBondContact CB-OD2 3.49Å; A26-R61 HydrophobicContact CB-CB 3.61Å; A26-R61 HydrophobicContact CB-CG 3.44Å; A26-R61 VanDerWaalsContact CB-CG 3.44Å
27	C	92.8	Very high	86.9	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-58.6	-39.4	-175.5	-65.6	0	0	0	0	111.9	D59 G62 I64	C27-D59 HydrophobicContact CB-CB 4.27Å; C27-D59 WeakPolarHBondContact CB-OD1 3.29Å; C27-D59 VanDerWaalsContact N-CG 3.34Å; C27-D59 PolarHBondContact N-OD1 2.8Å; C27-D59 PolarHBondContact N-OD2 2.83Å; C27-G62 WeakPolarHBondContact CB-O 3.47Å; C27-I64 HydrophobicContact CB-CB 4.1Å; C27-I64 HydrophobicContact CB-CG2 3.69Å
28	G	90.5	Very high	88.9	Confident	25 Å²	25	63.1 Å²	63.1	26%	0.258	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-81.8	-5.1	179.7	0	0	0	0	0	116.3	A26	A26-G28 VanDerWaalsContact C-N 3.26Å; A26-G28 PolarHBondContact O-N 2.82Å
29	E	90.7	Very high	90.8	Very high	60 Å²	60	61.7 Å²	61.7	28%	0.28	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-91.1	-14	-176.1	-73.8	166.7	179	0	0	113.3	A26 H34	A26-E29 HydrophobicContact CB-CB 4.39Å; A26-E29 VanDerWaalsContact CB-CD 3.4Å; A26-E29 HydrophobicContact CB-CG 3.91Å; A26-E29 VanDerWaalsContact CB-OE2 3.27Å; A26-E29 WeakPolarHBondContact CB-OE2 3.45Å; A26-E29 PolarHBondContact N-OE2 2.88Å; A26-E29 PolarHBondContact O-N 3.31Å; A26-E29 VanDerWaalsContact O-N 3.11Å; E29-H34 PolarHBondContact O-CE1 3.28Å
30	L	93.5	Very high	92.1	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.026	32%	0.316	C	S	.	.			trans	-74.4	149.2	-179.8	-64.6	171.5	0	0	0	111.3	H25 H34 V39 V41 I64 V90 T104 I107 I109	H25-L30 HydrophobicContact CB-CD2 3.82Å; H25-L30 HydrophobicContact CB-CG 4.18Å; L30-H34 HydrophobicContact CD2-CB 4.13Å; L30-V39 HydrophobicContact CD1-CG2 4.16Å; L30-V39 HydrophobicContact CD2-CG1 3.99Å; L30-V41 HydrophobicContact CD1-CG1 3.93Å; L30-I64 HydrophobicContact CB-CD1 4.39Å; L30-I64 HydrophobicContact CD1-CD1 4.19Å; L30-I64 HydrophobicContact CD1-CG1 4.11Å; L30-V90 HydrophobicContact CD2-CG2 4.38Å; L30-T104 WeakPolarHBondContact O-CG2 3.48Å; L30-I107 HydrophobicContact CB-CD1 3.56Å; L30-I109 HydrophobicContact CD1-CD1 3.73Å; L30-I109 HydrophobicContact CD1-CG1 4.25Å
31	S	94.1	Very high	92.7	Very high	39 Å²	39	50 Å²	50	27%	0.273	27%	0.272	S	S	.	.			trans	-158.1	177.8	-177.5	69.8	0	0	0	0	109.7	Q33 H34	S31-Q33 PolarHBondContact O-N 3.18Å; S31-Q33 VanDerWaalsContact O-N 3.11Å; S31-Q33 VanDerWaalsContact OG-CG 3.26Å; S31-Q33 WeakPolarHBondContact OG-CG 3.25Å; S31-H34 PolarHBondContact N-ND1 3.25Å; S31-H34 WeakPolarHBondContact O-CB 3.24Å; S31-H34 PolarHBondContact O-N 3.15Å; S31-H34 PolarHBondContact O-ND1 2.87Å; S31-H34 PolarHBondContact OG-ND1 3.1Å
32	T	94	Very high	93.3	Very high	70 Å²	70	46.9 Å²	46.9	43%	0.429	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-57.2	-24.8	-179.9	50.3	0	0	0	0	113.9	H34 I35 E106 I107	T32-H34 PolarHBondContact O-N 3.11Å; T32-H34 VanDerWaalsContact O-N 3.15Å; T32-I35 HydrophobicContact CG2-CD1 4.31Å; T32-I35 WeakPolarHBondContact O-CB 3.39Å; T32-I35 WeakPolarHBondContact O-CD1 3.35Å; T32-I35 VanDerWaalsContact O-CG1 3.23Å; T32-I35 WeakPolarHBondContact O-CG1 3.47Å; T32-I35 PolarHBondContact O-N 3.05Å; T32-E106 HydrophobicContact CG2-CB 4.16Å; T32-E106 WeakPolarHBondContact CG2-OE2 3.42Å; T32-I107 HydrophobicContact CG2-CG2 3.97Å
33	Q	95.3	Very high	93.9	Very high	148 Å²	148	40 Å²	40	69%	0.692	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-63.9	-18.4	175.2	81.4	-163.6	4.6	0	0	113.4	S31	S31-Q33 PolarHBondContact O-N 3.18Å; S31-Q33 VanDerWaalsContact O-N 3.11Å; S31-Q33 VanDerWaalsContact OG-CG 3.26Å; S31-Q33 WeakPolarHBondContact OG-CG 3.25Å
34	H	95.7	Very high	94.2	Very high	24 Å²	24	42 Å²	42	11%	0.111	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-95.7	-0.1	-178.3	-53.4	97.8	0	0	0	112.8	H25 E29 L30 S31 T32 N36 S37 V90	H25-H34 AromaticContact NE2-CD2 3.86Å; H25-H34 AromaticContact NE2-NE2 3.98Å; E29-H34 PolarHBondContact O-CE1 3.28Å; L30-H34 HydrophobicContact CD2-CB 4.13Å; S31-H34 PolarHBondContact N-ND1 3.25Å; S31-H34 WeakPolarHBondContact O-CB 3.24Å; S31-H34 PolarHBondContact O-N 3.15Å; S31-H34 PolarHBondContact O-ND1 2.87Å; S31-H34 PolarHBondContact OG-ND1 3.1Å; T32-H34 PolarHBondContact O-N 3.11Å; T32-H34 VanDerWaalsContact O-N 3.15Å; H34-N36 PolarHBondContact O-N 2.85Å; H34-S37 WeakPolarHBondContact O-CB 3.43Å; H34-S37 PolarHBondContact O-N 3.28Å; H34-S37 PolarHBondContact O-OG 3.48Å; H34-V90 HydrophobicContact CB-CG1 4.39Å; H34-V90 HydrophobicContact CB-CG2 4.26Å; H34-V90 WeakPolarHBondContact O-CB 3.44Å
35	I	96.4	Very high	94.5	Very high	56 Å²	56	40.2 Å²	40.2	29%	0.287	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	140.1	178.8	-70.2	167.6	0	0	0	110.3	T32 S37 V90 A92 I107	T32-I35 HydrophobicContact CG2-CD1 4.31Å; T32-I35 WeakPolarHBondContact O-CB 3.39Å; T32-I35 WeakPolarHBondContact O-CD1 3.35Å; T32-I35 VanDerWaalsContact O-CG1 3.23Å; T32-I35 WeakPolarHBondContact O-CG1 3.47Å; T32-I35 PolarHBondContact O-N 3.05Å; I35-S37 PolarHBondContact O-N 2.85Å; I35-V90 HydrophobicContact CG1-CG1 4.43Å; I35-A92 HydrophobicContact CD1-CB 4.01Å; I35-I107 HydrophobicContact CD1-CG2 4.47Å; I35-I107 HydrophobicContact CG1-CG2 4.26Å
36	N	95.4	Very high	94.5	Very high	134 Å²	134	40.8 Å²	40.8	72%	0.717	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	-4.1	-172.8	-54.7	-46.2	0	0	0	116.1	H34 V90	H34-N36 PolarHBondContact O-N 2.85Å; N36-V90 PolarHBondContact N-O 3.33Å
37	S	96.4	Very high	94.3	Very high	50 Å²	50	45.1 Å²	45.1	35%	0.35	24%	0.244	S	C	.	.			trans	-77.3	137.1	174.2	-49.5	0	0	0	0	110.7	H34 I35 K89 V90	H34-S37 WeakPolarHBondContact O-CB 3.43Å; H34-S37 PolarHBondContact O-N 3.28Å; H34-S37 PolarHBondContact O-OG 3.48Å; I35-S37 PolarHBondContact O-N 2.85Å; S37-K89 WeakPolarHBondContact O-CA 3.45Å; S37-V90 PolarHBondContact O-N 3.24Å
38	T	96.8	Very high	93.9	Very high	79 Å²	79	47.2 Å²	47.2	49%	0.485	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123	166.4	-61.5	0	0	0	0	109	T87 G88	T38-T87 HydrophobicContact CG2-CG2 3.96Å; T38-G88 CarbonylContact C-O 3.57Å; T38-G88 WeakPolarHBondContact CA-O 3.25Å
39	V	96.1	Very high	93.3	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152.9	-177.8	-59.9	0	0	0	0	110.6	S24 L30 T87 G88 V90 I109	S24-V39 WeakPolarHBondContact OG-CA 3.27Å; L30-V39 HydrophobicContact CD1-CG2 4.16Å; L30-V39 HydrophobicContact CD2-CG1 3.99Å; V39-T87 VanDerWaalsContact O-CA 3.31Å; V39-T87 WeakPolarHBondContact O-CA 3.32Å; V39-G88 PolarHBondContact N-O 3.12Å; V39-G88 PolarHBondContact O-N 2.88Å; V39-V90 HydrophobicContact CB-CG2 4.37Å; V39-V90 HydrophobicContact CG1-CG2 3.79Å; V39-V90 HydrophobicContact CG2-CG2 3.61Å; V39-I109 HydrophobicContact CG2-CD1 3.65Å; V39-I109 HydrophobicContact CG2-CG1 3.91Å; V39-I109 HydrophobicContact CG2-CG2 4.35Å
40	T	95.9	Very high	91.8	Very high	29 Å²	29	56.7 Å²	56.7	18%	0.178	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.8	170.5	-62.9	0	0	0	0	108.2	K23 S24 R85 V86 T87	K23-T40 CarbonylContact C-O 3.57Å; K23-T40 WeakPolarHBondContact CA-O 3.49Å; S24-T40 PolarHBondContact N-O 2.79Å; S24-T40 PolarHBondContact OG-N 2.84Å; S24-T40 PolarHBondContact OG-O 2.59Å; T40-R85 HydrophobicContact CG2-CG 4.04Å; T40-V86 CarbonylContact C-O 3.49Å; T40-V86 VanDerWaalsContact CA-O 3.3Å; T40-V86 WeakPolarHBondContact CA-O 3.49Å; T40-T87 WeakPolarHBondContact OG1-CG2 3.44Å; T40-T87 PolarHBondContact OG1-OG1 3.34Å
41	V	95.6	Very high	90.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.1	178.9	-63.7	0	0	0	0	110.2	L30 L57 I64 I66 V86 I109	L30-V41 HydrophobicContact CD1-CG1 3.93Å; V41-L57 HydrophobicContact CB-CD2 4.45Å; V41-L57 HydrophobicContact CG2-CD2 3.9Å; V41-I64 HydrophobicContact CG2-CG2 4.28Å; V41-I66 HydrophobicContact CG2-CD1 4.07Å; V41-V86 HydrophobicContact CG2-CB 4.08Å; V41-V86 PolarHBondContact N-O 2.93Å; V41-V86 PolarHBondContact O-N 2.84Å; V41-I109 HydrophobicContact CB-CD1 4.34Å; V41-I109 HydrophobicContact CG1-CD1 3.77Å; V41-I109 HydrophobicContact CG2-CD1 3.58Å
42	C	95.6	Very high	89.2	Confident	12 Å²	12	60.4 Å²	60.4	8%	0.081	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.3	-179	-60	0	0	0	0	109.8	Y22 K23 L84	Y22-C42 HydrophobicContact CE2-CB 4.07Å; Y22-C42 WeakPolarHBondContact CE2-SG 3.41Å; K23-C42 HydrophobicContact CB-CB 4.45Å; C42-L84 VanDerWaalsContact CA-O 3.27Å; C42-L84 WeakPolarHBondContact CA-O 3.39Å
43	G	95.2	Very high	88.7	Confident	5 Å²	5	62.2 Å²	62.2	5%	0.052	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.5	-174.1	-177.1	0	0	0	0	0	113.6	L57 R58 V83 L84	G43-L57 WeakPolarHBondContact O-CD1 3.41Å; G43-R58 CarbonylContact C-O 3.55Å; G43-R58 VanDerWaalsContact CA-O 3.24Å; G43-R58 WeakPolarHBondContact CA-O 3.35Å; G43-V83 CarbonylContact O-C 3.56Å; G43-V83 VanDerWaalsContact O-CA 3.32Å; G43-V83 WeakPolarHBondContact O-CA 2.97Å; G43-L84 PolarHBondContact N-O 3.07Å; G43-L84 VanDerWaalsContact N-O 3.09Å; G43-L84 PolarHBondContact O-N 2.87Å
44	W	95.6	Very high	88.5	Confident	73 Å²	73	58.2 Å²	58.2	28%	0.277	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	134.6	175.1	-65	-88.9	0	0	0	110.5	E46 R58 S82 V83	W44-E46 PolarHBondContact O-N 2.77Å; W44-R58 PolarHBondContact N-O 3.27Å; W44-R58 PolarHBondContact O-N 3.29Å; W44-S82 WeakPolarHBondContact CA-O 3.23Å; W44-V83 HydrophobicContact CG-CG2 4.49Å
45	L	94.5	Very high	88.4	Confident	3 Å²	3	57 Å²	57	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	98.6	172.3	179	70.5	0	0	0	110	F47 C48 L55 F78 E81 S82 L84	L45-F47 WeakPolarHBondContact CD1-O 3.42Å; L45-C48 HydrophobicContact CD2-CB 4.44Å; L45-L55 HydrophobicContact CD1-CB 3.73Å; L45-L55 HydrophobicContact CD1-CD2 4.2Å; L45-L55 HydrophobicContact CD1-CG 4.36Å; L45-F78 HydrophobicContact CD1-CE2 4.46Å; L45-F78 HydrophobicContact CD2-CB 4.43Å; L45-F78 HydrophobicContact CD2-CD2 3.04Å; L45-F78 HydrophobicContact CD2-CE2 3.34Å; L45-F78 HydrophobicContact CD2-CG 3.86Å; L45-F78 HydrophobicContact CD2-CZ 4.35Å; L45-F78 HydrophobicContact CG-CD2 4.46Å; L45-E81 WeakPolarHBondContact O-CA 3.46Å; L45-E81 PolarHBondContact O-N 3.14Å; L45-S82 PolarHBondContact N-O 2.72Å; L45-L84 HydrophobicContact CB-CD1 4.06Å; L45-L84 HydrophobicContact CB-CG 4.45Å; L45-L84 HydrophobicContact CD1-CD1 4.13Å; L45-L84 HydrophobicContact CG-CD1 4.49Å
46	E	92.6	Very high	88.3	Confident	42 Å²	42	55.3 Å²	55.3	20%	0.196	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-38.2	178.7	-177.4	173.2	-142	0	0	111.4	W44 V56 R58 L63	W44-E46 PolarHBondContact O-N 2.77Å; E46-V56 PolarHBondContact N-O 2.82Å; E46-R58 HydrophobicContact CB-CB 4.09Å; E46-L63 WeakPolarHBondContact OE2-CD2 3.32Å
47	F	87.5	Confident	88.3	Confident	93 Å²	93	49 Å²	49	41%	0.408	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	148.1	-176.8	-169.7	-126.1	0	0	0	113.1	L45 R49 L55 V56	L45-F47 WeakPolarHBondContact CD1-O 3.42Å; F47-R49 HydrophobicContact CD1-CG 3.64Å; F47-R49 HydrophobicContact CE1-CB 4.28Å; F47-R49 HydrophobicContact CE1-CG 3.05Å; F47-R49 HydrophobicContact CZ-CG 3.86Å; F47-L55 CarbonylContact O-C 3.58Å; F47-L55 WeakPolarHBondContact O-CA 3.45Å; F47-V56 HydrophobicContact CB-CB 4.2Å; F47-V56 HydrophobicContact CB-CG2 4.38Å; F47-V56 PolarHBondContact N-O 2.82Å; F47-V56 PolarHBondContact O-N 3.44Å
48	C	84.1	Confident	88.2	Confident	44 Å²	44	47.7 Å²	47.7	30%	0.297	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	116.8	173.9	178	0	0	0	0	108.4	L45 L55 F78	L45-C48 HydrophobicContact CD2-CB 4.44Å; C48-L55 HydrophobicContact CB-CD2 3.96Å; C48-L55 WeakPolarHBondContact SG-CD2 3.44Å; C48-F78 HydrophobicContact CB-CE2 4.31Å
49	R	79.3	Confident	88	Confident	132 Å²	132	44.6 Å²	44.6	50%	0.498	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	146.8	176	-71.7	-179.6	-177.7	-172.3	-4.8	111	F47 S52 F54	F47-R49 HydrophobicContact CD1-CG 3.64Å; F47-R49 HydrophobicContact CE1-CB 4.28Å; F47-R49 HydrophobicContact CE1-CG 3.05Å; F47-R49 HydrophobicContact CZ-CG 3.86Å; R49-S52 PolarHBondContact O-N 2.76Å; R49-F54 HydrophobicContact CB-CB 4.25Å; R49-F54 PolarHBondContact N-O 2.93Å
50	L	58.4	Low	87.5	Confident	151 Å²	151	47.5 Å²	47.5	79%	0.791	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	28.6	100.9	160.8	-76.4	163.7	0	0	0	115.2	S52 R53	L50-S52 PolarHBondContact O-N 2.78Å; L50-R53 PolarHBondContact O-N 2.82Å
51	S	65.2	Low	87.1	Confident	80 Å²	80	53.2 Å²	53.2	56%	0.559	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	55.5	24	172.1	74.9	0	0	0	0	114.6	K70	S51-K70 WeakPolarHBondContact O-CE 3.35Å; S51-K70 PolarHBondContact O-NZ 3.5Å; S51-K70 PolarHBondContact OG-NZ 2.75Å
52	S	67.6	Low	86.9	Confident	42 Å²	42	54.3 Å²	54.3	29%	0.294	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	72.4	17.7	177.6	-39.9	0	0	0	0	117	R49 L50 I75	R49-S52 PolarHBondContact O-N 2.76Å; L50-S52 PolarHBondContact O-N 2.78Å; S52-I75 WeakPolarHBondContact O-CD1 3.47Å
53	R	83.9	Confident	86.9	Confident	108 Å²	108	56.1 Å²	56.1	41%	0.408	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-32.5	179.6	-73.4	-164.1	175.9	-175	0.1	114.8	L50 C68 K70	L50-R53 PolarHBondContact O-N 2.82Å; R53-C68 PolarHBondContact O-N 3.08Å; R53-K70 HydrophobicContact CG-CD 4.31Å; R53-K70 HydrophobicContact CG-CG 4.23Å
54	F	90.5	Very high	86.9	Confident	64 Å²	64	55.9 Å²	55.9	28%	0.281	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121	-177.9	-61.1	-86.4	0	0	0	109.9	R49 Q65 I66 Y67	R49-F54 HydrophobicContact CB-CB 4.25Å; R49-F54 PolarHBondContact N-O 2.93Å; F54-Q65 HydrophobicContact CD1-CG 4.37Å; F54-I66 WeakPolarHBondContact CA-O 3.47Å; F54-Y67 AromaticContact CD1-CD2 3.84Å; F54-Y67 HydrophobicContact CD1-CD2 3.84Å; F54-Y67 AromaticContact CE1-CD2 3.34Å; F54-Y67 HydrophobicContact CE1-CD2 3.34Å; F54-Y67 AromaticContact CE1-CE2 3.98Å; F54-Y67 HydrophobicContact CE1-CE2 3.98Å; F54-Y67 HydrophobicContact CE1-CG 4.27Å; F54-Y67 AromaticContact CZ-CD2 3.75Å; F54-Y67 HydrophobicContact CZ-CD2 3.75Å; F54-Y67 AromaticContact CZ-CE2 3.9Å; F54-Y67 HydrophobicContact CZ-CE2 3.9Å
55	L	93.4	Very high	86.9	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.6	176.8	-43	177.9	0	0	0	108.9	L45 F47 C48 Q65 I66 F78 L84 I114	L45-L55 HydrophobicContact CD1-CB 3.73Å; L45-L55 HydrophobicContact CD1-CD2 4.2Å; L45-L55 HydrophobicContact CD1-CG 4.36Å; F47-L55 CarbonylContact O-C 3.58Å; F47-L55 WeakPolarHBondContact O-CA 3.45Å; C48-L55 HydrophobicContact CB-CD2 3.96Å; C48-L55 WeakPolarHBondContact SG-CD2 3.44Å; L55-Q65 CarbonylContact O-C 3.54Å; L55-Q65 WeakPolarHBondContact O-CA 3.35Å; L55-I66 HydrophobicContact CB-CB 4.07Å; L55-I66 HydrophobicContact CB-CG1 4.47Å; L55-I66 PolarHBondContact N-O 3.03Å; L55-I66 PolarHBondContact O-N 2.85Å; L55-F78 HydrophobicContact CD1-CE1 4.04Å; L55-F78 HydrophobicContact CD1-CE2 4.47Å; L55-F78 HydrophobicContact CD1-CZ 3.6Å; L55-F78 HydrophobicContact CD2-CE2 3.78Å; L55-F78 HydrophobicContact CD2-CZ 3.48Å; L55-F78 VanDerWaalsContact CD2-CZ 3.48Å; L55-F78 HydrophobicContact CG-CZ 4.2Å; L55-L84 HydrophobicContact CD1-CD1 4.34Å; L55-I114 HydrophobicContact CD1-CD1 4.04Å
56	V	94.4	Very high	86.9	Confident	19 Å²	19	52.9 Å²	52.9	12%	0.115	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	113.9	168.3	-178.5	0	0	0	0	107	E46 F47 L63 I64	E46-V56 PolarHBondContact N-O 2.82Å; F47-V56 HydrophobicContact CB-CB 4.2Å; F47-V56 HydrophobicContact CB-CG2 4.38Å; F47-V56 PolarHBondContact N-O 2.82Å; F47-V56 PolarHBondContact O-N 3.44Å; V56-L63 HydrophobicContact CG1-CB 4.27Å; V56-L63 HydrophobicContact CG1-CD2 4.28Å; V56-I64 WeakPolarHBondContact CA-O 3.34Å
57	L	95.3	Very high	87	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.1	175.7	-158.3	70.6	0	0	0	108.9	V41 G43 L63 I64 I66 L84 V86	V41-L57 HydrophobicContact CB-CD2 4.45Å; V41-L57 HydrophobicContact CG2-CD2 3.9Å; G43-L57 WeakPolarHBondContact O-CD1 3.41Å; L57-L63 CarbonylContact O-C 3.57Å; L57-L63 WeakPolarHBondContact O-CA 3.42Å; L57-I64 HydrophobicContact CB-CG2 4.01Å; L57-I64 PolarHBondContact N-O 2.89Å; L57-I64 PolarHBondContact O-N 2.87Å; L57-I66 HydrophobicContact CB-CG1 4.32Å; L57-L84 HydrophobicContact CD1-CB 3.87Å; L57-L84 HydrophobicContact CD1-CD1 4.19Å; L57-L84 HydrophobicContact CD1-CG 4.23Å; L57-V86 HydrophobicContact CD2-CG2 4.4Å
58	R	94.2	Very high	87.2	Confident	24 Å²	24	49.1 Å²	49.1	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	132	179.8	179.1	175.1	66.5	117.5	7.3	109.5	G43 W44 E46 G62 L63 E81 R147	G43-R58 CarbonylContact C-O 3.55Å; G43-R58 VanDerWaalsContact CA-O 3.24Å; G43-R58 WeakPolarHBondContact CA-O 3.35Å; W44-R58 PolarHBondContact N-O 3.27Å; W44-R58 PolarHBondContact O-N 3.29Å; E46-R58 HydrophobicContact CB-CB 4.09Å; R58-G62 WeakPolarHBondContact CA-O 3.48Å; R58-L63 HydrophobicContact CB-CD2 3.42Å; R58-L63 VanDerWaalsContact CB-CD2 3.42Å; R58-L63 HydrophobicContact CG-CD2 3.49Å; R58-L63 VanDerWaalsContact CG-CD2 3.49Å; R58-E81 IonicContact CZ-OE1 3.71Å; R58-E81 IonicContact NE-OE1 3.57Å; R58-E81 VanDerWaalsContact NH2-CD 3.29Å; R58-E81 IonicContact NH2-OE1 2.65Å; R58-E81 PolarHBondContact NH2-OE1 3.37Å; R58-E81 IonicContact NH2-OE2 3.04Å; R58-E81 PolarHBondContact NH2-OE2 3.36Å; R58-R147 PolarHBondContact NH1-O 3.04Å
59	D	92.4	Very high	87.4	Confident	14 Å²	14	49.2 Å²	49.2	8%	0.075	24%	0.239	C	C	.	.			trans	-122.9	-160.6	165.8	76.9	-4.5	0	0	0	110.6	K23 A26 C27 R61 G62	K23-D59 IonicContact NZ-OD2 2.73Å; K23-D59 PolarHBondContact NZ-OD2 3.49Å; A26-D59 VanDerWaalsContact CA-OD2 3.26Å; A26-D59 WeakPolarHBondContact CA-OD2 3.43Å; A26-D59 WeakPolarHBondContact CB-OD2 3.49Å; C27-D59 HydrophobicContact CB-CB 4.27Å; C27-D59 WeakPolarHBondContact CB-OD1 3.29Å; C27-D59 VanDerWaalsContact N-CG 3.34Å; C27-D59 PolarHBondContact N-OD1 2.8Å; C27-D59 PolarHBondContact N-OD2 2.83Å; D59-R61 VanDerWaalsContact C-N 3.26Å; D59-R61 PolarHBondContact O-N 2.85Å; D59-R61 WeakPolarHBondContact OD1-CA 3.08Å; D59-R61 PolarHBondContact OD1-N 3.09Å; D59-G62 PolarHBondContact N-O 2.89Å; D59-G62 PolarHBondContact OD1-N 2.87Å
60	D	86.6	Confident	87.4	Confident	61 Å²	61	47.1 Å²	47.1	33%	0.326	23%	0.234	S	C	.	.	S	Bend	trans	-78.5	-10	-175.8	86.1	-71.9	0	0	0	113.2	K23 R156	K23-D60 IonicContact NZ-OD1 3.91Å; K23-D60 PolarHBondContact NZ-OD1 2.87Å; D60-R156 VanDerWaalsContact CB-NH2 3.26Å; D60-R156 PolarHBondContact O-NH2 3.3Å; D60-R156 IonicContact OD2-CZ 2.83Å; D60-R156 IonicContact OD2-NH2 3.91Å; D60-R156 PolarHBondContact OD2-NH2 3.34Å
61	R	88	Confident	88.6	Confident	150 Å²	150	47 Å²	47	57%	0.566	23%	0.234	S	C	*	.	S	Bend	trans	-109.6	-22	178.6	-61	-57	-172.1	168.7	1.7	113.7	A26 D59	A26-R61 HydrophobicContact CB-CB 3.61Å; A26-R61 HydrophobicContact CB-CG 3.44Å; A26-R61 VanDerWaalsContact CB-CG 3.44Å; D59-R61 VanDerWaalsContact C-N 3.26Å; D59-R61 PolarHBondContact O-N 2.85Å; D59-R61 WeakPolarHBondContact OD1-CA 3.08Å; D59-R61 PolarHBondContact OD1-N 3.09Å
62	G	90.8	Very high	89.4	Confident	22 Å²	22	47.3 Å²	47.3	23%	0.227	24%	0.236	C	C	.	.			trans	162.5	-152.8	174.3	0	0	0	0	0	114.3	C27 R58 D59	C27-G62 WeakPolarHBondContact CB-O 3.47Å; R58-G62 WeakPolarHBondContact CA-O 3.48Å; D59-G62 PolarHBondContact N-O 2.89Å; D59-G62 PolarHBondContact OD1-N 2.87Å
63	L	94.3	Very high	90.2	Very high	50 Å²	50	46.4 Å²	46.4	26%	0.262	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	148.4	-174.9	-57.9	178.3	0	0	0	109.9	E46 V56 L57 R58 M102 T104	E46-L63 WeakPolarHBondContact OE2-CD2 3.32Å; V56-L63 HydrophobicContact CG1-CB 4.27Å; V56-L63 HydrophobicContact CG1-CD2 4.28Å; L57-L63 CarbonylContact O-C 3.57Å; L57-L63 WeakPolarHBondContact O-CA 3.42Å; R58-L63 HydrophobicContact CB-CD2 3.42Å; R58-L63 VanDerWaalsContact CB-CD2 3.42Å; R58-L63 HydrophobicContact CG-CD2 3.49Å; R58-L63 VanDerWaalsContact CG-CD2 3.49Å; L63-M102 HydrophobicContact CB-CE 3.55Å; L63-M102 HydrophobicContact CB-CG 4.38Å; L63-M102 HydrophobicContact CB-SD 4.33Å; L63-M102 WeakPolarHBondContact O-CE 3.4Å; L63-T104 WeakPolarHBondContact O-CG2 3.1Å; L63-T104 PolarHBondContact O-OG1 3.27Å
64	I	96.1	Very high	90.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	141.4	166.9	-170.5	61.3	0	0	0	110.1	C27 L30 V41 V56 L57 I66 T104 I107 I109	C27-I64 HydrophobicContact CB-CB 4.1Å; C27-I64 HydrophobicContact CB-CG2 3.69Å; L30-I64 HydrophobicContact CB-CD1 4.39Å; L30-I64 HydrophobicContact CD1-CD1 4.19Å; L30-I64 HydrophobicContact CD1-CG1 4.11Å; V41-I64 HydrophobicContact CG2-CG2 4.28Å; V56-I64 WeakPolarHBondContact CA-O 3.34Å; L57-I64 HydrophobicContact CB-CG2 4.01Å; L57-I64 PolarHBondContact N-O 2.89Å; L57-I64 PolarHBondContact O-N 2.87Å; I64-I66 HydrophobicContact CG2-CD1 4.03Å; I64-T104 HydrophobicContact CD1-CG2 4.18Å; I64-I107 HydrophobicContact CD1-CD1 4.01Å; I64-I107 HydrophobicContact CD1-CG1 4.17Å; I64-I109 HydrophobicContact CG1-CD1 3.74Å; I64-I109 HydrophobicContact CG1-CG1 4.01Å; I64-I109 HydrophobicContact CG2-CD1 4.4Å
65	Q	95.8	Very high	89.7	Confident	13 Å²	13	49.3 Å²	49.3	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	136.6	172.7	-179	167	-68.5	0	0	110	F54 L55 E108 I109	F54-Q65 HydrophobicContact CD1-CG 4.37Å; L55-Q65 CarbonylContact O-C 3.54Å; L55-Q65 WeakPolarHBondContact O-CA 3.35Å; Q65-E108 HydrophobicContact CB-CB 4.1Å; Q65-E108 HydrophobicContact CG-CB 4.18Å; Q65-E108 PolarHBondContact NE2-OE2 2.74Å; Q65-E108 CarbonylContact O-C 3.56Å; Q65-E108 VanDerWaalsContact O-CA 3.32Å; Q65-E108 WeakPolarHBondContact O-CA 3.42Å; Q65-E108 WeakPolarHBondContact O-CB 3.24Å; Q65-I109 PolarHBondContact O-N 2.97Å
66	I	95.3	Very high	89.2	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123	173.3	-47.3	-57.1	0	0	0	107.7	V41 F54 L55 L57 I64 V86 I109 A111	V41-I66 HydrophobicContact CG2-CD1 4.07Å; F54-I66 WeakPolarHBondContact CA-O 3.47Å; L55-I66 HydrophobicContact CB-CB 4.07Å; L55-I66 HydrophobicContact CB-CG1 4.47Å; L55-I66 PolarHBondContact N-O 3.03Å; L55-I66 PolarHBondContact O-N 2.85Å; L57-I66 HydrophobicContact CB-CG1 4.32Å; I64-I66 HydrophobicContact CG2-CD1 4.03Å; I66-V86 HydrophobicContact CD1-CB 4.39Å; I66-V86 HydrophobicContact CD1-CG1 4.12Å; I66-V86 HydrophobicContact CG1-CG1 4.43Å; I66-V86 HydrophobicContact CG1-CG2 4.37Å; I66-V86 HydrophobicContact CG2-CG1 3.75Å; I66-I109 CarbonylContact C-O 3.55Å; I66-I109 WeakPolarHBondContact CA-O 3.49Å; I66-I109 HydrophobicContact CD1-CB 3.83Å; I66-I109 HydrophobicContact CD1-CD1 3.78Å; I66-I109 HydrophobicContact CD1-CG1 4.25Å; I66-I109 HydrophobicContact CD1-CG2 4.46Å; I66-A111 HydrophobicContact CG2-CB 3.67Å
67	Y	94	Very high	88.8	Confident	56 Å²	56	58.6 Å²	58.6	22%	0.22	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.3	170.3	175.4	-113.7	0	0	0	109.9	F54 D69 I109 V110 A111	F54-Y67 AromaticContact CD1-CD2 3.84Å; F54-Y67 HydrophobicContact CD1-CD2 3.84Å; F54-Y67 AromaticContact CE1-CD2 3.34Å; F54-Y67 HydrophobicContact CE1-CD2 3.34Å; F54-Y67 AromaticContact CE1-CE2 3.98Å; F54-Y67 HydrophobicContact CE1-CE2 3.98Å; F54-Y67 HydrophobicContact CE1-CG 4.27Å; F54-Y67 AromaticContact CZ-CD2 3.75Å; F54-Y67 HydrophobicContact CZ-CD2 3.75Å; F54-Y67 AromaticContact CZ-CE2 3.9Å; F54-Y67 HydrophobicContact CZ-CE2 3.9Å; Y67-D69 HydrophobicContact CE1-CB 4.1Å; Y67-I109 PolarHBondContact N-O 2.85Å; Y67-V110 HydrophobicContact CD1-CG1 4.19Å; Y67-V110 HydrophobicContact CD1-CG2 4.21Å; Y67-V110 WeakPolarHBondContact O-CA 3.32Å; Y67-A111 PolarHBondContact O-N 3.15Å
68	C	91.9	Very high	88.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.294	C	S	.	.			trans	-113.6	108.1	179	-54.3	0	0	0	0	109.1	R53 K70 I75 I114	R53-C68 PolarHBondContact O-N 3.08Å; C68-K70 PolarHBondContact O-N 3.28Å; C68-I75 HydrophobicContact CB-CD1 3.39Å; C68-I75 HydrophobicContact CB-CG1 4.06Å; C68-I114 VanDerWaalsContact SG-CD1 3.53Å
69	D	88	Confident	88	Confident	46 Å²	46	61.9 Å²	61.9	25%	0.246	31%	0.309	C	S	.	.			trans	-76.3	114.6	168.6	179.9	10.5	0	0	0	109.5	Y67 N71 S72 L73	Y67-D69 HydrophobicContact CE1-CB 4.1Å; D69-N71 PolarHBondContact O-N 3.31Å; D69-N71 WeakPolarHBondContact OD1-CB 3.37Å; D69-N71 PolarHBondContact OD1-N 3.36Å; D69-S72 WeakPolarHBondContact CB-OG 3.48Å; D69-S72 PolarHBondContact O-N 2.8Å; D69-S72 VanDerWaalsContact O-N 3.17Å; D69-S72 PolarHBondContact O-OG 2.97Å; D69-L73 PolarHBondContact O-N 3.49Å
70	K	80.3	Confident	87.9	Confident	88 Å²	88	63.9 Å²	63.9	38%	0.383	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.4	-179.7	-67.4	-172	175.8	-176.3	0	113.4	S51 R53 C68 I75	S51-K70 WeakPolarHBondContact O-CE 3.35Å; S51-K70 PolarHBondContact O-NZ 3.5Å; S51-K70 PolarHBondContact OG-NZ 2.75Å; R53-K70 HydrophobicContact CG-CD 4.31Å; R53-K70 HydrophobicContact CG-CG 4.23Å; C68-K70 PolarHBondContact O-N 3.28Å; K70-I75 HydrophobicContact CG-CD1 4.1Å
71	N	83	Confident	88.3	Confident	149 Å²	149	61.3 Å²	61.3	80%	0.797	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-29	179.1	-64	-24.5	0	0	0	111.6	D69	D69-N71 PolarHBondContact O-N 3.31Å; D69-N71 WeakPolarHBondContact OD1-CB 3.37Å; D69-N71 PolarHBondContact OD1-N 3.36Å
72	S	82	Confident	88.6	Confident	85 Å²	85	54.2 Å²	54.2	59%	0.594	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-28.1	-176.1	62.6	0	0	0	0	113.5	D69	D69-S72 WeakPolarHBondContact CB-OG 3.48Å; D69-S72 PolarHBondContact O-N 2.8Å; D69-S72 VanDerWaalsContact O-N 3.17Å; D69-S72 PolarHBondContact O-OG 2.97Å
73	L	84.4	Confident	88.8	Confident	24 Å²	24	54.6 Å²	54.6	13%	0.126	28%	0.281	C	S	.	.			trans	-129.9	125.7	-172.7	-174.3	65	0	0	0	112.5	D69 I75 A111 I114	D69-L73 PolarHBondContact O-N 3.49Å; L73-I75 PolarHBondContact O-N 3.47Å; L73-A111 HydrophobicContact CD2-CB 3.59Å; L73-I114 HydrophobicContact CD2-CD1 3.66Å; L73-I114 HydrophobicContact CD2-CG1 3.82Å
74	K	81.8	Confident	88.9	Confident	199 Å²	199	52.2 Å²	52.2	87%	0.865	27%	0.268	S	S	*	.			trans	-73.7	113.6	169.5	-174.5	177.9	-179.3	-180	0	109.4	P76	K74-P76 WeakPolarHBondContact O-CD 3.3Å
75	I	82.4	Confident	88.9	Confident	34 Å²	34	56.2 Å²	56.2	17%	0.174	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-83.9	118.1	-178.3	-46	-176.9	0	0	0	108.7	S52 C68 K70 L73 F78	S52-I75 WeakPolarHBondContact O-CD1 3.47Å; C68-I75 HydrophobicContact CB-CD1 3.39Å; C68-I75 HydrophobicContact CB-CG1 4.06Å; K70-I75 HydrophobicContact CG-CD1 4.1Å; L73-I75 PolarHBondContact O-N 3.47Å; I75-F78 HydrophobicContact CG2-CE1 3.85Å; I75-F78 HydrophobicContact CG2-CZ 3.89Å
76	P	82.3	Confident	88.9	Confident	39 Å²	39	55.6 Å²	55.6	25%	0.253	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-69.7	158.4	178.1	30.3	-34.3	0	0	0	110.7	K74 F78 I114 I116	K74-P76 WeakPolarHBondContact O-CD 3.3Å; P76-F78 HydrophobicContact CG-CD1 4.06Å; P76-F78 HydrophobicContact CG-CE1 4.2Å; P76-F78 VanDerWaalsContact O-CD1 3.25Å; P76-F78 WeakPolarHBondContact O-CD1 3.27Å; P76-F78 VanDerWaalsContact O-CE1 3.24Å; P76-F78 WeakPolarHBondContact O-CE1 3.33Å; P76-I114 HydrophobicContact CG-CG2 4.1Å; P76-I116 HydrophobicContact CB-CD1 3.78Å; P76-I116 HydrophobicContact CB-CG1 4.34Å; P76-I116 HydrophobicContact CG-CD1 3.97Å; P76-I116 HydrophobicContact CG-CG1 4.05Å
77	Q	85.2	Confident	88.9	Confident	174 Å²	174	57.1 Å²	57.1	81%	0.813	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-79.5	124.1	172.1	-172	176.2	-2.8	0	0	109.2	I116	Q77-I116 WeakPolarHBondContact O-CD1 3.31Å
78	F	86	Confident	89	Confident	21 Å²	21	54.4 Å²	54.4	9%	0.092	28%	0.279	C	S	.	.			trans	-134.5	156.9	176.6	38.5	-113.7	0	0	0	110.2	L45 C48 L55 I75 P76 L84 I116	L45-F78 HydrophobicContact CD1-CE2 4.46Å; L45-F78 HydrophobicContact CD2-CB 4.43Å; L45-F78 HydrophobicContact CD2-CD2 3.04Å; L45-F78 HydrophobicContact CD2-CE2 3.34Å; L45-F78 HydrophobicContact CD2-CG 3.86Å; L45-F78 HydrophobicContact CD2-CZ 4.35Å; L45-F78 HydrophobicContact CG-CD2 4.46Å; C48-F78 HydrophobicContact CB-CE2 4.31Å; L55-F78 HydrophobicContact CD1-CE1 4.04Å; L55-F78 HydrophobicContact CD1-CE2 4.47Å; L55-F78 HydrophobicContact CD1-CZ 3.6Å; L55-F78 HydrophobicContact CD2-CE2 3.78Å; L55-F78 HydrophobicContact CD2-CZ 3.48Å; L55-F78 VanDerWaalsContact CD2-CZ 3.48Å; L55-F78 HydrophobicContact CG-CZ 4.2Å; I75-F78 HydrophobicContact CG2-CE1 3.85Å; I75-F78 HydrophobicContact CG2-CZ 3.89Å; P76-F78 HydrophobicContact CG-CD1 4.06Å; P76-F78 HydrophobicContact CG-CE1 4.2Å; P76-F78 VanDerWaalsContact O-CD1 3.25Å; P76-F78 WeakPolarHBondContact O-CD1 3.27Å; P76-F78 VanDerWaalsContact O-CE1 3.24Å; P76-F78 WeakPolarHBondContact O-CE1 3.33Å; F78-L84 HydrophobicContact CB-CD2 4.46Å; F78-L84 HydrophobicContact CD1-CD1 4.3Å; F78-L84 HydrophobicContact CD1-CD2 4.12Å; F78-L84 HydrophobicContact CE1-CD1 4.38Å; F78-L84 HydrophobicContact CG-CD2 4.47Å; F78-I116 HydrophobicContact CB-CD1 4.04Å; F78-I116 HydrophobicContact CD1-CD1 4.36Å
79	N	87.9	Confident	89.3	Confident	74 Å²	74	59.4 Å²	59.4	40%	0.396	30%	0.301	S	S	.	.			trans	-93.4	161.4	171.6	-64.6	-29.1	0	0	0	109.4	S82 S120	N79-S82 PolarHBondContact N-OG 3.2Å; N79-S82 VanDerWaalsContact O-CB 3.27Å; N79-S82 WeakPolarHBondContact O-CB 3.49Å; N79-S82 PolarHBondContact O-N 3.25Å; N79-S82 VanDerWaalsContact O-N 3.15Å; N79-S82 PolarHBondContact O-OG 2.78Å; N79-S120 VanDerWaalsContact CB-O 3.29Å; N79-S120 WeakPolarHBondContact CB-O 3.27Å; N79-S120 PolarHBondContact ND2-O 2.85Å
80	S	89.7	Confident	89.8	Confident	56 Å²	56	57.2 Å²	57.2	39%	0.392	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	143.5	166	54.3	0	0	0	0	110.1	S82 S120	S80-S82 PolarHBondContact O-N 3.13Å; S80-S120 WeakPolarHBondContact O-CB 3.45Å
81	E	94.2	Very high	90.6	Very high	7 Å²	7	56.2 Å²	56.2	3%	0.033	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	10.5	-177.1	-63.3	-81	126.5	0	0	114.8	L45 R58 S120 L123 L126 R147	L45-E81 WeakPolarHBondContact O-CA 3.46Å; L45-E81 PolarHBondContact O-N 3.14Å; R58-E81 IonicContact CZ-OE1 3.71Å; R58-E81 IonicContact NE-OE1 3.57Å; R58-E81 VanDerWaalsContact NH2-CD 3.29Å; R58-E81 IonicContact NH2-OE1 2.65Å; R58-E81 PolarHBondContact NH2-OE1 3.37Å; R58-E81 IonicContact NH2-OE2 3.04Å; R58-E81 PolarHBondContact NH2-OE2 3.36Å; E81-S120 WeakPolarHBondContact O-CB 3.29Å; E81-L123 HydrophobicContact CB-CD1 3.82Å; E81-L123 HydrophobicContact CG-CD1 3.64Å; E81-L126 HydrophobicContact CG-CD2 4.25Å; E81-R147 IonicContact OE2-CZ 3.78Å; E81-R147 IonicContact OE2-NH1 2.79Å; E81-R147 PolarHBondContact OE2-NH1 2.81Å
82	S	95.1	Very high	91.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.			trans	-60.7	144.5	162.3	-76.6	0	0	0	0	110.7	W44 L45 N79 S80 S118 S120	W44-S82 WeakPolarHBondContact CA-O 3.23Å; L45-S82 PolarHBondContact N-O 2.72Å; N79-S82 PolarHBondContact N-OG 3.2Å; N79-S82 VanDerWaalsContact O-CB 3.27Å; N79-S82 WeakPolarHBondContact O-CB 3.49Å; N79-S82 PolarHBondContact O-N 3.25Å; N79-S82 VanDerWaalsContact O-N 3.15Å; N79-S82 PolarHBondContact O-OG 2.78Å; S80-S82 PolarHBondContact O-N 3.13Å; S82-S118 CarbonylContact C-O 3.56Å; S82-S118 WeakPolarHBondContact CA-O 3.45Å; S82-S120 PolarHBondContact OG-N 3.22Å; S82-S120 VanDerWaalsContact OG-N 3.1Å
83	V	96.1	Very high	91.8	Very high	30 Å²	30	48.4 Å²	48.4	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.8	177.8	-173.2	0	0	0	0	109.2	G43 W44 L117 S118	G43-V83 CarbonylContact O-C 3.56Å; G43-V83 VanDerWaalsContact O-CA 3.32Å; G43-V83 WeakPolarHBondContact O-CA 2.97Å; W44-V83 HydrophobicContact CG-CG2 4.49Å; V83-L117 HydrophobicContact CB-CB 4.29Å; V83-L117 HydrophobicContact CG1-CB 4.05Å; V83-L117 HydrophobicContact CG1-CD1 4.13Å; V83-L117 PolarHBondContact O-N 3.05Å; V83-S118 PolarHBondContact N-O 2.9Å; V83-S118 PolarHBondContact O-N 3.12Å
84	L	95.2	Very high	92.2	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145.8	-177.8	-50.8	-179.6	0	0	0	110.8	C42 G43 L45 L55 L57 F78 V86 E115 I116	C42-L84 VanDerWaalsContact CA-O 3.27Å; C42-L84 WeakPolarHBondContact CA-O 3.39Å; G43-L84 PolarHBondContact N-O 3.07Å; G43-L84 VanDerWaalsContact N-O 3.09Å; G43-L84 PolarHBondContact O-N 2.87Å; L45-L84 HydrophobicContact CB-CD1 4.06Å; L45-L84 HydrophobicContact CB-CG 4.45Å; L45-L84 HydrophobicContact CD1-CD1 4.13Å; L45-L84 HydrophobicContact CG-CD1 4.49Å; L55-L84 HydrophobicContact CD1-CD1 4.34Å; L57-L84 HydrophobicContact CD1-CB 3.87Å; L57-L84 HydrophobicContact CD1-CD1 4.19Å; L57-L84 HydrophobicContact CD1-CG 4.23Å; F78-L84 HydrophobicContact CB-CD2 4.46Å; F78-L84 HydrophobicContact CD1-CD1 4.3Å; F78-L84 HydrophobicContact CD1-CD2 4.12Å; F78-L84 HydrophobicContact CE1-CD1 4.38Å; F78-L84 HydrophobicContact CG-CD2 4.47Å; L84-V86 HydrophobicContact CB-CG2 4.35Å; L84-E115 CarbonylContact C-O 3.47Å; L84-E115 WeakPolarHBondContact CA-O 2.94Å; L84-I116 HydrophobicContact CD2-CB 4.3Å; L84-I116 HydrophobicContact CD2-CG1 3.76Å; L84-I116 HydrophobicContact CD2-CG2 4.42Å
85	R	95.7	Very high	92.6	Very high	83 Å²	83	49.6 Å²	49.6	31%	0.313	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.9	160.4	171.3	163.3	71.6	178.9	4.7	108.1	T40 I114 E115 L117	T40-R85 HydrophobicContact CG2-CG 4.04Å; R85-I114 WeakPolarHBondContact O-CA 3.35Å; R85-E115 HydrophobicContact CB-CB 4.34Å; R85-E115 IonicContact CZ-OE2 3.24Å; R85-E115 PolarHBondContact N-O 3.44Å; R85-E115 IonicContact NE-OE2 3.33Å; R85-E115 PolarHBondContact NE-OE2 2.86Å; R85-E115 VanDerWaalsContact NH2-CD 3.32Å; R85-E115 IonicContact NH2-OE1 2.73Å; R85-E115 PolarHBondContact NH2-OE1 3.46Å; R85-E115 IonicContact NH2-OE2 3.46Å; R85-E115 PolarHBondContact NH2-OE2 3.49Å; R85-E115 PolarHBondContact O-N 2.89Å; R85-L117 HydrophobicContact CB-CD1 4.02Å; R85-L117 HydrophobicContact CB-CD2 4.12Å; R85-L117 HydrophobicContact CB-CG 4Å
86	V	95.4	Very high	93.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.3	-179.8	-175.8	0	0	0	0	109.2	T40 V41 L57 I66 L84 A111 S113 I114	T40-V86 CarbonylContact C-O 3.49Å; T40-V86 VanDerWaalsContact CA-O 3.3Å; T40-V86 WeakPolarHBondContact CA-O 3.49Å; V41-V86 HydrophobicContact CG2-CB 4.08Å; V41-V86 PolarHBondContact N-O 2.93Å; V41-V86 PolarHBondContact O-N 2.84Å; L57-V86 HydrophobicContact CD2-CG2 4.4Å; I66-V86 HydrophobicContact CD1-CB 4.39Å; I66-V86 HydrophobicContact CD1-CG1 4.12Å; I66-V86 HydrophobicContact CG1-CG1 4.43Å; I66-V86 HydrophobicContact CG1-CG2 4.37Å; I66-V86 HydrophobicContact CG2-CG1 3.75Å; L84-V86 HydrophobicContact CB-CG2 4.35Å; V86-A111 HydrophobicContact CG1-CB 3.91Å; V86-S113 WeakPolarHBondContact CA-O 3.16Å; V86-I114 HydrophobicContact CG1-CG1 4.22Å; V86-I114 HydrophobicContact CG2-CG1 4.14Å
87	T	96.5	Very high	93.5	Very high	33 Å²	33	58.5 Å²	58.5	20%	0.202	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.7	168.5	-57.2	0	0	0	0	108.9	T38 V39 T40 E112 S113	T38-T87 HydrophobicContact CG2-CG2 3.96Å; V39-T87 VanDerWaalsContact O-CA 3.31Å; V39-T87 WeakPolarHBondContact O-CA 3.32Å; T40-T87 WeakPolarHBondContact OG1-CG2 3.44Å; T40-T87 PolarHBondContact OG1-OG1 3.34Å; T87-E112 PolarHBondContact O-N 2.86Å; T87-S113 WeakPolarHBondContact CB-OG 3.36Å; T87-S113 PolarHBondContact N-O 2.82Å; T87-S113 VanDerWaalsContact N-O 3.11Å; T87-S113 PolarHBondContact O-N 2.96Å
88	G	96.5	Very high	93.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179	-179.5	-178.6	0	0	0	0	0	114.1	T38 V39 V110	T38-G88 CarbonylContact C-O 3.57Å; T38-G88 WeakPolarHBondContact CA-O 3.25Å; V39-G88 PolarHBondContact N-O 3.12Å; V39-G88 PolarHBondContact O-N 2.88Å; G88-V110 CarbonylContact C-O 3.52Å; G88-V110 WeakPolarHBondContact CA-O 3.25Å
89	K	97.5	Very high	94.2	Very high	104 Å²	104	54 Å²	54	45%	0.452	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.6	-178.9	-72.5	179.9	-176.9	178.9	0	111.8	S37 I109 V110 E112	S37-K89 WeakPolarHBondContact O-CA 3.45Å; K89-I109 CarbonylContact O-C 3.54Å; K89-I109 WeakPolarHBondContact O-CA 3.42Å; K89-V110 PolarHBondContact N-O 2.89Å; K89-V110 PolarHBondContact O-N 2.82Å; K89-E112 VanDerWaalsContact CE-OE1 3.27Å; K89-E112 WeakPolarHBondContact CE-OE1 3.21Å; K89-E112 WeakPolarHBondContact CG-OE1 3.36Å
90	V	97.8	Very high	94.4	Very high	1 Å²	1	60 Å²	60	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.3	172.3	-176.3	0	0	0	0	109.5	L30 H34 I35 N36 S37 V39 I107 E108 I109	L30-V90 HydrophobicContact CD2-CG2 4.38Å; H34-V90 HydrophobicContact CB-CG1 4.39Å; H34-V90 HydrophobicContact CB-CG2 4.26Å; H34-V90 WeakPolarHBondContact O-CB 3.44Å; I35-V90 HydrophobicContact CG1-CG1 4.43Å; N36-V90 PolarHBondContact N-O 3.33Å; S37-V90 PolarHBondContact O-N 3.24Å; V39-V90 HydrophobicContact CB-CG2 4.37Å; V39-V90 HydrophobicContact CG1-CG2 3.79Å; V39-V90 HydrophobicContact CG2-CG2 3.61Å; V90-I107 HydrophobicContact CG1-CB 4.15Å; V90-I107 HydrophobicContact CG1-CD1 3.96Å; V90-I107 HydrophobicContact CG1-CG2 4.38Å; V90-E108 CarbonylContact C-O 3.57Å; V90-E108 WeakPolarHBondContact CA-O 3.35Å; V90-I109 HydrophobicContact CG2-CG1 4.34Å
91	Q	97.1	Very high	94.4	Very high	67 Å²	67	69 Å²	69	31%	0.313	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	160.6	172.4	71.9	177.1	13.6	0	0	111.3	I107 E108 V110	Q91-I107 CarbonylContact O-C 3.54Å; Q91-I107 VanDerWaalsContact O-CA 3.25Å; Q91-I107 WeakPolarHBondContact O-CA 3.29Å; Q91-I107 WeakPolarHBondContact O-CB 3.32Å; Q91-E108 HydrophobicContact CG-CG 3.69Å; Q91-E108 PolarHBondContact N-O 3.32Å; Q91-E108 PolarHBondContact NE2-OE1 3.3Å; Q91-E108 PolarHBondContact O-N 2.93Å; Q91-V110 HydrophobicContact CB-CG2 4.4Å; Q91-V110 HydrophobicContact CG-CG2 3.72Å
92	A	96.6	Very high	94.2	Very high	54 Å²	54	69.4 Å²	69.4	45%	0.446	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.1	168	0	0	0	0	0	110.1	I35	I35-A92 HydrophobicContact CD1-CB 4.01Å
93	R	94.4	Very high	93.9	Very high	15 Å²	15	75.3 Å²	75.3	6%	0.057	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-70.2	151.2	168	-62.8	-167.6	-162.1	-170.9	4.2	109.8	E95 V98 T104 G105 E106 I107 E108	R93-E95 PolarHBondContact O-N 2.98Å; R93-V98 HydrophobicContact CB-CG2 4.48Å; R93-T104 PolarHBondContact NH2-O 2.75Å; R93-G105 VanDerWaalsContact CD-O 3.23Å; R93-G105 WeakPolarHBondContact CD-O 3.4Å; R93-G105 PolarHBondContact NE-O 3.3Å; R93-E106 PolarHBondContact N-O 3.43Å; R93-I107 PolarHBondContact NE-O 2.98Å; R93-I107 PolarHBondContact NH2-O 2.88Å; R93-E108 HydrophobicContact CG-CB 4.16Å; R93-E108 HydrophobicContact CG-CG 4.08Å
94	P	92.1	Very high	93.9	Very high	64 Å²	64	74 Å²	74	42%	0.416	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-52.9	142.2	166.5	-23.1	33.1	0	0	0	110.5	K96 D97 V98	P94-K96 HydrophobicContact CB-CG 4.24Å; P94-K96 PolarHBondContact O-N 2.81Å; P94-K96 VanDerWaalsContact O-N 3.08Å; P94-D97 HydrophobicContact CB-CB 4.4Å; P94-D97 WeakPolarHBondContact O-CA 3.38Å; P94-D97 PolarHBondContact O-N 3.25Å; P94-V98 PolarHBondContact O-N 3.45Å
95	E	91.3	Very high	93.9	Very high	185 Å²	185	74 Å²	74	86%	0.864	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-52.6	-38.5	-174	-169.3	179	-179.3	0	0	113.1	R93 D97 V98	R93-E95 PolarHBondContact O-N 2.98Å; E95-D97 VanDerWaalsContact C-N 3.28Å; E95-D97 PolarHBondContact O-N 2.94Å; E95-V98 PolarHBondContact O-N 2.96Å
96	K	92.8	Very high	93.9	Very high	181 Å²	181	75.4 Å²	75.4	79%	0.787	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-67.1	-22.5	176.4	65.8	175.2	-174.1	178.7	0	114.8	P94	P94-K96 HydrophobicContact CB-CG 4.24Å; P94-K96 PolarHBondContact O-N 2.81Å; P94-K96 VanDerWaalsContact O-N 3.08Å
97	D	90.8	Very high	94	Very high	78 Å²	78	75.5 Å²	75.5	42%	0.417	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-105.2	3.7	-173.8	-62.6	-46.5	0	0	0	112.1	P94 E95 N99	P94-D97 HydrophobicContact CB-CB 4.4Å; P94-D97 WeakPolarHBondContact O-CA 3.38Å; P94-D97 PolarHBondContact O-N 3.25Å; E95-D97 VanDerWaalsContact C-N 3.28Å; E95-D97 PolarHBondContact O-N 2.94Å; D97-N99 PolarHBondContact O-N 3.3Å
98	V	93.8	Very high	94	Very high	45 Å²	45	74.3 Å²	74.3	27%	0.273	36%	0.362	S	S	.	.			trans	-63.3	120.4	174.5	173.7	0	0	0	0	109.9	R93 P94 E95 K100 G105 E106	R93-V98 HydrophobicContact CB-CG2 4.48Å; P94-V98 PolarHBondContact O-N 3.45Å; E95-V98 PolarHBondContact O-N 2.96Å; V98-K100 HydrophobicContact CG1-CG 4.38Å; V98-G105 WeakPolarHBondContact CA-O 3.36Å; V98-E106 HydrophobicContact CG1-CG 3.85Å
99	N	92.1	Very high	94	Very high	56 Å²	56	74.3 Å²	74.3	30%	0.299	36%	0.362	S	S	.	.			trans	-100.4	90.7	-179.7	-177.1	6.2	0	0	0	111.6	D97 R101 M102 G105	D97-N99 PolarHBondContact O-N 3.3Å; N99-R101 PolarHBondContact O-N 3.47Å; N99-R101 WeakPolarHBondContact OD1-CB 3.45Å; N99-R101 PolarHBondContact OD1-N 3.08Å; N99-R101 VanDerWaalsContact OD1-N 3.14Å; N99-M102 HydrophobicContact CB-CB 4.41Å; N99-M102 PolarHBondContact O-N 3.44Å; N99-G105 PolarHBondContact N-O 2.91Å; N99-G105 WeakPolarHBondContact O-CA 3.36Å
100	K	91.9	Very high	94	Very high	201 Å²	201	70.9 Å²	70.9	87%	0.874	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.6	179.6	-59.2	-172.3	-175.1	-174.3	0	115	V98 M102	V98-K100 HydrophobicContact CG1-CG 4.38Å; K100-M102 VanDerWaalsContact C-N 3.32Å
101	R	89.4	Confident	93.9	Very high	244 Å²	244	71 Å²	71	92%	0.921	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.7	175.8	-58.4	-178.5	-179.5	178.9	0.2	113.3	N99	N99-R101 PolarHBondContact O-N 3.47Å; N99-R101 WeakPolarHBondContact OD1-CB 3.45Å; N99-R101 PolarHBondContact OD1-N 3.08Å; N99-R101 VanDerWaalsContact OD1-N 3.14Å
102	M	90	Very high	93.8	Very high	16 Å²	16	72.4 Å²	72.4	8%	0.079	36%	0.357	C	S	.	.	S	Bend	trans	-117.8	129.4	-177	179.6	172.3	171.8	0	0	108.9	L63 N99 K100 T104 G105	L63-M102 HydrophobicContact CB-CE 3.55Å; L63-M102 HydrophobicContact CB-CG 4.38Å; L63-M102 HydrophobicContact CB-SD 4.33Å; L63-M102 WeakPolarHBondContact O-CE 3.4Å; N99-M102 HydrophobicContact CB-CB 4.41Å; N99-M102 PolarHBondContact O-N 3.44Å; K100-M102 VanDerWaalsContact C-N 3.32Å; M102-T104 WeakPolarHBondContact CE-OG1 3.14Å; M102-T104 PolarHBondContact O-N 3.39Å; M102-G105 WeakPolarHBondContact O-CA 3.42Å; M102-G105 PolarHBondContact O-N 3.19Å
103	P	89.4	Confident	93.7	Very high	124 Å²	124	72.5 Å²	72.5	81%	0.805	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-35	180	-28.5	35.7	0	0	0	113.9	G105	P103-G105 VanDerWaalsContact C-N 3.33Å
104	T	95.6	Very high	93.7	Very high	2 Å²	2	73 Å²	73	1%	0.012	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	20.6	175.8	60.6	0	0	0	0	112.3	L30 L63 I64 R93 M102 E106 I107	L30-T104 WeakPolarHBondContact O-CG2 3.48Å; L63-T104 WeakPolarHBondContact O-CG2 3.1Å; L63-T104 PolarHBondContact O-OG1 3.27Å; I64-T104 HydrophobicContact CD1-CG2 4.18Å; R93-T104 PolarHBondContact NH2-O 2.75Å; M102-T104 WeakPolarHBondContact CE-OG1 3.14Å; M102-T104 PolarHBondContact O-N 3.39Å; T104-E106 PolarHBondContact O-N 3.11Å; T104-I107 WeakPolarHBondContact O-CG1 3.41Å; T104-I107 PolarHBondContact O-N 2.85Å
105	G	95	Very high	93.7	Very high	1 Å²	1	74 Å²	74	1%	0.01	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-13	-171.6	0	0	0	0	0	115.4	R93 V98 N99 M102 P103	R93-G105 VanDerWaalsContact CD-O 3.23Å; R93-G105 WeakPolarHBondContact CD-O 3.4Å; R93-G105 PolarHBondContact NE-O 3.3Å; V98-G105 WeakPolarHBondContact CA-O 3.36Å; N99-G105 PolarHBondContact N-O 2.91Å; N99-G105 WeakPolarHBondContact O-CA 3.36Å; M102-G105 WeakPolarHBondContact O-CA 3.42Å; M102-G105 PolarHBondContact O-N 3.19Å; P103-G105 VanDerWaalsContact C-N 3.33Å
106	E	96.8	Very high	93.9	Very high	113 Å²	113	67 Å²	67	53%	0.528	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-14.8	174.8	-67.2	176.2	-158	0	0	112.9	T32 R93 V98 T104	T32-E106 HydrophobicContact CG2-CB 4.16Å; T32-E106 WeakPolarHBondContact CG2-OE2 3.42Å; R93-E106 PolarHBondContact N-O 3.43Å; V98-E106 HydrophobicContact CG1-CG 3.85Å; T104-E106 PolarHBondContact O-N 3.11Å
107	I	97.3	Very high	94	Very high	1 Å²	1	61 Å²	61	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	162.5	-174.2	59.6	159.5	0	0	0	112.1	L30 T32 I35 I64 V90 Q91 R93 T104	L30-I107 HydrophobicContact CB-CD1 3.56Å; T32-I107 HydrophobicContact CG2-CG2 3.97Å; I35-I107 HydrophobicContact CD1-CG2 4.47Å; I35-I107 HydrophobicContact CG1-CG2 4.26Å; I64-I107 HydrophobicContact CD1-CD1 4.01Å; I64-I107 HydrophobicContact CD1-CG1 4.17Å; V90-I107 HydrophobicContact CG1-CB 4.15Å; V90-I107 HydrophobicContact CG1-CD1 3.96Å; V90-I107 HydrophobicContact CG1-CG2 4.38Å; Q91-I107 CarbonylContact O-C 3.54Å; Q91-I107 VanDerWaalsContact O-CA 3.25Å; Q91-I107 WeakPolarHBondContact O-CA 3.29Å; Q91-I107 WeakPolarHBondContact O-CB 3.32Å; R93-I107 PolarHBondContact NE-O 2.98Å; R93-I107 PolarHBondContact NH2-O 2.88Å; T104-I107 WeakPolarHBondContact O-CG1 3.41Å; T104-I107 PolarHBondContact O-N 2.85Å
108	E	96.6	Very high	94.2	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.037	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	162.2	169.8	62.4	-174.2	-176.2	0	0	110.3	Q65 V90 Q91 R93	Q65-E108 HydrophobicContact CB-CB 4.1Å; Q65-E108 HydrophobicContact CG-CB 4.18Å; Q65-E108 PolarHBondContact NE2-OE2 2.74Å; Q65-E108 CarbonylContact O-C 3.56Å; Q65-E108 VanDerWaalsContact O-CA 3.32Å; Q65-E108 WeakPolarHBondContact O-CA 3.42Å; Q65-E108 WeakPolarHBondContact O-CB 3.24Å; V90-E108 CarbonylContact C-O 3.57Å; V90-E108 WeakPolarHBondContact CA-O 3.35Å; Q91-E108 HydrophobicContact CG-CG 3.69Å; Q91-E108 PolarHBondContact N-O 3.32Å; Q91-E108 PolarHBondContact NE2-OE1 3.3Å; Q91-E108 PolarHBondContact O-N 2.93Å; R93-E108 HydrophobicContact CG-CB 4.16Å; R93-E108 HydrophobicContact CG-CG 4.08Å
109	I	96.8	Very high	94.2	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120	174	-60.4	168.6	0	0	0	108.2	L30 V39 V41 I64 Q65 I66 Y67 K89 V90 A111	L30-I109 HydrophobicContact CD1-CD1 3.73Å; L30-I109 HydrophobicContact CD1-CG1 4.25Å; V39-I109 HydrophobicContact CG2-CD1 3.65Å; V39-I109 HydrophobicContact CG2-CG1 3.91Å; V39-I109 HydrophobicContact CG2-CG2 4.35Å; V41-I109 HydrophobicContact CB-CD1 4.34Å; V41-I109 HydrophobicContact CG1-CD1 3.77Å; V41-I109 HydrophobicContact CG2-CD1 3.58Å; I64-I109 HydrophobicContact CG1-CD1 3.74Å; I64-I109 HydrophobicContact CG1-CG1 4.01Å; I64-I109 HydrophobicContact CG2-CD1 4.4Å; Q65-I109 PolarHBondContact O-N 2.97Å; I66-I109 CarbonylContact C-O 3.55Å; I66-I109 WeakPolarHBondContact CA-O 3.49Å; I66-I109 HydrophobicContact CD1-CB 3.83Å; I66-I109 HydrophobicContact CD1-CD1 3.78Å; I66-I109 HydrophobicContact CD1-CG1 4.25Å; I66-I109 HydrophobicContact CD1-CG2 4.46Å; Y67-I109 PolarHBondContact N-O 2.85Å; K89-I109 CarbonylContact O-C 3.54Å; K89-I109 WeakPolarHBondContact O-CA 3.42Å; V90-I109 HydrophobicContact CG2-CG1 4.34Å; I109-A111 PolarHBondContact O-N 3.23Å
110	V	96	Very high	94.3	Very high	33 Å²	33	62.9 Å²	62.9	20%	0.2	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	108.9	166.3	-174.5	0	0	0	0	107.9	Y67 G88 K89 Q91 E112	Y67-V110 HydrophobicContact CD1-CG1 4.19Å; Y67-V110 HydrophobicContact CD1-CG2 4.21Å; Y67-V110 WeakPolarHBondContact O-CA 3.32Å; G88-V110 CarbonylContact C-O 3.52Å; G88-V110 WeakPolarHBondContact CA-O 3.25Å; K89-V110 PolarHBondContact N-O 2.89Å; K89-V110 PolarHBondContact O-N 2.82Å; Q91-V110 HydrophobicContact CB-CG2 4.4Å; Q91-V110 HydrophobicContact CG-CG2 3.72Å; V110-E112 PolarHBondContact O-N 2.85Å
111	A	95.6	Very high	94.3	Very high	2 Å²	2	57.6 Å²	57.6	2%	0.017	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	125	-178	0	0	0	0	0	111.4	I66 Y67 L73 V86 I109 I114	I66-A111 HydrophobicContact CG2-CB 3.67Å; Y67-A111 PolarHBondContact O-N 3.15Å; L73-A111 HydrophobicContact CD2-CB 3.59Å; V86-A111 HydrophobicContact CG1-CB 3.91Å; I109-A111 PolarHBondContact O-N 3.23Å; A111-I114 HydrophobicContact CB-CD1 3.96Å; A111-I114 HydrophobicContact CB-CG1 3.96Å
112	E	95.3	Very high	94.4	Very high	98 Å²	98	51.7 Å²	51.7	46%	0.458	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-30.1	168.6	-66.9	174.6	165.6	0	0	110.4	T87 K89 V110	T87-E112 PolarHBondContact O-N 2.86Å; K89-E112 VanDerWaalsContact CE-OE1 3.27Å; K89-E112 WeakPolarHBondContact CE-OE1 3.21Å; K89-E112 WeakPolarHBondContact CG-OE1 3.36Å; V110-E112 PolarHBondContact O-N 2.85Å
113	S	94.2	Very high	94.5	Very high	56 Å²	56	53.1 Å²	53.1	39%	0.392	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	146.1	172	70.7	0	0	0	0	111.5	V86 T87	V86-S113 WeakPolarHBondContact CA-O 3.16Å; T87-S113 WeakPolarHBondContact CB-OG 3.36Å; T87-S113 PolarHBondContact N-O 2.82Å; T87-S113 VanDerWaalsContact N-O 3.11Å; T87-S113 PolarHBondContact O-N 2.96Å
114	I	93.8	Very high	94.7	Very high	25 Å²	25	50 Å²	50	13%	0.128	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.7	173.2	-63.8	169.1	0	0	0	108	L55 C68 L73 P76 R85 V86 A111	L55-I114 HydrophobicContact CD1-CD1 4.04Å; C68-I114 VanDerWaalsContact SG-CD1 3.53Å; L73-I114 HydrophobicContact CD2-CD1 3.66Å; L73-I114 HydrophobicContact CD2-CG1 3.82Å; P76-I114 HydrophobicContact CG-CG2 4.1Å; R85-I114 WeakPolarHBondContact O-CA 3.35Å; V86-I114 HydrophobicContact CG1-CG1 4.22Å; V86-I114 HydrophobicContact CG2-CG1 4.14Å; A111-I114 HydrophobicContact CB-CD1 3.96Å; A111-I114 HydrophobicContact CB-CG1 3.96Å
115	E	94	Very high	94.7	Very high	85 Å²	85	50.6 Å²	50.6	40%	0.397	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.7	175.1	178	-176.1	171.6	0	0	109.8	L84 R85 L117	L84-E115 CarbonylContact C-O 3.47Å; L84-E115 WeakPolarHBondContact CA-O 2.94Å; R85-E115 HydrophobicContact CB-CB 4.34Å; R85-E115 IonicContact CZ-OE2 3.24Å; R85-E115 PolarHBondContact N-O 3.44Å; R85-E115 IonicContact NE-OE2 3.33Å; R85-E115 PolarHBondContact NE-OE2 2.86Å; R85-E115 VanDerWaalsContact NH2-CD 3.32Å; R85-E115 IonicContact NH2-OE1 2.73Å; R85-E115 PolarHBondContact NH2-OE1 3.46Å; R85-E115 IonicContact NH2-OE2 3.46Å; R85-E115 PolarHBondContact NH2-OE2 3.49Å; R85-E115 PolarHBondContact O-N 2.89Å; E115-L117 HydrophobicContact CG-CD2 4.23Å; E115-L117 PolarHBondContact O-N 3.47Å
116	I	94.1	Very high	94.7	Very high	38 Å²	38	52.8 Å²	52.8	20%	0.195	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	110.5	172.8	-56.8	176.6	0	0	0	107.5	P76 Q77 F78 L84	P76-I116 HydrophobicContact CB-CD1 3.78Å; P76-I116 HydrophobicContact CB-CG1 4.34Å; P76-I116 HydrophobicContact CG-CD1 3.97Å; P76-I116 HydrophobicContact CG-CG1 4.05Å; Q77-I116 WeakPolarHBondContact O-CD1 3.31Å; F78-I116 HydrophobicContact CB-CD1 4.04Å; F78-I116 HydrophobicContact CD1-CD1 4.36Å; L84-I116 HydrophobicContact CD2-CB 4.3Å; L84-I116 HydrophobicContact CD2-CG1 3.76Å; L84-I116 HydrophobicContact CD2-CG2 4.42Å
117	L	95.3	Very high	94.6	Very high	55 Å²	55	47.5 Å²	47.5	29%	0.288	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-33.4	174.7	-60.6	-178.5	0	0	0	111.4	Y22 V83 R85 E115	Y22-L117 HydrophobicContact CE2-CD1 4.17Å; V83-L117 HydrophobicContact CB-CB 4.29Å; V83-L117 HydrophobicContact CG1-CB 4.05Å; V83-L117 HydrophobicContact CG1-CD1 4.13Å; V83-L117 PolarHBondContact O-N 3.05Å; R85-L117 HydrophobicContact CB-CD1 4.02Å; R85-L117 HydrophobicContact CB-CD2 4.12Å; R85-L117 HydrophobicContact CB-CG 4Å; E115-L117 HydrophobicContact CG-CD2 4.23Å; E115-L117 PolarHBondContact O-N 3.47Å
118	S	95.4	Very high	94.3	Very high	69 Å²	69	52.9 Å²	52.9	48%	0.483	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	131.1	176.6	-62.4	0	0	0	0	111.2	S82 V83	S82-S118 CarbonylContact C-O 3.56Å; S82-S118 WeakPolarHBondContact CA-O 3.45Å; V83-S118 PolarHBondContact N-O 2.9Å; V83-S118 PolarHBondContact O-N 3.12Å
119	H	94.3	Very high	94.3	Very high	132 Å²	132	55.5 Å²	55.5	61%	0.611	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-77.1	134.9	171.6	-70.6	-90.9	0	0	0	110.5
120	S	93.4	Very high	94.2	Very high	17 Å²	17	55.7 Å²	55.7	12%	0.119	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-92.6	139.2	168.8	-169.1	0	0	0	0	111.3	N79 S80 E81 S82	N79-S120 VanDerWaalsContact CB-O 3.29Å; N79-S120 WeakPolarHBondContact CB-O 3.27Å; N79-S120 PolarHBondContact ND2-O 2.85Å; S80-S120 WeakPolarHBondContact O-CB 3.45Å; E81-S120 WeakPolarHBondContact O-CB 3.29Å; S82-S120 PolarHBondContact OG-N 3.22Å; S82-S120 VanDerWaalsContact OG-N 3.1Å
121	S	91.7	Very high	94	Very high	90 Å²	90	58.6 Å²	58.6	63%	0.629	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-77.7	164.3	160.2	-64.8	0	0	0	0	110	L123	S121-L123 PolarHBondContact O-N 3.26Å
122	P	90.8	Very high	94	Very high	121 Å²	121	65.4 Å²	65.4	79%	0.786	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-51.9	128.3	168.7	-25.3	34.9	0	0	0	110.7
123	L	93.8	Very high	94.1	Very high	45 Å²	45	62 Å²	62	24%	0.236	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-89	150.7	178.5	-55.4	-176.8	0	0	0	110.2	E81 S121 F125 L126 I144	E81-L123 HydrophobicContact CB-CD1 3.82Å; E81-L123 HydrophobicContact CG-CD1 3.64Å; S121-L123 PolarHBondContact O-N 3.26Å; L123-F125 WeakPolarHBondContact CB-O 3.44Å; L123-F125 PolarHBondContact O-N 3.45Å; L123-L126 HydrophobicContact CD1-CD2 4.48Å; L123-I144 HydrophobicContact CD1-CD1 3.85Å; L123-I144 HydrophobicContact CD1-CG1 4.36Å; L123-I144 HydrophobicContact CD1-CG2 4.14Å; L123-I144 HydrophobicContact CD2-CD1 3.91Å; L123-I144 HydrophobicContact CD2-CG1 4.42Å; L123-I144 HydrophobicContact CG-CD1 4.48Å
124	S	93.4	Very high	94.1	Very high	59 Å²	59	63.5 Å²	63.5	41%	0.413	37%	0.365	S	S	.	.	S	Bend	trans	-58.4	-37	174.6	-47.8	0	0	0	0	112.5	Y141	S124-Y141 VanDerWaalsContact OG-CE1 3.32Å; S124-Y141 WeakPolarHBondContact OG-CE1 3.47Å; S124-Y141 WeakPolarHBondContact OG-CE2 3.4Å; S124-Y141 PolarHBondContact OG-OH 2.72Å
125	F	95.7	Very high	94.1	Very high	15 Å²	15	66 Å²	66	7%	0.066	38%	0.375	C	S	.	.	S	Bend	trans	-148.5	159.2	169.3	61.2	-90.3	0	0	0	109.9	L123 A130 V133 E137 R138 Y141 I144 D145	L123-F125 WeakPolarHBondContact CB-O 3.44Å; L123-F125 PolarHBondContact O-N 3.45Å; F125-A130 HydrophobicContact CD2-CB 4.25Å; F125-A130 HydrophobicContact CE2-CB 3.95Å; F125-V133 HydrophobicContact CB-CG2 3.61Å; F125-V133 HydrophobicContact CD1-CG1 3.89Å; F125-V133 HydrophobicContact CD1-CG2 4.24Å; F125-V133 HydrophobicContact CD2-CG2 4.03Å; F125-V133 HydrophobicContact CE1-CG1 4.2Å; F125-V133 HydrophobicContact CG-CB 4.44Å; F125-V133 HydrophobicContact CG-CG1 4.22Å; F125-V133 HydrophobicContact CG-CG2 3.72Å; F125-E137 HydrophobicContact CD1-CG 4.07Å; F125-E137 HydrophobicContact CE1-CG 4.16Å; F125-R138 HydrophobicContact CZ-CG 4.28Å; F125-Y141 HydrophobicContact CE1-CD2 4.32Å; F125-Y141 HydrophobicContact CE1-CG 4.47Å; F125-I144 HydrophobicContact CD2-CG2 4.1Å; F125-I144 HydrophobicContact CE2-CB 4.29Å; F125-I144 HydrophobicContact CE2-CG2 3.75Å; F125-I144 HydrophobicContact CZ-CB 4.23Å; F125-I144 HydrophobicContact CZ-CG2 4.16Å; F125-I144 WeakPolarHBondContact O-CG2 3.33Å; F125-D145 HydrophobicContact CE2-CB 4.35Å; F125-D145 HydrophobicContact CZ-CB 4.07Å
126	L	94.3	Very high	94.1	Very high	46 Å²	46	66.4 Å²	66.4	24%	0.241	38%	0.378	C	S	.	.			trans	-87.9	146.4	174.3	-59.1	173.7	0	0	0	110.2	E81 L123 K128 D129 A130	E81-L126 HydrophobicContact CG-CD2 4.25Å; L123-L126 HydrophobicContact CD1-CD2 4.48Å; L126-K128 HydrophobicContact CB-CG 4.1Å; L126-K128 PolarHBondContact O-N 2.99Å; L126-K128 VanDerWaalsContact O-N 3.07Å; L126-D129 WeakPolarHBondContact CB-OD2 3.46Å; L126-D129 PolarHBondContact O-N 3.48Å; L126-A130 PolarHBondContact O-N 2.87Å
127	P	94.4	Very high	94.2	Very high	3 Å²	3	67.5 Å²	67.5	2%	0.019	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-54.4	-31.1	179.9	-33.8	41.4	0	0	0	115.5	D129 A130 I144 R147 S148	P127-D129 VanDerWaalsContact C-N 3.3Å; P127-A130 WeakPolarHBondContact O-CB 3.15Å; P127-I144 HydrophobicContact CG-CG2 3.76Å; P127-R147 HydrophobicContact CB-CB 3.83Å; P127-R147 HydrophobicContact CG-CB 3.73Å; P127-S148 VanDerWaalsContact O-CB 3.32Å; P127-S148 WeakPolarHBondContact O-CB 3.43Å
128	K	92.2	Very high	94.3	Very high	113 Å²	113	66.3 Å²	66.3	49%	0.491	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-70.1	-25.3	175.9	66.9	-179.7	-176	-175.6	0	113.5	L126	L126-K128 HydrophobicContact CB-CG 4.1Å; L126-K128 PolarHBondContact O-N 2.99Å; L126-K128 VanDerWaalsContact O-N 3.07Å
129	D	94.9	Very high	94.4	Very high	64 Å²	64	63.4 Å²	63.4	34%	0.342	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-95.1	-4.1	-176.6	-58.3	-42.9	0	0	0	111.7	L126 P127 A131 N132	L126-D129 WeakPolarHBondContact CB-OD2 3.46Å; L126-D129 PolarHBondContact O-N 3.48Å; P127-D129 VanDerWaalsContact C-N 3.3Å; D129-A131 PolarHBondContact O-N 2.92Å; D129-N132 PolarHBondContact O-N 2.79Å
130	A	94.9	Very high	94.5	Very high	3 Å²	3	62.3 Å²	62.3	3%	0.025	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-53.5	-32.2	-174.9	0	0	0	0	0	113.8	F125 L126 P127 N132 V133 R138	F125-A130 HydrophobicContact CD2-CB 4.25Å; F125-A130 HydrophobicContact CE2-CB 3.95Å; L126-A130 PolarHBondContact O-N 2.87Å; P127-A130 WeakPolarHBondContact O-CB 3.15Å; A130-N132 PolarHBondContact O-N 3.36Å; A130-V133 PolarHBondContact O-N 3.14Å; A130-V133 VanDerWaalsContact O-N 3.14Å; A130-R138 WeakPolarHBondContact O-CD 3.3Å
131	A	93.1	Very high	94.7	Very high	94 Å²	94	64.4 Å²	64.4	78%	0.777	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-62.8	-23.9	177.4	0	0	0	0	0	113.9	D129	D129-A131 PolarHBondContact O-N 2.92Å
132	N	95.7	Very high	95	Very high	146 Å²	146	60.3 Å²	60.3	78%	0.781	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-97.9	-1.9	179.6	-58.7	-32.1	0	0	0	112.7	D129 A130	D129-N132 PolarHBondContact O-N 2.79Å; A130-N132 PolarHBondContact O-N 3.36Å
133	V	96	Very high	95.2	Very high	27 Å²	27	60 Å²	60	16%	0.164	31%	0.308	C	S	.	.	S	Bend	trans	-93.6	142	-178.5	-178.7	0	0	0	0	109.2	F125 A130 E137 R138	F125-V133 HydrophobicContact CB-CG2 3.61Å; F125-V133 HydrophobicContact CD1-CG1 3.89Å; F125-V133 HydrophobicContact CD1-CG2 4.24Å; F125-V133 HydrophobicContact CD2-CG2 4.03Å; F125-V133 HydrophobicContact CE1-CG1 4.2Å; F125-V133 HydrophobicContact CG-CB 4.44Å; F125-V133 HydrophobicContact CG-CG1 4.22Å; F125-V133 HydrophobicContact CG-CG2 3.72Å; A130-V133 PolarHBondContact O-N 3.14Å; A130-V133 VanDerWaalsContact O-N 3.14Å; V133-E137 HydrophobicContact CG1-CB 3.8Å; V133-E137 HydrophobicContact CG1-CG 3.87Å; V133-R138 HydrophobicContact CB-CG 3.97Å; V133-R138 HydrophobicContact CG1-CG 3.95Å; V133-R138 WeakPolarHBondContact O-CD 3.41Å
134	N	95	Very high	95.3	Very high	87 Å²	87	58.2 Å²	58.2	47%	0.465	30%	0.298	S	S	.	.			trans	-62.4	150.1	177.5	69.7	80.2	0	0	0	111.5	M136 E137 R138	N134-M136 VanDerWaalsContact C-N 3.31Å; N134-M136 PolarHBondContact O-N 2.95Å; N134-M136 PolarHBondContact OD1-N 2.83Å; N134-E137 PolarHBondContact ND2-OE2 3.18Å; N134-E137 VanDerWaalsContact ND2-OE2 3.13Å; N134-E137 PolarHBondContact O-N 2.61Å; N134-E137 WeakPolarHBondContact OD1-CB 3.37Å; N134-E137 PolarHBondContact OD1-N 2.99Å; N134-R138 WeakPolarHBondContact O-CG 3.37Å; N134-R138 PolarHBondContact O-N 2.97Å; N134-R138 VanDerWaalsContact O-N 3.12Å
135	E	93.5	Very high	95.5	Very high	76 Å²	76	55.4 Å²	55.4	36%	0.355	28%	0.278	S	S	.	.	H	α-helix	trans	-59.1	-39.7	-174.9	-172.1	-176.2	-159.3	0	0	112.5	E137 R138 L139 R540	E135-E137 PolarHBondContact O-N 3.29Å; E135-R138 WeakPolarHBondContact O-CB 3.37Å; E135-R138 PolarHBondContact O-N 3.2Å; E135-L139 HydrophobicContact CG-CD1 4.08Å; E135-L139 HydrophobicContact CG-CG 4.29Å; E135-L139 WeakPolarHBondContact O-CB 3.38Å; E135-L139 VanDerWaalsContact O-CG 3.31Å; E135-L139 WeakPolarHBondContact O-CG 3.43Å; E135-L139 PolarHBondContact O-N 3.24Å; E135-R540 WeakPolarHBondContact OE1-CD 3.32Å; E135-R540 IonicContact OE1-CZ 3.43Å; E135-R540 IonicContact OE1-NE 3.73Å; E135-R540 IonicContact OE1-NH1 2.7Å; E135-R540 PolarHBondContact OE1-NH1 3.17Å; E135-R540 IonicContact OE2-NH1 3.34Å
136	M	94.2	Very high	95.6	Very high	94 Å²	94	55.9 Å²	55.9	46%	0.463	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-43	-177.6	-64.1	-63.2	-76.2	0	0	112.1	N134 L139 K140 A548 L554	N134-M136 VanDerWaalsContact C-N 3.31Å; N134-M136 PolarHBondContact O-N 2.95Å; N134-M136 PolarHBondContact OD1-N 2.83Å; M136-L139 PolarHBondContact O-N 3.22Å; M136-K140 WeakPolarHBondContact O-CB 3.47Å; M136-K140 PolarHBondContact O-N 3.38Å; M136-A548 HydrophobicContact SD-CB 4.28Å; M136-L554 HydrophobicContact CB-CD1 4.15Å; M136-L554 HydrophobicContact CE-CD1 3.35Å; M136-L554 HydrophobicContact CE-CD2 4.02Å; M136-L554 HydrophobicContact CE-CG 4.28Å; M136-L554 WeakPolarHBondContact O-CD1 3.42Å; M136-L554 HydrophobicContact SD-CD1 3.68Å
137	E	96.7	Very high	95.6	Very high	61 Å²	61	56.3 Å²	56.3	29%	0.285	28%	0.28	S	S	.	.	H	α-helix	trans	-69.2	-38.9	176.3	-175.1	169.5	-162.6	0	0	111.8	F125 V133 N134 E135 L139 K140 Y141	F125-E137 HydrophobicContact CD1-CG 4.07Å; F125-E137 HydrophobicContact CE1-CG 4.16Å; V133-E137 HydrophobicContact CG1-CB 3.8Å; V133-E137 HydrophobicContact CG1-CG 3.87Å; N134-E137 PolarHBondContact ND2-OE2 3.18Å; N134-E137 VanDerWaalsContact ND2-OE2 3.13Å; N134-E137 PolarHBondContact O-N 2.61Å; N134-E137 WeakPolarHBondContact OD1-CB 3.37Å; N134-E137 PolarHBondContact OD1-N 2.99Å; E135-E137 PolarHBondContact O-N 3.29Å; E137-L139 VanDerWaalsContact C-N 3.32Å; E137-L139 PolarHBondContact O-N 3.11Å; E137-K140 PolarHBondContact O-N 2.65Å; E137-Y141 HydrophobicContact CG-CD2 3.96Å; E137-Y141 HydrophobicContact CG-CE2 4.24Å; E137-Y141 WeakPolarHBondContact O-CD2 3.31Å; E137-Y141 PolarHBondContact O-N 3.22Å
138	R	97.2	Very high	95.6	Very high	30 Å²	30	56.6 Å²	56.6	11%	0.113	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-41.6	172.2	-69.9	173.8	65	-147.3	-15.8	112	F125 A130 V133 N134 E135 Y141 R142 D145 D541	F125-R138 HydrophobicContact CZ-CG 4.28Å; A130-R138 WeakPolarHBondContact O-CD 3.3Å; V133-R138 HydrophobicContact CB-CG 3.97Å; V133-R138 HydrophobicContact CG1-CG 3.95Å; V133-R138 WeakPolarHBondContact O-CD 3.41Å; N134-R138 WeakPolarHBondContact O-CG 3.37Å; N134-R138 PolarHBondContact O-N 2.97Å; N134-R138 VanDerWaalsContact O-N 3.12Å; E135-R138 WeakPolarHBondContact O-CB 3.37Å; E135-R138 PolarHBondContact O-N 3.2Å; R138-Y141 CarbonylContact O-C 3.44Å; R138-Y141 VanDerWaalsContact O-C 3.3Å; R138-R142 WeakPolarHBondContact O-CA 3.35Å; R138-R142 PolarHBondContact O-N 3.15Å; R138-R142 VanDerWaalsContact O-N 3.08Å; R138-D145 HydrophobicContact CB-CB 4.19Å; R138-D145 IonicContact CZ-OD1 2.66Å; R138-D145 IonicContact CZ-OD2 2.72Å; R138-D145 VanDerWaalsContact NE-CG 3.35Å; R138-D145 IonicContact NE-OD1 3.27Å; R138-D145 PolarHBondContact NE-OD1 3.03Å; R138-D145 IonicContact NE-OD2 3.57Å; R138-D145 PolarHBondContact NE-OD2 3.02Å; R138-D145 IonicContact NH2-OD1 3.8Å; R138-D145 PolarHBondContact NH2-OD1 3.24Å; R138-D145 IonicContact NH2-OD2 3.59Å; R138-D145 PolarHBondContact NH2-OD2 2.88Å; R138-D541 IonicContact CZ-OD1 3.67Å; R138-D541 IonicContact NH1-OD1 3.29Å; R138-D541 PolarHBondContact NH1-OD1 3.46Å; R138-D541 IonicContact NH2-OD1 2.82Å; R138-D541 PolarHBondContact NH2-OD1 2.87Å
139	L	96.3	Very high	95.6	Very high	9 Å²	9	55.5 Å²	55.5	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-70.7	-37.5	177	-71.2	177.6	0	0	0	112.4	E135 M136 E137 R142 P546 A548 L554	E135-L139 HydrophobicContact CG-CD1 4.08Å; E135-L139 HydrophobicContact CG-CG 4.29Å; E135-L139 WeakPolarHBondContact O-CB 3.38Å; E135-L139 VanDerWaalsContact O-CG 3.31Å; E135-L139 WeakPolarHBondContact O-CG 3.43Å; E135-L139 PolarHBondContact O-N 3.24Å; M136-L139 PolarHBondContact O-N 3.22Å; E137-L139 VanDerWaalsContact C-N 3.32Å; E137-L139 PolarHBondContact O-N 3.11Å; L139-R142 WeakPolarHBondContact O-CB 3.39Å; L139-R142 PolarHBondContact O-N 2.95Å; L139-P546 HydrophobicContact CD2-CG 3.7Å; L139-A548 HydrophobicContact CD1-CB 4.04Å; L139-L554 HydrophobicContact CB-CB 4.42Å; L139-L554 HydrophobicContact CB-CD1 3.96Å; L139-L554 HydrophobicContact CD1-CD1 4.46Å
140	K	97.5	Very high	95.6	Very high	109 Å²	109	55.4 Å²	55.4	47%	0.474	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-42.1	175	-175.8	177.5	-180	-175.3	0	112.1	M136 E137 L554 L555	M136-K140 WeakPolarHBondContact O-CB 3.47Å; M136-K140 PolarHBondContact O-N 3.38Å; E137-K140 PolarHBondContact O-N 2.65Å; K140-L554 HydrophobicContact CB-CB 4.21Å; K140-L555 WeakPolarHBondContact O-CD1 3.37Å
141	Y	97.2	Very high	95.6	Very high	60 Å²	60	55.3 Å²	55.3	24%	0.235	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	45	177.2	-57.2	-79.6	0	0	0	111.1	S124 F125 E137 R138 Y143 I144 D145	S124-Y141 VanDerWaalsContact OG-CE1 3.32Å; S124-Y141 WeakPolarHBondContact OG-CE1 3.47Å; S124-Y141 WeakPolarHBondContact OG-CE2 3.4Å; S124-Y141 PolarHBondContact OG-OH 2.72Å; F125-Y141 HydrophobicContact CE1-CD2 4.32Å; F125-Y141 HydrophobicContact CE1-CG 4.47Å; E137-Y141 HydrophobicContact CG-CD2 3.96Å; E137-Y141 HydrophobicContact CG-CE2 4.24Å; E137-Y141 WeakPolarHBondContact O-CD2 3.31Å; E137-Y141 PolarHBondContact O-N 3.22Å; R138-Y141 CarbonylContact O-C 3.44Å; R138-Y141 VanDerWaalsContact O-C 3.3Å; Y141-Y143 WeakPolarHBondContact CD1-OH 3.47Å; Y141-Y143 PolarHBondContact O-N 2.84Å; Y141-Y143 VanDerWaalsContact O-N 3.11Å; Y141-I144 WeakPolarHBondContact O-CA 3.23Å; Y141-I144 WeakPolarHBondContact O-CB 3.47Å; Y141-I144 PolarHBondContact O-N 2.83Å; Y141-D145 PolarHBondContact O-N 3.49Å
142	R	97.6	Very high	95.7	Very high	5 Å²	5	53.4 Å²	53.4	2%	0.019	26%	0.262	C	S	.	.	H	α-helix	trans	-57.3	-32.1	-171.4	-172.1	55.3	172	-164.8	-9.6	114.1	R138 L139 I144 D145 L146 R540 I543 A544 F545 L555	R138-R142 WeakPolarHBondContact O-CA 3.35Å; R138-R142 PolarHBondContact O-N 3.15Å; R138-R142 VanDerWaalsContact O-N 3.08Å; L139-R142 WeakPolarHBondContact O-CB 3.39Å; L139-R142 PolarHBondContact O-N 2.95Å; R142-I144 PolarHBondContact O-N 3.26Å; R142-D145 IonicContact CZ-OD2 3.08Å; R142-D145 IonicContact NH1-OD2 2.67Å; R142-D145 PolarHBondContact NH1-OD2 3.22Å; R142-D145 PolarHBondContact O-N 3.15Å; R142-L146 HydrophobicContact CG-CD1 4.17Å; R142-L146 HydrophobicContact CG-CG 4.18Å; R142-L146 VanDerWaalsContact O-CB 3.32Å; R142-L146 WeakPolarHBondContact O-CB 3.35Å; R142-L146 WeakPolarHBondContact O-CG 3.43Å; R142-L146 PolarHBondContact O-N 3.27Å; R142-R540 PolarHBondContact NH2-O 3.4Å; R142-I543 PolarHBondContact NH2-O 3.05Å; R142-A544 VanDerWaalsContact CG-O 3.29Å; R142-A544 WeakPolarHBondContact CG-O 3.3Å; R142-A544 PolarHBondContact NE-O 3.27Å; R142-F545 HydrophobicContact CG-CD1 4.08Å; R142-F545 HydrophobicContact CG-CE1 4.45Å; R142-L555 HydrophobicContact CB-CD2 4.45Å
143	Y	96.2	Very high	95.6	Very high	115 Å²	115	52.5 Å²	52.5	45%	0.451	25%	0.248	S	C	.	.	H	α-helix	trans	-65.8	-21.6	175.5	55.9	-93.1	0	0	0	113.8	Y141 L555	Y141-Y143 WeakPolarHBondContact CD1-OH 3.47Å; Y141-Y143 PolarHBondContact O-N 2.84Å; Y141-Y143 VanDerWaalsContact O-N 3.11Å; Y143-L555 HydrophobicContact CD1-CD1 3.53Å; Y143-L555 HydrophobicContact CE1-CD1 3.62Å
144	I	96.2	Very high	95.7	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-85.7	-45.1	170.3	-58.9	-51.2	0	0	0	110.3	L123 F125 P127 Y141 R142 L146 R147	L123-I144 HydrophobicContact CD1-CD1 3.85Å; L123-I144 HydrophobicContact CD1-CG1 4.36Å; L123-I144 HydrophobicContact CD1-CG2 4.14Å; L123-I144 HydrophobicContact CD2-CD1 3.91Å; L123-I144 HydrophobicContact CD2-CG1 4.42Å; L123-I144 HydrophobicContact CG-CD1 4.48Å; F125-I144 HydrophobicContact CD2-CG2 4.1Å; F125-I144 HydrophobicContact CE2-CB 4.29Å; F125-I144 HydrophobicContact CE2-CG2 3.75Å; F125-I144 HydrophobicContact CZ-CB 4.23Å; F125-I144 HydrophobicContact CZ-CG2 4.16Å; F125-I144 WeakPolarHBondContact O-CG2 3.33Å; P127-I144 HydrophobicContact CG-CG2 3.76Å; Y141-I144 WeakPolarHBondContact O-CA 3.23Å; Y141-I144 WeakPolarHBondContact O-CB 3.47Å; Y141-I144 PolarHBondContact O-N 2.83Å; R142-I144 PolarHBondContact O-N 3.26Å; I144-L146 VanDerWaalsContact C-N 3.26Å; I144-L146 PolarHBondContact O-N 2.92Å; I144-R147 VanDerWaalsContact O-CB 3.29Å; I144-R147 WeakPolarHBondContact O-CB 3.2Å; I144-R147 PolarHBondContact O-N 2.88Å
145	D	97.3	Very high	95.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-38	177.2	-175.1	47	0	0	0	112.3	F125 R138 Y141 R142 R147 S148 M151	F125-D145 HydrophobicContact CE2-CB 4.35Å; F125-D145 HydrophobicContact CZ-CB 4.07Å; R138-D145 HydrophobicContact CB-CB 4.19Å; R138-D145 IonicContact CZ-OD1 2.66Å; R138-D145 IonicContact CZ-OD2 2.72Å; R138-D145 VanDerWaalsContact NE-CG 3.35Å; R138-D145 IonicContact NE-OD1 3.27Å; R138-D145 PolarHBondContact NE-OD1 3.03Å; R138-D145 IonicContact NE-OD2 3.57Å; R138-D145 PolarHBondContact NE-OD2 3.02Å; R138-D145 IonicContact NH2-OD1 3.8Å; R138-D145 PolarHBondContact NH2-OD1 3.24Å; R138-D145 IonicContact NH2-OD2 3.59Å; R138-D145 PolarHBondContact NH2-OD2 2.88Å; Y141-D145 PolarHBondContact O-N 3.49Å; R142-D145 IonicContact CZ-OD2 3.08Å; R142-D145 IonicContact NH1-OD2 2.67Å; R142-D145 PolarHBondContact NH1-OD2 3.22Å; R142-D145 PolarHBondContact O-N 3.15Å; D145-R147 PolarHBondContact O-N 2.96Å; D145-R147 VanDerWaalsContact O-N 3.15Å; D145-S148 WeakPolarHBondContact O-CB 3.42Å; D145-S148 PolarHBondContact O-N 2.72Å; D145-S148 PolarHBondContact O-OG 2.89Å; D145-M151 WeakPolarHBondContact O-CB 3.46Å; D145-M151 WeakPolarHBondContact O-CG 3.32Å
146	L	97	Very high	95.9	Very high	25 Å²	25	49.7 Å²	49.7	13%	0.131	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.5	174.3	-77.6	170.6	0	0	0	112.6	R142 I144 S148 M151 Q152 I155 F545	R142-L146 HydrophobicContact CG-CD1 4.17Å; R142-L146 HydrophobicContact CG-CG 4.18Å; R142-L146 VanDerWaalsContact O-CB 3.32Å; R142-L146 WeakPolarHBondContact O-CB 3.35Å; R142-L146 WeakPolarHBondContact O-CG 3.43Å; R142-L146 PolarHBondContact O-N 3.27Å; I144-L146 VanDerWaalsContact C-N 3.26Å; I144-L146 PolarHBondContact O-N 2.92Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 3.45Å; L146-M151 HydrophobicContact CD2-CB 4.45Å; L146-M151 HydrophobicContact CD2-CE 3.87Å; L146-Q152 WeakPolarHBondContact O-CG 3.5Å; L146-Q152 PolarHBondContact O-NE2 2.89Å; L146-I155 HydrophobicContact CD2-CG1 4.31Å; L146-F545 HydrophobicContact CD1-CD1 4.43Å; L146-F545 HydrophobicContact CD1-CE1 3.71Å; L146-F545 HydrophobicContact CD1-CZ 3.8Å
147	R	95.4	Very high	96	Very high	56 Å²	56	45.6 Å²	45.6	21%	0.211	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-11.7	174	-58.4	-178.6	-172.7	172.9	1.5	112.8	R58 E81 P127 I144 D145	R58-R147 PolarHBondContact NH1-O 3.04Å; E81-R147 IonicContact OE2-CZ 3.78Å; E81-R147 IonicContact OE2-NH1 2.79Å; E81-R147 PolarHBondContact OE2-NH1 2.81Å; P127-R147 HydrophobicContact CB-CB 3.83Å; P127-R147 HydrophobicContact CG-CB 3.73Å; I144-R147 VanDerWaalsContact O-CB 3.29Å; I144-R147 WeakPolarHBondContact O-CB 3.2Å; I144-R147 PolarHBondContact O-N 2.88Å; D145-R147 PolarHBondContact O-N 2.96Å; D145-R147 VanDerWaalsContact O-N 3.15Å
148	S	94.4	Very high	96.1	Very high	8 Å²	8	44 Å²	44	6%	0.056	20%	0.198	C	C	.	.	S	Bend	trans	-63.1	148.1	177.4	70.2	0	0	0	0	110.6	P127 D145 L146 N150 M151 Q152	P127-S148 VanDerWaalsContact O-CB 3.32Å; P127-S148 WeakPolarHBondContact O-CB 3.43Å; D145-S148 WeakPolarHBondContact O-CB 3.42Å; D145-S148 PolarHBondContact O-N 2.72Å; D145-S148 PolarHBondContact O-OG 2.89Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 3.45Å; S148-N150 PolarHBondContact O-N 2.88Å; S148-M151 PolarHBondContact O-N 3.38Å; S148-M151 WeakPolarHBondContact OG-CB 3.32Å; S148-M151 WeakPolarHBondContact OG-CG 3.38Å; S148-M151 PolarHBondContact OG-N 3.38Å; S148-Q152 WeakPolarHBondContact O-CB 3.07Å; S148-Q152 VanDerWaalsContact O-CG 3.3Å; S148-Q152 WeakPolarHBondContact O-CG 3.21Å; S148-Q152 PolarHBondContact O-N 2.86Å
149	S	91.9	Very high	96.1	Very high	90 Å²	90	46.4 Å²	46.4	63%	0.629	22%	0.22	S	C	*	.	H	α-helix	trans	-59.5	-34.5	179.7	55.4	0	0	0	0	112.2	R153	S149-R153 VanDerWaalsContact O-CB 3.27Å; S149-R153 WeakPolarHBondContact O-CB 3.33Å; S149-R153 PolarHBondContact O-N 2.95Å
150	N	93.4	Very high	96.2	Very high	63 Å²	63	48 Å²	48	34%	0.337	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-51.4	176.9	-167.3	64.7	0	0	0	111.8	S148 R153 N154	S148-N150 PolarHBondContact O-N 2.88Å; N150-R153 PolarHBondContact O-N 2.9Å; N150-R153 PolarHBondContact OD1-NH1 2.82Å; N150-N154 WeakPolarHBondContact O-CB 3.26Å; N150-N154 PolarHBondContact O-N 3.3Å; N150-N154 PolarHBondContact O-OD1 3.44Å
151	M	95.9	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-42.9	178.1	-71.8	-54.8	-49.3	0	0	112.1	D145 L146 S148 R153 N154 I155 D541	D145-M151 WeakPolarHBondContact O-CB 3.46Å; D145-M151 WeakPolarHBondContact O-CG 3.32Å; L146-M151 HydrophobicContact CD2-CB 4.45Å; L146-M151 HydrophobicContact CD2-CE 3.87Å; S148-M151 PolarHBondContact O-N 3.38Å; S148-M151 WeakPolarHBondContact OG-CB 3.32Å; S148-M151 WeakPolarHBondContact OG-CG 3.38Å; S148-M151 PolarHBondContact OG-N 3.38Å; M151-R153 VanDerWaalsContact C-N 3.29Å; M151-R153 PolarHBondContact O-N 3.41Å; M151-N154 PolarHBondContact O-N 3.31Å; M151-I155 HydrophobicContact CE-CD1 4.21Å; M151-I155 HydrophobicContact CE-CG1 4.1Å; M151-I155 WeakPolarHBondContact O-CB 3.48Å; M151-I155 VanDerWaalsContact O-CG1 3.31Å; M151-I155 WeakPolarHBondContact O-CG1 3.4Å; M151-I155 PolarHBondContact O-N 2.78Å; M151-D541 WeakPolarHBondContact CE-O 3.23Å; M151-D541 HydrophobicContact SD-CB 4.24Å
152	Q	95.3	Very high	96.3	Very high	54 Å²	54	40.8 Å²	40.8	25%	0.252	20%	0.202	S	C	.	.	H	α-helix	trans	-58.7	-40.8	176.5	-72	-70.4	-59.3	0	0	112	L146 S148 R156	L146-Q152 WeakPolarHBondContact O-CG 3.5Å; L146-Q152 PolarHBondContact O-NE2 2.89Å; S148-Q152 WeakPolarHBondContact O-CB 3.07Å; S148-Q152 VanDerWaalsContact O-CG 3.3Å; S148-Q152 WeakPolarHBondContact O-CG 3.21Å; S148-Q152 PolarHBondContact O-N 2.86Å; Q152-R156 VanDerWaalsContact CD-NH1 3.34Å; Q152-R156 WeakPolarHBondContact O-CB 3.5Å; Q152-R156 WeakPolarHBondContact O-CG 3.27Å; Q152-R156 PolarHBondContact O-N 2.99Å; Q152-R156 PolarHBondContact O-NH1 3.23Å
153	R	94.4	Very high	96.4	Very high	128 Å²	128	45.7 Å²	45.7	48%	0.483	23%	0.229	S	C	.	.	H	α-helix	trans	-65.2	-52	175.7	-172.2	-166.1	-53.1	131.2	1.1	111	S149 N150 M151 I155 R156 F157	S149-R153 VanDerWaalsContact O-CB 3.27Å; S149-R153 WeakPolarHBondContact O-CB 3.33Å; S149-R153 PolarHBondContact O-N 2.95Å; N150-R153 PolarHBondContact O-N 2.9Å; N150-R153 PolarHBondContact OD1-NH1 2.82Å; M151-R153 VanDerWaalsContact C-N 3.29Å; M151-R153 PolarHBondContact O-N 3.41Å; R153-I155 PolarHBondContact O-N 3.26Å; R153-R156 PolarHBondContact O-N 3.42Å; R153-F157 VanDerWaalsContact O-CB 3.27Å; R153-F157 WeakPolarHBondContact O-CB 3.48Å; R153-F157 PolarHBondContact O-N 2.95Å
154	N	96.8	Very high	96.5	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-44.9	-175.2	-70.6	-0.3	0	0	0	112.6	N150 M151 F157 R158 D541 V542	N150-N154 WeakPolarHBondContact O-CB 3.26Å; N150-N154 PolarHBondContact O-N 3.3Å; N150-N154 PolarHBondContact O-OD1 3.44Å; M151-N154 PolarHBondContact O-N 3.31Å; N154-F157 PolarHBondContact O-N 2.91Å; N154-R158 WeakPolarHBondContact O-CB 3.02Å; N154-R158 PolarHBondContact O-N 3.09Å; N154-D541 WeakPolarHBondContact CB-O 3.47Å; N154-D541 PolarHBondContact ND2-O 3.04Å; N154-V542 HydrophobicContact CB-CG1 4.27Å
155	I	97.4	Very high	96.6	Very high	47 Å²	47	41.7 Å²	41.7	24%	0.241	21%	0.214	C	C	.	.	H	α-helix	trans	-68.2	-38	-179.5	-62.6	-61.7	0	0	0	111.6	L146 M151 R153 R158 S159 A544	L146-I155 HydrophobicContact CD2-CG1 4.31Å; M151-I155 HydrophobicContact CE-CD1 4.21Å; M151-I155 HydrophobicContact CE-CG1 4.1Å; M151-I155 WeakPolarHBondContact O-CB 3.48Å; M151-I155 VanDerWaalsContact O-CG1 3.31Å; M151-I155 WeakPolarHBondContact O-CG1 3.4Å; M151-I155 PolarHBondContact O-N 2.78Å; R153-I155 PolarHBondContact O-N 3.26Å; I155-R158 WeakPolarHBondContact O-CB 3.49Å; I155-S159 WeakPolarHBondContact O-CB 3.37Å; I155-S159 PolarHBondContact O-N 3.16Å; I155-A544 HydrophobicContact CD1-CB 4.45Å
156	R	95.6	Very high	96.7	Very high	80 Å²	80	45.5 Å²	45.5	30%	0.302	23%	0.228	S	C	.	.	H	α-helix	trans	-68.8	-43.4	174.5	-79.8	176.2	-175.8	67.4	-0.4	112.2	D60 Q152 R153 R158 S159 S160	D60-R156 VanDerWaalsContact CB-NH2 3.26Å; D60-R156 PolarHBondContact O-NH2 3.3Å; D60-R156 IonicContact OD2-CZ 2.83Å; D60-R156 IonicContact OD2-NH2 3.91Å; D60-R156 PolarHBondContact OD2-NH2 3.34Å; Q152-R156 VanDerWaalsContact CD-NH1 3.34Å; Q152-R156 WeakPolarHBondContact O-CB 3.5Å; Q152-R156 WeakPolarHBondContact O-CG 3.27Å; Q152-R156 PolarHBondContact O-N 2.99Å; Q152-R156 PolarHBondContact O-NH1 3.23Å; R153-R156 PolarHBondContact O-N 3.42Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R156-S159 WeakPolarHBondContact O-CB 3.29Å; R156-S159 PolarHBondContact O-N 3.4Å; R156-S160 PolarHBondContact O-N 2.9Å
157	F	97.4	Very high	96.7	Very high	7 Å²	7	45.8 Å²	45.8	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-50	175.9	177.9	-109.1	0	0	0	110.3	R153 N154 S159 S160 I161 T275 V276 T279 L280 I530 F533 V534	R153-F157 VanDerWaalsContact O-CB 3.27Å; R153-F157 WeakPolarHBondContact O-CB 3.48Å; R153-F157 PolarHBondContact O-N 2.95Å; N154-F157 PolarHBondContact O-N 2.91Å; F157-S159 PolarHBondContact O-N 3.31Å; F157-S160 PolarHBondContact O-N 3Å; F157-S160 VanDerWaalsContact O-N 3.14Å; F157-I161 HydrophobicContact CD1-CG1 4.33Å; F157-I161 HydrophobicContact CD2-CG1 4.2Å; F157-I161 HydrophobicContact CE1-CG1 3.95Å; F157-I161 HydrophobicContact CE2-CD1 3.85Å; F157-I161 HydrophobicContact CE2-CG1 3.82Å; F157-I161 HydrophobicContact CG-CG1 4.45Å; F157-I161 HydrophobicContact CZ-CD1 3.86Å; F157-I161 HydrophobicContact CZ-CG1 3.69Å; F157-I161 WeakPolarHBondContact O-CG1 3.4Å; F157-I161 PolarHBondContact O-N 2.92Å; F157-T275 HydrophobicContact CE2-CG2 4.37Å; F157-V276 HydrophobicContact CZ-CB 4.49Å; F157-V276 HydrophobicContact CZ-CG2 4.14Å; F157-T279 HydrophobicContact CD2-CG2 3.62Å; F157-T279 HydrophobicContact CE2-CG2 4.1Å; F157-T279 HydrophobicContact CG-CG2 4.25Å; F157-L280 HydrophobicContact CZ-CD1 4.35Å; F157-I530 HydrophobicContact CD1-CD1 4.41Å; F157-I530 HydrophobicContact CD1-CG2 4.04Å; F157-I530 HydrophobicContact CE1-CD1 4.14Å; F157-I530 HydrophobicContact CE1-CG2 4.35Å; F157-F533 HydrophobicContact CE1-CB 3.78Å; F157-F533 HydrophobicContact CE1-CD2 4.09Å; F157-F533 HydrophobicContact CE1-CG 4.45Å; F157-F533 HydrophobicContact CZ-CB 4.13Å; F157-F533 HydrophobicContact CZ-CD2 4.17Å; F157-V534 HydrophobicContact CD1-CG1 3.38Å; F157-V534 HydrophobicContact CE1-CG1 3.7Å; F157-V534 HydrophobicContact CG-CG1 4.21Å
158	R	98.1	Very high	96.9	Very high	27 Å²	27	43.8 Å²	43.8	10%	0.102	23%	0.225	C	C	.	.	H	α-helix	trans	-50.1	-53.2	171.4	-179.5	-169.7	-177.4	89.3	3.4	112.1	N154 I155 R156 S160 I161 I162 T247 D527 I530 V542	N154-R158 WeakPolarHBondContact O-CB 3.02Å; N154-R158 PolarHBondContact O-N 3.09Å; I155-R158 WeakPolarHBondContact O-CB 3.49Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R158-S160 VanDerWaalsContact C-N 3.27Å; R158-S160 PolarHBondContact O-N 3.37Å; R158-I161 PolarHBondContact O-N 2.77Å; R158-I162 HydrophobicContact CG-CD1 3.8Å; R158-I162 HydrophobicContact CG-CG1 4.47Å; R158-I162 WeakPolarHBondContact O-CG1 3.4Å; R158-I162 PolarHBondContact O-N 3.35Å; R158-T247 VanDerWaalsContact NH2-CB 3.26Å; R158-T247 PolarHBondContact NH2-OG1 3.11Å; R158-D527 IonicContact CZ-OD1 2.6Å; R158-D527 IonicContact NH1-OD1 2.74Å; R158-D527 PolarHBondContact NH1-OD1 2.92Å; R158-D527 IonicContact NH2-OD1 2.59Å; R158-D527 PolarHBondContact NH2-OD1 2.9Å; R158-I530 HydrophobicContact CB-CG2 4.12Å; R158-I530 HydrophobicContact CG-CG1 4.32Å; R158-V542 WeakPolarHBondContact CD-O 3.4Å; R158-V542 PolarHBondContact NH1-O 3.23Å
159	S	98.1	Very high	97.1	Very high	81 Å²	81	43.4 Å²	43.4	57%	0.566	22%	0.223	S	C	*	.	H	α-helix	trans	-58.4	-40.5	-178.8	-173.4	0	0	0	0	112	I155 R156 F157 L163	I155-S159 WeakPolarHBondContact O-CB 3.37Å; I155-S159 PolarHBondContact O-N 3.16Å; R156-S159 WeakPolarHBondContact O-CB 3.29Å; R156-S159 PolarHBondContact O-N 3.4Å; F157-S159 PolarHBondContact O-N 3.31Å; S159-L163 WeakPolarHBondContact O-CB 3.26Å; S159-L163 PolarHBondContact O-N 3.26Å; S159-L163 VanDerWaalsContact O-N 3.12Å
160	S	97.9	Very high	97.4	Very high	43 Å²	43	41.1 Å²	41.1	30%	0.301	21%	0.206	S	C	.	.	H	α-helix	trans	-68.8	-43.8	179.2	-169.7	0	0	0	0	112.2	R156 F157 R158 L163 Q164	R156-S160 PolarHBondContact O-N 2.9Å; F157-S160 PolarHBondContact O-N 3Å; F157-S160 VanDerWaalsContact O-N 3.14Å; R158-S160 VanDerWaalsContact C-N 3.27Å; R158-S160 PolarHBondContact O-N 3.37Å; S160-L163 PolarHBondContact O-N 2.95Å; S160-Q164 WeakPolarHBondContact O-CG 3.35Å; S160-Q164 PolarHBondContact O-N 2.66Å; S160-Q164 PolarHBondContact O-NE2 2.99Å; S160-Q164 PolarHBondContact OG-NE2 3.36Å; S160-Q164 VanDerWaalsContact OG-NE2 3.07Å
161	I	98.4	Very high	97.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-46.8	177.6	-66.5	-62.1	0	0	0	111.1	F157 R158 L163 Q164 M165 I272 T275 V276 I530	F157-I161 HydrophobicContact CD1-CG1 4.33Å; F157-I161 HydrophobicContact CD2-CG1 4.2Å; F157-I161 HydrophobicContact CE1-CG1 3.95Å; F157-I161 HydrophobicContact CE2-CD1 3.85Å; F157-I161 HydrophobicContact CE2-CG1 3.82Å; F157-I161 HydrophobicContact CG-CG1 4.45Å; F157-I161 HydrophobicContact CZ-CD1 3.86Å; F157-I161 HydrophobicContact CZ-CG1 3.69Å; F157-I161 WeakPolarHBondContact O-CG1 3.4Å; F157-I161 PolarHBondContact O-N 2.92Å; R158-I161 PolarHBondContact O-N 2.77Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 2.95Å; I161-Q164 PolarHBondContact O-N 3.23Å; I161-M165 HydrophobicContact CG2-CE 3.8Å; I161-M165 HydrophobicContact CG2-CG 4.4Å; I161-M165 HydrophobicContact CG2-SD 4.09Å; I161-M165 WeakPolarHBondContact O-CG 3.37Å; I161-M165 PolarHBondContact O-N 2.78Å; I161-I272 HydrophobicContact CD1-CB 4.17Å; I161-I272 HydrophobicContact CD1-CD1 4.37Å; I161-I272 HydrophobicContact CG2-CD1 3.9Å; I161-T275 HydrophobicContact CD1-CG2 4.09Å; I161-V276 HydrophobicContact CD1-CG2 3.77Å; I161-I530 HydrophobicContact CB-CD1 3.73Å; I161-I530 HydrophobicContact CG1-CD1 3.9Å; I161-I530 HydrophobicContact CG2-CD1 3.65Å
162	I	98.6	Very high	97.7	Very high	17 Å²	17	49.4 Å²	49.4	9%	0.087	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-42.3	178.4	-68.3	174.8	0	0	0	111.1	R158 Q164 M165 R166 V229 L526	R158-I162 HydrophobicContact CG-CD1 3.8Å; R158-I162 HydrophobicContact CG-CG1 4.47Å; R158-I162 WeakPolarHBondContact O-CG1 3.4Å; R158-I162 PolarHBondContact O-N 3.35Å; I162-Q164 VanDerWaalsContact C-N 3.33Å; I162-Q164 PolarHBondContact O-N 2.67Å; I162-M165 PolarHBondContact O-N 2.9Å; I162-R166 VanDerWaalsContact CG2-NH1 3.31Å; I162-R166 PolarHBondContact O-N 3.09Å; I162-V229 HydrophobicContact CG2-CG1 4.46Å; I162-V229 HydrophobicContact CG2-CG2 3.98Å; I162-L526 HydrophobicContact CD1-CD1 4.19Å; I162-L526 HydrophobicContact CG1-CD1 4.12Å
163	L	98.5	Very high	97.9	Very high	109 Å²	109	49 Å²	49	57%	0.571	25%	0.245	S	C	*	.	H	α-helix	trans	-60.3	-43.8	176.1	179.2	62.3	0	0	0	111.4	S159 S160 I161 R166 S167	S159-L163 WeakPolarHBondContact O-CB 3.26Å; S159-L163 PolarHBondContact O-N 3.26Å; S159-L163 VanDerWaalsContact O-N 3.12Å; S160-L163 PolarHBondContact O-N 2.95Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 2.95Å; L163-R166 WeakPolarHBondContact O-CB 3.39Å; L163-R166 PolarHBondContact O-N 3.01Å; L163-S167 PolarHBondContact O-N 2.74Å; L163-S167 PolarHBondContact O-OG 3.31Å
164	Q	98.6	Very high	98.1	Very high	33 Å²	33	45.4 Å²	45.4	15%	0.154	25%	0.248	C	C	.	.	H	α-helix	trans	-68	-37.4	178.7	-72.3	172.1	54.5	0	0	112.8	S160 I161 I162 R166 S167 F168 Y271 I272 T275	S160-Q164 WeakPolarHBondContact O-CG 3.35Å; S160-Q164 PolarHBondContact O-N 2.66Å; S160-Q164 PolarHBondContact O-NE2 2.99Å; S160-Q164 PolarHBondContact OG-NE2 3.36Å; S160-Q164 VanDerWaalsContact OG-NE2 3.07Å; I161-Q164 PolarHBondContact O-N 3.23Å; I162-Q164 VanDerWaalsContact C-N 3.33Å; I162-Q164 PolarHBondContact O-N 2.67Å; Q164-R166 VanDerWaalsContact C-N 3.34Å; Q164-S167 PolarHBondContact O-N 3.42Å; Q164-F168 WeakPolarHBondContact O-CB 3.32Å; Q164-F168 PolarHBondContact O-N 3.21Å; Q164-Y271 HydrophobicContact CB-CD1 4.47Å; Q164-Y271 HydrophobicContact CB-CE1 4.23Å; Q164-Y271 WeakPolarHBondContact O-CE1 3.44Å; Q164-I272 HydrophobicContact CB-CG2 3.8Å; Q164-T275 PolarHBondContact NE2-OG1 2.97Å; Q164-T275 PolarHBondContact OE1-OG1 3.32Å
165	M	98.7	Very high	98.2	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-44.5	172.1	-70.7	175.8	166.1	0	0	111.2	I161 I162 F168 L169 L249 M268 I272 L526 L529	I161-M165 HydrophobicContact CG2-CE 3.8Å; I161-M165 HydrophobicContact CG2-CG 4.4Å; I161-M165 HydrophobicContact CG2-SD 4.09Å; I161-M165 WeakPolarHBondContact O-CG 3.37Å; I161-M165 PolarHBondContact O-N 2.78Å; I162-M165 PolarHBondContact O-N 2.9Å; M165-F168 PolarHBondContact O-N 3.46Å; M165-L169 WeakPolarHBondContact O-CB 3.42Å; M165-L169 WeakPolarHBondContact O-CG 3.46Å; M165-L169 PolarHBondContact O-N 2.9Å; M165-L249 HydrophobicContact CB-CD2 4.24Å; M165-L249 HydrophobicContact CG-CD2 4.36Å; M165-L249 HydrophobicContact SD-CD2 3.74Å; M165-M268 HydrophobicContact CB-SD 4.08Å; M165-M268 HydrophobicContact CE-CE 4.42Å; M165-M268 HydrophobicContact CG-CG 4.25Å; M165-M268 HydrophobicContact CG-SD 3.91Å; M165-I272 HydrophobicContact CE-CD1 3.67Å; M165-I272 HydrophobicContact CG-CG2 3.95Å; M165-L526 HydrophobicContact CE-CD2 3.99Å; M165-L526 HydrophobicContact SD-CD2 3.56Å; M165-L526 VanDerWaalsContact SD-CD2 3.56Å; M165-L529 HydrophobicContact CE-CD2 3.74Å
166	R	98.5	Very high	98.2	Very high	81 Å²	81	46.6 Å²	46.6	31%	0.306	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-47.6	174	-78.3	-176.6	170.2	119.6	-2	112.3	I162 L163 Q164 F168 L169 C170 E177 M227	I162-R166 VanDerWaalsContact CG2-NH1 3.31Å; I162-R166 PolarHBondContact O-N 3.09Å; L163-R166 WeakPolarHBondContact O-CB 3.39Å; L163-R166 PolarHBondContact O-N 3.01Å; Q164-R166 VanDerWaalsContact C-N 3.34Å; R166-F168 VanDerWaalsContact C-N 3.34Å; R166-F168 PolarHBondContact O-N 2.77Å; R166-L169 PolarHBondContact O-N 3.27Å; R166-C170 VanDerWaalsContact O-CB 3.31Å; R166-C170 WeakPolarHBondContact O-CB 3.46Å; R166-C170 PolarHBondContact O-N 3.25Å; R166-E177 WeakPolarHBondContact CD-OE2 3.27Å; R166-E177 IonicContact CZ-OE1 3.45Å; R166-E177 VanDerWaalsContact CZ-OE1 3.27Å; R166-E177 IonicContact CZ-OE2 2.65Å; R166-E177 VanDerWaalsContact NE-CD 3.31Å; R166-E177 IonicContact NE-OE1 2.89Å; R166-E177 PolarHBondContact NE-OE1 3.23Å; R166-E177 IonicContact NE-OE2 3.38Å; R166-E177 PolarHBondContact NE-OE2 3.05Å; R166-E177 IonicContact NH2-OE1 2.84Å; R166-E177 PolarHBondContact NH2-OE1 3.25Å; R166-E177 IonicContact NH2-OE2 3.22Å; R166-M227 HydrophobicContact CG-CE 3.77Å
167	S	98.5	Very high	98.4	Very high	31 Å²	31	46 Å²	46	22%	0.217	26%	0.257	C	S	.	.	I	π-helix	trans	-58.9	-46.1	175.9	-66.1	0	0	0	0	111.4	L163 Q164 Q171 N172	L163-S167 PolarHBondContact O-N 2.74Å; L163-S167 PolarHBondContact O-OG 3.31Å; Q164-S167 PolarHBondContact O-N 3.42Å; S167-Q171 WeakPolarHBondContact O-CA 3.43Å; S167-Q171 WeakPolarHBondContact O-CB 3.29Å; S167-Q171 PolarHBondContact O-N 3.34Å; S167-N172 PolarHBondContact O-N 3.14Å
168	F	98.8	Very high	98.4	Very high	14 Å²	14	47.2 Å²	47.2	6%	0.061	26%	0.264	C	S	.	.	I	π-helix	trans	-59.9	-50.8	177.6	178.4	-97.7	0	0	0	112.3	Q164 M165 R166 N172 N173 I264 N267 M268 Y271	Q164-F168 WeakPolarHBondContact O-CB 3.32Å; Q164-F168 PolarHBondContact O-N 3.21Å; M165-F168 PolarHBondContact O-N 3.46Å; R166-F168 VanDerWaalsContact C-N 3.34Å; R166-F168 PolarHBondContact O-N 2.77Å; F168-N172 WeakPolarHBondContact O-CB 3.48Å; F168-N172 PolarHBondContact O-N 2.93Å; F168-N173 WeakPolarHBondContact CE1-ND2 3.45Å; F168-N173 WeakPolarHBondContact CE2-ND2 3.31Å; F168-N173 WeakPolarHBondContact CZ-ND2 3.5Å; F168-N173 PolarHBondContact O-N 3.07Å; F168-N173 PolarHBondContact O-ND2 2.95Å; F168-I264 HydrophobicContact CE1-CD1 3.6Å; F168-I264 HydrophobicContact CE1-CG1 4.2Å; F168-I264 WeakPolarHBondContact CE1-O 3.35Å; F168-I264 HydrophobicContact CZ-CD1 3.95Å; F168-N267 HydrophobicContact CE2-CB 4.2Å; F168-N267 HydrophobicContact CZ-CB 3.66Å; F168-M268 HydrophobicContact CD1-CB 3.48Å; F168-M268 VanDerWaalsContact CD1-CB 3.48Å; F168-M268 HydrophobicContact CD1-CG 3.61Å; F168-M268 HydrophobicContact CD1-SD 4.4Å; F168-M268 VanDerWaalsContact CE1-CA 3.48Å; F168-M268 HydrophobicContact CE1-CB 3.44Å; F168-M268 VanDerWaalsContact CE1-CB 3.44Å; F168-M268 HydrophobicContact CE1-CG 4.12Å; F168-M268 HydrophobicContact CG-CB 4.26Å; F168-M268 HydrophobicContact CG-CG 4.2Å; F168-M268 HydrophobicContact CZ-CB 4.19Å; F168-Y271 HydrophobicContact CB-CD1 3.63Å; F168-Y271 HydrophobicContact CB-CE1 3.96Å; F168-Y271 HydrophobicContact CB-CG 4.01Å; F168-Y271 HydrophobicContact CD2-CD1 4.06Å; F168-Y271 AromaticContact CD2-CD2 3.77Å; F168-Y271 HydrophobicContact CD2-CD2 3.77Å; F168-Y271 HydrophobicContact CD2-CE2 4.5Å; F168-Y271 AromaticContact CD2-CG 3.5Å; F168-Y271 HydrophobicContact CD2-CG 3.5Å; F168-Y271 HydrophobicContact CE2-CG 4.39Å; F168-Y271 HydrophobicContact CG-CD1 4.22Å; F168-Y271 HydrophobicContact CG-CG 4.1Å
169	L	98.8	Very high	98.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.295	C	S	.	.	I	π-helix	trans	-71.3	-56.4	-175.9	-67	168.5	0	0	0	111.1	M165 R166 N173 G174 F175 M227 L249 I251 I264 M268	M165-L169 WeakPolarHBondContact O-CB 3.42Å; M165-L169 WeakPolarHBondContact O-CG 3.46Å; M165-L169 PolarHBondContact O-N 2.9Å; R166-L169 PolarHBondContact O-N 3.27Å; L169-N173 CarbonylContact O-C 3.51Å; L169-N173 VanDerWaalsContact O-C 3.3Å; L169-N173 WeakPolarHBondContact O-CA 3.45Å; L169-N173 WeakPolarHBondContact O-CB 3.24Å; L169-N173 PolarHBondContact O-N 2.97Å; L169-G174 PolarHBondContact O-N 3.29Å; L169-G174 VanDerWaalsContact O-N 3.12Å; L169-F175 HydrophobicContact CB-CB 3.98Å; L169-F175 HydrophobicContact CB-CD2 3.89Å; L169-F175 HydrophobicContact CB-CG 3.98Å; L169-F175 HydrophobicContact CD2-CD2 3.82Å; L169-F175 HydrophobicContact CD2-CE2 3.68Å; L169-F175 HydrophobicContact CD2-CG 4.27Å; L169-F175 HydrophobicContact CD2-CZ 4.07Å; L169-F175 HydrophobicContact CG-CD2 4.48Å; L169-F175 WeakPolarHBondContact O-CB 3.45Å; L169-F175 VanDerWaalsContact O-CD2 3.28Å; L169-F175 WeakPolarHBondContact O-CD2 3.4Å; L169-F175 PolarHBondContact O-N 2.83Å; L169-M227 HydrophobicContact CB-CE 4.44Å; L169-M227 HydrophobicContact CB-CG 4.31Å; L169-M227 HydrophobicContact CD1-CB 4.11Å; L169-M227 HydrophobicContact CD1-CE 3.7Å; L169-M227 HydrophobicContact CD1-CG 4.36Å; L169-L249 HydrophobicContact CD1-CD1 3.9Å; L169-L249 HydrophobicContact CD1-CD2 4.05Å; L169-L249 HydrophobicContact CD1-CG 4.46Å; L169-I251 HydrophobicContact CD1-CD1 3.82Å; L169-I251 HydrophobicContact CD1-CG1 4.15Å; L169-I251 HydrophobicContact CD2-CD1 3.89Å; L169-I264 HydrophobicContact CD2-CG1 4.24Å; L169-M268 HydrophobicContact CD1-SD 3.91Å; L169-M268 HydrophobicContact CD2-SD 4.23Å; L169-M268 HydrophobicContact CG-SD 4.05Å
170	C	98.6	Very high	98.3	Very high	42 Å²	42	50.4 Å²	50.4	28%	0.284	27%	0.272	S	S	.	.	I	π-helix	trans	-76.6	-50.7	-171.8	-61.5	0	0	0	0	112.4	R166 G174 F175	R166-C170 VanDerWaalsContact O-CB 3.31Å; R166-C170 WeakPolarHBondContact O-CB 3.46Å; R166-C170 PolarHBondContact O-N 3.25Å; C170-G174 PolarHBondContact O-N 3.32Å; C170-F175 VanDerWaalsContact CA-O 3.28Å; C170-F175 WeakPolarHBondContact CA-O 3.42Å; C170-F175 WeakPolarHBondContact CB-O 3.39Å; C170-F175 PolarHBondContact SG-O 3.44Å
171	Q	97.6	Very high	98.3	Very high	155 Å²	155	51.5 Å²	51.5	72%	0.724	28%	0.278	S	S	*	.	I	π-helix	trans	-77.9	-39.2	-173.8	-173.4	179.8	-20.5	0	0	112.3	S167	S167-Q171 WeakPolarHBondContact O-CA 3.43Å; S167-Q171 WeakPolarHBondContact O-CB 3.29Å; S167-Q171 PolarHBondContact O-N 3.34Å
172	N	98.2	Very high	98.2	Very high	82 Å²	82	55.8 Å²	55.8	44%	0.439	30%	0.295	S	S	.	.	I	π-helix	trans	-97.3	-26.8	-174	-53.1	-7.7	0	0	0	113.4	S167 F168 Y271	S167-N172 PolarHBondContact O-N 3.14Å; F168-N172 WeakPolarHBondContact O-CB 3.48Å; F168-N172 PolarHBondContact O-N 2.93Å; N172-Y271 WeakPolarHBondContact ND2-CE2 3.42Å
173	N	98.4	Very high	98.1	Very high	45 Å²	45	59.2 Å²	59.2	24%	0.241	31%	0.313	C	S	.	.	H	α-helix	trans	-120.2	4	-171.8	-71.5	-82.8	0	0	0	114.7	F168 L169 F175 K225 I264	F168-N173 WeakPolarHBondContact CE1-ND2 3.45Å; F168-N173 WeakPolarHBondContact CE2-ND2 3.31Å; F168-N173 WeakPolarHBondContact CZ-ND2 3.5Å; F168-N173 PolarHBondContact O-N 3.07Å; F168-N173 PolarHBondContact O-ND2 2.95Å; L169-N173 CarbonylContact O-C 3.51Å; L169-N173 VanDerWaalsContact O-C 3.3Å; L169-N173 WeakPolarHBondContact O-CA 3.45Å; L169-N173 WeakPolarHBondContact O-CB 3.24Å; L169-N173 PolarHBondContact O-N 2.97Å; N173-F175 HydrophobicContact CB-CD2 3.79Å; N173-F175 HydrophobicContact CB-CE2 3.85Å; N173-F175 PolarHBondContact O-N 3.04Å; N173-K225 WeakPolarHBondContact O-CD 3.46Å; N173-K225 PolarHBondContact O-NZ 3.12Å; N173-I264 HydrophobicContact CB-CD1 4.02Å; N173-I264 WeakPolarHBondContact OD1-CD1 3.4Å
174	G	97.9	Very high	97.9	Very high	53 Å²	53	55.4 Å²	55.4	55%	0.546	29%	0.292	S	S	.	.			trans	71.9	25.3	171.7	0	0	0	0	0	114.6	L169 C170	L169-G174 PolarHBondContact O-N 3.29Å; L169-G174 VanDerWaalsContact O-N 3.12Å; C170-G174 PolarHBondContact O-N 3.32Å
175	F	98.7	Very high	97.5	Very high	7 Å²	7	56.6 Å²	56.6	3%	0.031	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-74.5	142.6	171.1	-74.3	-98.5	0	0	0	111.3	L169 C170 N173 K225 Y226 M227 I251 M253 I264	L169-F175 HydrophobicContact CB-CB 3.98Å; L169-F175 HydrophobicContact CB-CD2 3.89Å; L169-F175 HydrophobicContact CB-CG 3.98Å; L169-F175 HydrophobicContact CD2-CD2 3.82Å; L169-F175 HydrophobicContact CD2-CE2 3.68Å; L169-F175 HydrophobicContact CD2-CG 4.27Å; L169-F175 HydrophobicContact CD2-CZ 4.07Å; L169-F175 HydrophobicContact CG-CD2 4.48Å; L169-F175 WeakPolarHBondContact O-CB 3.45Å; L169-F175 VanDerWaalsContact O-CD2 3.28Å; L169-F175 WeakPolarHBondContact O-CD2 3.4Å; L169-F175 PolarHBondContact O-N 2.83Å; C170-F175 VanDerWaalsContact CA-O 3.28Å; C170-F175 WeakPolarHBondContact CA-O 3.42Å; C170-F175 WeakPolarHBondContact CB-O 3.39Å; C170-F175 PolarHBondContact SG-O 3.44Å; N173-F175 HydrophobicContact CB-CD2 3.79Å; N173-F175 HydrophobicContact CB-CE2 3.85Å; N173-F175 PolarHBondContact O-N 3.04Å; F175-K225 HydrophobicContact CB-CB 4.45Å; F175-K225 HydrophobicContact CD1-CB 3.66Å; F175-K225 HydrophobicContact CD2-CB 4.4Å; F175-K225 HydrophobicContact CD2-CD 4.15Å; F175-K225 HydrophobicContact CE1-CB 3.88Å; F175-K225 HydrophobicContact CE1-CD 4.49Å; F175-K225 HydrophobicContact CE1-CG 4.35Å; F175-K225 HydrophobicContact CE2-CD 4.02Å; F175-K225 HydrophobicContact CG-CB 3.94Å; F175-K225 HydrophobicContact CZ-CB 4.41Å; F175-K225 HydrophobicContact CZ-CD 4.21Å; F175-K225 HydrophobicContact CZ-CG 4.49Å; F175-Y226 WeakPolarHBondContact CD1-O 3.42Å; F175-M227 HydrophobicContact CB-CB 4.27Å; F175-M227 HydrophobicContact CB-CG 3.88Å; F175-M227 HydrophobicContact CD1-CB 4.13Å; F175-I251 HydrophobicContact CE1-CG2 3.58Å; F175-I251 HydrophobicContact CZ-CG2 4.03Å; F175-M253 HydrophobicContact CE1-CG 3.6Å; F175-M253 HydrophobicContact CE1-SD 4.09Å; F175-M253 HydrophobicContact CZ-CE 4.03Å; F175-M253 HydrophobicContact CZ-CG 3.72Å; F175-M253 HydrophobicContact CZ-SD 3.57Å; F175-M253 VanDerWaalsContact CZ-SD 3.57Å; F175-I264 HydrophobicContact CE2-CD1 4.04Å; F175-I264 HydrophobicContact CE2-CG1 4Å; F175-I264 HydrophobicContact CZ-CG1 4.09Å
176	T	98.6	Very high	97	Very high	68 Å²	68	61.3 Å²	61.3	42%	0.417	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.6	169.5	-55.2	0	0	0	0	109.1	I178 K225 M227	T176-I178 HydrophobicContact CG2-CD1 4.04Å; T176-I178 HydrophobicContact CG2-CG1 3.7Å; T176-I178 PolarHBondContact O-N 3.28Å; T176-K225 PolarHBondContact N-O 3.31Å; T176-M227 PolarHBondContact O-N 2.68Å
177	E	98.5	Very high	96.3	Very high	67 Å²	67	58.8 Å²	58.8	31%	0.313	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	119.7	169.7	-172.4	161.3	-163.6	0	0	109.3	R166 M227	R166-E177 WeakPolarHBondContact CD-OE2 3.27Å; R166-E177 IonicContact CZ-OE1 3.45Å; R166-E177 VanDerWaalsContact CZ-OE1 3.27Å; R166-E177 IonicContact CZ-OE2 2.65Å; R166-E177 VanDerWaalsContact NE-CD 3.31Å; R166-E177 IonicContact NE-OE1 2.89Å; R166-E177 PolarHBondContact NE-OE1 3.23Å; R166-E177 IonicContact NE-OE2 3.38Å; R166-E177 PolarHBondContact NE-OE2 3.05Å; R166-E177 IonicContact NH2-OE1 2.84Å; R166-E177 PolarHBondContact NH2-OE1 3.25Å; R166-E177 IonicContact NH2-OE2 3.22Å; E177-M227 VanDerWaalsContact CA-O 3.25Å; E177-M227 WeakPolarHBondContact CA-O 3.48Å; E177-M227 HydrophobicContact CB-CG 4.34Å; E177-M227 HydrophobicContact CB-SD 3.51Å; E177-M227 VanDerWaalsContact CB-SD 3.51Å; E177-M227 HydrophobicContact CG-SD 3.53Å; E177-M227 VanDerWaalsContact CG-SD 3.53Å
178	I	98.4	Very high	95.3	Very high	33 Å²	33	58.5 Å²	58.5	17%	0.169	31%	0.312	C	S	.	.			trans	-129.4	126.3	179.9	-53.5	175.3	0	0	0	109	T176 L218 F223 Y226 M227 Q228	T176-I178 HydrophobicContact CG2-CD1 4.04Å; T176-I178 HydrophobicContact CG2-CG1 3.7Å; T176-I178 PolarHBondContact O-N 3.28Å; I178-L218 HydrophobicContact CB-CD1 4.19Å; I178-L218 HydrophobicContact CD1-CD1 4.11Å; I178-L218 HydrophobicContact CD1-CD2 4.01Å; I178-L218 HydrophobicContact CG2-CD1 4.04Å; I178-L218 HydrophobicContact CG2-CD2 4.35Å; I178-F223 HydrophobicContact CD1-CB 4.25Å; I178-F223 HydrophobicContact CD1-CD1 3.68Å; I178-F223 HydrophobicContact CD1-CD2 3.92Å; I178-F223 HydrophobicContact CD1-CE1 3.93Å; I178-F223 HydrophobicContact CD1-CE2 4.18Å; I178-F223 HydrophobicContact CD1-CG 3.68Å; I178-F223 HydrophobicContact CD1-CZ 4.18Å; I178-Y226 HydrophobicContact CB-CD2 3.78Å; I178-Y226 HydrophobicContact CB-CE2 3.75Å; I178-Y226 HydrophobicContact CD1-CD2 4.25Å; I178-Y226 HydrophobicContact CG1-CD2 4.19Å; I178-Y226 WeakPolarHBondContact O-CE2 3.33Å; I178-M227 PolarHBondContact N-O 3.46Å; I178-M227 VanDerWaalsContact N-O 3.13Å; I178-Q228 WeakPolarHBondContact O-CB 3.47Å; I178-Q228 WeakPolarHBondContact O-CG 3.49Å; I178-Q228 PolarHBondContact O-OE1 2.92Å
179	E	97.6	Very high	94	Very high	162 Å²	162	60.2 Å²	60.2	76%	0.757	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-81.5	128.6	173.7	-66.7	-175.3	-173.8	0	0	110.6
180	T	97.4	Very high	92.8	Very high	13 Å²	13	62.3 Å²	62.3	8%	0.08	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-101.5	151.8	176.8	58.6	0	0	0	0	111.7	P211 F214 L218 Y226 Q228	T180-P211 HydrophobicContact CG2-CB 4.28Å; T180-P211 VanDerWaalsContact OG1-CB 3.28Å; T180-P211 WeakPolarHBondContact OG1-CB 3.49Å; T180-F214 HydrophobicContact CG2-CB 3.52Å; T180-F214 HydrophobicContact CG2-CG 4.28Å; T180-L218 HydrophobicContact CG2-CD1 4.33Å; T180-Y226 HydrophobicContact CG2-CE2 4.26Å; T180-Q228 PolarHBondContact OG1-OE1 3.47Å
181	P	97.2	Very high	92	Very high	67 Å²	67	61.9 Å²	61.9	44%	0.435	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-61.3	141.7	-177.1	-24.8	34.3	0	0	0	114.6	F214	P181-F214 HydrophobicContact CB-CE2 4.13Å; P181-F214 HydrophobicContact CB-CZ 4.11Å; P181-F214 HydrophobicContact CG-CE1 4.25Å; P181-F214 HydrophobicContact CG-CE2 4.14Å; P181-F214 HydrophobicContact CG-CZ 3.84Å
182	Y	96.2	Very high	91.5	Very high	90 Å²	90	62.7 Å²	62.7	35%	0.353	35%	0.351	S	S	.	.	S	Bend	trans	-93.6	-16.8	172.3	-56.3	-38.4	0	0	0	114.4	L207 P208 R231 F233	Y182-L207 WeakPolarHBondContact O-CD2 3.23Å; Y182-P208 HydrophobicContact CD1-CG 4.23Å; Y182-P208 WeakPolarHBondContact O-CD 3.49Å; Y182-R231 HydrophobicContact CE1-CB 4.23Å; Y182-F233 HydrophobicContact CD1-CE2 4.42Å; Y182-F233 HydrophobicContact CG-CE2 4.46Å
183	L	96.6	Very high	91.2	Very high	89 Å²	89	59.7 Å²	59.7	47%	0.466	33%	0.334	S	S	.	.	S	Bend	trans	-95.3	100.6	172.2	-62.5	-179.4	0	0	0	107.8	V196 Y205 L207	L183-V196 HydrophobicContact CD2-CB 4.22Å; L183-V196 HydrophobicContact CD2-CG1 4Å; L183-V196 HydrophobicContact CD2-CG2 4.19Å; L183-Y205 HydrophobicContact CB-CD1 4.01Å; L183-Y205 HydrophobicContact CB-CD2 4.16Å; L183-Y205 HydrophobicContact CB-CE1 4.48Å; L183-Y205 HydrophobicContact CB-CG 3.85Å; L183-Y205 HydrophobicContact CD1-CD2 4.13Å; L183-Y205 HydrophobicContact CD1-CE2 4.26Å; L183-Y205 HydrophobicContact CD2-CD2 4.29Å; L183-Y205 HydrophobicContact CD2-CG 4.37Å; L183-Y205 HydrophobicContact CG-CD2 4.43Å; L183-L207 HydrophobicContact CD2-CD2 4.36Å
184	F	94.3	Very high	91	Very high	28 Å²	28	60.9 Å²	60.9	12%	0.123	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-125.1	-171.9	-175.4	-164.8	-128.1	0	0	0	111.6	Y205 C206 Q213 F214 Y507	F184-Y205 CarbonylContact O-C 3.45Å; F184-Y205 VanDerWaalsContact O-CA 3.27Å; F184-Y205 WeakPolarHBondContact O-CA 3.18Å; F184-C206 PolarHBondContact N-O 2.98Å; F184-C206 PolarHBondContact O-N 2.73Å; F184-Q213 HydrophobicContact CZ-CB 4.34Å; F184-F214 HydrophobicContact CB-CE2 4.47Å; F184-F214 HydrophobicContact CD2-CE1 4.37Å; F184-F214 AromaticContact CD2-CE2 3.45Å; F184-F214 HydrophobicContact CD2-CE2 3.45Å; F184-F214 VanDerWaalsContact CD2-CE2 3.45Å; F184-F214 AromaticContact CD2-CZ 3.29Å; F184-F214 HydrophobicContact CD2-CZ 3.29Å; F184-F214 HydrophobicContact CE2-CE1 4.01Å; F184-F214 AromaticContact CE2-CE2 3.66Å; F184-F214 HydrophobicContact CE2-CE2 3.66Å; F184-F214 AromaticContact CE2-CZ 3.31Å; F184-F214 HydrophobicContact CE2-CZ 3.31Å; F184-F214 AromaticContact CG-CE2 3.91Å; F184-F214 HydrophobicContact CG-CE2 3.91Å; F184-F214 HydrophobicContact CG-CZ 4.21Å; F184-F214 HydrophobicContact CZ-CE2 4.28Å; F184-F214 HydrophobicContact CZ-CZ 4.24Å; F184-Y507 HydrophobicContact CZ-CE2 4.49Å; F184-Y507 WeakPolarHBondContact CZ-OH 3.5Å
185	K	90.6	Very high	90.9	Very high	59 Å²	59	62.7 Å²	62.7	26%	0.257	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-98.2	171.6	169.3	65.5	177.4	-67.3	164.9	0	110.3	T187 E504 Y507	K185-T187 PolarHBondContact O-N 3.18Å; K185-E504 WeakPolarHBondContact CE-O 3.43Å; K185-E504 WeakPolarHBondContact CE-OE2 3.19Å; K185-E504 PolarHBondContact NZ-O 3.39Å; K185-E504 IonicContact NZ-OE2 3.89Å; K185-E504 PolarHBondContact NZ-OE2 2.79Å; K185-Y507 HydrophobicContact CD-CE1 3.71Å
186	I	87.7	Confident	90.7	Very high	102 Å²	102	64.2 Å²	64.2	52%	0.523	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-62.8	135.2	178.1	-166.1	166.3	0	0	0	111.8	E193	I186-E193 VanDerWaalsContact CA-OE2 3.24Å; I186-E193 WeakPolarHBondContact CA-OE2 3.28Å
187	T	84.1	Confident	90.5	Very high	28 Å²	28	63 Å²	63	17%	0.172	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-93.4	123.5	174.8	-54.5	0	0	0	0	111.1	K185 E193	K185-T187 PolarHBondContact O-N 3.18Å; T187-E193 VanDerWaalsContact CB-OE1 3.27Å; T187-E193 WeakPolarHBondContact CB-OE1 3.15Å; T187-E193 PolarHBondContact N-OE1 3.19Å; T187-E193 PolarHBondContact N-OE2 3.36Å; T187-E193 PolarHBondContact OG1-OE1 3.35Å
188	P	77.1	Confident	90.4	Very high	25 Å²	25	60.4 Å²	60.4	16%	0.162	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	146.6	173.4	-22.4	33.7	0	0	0	112.9	G190 E500 M505	P188-G190 PolarHBondContact O-N 3.46Å; P188-G190 VanDerWaalsContact O-N 3.16Å; P188-E500 VanDerWaalsContact CB-CD 3.41Å; P188-E500 HydrophobicContact CB-CG 4.34Å; P188-E500 WeakPolarHBondContact CB-OE1 3.19Å; P188-E500 VanDerWaalsContact CB-OE2 3.28Å; P188-E500 WeakPolarHBondContact CB-OE2 3.18Å; P188-M505 HydrophobicContact CG-CG 4.09Å; P188-M505 HydrophobicContact CG-SD 3.89Å
189	G	71.3	Confident	90.1	Very high	49 Å²	49	65.1 Å²	65.1	51%	0.505	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	7.2	172.9	0	0	0	0	0	116.6	E500	G189-E500 WeakPolarHBondContact CA-OE1 3.37Å; G189-E500 PolarHBondContact N-OE1 3.16Å; G189-E500 VanDerWaalsContact N-OE1 3.14Å
190	G	73.7	Confident	89.9	Confident	44 Å²	44	63.7 Å²	63.7	45%	0.454	34%	0.34	S	S	.	.	S	Bend	trans	-88.1	-172.8	-178.7	0	0	0	0	0	115.3	P188	P188-G190 PolarHBondContact O-N 3.46Å; P188-G190 VanDerWaalsContact O-N 3.16Å
191	A	80.9	Confident	89.7	Confident	33 Å²	33	67.9 Å²	67.9	27%	0.273	37%	0.367	S	S	.	.	S	Bend	trans	-64.1	-173.4	165.4	0	0	0	0	0	110.5	Q209 R234 E236	A191-Q209 VanDerWaalsContact CA-NE2 3.28Å; A191-Q209 VanDerWaalsContact CB-NE2 3.32Å; A191-Q209 PolarHBondContact O-NE2 2.89Å; A191-R234 HydrophobicContact CB-CB 4.49Å; A191-R234 HydrophobicContact CB-CG 4.05Å; A191-E236 WeakPolarHBondContact CB-OE1 3.4Å
192	R	87.8	Confident	89.3	Confident	172 Å²	172	67.8 Å²	67.8	65%	0.649	38%	0.379	S	S	*	.			trans	-76.7	138	168.4	-163.1	178.3	-172	-166.7	5.3	110.9	Q209 D235	R192-Q209 VanDerWaalsContact C-NE2 3.28Å; R192-Q209 PolarHBondContact O-NE2 3.43Å; R192-Q209 VanDerWaalsContact O-NE2 3.13Å; R192-D235 HydrophobicContact CB-CB 4.06Å; R192-D235 WeakPolarHBondContact CB-O 3.2Å; R192-D235 WeakPolarHBondContact CD-OD2 3.26Å; R192-D235 HydrophobicContact CG-CB 3.95Å; R192-D235 IonicContact CZ-OD2 2.98Å; R192-D235 IonicContact NE-OD2 3.46Å; R192-D235 PolarHBondContact NE-OD2 2.86Å; R192-D235 IonicContact NH1-OD2 2.85Å; R192-D235 PolarHBondContact NH1-OD2 2.91Å; R192-D235 PolarHBondContact O-N 3.34Å
193	E	92.2	Very high	89.2	Confident	19 Å²	19	68.7 Å²	68.7	9%	0.089	39%	0.389	C	S	.	.			trans	-104.9	147.2	179.6	-65.3	-176.4	162.9	0	0	111.7	I186 T187 C206 Q209	I186-E193 VanDerWaalsContact CA-OE2 3.24Å; I186-E193 WeakPolarHBondContact CA-OE2 3.28Å; T187-E193 VanDerWaalsContact CB-OE1 3.27Å; T187-E193 WeakPolarHBondContact CB-OE1 3.15Å; T187-E193 PolarHBondContact N-OE1 3.19Å; T187-E193 PolarHBondContact N-OE2 3.36Å; T187-E193 PolarHBondContact OG1-OE1 3.35Å; E193-C206 HydrophobicContact CB-CB 4.3Å; E193-C206 WeakPolarHBondContact OE2-CB 3.35Å; E193-Q209 HydrophobicContact CG-CG 3.58Å
194	F	94.6	Very high	89.1	Confident	71 Å²	71	70.4 Å²	70.4	31%	0.311	39%	0.39	S	S	.	.			trans	-75.9	132.6	166.9	-70.2	-79.4	0	0	0	109.6	C206 L207 F233 R234 D235 P244	F194-C206 CarbonylContact O-C 3.3Å; F194-C206 WeakPolarHBondContact O-CA 3.35Å; F194-L207 HydrophobicContact CB-CB 4.35Å; F194-L207 HydrophobicContact CB-CD1 4.06Å; F194-L207 HydrophobicContact CB-CG 4.32Å; F194-L207 PolarHBondContact O-N 2.89Å; F194-F233 HydrophobicContact CD2-CB 4.09Å; F194-R234 VanDerWaalsContact CE2-C 3.45Å; F194-R234 VanDerWaalsContact CE2-O 3.31Å; F194-R234 WeakPolarHBondContact CE2-O 3.19Å; F194-D235 HydrophobicContact CD1-CB 4.07Å; F194-D235 HydrophobicContact CD2-CB 4.1Å; F194-D235 HydrophobicContact CE1-CB 3.96Å; F194-D235 WeakPolarHBondContact CE1-OD1 3.49Å; F194-D235 HydrophobicContact CE2-CB 4.03Å; F194-D235 HydrophobicContact CG-CB 4.14Å; F194-D235 HydrophobicContact CZ-CB 3.95Å; F194-P244 HydrophobicContact CE2-CB 4Å; F194-P244 HydrophobicContact CZ-CB 3.96Å
195	V	94.7	Very high	89.2	Confident	90 Å²	90	73.8 Å²	73.8	55%	0.545	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	146.4	173.4	-62.6	0	0	0	0	110.9	W204 Y205	V195-W204 HydrophobicContact CB-CE3 4.3Å; V195-W204 HydrophobicContact CG2-CE3 4.24Å; V195-W204 HydrophobicContact CG2-CZ3 4.49Å; V195-Y205 CarbonylContact C-O 3.55Å; V195-Y205 WeakPolarHBondContact CA-O 3.49Å
196	V	95.6	Very high	89.4	Confident	40 Å²	40	71.4 Å²	71.4	24%	0.242	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124	177.4	-178.4	0	0	0	0	108.4	L183 Y205 L207	L183-V196 HydrophobicContact CD2-CB 4.22Å; L183-V196 HydrophobicContact CD2-CG1 4Å; L183-V196 HydrophobicContact CD2-CG2 4.19Å; V196-Y205 PolarHBondContact N-O 2.98Å; V196-Y205 PolarHBondContact O-N 2.83Å; V196-L207 HydrophobicContact CG2-CD1 4.41Å; V196-L207 HydrophobicContact CG2-CD2 3.72Å; V196-L207 HydrophobicContact CG2-CG 3.75Å
197	P	94.7	Very high	89.9	Confident	43 Å²	43	68.1 Å²	68.1	28%	0.279	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	153.8	-175.8	30.7	-37.2	0	0	0	112.7	W204 Y570 I572	P197-W204 HydrophobicContact CB-CE3 4.04Å; P197-W204 HydrophobicContact CB-CZ3 3.72Å; P197-Y570 HydrophobicContact CB-CD1 4.23Å; P197-Y570 HydrophobicContact CB-CD2 4.36Å; P197-Y570 HydrophobicContact CB-CG 4Å; P197-Y570 HydrophobicContact CG-CD2 4.17Å; P197-Y570 HydrophobicContact CG-CE2 4.36Å; P197-Y570 HydrophobicContact CG-CG 4.28Å; P197-I572 HydrophobicContact CB-CD1 3.6Å; P197-I572 HydrophobicContact CG-CD1 4.32Å
198	T	94.8	Very high	90.4	Very high	12 Å²	12	67.2 Å²	67.2	7%	0.074	37%	0.371	C	S	.	.			trans	-125.6	163	174.4	83.6	0	0	0	0	111.1	F200 L203 Y205 Y570	T198-F200 PolarHBondContact O-N 2.99Å; T198-F200 PolarHBondContact OG1-N 3.13Å; T198-F200 VanDerWaalsContact OG1-N 3.14Å; T198-F200 PolarHBondContact OG1-O 2.8Å; T198-L203 WeakPolarHBondContact CB-O 3.27Å; T198-L203 WeakPolarHBondContact CG2-O 3.27Å; T198-L203 PolarHBondContact OG1-O 2.84Å; T198-Y205 HydrophobicContact CG2-CD2 3.43Å; T198-Y205 VanDerWaalsContact CG2-CD2 3.43Å; T198-Y205 HydrophobicContact CG2-CE2 3.47Å; T198-Y205 VanDerWaalsContact CG2-CE2 3.47Å; T198-Y205 HydrophobicContact CG2-CG 4.2Å; T198-Y570 VanDerWaalsContact C-CD1 3.46Å; T198-Y570 WeakPolarHBondContact O-CD1 3.4Å
199	K	93.8	Very high	91.1	Very high	132 Å²	132	66.8 Å²	66.8	57%	0.574	37%	0.367	S	S	*	.	S	Bend	trans	-72.8	-9.1	174.1	-61.1	-171.5	-177.9	-170.2	0	112.9	P201 Q569 Y570	K199-P201 WeakPolarHBondContact O-CD 3.26Å; K199-Q569 HydrophobicContact CD-CG 4.39Å; K199-Q569 VanDerWaalsContact CE-NE2 3.29Å; K199-Q569 HydrophobicContact CG-CG 4.36Å; K199-Y570 HydrophobicContact CG-CD1 4.23Å; K199-Y570 HydrophobicContact CG-CE1 4.1Å
200	F	93.4	Very high	92.2	Very high	132 Å²	132	66.2 Å²	66.2	58%	0.579	36%	0.355	S	S	*	.	S	Bend	trans	-87.1	116.4	179.1	-57.2	-74	0	0	0	108.5	T198 G202 L203	T198-F200 PolarHBondContact O-N 2.99Å; T198-F200 PolarHBondContact OG1-N 3.13Å; T198-F200 VanDerWaalsContact OG1-N 3.14Å; T198-F200 PolarHBondContact OG1-O 2.8Å; F200-G202 PolarHBondContact O-N 2.87Å; F200-L203 HydrophobicContact CB-CB 4.07Å; F200-L203 HydrophobicContact CB-CD1 3.9Å; F200-L203 HydrophobicContact CB-CG 4.24Å; F200-L203 PolarHBondContact O-N 3.33Å
201	P	91.5	Very high	93.2	Very high	100 Å²	100	64.4 Å²	64.4	65%	0.649	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	127.2	-174.6	-26.3	34.1	0	0	0	112.3	K199 L203	K199-P201 WeakPolarHBondContact O-CD 3.26Å; P201-L203 VanDerWaalsContact C-N 3.26Å; P201-L203 PolarHBondContact O-N 3.24Å
202	G	90.2	Very high	93.8	Very high	66 Å²	66	63.5 Å²	63.5	68%	0.68	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-3.9	178.5	0	0	0	0	0	115.8	F200	F200-G202 PolarHBondContact O-N 2.87Å
203	L	93.9	Very high	94.2	Very high	109 Å²	109	55.5 Å²	55.5	57%	0.571	30%	0.295	S	S	*	.			trans	-103.6	140.5	178	-58.2	-176.6	0	0	0	111.8	T198 F200 P201	T198-L203 WeakPolarHBondContact CB-O 3.27Å; T198-L203 WeakPolarHBondContact CG2-O 3.27Å; T198-L203 PolarHBondContact OG1-O 2.84Å; F200-L203 HydrophobicContact CB-CB 4.07Å; F200-L203 HydrophobicContact CB-CD1 3.9Å; F200-L203 HydrophobicContact CB-CG 4.24Å; F200-L203 PolarHBondContact O-N 3.33Å; P201-L203 VanDerWaalsContact C-N 3.26Å; P201-L203 PolarHBondContact O-N 3.24Å
204	W	94.7	Very high	94.4	Very high	125 Å²	125	56.6 Å²	56.6	47%	0.473	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.3	-173.6	-55.7	80.9	0	0	0	109.4	V195 P197 I572	V195-W204 HydrophobicContact CB-CE3 4.3Å; V195-W204 HydrophobicContact CG2-CE3 4.24Å; V195-W204 HydrophobicContact CG2-CZ3 4.49Å; P197-W204 HydrophobicContact CB-CE3 4.04Å; P197-W204 HydrophobicContact CB-CZ3 3.72Å; W204-I572 HydrophobicContact CH2-CD1 3.61Å; W204-I572 HydrophobicContact CH2-CG1 3.86Å; W204-I572 HydrophobicContact CZ2-CG1 4.5Å; W204-I572 HydrophobicContact CZ3-CD1 3.94Å
205	Y	96.1	Very high	94.5	Very high	98 Å²	98	53.4 Å²	53.4	38%	0.384	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	164.5	158.6	-61.5	-67.7	0	0	0	109.7	L183 F184 V195 V196 T198	L183-Y205 HydrophobicContact CB-CD1 4.01Å; L183-Y205 HydrophobicContact CB-CD2 4.16Å; L183-Y205 HydrophobicContact CB-CE1 4.48Å; L183-Y205 HydrophobicContact CB-CG 3.85Å; L183-Y205 HydrophobicContact CD1-CD2 4.13Å; L183-Y205 HydrophobicContact CD1-CE2 4.26Å; L183-Y205 HydrophobicContact CD2-CD2 4.29Å; L183-Y205 HydrophobicContact CD2-CG 4.37Å; L183-Y205 HydrophobicContact CG-CD2 4.43Å; F184-Y205 CarbonylContact O-C 3.45Å; F184-Y205 VanDerWaalsContact O-CA 3.27Å; F184-Y205 WeakPolarHBondContact O-CA 3.18Å; V195-Y205 CarbonylContact C-O 3.55Å; V195-Y205 WeakPolarHBondContact CA-O 3.49Å; V196-Y205 PolarHBondContact N-O 2.98Å; V196-Y205 PolarHBondContact O-N 2.83Å; T198-Y205 HydrophobicContact CG2-CD2 3.43Å; T198-Y205 VanDerWaalsContact CG2-CD2 3.43Å; T198-Y205 HydrophobicContact CG2-CE2 3.47Å; T198-Y205 VanDerWaalsContact CG2-CE2 3.47Å; T198-Y205 HydrophobicContact CG2-CG 4.2Å
206	C	95.3	Very high	94.6	Very high	10 Å²	10	49.1 Å²	49.1	7%	0.068	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144.5	168.1	-63.1	0	0	0	0	108.8	F184 E193 F194	F184-C206 PolarHBondContact N-O 2.98Å; F184-C206 PolarHBondContact O-N 2.73Å; E193-C206 HydrophobicContact CB-CB 4.3Å; E193-C206 WeakPolarHBondContact OE2-CB 3.35Å; F194-C206 CarbonylContact O-C 3.3Å; F194-C206 WeakPolarHBondContact O-CA 3.35Å
207	L	96.5	Very high	94.8	Very high	33 Å²	33	49.2 Å²	49.2	17%	0.173	26%	0.259	C	S	.	.			trans	-80.2	134.3	171.1	-63.2	-177.1	0	0	0	109.8	Y182 L183 F194 V196 F233	Y182-L207 WeakPolarHBondContact O-CD2 3.23Å; L183-L207 HydrophobicContact CD2-CD2 4.36Å; F194-L207 HydrophobicContact CB-CB 4.35Å; F194-L207 HydrophobicContact CB-CD1 4.06Å; F194-L207 HydrophobicContact CB-CG 4.32Å; F194-L207 PolarHBondContact O-N 2.89Å; V196-L207 HydrophobicContact CG2-CD1 4.41Å; V196-L207 HydrophobicContact CG2-CD2 3.72Å; V196-L207 HydrophobicContact CG2-CG 3.75Å; L207-F233 HydrophobicContact CB-CB 3.75Å; L207-F233 HydrophobicContact CB-CD2 3.7Å; L207-F233 HydrophobicContact CB-CE2 4.42Å; L207-F233 HydrophobicContact CB-CG 3.76Å; L207-F233 HydrophobicContact CD1-CB 4.3Å; L207-F233 HydrophobicContact CD1-CD1 3.79Å; L207-F233 HydrophobicContact CD1-CD2 4.25Å; L207-F233 HydrophobicContact CD1-CE1 4.1Å; L207-F233 HydrophobicContact CD1-CG 3.86Å; L207-F233 HydrophobicContact CD1-CZ 4.44Å; L207-F233 HydrophobicContact CG-CD2 4.43Å; L207-F233 HydrophobicContact CG-CG 4.41Å
208	P	94.7	Very high	94.9	Very high	8 Å²	8	48.3 Å²	48.3	5%	0.052	25%	0.251	C	S	.	.			trans	-73.8	140.8	-173.3	29.8	-37.3	0	0	0	112.3	Y182 S210 F233	Y182-P208 HydrophobicContact CD1-CG 4.23Å; Y182-P208 WeakPolarHBondContact O-CD 3.49Å; P208-S210 VanDerWaalsContact C-N 3.33Å; P208-F233 PolarHBondContact O-N 3.01Å
209	Q	93.5	Very high	95.1	Very high	17 Å²	17	47.9 Å²	47.9	8%	0.079	25%	0.249	C	C	.	.	S	Bend	trans	-81.3	-19.2	173.8	-50.8	-176.3	-23.9	0	0	113.5	A191 R192 E193 C232 F233 R234	A191-Q209 VanDerWaalsContact CA-NE2 3.28Å; A191-Q209 VanDerWaalsContact CB-NE2 3.32Å; A191-Q209 PolarHBondContact O-NE2 2.89Å; R192-Q209 VanDerWaalsContact C-NE2 3.28Å; R192-Q209 PolarHBondContact O-NE2 3.43Å; R192-Q209 VanDerWaalsContact O-NE2 3.13Å; E193-Q209 HydrophobicContact CG-CG 3.58Å; Q209-C232 WeakPolarHBondContact O-CB 3.34Å; Q209-F233 WeakPolarHBondContact CA-O 3.18Å; Q209-F233 WeakPolarHBondContact CG-O 3.49Å; Q209-R234 HydrophobicContact CB-CG 4.22Å; Q209-R234 HydrophobicContact CG-CG 4.28Å
210	S	93.8	Very high	95.3	Very high	37 Å²	37	43.2 Å²	43.2	26%	0.259	23%	0.23	S	C	.	.	S	Bend	trans	-169.2	158.5	173.2	62.1	0	0	0	0	108.2	P208 Q212	P208-S210 VanDerWaalsContact C-N 3.33Å; S210-Q212 PolarHBondContact O-N 2.78Å; S210-Q212 WeakPolarHBondContact OG-CB 3.17Å
211	P	95.3	Very high	95.5	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.032	23%	0.227	C	C	.	.	S	Bend	trans	-76.6	26.1	175.6	33.6	-37.2	0	0	0	113	T180 Q213 F214 K215 A230 D250	T180-P211 HydrophobicContact CG2-CB 4.28Å; T180-P211 VanDerWaalsContact OG1-CB 3.28Å; T180-P211 WeakPolarHBondContact OG1-CB 3.49Å; P211-Q213 VanDerWaalsContact C-N 3.33Å; P211-Q213 PolarHBondContact O-N 2.88Å; P211-F214 PolarHBondContact O-N 3.35Å; P211-F214 VanDerWaalsContact O-N 3.17Å; P211-K215 WeakPolarHBondContact O-CG 3.39Å; P211-K215 PolarHBondContact O-N 2.73Å; P211-A230 HydrophobicContact CG-CB 3.99Å; P211-D250 WeakPolarHBondContact CD-OD1 3.42Å; P211-D250 WeakPolarHBondContact CD-OD2 3.43Å; P211-D250 HydrophobicContact CG-CB 3.73Å; P211-D250 WeakPolarHBondContact CG-OD1 3.37Å
212	Q	93.5	Very high	95.8	Very high	14 Å²	14	38.6 Å²	38.6	7%	0.065	23%	0.226	C	C	.	.	H	α-helix	trans	-55.1	-41.4	-164.7	-179.4	61.2	34.1	0	0	114.4	S210 K215 Q216 F445	S210-Q212 PolarHBondContact O-N 2.78Å; S210-Q212 WeakPolarHBondContact OG-CB 3.17Å; Q212-K215 WeakPolarHBondContact O-CG 3.31Å; Q212-K215 VanDerWaalsContact OE1-NZ 3.12Å; Q212-Q216 VanDerWaalsContact O-CG 3.3Å; Q212-Q216 WeakPolarHBondContact O-CG 3.48Å; Q212-Q216 PolarHBondContact O-NE2 3.46Å; Q212-F445 HydrophobicContact CG-CD2 3.68Å; Q212-F445 HydrophobicContact CG-CE2 3.99Å; Q212-F445 HydrophobicContact CG-CG 4.44Å
213	Q	94.8	Very high	96.1	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.023	21%	0.212	C	C	.	.	H	α-helix	trans	-78.2	-43.6	-179	-56.8	-163.8	46.8	0	0	111.3	F184 P211 K215 Q216 L217 F445 M505 Y507	F184-Q213 HydrophobicContact CZ-CB 4.34Å; P211-Q213 VanDerWaalsContact C-N 3.33Å; P211-Q213 PolarHBondContact O-N 2.88Å; Q213-K215 PolarHBondContact O-N 3.32Å; Q213-Q216 PolarHBondContact O-N 2.96Å; Q213-L217 WeakPolarHBondContact O-CG 3.24Å; Q213-L217 PolarHBondContact O-N 3.42Å; Q213-F445 HydrophobicContact CG-CE1 4.31Å; Q213-F445 HydrophobicContact CG-CE2 4.35Å; Q213-F445 HydrophobicContact CG-CZ 3.77Å; Q213-M505 VanDerWaalsContact OE1-CE 3.25Å; Q213-Y507 VanDerWaalsContact CD-OH 3.31Å; Q213-Y507 PolarHBondContact OE1-OH 2.65Å
214	F	97	Very high	96.3	Very high	42 Å²	42	37.5 Å²	37.5	18%	0.184	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-41.4	179.7	-71.2	-60.6	0	0	0	112.7	T180 P181 F184 P211 Q216 L217 L218	T180-F214 HydrophobicContact CG2-CB 3.52Å; T180-F214 HydrophobicContact CG2-CG 4.28Å; P181-F214 HydrophobicContact CB-CE2 4.13Å; P181-F214 HydrophobicContact CB-CZ 4.11Å; P181-F214 HydrophobicContact CG-CE1 4.25Å; P181-F214 HydrophobicContact CG-CE2 4.14Å; P181-F214 HydrophobicContact CG-CZ 3.84Å; F184-F214 HydrophobicContact CB-CE2 4.47Å; F184-F214 HydrophobicContact CD2-CE1 4.37Å; F184-F214 AromaticContact CD2-CE2 3.45Å; F184-F214 HydrophobicContact CD2-CE2 3.45Å; F184-F214 VanDerWaalsContact CD2-CE2 3.45Å; F184-F214 AromaticContact CD2-CZ 3.29Å; F184-F214 HydrophobicContact CD2-CZ 3.29Å; F184-F214 HydrophobicContact CE2-CE1 4.01Å; F184-F214 AromaticContact CE2-CE2 3.66Å; F184-F214 HydrophobicContact CE2-CE2 3.66Å; F184-F214 AromaticContact CE2-CZ 3.31Å; F184-F214 HydrophobicContact CE2-CZ 3.31Å; F184-F214 AromaticContact CG-CE2 3.91Å; F184-F214 HydrophobicContact CG-CE2 3.91Å; F184-F214 HydrophobicContact CG-CZ 4.21Å; F184-F214 HydrophobicContact CZ-CE2 4.28Å; F184-F214 HydrophobicContact CZ-CZ 4.24Å; P211-F214 PolarHBondContact O-N 3.35Å; P211-F214 VanDerWaalsContact O-N 3.17Å; F214-Q216 VanDerWaalsContact C-N 3.27Å; F214-Q216 PolarHBondContact O-N 2.77Å; F214-L217 HydrophobicContact CD1-CD1 4.16Å; F214-L217 PolarHBondContact O-N 2.65Å; F214-L218 WeakPolarHBondContact O-CG 3.36Å; F214-L218 PolarHBondContact O-N 3.15Å
215	K	97	Very high	96.5	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.013	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-33.6	177.6	72	-173.2	-176.2	-169.4	0	112.6	P211 Q212 Q213 L218 M219 Y226 D250 E252 R483	P211-K215 WeakPolarHBondContact O-CG 3.39Å; P211-K215 PolarHBondContact O-N 2.73Å; Q212-K215 WeakPolarHBondContact O-CG 3.31Å; Q212-K215 VanDerWaalsContact OE1-NZ 3.12Å; Q213-K215 PolarHBondContact O-N 3.32Å; K215-L218 PolarHBondContact O-N 2.71Å; K215-M219 WeakPolarHBondContact O-CE 3.41Å; K215-M219 WeakPolarHBondContact O-CG 3.31Å; K215-M219 PolarHBondContact O-N 2.95Å; K215-Y226 HydrophobicContact CB-CD1 3.68Å; K215-Y226 HydrophobicContact CB-CE1 3.44Å; K215-Y226 VanDerWaalsContact CB-CE1 3.44Å; K215-Y226 HydrophobicContact CB-CG 4.48Å; K215-Y226 HydrophobicContact CD-CE1 4.32Å; K215-D250 HydrophobicContact CD-CB 4.5Å; K215-D250 IonicContact NZ-OD1 3.64Å; K215-D250 PolarHBondContact NZ-OD1 3.08Å; K215-E252 HydrophobicContact CB-CB 3.97Å; K215-E252 HydrophobicContact CB-CG 4.4Å; K215-E252 HydrophobicContact CD-CB 4.15Å; K215-E252 WeakPolarHBondContact CD-OE2 3.38Å; K215-E252 WeakPolarHBondContact CE-OE2 3.32Å; K215-E252 HydrophobicContact CG-CB 4.05Å; K215-E252 HydrophobicContact CG-CG 4.18Å; K215-E252 WeakPolarHBondContact CG-OE2 3.45Å; K215-R483 VanDerWaalsContact CE-NH2 3.32Å
216	Q	97.4	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.2	-45.6	171.8	-68.7	179.9	81.4	0	0	111.7	Q212 Q213 F214 L218 M219 I220 R483 F508 H519	Q212-Q216 VanDerWaalsContact O-CG 3.3Å; Q212-Q216 WeakPolarHBondContact O-CG 3.48Å; Q212-Q216 PolarHBondContact O-NE2 3.46Å; Q213-Q216 PolarHBondContact O-N 2.96Å; F214-Q216 VanDerWaalsContact C-N 3.27Å; F214-Q216 PolarHBondContact O-N 2.77Å; Q216-L218 PolarHBondContact O-N 3.44Å; Q216-M219 WeakPolarHBondContact O-CB 3.33Å; Q216-M219 PolarHBondContact O-N 3.31Å; Q216-I220 WeakPolarHBondContact O-CG1 3.27Å; Q216-I220 PolarHBondContact O-N 3.22Å; Q216-R483 HydrophobicContact CG-CG 4.05Å; Q216-F508 HydrophobicContact CB-CE2 3.96Å; Q216-F508 HydrophobicContact CB-CZ 4.17Å; Q216-H519 WeakPolarHBondContact CG-NE2 3.43Å
217	L	98	Very high	96.7	Very high	42 Å²	42	29.7 Å²	29.7	22%	0.22	18%	0.176	C	C	.	.	H	α-helix	trans	-57.4	-34.5	174.7	-67.1	173.2	0	0	0	112	Q213 F214 M219 I220 S221 Y507 F508 A511	Q213-L217 WeakPolarHBondContact O-CG 3.24Å; Q213-L217 PolarHBondContact O-N 3.42Å; F214-L217 HydrophobicContact CD1-CD1 4.16Å; F214-L217 PolarHBondContact O-N 2.65Å; L217-M219 VanDerWaalsContact C-N 3.32Å; L217-M219 PolarHBondContact O-N 3.39Å; L217-I220 HydrophobicContact CD2-CD1 4.16Å; L217-I220 WeakPolarHBondContact O-CB 3.32Å; L217-I220 PolarHBondContact O-N 3.23Å; L217-S221 PolarHBondContact O-N 3.18Å; L217-Y507 HydrophobicContact CD1-CE2 4.43Å; L217-F508 HydrophobicContact CD2-CD2 4.07Å; L217-F508 HydrophobicContact CD2-CE2 4.46Å; L217-F508 HydrophobicContact CG-CD2 4.35Å; L217-A511 HydrophobicContact CD2-CB 3.27Å
218	L	98.4	Very high	96.8	Very high	24 Å²	24	28.2 Å²	28.2	13%	0.126	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-36.3	175.3	-72	170.1	0	0	0	112.4	I178 T180 F214 K215 Q216 I220 S221 G222 F223 Y226	I178-L218 HydrophobicContact CB-CD1 4.19Å; I178-L218 HydrophobicContact CD1-CD1 4.11Å; I178-L218 HydrophobicContact CD1-CD2 4.01Å; I178-L218 HydrophobicContact CG2-CD1 4.04Å; I178-L218 HydrophobicContact CG2-CD2 4.35Å; T180-L218 HydrophobicContact CG2-CD1 4.33Å; F214-L218 WeakPolarHBondContact O-CG 3.36Å; F214-L218 PolarHBondContact O-N 3.15Å; K215-L218 PolarHBondContact O-N 2.71Å; Q216-L218 PolarHBondContact O-N 3.44Å; L218-I220 VanDerWaalsContact C-N 3.3Å; L218-I220 PolarHBondContact O-N 2.88Å; L218-S221 WeakPolarHBondContact CA-OG 3.45Å; L218-S221 PolarHBondContact O-N 3.48Å; L218-S221 PolarHBondContact O-OG 3.02Å; L218-G222 PolarHBondContact O-N 3.49Å; L218-F223 HydrophobicContact CB-CB 4.37Å; L218-F223 HydrophobicContact CB-CD2 4.43Å; L218-F223 HydrophobicContact CD2-CD2 3.65Å; L218-F223 HydrophobicContact CD2-CE2 4.04Å; L218-F223 PolarHBondContact O-N 2.94Å; L218-Y226 HydrophobicContact CD1-CD2 3.34Å; L218-Y226 HydrophobicContact CD1-CE2 3.46Å; L218-Y226 VanDerWaalsContact CD1-CE2 3.46Å; L218-Y226 HydrophobicContact CD1-CG 4.08Å
219	M	98.4	Very high	97	Very high	3 Å²	3	29 Å²	29	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-40.6	174.2	-57	-59	102.6	0	0	111.1	K215 Q216 L217 S221 G222 F223 E252 M253 A254 P517 H519	K215-M219 WeakPolarHBondContact O-CE 3.41Å; K215-M219 WeakPolarHBondContact O-CG 3.31Å; K215-M219 PolarHBondContact O-N 2.95Å; Q216-M219 WeakPolarHBondContact O-CB 3.33Å; Q216-M219 PolarHBondContact O-N 3.31Å; L217-M219 VanDerWaalsContact C-N 3.32Å; L217-M219 PolarHBondContact O-N 3.39Å; M219-S221 VanDerWaalsContact C-N 3.33Å; M219-G222 PolarHBondContact O-N 3.5Å; M219-F223 WeakPolarHBondContact CE-O 3.16Å; M219-E252 HydrophobicContact CE-CB 3.91Å; M219-E252 HydrophobicContact CE-CG 4Å; M219-E252 HydrophobicContact CG-CG 3.62Å; M219-E252 HydrophobicContact SD-CB 4.22Å; M219-E252 HydrophobicContact SD-CG 3.8Å; M219-M253 VanDerWaalsContact SD-C 3.5Å; M219-A254 HydrophobicContact SD-CB 4.05Å; M219-A254 PolarHBondContact SD-N 2.89Å; M219-P517 HydrophobicContact CB-CG 4.22Å; M219-H519 HydrophobicContact CB-CB 4.1Å; M219-H519 HydrophobicContact CG-CB 3.76Å; M219-H519 HydrophobicContact SD-CB 4.42Å
220	I	98	Very high	97.2	Very high	34 Å²	34	28.3 Å²	28.3	17%	0.174	17%	0.17	C	C	.	.	H	α-helix	trans	-66.1	-37.5	177.2	-51.6	174.5	0	0	0	110.8	Q216 L217 L218 G222 A511 L512 A516	Q216-I220 WeakPolarHBondContact O-CG1 3.27Å; Q216-I220 PolarHBondContact O-N 3.22Å; L217-I220 HydrophobicContact CD2-CD1 4.16Å; L217-I220 WeakPolarHBondContact O-CB 3.32Å; L217-I220 PolarHBondContact O-N 3.23Å; L218-I220 VanDerWaalsContact C-N 3.3Å; L218-I220 PolarHBondContact O-N 2.88Å; I220-G222 PolarHBondContact O-N 3Å; I220-A511 HydrophobicContact CD1-CB 3.85Å; I220-A511 WeakPolarHBondContact CG2-O 3.48Å; I220-L512 HydrophobicContact CD1-CD2 4.01Å; I220-A516 HydrophobicContact CD1-CB 4.09Å; I220-A516 HydrophobicContact CG1-CB 3.8Å
221	S	97.5	Very high	97.4	Very high	75 Å²	75	30 Å²	30	52%	0.524	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-3.7	177.9	71	0	0	0	0	114.7	L217 L218 M219 F223	L217-S221 PolarHBondContact O-N 3.18Å; L218-S221 WeakPolarHBondContact CA-OG 3.45Å; L218-S221 PolarHBondContact O-N 3.48Å; L218-S221 PolarHBondContact O-OG 3.02Å; M219-S221 VanDerWaalsContact C-N 3.33Å; S221-F223 VanDerWaalsContact OG-CD2 3.26Å; S221-F223 WeakPolarHBondContact OG-CD2 3.44Å
222	G	97	Very high	97.4	Very high	61 Å²	61	29.8 Å²	29.8	63%	0.629	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.4	6	176.3	0	0	0	0	0	115.7	L218 M219 I220 S224	L218-G222 PolarHBondContact O-N 3.49Å; M219-G222 PolarHBondContact O-N 3.5Å; I220-G222 PolarHBondContact O-N 3Å; G222-S224 PolarHBondContact O-N 3.27Å; G222-S224 VanDerWaalsContact O-N 3.12Å
223	F	97.9	Very high	97.5	Very high	90 Å²	90	30.4 Å²	30.4	40%	0.395	17%	0.172	S	C	.	.			trans	-79.2	90.8	169	-67.3	-76.6	0	0	0	109.5	I178 L218 M219 S221 K225	I178-F223 HydrophobicContact CD1-CB 4.25Å; I178-F223 HydrophobicContact CD1-CD1 3.68Å; I178-F223 HydrophobicContact CD1-CD2 3.92Å; I178-F223 HydrophobicContact CD1-CE1 3.93Å; I178-F223 HydrophobicContact CD1-CE2 4.18Å; I178-F223 HydrophobicContact CD1-CG 3.68Å; I178-F223 HydrophobicContact CD1-CZ 4.18Å; L218-F223 HydrophobicContact CB-CB 4.37Å; L218-F223 HydrophobicContact CB-CD2 4.43Å; L218-F223 HydrophobicContact CD2-CD2 3.65Å; L218-F223 HydrophobicContact CD2-CE2 4.04Å; L218-F223 PolarHBondContact O-N 2.94Å; M219-F223 WeakPolarHBondContact CE-O 3.16Å; S221-F223 VanDerWaalsContact OG-CD2 3.26Å; S221-F223 WeakPolarHBondContact OG-CD2 3.44Å; F223-K225 PolarHBondContact O-N 3.15Å
224	S	97.2	Very high	97.5	Very high	62 Å²	62	34.2 Å²	34.2	43%	0.434	19%	0.186	S	C	.	.	S	Bend	trans	-67.5	-18.5	-173.2	60.4	0	0	0	0	115.2	G222 M253 A254	G222-S224 PolarHBondContact O-N 3.27Å; G222-S224 VanDerWaalsContact O-N 3.12Å; S224-M253 CarbonylContact O-C 3.57Å; S224-M253 VanDerWaalsContact O-CA 3.25Å; S224-M253 WeakPolarHBondContact O-CA 3.33Å; S224-A254 PolarHBondContact O-N 3.22Å
225	K	98.6	Very high	97.2	Very high	68 Å²	68	34.7 Å²	34.7	30%	0.296	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	109	177	-66.4	-170.1	-172.9	-175.7	0	109.9	N173 F175 T176 F223 M253	N173-K225 WeakPolarHBondContact O-CD 3.46Å; N173-K225 PolarHBondContact O-NZ 3.12Å; F175-K225 HydrophobicContact CB-CB 4.45Å; F175-K225 HydrophobicContact CD1-CB 3.66Å; F175-K225 HydrophobicContact CD2-CB 4.4Å; F175-K225 HydrophobicContact CD2-CD 4.15Å; F175-K225 HydrophobicContact CE1-CB 3.88Å; F175-K225 HydrophobicContact CE1-CD 4.49Å; F175-K225 HydrophobicContact CE1-CG 4.35Å; F175-K225 HydrophobicContact CE2-CD 4.02Å; F175-K225 HydrophobicContact CG-CB 3.94Å; F175-K225 HydrophobicContact CZ-CB 4.41Å; F175-K225 HydrophobicContact CZ-CD 4.21Å; F175-K225 HydrophobicContact CZ-CG 4.49Å; T176-K225 PolarHBondContact N-O 3.31Å; F223-K225 PolarHBondContact O-N 3.15Å; K225-M253 HydrophobicContact CD-CE 4.3Å; K225-M253 HydrophobicContact CG-CE 4.41Å; K225-M253 HydrophobicContact CG-CG 4.35Å
226	Y	98.6	Very high	96.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.9	-179.8	159.6	-92.7	0	0	0	110.2	F175 I178 T180 K215 L218 Q228 D250 I251 E252	F175-Y226 WeakPolarHBondContact CD1-O 3.42Å; I178-Y226 HydrophobicContact CB-CD2 3.78Å; I178-Y226 HydrophobicContact CB-CE2 3.75Å; I178-Y226 HydrophobicContact CD1-CD2 4.25Å; I178-Y226 HydrophobicContact CG1-CD2 4.19Å; I178-Y226 WeakPolarHBondContact O-CE2 3.33Å; T180-Y226 HydrophobicContact CG2-CE2 4.26Å; K215-Y226 HydrophobicContact CB-CD1 3.68Å; K215-Y226 HydrophobicContact CB-CE1 3.44Å; K215-Y226 VanDerWaalsContact CB-CE1 3.44Å; K215-Y226 HydrophobicContact CB-CG 4.48Å; K215-Y226 HydrophobicContact CD-CE1 4.32Å; L218-Y226 HydrophobicContact CD1-CD2 3.34Å; L218-Y226 HydrophobicContact CD1-CE2 3.46Å; L218-Y226 VanDerWaalsContact CD1-CE2 3.46Å; L218-Y226 HydrophobicContact CD1-CG 4.08Å; Y226-Q228 HydrophobicContact CE1-CB 4.21Å; Y226-Q228 HydrophobicContact CE2-CB 4.04Å; Y226-Q228 WeakPolarHBondContact OH-CB 3.5Å; Y226-Q228 PolarHBondContact OH-OE1 2.96Å; Y226-D250 HydrophobicContact CE1-CB 4.25Å; Y226-I251 WeakPolarHBondContact O-CA 3.38Å; Y226-E252 HydrophobicContact CD1-CB 4.03Å; Y226-E252 PolarHBondContact N-O 3.44Å; Y226-E252 PolarHBondContact O-N 3.25Å; Y226-E252 VanDerWaalsContact O-N 3.07Å
227	M	98.6	Very high	95.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.6	162.9	70.3	83.6	73	0	0	111	R166 L169 F175 T176 E177 I178 V229 L249 D250 I251	R166-M227 HydrophobicContact CG-CE 3.77Å; L169-M227 HydrophobicContact CB-CE 4.44Å; L169-M227 HydrophobicContact CB-CG 4.31Å; L169-M227 HydrophobicContact CD1-CB 4.11Å; L169-M227 HydrophobicContact CD1-CE 3.7Å; L169-M227 HydrophobicContact CD1-CG 4.36Å; F175-M227 HydrophobicContact CB-CB 4.27Å; F175-M227 HydrophobicContact CB-CG 3.88Å; F175-M227 HydrophobicContact CD1-CB 4.13Å; T176-M227 PolarHBondContact O-N 2.68Å; E177-M227 VanDerWaalsContact CA-O 3.25Å; E177-M227 WeakPolarHBondContact CA-O 3.48Å; E177-M227 HydrophobicContact CB-CG 4.34Å; E177-M227 HydrophobicContact CB-SD 3.51Å; E177-M227 VanDerWaalsContact CB-SD 3.51Å; E177-M227 HydrophobicContact CG-SD 3.53Å; E177-M227 VanDerWaalsContact CG-SD 3.53Å; I178-M227 PolarHBondContact N-O 3.46Å; I178-M227 VanDerWaalsContact N-O 3.13Å; M227-V229 HydrophobicContact CE-CG2 4.49Å; M227-L249 HydrophobicContact CE-CD1 3.68Å; M227-D250 CarbonylContact C-O 3.48Å; M227-D250 WeakPolarHBondContact CA-O 3.29Å; M227-I251 HydrophobicContact CB-CG1 4.33Å
228	Q	98.5	Very high	94.4	Very high	2 Å²	2	41 Å²	41	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	135	168.2	-171.5	-176.9	-7	0	0	109.6	I178 T180 Y226 A230 L249 D250	I178-Q228 WeakPolarHBondContact O-CB 3.47Å; I178-Q228 WeakPolarHBondContact O-CG 3.49Å; I178-Q228 PolarHBondContact O-OE1 2.92Å; T180-Q228 PolarHBondContact OG1-OE1 3.47Å; Y226-Q228 HydrophobicContact CE1-CB 4.21Å; Y226-Q228 HydrophobicContact CE2-CB 4.04Å; Y226-Q228 WeakPolarHBondContact OH-CB 3.5Å; Y226-Q228 PolarHBondContact OH-OE1 2.96Å; Q228-A230 VanDerWaalsContact C-N 3.26Å; Q228-A230 HydrophobicContact CB-CB 4.42Å; Q228-A230 HydrophobicContact CG-CB 4.06Å; Q228-A230 PolarHBondContact O-N 3.45Å; Q228-A230 VanDerWaalsContact O-N 3.1Å; Q228-L249 WeakPolarHBondContact O-CA 3.19Å; Q228-D250 PolarHBondContact N-O 3.13Å; Q228-D250 PolarHBondContact O-N 3.27Å
229	V	98.4	Very high	93.5	Very high	25 Å²	25	46 Å²	46	15%	0.152	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	83.6	160.1	-178.2	0	0	0	0	107.5	I162 M227 T247 Q248 L249 L526	I162-V229 HydrophobicContact CG2-CG1 4.46Å; I162-V229 HydrophobicContact CG2-CG2 3.98Å; M227-V229 HydrophobicContact CE-CG2 4.49Å; V229-T247 HydrophobicContact CG1-CG2 3.5Å; V229-T247 VanDerWaalsContact CG1-CG2 3.5Å; V229-Q248 CarbonylContact C-O 3.58Å; V229-Q248 WeakPolarHBondContact CA-O 3.38Å; V229-L249 HydrophobicContact CG2-CD1 4.47Å; V229-L526 HydrophobicContact CG1-CD1 3.83Å
230	A	97.7	Very high	92.7	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	142.1	-169.5	0	0	0	0	0	112.3	P211 Q228 T247 Q248	P211-A230 HydrophobicContact CG-CB 3.99Å; Q228-A230 VanDerWaalsContact C-N 3.26Å; Q228-A230 HydrophobicContact CB-CB 4.42Å; Q228-A230 HydrophobicContact CG-CB 4.06Å; Q228-A230 PolarHBondContact O-N 3.45Å; Q228-A230 VanDerWaalsContact O-N 3.1Å; A230-T247 WeakPolarHBondContact O-CA 3.39Å; A230-Q248 PolarHBondContact N-O 2.72Å; A230-Q248 PolarHBondContact O-N 3.06Å
231	R	97.5	Very high	92.1	Very high	72 Å²	72	50 Å²	50	27%	0.272	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.9	166.8	-175.3	57.2	54	145.1	-4.2	109.1	Y182 F233 E245 F246 T247	Y182-R231 HydrophobicContact CE1-CB 4.23Å; R231-F233 HydrophobicContact CB-CE2 4.46Å; R231-F233 HydrophobicContact CB-CZ 4.42Å; R231-F233 HydrophobicContact CG-CE1 4.06Å; R231-F233 HydrophobicContact CG-CE2 3.9Å; R231-F233 HydrophobicContact CG-CZ 3.49Å; R231-F233 VanDerWaalsContact CG-CZ 3.49Å; R231-E245 VanDerWaalsContact CD-CG 3.49Å; R231-E245 WeakPolarHBondContact CD-OE1 3.26Å; R231-E245 HydrophobicContact CG-CG 4.28Å; R231-E245 IonicContact CZ-OE1 3.73Å; R231-E245 IonicContact NE-OE1 2.95Å; R231-E245 IonicContact NH1-OE1 2.85Å; R231-E245 PolarHBondContact NH1-OE1 3.35Å; R231-F246 WeakPolarHBondContact CD-O 3.44Å; R231-T247 PolarHBondContact NH2-OG1 3.44Å
232	C	96.2	Very high	91.6	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.5	-174.3	-61.7	0	0	0	0	110.9	Q209 E245 F246 Q248	Q209-C232 WeakPolarHBondContact O-CB 3.34Å; C232-E245 WeakPolarHBondContact O-CA 3.36Å; C232-F246 HydrophobicContact CB-CD1 4.37Å; C232-F246 HydrophobicContact CB-CD2 4.06Å; C232-F246 HydrophobicContact CB-CE1 3.88Å; C232-F246 HydrophobicContact CB-CE2 3.55Å; C232-F246 HydrophobicContact CB-CG 4.44Å; C232-F246 HydrophobicContact CB-CZ 3.42Å; C232-F246 VanDerWaalsContact CB-CZ 3.42Å; C232-F246 PolarHBondContact N-O 2.82Å; C232-F246 PolarHBondContact O-N 2.98Å; C232-Q248 PolarHBondContact SG-OE1 2.87Å; C232-Q248 VanDerWaalsContact SG-OE1 3.34Å
233	F	95.7	Very high	91.4	Very high	28 Å²	28	48.3 Å²	48.3	12%	0.123	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129	-171.8	-52.6	-90.9	0	0	0	111.5	Y182 F194 L207 P208 Q209 R231 P244 E245	Y182-F233 HydrophobicContact CD1-CE2 4.42Å; Y182-F233 HydrophobicContact CG-CE2 4.46Å; F194-F233 HydrophobicContact CD2-CB 4.09Å; L207-F233 HydrophobicContact CB-CB 3.75Å; L207-F233 HydrophobicContact CB-CD2 3.7Å; L207-F233 HydrophobicContact CB-CE2 4.42Å; L207-F233 HydrophobicContact CB-CG 3.76Å; L207-F233 HydrophobicContact CD1-CB 4.3Å; L207-F233 HydrophobicContact CD1-CD1 3.79Å; L207-F233 HydrophobicContact CD1-CD2 4.25Å; L207-F233 HydrophobicContact CD1-CE1 4.1Å; L207-F233 HydrophobicContact CD1-CG 3.86Å; L207-F233 HydrophobicContact CD1-CZ 4.44Å; L207-F233 HydrophobicContact CG-CD2 4.43Å; L207-F233 HydrophobicContact CG-CG 4.41Å; P208-F233 PolarHBondContact O-N 3.01Å; Q209-F233 WeakPolarHBondContact CA-O 3.18Å; Q209-F233 WeakPolarHBondContact CG-O 3.49Å; R231-F233 HydrophobicContact CB-CE2 4.46Å; R231-F233 HydrophobicContact CB-CZ 4.42Å; R231-F233 HydrophobicContact CG-CE1 4.06Å; R231-F233 HydrophobicContact CG-CE2 3.9Å; R231-F233 HydrophobicContact CG-CZ 3.49Å; R231-F233 VanDerWaalsContact CG-CZ 3.49Å; F233-P244 CarbonylContact C-O 3.57Å; F233-P244 VanDerWaalsContact CA-O 3.24Å; F233-P244 WeakPolarHBondContact CA-O 3.25Å; F233-E245 HydrophobicContact CD1-CB 4.3Å; F233-E245 HydrophobicContact CD1-CG 4.03Å; F233-E245 HydrophobicContact CE1-CB 4.49Å; F233-E245 HydrophobicContact CE1-CG 3.79Å
234	R	93.2	Very high	91.2	Very high	85 Å²	85	44.5 Å²	44.5	32%	0.321	22%	0.219	S	C	.	.			trans	-135.1	124.2	175.1	-68.8	177.4	-168.9	-179.8	6.9	109.5	A191 F194 Q209 E236 P244 F246	A191-R234 HydrophobicContact CB-CB 4.49Å; A191-R234 HydrophobicContact CB-CG 4.05Å; F194-R234 VanDerWaalsContact CE2-C 3.45Å; F194-R234 VanDerWaalsContact CE2-O 3.31Å; F194-R234 WeakPolarHBondContact CE2-O 3.19Å; Q209-R234 HydrophobicContact CB-CG 4.22Å; Q209-R234 HydrophobicContact CG-CG 4.28Å; R234-E236 HydrophobicContact CB-CG 4.38Å; R234-E236 PolarHBondContact O-N 2.93Å; R234-P244 PolarHBondContact N-O 3.46Å; R234-P244 VanDerWaalsContact O-CA 3.26Å; R234-P244 WeakPolarHBondContact O-CA 3.32Å; R234-P244 WeakPolarHBondContact O-CB 3.22Å; R234-F246 HydrophobicContact CB-CE1 4.26Å; R234-F246 HydrophobicContact CG-CE1 3.79Å; R234-F246 HydrophobicContact CG-CZ 4.12Å
235	D	90.8	Very high	91.1	Very high	52 Å²	52	44.7 Å²	44.7	28%	0.278	21%	0.213	S	C	.	.			trans	-78.3	64.3	176.6	-177.6	30.1	0	0	0	110.4	R192 F194	R192-D235 HydrophobicContact CB-CB 4.06Å; R192-D235 WeakPolarHBondContact CB-O 3.2Å; R192-D235 WeakPolarHBondContact CD-OD2 3.26Å; R192-D235 HydrophobicContact CG-CB 3.95Å; R192-D235 IonicContact CZ-OD2 2.98Å; R192-D235 IonicContact NE-OD2 3.46Å; R192-D235 PolarHBondContact NE-OD2 2.86Å; R192-D235 IonicContact NH1-OD2 2.85Å; R192-D235 PolarHBondContact NH1-OD2 2.91Å; R192-D235 PolarHBondContact O-N 3.34Å; F194-D235 HydrophobicContact CD1-CB 4.07Å; F194-D235 HydrophobicContact CD2-CB 4.1Å; F194-D235 HydrophobicContact CE1-CB 3.96Å; F194-D235 WeakPolarHBondContact CE1-OD1 3.49Å; F194-D235 HydrophobicContact CE2-CB 4.03Å; F194-D235 HydrophobicContact CG-CB 4.14Å; F194-D235 HydrophobicContact CZ-CB 3.95Å
236	E	83	Confident	90.9	Very high	68 Å²	68	42.6 Å²	42.6	32%	0.318	20%	0.204	S	C	.	.	S	Bend	trans	-125.2	156.7	179.5	-66.9	-176.5	-175.6	0	0	110.6	A191 R234 S238 R242	A191-E236 WeakPolarHBondContact CB-OE1 3.4Å; R234-E236 HydrophobicContact CB-CG 4.38Å; R234-E236 PolarHBondContact O-N 2.93Å; E236-S238 PolarHBondContact O-N 3.49Å; E236-R242 IonicContact OE2-NH1 3.59Å
237	T	76.8	Confident	90.9	Very high	102 Å²	102	42.9 Å²	42.9	63%	0.626	21%	0.206	S	C	*	.			trans	-62	134.7	174	47.2	0	0	0	0	110.8
238	S	74.1	Confident	90.8	Very high	8 Å²	8	43.8 Å²	43.8	6%	0.056	21%	0.21	C	C	.	.			trans	-75	139	180	-177.3	0	0	0	0	110.6	E236 R242 Q243 R540 A548 A549	E236-S238 PolarHBondContact O-N 3.49Å; S238-R242 PolarHBondContact OG-O 3.04Å; S238-Q243 PolarHBondContact OG-NE2 3.43Å; S238-R540 PolarHBondContact OG-NH2 2.87Å; S238-A548 VanDerWaalsContact CB-O 3.29Å; S238-A548 WeakPolarHBondContact CB-O 3.39Å; S238-A549 WeakPolarHBondContact CB-O 3.31Å; S238-A549 PolarHBondContact N-O 3.41Å; S238-A549 VanDerWaalsContact O-O 3.06Å
239	R	80.6	Confident	90.9	Very high	129 Å²	129	43.7 Å²	43.7	49%	0.487	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-121.8	175.7	174.4	-59.1	-175.9	-158.9	177.7	4.5	109.3	D241 R242 R540	R239-D241 VanDerWaalsContact CB-OD1 3.22Å; R239-D241 WeakPolarHBondContact CB-OD1 3.49Å; R239-D241 PolarHBondContact O-N 3.37Å; R239-R242 HydrophobicContact CB-CB 4.21Å; R239-R242 PolarHBondContact N-O 2.97Å; R239-R242 PolarHBondContact O-N 3.35Å; R239-R540 PolarHBondContact O-NH2 3.26Å; R239-R540 VanDerWaalsContact O-NH2 3.09Å
240	S	81.4	Confident	90.9	Very high	70 Å²	70	42.5 Å²	42.5	49%	0.49	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.7	175.1	49.6	0	0	0	0	112.6	S538 I539	S240-S538 WeakPolarHBondContact O-CA 3.43Å; S240-I539 PolarHBondContact O-N 3.33Å
241	D	84	Confident	90.9	Very high	49 Å²	49	42.4 Å²	42.4	26%	0.262	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	4.9	-179.7	71.3	-49.1	0	0	0	114	R239 R528	R239-D241 VanDerWaalsContact CB-OD1 3.22Å; R239-D241 WeakPolarHBondContact CB-OD1 3.49Å; R239-D241 PolarHBondContact O-N 3.37Å; D241-R528 PolarHBondContact O-NH2 3.44Å; D241-R528 IonicContact OD2-NH2 2.87Å
242	R	88.1	Confident	91	Very high	91 Å²	91	39 Å²	39	34%	0.343	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-143.9	135.9	-174.6	-61.5	-176.4	-173.5	-158.7	-3.5	113.5	E236 S238 R239	E236-R242 IonicContact OE2-NH1 3.59Å; S238-R242 PolarHBondContact OG-O 3.04Å; R239-R242 HydrophobicContact CB-CB 4.21Å; R239-R242 PolarHBondContact N-O 2.97Å; R239-R242 PolarHBondContact O-N 3.35Å
243	Q	92.7	Very high	91.1	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.047	19%	0.192	C	C	.	.			trans	-121.8	146.4	172.7	-75.2	-72.9	-61.4	0	0	109	S238 E245 F246 I539 I543 K547	S238-Q243 PolarHBondContact OG-NE2 3.43Å; Q243-E245 WeakPolarHBondContact CB-O 3.02Å; Q243-E245 PolarHBondContact O-N 3.43Å; Q243-F246 HydrophobicContact CB-CB 4.38Å; Q243-F246 VanDerWaalsContact O-CD1 3.27Å; Q243-F246 WeakPolarHBondContact O-CD1 3.39Å; Q243-I539 HydrophobicContact CB-CD1 4.14Å; Q243-I539 HydrophobicContact CG-CD1 3.62Å; Q243-I539 HydrophobicContact CG-CG1 3.97Å; Q243-I543 HydrophobicContact CG-CD1 3.8Å; Q243-K547 PolarHBondContact NE2-O 3.2Å; Q243-K547 PolarHBondContact OE1-O 3.41Å
244	P	93.7	Very high	91.2	Very high	10 Å²	10	38.7 Å²	38.7	7%	0.065	19%	0.19	C	C	.	.	S	Bend	trans	-64.9	-26.9	173	27.5	-34.8	0	0	0	111.4	F194 F233 R234 K547	F194-P244 HydrophobicContact CE2-CB 4Å; F194-P244 HydrophobicContact CZ-CB 3.96Å; F233-P244 CarbonylContact C-O 3.57Å; F233-P244 VanDerWaalsContact CA-O 3.24Å; F233-P244 WeakPolarHBondContact CA-O 3.25Å; R234-P244 PolarHBondContact N-O 3.46Å; R234-P244 VanDerWaalsContact O-CA 3.26Å; R234-P244 WeakPolarHBondContact O-CA 3.32Å; R234-P244 WeakPolarHBondContact O-CB 3.22Å; P244-K547 HydrophobicContact CG-CB 4.04Å; P244-K547 HydrophobicContact CG-CG 3.97Å
245	E	94.5	Very high	91.5	Very high	67 Å²	67	42.1 Å²	42.1	31%	0.313	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	118.5	173.9	-178	-166	156.9	0	0	108.7	R231 C232 F233 Q243	R231-E245 VanDerWaalsContact CD-CG 3.49Å; R231-E245 WeakPolarHBondContact CD-OE1 3.26Å; R231-E245 HydrophobicContact CG-CG 4.28Å; R231-E245 IonicContact CZ-OE1 3.73Å; R231-E245 IonicContact NE-OE1 2.95Å; R231-E245 IonicContact NH1-OE1 2.85Å; R231-E245 PolarHBondContact NH1-OE1 3.35Å; C232-E245 WeakPolarHBondContact O-CA 3.36Å; F233-E245 HydrophobicContact CD1-CB 4.3Å; F233-E245 HydrophobicContact CD1-CG 4.03Å; F233-E245 HydrophobicContact CE1-CB 4.49Å; F233-E245 HydrophobicContact CE1-CG 3.79Å; Q243-E245 WeakPolarHBondContact CB-O 3.02Å; Q243-E245 PolarHBondContact O-N 3.43Å
246	F	95.8	Very high	91.8	Very high	23 Å²	23	40.7 Å²	40.7	10%	0.101	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	160.6	-173.6	61	-79.6	0	0	0	112.4	R231 C232 R234 Q243 Q248 D527	R231-F246 WeakPolarHBondContact CD-O 3.44Å; C232-F246 HydrophobicContact CB-CD1 4.37Å; C232-F246 HydrophobicContact CB-CD2 4.06Å; C232-F246 HydrophobicContact CB-CE1 3.88Å; C232-F246 HydrophobicContact CB-CE2 3.55Å; C232-F246 HydrophobicContact CB-CG 4.44Å; C232-F246 HydrophobicContact CB-CZ 3.42Å; C232-F246 VanDerWaalsContact CB-CZ 3.42Å; C232-F246 PolarHBondContact N-O 2.82Å; C232-F246 PolarHBondContact O-N 2.98Å; R234-F246 HydrophobicContact CB-CE1 4.26Å; R234-F246 HydrophobicContact CG-CE1 3.79Å; R234-F246 HydrophobicContact CG-CZ 4.12Å; Q243-F246 HydrophobicContact CB-CB 4.38Å; Q243-F246 VanDerWaalsContact O-CD1 3.27Å; Q243-F246 WeakPolarHBondContact O-CD1 3.39Å; F246-Q248 HydrophobicContact CD2-CG 3.8Å; F246-Q248 HydrophobicContact CE2-CG 3.65Å; F246-D527 VanDerWaalsContact CA-OD2 3.23Å; F246-D527 WeakPolarHBondContact CA-OD2 3.2Å; F246-D527 VanDerWaalsContact CB-OD2 3.29Å; F246-D527 WeakPolarHBondContact CB-OD2 3.43Å
247	T	97.9	Very high	92.5	Very high	6 Å²	6	40.6 Å²	40.6	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.2	-178	-43.1	0	0	0	0	111.1	R158 V229 A230 R231 L526 D527	R158-T247 VanDerWaalsContact NH2-CB 3.26Å; R158-T247 PolarHBondContact NH2-OG1 3.11Å; V229-T247 HydrophobicContact CG1-CG2 3.5Å; V229-T247 VanDerWaalsContact CG1-CG2 3.5Å; A230-T247 WeakPolarHBondContact O-CA 3.39Å; R231-T247 PolarHBondContact NH2-OG1 3.44Å; T247-L526 HydrophobicContact CG2-CD1 4.04Å; T247-L526 PolarHBondContact O-N 3.43Å; T247-L526 VanDerWaalsContact O-N 3.1Å; T247-D527 PolarHBondContact N-OD2 3.15Å
248	Q	97.3	Very high	93.5	Very high	19 Å²	19	37 Å²	37	9%	0.089	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	153.9	172.3	-58.6	-167.2	-89.7	0	0	111	V229 A230 C232 F246 D250 L524	V229-Q248 CarbonylContact C-O 3.58Å; V229-Q248 WeakPolarHBondContact CA-O 3.38Å; A230-Q248 PolarHBondContact N-O 2.72Å; A230-Q248 PolarHBondContact O-N 3.06Å; C232-Q248 PolarHBondContact SG-OE1 2.87Å; C232-Q248 VanDerWaalsContact SG-OE1 3.34Å; F246-Q248 HydrophobicContact CD2-CG 3.8Å; F246-Q248 HydrophobicContact CE2-CG 3.65Å; Q248-D250 WeakPolarHBondContact CB-OD2 3.34Å; Q248-L524 CarbonylContact C-O 3.56Å; Q248-L524 WeakPolarHBondContact CA-O 3.45Å
249	L	98.7	Very high	94.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	104.5	161	169.1	61	0	0	0	106.8	M165 L169 M227 Q228 V229 I251 M268 A523 L524 L526	M165-L249 HydrophobicContact CB-CD2 4.24Å; M165-L249 HydrophobicContact CG-CD2 4.36Å; M165-L249 HydrophobicContact SD-CD2 3.74Å; L169-L249 HydrophobicContact CD1-CD1 3.9Å; L169-L249 HydrophobicContact CD1-CD2 4.05Å; L169-L249 HydrophobicContact CD1-CG 4.46Å; M227-L249 HydrophobicContact CE-CD1 3.68Å; Q228-L249 WeakPolarHBondContact O-CA 3.19Å; V229-L249 HydrophobicContact CG2-CD1 4.47Å; L249-I251 HydrophobicContact CD1-CG1 4.35Å; L249-I251 HydrophobicContact CD2-CD1 4.27Å; L249-I251 HydrophobicContact CG-CD1 4.22Å; L249-I251 HydrophobicContact CG-CG1 4.29Å; L249-M268 HydrophobicContact CD2-CE 3.73Å; L249-M268 HydrophobicContact CD2-SD 3.7Å; L249-A523 CarbonylContact O-C 3.52Å; L249-A523 VanDerWaalsContact O-CA 3.31Å; L249-A523 WeakPolarHBondContact O-CA 3.43Å; L249-L524 HydrophobicContact CB-CB 4.35Å; L249-L524 HydrophobicContact CD2-CD1 4.44Å; L249-L524 PolarHBondContact N-O 2.95Å; L249-L524 PolarHBondContact O-N 3.22Å; L249-L526 HydrophobicContact CB-CD1 3.98Å; L249-L526 HydrophobicContact CB-CD2 3.84Å; L249-L526 HydrophobicContact CB-CG 3.88Å
250	D	98.6	Very high	95.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.5	175.6	-84.7	-98.2	0	0	0	109.9	P211 K215 Y226 M227 Q228 Q248	P211-D250 WeakPolarHBondContact CD-OD1 3.42Å; P211-D250 WeakPolarHBondContact CD-OD2 3.43Å; P211-D250 HydrophobicContact CG-CB 3.73Å; P211-D250 WeakPolarHBondContact CG-OD1 3.37Å; K215-D250 HydrophobicContact CD-CB 4.5Å; K215-D250 IonicContact NZ-OD1 3.64Å; K215-D250 PolarHBondContact NZ-OD1 3.08Å; Y226-D250 HydrophobicContact CE1-CB 4.25Å; M227-D250 CarbonylContact C-O 3.48Å; M227-D250 WeakPolarHBondContact CA-O 3.29Å; Q228-D250 PolarHBondContact N-O 3.13Å; Q228-D250 PolarHBondContact O-N 3.27Å; Q248-D250 WeakPolarHBondContact CB-OD2 3.34Å
251	I	98.7	Very high	96.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.6	177.2	-69.8	167.6	0	0	0	107.8	L169 F175 Y226 M227 L249 M253 I265 G521 I522	L169-I251 HydrophobicContact CD1-CD1 3.82Å; L169-I251 HydrophobicContact CD1-CG1 4.15Å; L169-I251 HydrophobicContact CD2-CD1 3.89Å; F175-I251 HydrophobicContact CE1-CG2 3.58Å; F175-I251 HydrophobicContact CZ-CG2 4.03Å; Y226-I251 WeakPolarHBondContact O-CA 3.38Å; M227-I251 HydrophobicContact CB-CG1 4.33Å; L249-I251 HydrophobicContact CD1-CG1 4.35Å; L249-I251 HydrophobicContact CD2-CD1 4.27Å; L249-I251 HydrophobicContact CG-CD1 4.22Å; L249-I251 HydrophobicContact CG-CG1 4.29Å; I251-M253 HydrophobicContact CG2-CG 4.23Å; I251-M253 HydrophobicContact CG2-SD 4.46Å; I251-I265 HydrophobicContact CD1-CD1 3.72Å; I251-G521 CarbonylContact O-C 3.59Å; I251-G521 WeakPolarHBondContact O-CA 3.5Å; I251-I522 HydrophobicContact CB-CG2 4.18Å; I251-I522 PolarHBondContact N-O 2.85Å; I251-I522 PolarHBondContact O-N 2.88Å
252	E	98.8	Very high	97	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138.6	170.4	-163.9	78.4	-137.7	0	0	108.7	K215 M219 Y226 R483 H519 G520 G521	K215-E252 HydrophobicContact CB-CB 3.97Å; K215-E252 HydrophobicContact CB-CG 4.4Å; K215-E252 HydrophobicContact CD-CB 4.15Å; K215-E252 WeakPolarHBondContact CD-OE2 3.38Å; K215-E252 WeakPolarHBondContact CE-OE2 3.32Å; K215-E252 HydrophobicContact CG-CB 4.05Å; K215-E252 HydrophobicContact CG-CG 4.18Å; K215-E252 WeakPolarHBondContact CG-OE2 3.45Å; M219-E252 HydrophobicContact CE-CB 3.91Å; M219-E252 HydrophobicContact CE-CG 4Å; M219-E252 HydrophobicContact CG-CG 3.62Å; M219-E252 HydrophobicContact SD-CB 4.22Å; M219-E252 HydrophobicContact SD-CG 3.8Å; Y226-E252 HydrophobicContact CD1-CB 4.03Å; Y226-E252 PolarHBondContact N-O 3.44Å; Y226-E252 PolarHBondContact O-N 3.25Å; Y226-E252 VanDerWaalsContact O-N 3.07Å; E252-R483 VanDerWaalsContact OE1-CG 3.24Å; E252-R483 WeakPolarHBondContact OE1-CG 3.33Å; E252-R483 IonicContact OE1-CZ 2.9Å; E252-R483 IonicContact OE1-NE 3.39Å; E252-R483 PolarHBondContact OE1-NE 2.97Å; E252-R483 IonicContact OE1-NH2 3.9Å; E252-R483 IonicContact OE2-CZ 3.79Å; E252-R483 IonicContact OE2-NE 2.9Å; E252-R483 PolarHBondContact OE2-NE 3.21Å; E252-R483 VanDerWaalsContact OE2-NE 3.11Å; E252-R483 IonicContact OE2-NH2 3.88Å; E252-R483 PolarHBondContact OE2-NH2 2.74Å; E252-H519 IonicContact OE1-CD2 3.42Å; E252-H519 PolarHBondContact OE1-CD2 3.5Å; E252-G520 CarbonylContact C-O 3.57Å; E252-G520 WeakPolarHBondContact CA-O 3.38Å; E252-G520 WeakPolarHBondContact OE1-CA 3.17Å; E252-G520 PolarHBondContact OE1-N 2.93Å; E252-G521 PolarHBondContact OE1-N 2.95Å
253	M	98.7	Very high	97.5	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.069	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.8	-177.3	-56.6	167.7	69.5	0	0	110.2	F175 M219 S224 K225 I251 I256 I261 I264 H519 G520	F175-M253 HydrophobicContact CE1-CG 3.6Å; F175-M253 HydrophobicContact CE1-SD 4.09Å; F175-M253 HydrophobicContact CZ-CE 4.03Å; F175-M253 HydrophobicContact CZ-CG 3.72Å; F175-M253 HydrophobicContact CZ-SD 3.57Å; F175-M253 VanDerWaalsContact CZ-SD 3.57Å; M219-M253 VanDerWaalsContact SD-C 3.5Å; S224-M253 CarbonylContact O-C 3.57Å; S224-M253 VanDerWaalsContact O-CA 3.25Å; S224-M253 WeakPolarHBondContact O-CA 3.33Å; K225-M253 HydrophobicContact CD-CE 4.3Å; K225-M253 HydrophobicContact CG-CE 4.41Å; K225-M253 HydrophobicContact CG-CG 4.35Å; I251-M253 HydrophobicContact CG2-CG 4.23Å; I251-M253 HydrophobicContact CG2-SD 4.46Å; M253-I256 HydrophobicContact CB-CD1 3.81Å; M253-I256 HydrophobicContact CB-CG1 4.21Å; M253-I256 HydrophobicContact CB-CG2 3.7Å; M253-I256 HydrophobicContact CE-CG2 3.95Å; M253-I256 WeakPolarHBondContact O-CG1 3.24Å; M253-I256 HydrophobicContact SD-CG2 4.45Å; M253-I261 HydrophobicContact SD-CD1 3.96Å; M253-I264 HydrophobicContact SD-CG2 4.17Å; M253-H519 CarbonylContact O-C 3.58Å; M253-H519 WeakPolarHBondContact O-CA 3.44Å; M253-H519 VanDerWaalsContact O-CB 3.22Å; M253-H519 WeakPolarHBondContact O-CB 3.34Å; M253-G520 PolarHBondContact N-O 3.44Å; M253-G520 PolarHBondContact O-N 3.28Å
254	A	98.4	Very high	97.8	Very high	10 Å²	10	36.1 Å²	36.1	8%	0.083	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	153.6	173	0	0	0	0	0	111.2	M219 S224 P517 P518	M219-A254 HydrophobicContact SD-CB 4.05Å; M219-A254 PolarHBondContact SD-N 2.89Å; S224-A254 PolarHBondContact O-N 3.22Å; A254-P517 HydrophobicContact CB-CB 4.28Å; A254-P517 HydrophobicContact CB-CG 3.91Å; A254-P518 CarbonylContact C-O 3.51Å
255	F	98	Very high	98	Very high	157 Å²	157	35.7 Å²	35.7	69%	0.689	17%	0.171	S	C	*	.	S	Bend	trans	59.7	43.3	178	-47.3	-73.7	0	0	0	114	P517 P518	F255-P517 HydrophobicContact CD1-CB 4.19Å; F255-P517 HydrophobicContact CE1-CB 3.54Å; F255-P517 HydrophobicContact CE2-CB 4.14Å; F255-P517 HydrophobicContact CZ-CB 3.52Å; F255-P517 HydrophobicContact CZ-CG 4.43Å; F255-P518 PolarHBondContact N-O 3.48Å
256	I	98.2	Very high	98.2	Very high	21 Å²	21	32.9 Å²	32.9	11%	0.108	16%	0.158	C	C	.	.			trans	-122	165.5	-177.4	61	158.1	0	0	0	113.1	M253 D260 I261 I482 G520	M253-I256 HydrophobicContact CB-CD1 3.81Å; M253-I256 HydrophobicContact CB-CG1 4.21Å; M253-I256 HydrophobicContact CB-CG2 3.7Å; M253-I256 HydrophobicContact CE-CG2 3.95Å; M253-I256 WeakPolarHBondContact O-CG1 3.24Å; M253-I256 HydrophobicContact SD-CG2 4.45Å; I256-D260 HydrophobicContact CB-CB 4Å; I256-D260 HydrophobicContact CG2-CB 4.08Å; I256-I261 HydrophobicContact CD1-CD1 3.47Å; I256-I261 VanDerWaalsContact CD1-CD1 3.47Å; I256-I261 HydrophobicContact CD1-CG1 3.45Å; I256-I261 VanDerWaalsContact CD1-CG1 3.45Å; I256-I482 HydrophobicContact CD1-CD1 4.38Å; I256-G520 WeakPolarHBondContact CD1-O 3.27Å
257	T	97.4	Very high	98.3	Very high	67 Å²	67	34.6 Å²	34.6	41%	0.411	17%	0.168	S	C	.	.			trans	-110.2	170.9	166.4	73.1	0	0	0	0	110.2	Y259 D260	T257-Y259 PolarHBondContact O-N 3.05Å; T257-Y259 PolarHBondContact OG1-N 2.75Å; T257-D260 WeakPolarHBondContact CA-OD2 3Å; T257-D260 WeakPolarHBondContact CB-OD2 3.26Å; T257-D260 PolarHBondContact N-OD2 2.97Å; T257-D260 PolarHBondContact O-N 3.03Å; T257-D260 PolarHBondContact OG1-OD2 3.25Å
258	P	97.7	Very high	98.4	Very high	27 Å²	27	34.3 Å²	34.3	18%	0.175	17%	0.166	C	C	.	.	H	α-helix	trans	-56.8	-30.2	172.1	-24.8	33.2	0	0	0	113.6	D260 I261 Y262 Y468 I482	P258-D260 PolarHBondContact O-N 2.99Å; P258-I261 PolarHBondContact O-N 3.44Å; P258-Y262 HydrophobicContact CB-CE2 4.08Å; P258-Y262 WeakPolarHBondContact O-CD2 3.42Å; P258-Y262 PolarHBondContact O-N 3.34Å; P258-Y468 HydrophobicContact CB-CD1 4.08Å; P258-Y468 HydrophobicContact CB-CE1 4Å; P258-I482 HydrophobicContact CG-CD1 4.15Å; P258-I482 HydrophobicContact CG-CG1 3.69Å
259	Y	98.1	Very high	98.4	Very high	147 Å²	147	33.4 Å²	33.4	58%	0.576	16%	0.162	S	C	*	.	H	α-helix	trans	-66	-37.2	-178.6	-70.2	-77.3	0	0	0	112.8	T257 I261 Y262 E263	T257-Y259 PolarHBondContact O-N 3.05Å; T257-Y259 PolarHBondContact OG1-N 2.75Å; Y259-I261 PolarHBondContact O-N 3.03Å; Y259-Y262 AromaticContact CD1-CD2 3.97Å; Y259-Y262 HydrophobicContact CD1-CD2 3.97Å; Y259-Y262 HydrophobicContact CD1-CE2 4.28Å; Y259-Y262 HydrophobicContact CG-CD2 4.47Å; Y259-Y262 PolarHBondContact O-N 3.07Å; Y259-E263 WeakPolarHBondContact O-CB 3.24Å; Y259-E263 PolarHBondContact O-N 3.44Å
260	D	98.5	Very high	98.4	Very high	62 Å²	62	36.2 Å²	36.2	33%	0.332	18%	0.177	S	C	.	.	H	α-helix	trans	-63.9	-33.7	176.4	-54.4	-78.5	0	0	0	111.2	I256 T257 P258 I264	I256-D260 HydrophobicContact CB-CB 4Å; I256-D260 HydrophobicContact CG2-CB 4.08Å; T257-D260 WeakPolarHBondContact CA-OD2 3Å; T257-D260 WeakPolarHBondContact CB-OD2 3.26Å; T257-D260 PolarHBondContact N-OD2 2.97Å; T257-D260 PolarHBondContact O-N 3.03Å; T257-D260 PolarHBondContact OG1-OD2 3.25Å; P258-D260 PolarHBondContact O-N 2.99Å; D260-I264 WeakPolarHBondContact O-CB 3.5Å; D260-I264 WeakPolarHBondContact O-CG2 3.45Å; D260-I264 PolarHBondContact O-N 3.31Å
261	I	98.6	Very high	98.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70.8	-42.4	174.6	-64.1	-70.1	0	0	0	111.3	M253 I256 P258 Y259 E263 I264 I265 Y468 I522	M253-I261 HydrophobicContact SD-CD1 3.96Å; I256-I261 HydrophobicContact CD1-CD1 3.47Å; I256-I261 VanDerWaalsContact CD1-CD1 3.47Å; I256-I261 HydrophobicContact CD1-CG1 3.45Å; I256-I261 VanDerWaalsContact CD1-CG1 3.45Å; P258-I261 PolarHBondContact O-N 3.44Å; Y259-I261 PolarHBondContact O-N 3.03Å; I261-E263 VanDerWaalsContact C-N 3.33Å; I261-E263 PolarHBondContact O-N 2.93Å; I261-I264 WeakPolarHBondContact O-CG2 3.4Å; I261-I265 HydrophobicContact CG2-CG1 4.37Å; I261-I265 WeakPolarHBondContact O-CB 3.42Å; I261-I265 WeakPolarHBondContact O-CG1 3.4Å; I261-I265 PolarHBondContact O-N 3.07Å; I261-Y468 HydrophobicContact CB-CE2 4.19Å; I261-Y468 WeakPolarHBondContact CG1-OH 3.13Å; I261-Y468 HydrophobicContact CG2-CD2 4.18Å; I261-Y468 HydrophobicContact CG2-CE2 3.42Å; I261-Y468 VanDerWaalsContact CG2-CE2 3.42Å; I261-I522 HydrophobicContact CG2-CB 4.09Å; I261-I522 HydrophobicContact CG2-CD1 4.49Å; I261-I522 HydrophobicContact CG2-CG2 3.97Å
262	Y	98.6	Very high	98.4	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.027	19%	0.194	C	C	.	.	H	α-helix	trans	-58.2	-49.8	174.2	-55.3	-35	0	0	0	110.6	P258 Y259 I265 E266 W423 N425 Y468	P258-Y262 HydrophobicContact CB-CE2 4.08Å; P258-Y262 WeakPolarHBondContact O-CD2 3.42Å; P258-Y262 PolarHBondContact O-N 3.34Å; Y259-Y262 AromaticContact CD1-CD2 3.97Å; Y259-Y262 HydrophobicContact CD1-CD2 3.97Å; Y259-Y262 HydrophobicContact CD1-CE2 4.28Å; Y259-Y262 HydrophobicContact CG-CD2 4.47Å; Y259-Y262 PolarHBondContact O-N 3.07Å; Y262-I265 PolarHBondContact O-N 3.43Å; Y262-E266 WeakPolarHBondContact O-CB 3.46Å; Y262-E266 WeakPolarHBondContact O-CG 3.5Å; Y262-E266 PolarHBondContact O-N 3.36Å; Y262-W423 AromaticContact CD1-CD2 3.47Å; Y262-W423 HydrophobicContact CD1-CD2 3.47Å; Y262-W423 VanDerWaalsContact CD1-CD2 3.47Å; Y262-W423 AromaticContact CD1-CE2 3.53Å; Y262-W423 AromaticContact CD1-CE3 3.76Å; Y262-W423 HydrophobicContact CD1-CE3 3.76Å; Y262-W423 AromaticContact CD1-CG 3.9Å; Y262-W423 HydrophobicContact CD1-CG 3.9Å; Y262-W423 HydrophobicContact CD1-CH2 4.13Å; Y262-W423 AromaticContact CD1-CZ2 3.88Å; Y262-W423 HydrophobicContact CD1-CZ2 3.88Å; Y262-W423 HydrophobicContact CD1-CZ3 4.07Å; Y262-W423 AromaticContact CD1-NE1 3.92Å; Y262-W423 HydrophobicContact CE1-CB 4.44Å; Y262-W423 AromaticContact CE1-CD2 3.82Å; Y262-W423 HydrophobicContact CE1-CD2 3.82Å; Y262-W423 AromaticContact CE1-CE3 3.82Å; Y262-W423 HydrophobicContact CE1-CE3 3.82Å; Y262-W423 HydrophobicContact CE1-CG 4.11Å; Y262-W423 HydrophobicContact CE1-CZ3 4.31Å; Y262-W423 HydrophobicContact CG-CD2 4.39Å; Y262-N425 PolarHBondContact OH-ND2 2.95Å; Y262-Y468 HydrophobicContact CE1-CD1 4.02Å; Y262-Y468 HydrophobicContact CE1-CD2 4.24Å; Y262-Y468 AromaticContact CE1-CG 3.67Å; Y262-Y468 HydrophobicContact CE1-CG 3.67Å
263	E	98.5	Very high	98.3	Very high	111 Å²	111	41.1 Å²	41.1	52%	0.519	20%	0.196	S	C	.	.	H	α-helix	trans	-63.1	-47.2	-177	-177.3	174	-175.8	0	0	112.6	Y259 I261 I265 E266 N267	Y259-E263 WeakPolarHBondContact O-CB 3.24Å; Y259-E263 PolarHBondContact O-N 3.44Å; I261-E263 VanDerWaalsContact C-N 3.33Å; I261-E263 PolarHBondContact O-N 2.93Å; E263-I265 VanDerWaalsContact C-N 3.31Å; E263-I265 PolarHBondContact O-N 3.14Å; E263-E266 PolarHBondContact O-N 2.77Å; E263-N267 WeakPolarHBondContact CG-ND2 3.32Å; E263-N267 VanDerWaalsContact O-CB 3.24Å; E263-N267 WeakPolarHBondContact O-CB 3.14Å; E263-N267 VanDerWaalsContact O-CG 3.22Å; E263-N267 PolarHBondContact O-N 3.1Å; E263-N267 PolarHBondContact O-ND2 2.67Å
264	I	98.7	Very high	98.3	Very high	11 Å²	11	44.3 Å²	44.3	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-36.8	-178.6	-167.4	63.9	0	0	0	112	F168 L169 N173 F175 M253 D260 I261 M268	F168-I264 HydrophobicContact CE1-CD1 3.6Å; F168-I264 HydrophobicContact CE1-CG1 4.2Å; F168-I264 WeakPolarHBondContact CE1-O 3.35Å; F168-I264 HydrophobicContact CZ-CD1 3.95Å; L169-I264 HydrophobicContact CD2-CG1 4.24Å; N173-I264 HydrophobicContact CB-CD1 4.02Å; N173-I264 WeakPolarHBondContact OD1-CD1 3.4Å; F175-I264 HydrophobicContact CE2-CD1 4.04Å; F175-I264 HydrophobicContact CE2-CG1 4Å; F175-I264 HydrophobicContact CZ-CG1 4.09Å; M253-I264 HydrophobicContact SD-CG2 4.17Å; D260-I264 WeakPolarHBondContact O-CB 3.5Å; D260-I264 WeakPolarHBondContact O-CG2 3.45Å; D260-I264 PolarHBondContact O-N 3.31Å; I261-I264 WeakPolarHBondContact O-CG2 3.4Å; I264-M268 VanDerWaalsContact O-CB 3.28Å; I264-M268 WeakPolarHBondContact O-CB 3.32Å; I264-M268 PolarHBondContact O-N 2.66Å
265	I	98.8	Very high	98.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-74.6	-43.2	179.3	-63.3	-62.7	0	0	0	111.3	I251 I261 Y262 E263 M268 L269 W423 L470 I522 L524	I251-I265 HydrophobicContact CD1-CD1 3.72Å; I261-I265 HydrophobicContact CG2-CG1 4.37Å; I261-I265 WeakPolarHBondContact O-CB 3.42Å; I261-I265 WeakPolarHBondContact O-CG1 3.4Å; I261-I265 PolarHBondContact O-N 3.07Å; Y262-I265 PolarHBondContact O-N 3.43Å; E263-I265 VanDerWaalsContact C-N 3.31Å; E263-I265 PolarHBondContact O-N 3.14Å; I265-M268 HydrophobicContact CD1-CE 3.86Å; I265-M268 PolarHBondContact O-N 3.06Å; I265-L269 HydrophobicContact CG2-CD1 4.11Å; I265-L269 WeakPolarHBondContact O-CG 3.42Å; I265-L269 PolarHBondContact O-N 2.84Å; I265-W423 HydrophobicContact CB-CH2 4Å; I265-W423 HydrophobicContact CB-CZ2 3.92Å; I265-W423 HydrophobicContact CG1-CH2 4.23Å; I265-W423 HydrophobicContact CG2-CH2 3.88Å; I265-W423 HydrophobicContact CG2-CZ2 3.88Å; I265-L470 HydrophobicContact CG2-CD2 3.88Å; I265-I522 HydrophobicContact CD1-CG2 3.56Å; I265-I522 HydrophobicContact CG1-CD1 4.25Å; I265-I522 HydrophobicContact CG1-CG2 3.83Å; I265-L524 HydrophobicContact CD1-CD1 4.3Å; I265-L524 HydrophobicContact CG2-CD1 4.48Å; I265-L524 HydrophobicContact CG2-CD2 4.5Å
266	E	98.8	Very high	98.1	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-58.2	-48.1	173.8	-78.9	174.4	-154.7	0	0	111.1	Y262 E263 M268 L269 L270 T287 P288 F289 R291 W423	Y262-E266 WeakPolarHBondContact O-CB 3.46Å; Y262-E266 WeakPolarHBondContact O-CG 3.5Å; Y262-E266 PolarHBondContact O-N 3.36Å; E263-E266 PolarHBondContact O-N 2.77Å; E266-M268 PolarHBondContact O-N 2.99Å; E266-L269 PolarHBondContact O-N 2.91Å; E266-L270 WeakPolarHBondContact O-CG 3.29Å; E266-L270 PolarHBondContact O-N 2.93Å; E266-T287 HydrophobicContact CB-CG2 3.68Å; E266-T287 HydrophobicContact CG-CG2 4.03Å; E266-P288 VanDerWaalsContact OE2-CA 3.3Å; E266-P288 WeakPolarHBondContact OE2-CA 3.1Å; E266-F289 HydrophobicContact CG-CD2 3.56Å; E266-F289 HydrophobicContact CG-CE2 3.73Å; E266-F289 HydrophobicContact CG-CG 4.02Å; E266-F289 HydrophobicContact CG-CZ 4.31Å; E266-R291 IonicContact OE1-NH2 3.75Å; E266-W423 PolarHBondContact OE1-NE1 2.92Å
267	N	98.7	Very high	98	Very high	59 Å²	59	40.5 Å²	40.5	32%	0.316	20%	0.202	S	C	.	.	H	α-helix	trans	-66.2	-35.8	177.6	-72.3	-24.5	0	0	0	112.5	F168 E263 L270 Y271	F168-N267 HydrophobicContact CE2-CB 4.2Å; F168-N267 HydrophobicContact CZ-CB 3.66Å; E263-N267 WeakPolarHBondContact CG-ND2 3.32Å; E263-N267 VanDerWaalsContact O-CB 3.24Å; E263-N267 WeakPolarHBondContact O-CB 3.14Å; E263-N267 VanDerWaalsContact O-CG 3.22Å; E263-N267 PolarHBondContact O-N 3.1Å; E263-N267 PolarHBondContact O-ND2 2.67Å; N267-L270 PolarHBondContact O-N 2.9Å; N267-Y271 WeakPolarHBondContact O-CB 3.36Å; N267-Y271 PolarHBondContact O-N 2.85Å
268	M	98.8	Very high	97.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-44.5	173.9	-176	177.2	62.6	0	0	111.4	M165 F168 L169 L249 I264 I265 E266 Y271 I272 L524	M165-M268 HydrophobicContact CB-SD 4.08Å; M165-M268 HydrophobicContact CE-CE 4.42Å; M165-M268 HydrophobicContact CG-CG 4.25Å; M165-M268 HydrophobicContact CG-SD 3.91Å; F168-M268 HydrophobicContact CD1-CB 3.48Å; F168-M268 VanDerWaalsContact CD1-CB 3.48Å; F168-M268 HydrophobicContact CD1-CG 3.61Å; F168-M268 HydrophobicContact CD1-SD 4.4Å; F168-M268 VanDerWaalsContact CE1-CA 3.48Å; F168-M268 HydrophobicContact CE1-CB 3.44Å; F168-M268 VanDerWaalsContact CE1-CB 3.44Å; F168-M268 HydrophobicContact CE1-CG 4.12Å; F168-M268 HydrophobicContact CG-CB 4.26Å; F168-M268 HydrophobicContact CG-CG 4.2Å; F168-M268 HydrophobicContact CZ-CB 4.19Å; L169-M268 HydrophobicContact CD1-SD 3.91Å; L169-M268 HydrophobicContact CD2-SD 4.23Å; L169-M268 HydrophobicContact CG-SD 4.05Å; L249-M268 HydrophobicContact CD2-CE 3.73Å; L249-M268 HydrophobicContact CD2-SD 3.7Å; I264-M268 VanDerWaalsContact O-CB 3.28Å; I264-M268 WeakPolarHBondContact O-CB 3.32Å; I264-M268 PolarHBondContact O-N 2.66Å; I265-M268 HydrophobicContact CD1-CE 3.86Å; I265-M268 PolarHBondContact O-N 3.06Å; E266-M268 PolarHBondContact O-N 2.99Å; M268-Y271 WeakPolarHBondContact O-CB 3.37Å; M268-Y271 PolarHBondContact O-N 3.35Å; M268-Y271 VanDerWaalsContact O-N 3.17Å; M268-I272 PolarHBondContact O-N 3.12Å; M268-L524 HydrophobicContact CE-CD1 3.43Å; M268-L524 VanDerWaalsContact CE-CD1 3.43Å
269	L	98.6	Very high	97.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-41.2	178.4	-72.7	170	0	0	0	111.2	I265 E266 Y271 I272 W273 I285 F289 F421 L470 L529 F533	I265-L269 HydrophobicContact CG2-CD1 4.11Å; I265-L269 WeakPolarHBondContact O-CG 3.42Å; I265-L269 PolarHBondContact O-N 2.84Å; E266-L269 PolarHBondContact O-N 2.91Å; L269-Y271 VanDerWaalsContact C-N 3.31Å; L269-Y271 PolarHBondContact O-N 3.13Å; L269-I272 HydrophobicContact CD2-CD1 3.99Å; L269-I272 VanDerWaalsContact O-CG1 3.29Å; L269-I272 WeakPolarHBondContact O-CG1 3.31Å; L269-I272 PolarHBondContact O-N 2.67Å; L269-W273 WeakPolarHBondContact O-CB 3.11Å; L269-W273 PolarHBondContact O-N 3.34Å; L269-I285 HydrophobicContact CB-CD1 3.96Å; L269-F289 HydrophobicContact CB-CZ 4.44Å; L269-F289 HydrophobicContact CD1-CE2 3.66Å; L269-F289 HydrophobicContact CD1-CZ 3.95Å; L269-F421 HydrophobicContact CD1-CD1 4.25Å; L269-F421 HydrophobicContact CD1-CE1 3.96Å; L269-F421 HydrophobicContact CD1-CZ 4.18Å; L269-F421 HydrophobicContact CD2-CZ 4.37Å; L269-L470 HydrophobicContact CD1-CD2 3.93Å; L269-L529 HydrophobicContact CD2-CD2 4.42Å; L269-F533 HydrophobicContact CD2-CZ 4.31Å
270	L	98.2	Very high	97.3	Very high	59 Å²	59	39.3 Å²	39.3	31%	0.309	21%	0.211	S	C	.	.	H	α-helix	trans	-60	-40.5	170.8	-75.6	174	0	0	0	112.4	E266 N267 W273 P274 I285 T287	E266-L270 WeakPolarHBondContact O-CG 3.29Å; E266-L270 PolarHBondContact O-N 2.93Å; N267-L270 PolarHBondContact O-N 2.9Å; L270-W273 WeakPolarHBondContact O-CB 3.48Å; L270-W273 PolarHBondContact O-N 3.25Å; L270-P274 WeakPolarHBondContact O-CD 3.45Å; L270-I285 HydrophobicContact CD2-CD1 4.39Å; L270-I285 HydrophobicContact CD2-CG1 4.01Å; L270-T287 HydrophobicContact CD1-CG2 3.58Å; L270-T287 WeakPolarHBondContact CD1-OG1 3.47Å; L270-T287 HydrophobicContact CD2-CG2 4.24Å; L270-T287 HydrophobicContact CG-CG2 3.77Å
271	Y	98.4	Very high	97	Very high	94 Å²	94	39.4 Å²	39.4	37%	0.369	23%	0.226	S	C	.	.	H	α-helix	trans	-65	-41.6	-179.3	-177.5	-91.6	0	0	0	112.8	Q164 F168 N172 N267 M268 L269 W273 P274	Q164-Y271 HydrophobicContact CB-CD1 4.47Å; Q164-Y271 HydrophobicContact CB-CE1 4.23Å; Q164-Y271 WeakPolarHBondContact O-CE1 3.44Å; F168-Y271 HydrophobicContact CB-CD1 3.63Å; F168-Y271 HydrophobicContact CB-CE1 3.96Å; F168-Y271 HydrophobicContact CB-CG 4.01Å; F168-Y271 HydrophobicContact CD2-CD1 4.06Å; F168-Y271 AromaticContact CD2-CD2 3.77Å; F168-Y271 HydrophobicContact CD2-CD2 3.77Å; F168-Y271 HydrophobicContact CD2-CE2 4.5Å; F168-Y271 AromaticContact CD2-CG 3.5Å; F168-Y271 HydrophobicContact CD2-CG 3.5Å; F168-Y271 HydrophobicContact CE2-CG 4.39Å; F168-Y271 HydrophobicContact CG-CD1 4.22Å; F168-Y271 HydrophobicContact CG-CG 4.1Å; N172-Y271 WeakPolarHBondContact ND2-CE2 3.42Å; N267-Y271 WeakPolarHBondContact O-CB 3.36Å; N267-Y271 PolarHBondContact O-N 2.85Å; M268-Y271 WeakPolarHBondContact O-CB 3.37Å; M268-Y271 PolarHBondContact O-N 3.35Å; M268-Y271 VanDerWaalsContact O-N 3.17Å; L269-Y271 VanDerWaalsContact C-N 3.31Å; L269-Y271 PolarHBondContact O-N 3.13Å; Y271-W273 VanDerWaalsContact C-N 3.32Å; Y271-P274 WeakPolarHBondContact O-CD 3.38Å
272	I	98.2	Very high	96.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-78.7	-18.3	177.7	70	175.6	0	0	0	112.7	I161 Q164 M165 M268 L269 P274 T275 V276 F533	I161-I272 HydrophobicContact CD1-CB 4.17Å; I161-I272 HydrophobicContact CD1-CD1 4.37Å; I161-I272 HydrophobicContact CG2-CD1 3.9Å; Q164-I272 HydrophobicContact CB-CG2 3.8Å; M165-I272 HydrophobicContact CE-CD1 3.67Å; M165-I272 HydrophobicContact CG-CG2 3.95Å; M268-I272 PolarHBondContact O-N 3.12Å; L269-I272 HydrophobicContact CD2-CD1 3.99Å; L269-I272 VanDerWaalsContact O-CG1 3.29Å; L269-I272 WeakPolarHBondContact O-CG1 3.31Å; L269-I272 PolarHBondContact O-N 2.67Å; I272-P274 VanDerWaalsContact C-CD 3.46Å; I272-T275 WeakPolarHBondContact O-CB 3.37Å; I272-T275 PolarHBondContact O-N 3.19Å; I272-V276 HydrophobicContact CG1-CG2 4.35Å; I272-V276 PolarHBondContact O-N 2.92Å; I272-F533 HydrophobicContact CD1-CE2 4.15Å
273	W	97.8	Very high	96.4	Very high	8 Å²	8	45 Å²	45	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-58.1	-37.6	-169.5	-152.6	-103.9	0	0	0	115.3	L269 L270 Y271 T275 V276 Q277 Q283 I285 F419 F421 F533	L269-W273 WeakPolarHBondContact O-CB 3.11Å; L269-W273 PolarHBondContact O-N 3.34Å; L270-W273 WeakPolarHBondContact O-CB 3.48Å; L270-W273 PolarHBondContact O-N 3.25Å; Y271-W273 VanDerWaalsContact C-N 3.32Å; W273-T275 PolarHBondContact O-N 3.36Å; W273-T275 VanDerWaalsContact O-N 3.11Å; W273-V276 HydrophobicContact CD2-CB 4.15Å; W273-V276 HydrophobicContact CD2-CG1 4.33Å; W273-V276 HydrophobicContact CE3-CB 4.13Å; W273-V276 HydrophobicContact CE3-CG1 4.17Å; W273-V276 HydrophobicContact CE3-CG2 4.06Å; W273-V276 HydrophobicContact CH2-CG1 4.02Å; W273-V276 HydrophobicContact CZ2-CG1 4.15Å; W273-V276 HydrophobicContact CZ3-CB 4.47Å; W273-V276 HydrophobicContact CZ3-CG1 4.03Å; W273-V276 HydrophobicContact CZ3-CG2 4.41Å; W273-V276 CarbonylContact O-C 3.53Å; W273-V276 WeakPolarHBondContact O-CA 3.4Å; W273-V276 WeakPolarHBondContact O-CB 3.47Å; W273-V276 PolarHBondContact O-N 2.76Å; W273-Q277 WeakPolarHBondContact O-CB 3.44Å; W273-Q277 PolarHBondContact O-N 2.73Å; W273-Q283 PolarHBondContact NE1-O 3.46Å; W273-I285 HydrophobicContact CB-CG1 4.37Å; W273-I285 HydrophobicContact CD2-CB 4.31Å; W273-I285 HydrophobicContact CD2-CD1 3.68Å; W273-I285 HydrophobicContact CD2-CG1 3.5Å; W273-I285 HydrophobicContact CD2-CG2 4.06Å; W273-I285 HydrophobicContact CE3-CD1 3.42Å; W273-I285 VanDerWaalsContact CE3-CD1 3.42Å; W273-I285 HydrophobicContact CE3-CG1 3.82Å; W273-I285 HydrophobicContact CE3-CG2 4.24Å; W273-I285 HydrophobicContact CG-CD1 4.16Å; W273-I285 HydrophobicContact CG-CG1 3.74Å; W273-I285 HydrophobicContact CH2-CG2 3.47Å; W273-I285 VanDerWaalsContact CH2-CG2 3.47Å; W273-I285 HydrophobicContact CZ2-CB 4.3Å; W273-I285 HydrophobicContact CZ2-CG1 4.37Å; W273-I285 HydrophobicContact CZ2-CG2 3.26Å; W273-I285 HydrophobicContact CZ3-CD1 3.88Å; W273-I285 HydrophobicContact CZ3-CG1 4.35Å; W273-I285 HydrophobicContact CZ3-CG2 3.96Å; W273-F419 HydrophobicContact CH2-CB 3.83Å; W273-F419 AromaticContact CH2-CD2 3.47Å; W273-F419 HydrophobicContact CH2-CD2 3.47Å; W273-F419 VanDerWaalsContact CH2-CD2 3.47Å; W273-F419 HydrophobicContact CH2-CE2 4.17Å; W273-F419 AromaticContact CH2-CG 3.72Å; W273-F419 HydrophobicContact CH2-CG 3.72Å; W273-F419 HydrophobicContact CZ2-CB 4.33Å; W273-F419 AromaticContact CZ2-CD2 3.63Å; W273-F419 HydrophobicContact CZ2-CD2 3.63Å; W273-F419 HydrophobicContact CZ2-CE2 4.32Å; W273-F419 HydrophobicContact CZ2-CG 4.27Å; W273-F421 HydrophobicContact CH2-CE2 4.05Å; W273-F421 AromaticContact CZ3-CE2 3.87Å; W273-F421 HydrophobicContact CZ3-CE2 3.87Å; W273-F421 HydrophobicContact CZ3-CZ 4.32Å; W273-F533 HydrophobicContact CH2-CE1 4.3Å; W273-F533 AromaticContact CZ3-CE1 3.89Å; W273-F533 HydrophobicContact CZ3-CE1 3.89Å; W273-F533 HydrophobicContact CZ3-CZ 4.05Å
274	P	97.2	Very high	96.1	Very high	82 Å²	82	43.6 Å²	43.6	53%	0.532	26%	0.255	S	S	.	.	H	α-helix	trans	-54.7	-33.2	175.2	-28.7	36.6	0	0	0	113.4	L270 Y271 I272 S278	L270-P274 WeakPolarHBondContact O-CD 3.45Å; Y271-P274 WeakPolarHBondContact O-CD 3.38Å; I272-P274 VanDerWaalsContact C-CD 3.46Å; P274-S278 VanDerWaalsContact O-CB 3.31Å; P274-S278 WeakPolarHBondContact O-CB 3.5Å; P274-S278 PolarHBondContact O-N 3.23Å; P274-S278 PolarHBondContact O-OG 2.93Å
275	T	96.4	Very high	96	Very high	26 Å²	26	44.1 Å²	44.1	16%	0.16	26%	0.257	C	S	.	.	H	α-helix	trans	-74.6	-40	175.5	-59.5	0	0	0	0	111.8	F157 I161 Q164 I272 W273 S278 T279	F157-T275 HydrophobicContact CE2-CG2 4.37Å; I161-T275 HydrophobicContact CD1-CG2 4.09Å; Q164-T275 PolarHBondContact NE2-OG1 2.97Å; Q164-T275 PolarHBondContact OE1-OG1 3.32Å; I272-T275 WeakPolarHBondContact O-CB 3.37Å; I272-T275 PolarHBondContact O-N 3.19Å; W273-T275 PolarHBondContact O-N 3.36Å; W273-T275 VanDerWaalsContact O-N 3.11Å; T275-S278 WeakPolarHBondContact CA-OG 3.21Å; T275-S278 PolarHBondContact O-OG 2.73Å; T275-T279 VanDerWaalsContact O-CB 3.26Å; T275-T279 WeakPolarHBondContact O-CB 3.34Å; T275-T279 PolarHBondContact O-N 3.12Å; T275-T279 PolarHBondContact O-OG1 3.08Å
276	V	96.7	Very high	95.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-52.8	173.9	-176.4	0	0	0	0	109.5	F157 I161 I272 W273 T279 L280 F533	F157-V276 HydrophobicContact CZ-CB 4.49Å; F157-V276 HydrophobicContact CZ-CG2 4.14Å; I161-V276 HydrophobicContact CD1-CG2 3.77Å; I272-V276 HydrophobicContact CG1-CG2 4.35Å; I272-V276 PolarHBondContact O-N 2.92Å; W273-V276 HydrophobicContact CD2-CB 4.15Å; W273-V276 HydrophobicContact CD2-CG1 4.33Å; W273-V276 HydrophobicContact CE3-CB 4.13Å; W273-V276 HydrophobicContact CE3-CG1 4.17Å; W273-V276 HydrophobicContact CE3-CG2 4.06Å; W273-V276 HydrophobicContact CH2-CG1 4.02Å; W273-V276 HydrophobicContact CZ2-CG1 4.15Å; W273-V276 HydrophobicContact CZ3-CB 4.47Å; W273-V276 HydrophobicContact CZ3-CG1 4.03Å; W273-V276 HydrophobicContact CZ3-CG2 4.41Å; W273-V276 CarbonylContact O-C 3.53Å; W273-V276 WeakPolarHBondContact O-CA 3.4Å; W273-V276 WeakPolarHBondContact O-CB 3.47Å; W273-V276 PolarHBondContact O-N 2.76Å; V276-T279 PolarHBondContact O-N 3.5Å; V276-L280 HydrophobicContact CG1-CD1 3.69Å; V276-L280 WeakPolarHBondContact O-CB 3.39Å; V276-L280 WeakPolarHBondContact O-CG 3.49Å; V276-L280 PolarHBondContact O-N 3.06Å; V276-F533 HydrophobicContact CG1-CG 4.43Å; V276-F533 HydrophobicContact CG2-CD2 4.27Å; V276-F533 HydrophobicContact CG2-CE2 4.21Å
277	Q	95.4	Very high	95.7	Very high	82 Å²	82	50.6 Å²	50.6	38%	0.383	30%	0.301	S	S	.	.	H	α-helix	trans	-60.3	-48.7	179	175.7	168.7	-12	0	0	112.8	W273 T279 G281 C282	W273-Q277 WeakPolarHBondContact O-CB 3.44Å; W273-Q277 PolarHBondContact O-N 2.73Å; Q277-T279 VanDerWaalsContact C-N 3.29Å; Q277-T279 PolarHBondContact O-N 3.03Å; Q277-G281 WeakPolarHBondContact O-CA 3.2Å; Q277-G281 PolarHBondContact O-N 3.08Å; Q277-C282 WeakPolarHBondContact CG-O 3.39Å
278	S	94.5	Very high	95.6	Very high	95 Å²	95	52.4 Å²	52.4	66%	0.664	32%	0.316	S	S	*	.	H	α-helix	trans	-66.9	-29.1	179.5	54.9	0	0	0	0	113.5	P274 T275	P274-S278 VanDerWaalsContact O-CB 3.31Å; P274-S278 WeakPolarHBondContact O-CB 3.5Å; P274-S278 PolarHBondContact O-N 3.23Å; P274-S278 PolarHBondContact O-OG 2.93Å; T275-S278 WeakPolarHBondContact CA-OG 3.21Å; T275-S278 PolarHBondContact O-OG 2.73Å
279	T	92.5	Very high	95.6	Very high	61 Å²	61	53 Å²	53	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-82.4	-36.1	179.4	-55.3	0	0	0	0	112.6	F157 T275 V276 Q277	F157-T279 HydrophobicContact CD2-CG2 3.62Å; F157-T279 HydrophobicContact CE2-CG2 4.1Å; F157-T279 HydrophobicContact CG-CG2 4.25Å; T275-T279 VanDerWaalsContact O-CB 3.26Å; T275-T279 WeakPolarHBondContact O-CB 3.34Å; T275-T279 PolarHBondContact O-N 3.12Å; T275-T279 PolarHBondContact O-OG1 3.08Å; V276-T279 PolarHBondContact O-N 3.5Å; Q277-T279 VanDerWaalsContact C-N 3.29Å; Q277-T279 PolarHBondContact O-N 3.03Å
280	L	91.8	Very high	95.5	Very high	59 Å²	59	57.5 Å²	57.5	31%	0.309	34%	0.342	S	S	.	.	H	α-helix	trans	-109.6	-16.8	-168.9	-57.4	173.1	0	0	0	114	F157 V276 C282 F533 V534	F157-L280 HydrophobicContact CZ-CD1 4.35Å; V276-L280 HydrophobicContact CG1-CD1 3.69Å; V276-L280 WeakPolarHBondContact O-CB 3.39Å; V276-L280 WeakPolarHBondContact O-CG 3.49Å; V276-L280 PolarHBondContact O-N 3.06Å; L280-C282 VanDerWaalsContact C-N 3.28Å; L280-C282 HydrophobicContact CB-CB 4.46Å; L280-C282 PolarHBondContact O-N 3.23Å; L280-F533 HydrophobicContact CD1-CB 4.06Å; L280-F533 WeakPolarHBondContact CD1-O 3.41Å; L280-V534 HydrophobicContact CD2-CG1 4.38Å
281	G	92.3	Very high	95.5	Very high	64 Å²	64	59.3 Å²	59.3	66%	0.66	35%	0.345	S	S	*	.			trans	70.2	22.3	-174.9	0	0	0	0	0	114.1	Q277	Q277-G281 WeakPolarHBondContact O-CA 3.2Å; Q277-G281 PolarHBondContact O-N 3.08Å
282	C	91.6	Very high	95.5	Very high	11 Å²	11	55 Å²	55	7%	0.074	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-81.9	166.2	-179.7	68	0	0	0	0	112.5	Q277 L280 E418 F419	Q277-C282 WeakPolarHBondContact CG-O 3.39Å; L280-C282 VanDerWaalsContact C-N 3.28Å; L280-C282 HydrophobicContact CB-CB 4.46Å; L280-C282 PolarHBondContact O-N 3.23Å; C282-E418 VanDerWaalsContact CA-OE2 3.32Å; C282-E418 WeakPolarHBondContact CA-OE2 3.24Å; C282-E418 WeakPolarHBondContact CB-OE2 3.13Å; C282-F419 HydrophobicContact CB-CD2 4.46Å; C282-F419 HydrophobicContact CB-CE2 3.99Å
283	Q	92.5	Very high	95.5	Very high	113 Å²	113	58.4 Å²	58.4	53%	0.528	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-73.1	160	176.1	-64.8	-55.7	-47.8	0	0	112.3	W273 E418	W273-Q283 PolarHBondContact NE1-O 3.46Å; Q283-E418 HydrophobicContact CB-CB 4.49Å; Q283-E418 HydrophobicContact CB-CG 3.72Å; Q283-E418 HydrophobicContact CG-CG 3.62Å; Q283-E418 PolarHBondContact N-OE2 3.28Å
284	P	93.6	Very high	95.5	Very high	83 Å²	83	59.4 Å²	59.4	54%	0.539	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-62.9	143.4	169.6	27	-35.4	0	0	0	111.6
285	I	95.7	Very high	95.5	Very high	21 Å²	21	58.5 Å²	58.5	11%	0.108	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-84.3	155	164.5	55.8	171.2	0	0	0	110.4	L269 L270 W273 F289 F419 F421	L269-I285 HydrophobicContact CB-CD1 3.96Å; L270-I285 HydrophobicContact CD2-CD1 4.39Å; L270-I285 HydrophobicContact CD2-CG1 4.01Å; W273-I285 HydrophobicContact CB-CG1 4.37Å; W273-I285 HydrophobicContact CD2-CB 4.31Å; W273-I285 HydrophobicContact CD2-CD1 3.68Å; W273-I285 HydrophobicContact CD2-CG1 3.5Å; W273-I285 HydrophobicContact CD2-CG2 4.06Å; W273-I285 HydrophobicContact CE3-CD1 3.42Å; W273-I285 VanDerWaalsContact CE3-CD1 3.42Å; W273-I285 HydrophobicContact CE3-CG1 3.82Å; W273-I285 HydrophobicContact CE3-CG2 4.24Å; W273-I285 HydrophobicContact CG-CD1 4.16Å; W273-I285 HydrophobicContact CG-CG1 3.74Å; W273-I285 HydrophobicContact CH2-CG2 3.47Å; W273-I285 VanDerWaalsContact CH2-CG2 3.47Å; W273-I285 HydrophobicContact CZ2-CB 4.3Å; W273-I285 HydrophobicContact CZ2-CG1 4.37Å; W273-I285 HydrophobicContact CZ2-CG2 3.26Å; W273-I285 HydrophobicContact CZ3-CD1 3.88Å; W273-I285 HydrophobicContact CZ3-CG1 4.35Å; W273-I285 HydrophobicContact CZ3-CG2 3.96Å; I285-F289 HydrophobicContact CD1-CE1 4.33Å; I285-F289 HydrophobicContact CD1-CZ 4.09Å; I285-F419 HydrophobicContact CG2-CB 4.39Å; I285-F421 HydrophobicContact CD1-CE2 4.42Å; I285-F421 HydrophobicContact CG2-CD2 4.17Å; I285-F421 HydrophobicContact CG2-CE2 4.15Å
286	S	94.2	Very high	95.6	Very high	96 Å²	96	60 Å²	60	67%	0.671	35%	0.351	S	S	*	.			trans	-121.4	144.2	175.5	59.3	0	0	0	0	111.1	F289	S286-F289 VanDerWaalsContact O-CD1 3.31Å; S286-F289 WeakPolarHBondContact O-CD1 3.28Å; S286-F289 WeakPolarHBondContact O-CE1 3.37Å
287	T	96.2	Very high	95.6	Very high	49 Å²	49	60 Å²	60	30%	0.301	35%	0.351	S	S	.	.	S	Bend	trans	-114.3	158.1	171.7	62.6	0	0	0	0	109.4	E266 L270 F289	E266-T287 HydrophobicContact CB-CG2 3.68Å; E266-T287 HydrophobicContact CG-CG2 4.03Å; L270-T287 HydrophobicContact CD1-CG2 3.58Å; L270-T287 WeakPolarHBondContact CD1-OG1 3.47Å; L270-T287 HydrophobicContact CD2-CG2 4.24Å; L270-T287 HydrophobicContact CG-CG2 3.77Å; T287-F289 HydrophobicContact CG2-CD1 4.16Å; T287-F289 HydrophobicContact CG2-CE1 3.76Å; T287-F289 HydrophobicContact CG2-CZ 4.18Å
288	P	97.6	Very high	95.8	Very high	97 Å²	97	56.5 Å²	56.5	63%	0.63	33%	0.334	S	S	*	.	S	Bend	cis	-70.1	147.5	-1.8	31.1	-35.3	0	0	0	112.4	E266	E266-P288 VanDerWaalsContact OE2-CA 3.3Å; E266-P288 WeakPolarHBondContact OE2-CA 3.1Å
289	F	98.2	Very high	95.9	Very high	12 Å²	12	54.6 Å²	54.6	5%	0.053	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-68.8	153.1	173.1	-61.8	-26.9	0	0	0	110.6	E266 L269 I285 S286 T287 R291 F421 W423 L470	E266-F289 HydrophobicContact CG-CD2 3.56Å; E266-F289 HydrophobicContact CG-CE2 3.73Å; E266-F289 HydrophobicContact CG-CG 4.02Å; E266-F289 HydrophobicContact CG-CZ 4.31Å; L269-F289 HydrophobicContact CB-CZ 4.44Å; L269-F289 HydrophobicContact CD1-CE2 3.66Å; L269-F289 HydrophobicContact CD1-CZ 3.95Å; I285-F289 HydrophobicContact CD1-CE1 4.33Å; I285-F289 HydrophobicContact CD1-CZ 4.09Å; S286-F289 VanDerWaalsContact O-CD1 3.31Å; S286-F289 WeakPolarHBondContact O-CD1 3.28Å; S286-F289 WeakPolarHBondContact O-CE1 3.37Å; T287-F289 HydrophobicContact CG2-CD1 4.16Å; T287-F289 HydrophobicContact CG2-CE1 3.76Å; T287-F289 HydrophobicContact CG2-CZ 4.18Å; F289-R291 PolarHBondContact O-N 3.47Å; F289-F421 HydrophobicContact CB-CB 4.4Å; F289-F421 HydrophobicContact CD1-CB 3.77Å; F289-F421 HydrophobicContact CD2-CB 3.48Å; F289-F421 VanDerWaalsContact CD2-CB 3.48Å; F289-F421 HydrophobicContact CD2-CG 4.26Å; F289-F421 HydrophobicContact CE1-CB 3.8Å; F289-F421 HydrophobicContact CE1-CD2 4.16Å; F289-F421 HydrophobicContact CE1-CG 4.24Å; F289-F421 HydrophobicContact CE2-CB 3.5Å; F289-F421 HydrophobicContact CE2-CD1 4.21Å; F289-F421 HydrophobicContact CE2-CD2 4.31Å; F289-F421 AromaticContact CE2-CG 3.78Å; F289-F421 HydrophobicContact CE2-CG 3.78Å; F289-F421 HydrophobicContact CG-CB 3.62Å; F289-F421 HydrophobicContact CZ-CB 3.68Å; F289-F421 AromaticContact CZ-CD2 3.83Å; F289-F421 HydrophobicContact CZ-CD2 3.83Å; F289-F421 AromaticContact CZ-CG 3.78Å; F289-F421 HydrophobicContact CZ-CG 3.78Å; F289-W423 AromaticContact CD2-NE1 3.9Å; F289-L470 HydrophobicContact CD2-CD1 3.94Å; F289-L470 HydrophobicContact CE2-CD1 4.19Å
290	L	97.4	Very high	96.2	Very high	95 Å²	95	55.8 Å²	55.8	50%	0.497	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	133.3	174.4	176.1	65.1	0	0	0	109.5	M292 L422 W423	L290-M292 HydrophobicContact CD2-CE 3.97Å; L290-L422 HydrophobicContact CB-CB 4.04Å; L290-L422 CarbonylContact O-C 3.3Å; L290-L422 VanDerWaalsContact O-CA 3.24Å; L290-L422 WeakPolarHBondContact O-CA 3.13Å; L290-L422 WeakPolarHBondContact O-CB 3.22Å; L290-W423 PolarHBondContact O-N 2.9Å
291	R	98	Very high	96.5	Very high	98 Å²	98	54 Å²	54	37%	0.37	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.4	173.1	-59.4	179.9	-176.4	138.2	4.5	108.6	E266 F289 W423	E266-R291 IonicContact OE1-NH2 3.75Å; F289-R291 PolarHBondContact O-N 3.47Å; R291-W423 WeakPolarHBondContact CA-O 3.42Å; R291-W423 HydrophobicContact CG-CB 4.15Å
292	M	98.1	Very high	96.8	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.02	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.4	-176.5	-179.7	178.8	-43.1	0	0	109.3	L290 D296 A297 R300 Y301 P306 V308 L422 W423 I424 N425	L290-M292 HydrophobicContact CD2-CE 3.97Å; M292-D296 HydrophobicContact CG-CB 3.76Å; M292-D296 HydrophobicContact SD-CB 4.45Å; M292-A297 HydrophobicContact CG-CB 4.19Å; M292-A297 WeakPolarHBondContact SD-CA 3.17Å; M292-A297 HydrophobicContact SD-CB 3.67Å; M292-R300 VanDerWaalsContact CG-NH2 3.33Å; M292-R300 PolarHBondContact SD-NH2 3.34Å; M292-Y301 HydrophobicContact CE-CD2 4.43Å; M292-Y301 HydrophobicContact CE-CE2 3.61Å; M292-Y301 HydrophobicContact SD-CD2 4.06Å; M292-Y301 HydrophobicContact SD-CE2 3.74Å; M292-P306 HydrophobicContact CE-CG 4.44Å; M292-P306 HydrophobicContact SD-CG 4.2Å; M292-V308 HydrophobicContact CE-CG1 4.4Å; M292-L422 HydrophobicContact CE-CD1 3.92Å; M292-W423 PolarHBondContact N-O 3.15Å; M292-I424 HydrophobicContact CB-CD1 3.72Å; M292-I424 HydrophobicContact CG-CD1 4.1Å; M292-I424 VanDerWaalsContact O-CA 3.28Å; M292-I424 WeakPolarHBondContact O-CA 3.34Å; M292-I424 HydrophobicContact SD-CD1 4.17Å; M292-N425 PolarHBondContact O-N 2.95Å; M292-N425 PolarHBondContact O-OD1 3.05Å
293	Q	98	Very high	97.1	Very high	70 Å²	70	51.6 Å²	51.6	33%	0.327	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	148.5	174.1	-62.6	-178.8	-12.8	0	0	109.7	C295 D296 A297 N425 Q426	Q293-C295 VanDerWaalsContact CB-SG 3.57Å; Q293-C295 PolarHBondContact O-N 3.31Å; Q293-C295 PolarHBondContact OE1-SG 3.3Å; Q293-C295 VanDerWaalsContact OE1-SG 3.41Å; Q293-D296 HydrophobicContact CB-CB 4.43Å; Q293-D296 WeakPolarHBondContact O-CB 3.21Å; Q293-D296 PolarHBondContact O-N 3.21Å; Q293-A297 PolarHBondContact O-N 2.66Å; Q293-N425 CarbonylContact C-O 3.53Å; Q293-N425 WeakPolarHBondContact CA-O 3.21Å; Q293-Q426 HydrophobicContact CG-CG 4.46Å; Q293-Q426 VanDerWaalsContact NE2-NE2 3.18Å
294	Y	98	Very high	97.3	Very high	29 Å²	29	48.6 Å²	48.6	11%	0.114	27%	0.269	C	S	.	.	H	α-helix	trans	-52.9	-42.8	175.6	167.2	-93.5	0	0	0	111.7	D296 A297 M298 D304 E390 N425 F427 P428	Y294-D296 VanDerWaalsContact C-N 3.32Å; Y294-D296 PolarHBondContact O-N 3.14Å; Y294-A297 WeakPolarHBondContact O-CB 3.36Å; Y294-A297 PolarHBondContact O-N 2.93Å; Y294-A297 VanDerWaalsContact O-N 3.17Å; Y294-M298 HydrophobicContact CD1-CG 4.26Å; Y294-M298 HydrophobicContact CD2-CG 4.11Å; Y294-M298 HydrophobicContact CE1-CG 3.78Å; Y294-M298 HydrophobicContact CE2-CG 3.65Å; Y294-M298 HydrophobicContact CE2-SD 3.99Å; Y294-M298 HydrophobicContact CG-CG 4.41Å; Y294-M298 VanDerWaalsContact CZ-CG 3.45Å; Y294-M298 WeakPolarHBondContact O-CG 3.21Å; Y294-M298 PolarHBondContact O-N 3.35Å; Y294-D304 HydrophobicContact CD2-CB 4.04Å; Y294-D304 HydrophobicContact CE2-CB 3.9Å; Y294-E390 VanDerWaalsContact OH-CD 3.26Å; Y294-E390 PolarHBondContact OH-OE1 2.74Å; Y294-N425 PolarHBondContact N-O 3.27Å; Y294-F427 AromaticContact CD2-CD1 3.29Å; Y294-F427 HydrophobicContact CD2-CD1 3.29Å; Y294-F427 AromaticContact CD2-CE1 3.45Å; Y294-F427 HydrophobicContact CD2-CE1 3.45Å; Y294-F427 VanDerWaalsContact CD2-CE1 3.45Å; Y294-F427 HydrophobicContact CD2-CG 4.23Å; Y294-F427 HydrophobicContact CD2-CZ 4.46Å; Y294-F427 AromaticContact CE2-CD1 3.95Å; Y294-F427 HydrophobicContact CE2-CD1 3.95Å; Y294-F427 HydrophobicContact CE2-CE1 4.16Å; Y294-F427 AromaticContact CG-CD1 3.8Å; Y294-F427 HydrophobicContact CG-CD1 3.8Å; Y294-F427 HydrophobicContact CG-CE1 4.26Å; Y294-F427 HydrophobicContact CG-CG 4.32Å; Y294-P428 HydrophobicContact CD1-CG 4.26Å; Y294-P428 HydrophobicContact CE1-CG 4.06Å
295	C	96.6	Very high	97.5	Very high	63 Å²	63	48.5 Å²	48.5	43%	0.426	26%	0.26	S	S	.	.	H	α-helix	trans	-61	-38.6	177	58.4	0	0	0	0	112.6	Q293 S299	Q293-C295 VanDerWaalsContact CB-SG 3.57Å; Q293-C295 PolarHBondContact O-N 3.31Å; Q293-C295 PolarHBondContact OE1-SG 3.3Å; Q293-C295 VanDerWaalsContact OE1-SG 3.41Å; C295-S299 WeakPolarHBondContact O-CB 3.43Å; C295-S299 PolarHBondContact O-N 3.24Å; C295-S299 PolarHBondContact O-OG 3.04Å
296	D	98	Very high	97.6	Very high	59 Å²	59	47.5 Å²	47.5	32%	0.316	26%	0.255	S	S	.	.	H	α-helix	trans	-70.6	-34.9	175.4	-71.1	-31.7	0	0	0	112.3	M292 Q293 Y294 S299 R300	M292-D296 HydrophobicContact CG-CB 3.76Å; M292-D296 HydrophobicContact SD-CB 4.45Å; Q293-D296 HydrophobicContact CB-CB 4.43Å; Q293-D296 WeakPolarHBondContact O-CB 3.21Å; Q293-D296 PolarHBondContact O-N 3.21Å; Y294-D296 VanDerWaalsContact C-N 3.32Å; Y294-D296 PolarHBondContact O-N 3.14Å; D296-S299 WeakPolarHBondContact CA-OG 3.5Å; D296-S299 PolarHBondContact O-OG 3.3Å; D296-R300 WeakPolarHBondContact O-CB 3.23Å; D296-R300 VanDerWaalsContact O-CG 3.3Å; D296-R300 WeakPolarHBondContact O-CG 3.38Å; D296-R300 PolarHBondContact O-N 2.92Å; D296-R300 VanDerWaalsContact O-N 3.11Å; D296-R300 PolarHBondContact O-NE 3.12Å; D296-R300 VanDerWaalsContact O-NE 3.16Å
297	A	98.3	Very high	97.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67	-47.9	176.5	0	0	0	0	0	110.4	M292 Q293 Y294 Y301 G302 S303 P306 I424	M292-A297 HydrophobicContact CG-CB 4.19Å; M292-A297 WeakPolarHBondContact SD-CA 3.17Å; M292-A297 HydrophobicContact SD-CB 3.67Å; Q293-A297 PolarHBondContact O-N 2.66Å; Y294-A297 WeakPolarHBondContact O-CB 3.36Å; Y294-A297 PolarHBondContact O-N 2.93Å; Y294-A297 VanDerWaalsContact O-N 3.17Å; A297-Y301 WeakPolarHBondContact O-CA 3.45Å; A297-Y301 VanDerWaalsContact O-CB 3.32Å; A297-Y301 WeakPolarHBondContact O-CB 3.36Å; A297-Y301 PolarHBondContact O-N 2.7Å; A297-G302 PolarHBondContact O-N 3.44Å; A297-S303 CarbonylContact C-O 3.58Å; A297-S303 WeakPolarHBondContact CB-O 3.39Å; A297-P306 HydrophobicContact CB-CG 4.32Å; A297-I424 HydrophobicContact CB-CD1 3.99Å; A297-I424 HydrophobicContact CB-CG2 4.41Å
298	M	98.1	Very high	97.8	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-48.7	176.7	-68.2	-49.8	-54	0	0	112.2	Y294 R300 G302 S303 D304 E390 L393 K394	Y294-M298 HydrophobicContact CD1-CG 4.26Å; Y294-M298 HydrophobicContact CD2-CG 4.11Å; Y294-M298 HydrophobicContact CE1-CG 3.78Å; Y294-M298 HydrophobicContact CE2-CG 3.65Å; Y294-M298 HydrophobicContact CE2-SD 3.99Å; Y294-M298 HydrophobicContact CG-CG 4.41Å; Y294-M298 VanDerWaalsContact CZ-CG 3.45Å; Y294-M298 WeakPolarHBondContact O-CG 3.21Å; Y294-M298 PolarHBondContact O-N 3.35Å; M298-R300 PolarHBondContact O-N 3.13Å; M298-G302 VanDerWaalsContact O-CA 3.26Å; M298-G302 WeakPolarHBondContact O-CA 3.47Å; M298-G302 PolarHBondContact O-N 2.82Å; M298-S303 VanDerWaalsContact SD-C 3.58Å; M298-D304 HydrophobicContact SD-CB 4.32Å; M298-E390 HydrophobicContact CE-CG 4.07Å; M298-L393 HydrophobicContact CB-CD1 4.33Å; M298-L393 HydrophobicContact CE-CB 4.18Å; M298-K394 HydrophobicContact CE-CG 3.8Å
299	S	97.7	Very high	97.8	Very high	55 Å²	55	40.4 Å²	40.4	39%	0.385	20%	0.2	S	C	.	.	H	α-helix	trans	-70.3	-28.2	-175.4	60.5	0	0	0	0	113.8	C295 D296 F314	C295-S299 WeakPolarHBondContact O-CB 3.43Å; C295-S299 PolarHBondContact O-N 3.24Å; C295-S299 PolarHBondContact O-OG 3.04Å; D296-S299 WeakPolarHBondContact CA-OG 3.5Å; D296-S299 PolarHBondContact O-OG 3.3Å; S299-F314 VanDerWaalsContact O-CB 3.25Å; S299-F314 WeakPolarHBondContact O-CB 3.35Å
300	R	98	Very high	97.7	Very high	85 Å²	85	40.4 Å²	40.4	32%	0.321	20%	0.199	S	C	.	.	H	α-helix	trans	-100.2	-25.1	-178.1	-61.4	-175.7	-65.8	178.6	-5	114.6	M292 D296 M298 L313 F314	M292-R300 VanDerWaalsContact CG-NH2 3.33Å; M292-R300 PolarHBondContact SD-NH2 3.34Å; D296-R300 WeakPolarHBondContact O-CB 3.23Å; D296-R300 VanDerWaalsContact O-CG 3.3Å; D296-R300 WeakPolarHBondContact O-CG 3.38Å; D296-R300 PolarHBondContact O-N 2.92Å; D296-R300 VanDerWaalsContact O-N 3.11Å; D296-R300 PolarHBondContact O-NE 3.12Å; D296-R300 VanDerWaalsContact O-NE 3.16Å; M298-R300 PolarHBondContact O-N 3.13Å; R300-L313 WeakPolarHBondContact O-CA 3.38Å; R300-F314 WeakPolarHBondContact O-CG 3.41Å; R300-F314 PolarHBondContact O-N 3.28Å
301	Y	98.4	Very high	97.6	Very high	22 Å²	22	37.8 Å²	37.8	9%	0.086	20%	0.196	C	C	.	.	H	α-helix	trans	-128.8	-14.7	-173.3	-58.1	-93.3	0	0	0	114	M292 A297 S303 P306 V308 L313 F314 G397	M292-Y301 HydrophobicContact CE-CD2 4.43Å; M292-Y301 HydrophobicContact CE-CE2 3.61Å; M292-Y301 HydrophobicContact SD-CD2 4.06Å; M292-Y301 HydrophobicContact SD-CE2 3.74Å; A297-Y301 WeakPolarHBondContact O-CA 3.45Å; A297-Y301 VanDerWaalsContact O-CB 3.32Å; A297-Y301 WeakPolarHBondContact O-CB 3.36Å; A297-Y301 PolarHBondContact O-N 2.7Å; Y301-S303 PolarHBondContact O-N 2.84Å; Y301-P306 HydrophobicContact CD1-CB 3.72Å; Y301-P306 HydrophobicContact CD2-CB 3.76Å; Y301-P306 HydrophobicContact CD2-CG 4.24Å; Y301-P306 HydrophobicContact CE1-CB 4.32Å; Y301-P306 HydrophobicContact CE2-CB 4.38Å; Y301-P306 HydrophobicContact CG-CB 3.4Å; Y301-P306 VanDerWaalsContact CG-CB 3.4Å; Y301-P306 HydrophobicContact CG-CG 4.36Å; Y301-V308 HydrophobicContact CE1-CG1 4.27Å; Y301-L313 HydrophobicContact CD1-CD2 3.98Å; Y301-L313 HydrophobicContact CE1-CD2 3.33Å; Y301-L313 HydrophobicContact CE2-CD2 4.1Å; Y301-F314 VanDerWaalsContact C-CE2 3.46Å; Y301-F314 WeakPolarHBondContact O-CZ 3.48Å; Y301-G397 VanDerWaalsContact O-CA 3.27Å; Y301-G397 WeakPolarHBondContact O-CA 3.35Å
302	G	98.1	Very high	97.6	Very high	4 Å²	4	34 Å²	34	4%	0.041	18%	0.182	C	C	.	.	S	Bend	trans	68.7	21.8	-175.1	0	0	0	0	0	114.1	A297 M298 F314 L393 K394	A297-G302 PolarHBondContact O-N 3.44Å; M298-G302 VanDerWaalsContact O-CA 3.26Å; M298-G302 WeakPolarHBondContact O-CA 3.47Å; M298-G302 PolarHBondContact O-N 2.82Å; G302-F314 VanDerWaalsContact N-CE2 3.26Å; G302-L393 WeakPolarHBondContact CA-O 3.14Å; G302-K394 WeakPolarHBondContact O-CA 3.3Å
303	S	97.8	Very high	97.6	Very high	20 Å²	20	37.5 Å²	37.5	14%	0.14	20%	0.2	C	C	.	.			trans	-149.8	138.1	-176.2	-176.4	0	0	0	0	110.3	A297 M298 Y301 K305	A297-S303 CarbonylContact C-O 3.58Å; A297-S303 WeakPolarHBondContact CB-O 3.39Å; M298-S303 VanDerWaalsContact SD-C 3.58Å; Y301-S303 PolarHBondContact O-N 2.84Å; S303-K305 PolarHBondContact O-N 2.96Å; S303-K305 VanDerWaalsContact OG-C 3.32Å; S303-K305 PolarHBondContact OG-N 3.38Å; S303-K305 VanDerWaalsContact OG-N 3.17Å; S303-K305 PolarHBondContact OG-O 3.29Å; S303-K305 VanDerWaalsContact OG-O 3.09Å
304	D	96.8	Very high	97.6	Very high	50 Å²	50	34.8 Å²	34.8	27%	0.267	19%	0.187	S	C	.	.	S	Bend	trans	-76.1	-4.4	169.4	56.7	-8.7	0	0	0	113.3	Y294 M298 I424 F427	Y294-D304 HydrophobicContact CD2-CB 4.04Å; Y294-D304 HydrophobicContact CE2-CB 3.9Å; M298-D304 HydrophobicContact SD-CB 4.32Å; D304-I424 WeakPolarHBondContact O-CG1 3.16Å; D304-F427 HydrophobicContact CB-CE1 4.19Å
305	K	97.8	Very high	97.6	Very high	82 Å²	82	35 Å²	35	36%	0.357	19%	0.193	S	C	.	.	S	Bend	trans	-136.2	70.6	171.6	44.9	173.2	169.5	49.6	0	108.7	S303 V471 E476	S303-K305 PolarHBondContact O-N 2.96Å; S303-K305 VanDerWaalsContact OG-C 3.32Å; S303-K305 PolarHBondContact OG-N 3.38Å; S303-K305 VanDerWaalsContact OG-N 3.17Å; S303-K305 PolarHBondContact OG-O 3.29Å; S303-K305 VanDerWaalsContact OG-O 3.09Å; K305-V471 HydrophobicContact CB-CG1 3.95Å; K305-V471 HydrophobicContact CB-CG2 3.84Å; K305-E476 HydrophobicContact CD-CB 4.38Å
306	P	98	Very high	97.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.			trans	-70.3	139.4	-173.1	30.1	-35.2	0	0	0	110.8	M292 A297 Y301 V308 L422 I424	M292-P306 HydrophobicContact CE-CG 4.44Å; M292-P306 HydrophobicContact SD-CG 4.2Å; A297-P306 HydrophobicContact CB-CG 4.32Å; Y301-P306 HydrophobicContact CD1-CB 3.72Å; Y301-P306 HydrophobicContact CD2-CB 3.76Å; Y301-P306 HydrophobicContact CD2-CG 4.24Å; Y301-P306 HydrophobicContact CE1-CB 4.32Å; Y301-P306 HydrophobicContact CE2-CB 4.38Å; Y301-P306 HydrophobicContact CG-CB 3.4Å; Y301-P306 VanDerWaalsContact CG-CB 3.4Å; Y301-P306 HydrophobicContact CG-CG 4.36Å; P306-V308 HydrophobicContact CB-CG1 4.44Å; P306-V308 HydrophobicContact CG-CG1 4.31Å; P306-V308 PolarHBondContact O-N 3.19Å; P306-L422 HydrophobicContact CG-CD1 3.86Å; P306-I424 HydrophobicContact CG-CD1 4.17Å
307	D	97.7	Very high	97.5	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.064	18%	0.176	C	C	.	.			trans	-83.2	105	165.1	-169.1	-5.6	0	0	0	108.6	R309 F310 R400	D307-R309 VanDerWaalsContact C-N 3.34Å; D307-R309 WeakPolarHBondContact OD1-CB 3.16Å; D307-R309 WeakPolarHBondContact OD1-CG 3.36Å; D307-R309 IonicContact OD1-CZ 3.58Å; D307-R309 PolarHBondContact OD1-N 2.97Å; D307-R309 IonicContact OD1-NE 3.23Å; D307-R309 PolarHBondContact OD1-NE 2.79Å; D307-R309 IonicContact OD1-NH2 2.83Å; D307-R309 IonicContact OD2-CZ 2.87Å; D307-R309 IonicContact OD2-NE 3.48Å; D307-R309 PolarHBondContact OD2-NE 2.98Å; D307-R309 IonicContact OD2-NH2 3.77Å; D307-R309 PolarHBondContact OD2-NH2 3.36Å; D307-F310 HydrophobicContact CB-CD1 4.4Å; D307-F310 HydrophobicContact CB-CE1 3.77Å; D307-R400 PolarHBondContact O-NH1 3.27Å; D307-R400 PolarHBondContact O-NH2 3.23Å
308	V	97.2	Very high	97.3	Very high	28 Å²	28	37.6 Å²	37.6	17%	0.17	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-1.1	-176.3	-60.7	0	0	0	0	113.4	M292 Y301 P306 F310 H420 L422	M292-V308 HydrophobicContact CE-CG1 4.4Å; Y301-V308 HydrophobicContact CE1-CG1 4.27Å; P306-V308 HydrophobicContact CB-CG1 4.44Å; P306-V308 HydrophobicContact CG-CG1 4.31Å; P306-V308 PolarHBondContact O-N 3.19Å; V308-F310 PolarHBondContact O-N 3.11Å; V308-F310 VanDerWaalsContact O-N 3.14Å; V308-H420 HydrophobicContact CG2-CB 3.79Å; V308-L422 HydrophobicContact CG1-CD1 4.01Å; V308-L422 HydrophobicContact CG1-CD2 4.2Å; V308-L422 HydrophobicContact CG2-CD2 4.17Å
309	R	96.8	Very high	97.1	Very high	53 Å²	53	42.8 Å²	42.8	20%	0.2	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.9	178.5	-66.8	178.9	-66.7	163.3	7	113.8	D307 Y415 E416 H420 N473	D307-R309 VanDerWaalsContact C-N 3.34Å; D307-R309 WeakPolarHBondContact OD1-CB 3.16Å; D307-R309 WeakPolarHBondContact OD1-CG 3.36Å; D307-R309 IonicContact OD1-CZ 3.58Å; D307-R309 PolarHBondContact OD1-N 2.97Å; D307-R309 IonicContact OD1-NE 3.23Å; D307-R309 PolarHBondContact OD1-NE 2.79Å; D307-R309 IonicContact OD1-NH2 2.83Å; D307-R309 IonicContact OD2-CZ 2.87Å; D307-R309 IonicContact OD2-NE 3.48Å; D307-R309 PolarHBondContact OD2-NE 2.98Å; D307-R309 IonicContact OD2-NH2 3.77Å; D307-R309 PolarHBondContact OD2-NH2 3.36Å; R309-Y415 HydrophobicContact CB-CD1 4.15Å; R309-E416 HydrophobicContact CB-CB 4.32Å; R309-E416 WeakPolarHBondContact CD-O 3.44Å; R309-E416 WeakPolarHBondContact O-CB 3.3Å; R309-E416 WeakPolarHBondContact O-CG 3.39Å; R309-E416 PolarHBondContact O-N 2.95Å; R309-H420 HydrophobicContact CG-CB 4.21Å; R309-N473 WeakPolarHBondContact CD-OD1 3.43Å
310	F	97.4	Very high	96.7	Very high	11 Å²	11	42.1 Å²	42.1	5%	0.048	23%	0.231	C	C	.	.	S	Bend	trans	-145.2	162	179.5	68.8	-85.1	0	0	0	110.6	D307 V308 F312 R400 V401 A404 I414 Y415	D307-F310 HydrophobicContact CB-CD1 4.4Å; D307-F310 HydrophobicContact CB-CE1 3.77Å; V308-F310 PolarHBondContact O-N 3.11Å; V308-F310 VanDerWaalsContact O-N 3.14Å; F310-F312 AromaticContact CD2-CD2 3.84Å; F310-F312 HydrophobicContact CD2-CD2 3.84Å; F310-F312 HydrophobicContact CD2-CE2 4.22Å; F310-F312 HydrophobicContact CD2-CG 4.34Å; F310-F312 AromaticContact CE2-CD2 3.83Å; F310-F312 HydrophobicContact CE2-CD2 3.83Å; F310-F312 HydrophobicContact CE2-CE2 4.41Å; F310-R400 HydrophobicContact CE2-CG 3.69Å; F310-R400 HydrophobicContact CZ-CG 4.1Å; F310-R400 PolarHBondContact O-NH2 3.03Å; F310-V401 HydrophobicContact CZ-CG2 4.46Å; F310-A404 HydrophobicContact CD1-CB 4.33Å; F310-A404 HydrophobicContact CD2-CB 3.9Å; F310-A404 HydrophobicContact CE1-CB 3.95Å; F310-A404 HydrophobicContact CE2-CB 3.47Å; F310-A404 VanDerWaalsContact CE2-CB 3.47Å; F310-A404 HydrophobicContact CG-CB 4.3Å; F310-A404 HydrophobicContact CZ-CB 3.5Å; F310-A404 VanDerWaalsContact CZ-CB 3.5Å; F310-I414 HydrophobicContact CB-CG1 3.86Å; F310-I414 VanDerWaalsContact CB-O 3.3Å; F310-I414 WeakPolarHBondContact CB-O 3.47Å; F310-I414 HydrophobicContact CD2-CD1 4.48Å; F310-I414 HydrophobicContact CG-CG1 4.37Å; F310-Y415 AromaticContact CD1-CD1 3.71Å; F310-Y415 HydrophobicContact CD1-CD1 3.71Å; F310-Y415 AromaticContact CD1-CE1 3.51Å; F310-Y415 HydrophobicContact CD1-CE1 3.51Å; F310-Y415 HydrophobicContact CE1-CD1 4.31Å; F310-Y415 AromaticContact CE1-CE1 3.67Å; F310-Y415 HydrophobicContact CE1-CE1 3.67Å; F310-Y415 HydrophobicContact CG-CE1 4.45Å
311	G	94.8	Very high	96.6	Very high	41 Å²	41	39 Å²	39	42%	0.423	23%	0.226	S	C	.	.			trans	-76	-126.3	-176.2	0	0	0	0	0	114.3	R400	G311-R400 VanDerWaalsContact O-CZ 3.26Å; G311-R400 PolarHBondContact O-NE 2.77Å; G311-R400 PolarHBondContact O-NH2 2.86Å
312	F	97.4	Very high	96.5	Very high	18 Å²	18	39.7 Å²	39.7	8%	0.079	23%	0.23	C	C	.	.			trans	61.4	45.4	-177.1	-50.6	-17.6	0	0	0	112.6	F310 F325 N326 I327 Y331 R400 V403 I407 I414	F310-F312 AromaticContact CD2-CD2 3.84Å; F310-F312 HydrophobicContact CD2-CD2 3.84Å; F310-F312 HydrophobicContact CD2-CE2 4.22Å; F310-F312 HydrophobicContact CD2-CG 4.34Å; F310-F312 AromaticContact CE2-CD2 3.83Å; F310-F312 HydrophobicContact CE2-CD2 3.83Å; F310-F312 HydrophobicContact CE2-CE2 4.41Å; F312-F325 HydrophobicContact CB-CB 4.3Å; F312-F325 HydrophobicContact CB-CD2 3.69Å; F312-F325 HydrophobicContact CB-CE2 4.26Å; F312-F325 HydrophobicContact CB-CG 4.16Å; F312-F325 HydrophobicContact CD2-CE2 4.38Å; F312-F325 HydrophobicContact CG-CD2 4.14Å; F312-F325 HydrophobicContact CG-CE2 4.43Å; F312-F325 WeakPolarHBondContact O-CB 3.38Å; F312-N326 WeakPolarHBondContact CD1-O 3.48Å; F312-I327 HydrophobicContact CE1-CG2 4.37Å; F312-I327 HydrophobicContact CE2-CG1 4.49Å; F312-I327 HydrophobicContact CZ-CG1 4.45Å; F312-I327 HydrophobicContact CZ-CG2 4.1Å; F312-Y331 AromaticContact CE1-CD2 3.99Å; F312-Y331 HydrophobicContact CE1-CD2 3.99Å; F312-Y331 HydrophobicContact CE1-CE2 4.14Å; F312-Y331 AromaticContact CZ-CD2 3.78Å; F312-Y331 HydrophobicContact CZ-CD2 3.78Å; F312-Y331 HydrophobicContact CZ-CE2 4.09Å; F312-R400 HydrophobicContact CB-CG 3.99Å; F312-R400 HydrophobicContact CD2-CG 4.47Å; F312-R400 VanDerWaalsContact O-CD 3.31Å; F312-R400 WeakPolarHBondContact O-CD 3.27Å; F312-R400 PolarHBondContact O-NE 2.85Å; F312-V403 HydrophobicContact CD2-CG1 4.17Å; F312-V403 HydrophobicContact CE2-CG1 4.09Å; F312-I407 HydrophobicContact CE2-CD1 3.95Å; F312-I407 HydrophobicContact CZ-CD1 3.87Å; F312-I414 HydrophobicContact CE2-CD1 3.5Å; F312-I414 HydrophobicContact CZ-CD1 3.51Å
313	L	97.9	Very high	96.5	Very high	78 Å²	78	39.6 Å²	39.6	41%	0.408	23%	0.228	S	C	.	.			trans	-69.5	145.7	177.1	-56.8	-177.2	0	0	0	110.6	R300 Y301	R300-L313 WeakPolarHBondContact O-CA 3.38Å; Y301-L313 HydrophobicContact CD1-CD2 3.98Å; Y301-L313 HydrophobicContact CE1-CD2 3.33Å; Y301-L313 HydrophobicContact CE2-CD2 4.1Å
314	F	98.3	Very high	96.5	Very high	12 Å²	12	38.6 Å²	38.6	5%	0.053	22%	0.222	C	C	.	.			trans	-79.5	151.9	-178.5	-63	-1.1	0	0	0	111	S299 R300 Y301 G302 T323 G324 F325 L393 L396 R400	S299-F314 VanDerWaalsContact O-CB 3.25Å; S299-F314 WeakPolarHBondContact O-CB 3.35Å; R300-F314 WeakPolarHBondContact O-CG 3.41Å; R300-F314 PolarHBondContact O-N 3.28Å; Y301-F314 VanDerWaalsContact C-CE2 3.46Å; Y301-F314 WeakPolarHBondContact O-CZ 3.48Å; G302-F314 VanDerWaalsContact N-CE2 3.26Å; F314-T323 HydrophobicContact CB-CG2 3.94Å; F314-T323 HydrophobicContact CD2-CG2 4.05Å; F314-T323 HydrophobicContact CG-CG2 4.24Å; F314-G324 CarbonylContact C-O 3.58Å; F314-G324 VanDerWaalsContact CA-O 3.24Å; F314-G324 WeakPolarHBondContact CA-O 3.45Å; F314-F325 HydrophobicContact CD1-CB 3.89Å; F314-F325 AromaticContact CD1-CD1 3.86Å; F314-F325 HydrophobicContact CD1-CD1 3.86Å; F314-F325 HydrophobicContact CD1-CG 4.29Å; F314-F325 HydrophobicContact CE1-CB 4.3Å; F314-F325 AromaticContact CE1-CD1 3.47Å; F314-F325 HydrophobicContact CE1-CD1 3.47Å; F314-F325 VanDerWaalsContact CE1-CD1 3.47Å; F314-F325 HydrophobicContact CE1-CE1 4.13Å; F314-F325 HydrophobicContact CE1-CG 4.21Å; F314-F325 HydrophobicContact CZ-CD1 4.42Å; F314-L393 HydrophobicContact CD2-CD2 4.12Å; F314-L393 HydrophobicContact CE2-CD2 4.47Å; F314-L396 HydrophobicContact CD1-CD2 3.97Å; F314-L396 HydrophobicContact CD1-CG 4.39Å; F314-L396 HydrophobicContact CD2-CD2 3.75Å; F314-L396 HydrophobicContact CD2-CG 4.42Å; F314-L396 HydrophobicContact CE1-CD2 3.9Å; F314-L396 HydrophobicContact CE1-CG 3.83Å; F314-L396 HydrophobicContact CE2-CB 3.85Å; F314-L396 HydrophobicContact CE2-CD2 3.66Å; F314-L396 HydrophobicContact CE2-CG 3.84Å; F314-L396 HydrophobicContact CG-CD2 3.9Å; F314-L396 VanDerWaalsContact CZ-C 3.46Å; F314-L396 HydrophobicContact CZ-CB 3.78Å; F314-L396 HydrophobicContact CZ-CD2 3.75Å; F314-L396 HydrophobicContact CZ-CG 3.52Å; F314-R400 HydrophobicContact CE1-CB 4.1Å; F314-R400 HydrophobicContact CE1-CG 4.48Å; F314-R400 HydrophobicContact CZ-CB 4.41Å
315	S	97.6	Very high	96.6	Very high	34 Å²	34	36.2 Å²	36.2	24%	0.238	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.9	161.2	-67	0	0	0	0	108.7	T323 G324 L370	S315-T323 WeakPolarHBondContact O-CA 3.39Å; S315-G324 PolarHBondContact N-O 3.35Å; S315-G324 PolarHBondContact O-N 3.47Å; S315-L370 WeakPolarHBondContact O-CD1 3.45Å
316	Y	97.1	Very high	96.6	Very high	97 Å²	97	33.6 Å²	33.6	38%	0.38	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.8	175.3	171.6	-113.9	0	0	0	109.7	A318 H322 T323 L373 N388	Y316-A318 HydrophobicContact CE1-CB 3.98Å; Y316-H322 WeakPolarHBondContact CD2-O 3.28Å; Y316-T323 WeakPolarHBondContact CD2-OG1 3.43Å; Y316-L373 VanDerWaalsContact O-CD1 3.27Å; Y316-L373 WeakPolarHBondContact O-CD1 3.32Å; Y316-N388 HydrophobicContact CD2-CB 3.64Å; Y316-N388 VanDerWaalsContact CE1-ND2 3.31Å; Y316-N388 WeakPolarHBondContact CE1-ND2 3.26Å; Y316-N388 HydrophobicContact CE2-CB 3.69Å; Y316-N388 HydrophobicContact CG-CB 4.09Å
317	S	96	Very high	96.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.9	168	174.7	0	0	0	0	110.1	V319 D320 G321 H322 D369	S317-V319 VanDerWaalsContact C-N 3.26Å; S317-V319 PolarHBondContact OG-N 2.88Å; S317-D320 WeakPolarHBondContact CB-OD2 3.14Å; S317-D320 PolarHBondContact OG-N 2.8Å; S317-D320 PolarHBondContact OG-OD2 2.73Å; S317-D320 VanDerWaalsContact OG-OD2 3.09Å; S317-G321 VanDerWaalsContact O-CA 3.3Å; S317-G321 WeakPolarHBondContact O-CA 3.32Å; S317-G321 PolarHBondContact O-N 2.89Å; S317-H322 PolarHBondContact N-O 3.36Å; S317-H322 PolarHBondContact O-N 3.41Å; S317-D369 WeakPolarHBondContact CB-OD2 3.41Å; S317-D369 WeakPolarHBondContact OG-CB 3.08Å; S317-D369 PolarHBondContact OG-OD2 2.82Å
318	A	94.3	Very high	96.6	Very high	80 Å²	80	34.9 Å²	34.9	66%	0.661	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-23	170.6	0	0	0	0	0	112.6	Y316	Y316-A318 HydrophobicContact CE1-CB 3.98Å
319	V	93.3	Very high	96.5	Very high	117 Å²	117	40.8 Å²	40.8	71%	0.709	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-46.6	178.2	179	0	0	0	0	110.1	S317 D369	S317-V319 VanDerWaalsContact C-N 3.26Å; S317-V319 PolarHBondContact OG-N 2.88Å; V319-D369 HydrophobicContact CB-CB 3.89Å; V319-D369 HydrophobicContact CG1-CB 4.26Å; V319-D369 HydrophobicContact CG2-CB 4.35Å
320	D	91.1	Very high	96.4	Very high	40 Å²	40	44.7 Å²	44.7	21%	0.214	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-21.3	-179.1	-50.6	-49.4	0	0	0	112.6	S317 H322 L368 D369 L370	S317-D320 WeakPolarHBondContact CB-OD2 3.14Å; S317-D320 PolarHBondContact OG-N 2.8Å; S317-D320 PolarHBondContact OG-OD2 2.73Å; S317-D320 VanDerWaalsContact OG-OD2 3.09Å; D320-H322 VanDerWaalsContact C-N 3.34Å; D320-H322 HydrophobicContact CB-CB 4.37Å; D320-H322 WeakPolarHBondContact CB-ND1 3.44Å; D320-H322 PolarHBondContact O-CE1 2.99Å; D320-H322 VanDerWaalsContact O-CE1 3.23Å; D320-H322 PolarHBondContact O-ND1 3.45Å; D320-L368 HydrophobicContact CB-CD1 3.71Å; D320-L368 HydrophobicContact CB-CG 4.09Å; D320-L368 VanDerWaalsContact CG-CG 3.49Å; D320-L368 WeakPolarHBondContact OD1-CD1 3.43Å; D320-L368 VanDerWaalsContact OD2-CG 3.27Å; D320-L368 WeakPolarHBondContact OD2-CG 3.49Å; D320-D369 PolarHBondContact OD1-N 2.79Å; D320-D369 VanDerWaalsContact OD2-CA 3.31Å; D320-D369 WeakPolarHBondContact OD2-CA 3.41Å; D320-D369 WeakPolarHBondContact OD2-CB 3.15Å; D320-D369 PolarHBondContact OD2-N 2.95Å; D320-L370 PolarHBondContact OD2-N 2.87Å
321	G	95.3	Very high	96.4	Very high	20 Å²	20	45.7 Å²	45.7	21%	0.206	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	32.3	-170.9	0	0	0	0	0	112.9	S317 G387	S317-G321 VanDerWaalsContact O-CA 3.3Å; S317-G321 WeakPolarHBondContact O-CA 3.32Å; S317-G321 PolarHBondContact O-N 2.89Å; G321-G387 PolarHBondContact O-N 3.18Å
322	H	96.5	Very high	96.5	Very high	37 Å²	37	44.1 Å²	44.1	17%	0.171	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.2	-178.2	-65.7	89.8	0	0	0	111.9	Y316 S317 D320 L370 F384 I385	Y316-H322 WeakPolarHBondContact CD2-O 3.28Å; S317-H322 PolarHBondContact N-O 3.36Å; S317-H322 PolarHBondContact O-N 3.41Å; D320-H322 VanDerWaalsContact C-N 3.34Å; D320-H322 HydrophobicContact CB-CB 4.37Å; D320-H322 WeakPolarHBondContact CB-ND1 3.44Å; D320-H322 PolarHBondContact O-CE1 2.99Å; D320-H322 VanDerWaalsContact O-CE1 3.23Å; D320-H322 PolarHBondContact O-ND1 3.45Å; H322-L370 HydrophobicContact CB-CD2 3.96Å; H322-F384 HydrophobicContact CB-CD2 4.22Å; H322-F384 AromaticContact CD2-CD2 3.48Å; H322-F384 VanDerWaalsContact CD2-CD2 3.48Å; H322-F384 WeakPolarHBondContact CD2-CD2 3.45Å; H322-F384 AromaticContact CD2-CE2 3.6Å; H322-F384 AromaticContact NE2-CE2 3.95Å; H322-I385 CarbonylContact C-O 3.54Å; H322-I385 VanDerWaalsContact CA-O 3.29Å; H322-I385 WeakPolarHBondContact CA-O 3.31Å
323	T	98	Very high	96.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.9	167.9	-50.6	0	0	0	0	108.8	F314 S315 Y316 F384 I385 G387 L393 L396	F314-T323 HydrophobicContact CB-CG2 3.94Å; F314-T323 HydrophobicContact CD2-CG2 4.05Å; F314-T323 HydrophobicContact CG-CG2 4.24Å; S315-T323 WeakPolarHBondContact O-CA 3.39Å; Y316-T323 WeakPolarHBondContact CD2-OG1 3.43Å; T323-F384 CarbonylContact O-C 3.49Å; T323-F384 VanDerWaalsContact O-CA 3.24Å; T323-F384 WeakPolarHBondContact O-CA 3.49Å; T323-F384 WeakPolarHBondContact O-CB 3.24Å; T323-I385 PolarHBondContact N-O 2.83Å; T323-I385 PolarHBondContact O-N 2.87Å; T323-G387 WeakPolarHBondContact CB-O 3.48Å; T323-G387 PolarHBondContact OG1-O 3.35Å; T323-L393 HydrophobicContact CG2-CD2 3.87Å; T323-L396 HydrophobicContact CG2-CD2 3.74Å
324	G	97.9	Very high	96.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	174.1	178.2	0	0	0	0	0	113.6	F314 S315 L374 V383	F314-G324 CarbonylContact C-O 3.58Å; F314-G324 VanDerWaalsContact CA-O 3.24Å; F314-G324 WeakPolarHBondContact CA-O 3.45Å; S315-G324 PolarHBondContact N-O 3.35Å; S315-G324 PolarHBondContact O-N 3.47Å; G324-L374 WeakPolarHBondContact O-CD2 3.29Å; G324-V383 CarbonylContact C-O 3.45Å; G324-V383 WeakPolarHBondContact CA-O 3.08Å
325	F	98.3	Very high	96.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	159.3	172.6	62.7	-94.4	0	0	0	111.6	F312 F314 I327 V383 L396 A399 R400 V403	F312-F325 HydrophobicContact CB-CB 4.3Å; F312-F325 HydrophobicContact CB-CD2 3.69Å; F312-F325 HydrophobicContact CB-CE2 4.26Å; F312-F325 HydrophobicContact CB-CG 4.16Å; F312-F325 HydrophobicContact CD2-CE2 4.38Å; F312-F325 HydrophobicContact CG-CD2 4.14Å; F312-F325 HydrophobicContact CG-CE2 4.43Å; F312-F325 WeakPolarHBondContact O-CB 3.38Å; F314-F325 HydrophobicContact CD1-CB 3.89Å; F314-F325 AromaticContact CD1-CD1 3.86Å; F314-F325 HydrophobicContact CD1-CD1 3.86Å; F314-F325 HydrophobicContact CD1-CG 4.29Å; F314-F325 HydrophobicContact CE1-CB 4.3Å; F314-F325 AromaticContact CE1-CD1 3.47Å; F314-F325 HydrophobicContact CE1-CD1 3.47Å; F314-F325 VanDerWaalsContact CE1-CD1 3.47Å; F314-F325 HydrophobicContact CE1-CE1 4.13Å; F314-F325 HydrophobicContact CE1-CG 4.21Å; F314-F325 HydrophobicContact CZ-CD1 4.42Å; F325-I327 HydrophobicContact CD2-CG1 4.04Å; F325-I327 HydrophobicContact CE2-CD1 3.96Å; F325-I327 HydrophobicContact CE2-CG1 3.72Å; F325-V383 HydrophobicContact CD1-CB 4.24Å; F325-V383 HydrophobicContact CD2-CB 4.26Å; F325-V383 HydrophobicContact CD2-CG2 4.46Å; F325-V383 HydrophobicContact CE1-CB 3.76Å; F325-V383 HydrophobicContact CE1-CG1 3.78Å; F325-V383 HydrophobicContact CE2-CB 3.78Å; F325-V383 HydrophobicContact CE2-CG1 4.48Å; F325-V383 HydrophobicContact CE2-CG2 3.73Å; F325-V383 HydrophobicContact CG-CB 4.48Å; F325-V383 HydrophobicContact CZ-CB 3.51Å; F325-V383 HydrophobicContact CZ-CG1 3.72Å; F325-V383 HydrophobicContact CZ-CG2 3.76Å; F325-V383 PolarHBondContact N-O 3.07Å; F325-V383 PolarHBondContact O-N 2.92Å; F325-L396 HydrophobicContact CD1-CD1 3.8Å; F325-L396 HydrophobicContact CD1-CD2 4.24Å; F325-L396 HydrophobicContact CD1-CG 3.84Å; F325-L396 HydrophobicContact CE1-CD1 3.61Å; F325-L396 HydrophobicContact CE1-CG 3.89Å; F325-A399 HydrophobicContact CE1-CB 4.4Å; F325-A399 HydrophobicContact CZ-CB 4.46Å; F325-R400 HydrophobicContact CD1-CB 4.44Å; F325-R400 HydrophobicContact CE1-CB 3.91Å; F325-R400 HydrophobicContact CZ-CB 4.05Å; F325-V403 HydrophobicContact CE2-CG1 4.1Å; F325-V403 HydrophobicContact CZ-CG1 4.22Å
326	N	97.2	Very high	96	Very high	26 Å²	26	48.2 Å²	48.2	14%	0.139	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.1	179.7	-176.1	34	0	0	0	111.9	F312 P376 D380 L381	F312-N326 WeakPolarHBondContact CD1-O 3.48Å; N326-P376 WeakPolarHBondContact OD1-CB 3.2Å; N326-D380 PolarHBondContact ND2-OD2 3.38Å; N326-D380 WeakPolarHBondContact OD1-CB 3.48Å; N326-D380 PolarHBondContact OD1-OD2 2.8Å; N326-L381 PolarHBondContact OD1-O 3.1Å
327	I	97.8	Very high	95.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	109.5	170	-54.9	170.6	0	0	0	108	F312 F325 D380 L381 V383 V403 I407	F312-I327 HydrophobicContact CE1-CG2 4.37Å; F312-I327 HydrophobicContact CE2-CG1 4.49Å; F312-I327 HydrophobicContact CZ-CG1 4.45Å; F312-I327 HydrophobicContact CZ-CG2 4.1Å; F325-I327 HydrophobicContact CD2-CG1 4.04Å; F325-I327 HydrophobicContact CE2-CD1 3.96Å; F325-I327 HydrophobicContact CE2-CG1 3.72Å; I327-D380 WeakPolarHBondContact O-CA 3.37Å; I327-D380 WeakPolarHBondContact O-CB 3.05Å; I327-L381 HydrophobicContact CB-CB 4.17Å; I327-L381 HydrophobicContact CD1-CB 4.36Å; I327-L381 PolarHBondContact N-O 2.59Å; I327-L381 PolarHBondContact O-N 2.87Å; I327-V383 HydrophobicContact CD1-CG2 3.68Å; I327-V383 HydrophobicContact CG1-CG2 4.38Å; I327-V403 HydrophobicContact CD1-CB 4.43Å; I327-V403 HydrophobicContact CD1-CG1 4.06Å; I327-V403 HydrophobicContact CD1-CG2 3.66Å; I327-I407 HydrophobicContact CG2-CD1 4.21Å
328	P	97.3	Very high	95.8	Very high	39 Å²	39	55.3 Å²	55.3	25%	0.253	32%	0.315	S	S	.	.			trans	-58.2	149.5	-179.3	-28.7	37.3	0	0	0	114.3	K330 Y331 S332 D380	P328-K330 HydrophobicContact CB-CG 3.98Å; P328-K330 PolarHBondContact O-N 2.86Å; P328-Y331 PolarHBondContact O-N 2.85Å; P328-S332 PolarHBondContact O-N 2.9Å; P328-D380 WeakPolarHBondContact CA-OD1 3.29Å
329	R	95.9	Very high	96	Very high	153 Å²	153	52.8 Å²	52.8	58%	0.577	29%	0.29	S	S	*	.	H	α-helix	trans	-49.5	-36.2	-179.6	-172.2	178.6	175.1	-179.1	-2.6	114.2	Y331 S332 S333 C378 D380	R329-Y331 PolarHBondContact O-N 3Å; R329-S332 VanDerWaalsContact CA-OG 3.23Å; R329-S332 WeakPolarHBondContact CA-OG 3.27Å; R329-S332 PolarHBondContact O-N 3.3Å; R329-S333 VanDerWaalsContact O-CB 3.26Å; R329-S333 WeakPolarHBondContact O-CB 3.29Å; R329-S333 PolarHBondContact O-N 3.25Å; R329-S333 PolarHBondContact O-OG 3.18Å; R329-C378 WeakPolarHBondContact CD-O 3.36Å; R329-D380 PolarHBondContact N-OD1 2.95Å
330	K	95.9	Very high	96.1	Very high	134 Å²	134	48.5 Å²	48.5	58%	0.583	26%	0.263	S	S	*	.	H	α-helix	trans	-57.2	-27.7	177	59.5	166.8	175.2	165.7	0	113.3	P328	P328-K330 HydrophobicContact CB-CG 3.98Å; P328-K330 PolarHBondContact O-N 2.86Å
331	Y	97.4	Very high	96.4	Very high	32 Å²	32	47.8 Å²	47.8	13%	0.125	27%	0.265	C	S	.	.	H	α-helix	trans	-100	-47	175.3	-54.7	-49.1	0	0	0	111.5	F312 P328 R329 S333 N334 I407 L412 I414	F312-Y331 AromaticContact CE1-CD2 3.99Å; F312-Y331 HydrophobicContact CE1-CD2 3.99Å; F312-Y331 HydrophobicContact CE1-CE2 4.14Å; F312-Y331 AromaticContact CZ-CD2 3.78Å; F312-Y331 HydrophobicContact CZ-CD2 3.78Å; F312-Y331 HydrophobicContact CZ-CE2 4.09Å; P328-Y331 PolarHBondContact O-N 2.85Å; R329-Y331 PolarHBondContact O-N 3Å; Y331-S333 VanDerWaalsContact C-N 3.26Å; Y331-S333 PolarHBondContact O-N 2.71Å; Y331-N334 PolarHBondContact O-N 3.16Å; Y331-N334 VanDerWaalsContact O-N 3.08Å; Y331-I407 HydrophobicContact CD1-CG2 3.65Å; Y331-I407 HydrophobicContact CD2-CD1 4.45Å; Y331-I407 HydrophobicContact CE1-CG2 4.27Å; Y331-I407 HydrophobicContact CG-CD1 4.11Å; Y331-I407 HydrophobicContact CG-CG2 4.04Å; Y331-L412 HydrophobicContact CD1-CB 4.44Å; Y331-L412 HydrophobicContact CD1-CD1 4.26Å; Y331-I414 HydrophobicContact CE2-CD1 4.47Å
332	S	95.1	Very high	96.5	Very high	9 Å²	9	50 Å²	50	6%	0.063	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-29.6	-175.1	63.2	0	0	0	0	113.9	P328 R329 N334 L335 G379 L381	P328-S332 PolarHBondContact O-N 2.9Å; R329-S332 VanDerWaalsContact CA-OG 3.23Å; R329-S332 WeakPolarHBondContact CA-OG 3.27Å; R329-S332 PolarHBondContact O-N 3.3Å; S332-N334 PolarHBondContact O-N 2.98Å; S332-N334 VanDerWaalsContact O-N 3.12Å; S332-L335 WeakPolarHBondContact O-CB 3.44Å; S332-L335 PolarHBondContact O-N 2.66Å; S332-G379 PolarHBondContact OG-O 2.95Å; S332-L381 VanDerWaalsContact CB-CG 3.48Å
333	S	94.4	Very high	96.5	Very high	80 Å²	80	48.6 Å²	48.6	56%	0.559	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.7	176	52.1	0	0	0	0	114.2	R329 Y331	R329-S333 VanDerWaalsContact O-CB 3.26Å; R329-S333 WeakPolarHBondContact O-CB 3.29Å; R329-S333 PolarHBondContact O-N 3.25Å; R329-S333 PolarHBondContact O-OG 3.18Å; Y331-S333 VanDerWaalsContact C-N 3.26Å; Y331-S333 PolarHBondContact O-N 2.71Å
334	N	94.9	Very high	96.5	Very high	77 Å²	77	51.8 Å²	51.8	41%	0.412	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-0.9	175.2	-70.8	-86.5	0	0	0	112.7	Y331 S332 K410 L412	Y331-N334 PolarHBondContact O-N 3.16Å; Y331-N334 VanDerWaalsContact O-N 3.08Å; S332-N334 PolarHBondContact O-N 2.98Å; S332-N334 VanDerWaalsContact O-N 3.12Å; N334-K410 HydrophobicContact CB-CD 4.22Å; N334-K410 WeakPolarHBondContact O-CD 3.09Å; N334-K410 VanDerWaalsContact O-CE 3.31Å; N334-K410 WeakPolarHBondContact O-CE 3.32Å; N334-K410 PolarHBondContact O-NZ 3.48Å; N334-L412 HydrophobicContact CB-CD1 3.84Å
335	L	96.1	Very high	96.5	Very high	19 Å²	19	56.6 Å²	56.6	10%	0.099	31%	0.312	C	S	.	.			trans	-96	123.6	177.4	-59	-179.9	0	0	0	109.8	S332 L340 L381 V403 L406 I407 K410	S332-L335 WeakPolarHBondContact O-CB 3.44Å; S332-L335 PolarHBondContact O-N 2.66Å; L335-L340 HydrophobicContact CB-CD2 4.18Å; L335-L340 HydrophobicContact CD1-CD2 4.16Å; L335-L381 HydrophobicContact CB-CD1 4.46Å; L335-L381 HydrophobicContact CD1-CD1 4.03Å; L335-V403 HydrophobicContact CD1-CG2 3.88Å; L335-L406 HydrophobicContact CD2-CD2 3.98Å; L335-L406 HydrophobicContact CD2-CG 4.03Å; L335-I407 HydrophobicContact CD1-CG1 4.43Å; L335-I407 HydrophobicContact CD2-CG1 4.23Å; L335-K410 HydrophobicContact CD2-CD 4.36Å
336	S	95.4	Very high	96.5	Very high	52 Å²	52	58.6 Å²	58.6	36%	0.364	32%	0.322	S	S	.	.			trans	-82.6	166.4	176.9	70.5	0	0	0	0	111.5	E338 D339 L340	S336-E338 PolarHBondContact O-N 2.82Å; S336-E338 PolarHBondContact OG-N 3.47Å; S336-D339 VanDerWaalsContact CB-OD2 3.32Å; S336-D339 WeakPolarHBondContact CB-OD2 2.94Å; S336-D339 PolarHBondContact N-OD2 3.11Å; S336-D339 WeakPolarHBondContact O-CB 3.34Å; S336-D339 PolarHBondContact O-N 2.77Å; S336-D339 PolarHBondContact OG-N 2.67Å; S336-D339 VanDerWaalsContact OG-N 3.15Å; S336-D339 PolarHBondContact OG-OD2 2.94Å; S336-L340 WeakPolarHBondContact O-CG 3.5Å; S336-L340 PolarHBondContact O-N 3.27Å
337	A	94.3	Very high	96.5	Very high	90 Å²	90	57.3 Å²	57.3	74%	0.744	32%	0.316	S	S	*	.	H	α-helix	trans	-61	-32.5	172.9	0	0	0	0	0	112.6	L340 G341	A337-L340 PolarHBondContact O-N 2.71Å; A337-G341 PolarHBondContact O-N 3.19Å
338	E	96.5	Very high	96.6	Very high	155 Å²	155	61.2 Å²	61.2	72%	0.724	33%	0.332	S	S	*	.	H	α-helix	trans	-67.7	-39.1	176.3	-176.5	176.1	-173.9	0	0	111.9	S336 L340 G341 S342	S336-E338 PolarHBondContact O-N 2.82Å; S336-E338 PolarHBondContact OG-N 3.47Å; E338-L340 VanDerWaalsContact C-N 3.33Å; E338-L340 PolarHBondContact O-N 3.17Å; E338-G341 PolarHBondContact O-N 3Å; E338-S342 VanDerWaalsContact O-CB 3.24Å; E338-S342 WeakPolarHBondContact O-CB 3.38Å; E338-S342 PolarHBondContact O-N 3.14Å; E338-S342 PolarHBondContact O-OG 3.34Å
339	D	97	Very high	96.6	Very high	27 Å²	27	67.5 Å²	67.5	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-59.1	-45.8	173.8	-69.9	-56.4	0	0	0	111.4	S336 S342 L343 L406 K410	S336-D339 VanDerWaalsContact CB-OD2 3.32Å; S336-D339 WeakPolarHBondContact CB-OD2 2.94Å; S336-D339 PolarHBondContact N-OD2 3.11Å; S336-D339 WeakPolarHBondContact O-CB 3.34Å; S336-D339 PolarHBondContact O-N 2.77Å; S336-D339 PolarHBondContact OG-N 2.67Å; S336-D339 VanDerWaalsContact OG-N 3.15Å; S336-D339 PolarHBondContact OG-OD2 2.94Å; D339-S342 PolarHBondContact O-N 2.77Å; D339-L343 WeakPolarHBondContact O-CB 3.35Å; D339-L343 PolarHBondContact O-N 2.93Å; D339-L406 HydrophobicContact CB-CD2 3.73Å; D339-K410 IonicContact OD1-NZ 3.56Å; D339-K410 IonicContact OD2-NZ 2.67Å; D339-K410 PolarHBondContact OD2-NZ 2.71Å
340	L	96.6	Very high	96.6	Very high	28 Å²	28	65.3 Å²	65.3	15%	0.147	35%	0.35	C	S	.	.	H	α-helix	trans	-68.8	-45.3	-179.2	-58.4	-174.9	0	0	0	111.5	L335 S336 A337 E338 S342 L343 E344 I357 L381	L335-L340 HydrophobicContact CB-CD2 4.18Å; L335-L340 HydrophobicContact CD1-CD2 4.16Å; S336-L340 WeakPolarHBondContact O-CG 3.5Å; S336-L340 PolarHBondContact O-N 3.27Å; A337-L340 PolarHBondContact O-N 2.71Å; E338-L340 VanDerWaalsContact C-N 3.33Å; E338-L340 PolarHBondContact O-N 3.17Å; L340-S342 VanDerWaalsContact C-N 3.32Å; L340-S342 PolarHBondContact O-N 2.93Å; L340-L343 WeakPolarHBondContact O-CB 3.43Å; L340-L343 PolarHBondContact O-N 2.85Å; L340-E344 WeakPolarHBondContact O-CG 3.48Å; L340-E344 PolarHBondContact O-N 3.04Å; L340-I357 HydrophobicContact CB-CD1 4.18Å; L340-I357 HydrophobicContact CD1-CG2 4Å; L340-I357 HydrophobicContact CD2-CD1 4.25Å; L340-I357 HydrophobicContact CD2-CG2 4.26Å; L340-L381 HydrophobicContact CD1-CD1 3.91Å; L340-L381 HydrophobicContact CD1-CD2 3.9Å; L340-L381 HydrophobicContact CD2-CD1 3.8Å; L340-L381 HydrophobicContact CG-CD1 4.47Å
341	G	97.1	Very high	96.6	Very high	25 Å²	25	60.8 Å²	60.8	26%	0.258	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-41.2	175.1	0	0	0	0	0	112.3	A337 E338 L343 E344 D345	A337-G341 PolarHBondContact O-N 3.19Å; E338-G341 PolarHBondContact O-N 3Å; G341-L343 VanDerWaalsContact C-N 3.3Å; G341-L343 PolarHBondContact O-N 2.95Å; G341-E344 PolarHBondContact O-N 2.77Å; G341-D345 WeakPolarHBondContact O-CB 3.47Å; G341-D345 PolarHBondContact O-N 2.85Å
342	S	96.9	Very high	96.5	Very high	65 Å²	65	61.5 Å²	61.5	46%	0.455	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-37.2	175.5	-62.5	0	0	0	0	112.4	E338 D339 L340 L346	E338-S342 VanDerWaalsContact O-CB 3.24Å; E338-S342 WeakPolarHBondContact O-CB 3.38Å; E338-S342 PolarHBondContact O-N 3.14Å; E338-S342 PolarHBondContact O-OG 3.34Å; D339-S342 PolarHBondContact O-N 2.77Å; L340-S342 VanDerWaalsContact C-N 3.32Å; L340-S342 PolarHBondContact O-N 2.93Å; S342-L346 WeakPolarHBondContact O-CB 3.39Å; S342-L346 PolarHBondContact O-N 2.96Å
343	L	97.5	Very high	96.6	Very high	8 Å²	8	63.5 Å²	63.5	4%	0.042	36%	0.359	C	S	.	.	H	α-helix	trans	-66.8	-46.8	175.7	-179.1	64.5	0	0	0	111.5	D339 L340 G341 D345 L346 V347 I355 I357 E402 V403	D339-L343 WeakPolarHBondContact O-CB 3.35Å; D339-L343 PolarHBondContact O-N 2.93Å; L340-L343 WeakPolarHBondContact O-CB 3.43Å; L340-L343 PolarHBondContact O-N 2.85Å; G341-L343 VanDerWaalsContact C-N 3.3Å; G341-L343 PolarHBondContact O-N 2.95Å; L343-D345 PolarHBondContact O-N 2.89Å; L343-L346 PolarHBondContact O-N 3.41Å; L343-V347 HydrophobicContact CD1-CG2 4.39Å; L343-V347 WeakPolarHBondContact O-CG2 3.35Å; L343-V347 PolarHBondContact O-N 3.33Å; L343-I355 HydrophobicContact CG-CD1 4.25Å; L343-I357 HydrophobicContact CD2-CD1 3.88Å; L343-I357 HydrophobicContact CG-CD1 4.44Å; L343-E402 HydrophobicContact CD1-CB 3.7Å; L343-V403 HydrophobicContact CD2-CB 3.86Å; L343-V403 HydrophobicContact CD2-CG2 4.09Å
344	E	97.8	Very high	96.8	Very high	68 Å²	68	67.9 Å²	67.9	32%	0.318	36%	0.363	S	S	.	.	H	α-helix	trans	-58.7	-46.9	176.2	-67	-176.4	142.4	0	0	111.3	L340 G341 V347 F348 I355 I357	L340-E344 WeakPolarHBondContact O-CG 3.48Å; L340-E344 PolarHBondContact O-N 3.04Å; G341-E344 PolarHBondContact O-N 2.77Å; E344-V347 PolarHBondContact O-N 3.47Å; E344-F348 WeakPolarHBondContact O-CB 3.31Å; E344-F348 PolarHBondContact O-N 3.26Å; E344-I355 HydrophobicContact CB-CG1 4.47Å; E344-I355 HydrophobicContact CG-CD1 4.3Å; E344-I355 HydrophobicContact CG-CG1 4.1Å; E344-I357 HydrophobicContact CG-CD1 3.8Å; E344-I357 HydrophobicContact CG-CG1 4.03Å; E344-I357 PolarHBondContact OE1-N 3.4Å
345	D	97.8	Very high	96.9	Very high	101 Å²	101	64.5 Å²	64.5	54%	0.54	35%	0.346	S	S	.	.	H	α-helix	trans	-65	-39.2	178.4	-79.1	-19	0	0	0	112.7	G341 L343 R349	G341-D345 WeakPolarHBondContact O-CB 3.47Å; G341-D345 PolarHBondContact O-N 2.85Å; L343-D345 PolarHBondContact O-N 2.89Å; D345-R349 WeakPolarHBondContact O-CB 3.34Å; D345-R349 PolarHBondContact O-N 3.16Å
346	L	97.7	Very high	96.9	Very high	42 Å²	42	66.2 Å²	66.2	22%	0.22	36%	0.359	C	S	.	.	H	α-helix	trans	-63.4	-48.9	177.5	178.8	64.7	0	0	0	111	S342 L343 R349 L350 E402	S342-L346 WeakPolarHBondContact O-CB 3.39Å; S342-L346 PolarHBondContact O-N 2.96Å; L343-L346 PolarHBondContact O-N 3.41Å; L346-R349 PolarHBondContact O-N 3.01Å; L346-L350 HydrophobicContact CD1-CD1 3.68Å; L346-L350 HydrophobicContact CD1-CG 4.17Å; L346-L350 HydrophobicContact CG-CD1 4.11Å; L346-L350 WeakPolarHBondContact O-CG 3.49Å; L346-L350 PolarHBondContact O-N 2.8Å; L346-E402 HydrophobicContact CD2-CB 4.3Å; L346-E402 HydrophobicContact CD2-CG 3.88Å
347	V	98	Very high	97	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-45.5	-179.6	173.7	0	0	0	0	110.4	L343 E344 R349 L350 T351 I355 A395 A399	L343-V347 HydrophobicContact CD1-CG2 4.39Å; L343-V347 WeakPolarHBondContact O-CG2 3.35Å; L343-V347 PolarHBondContact O-N 3.33Å; E344-V347 PolarHBondContact O-N 3.47Å; V347-R349 PolarHBondContact O-N 3.13Å; V347-L350 PolarHBondContact O-N 3.24Å; V347-T351 WeakPolarHBondContact O-CB 3.45Å; V347-T351 PolarHBondContact O-N 2.84Å; V347-T351 PolarHBondContact O-OG1 3.4Å; V347-I355 HydrophobicContact CB-CD1 4.3Å; V347-I355 HydrophobicContact CB-CG1 4.36Å; V347-I355 HydrophobicContact CG1-CG1 4.41Å; V347-I355 HydrophobicContact CG1-CG2 4.02Å; V347-I355 HydrophobicContact CG2-CD1 4.03Å; V347-A395 HydrophobicContact CG1-CB 4.15Å; V347-A399 HydrophobicContact CG2-CB 3.83Å
348	F	98.1	Very high	96.9	Very high	81 Å²	81	64 Å²	64	36%	0.355	33%	0.327	S	S	.	.	H	α-helix	trans	-60.9	-44.1	177.4	-178.8	-110.4	0	0	0	112.1	E344 L350 G352 Q353 R354	E344-F348 WeakPolarHBondContact O-CB 3.31Å; E344-F348 PolarHBondContact O-N 3.26Å; F348-L350 PolarHBondContact O-N 2.87Å; F348-G352 WeakPolarHBondContact CE2-O 3.45Å; F348-G352 WeakPolarHBondContact O-CA 3.21Å; F348-G352 PolarHBondContact O-N 3.23Å; F348-Q353 VanDerWaalsContact CA-O 3.26Å; F348-Q353 WeakPolarHBondContact CA-O 3.43Å; F348-R354 HydrophobicContact CD2-CG 3.58Å; F348-R354 HydrophobicContact CE2-CG 3.95Å; F348-R354 HydrophobicContact CG-CG 4.41Å
349	R	97.6	Very high	96.8	Very high	172 Å²	172	60 Å²	60	65%	0.649	31%	0.313	S	S	*	.	H	α-helix	trans	-63	-39.8	179.6	-168.5	-165.8	-37.6	142.4	12.1	112.9	D345 L346 V347	D345-R349 WeakPolarHBondContact O-CB 3.34Å; D345-R349 PolarHBondContact O-N 3.16Å; L346-R349 PolarHBondContact O-N 3.01Å; V347-R349 PolarHBondContact O-N 3.13Å
350	L	95.9	Very high	96.6	Very high	106 Å²	106	58.9 Å²	58.9	56%	0.555	31%	0.307	S	S	*	.	H	α-helix	trans	-87.6	-24.2	-174.6	-66.5	-179.4	0	0	0	113.7	L346 V347 F348 M398	L346-L350 HydrophobicContact CD1-CD1 3.68Å; L346-L350 HydrophobicContact CD1-CG 4.17Å; L346-L350 HydrophobicContact CG-CD1 4.11Å; L346-L350 WeakPolarHBondContact O-CG 3.49Å; L346-L350 PolarHBondContact O-N 2.8Å; V347-L350 PolarHBondContact O-N 3.24Å; F348-L350 PolarHBondContact O-N 2.87Å; L350-M398 HydrophobicContact CB-CE 3.91Å; L350-M398 HydrophobicContact CB-SD 3.76Å; L350-M398 HydrophobicContact CD1-CE 4.18Å; L350-M398 HydrophobicContact CD1-SD 3.72Å; L350-M398 HydrophobicContact CG-SD 4.38Å
351	T	95.6	Very high	96	Very high	40 Å²	40	65 Å²	65	25%	0.245	34%	0.336	C	S	.	.	H	α-helix	trans	-124	-14.2	-171.9	71.6	0	0	0	0	114.3	V347 Q353 A395 M398	V347-T351 WeakPolarHBondContact O-CB 3.45Å; V347-T351 PolarHBondContact O-N 2.84Å; V347-T351 PolarHBondContact O-OG1 3.4Å; T351-Q353 PolarHBondContact O-N 3.16Å; T351-Q353 WeakPolarHBondContact OG1-CB 3.43Å; T351-Q353 PolarHBondContact OG1-N 3.43Å; T351-Q353 VanDerWaalsContact OG1-N 3.14Å; T351-A395 HydrophobicContact CG2-CB 4.13Å; T351-M398 HydrophobicContact CG2-CE 3.55Å; T351-M398 HydrophobicContact CG2-SD 3.72Å
352	G	96.2	Very high	95	Very high	46 Å²	46	69.4 Å²	69.4	47%	0.474	35%	0.353	S	S	.	.	S	Bend	trans	71.2	-2.7	-170	0	0	0	0	0	114.2	F348	F348-G352 WeakPolarHBondContact CE2-O 3.45Å; F348-G352 WeakPolarHBondContact O-CA 3.21Å; F348-G352 PolarHBondContact O-N 3.23Å
353	Q	97.5	Very high	93.5	Very high	52 Å²	52	71.4 Å²	71.4	24%	0.243	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-95.2	142.8	-177.3	-57.9	-52.5	-50.6	0	0	111.5	F348 T351 I385 I391 A395	F348-Q353 VanDerWaalsContact CA-O 3.26Å; F348-Q353 WeakPolarHBondContact CA-O 3.43Å; T351-Q353 PolarHBondContact O-N 3.16Å; T351-Q353 WeakPolarHBondContact OG1-CB 3.43Å; T351-Q353 PolarHBondContact OG1-N 3.43Å; T351-Q353 VanDerWaalsContact OG1-N 3.14Å; Q353-I385 HydrophobicContact CB-CD1 3.79Å; Q353-I385 HydrophobicContact CG-CD1 4.4Å; Q353-I391 HydrophobicContact CG-CG2 3.89Å; Q353-A395 HydrophobicContact CB-CB 3.52Å; Q353-A395 HydrophobicContact CG-CB 3.69Å
354	R	97.5	Very high	91.5	Very high	171 Å²	171	78.5 Å²	78.5	65%	0.645	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-100.2	119.9	176.1	-68.1	-174.4	177.9	-83.7	-3	109.7	F348	F348-R354 HydrophobicContact CD2-CG 3.58Å; F348-R354 HydrophobicContact CE2-CG 3.95Å; F348-R354 HydrophobicContact CG-CG 4.41Å
355	I	97.9	Very high	89.4	Confident	7 Å²	7	81 Å²	81	4%	0.036	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-89.5	165	164	58.3	165.1	0	0	0	109.2	L343 E344 V347 I357 V383 F384 I385 L396 A399	L343-I355 HydrophobicContact CG-CD1 4.25Å; E344-I355 HydrophobicContact CB-CG1 4.47Å; E344-I355 HydrophobicContact CG-CD1 4.3Å; E344-I355 HydrophobicContact CG-CG1 4.1Å; V347-I355 HydrophobicContact CB-CD1 4.3Å; V347-I355 HydrophobicContact CB-CG1 4.36Å; V347-I355 HydrophobicContact CG1-CG1 4.41Å; V347-I355 HydrophobicContact CG1-CG2 4.02Å; V347-I355 HydrophobicContact CG2-CD1 4.03Å; I355-I357 HydrophobicContact CD1-CD1 4.25Å; I355-I357 HydrophobicContact CD1-CG1 4.42Å; I355-V383 HydrophobicContact CB-CG1 4.42Å; I355-V383 HydrophobicContact CD1-CG1 3.97Å; I355-F384 CarbonylContact C-O 3.39Å; I355-F384 WeakPolarHBondContact CA-O 3.18Å; I355-I385 HydrophobicContact CG2-CB 4.38Å; I355-I385 HydrophobicContact CG2-CD1 4.39Å; I355-L396 HydrophobicContact CG2-CD1 4.33Å; I355-A399 HydrophobicContact CD1-CB 3.83Å
356	S	96.7	Very high	87.2	Confident	55 Å²	55	83.9 Å²	83.9	39%	0.385	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.6	172.3	-65.9	0	0	0	0	109.5	V383 F384	S356-V383 WeakPolarHBondContact O-CA 3.24Å; S356-F384 VanDerWaalsContact CB-CZ 3.46Å; S356-F384 PolarHBondContact N-O 2.93Å; S356-F384 WeakPolarHBondContact O-CD1 3.31Å; S356-F384 PolarHBondContact O-N 3.09Å
357	I	96.7	Very high	85.8	Confident	27 Å²	27	84.5 Å²	84.5	14%	0.138	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.8	-177.4	-48.4	178.8	0	0	0	109.5	L340 L343 E344 I355 L381 V382 V383	L340-I357 HydrophobicContact CB-CD1 4.18Å; L340-I357 HydrophobicContact CD1-CG2 4Å; L340-I357 HydrophobicContact CD2-CD1 4.25Å; L340-I357 HydrophobicContact CD2-CG2 4.26Å; L343-I357 HydrophobicContact CD2-CD1 3.88Å; L343-I357 HydrophobicContact CG-CD1 4.44Å; E344-I357 HydrophobicContact CG-CD1 3.8Å; E344-I357 HydrophobicContact CG-CG1 4.03Å; E344-I357 PolarHBondContact OE1-N 3.4Å; I355-I357 HydrophobicContact CD1-CD1 4.25Å; I355-I357 HydrophobicContact CD1-CG1 4.42Å; I357-L381 HydrophobicContact CG2-CB 4.35Å; I357-L381 HydrophobicContact CG2-CD2 4.12Å; I357-V382 WeakPolarHBondContact CA-O 3.43Å; I357-V383 HydrophobicContact CD1-CG2 4.36Å; I357-V383 HydrophobicContact CG1-CG1 4.18Å; I357-V383 HydrophobicContact CG1-CG2 4.09Å; I357-V383 HydrophobicContact CG2-CG2 4.13Å
358	F	93.1	Very high	84.8	Confident	68 Å²	68	87.2 Å²	87.2	30%	0.298	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.4	171.3	69.8	-82.4	0	0	0	112.8	V360 L371 L381 V382 F384	F358-V360 HydrophobicContact CE2-CG2 4.24Å; F358-L371 HydrophobicContact CE2-CD1 4.4Å; F358-L371 HydrophobicContact CE2-CD2 4.35Å; F358-L371 HydrophobicContact CZ-CD1 4.15Å; F358-L371 HydrophobicContact CZ-CD2 3.85Å; F358-L371 HydrophobicContact CZ-CG 4.44Å; F358-L381 WeakPolarHBondContact O-CA 3.36Å; F358-V382 HydrophobicContact CD1-CB 4.26Å; F358-V382 HydrophobicContact CE1-CB 3.79Å; F358-V382 HydrophobicContact CE1-CG1 3.87Å; F358-V382 HydrophobicContact CE2-CB 4.45Å; F358-V382 HydrophobicContact CZ-CB 3.92Å; F358-V382 HydrophobicContact CZ-CG1 4.18Å; F358-V382 HydrophobicContact CZ-CG2 4.39Å; F358-V382 PolarHBondContact N-O 3.17Å; F358-V382 VanDerWaalsContact N-O 3.11Å; F358-V382 PolarHBondContact O-N 3.19Å; F358-F384 HydrophobicContact CD1-CD1 4.02Å; F358-F384 AromaticContact CD1-CE1 3.56Å; F358-F384 HydrophobicContact CD1-CE1 3.56Å; F358-F384 AromaticContact CE1-CD1 3.8Å; F358-F384 HydrophobicContact CE1-CD1 3.8Å; F358-F384 AromaticContact CE1-CE1 3.58Å; F358-F384 HydrophobicContact CE1-CE1 3.58Å; F358-F384 HydrophobicContact CE1-CZ 4.47Å
359	T	93.4	Very high	84.5	Confident	70 Å²	70	85.6 Å²	85.6	43%	0.429	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.5	174.8	-45.7	0	0	0	0	110.9	Q361 D380 L381	T359-Q361 PolarHBondContact O-N 2.81Å; T359-D380 WeakPolarHBondContact CA-O 3.28Å; T359-L381 HydrophobicContact CG2-CD2 4.45Å; T359-L381 WeakPolarHBondContact OG1-CD2 3.45Å
360	V	92	Very high	84.3	Confident	4 Å²	4	77.4 Å²	77.4	2%	0.024	41%	0.408	C	S	.	.			trans	-76.9	103	175.9	-178.3	0	0	0	0	109.4	F358 I363 P376 G379 D380 V382	F358-V360 HydrophobicContact CE2-CG2 4.24Å; V360-I363 HydrophobicContact CG1-CG1 3.99Å; V360-P376 HydrophobicContact CG2-CB 3.94Å; V360-P376 HydrophobicContact CG2-CG 3.86Å; V360-G379 PolarHBondContact O-N 2.89Å; V360-D380 PolarHBondContact N-O 3.16Å; V360-V382 HydrophobicContact CG2-CG2 3.88Å
361	Q	85.6	Confident	84.1	Confident	158 Å²	158	72.9 Å²	72.9	74%	0.738	39%	0.385	S	S	*	.			trans	-90.1	-31.8	-177.9	-65.6	-176.7	-2.3	0	0	114	T359 C378	T359-Q361 PolarHBondContact O-N 2.81Å; Q361-C378 PolarHBondContact O-SG 2.86Å
362	N	74.9	Confident	83.9	Confident	117 Å²	117	75.6 Å²	75.6	63%	0.626	40%	0.398	S	S	*	.			trans	-163.6	131.7	175.1	-96.4	-39.3	0	0	0	109.6	K364 Q367	N362-K364 PolarHBondContact O-N 2.6Å; N362-Q367 PolarHBondContact O-NE2 2.82Å
363	I	65	Low	83.8	Confident	107 Å²	107	77.1 Å²	77.1	55%	0.549	40%	0.395	S	S	.	.			trans	-83.8	88.7	175.1	-52.1	171.6	0	0	0	107.8	V360 P376	V360-I363 HydrophobicContact CG1-CG1 3.99Å; I363-P376 WeakPolarHBondContact CD1-O 3.47Å
364	K	57.2	Low	83.7	Confident	157 Å²	157	75.7 Å²	75.7	68%	0.683	39%	0.388	S	S	*	.			trans	-91.5	155.6	169.1	-74.3	-170.2	179.7	-179	0	110.1	N362 N366 Q367	N362-K364 PolarHBondContact O-N 2.6Å; K364-N366 VanDerWaalsContact C-N 3.29Å; K364-N366 PolarHBondContact O-N 2.82Å; K364-N366 VanDerWaalsContact O-N 3.12Å; K364-Q367 VanDerWaalsContact O-CG 3.24Å; K364-Q367 WeakPolarHBondContact O-CG 3.3Å
365	S	53.7	Low	83.5	Confident	120 Å²	120	75.6 Å²	75.6	84%	0.839	39%	0.393	S	S	*	.	S	Bend	trans	-62.2	-16.5	-169.6	55.7	0	0	0	0	117.4	Q367	S365-Q367 PolarHBondContact O-N 3.26Å
366	N	51.7	Low	83.3	Confident	161 Å²	161	75.4 Å²	75.4	86%	0.861	39%	0.392	S	S	*	.	S	Bend	trans	-101.9	49.4	-178.5	-71.5	5.9	0	0	0	112	K364	K364-N366 VanDerWaalsContact C-N 3.29Å; K364-N366 PolarHBondContact O-N 2.82Å; K364-N366 VanDerWaalsContact O-N 3.12Å
367	Q	67.1	Low	83.1	Confident	56 Å²	56	79.5 Å²	79.5	26%	0.262	41%	0.405	S	S	.	.			trans	-97.7	154.4	-175.4	-89	-177.6	-1.6	0	0	113.1	N362 K364 S365 D369 L371	N362-Q367 PolarHBondContact O-NE2 2.82Å; K364-Q367 VanDerWaalsContact O-CG 3.24Å; K364-Q367 WeakPolarHBondContact O-CG 3.3Å; S365-Q367 PolarHBondContact O-N 3.26Å; Q367-D369 PolarHBondContact O-N 2.9Å; Q367-L371 HydrophobicContact CB-CB 4.47Å; Q367-L371 HydrophobicContact CB-CD1 3.89Å; Q367-L371 HydrophobicContact CG-CD1 3.84Å
368	L	78	Confident	82.9	Confident	56 Å²	56	81.4 Å²	81.4	29%	0.293	42%	0.42	S	S	.	.			trans	-41.1	127.7	167.8	-158.7	69.5	0	0	0	109.3	D320 L370 L371	D320-L368 HydrophobicContact CB-CD1 3.71Å; D320-L368 HydrophobicContact CB-CG 4.09Å; D320-L368 VanDerWaalsContact CG-CG 3.49Å; D320-L368 WeakPolarHBondContact OD1-CD1 3.43Å; D320-L368 VanDerWaalsContact OD2-CG 3.27Å; D320-L368 WeakPolarHBondContact OD2-CG 3.49Å; L368-L370 HydrophobicContact CD2-CB 4.03Å; L368-L370 HydrophobicContact CD2-CD2 4.19Å; L368-L370 HydrophobicContact CG-CB 4.07Å; L368-L370 PolarHBondContact O-N 3.3Å; L368-L370 VanDerWaalsContact O-N 3.14Å; L368-L371 HydrophobicContact CB-CD1 4.19Å; L368-L371 HydrophobicContact CB-CG 4.21Å; L368-L371 WeakPolarHBondContact O-CB 3.28Å; L368-L371 PolarHBondContact O-N 3.06Å
369	D	91.5	Very high	82.9	Confident	47 Å²	47	79 Å²	79	25%	0.251	41%	0.414	S	S	.	.	H	α-helix	trans	-55.7	-30.9	-180	173.1	69.9	0	0	0	112.4	S317 V319 D320 Q367 L371 N372 L373	S317-D369 WeakPolarHBondContact CB-OD2 3.41Å; S317-D369 WeakPolarHBondContact OG-CB 3.08Å; S317-D369 PolarHBondContact OG-OD2 2.82Å; V319-D369 HydrophobicContact CB-CB 3.89Å; V319-D369 HydrophobicContact CG1-CB 4.26Å; V319-D369 HydrophobicContact CG2-CB 4.35Å; D320-D369 PolarHBondContact OD1-N 2.79Å; D320-D369 VanDerWaalsContact OD2-CA 3.31Å; D320-D369 WeakPolarHBondContact OD2-CA 3.41Å; D320-D369 WeakPolarHBondContact OD2-CB 3.15Å; D320-D369 PolarHBondContact OD2-N 2.95Å; Q367-D369 PolarHBondContact O-N 2.9Å; D369-L371 PolarHBondContact O-N 3.17Å; D369-N372 VanDerWaalsContact O-CB 3.31Å; D369-N372 WeakPolarHBondContact O-CB 3.33Å; D369-N372 PolarHBondContact O-N 3.16Å; D369-L373 PolarHBondContact O-N 3.27Å
370	L	92.5	Very high	83	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-52.1	-36.5	170.6	-179	62	0	0	0	113	S315 D320 H322 L368 N372 L373 L374 F384	S315-L370 WeakPolarHBondContact O-CD1 3.45Å; D320-L370 PolarHBondContact OD2-N 2.87Å; H322-L370 HydrophobicContact CB-CD2 3.96Å; L368-L370 HydrophobicContact CD2-CB 4.03Å; L368-L370 HydrophobicContact CD2-CD2 4.19Å; L368-L370 HydrophobicContact CG-CB 4.07Å; L368-L370 PolarHBondContact O-N 3.3Å; L368-L370 VanDerWaalsContact O-N 3.14Å; L370-N372 VanDerWaalsContact C-N 3.34Å; L370-L373 PolarHBondContact O-N 3.46Å; L370-L374 HydrophobicContact CD1-CD1 3.99Å; L370-L374 HydrophobicContact CD1-CG 4.09Å; L370-L374 HydrophobicContact CD2-CD1 4.4Å; L370-L374 HydrophobicContact CG-CD1 3.88Å; L370-L374 HydrophobicContact CG-CG 4.33Å; L370-L374 WeakPolarHBondContact O-CB 3.43Å; L370-L374 WeakPolarHBondContact O-CG 3.25Å; L370-L374 PolarHBondContact O-N 3.47Å; L370-F384 HydrophobicContact CD2-CB 3.83Å; L370-F384 HydrophobicContact CD2-CG 4.37Å
371	L	92.6	Very high	83.2	Confident	11 Å²	11	75.8 Å²	75.8	6%	0.058	40%	0.395	C	S	.	.	H	α-helix	trans	-71.1	-30.4	178.1	-64.3	173.5	0	0	0	112.2	F358 Q367 L368 D369 L373 K375 P376 V382	F358-L371 HydrophobicContact CE2-CD1 4.4Å; F358-L371 HydrophobicContact CE2-CD2 4.35Å; F358-L371 HydrophobicContact CZ-CD1 4.15Å; F358-L371 HydrophobicContact CZ-CD2 3.85Å; F358-L371 HydrophobicContact CZ-CG 4.44Å; Q367-L371 HydrophobicContact CB-CB 4.47Å; Q367-L371 HydrophobicContact CB-CD1 3.89Å; Q367-L371 HydrophobicContact CG-CD1 3.84Å; L368-L371 HydrophobicContact CB-CD1 4.19Å; L368-L371 HydrophobicContact CB-CG 4.21Å; L368-L371 WeakPolarHBondContact O-CB 3.28Å; L368-L371 PolarHBondContact O-N 3.06Å; D369-L371 PolarHBondContact O-N 3.17Å; L371-L373 VanDerWaalsContact C-N 3.3Å; L371-K375 WeakPolarHBondContact O-CA 3.27Å; L371-K375 PolarHBondContact O-N 3.06Å; L371-P376 HydrophobicContact CD2-CG 3.72Å; L371-P376 VanDerWaalsContact O-CD 3.29Å; L371-P376 WeakPolarHBondContact O-CD 3.48Å; L371-V382 HydrophobicContact CD2-CG1 4.42Å; L371-V382 HydrophobicContact CD2-CG2 3.79Å
372	N	91.4	Very high	83.8	Confident	97 Å²	97	68.3 Å²	68.3	52%	0.519	36%	0.359	S	S	.	.	H	α-helix	trans	-67.8	-33.7	172.8	-62.3	-35.8	0	0	0	111.7	D369 L370 K375	D369-N372 VanDerWaalsContact O-CB 3.31Å; D369-N372 WeakPolarHBondContact O-CB 3.33Å; D369-N372 PolarHBondContact O-N 3.16Å; L370-N372 VanDerWaalsContact C-N 3.34Å; N372-K375 VanDerWaalsContact O-CG 3.23Å; N372-K375 WeakPolarHBondContact O-CG 3.25Å
373	L	94	Very high	84.9	Confident	78 Å²	78	62.7 Å²	62.7	41%	0.408	33%	0.33	S	S	.	.	H	α-helix	trans	-74.4	-47	176.9	-62.1	172	0	0	0	111.6	Y316 D369 L370 L371	Y316-L373 VanDerWaalsContact O-CD1 3.27Å; Y316-L373 WeakPolarHBondContact O-CD1 3.32Å; D369-L373 PolarHBondContact O-N 3.27Å; L370-L373 PolarHBondContact O-N 3.46Å; L371-L373 VanDerWaalsContact C-N 3.3Å
374	L	94.7	Very high	86.4	Confident	22 Å²	22	59.1 Å²	59.1	12%	0.115	31%	0.31	C	S	.	.	H	α-helix	trans	-74.3	-26.9	-178.1	-70.8	178.8	0	0	0	113.9	G324 L370 V382	G324-L374 WeakPolarHBondContact O-CD2 3.29Å; L370-L374 HydrophobicContact CD1-CD1 3.99Å; L370-L374 HydrophobicContact CD1-CG 4.09Å; L370-L374 HydrophobicContact CD2-CD1 4.4Å; L370-L374 HydrophobicContact CG-CD1 3.88Å; L370-L374 HydrophobicContact CG-CG 4.33Å; L370-L374 WeakPolarHBondContact O-CB 3.43Å; L370-L374 WeakPolarHBondContact O-CG 3.25Å; L370-L374 PolarHBondContact O-N 3.47Å; L374-V382 HydrophobicContact CD1-CG1 3.78Å; L374-V382 HydrophobicContact CD1-CG2 4.48Å
375	K	93.5	Very high	88.4	Confident	169 Å²	169	51.9 Å²	51.9	74%	0.735	28%	0.279	S	S	*	.			trans	47.4	51.8	-177.4	-56.5	178.9	-179.1	175.7	0	113.3	L371 N372	L371-K375 WeakPolarHBondContact O-CA 3.27Å; L371-K375 PolarHBondContact O-N 3.06Å; N372-K375 VanDerWaalsContact O-CG 3.23Å; N372-K375 WeakPolarHBondContact O-CG 3.25Å
376	P	93.8	Very high	90.4	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.026	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-70.1	153.1	-179.8	32.8	-35.5	0	0	0	111.6	N326 V360 I363 L371 D380 V382	N326-P376 WeakPolarHBondContact OD1-CB 3.2Å; V360-P376 HydrophobicContact CG2-CB 3.94Å; V360-P376 HydrophobicContact CG2-CG 3.86Å; I363-P376 WeakPolarHBondContact CD1-O 3.47Å; L371-P376 HydrophobicContact CD2-CG 3.72Å; L371-P376 VanDerWaalsContact O-CD 3.29Å; L371-P376 WeakPolarHBondContact O-CD 3.48Å; P376-D380 HydrophobicContact CB-CB 4.06Å; P376-V382 HydrophobicContact CB-CG2 4.05Å; P376-V382 HydrophobicContact CG-CG2 4.02Å
377	E	92.9	Very high	92.5	Very high	141 Å²	141	46.8 Å²	46.8	66%	0.659	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-91.9	165.8	173.3	-65	-175.6	179.9	0	0	111.9	G379 D380	E377-G379 PolarHBondContact O-N 3.4Å; E377-D380 PolarHBondContact N-OD2 2.93Å; E377-D380 VanDerWaalsContact O-CB 3.25Å; E377-D380 WeakPolarHBondContact O-CB 3.32Å; E377-D380 PolarHBondContact O-N 3.06Å; E377-D380 VanDerWaalsContact O-N 3.09Å
378	C	92.5	Very high	93.9	Very high	66 Å²	66	47.6 Å²	47.6	45%	0.446	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	124.9	175.2	-176.4	0	0	0	0	111.2	R329 Q361	R329-C378 WeakPolarHBondContact CD-O 3.36Å; Q361-C378 PolarHBondContact O-SG 2.86Å
379	G	92.8	Very high	94.7	Very high	17 Å²	17	48.2 Å²	48.2	18%	0.175	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-4.2	-176.2	0	0	0	0	0	114.2	S332 V360 E377	S332-G379 PolarHBondContact OG-O 2.95Å; V360-G379 PolarHBondContact O-N 2.89Å; E377-G379 PolarHBondContact O-N 3.4Å
380	D	96	Very high	94.8	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	25%	0.254	C	S	.	.			trans	-68.8	156.1	169.5	-69.3	2.6	0	0	0	111.1	N326 I327 P328 R329 T359 V360 P376 E377	N326-D380 PolarHBondContact ND2-OD2 3.38Å; N326-D380 WeakPolarHBondContact OD1-CB 3.48Å; N326-D380 PolarHBondContact OD1-OD2 2.8Å; I327-D380 WeakPolarHBondContact O-CA 3.37Å; I327-D380 WeakPolarHBondContact O-CB 3.05Å; P328-D380 WeakPolarHBondContact CA-OD1 3.29Å; R329-D380 PolarHBondContact N-OD1 2.95Å; T359-D380 WeakPolarHBondContact CA-O 3.28Å; V360-D380 PolarHBondContact N-O 3.16Å; P376-D380 HydrophobicContact CB-CB 4.06Å; E377-D380 PolarHBondContact N-OD2 2.93Å; E377-D380 VanDerWaalsContact O-CB 3.25Å; E377-D380 WeakPolarHBondContact O-CB 3.32Å; E377-D380 PolarHBondContact O-N 3.06Å; E377-D380 VanDerWaalsContact O-N 3.09Å
381	L	96.8	Very high	94.9	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.6	167.7	-67.9	166.1	0	0	0	109.8	N326 I327 S332 L335 L340 I357 F358 T359	N326-L381 PolarHBondContact OD1-O 3.1Å; I327-L381 HydrophobicContact CB-CB 4.17Å; I327-L381 HydrophobicContact CD1-CB 4.36Å; I327-L381 PolarHBondContact N-O 2.59Å; I327-L381 PolarHBondContact O-N 2.87Å; S332-L381 VanDerWaalsContact CB-CG 3.48Å; L335-L381 HydrophobicContact CB-CD1 4.46Å; L335-L381 HydrophobicContact CD1-CD1 4.03Å; L340-L381 HydrophobicContact CD1-CD1 3.91Å; L340-L381 HydrophobicContact CD1-CD2 3.9Å; L340-L381 HydrophobicContact CD2-CD1 3.8Å; L340-L381 HydrophobicContact CG-CD1 4.47Å; I357-L381 HydrophobicContact CG2-CB 4.35Å; I357-L381 HydrophobicContact CG2-CD2 4.12Å; F358-L381 WeakPolarHBondContact O-CA 3.36Å; T359-L381 HydrophobicContact CG2-CD2 4.45Å; T359-L381 WeakPolarHBondContact OG1-CD2 3.45Å
382	V	96.7	Very high	95.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124	169.8	174.9	0	0	0	0	108.4	I357 F358 V360 L371 L374 P376 F384	I357-V382 WeakPolarHBondContact CA-O 3.43Å; F358-V382 HydrophobicContact CD1-CB 4.26Å; F358-V382 HydrophobicContact CE1-CB 3.79Å; F358-V382 HydrophobicContact CE1-CG1 3.87Å; F358-V382 HydrophobicContact CE2-CB 4.45Å; F358-V382 HydrophobicContact CZ-CB 3.92Å; F358-V382 HydrophobicContact CZ-CG1 4.18Å; F358-V382 HydrophobicContact CZ-CG2 4.39Å; F358-V382 PolarHBondContact N-O 3.17Å; F358-V382 VanDerWaalsContact N-O 3.11Å; F358-V382 PolarHBondContact O-N 3.19Å; V360-V382 HydrophobicContact CG2-CG2 3.88Å; L371-V382 HydrophobicContact CD2-CG1 4.42Å; L371-V382 HydrophobicContact CD2-CG2 3.79Å; L374-V382 HydrophobicContact CD1-CG1 3.78Å; L374-V382 HydrophobicContact CD1-CG2 4.48Å; P376-V382 HydrophobicContact CB-CG2 4.05Å; P376-V382 HydrophobicContact CG-CG2 4.02Å; V382-F384 HydrophobicContact CG1-CB 4.5Å; V382-F384 HydrophobicContact CG1-CD1 4.37Å
383	V	98.1	Very high	95.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.5	173.7	-176.4	0	0	0	0	107.5	G324 F325 I327 I355 S356 I357 L396 A399	G324-V383 CarbonylContact C-O 3.45Å; G324-V383 WeakPolarHBondContact CA-O 3.08Å; F325-V383 HydrophobicContact CD1-CB 4.24Å; F325-V383 HydrophobicContact CD2-CB 4.26Å; F325-V383 HydrophobicContact CD2-CG2 4.46Å; F325-V383 HydrophobicContact CE1-CB 3.76Å; F325-V383 HydrophobicContact CE1-CG1 3.78Å; F325-V383 HydrophobicContact CE2-CB 3.78Å; F325-V383 HydrophobicContact CE2-CG1 4.48Å; F325-V383 HydrophobicContact CE2-CG2 3.73Å; F325-V383 HydrophobicContact CG-CB 4.48Å; F325-V383 HydrophobicContact CZ-CB 3.51Å; F325-V383 HydrophobicContact CZ-CG1 3.72Å; F325-V383 HydrophobicContact CZ-CG2 3.76Å; F325-V383 PolarHBondContact N-O 3.07Å; F325-V383 PolarHBondContact O-N 2.92Å; I327-V383 HydrophobicContact CD1-CG2 3.68Å; I327-V383 HydrophobicContact CG1-CG2 4.38Å; I355-V383 HydrophobicContact CB-CG1 4.42Å; I355-V383 HydrophobicContact CD1-CG1 3.97Å; S356-V383 WeakPolarHBondContact O-CA 3.24Å; I357-V383 HydrophobicContact CD1-CG2 4.36Å; I357-V383 HydrophobicContact CG1-CG1 4.18Å; I357-V383 HydrophobicContact CG1-CG2 4.09Å; I357-V383 HydrophobicContact CG2-CG2 4.13Å; V383-L396 HydrophobicContact CG1-CD1 4.01Å; V383-A399 HydrophobicContact CG1-CB 4.37Å
384	F	97.7	Very high	95.7	Very high	31 Å²	31	52.2 Å²	52.2	14%	0.136	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	162	-175	72.3	-77.3	0	0	0	112.7	H322 T323 I355 S356 F358 L370 V382	H322-F384 HydrophobicContact CB-CD2 4.22Å; H322-F384 AromaticContact CD2-CD2 3.48Å; H322-F384 VanDerWaalsContact CD2-CD2 3.48Å; H322-F384 WeakPolarHBondContact CD2-CD2 3.45Å; H322-F384 AromaticContact CD2-CE2 3.6Å; H322-F384 AromaticContact NE2-CE2 3.95Å; T323-F384 CarbonylContact O-C 3.49Å; T323-F384 VanDerWaalsContact O-CA 3.24Å; T323-F384 WeakPolarHBondContact O-CA 3.49Å; T323-F384 WeakPolarHBondContact O-CB 3.24Å; I355-F384 CarbonylContact C-O 3.39Å; I355-F384 WeakPolarHBondContact CA-O 3.18Å; S356-F384 VanDerWaalsContact CB-CZ 3.46Å; S356-F384 PolarHBondContact N-O 2.93Å; S356-F384 WeakPolarHBondContact O-CD1 3.31Å; S356-F384 PolarHBondContact O-N 3.09Å; F358-F384 HydrophobicContact CD1-CD1 4.02Å; F358-F384 AromaticContact CD1-CE1 3.56Å; F358-F384 HydrophobicContact CD1-CE1 3.56Å; F358-F384 AromaticContact CE1-CD1 3.8Å; F358-F384 HydrophobicContact CE1-CD1 3.8Å; F358-F384 AromaticContact CE1-CE1 3.58Å; F358-F384 HydrophobicContact CE1-CE1 3.58Å; F358-F384 HydrophobicContact CE1-CZ 4.47Å; L370-F384 HydrophobicContact CD2-CB 3.83Å; L370-F384 HydrophobicContact CD2-CG 4.37Å; V382-F384 HydrophobicContact CG1-CB 4.5Å; V382-F384 HydrophobicContact CG1-CD1 4.37Å
385	I	97.8	Very high	95.9	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.1	177.3	-168.8	162.1	0	0	0	109.2	H322 T323 Q353 I355 E392 A395 L396	H322-I385 CarbonylContact C-O 3.54Å; H322-I385 VanDerWaalsContact CA-O 3.29Å; H322-I385 WeakPolarHBondContact CA-O 3.31Å; T323-I385 PolarHBondContact N-O 2.83Å; T323-I385 PolarHBondContact O-N 2.87Å; Q353-I385 HydrophobicContact CB-CD1 3.79Å; Q353-I385 HydrophobicContact CG-CD1 4.4Å; I355-I385 HydrophobicContact CG2-CB 4.38Å; I355-I385 HydrophobicContact CG2-CD1 4.39Å; I385-E392 HydrophobicContact CD1-CB 3.75Å; I385-E392 HydrophobicContact CD1-CG 3.96Å; I385-E392 HydrophobicContact CG1-CB 4.13Å; I385-E392 HydrophobicContact CG1-CG 4.23Å; I385-E392 HydrophobicContact CG2-CB 4.09Å; I385-A395 HydrophobicContact CD1-CB 4.11Å; I385-L396 HydrophobicContact CG2-CB 4.08Å; I385-L396 HydrophobicContact CG2-CD1 4.39Å; I385-L396 HydrophobicContact CG2-CD2 4.13Å; I385-L396 HydrophobicContact CG2-CG 4.44Å
386	K	96.9	Very high	96.1	Very high	157 Å²	157	43.1 Å²	43.1	68%	0.683	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	125.2	173.5	-175.9	179.8	179.8	179.1	0	109.8	E392	K386-E392 WeakPolarHBondContact O-CG 3.45Å
387	G	95.4	Very high	96.3	Very high	17 Å²	17	43.1 Å²	43.1	18%	0.175	22%	0.224	C	C	.	.			trans	102.6	173.8	-177.7	0	0	0	0	0	113.8	G321 T323	G321-G387 PolarHBondContact O-N 3.18Å; T323-G387 WeakPolarHBondContact CB-O 3.48Å; T323-G387 PolarHBondContact OG1-O 3.35Å
388	N	95.6	Very high	96.6	Very high	72 Å²	72	39.1 Å²	39.1	39%	0.385	21%	0.206	S	C	.	.			trans	-146.8	20.1	-178	68	-17.2	0	0	0	112.2	Y316 E392 L393	Y316-N388 HydrophobicContact CD2-CB 3.64Å; Y316-N388 VanDerWaalsContact CE1-ND2 3.31Å; Y316-N388 WeakPolarHBondContact CE1-ND2 3.26Å; Y316-N388 HydrophobicContact CE2-CB 3.69Å; Y316-N388 HydrophobicContact CG-CB 4.09Å; N388-E392 PolarHBondContact N-OE2 3.02Å; N388-L393 WeakPolarHBondContact O-CD1 3.41Å
389	T	95.4	Very high	96.9	Very high	69 Å²	69	36 Å²	36	42%	0.423	19%	0.185	S	C	.	.	S	Bend	trans	-73.2	166.2	172.5	78.7	0	0	0	0	110	I391 E392 L393	T389-I391 PolarHBondContact O-N 2.88Å; T389-I391 VanDerWaalsContact O-N 3.15Å; T389-I391 PolarHBondContact OG1-N 2.88Å; T389-E392 WeakPolarHBondContact CA-OE2 3.49Å; T389-E392 WeakPolarHBondContact CB-OE2 3.25Å; T389-E392 VanDerWaalsContact CG2-OE2 3.29Å; T389-E392 WeakPolarHBondContact CG2-OE2 3.47Å; T389-E392 PolarHBondContact N-OE2 3.41Å; T389-E392 PolarHBondContact O-N 2.93Å; T389-E392 VanDerWaalsContact O-N 3.13Å; T389-E392 PolarHBondContact OG1-OE1 2.82Å; T389-E392 PolarHBondContact OG1-OE2 3.46Å; T389-L393 WeakPolarHBondContact O-CB 3.29Å; T389-L393 VanDerWaalsContact O-CG 3.3Å; T389-L393 WeakPolarHBondContact O-CG 3.36Å; T389-L393 PolarHBondContact O-N 3.2Å
390	E	93.6	Very high	97.1	Very high	69 Å²	69	35.2 Å²	35.2	32%	0.322	18%	0.177	S	C	.	.	H	α-helix	trans	-55.8	-33.3	179.2	-167.1	177.1	168.9	0	0	113	Y294 M298 K394	Y294-E390 VanDerWaalsContact OH-CD 3.26Å; Y294-E390 PolarHBondContact OH-OE1 2.74Å; M298-E390 HydrophobicContact CE-CG 4.07Å; E390-K394 HydrophobicContact CG-CD 4.02Å; E390-K394 HydrophobicContact CG-CG 4.4Å; E390-K394 VanDerWaalsContact O-CB 3.26Å; E390-K394 WeakPolarHBondContact O-CB 3.46Å; E390-K394 WeakPolarHBondContact O-CG 3.5Å; E390-K394 PolarHBondContact O-N 3.02Å; E390-K394 WeakPolarHBondContact OE1-CE 3.19Å; E390-K394 IonicContact OE1-NZ 2.95Å; E390-K394 PolarHBondContact OE1-NZ 3.28Å
391	I	95.4	Very high	97.2	Very high	105 Å²	105	36.9 Å²	36.9	54%	0.538	19%	0.187	S	C	.	.	H	α-helix	trans	-65.9	-48.6	178.2	-62.1	174.5	0	0	0	110.5	Q353 T389 A395	Q353-I391 HydrophobicContact CG-CG2 3.89Å; T389-I391 PolarHBondContact O-N 2.88Å; T389-I391 VanDerWaalsContact O-N 3.15Å; T389-I391 PolarHBondContact OG1-N 2.88Å; I391-A395 PolarHBondContact O-N 3.14Å; I391-A395 VanDerWaalsContact O-N 3.16Å
392	E	98	Very high	97.3	Very high	34 Å²	34	39.3 Å²	39.3	16%	0.159	20%	0.198	C	C	.	.	H	α-helix	trans	-70.7	-39	179.9	-63.7	103.3	-157.7	0	0	112	I385 K386 N388 T389 A395 L396	I385-E392 HydrophobicContact CD1-CB 3.75Å; I385-E392 HydrophobicContact CD1-CG 3.96Å; I385-E392 HydrophobicContact CG1-CB 4.13Å; I385-E392 HydrophobicContact CG1-CG 4.23Å; I385-E392 HydrophobicContact CG2-CB 4.09Å; K386-E392 WeakPolarHBondContact O-CG 3.45Å; N388-E392 PolarHBondContact N-OE2 3.02Å; T389-E392 WeakPolarHBondContact CA-OE2 3.49Å; T389-E392 WeakPolarHBondContact CB-OE2 3.25Å; T389-E392 VanDerWaalsContact CG2-OE2 3.29Å; T389-E392 WeakPolarHBondContact CG2-OE2 3.47Å; T389-E392 PolarHBondContact N-OE2 3.41Å; T389-E392 PolarHBondContact O-N 2.93Å; T389-E392 VanDerWaalsContact O-N 3.13Å; T389-E392 PolarHBondContact OG1-OE1 2.82Å; T389-E392 PolarHBondContact OG1-OE2 3.46Å; E392-A395 PolarHBondContact O-N 3.36Å; E392-L396 PolarHBondContact O-N 2.9Å
393	L	98.4	Very high	97.3	Very high	15 Å²	15	39.3 Å²	39.3	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-43.9	176.4	-68	177.4	0	0	0	111.3	M298 G302 F314 T323 N388 T389 A395 L396 G397	M298-L393 HydrophobicContact CB-CD1 4.33Å; M298-L393 HydrophobicContact CE-CB 4.18Å; G302-L393 WeakPolarHBondContact CA-O 3.14Å; F314-L393 HydrophobicContact CD2-CD2 4.12Å; F314-L393 HydrophobicContact CE2-CD2 4.47Å; T323-L393 HydrophobicContact CG2-CD2 3.87Å; N388-L393 WeakPolarHBondContact O-CD1 3.41Å; T389-L393 WeakPolarHBondContact O-CB 3.29Å; T389-L393 VanDerWaalsContact O-CG 3.3Å; T389-L393 WeakPolarHBondContact O-CG 3.36Å; T389-L393 PolarHBondContact O-N 3.2Å; L393-A395 VanDerWaalsContact C-N 3.31Å; L393-A395 PolarHBondContact O-N 2.93Å; L393-L396 PolarHBondContact O-N 3.13Å; L393-G397 PolarHBondContact O-N 3.01Å
394	K	97.9	Very high	97.3	Very high	94 Å²	94	39.3 Å²	39.3	41%	0.409	20%	0.198	S	C	.	.	H	α-helix	trans	-61.3	-39.1	175.3	-77.6	175.6	170.4	170.7	0	112.1	M298 G302 E390 G397 M398	M298-K394 HydrophobicContact CE-CG 3.8Å; G302-K394 WeakPolarHBondContact O-CA 3.3Å; E390-K394 HydrophobicContact CG-CD 4.02Å; E390-K394 HydrophobicContact CG-CG 4.4Å; E390-K394 VanDerWaalsContact O-CB 3.26Å; E390-K394 WeakPolarHBondContact O-CB 3.46Å; E390-K394 WeakPolarHBondContact O-CG 3.5Å; E390-K394 PolarHBondContact O-N 3.02Å; E390-K394 WeakPolarHBondContact OE1-CE 3.19Å; E390-K394 IonicContact OE1-NZ 2.95Å; E390-K394 PolarHBondContact OE1-NZ 3.28Å; K394-G397 PolarHBondContact O-N 3.46Å; K394-M398 PolarHBondContact O-N 3.31Å
395	A	98.3	Very high	97.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-44.3	176.5	0	0	0	0	0	112.6	V347 T351 Q353 I385 I391 E392 L393 G397 M398 A399	V347-A395 HydrophobicContact CG1-CB 4.15Å; T351-A395 HydrophobicContact CG2-CB 4.13Å; Q353-A395 HydrophobicContact CB-CB 3.52Å; Q353-A395 HydrophobicContact CG-CB 3.69Å; I385-A395 HydrophobicContact CD1-CB 4.11Å; I391-A395 PolarHBondContact O-N 3.14Å; I391-A395 VanDerWaalsContact O-N 3.16Å; E392-A395 PolarHBondContact O-N 3.36Å; L393-A395 VanDerWaalsContact C-N 3.31Å; L393-A395 PolarHBondContact O-N 2.93Å; A395-G397 VanDerWaalsContact C-N 3.3Å; A395-G397 PolarHBondContact O-N 3.17Å; A395-M398 WeakPolarHBondContact O-CB 3.38Å; A395-M398 PolarHBondContact O-N 3.17Å; A395-A399 PolarHBondContact O-N 2.51Å
396	L	98.6	Very high	97.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66	-35	175	-167.3	67.4	0	0	0	111.5	F314 T323 F325 I355 V383 I385 E392 L393 A399 R400	F314-L396 HydrophobicContact CD1-CD2 3.97Å; F314-L396 HydrophobicContact CD1-CG 4.39Å; F314-L396 HydrophobicContact CD2-CD2 3.75Å; F314-L396 HydrophobicContact CD2-CG 4.42Å; F314-L396 HydrophobicContact CE1-CD2 3.9Å; F314-L396 HydrophobicContact CE1-CG 3.83Å; F314-L396 HydrophobicContact CE2-CB 3.85Å; F314-L396 HydrophobicContact CE2-CD2 3.66Å; F314-L396 HydrophobicContact CE2-CG 3.84Å; F314-L396 HydrophobicContact CG-CD2 3.9Å; F314-L396 VanDerWaalsContact CZ-C 3.46Å; F314-L396 HydrophobicContact CZ-CB 3.78Å; F314-L396 HydrophobicContact CZ-CD2 3.75Å; F314-L396 HydrophobicContact CZ-CG 3.52Å; T323-L396 HydrophobicContact CG2-CD2 3.74Å; F325-L396 HydrophobicContact CD1-CD1 3.8Å; F325-L396 HydrophobicContact CD1-CD2 4.24Å; F325-L396 HydrophobicContact CD1-CG 3.84Å; F325-L396 HydrophobicContact CE1-CD1 3.61Å; F325-L396 HydrophobicContact CE1-CG 3.89Å; I355-L396 HydrophobicContact CG2-CD1 4.33Å; V383-L396 HydrophobicContact CG1-CD1 4.01Å; I385-L396 HydrophobicContact CG2-CB 4.08Å; I385-L396 HydrophobicContact CG2-CD1 4.39Å; I385-L396 HydrophobicContact CG2-CD2 4.13Å; I385-L396 HydrophobicContact CG2-CG 4.44Å; E392-L396 PolarHBondContact O-N 2.9Å; L393-L396 PolarHBondContact O-N 3.13Å; L396-A399 WeakPolarHBondContact O-CB 3.33Å; L396-A399 PolarHBondContact O-N 2.96Å; L396-R400 WeakPolarHBondContact O-CB 3.26Å; L396-R400 PolarHBondContact O-N 3.35Å
397	G	98.4	Very high	97.3	Very high	4 Å²	4	36.8 Å²	36.8	4%	0.041	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-41.3	174.6	0	0	0	0	0	112.7	Y301 L393 K394 A395 R400 V401	Y301-G397 VanDerWaalsContact O-CA 3.27Å; Y301-G397 WeakPolarHBondContact O-CA 3.35Å; L393-G397 PolarHBondContact O-N 3.01Å; K394-G397 PolarHBondContact O-N 3.46Å; A395-G397 VanDerWaalsContact C-N 3.3Å; A395-G397 PolarHBondContact O-N 3.17Å; G397-R400 WeakPolarHBondContact O-CB 3.32Å; G397-R400 PolarHBondContact O-N 3.18Å; G397-V401 WeakPolarHBondContact O-CG2 3.34Å; G397-V401 PolarHBondContact O-N 2.99Å; G397-V401 VanDerWaalsContact O-N 3.12Å
398	M	98	Very high	97.4	Very high	56 Å²	56	39.8 Å²	39.8	28%	0.276	20%	0.201	S	C	.	.	H	α-helix	trans	-60.5	-49.5	170.5	-178.4	-177.3	-67.1	0	0	110.9	L350 T351 K394 A395 R400 V401 E402	L350-M398 HydrophobicContact CB-CE 3.91Å; L350-M398 HydrophobicContact CB-SD 3.76Å; L350-M398 HydrophobicContact CD1-CE 4.18Å; L350-M398 HydrophobicContact CD1-SD 3.72Å; L350-M398 HydrophobicContact CG-SD 4.38Å; T351-M398 HydrophobicContact CG2-CE 3.55Å; T351-M398 HydrophobicContact CG2-SD 3.72Å; K394-M398 PolarHBondContact O-N 3.31Å; A395-M398 WeakPolarHBondContact O-CB 3.38Å; A395-M398 PolarHBondContact O-N 3.17Å; M398-R400 VanDerWaalsContact C-N 3.27Å; M398-R400 PolarHBondContact O-N 2.85Å; M398-V401 PolarHBondContact O-N 3.1Å; M398-V401 VanDerWaalsContact O-N 3.13Å; M398-E402 HydrophobicContact CG-CG 4.18Å; M398-E402 WeakPolarHBondContact O-CG 3.24Å; M398-E402 PolarHBondContact O-N 2.86Å
399	A	98.4	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-55.7	-43.5	178.1	0	0	0	0	0	112	F325 V347 I355 V383 A395 L396 V401 E402 V403	F325-A399 HydrophobicContact CE1-CB 4.4Å; F325-A399 HydrophobicContact CZ-CB 4.46Å; V347-A399 HydrophobicContact CG2-CB 3.83Å; I355-A399 HydrophobicContact CD1-CB 3.83Å; V383-A399 HydrophobicContact CG1-CB 4.37Å; A395-A399 PolarHBondContact O-N 2.51Å; L396-A399 WeakPolarHBondContact O-CB 3.33Å; L396-A399 PolarHBondContact O-N 2.96Å; A399-V401 PolarHBondContact O-N 3.27Å; A399-E402 PolarHBondContact O-N 3.49Å; A399-V403 WeakPolarHBondContact O-CB 3.49Å; A399-V403 WeakPolarHBondContact O-CG1 3.36Å; A399-V403 PolarHBondContact O-N 2.9Å
400	R	98.4	Very high	97.4	Very high	2 Å²	2	41 Å²	41	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-57.7	-45.5	176.4	175	-178	173.8	-82.4	-3.2	112.5	D307 F310 G311 F312 F314 F325 L396 G397 M398 V403 A404	D307-R400 PolarHBondContact O-NH1 3.27Å; D307-R400 PolarHBondContact O-NH2 3.23Å; F310-R400 HydrophobicContact CE2-CG 3.69Å; F310-R400 HydrophobicContact CZ-CG 4.1Å; F310-R400 PolarHBondContact O-NH2 3.03Å; G311-R400 VanDerWaalsContact O-CZ 3.26Å; G311-R400 PolarHBondContact O-NE 2.77Å; G311-R400 PolarHBondContact O-NH2 2.86Å; F312-R400 HydrophobicContact CB-CG 3.99Å; F312-R400 HydrophobicContact CD2-CG 4.47Å; F312-R400 VanDerWaalsContact O-CD 3.31Å; F312-R400 WeakPolarHBondContact O-CD 3.27Å; F312-R400 PolarHBondContact O-NE 2.85Å; F314-R400 HydrophobicContact CE1-CB 4.1Å; F314-R400 HydrophobicContact CE1-CG 4.48Å; F314-R400 HydrophobicContact CZ-CB 4.41Å; F325-R400 HydrophobicContact CD1-CB 4.44Å; F325-R400 HydrophobicContact CE1-CB 3.91Å; F325-R400 HydrophobicContact CZ-CB 4.05Å; L396-R400 WeakPolarHBondContact O-CB 3.26Å; L396-R400 PolarHBondContact O-N 3.35Å; G397-R400 WeakPolarHBondContact O-CB 3.32Å; G397-R400 PolarHBondContact O-N 3.18Å; M398-R400 VanDerWaalsContact C-N 3.27Å; M398-R400 PolarHBondContact O-N 2.85Å; R400-V403 WeakPolarHBondContact O-CG1 3.45Å; R400-A404 PolarHBondContact O-N 2.96Å
401	V	97.9	Very high	97.5	Very high	39 Å²	39	41 Å²	41	24%	0.236	23%	0.226	C	C	.	.	H	α-helix	trans	-72.8	-42.5	-178.9	171.6	0	0	0	0	111.4	F310 G397 M398 A399 A404 K405	F310-V401 HydrophobicContact CZ-CG2 4.46Å; G397-V401 WeakPolarHBondContact O-CG2 3.34Å; G397-V401 PolarHBondContact O-N 2.99Å; G397-V401 VanDerWaalsContact O-N 3.12Å; M398-V401 PolarHBondContact O-N 3.1Å; M398-V401 VanDerWaalsContact O-N 3.13Å; A399-V401 PolarHBondContact O-N 3.27Å; V401-A404 PolarHBondContact O-N 3.29Å; V401-K405 HydrophobicContact CG1-CD 4.39Å; V401-K405 WeakPolarHBondContact O-CG 3.17Å; V401-K405 PolarHBondContact O-N 3.45Å
402	E	97.8	Very high	97.5	Very high	55 Å²	55	38.1 Å²	38.1	26%	0.257	21%	0.212	S	C	.	.	H	α-helix	trans	-67.5	-39.5	-179.1	-66.3	-51.8	131.8	0	0	112.2	L343 L346 M398 A399 A404 K405 L406	L343-E402 HydrophobicContact CD1-CB 3.7Å; L346-E402 HydrophobicContact CD2-CB 4.3Å; L346-E402 HydrophobicContact CD2-CG 3.88Å; M398-E402 HydrophobicContact CG-CG 4.18Å; M398-E402 WeakPolarHBondContact O-CG 3.24Å; M398-E402 PolarHBondContact O-N 2.86Å; A399-E402 PolarHBondContact O-N 3.49Å; E402-A404 VanDerWaalsContact C-N 3.3Å; E402-A404 PolarHBondContact O-N 3.25Å; E402-K405 PolarHBondContact O-N 3.21Å; E402-K405 IonicContact OE1-NZ 3.38Å; E402-K405 PolarHBondContact OE1-NZ 3.09Å; E402-K405 IonicContact OE2-NZ 2.95Å; E402-L406 WeakPolarHBondContact O-CB 3.38Å; E402-L406 PolarHBondContact O-N 3.27Å
403	V	97.9	Very high	97.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.1	-33.4	175.2	76.5	0	0	0	0	112.1	F312 F325 I327 L335 L343 A399 R400 L406 I407	F312-V403 HydrophobicContact CD2-CG1 4.17Å; F312-V403 HydrophobicContact CE2-CG1 4.09Å; F325-V403 HydrophobicContact CE2-CG1 4.1Å; F325-V403 HydrophobicContact CZ-CG1 4.22Å; I327-V403 HydrophobicContact CD1-CB 4.43Å; I327-V403 HydrophobicContact CD1-CG1 4.06Å; I327-V403 HydrophobicContact CD1-CG2 3.66Å; L335-V403 HydrophobicContact CD1-CG2 3.88Å; L343-V403 HydrophobicContact CD2-CB 3.86Å; L343-V403 HydrophobicContact CD2-CG2 4.09Å; A399-V403 WeakPolarHBondContact O-CB 3.49Å; A399-V403 WeakPolarHBondContact O-CG1 3.36Å; A399-V403 PolarHBondContact O-N 2.9Å; R400-V403 WeakPolarHBondContact O-CG1 3.45Å; V403-L406 PolarHBondContact O-N 2.81Å; V403-I407 HydrophobicContact CG2-CD1 4.24Å; V403-I407 WeakPolarHBondContact O-CD1 3.35Å; V403-I407 VanDerWaalsContact O-CG1 3.24Å; V403-I407 WeakPolarHBondContact O-CG1 3.22Å; V403-I407 PolarHBondContact O-N 3.34Å
404	A	98.1	Very high	97.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-43.9	175	0	0	0	0	0	112.1	F310 R400 V401 E402 L406 I407 D408 I414 Y415	F310-A404 HydrophobicContact CD1-CB 4.33Å; F310-A404 HydrophobicContact CD2-CB 3.9Å; F310-A404 HydrophobicContact CE1-CB 3.95Å; F310-A404 HydrophobicContact CE2-CB 3.47Å; F310-A404 VanDerWaalsContact CE2-CB 3.47Å; F310-A404 HydrophobicContact CG-CB 4.3Å; F310-A404 HydrophobicContact CZ-CB 3.5Å; F310-A404 VanDerWaalsContact CZ-CB 3.5Å; R400-A404 PolarHBondContact O-N 2.96Å; V401-A404 PolarHBondContact O-N 3.29Å; E402-A404 VanDerWaalsContact C-N 3.3Å; E402-A404 PolarHBondContact O-N 3.25Å; A404-L406 VanDerWaalsContact C-N 3.26Å; A404-L406 PolarHBondContact O-N 3.27Å; A404-I407 PolarHBondContact O-N 2.77Å; A404-D408 WeakPolarHBondContact O-CB 3.48Å; A404-D408 PolarHBondContact O-N 3.23Å; A404-I414 HydrophobicContact CB-CD1 3.82Å; A404-Y415 HydrophobicContact CB-CE1 4.38Å
405	K	96.7	Very high	97.2	Very high	98 Å²	98	38.4 Å²	38.4	43%	0.426	22%	0.224	S	C	.	.	H	α-helix	trans	-59.1	-39.9	173	-69.7	171.5	-176.4	167.7	0	111.6	V401 E402 D408 S409 Y415	V401-K405 HydrophobicContact CG1-CD 4.39Å; V401-K405 WeakPolarHBondContact O-CG 3.17Å; V401-K405 PolarHBondContact O-N 3.45Å; E402-K405 PolarHBondContact O-N 3.21Å; E402-K405 IonicContact OE1-NZ 3.38Å; E402-K405 PolarHBondContact OE1-NZ 3.09Å; E402-K405 IonicContact OE2-NZ 2.95Å; K405-D408 PolarHBondContact O-N 2.9Å; K405-S409 WeakPolarHBondContact O-CB 3.29Å; K405-S409 PolarHBondContact O-N 2.85Å; K405-Y415 PolarHBondContact N-OH 2.88Å
406	L	97.4	Very high	97	Very high	42 Å²	42	43.7 Å²	43.7	22%	0.22	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-45.4	177.9	-176.7	57.1	0	0	0	111.6	L335 D339 E402 V403 A404 D408 S409 K410	L335-L406 HydrophobicContact CD2-CD2 3.98Å; L335-L406 HydrophobicContact CD2-CG 4.03Å; D339-L406 HydrophobicContact CB-CD2 3.73Å; E402-L406 WeakPolarHBondContact O-CB 3.38Å; E402-L406 PolarHBondContact O-N 3.27Å; V403-L406 PolarHBondContact O-N 2.81Å; A404-L406 VanDerWaalsContact C-N 3.26Å; A404-L406 PolarHBondContact O-N 3.27Å; L406-D408 VanDerWaalsContact C-N 3.35Å; L406-D408 PolarHBondContact O-N 2.81Å; L406-S409 PolarHBondContact O-N 2.99Å; L406-S409 PolarHBondContact O-OG 3.37Å; L406-K410 WeakPolarHBondContact O-CG 3.27Å; L406-K410 PolarHBondContact O-N 2.93Å
407	I	98	Very high	96.6	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-46.7	175.2	-70.4	161.5	0	0	0	110.8	F312 I327 Y331 L335 V403 A404 S409 K410 L412 I414	F312-I407 HydrophobicContact CE2-CD1 3.95Å; F312-I407 HydrophobicContact CZ-CD1 3.87Å; I327-I407 HydrophobicContact CG2-CD1 4.21Å; Y331-I407 HydrophobicContact CD1-CG2 3.65Å; Y331-I407 HydrophobicContact CD2-CD1 4.45Å; Y331-I407 HydrophobicContact CE1-CG2 4.27Å; Y331-I407 HydrophobicContact CG-CD1 4.11Å; Y331-I407 HydrophobicContact CG-CG2 4.04Å; L335-I407 HydrophobicContact CD1-CG1 4.43Å; L335-I407 HydrophobicContact CD2-CG1 4.23Å; V403-I407 HydrophobicContact CG2-CD1 4.24Å; V403-I407 WeakPolarHBondContact O-CD1 3.35Å; V403-I407 VanDerWaalsContact O-CG1 3.24Å; V403-I407 WeakPolarHBondContact O-CG1 3.22Å; V403-I407 PolarHBondContact O-N 3.34Å; A404-I407 PolarHBondContact O-N 2.77Å; I407-S409 VanDerWaalsContact C-N 3.35Å; I407-S409 PolarHBondContact O-N 2.9Å; I407-K410 PolarHBondContact O-N 2.82Å; I407-K410 VanDerWaalsContact O-N 3.15Å; I407-L412 HydrophobicContact CG2-CB 3.73Å; I407-L412 HydrophobicContact CG2-CD1 4.11Å; I407-L412 PolarHBondContact O-N 2.83Å; I407-I414 HydrophobicContact CB-CD1 4.03Å; I407-I414 HydrophobicContact CD1-CD1 3.68Å; I407-I414 HydrophobicContact CG1-CD1 4.47Å; I407-I414 HydrophobicContact CG2-CB 3.94Å; I407-I414 HydrophobicContact CG2-CD1 3.89Å; I407-I414 HydrophobicContact CG2-CG2 4.21Å
408	D	96.7	Very high	96.2	Very high	79 Å²	79	51.3 Å²	51.3	42%	0.422	29%	0.292	S	S	.	.	H	α-helix	trans	-61.3	-41.4	177.3	-171.5	63.8	0	0	0	112.2	A404 K405 L406 K410 G411 I414 Y415	A404-D408 WeakPolarHBondContact O-CB 3.48Å; A404-D408 PolarHBondContact O-N 3.23Å; K405-D408 PolarHBondContact O-N 2.9Å; L406-D408 VanDerWaalsContact C-N 3.35Å; L406-D408 PolarHBondContact O-N 2.81Å; D408-K410 PolarHBondContact O-N 2.79Å; D408-K410 VanDerWaalsContact O-N 3.12Å; D408-G411 WeakPolarHBondContact O-CA 3.46Å; D408-G411 PolarHBondContact O-N 2.72Å; D408-I414 HydrophobicContact CB-CG2 3.88Å; D408-Y415 HydrophobicContact CB-CD2 4.11Å; D408-Y415 HydrophobicContact CB-CE2 3.61Å
409	S	95.9	Very high	96.1	Very high	87 Å²	87	50.2 Å²	50.2	61%	0.608	29%	0.285	S	S	*	.	H	α-helix	trans	-62.5	-20.7	177.2	79	0	0	0	0	113.9	K405 L406 I407 G411	K405-S409 WeakPolarHBondContact O-CB 3.29Å; K405-S409 PolarHBondContact O-N 2.85Å; L406-S409 PolarHBondContact O-N 2.99Å; L406-S409 PolarHBondContact O-OG 3.37Å; I407-S409 VanDerWaalsContact C-N 3.35Å; I407-S409 PolarHBondContact O-N 2.9Å; S409-G411 VanDerWaalsContact C-N 3.27Å
410	K	95.7	Very high	96	Very high	79 Å²	79	52.6 Å²	52.6	34%	0.343	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	6.4	173.6	-62.6	-172	-175.4	-134.6	0	113.2	N334 L335 D339 L406 I407 D408	N334-K410 HydrophobicContact CB-CD 4.22Å; N334-K410 WeakPolarHBondContact O-CD 3.09Å; N334-K410 VanDerWaalsContact O-CE 3.31Å; N334-K410 WeakPolarHBondContact O-CE 3.32Å; N334-K410 PolarHBondContact O-NZ 3.48Å; L335-K410 HydrophobicContact CD2-CD 4.36Å; D339-K410 IonicContact OD1-NZ 3.56Å; D339-K410 IonicContact OD2-NZ 2.67Å; D339-K410 PolarHBondContact OD2-NZ 2.71Å; L406-K410 WeakPolarHBondContact O-CG 3.27Å; L406-K410 PolarHBondContact O-N 2.93Å; I407-K410 PolarHBondContact O-N 2.82Å; I407-K410 VanDerWaalsContact O-N 3.15Å; D408-K410 PolarHBondContact O-N 2.79Å; D408-K410 VanDerWaalsContact O-N 3.12Å
411	G	95.5	Very high	96	Very high	69 Å²	69	53.1 Å²	53.1	71%	0.711	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	14	179	0	0	0	0	0	114.2	D408 S409	D408-G411 WeakPolarHBondContact O-CA 3.46Å; D408-G411 PolarHBondContact O-N 2.72Å; S409-G411 VanDerWaalsContact C-N 3.27Å
412	L	96	Very high	96.1	Very high	45 Å²	45	51.3 Å²	51.3	24%	0.236	29%	0.288	C	S	.	.			trans	-91.2	124	176	-63.1	175.2	0	0	0	110.1	Y331 N334 I407 I414	Y331-L412 HydrophobicContact CD1-CB 4.44Å; Y331-L412 HydrophobicContact CD1-CD1 4.26Å; N334-L412 HydrophobicContact CB-CD1 3.84Å; I407-L412 HydrophobicContact CG2-CB 3.73Å; I407-L412 HydrophobicContact CG2-CD1 4.11Å; I407-L412 PolarHBondContact O-N 2.83Å; L412-I414 PolarHBondContact O-N 3.39Å; L412-I414 VanDerWaalsContact O-N 3.08Å
413	S	94.5	Very high	96.1	Very high	102 Å²	102	48.7 Å²	48.7	71%	0.713	28%	0.275	S	S	*	.			trans	-66.9	109.9	175.1	-172.5	0	0	0	0	110.4
414	I	96.6	Very high	96.1	Very high	11 Å²	11	48.7 Å²	48.7	6%	0.056	28%	0.275	C	S	.	.			trans	-116.5	-31.5	177.5	-177.1	160.5	0	0	0	112.7	F310 F312 Y331 A404 I407 D408 L412	F310-I414 HydrophobicContact CB-CG1 3.86Å; F310-I414 VanDerWaalsContact CB-O 3.3Å; F310-I414 WeakPolarHBondContact CB-O 3.47Å; F310-I414 HydrophobicContact CD2-CD1 4.48Å; F310-I414 HydrophobicContact CG-CG1 4.37Å; F312-I414 HydrophobicContact CE2-CD1 3.5Å; F312-I414 HydrophobicContact CZ-CD1 3.51Å; Y331-I414 HydrophobicContact CE2-CD1 4.47Å; A404-I414 HydrophobicContact CB-CD1 3.82Å; I407-I414 HydrophobicContact CB-CD1 4.03Å; I407-I414 HydrophobicContact CD1-CD1 3.68Å; I407-I414 HydrophobicContact CG1-CD1 4.47Å; I407-I414 HydrophobicContact CG2-CB 3.94Å; I407-I414 HydrophobicContact CG2-CD1 3.89Å; I407-I414 HydrophobicContact CG2-CG2 4.21Å; D408-I414 HydrophobicContact CB-CG2 3.88Å; L412-I414 PolarHBondContact O-N 3.39Å; L412-I414 VanDerWaalsContact O-N 3.08Å
415	Y	96.5	Very high	96.1	Very high	37 Å²	37	49.8 Å²	49.8	15%	0.145	28%	0.281	C	S	.	.	S	Bend	trans	-86.8	126.2	178.7	-59.7	-71.8	0	0	0	110.2	R309 F310 A404 K405 D408	R309-Y415 HydrophobicContact CB-CD1 4.15Å; F310-Y415 AromaticContact CD1-CD1 3.71Å; F310-Y415 HydrophobicContact CD1-CD1 3.71Å; F310-Y415 AromaticContact CD1-CE1 3.51Å; F310-Y415 HydrophobicContact CD1-CE1 3.51Å; F310-Y415 HydrophobicContact CE1-CD1 4.31Å; F310-Y415 AromaticContact CE1-CE1 3.67Å; F310-Y415 HydrophobicContact CE1-CE1 3.67Å; F310-Y415 HydrophobicContact CG-CE1 4.45Å; A404-Y415 HydrophobicContact CB-CE1 4.38Å; K405-Y415 PolarHBondContact N-OH 2.88Å; D408-Y415 HydrophobicContact CB-CD2 4.11Å; D408-Y415 HydrophobicContact CB-CE2 3.61Å
416	E	94.5	Very high	96.1	Very high	111 Å²	111	49.3 Å²	49.3	52%	0.519	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-55.6	130.6	160.3	-70.5	177.7	-166.3	0	0	108.5	R309 H420	R309-E416 HydrophobicContact CB-CB 4.32Å; R309-E416 WeakPolarHBondContact CD-O 3.44Å; R309-E416 WeakPolarHBondContact O-CB 3.3Å; R309-E416 WeakPolarHBondContact O-CG 3.39Å; R309-E416 PolarHBondContact O-N 2.95Å; E416-H420 IonicContact OE2-NE2 3.42Å; E416-H420 PolarHBondContact OE2-NE2 2.55Å
417	P	90.4	Very high	96.2	Very high	96 Å²	96	47.4 Å²	47.4	62%	0.623	27%	0.271	S	S	*	.	S	Bend	trans	-65.8	168.6	-176.2	30.1	-36.2	0	0	0	110.5	H420	P417-H420 PolarHBondContact O-CE1 3.46Å
418	E	90.2	Very high	96.1	Very high	69 Å²	69	49 Å²	49	32%	0.322	28%	0.281	S	S	.	.	S	Bend	trans	75.7	-170.6	172.6	-44.5	-62.9	153.9	0	0	115.7	C282 Q283 N473	C282-E418 VanDerWaalsContact CA-OE2 3.32Å; C282-E418 WeakPolarHBondContact CA-OE2 3.24Å; C282-E418 WeakPolarHBondContact CB-OE2 3.13Å; Q283-E418 HydrophobicContact CB-CB 4.49Å; Q283-E418 HydrophobicContact CB-CG 3.72Å; Q283-E418 HydrophobicContact CG-CG 3.62Å; Q283-E418 PolarHBondContact N-OE2 3.28Å; E418-N473 PolarHBondContact O-ND2 2.79Å
419	F	95.7	Very high	96.2	Very high	32 Å²	32	45.3 Å²	45.3	14%	0.14	26%	0.261	C	S	.	.			trans	-99.8	117.8	-172.6	-61	-84.4	0	0	0	111.5	W273 C282 I285 F421 I532 F533	W273-F419 HydrophobicContact CH2-CB 3.83Å; W273-F419 AromaticContact CH2-CD2 3.47Å; W273-F419 HydrophobicContact CH2-CD2 3.47Å; W273-F419 VanDerWaalsContact CH2-CD2 3.47Å; W273-F419 HydrophobicContact CH2-CE2 4.17Å; W273-F419 AromaticContact CH2-CG 3.72Å; W273-F419 HydrophobicContact CH2-CG 3.72Å; W273-F419 HydrophobicContact CZ2-CB 4.33Å; W273-F419 AromaticContact CZ2-CD2 3.63Å; W273-F419 HydrophobicContact CZ2-CD2 3.63Å; W273-F419 HydrophobicContact CZ2-CE2 4.32Å; W273-F419 HydrophobicContact CZ2-CG 4.27Å; C282-F419 HydrophobicContact CB-CD2 4.46Å; C282-F419 HydrophobicContact CB-CE2 3.99Å; I285-F419 HydrophobicContact CG2-CB 4.39Å; F419-F421 HydrophobicContact CB-CD2 4.43Å; F419-F421 HydrophobicContact CB-CE2 4.05Å; F419-I532 HydrophobicContact CD1-CG2 4.03Å; F419-I532 HydrophobicContact CE1-CG2 3.77Å; F419-F533 HydrophobicContact CD1-CD1 4.23Å; F419-F533 AromaticContact CE1-CD1 3.86Å; F419-F533 HydrophobicContact CE1-CD1 3.86Å; F419-F533 HydrophobicContact CZ-CD1 4.18Å
420	H	96.6	Very high	96.2	Very high	51 Å²	51	41.5 Å²	41.5	24%	0.236	23%	0.234	C	C	.	.			trans	-107.6	99.7	178.2	-68.5	73.4	0	0	0	109.4	V308 R309 E416 P417 C472 N473	V308-H420 HydrophobicContact CG2-CB 3.79Å; R309-H420 HydrophobicContact CG-CB 4.21Å; E416-H420 IonicContact OE2-NE2 3.42Å; E416-H420 PolarHBondContact OE2-NE2 2.55Å; P417-H420 PolarHBondContact O-CE1 3.46Å; H420-C472 WeakPolarHBondContact O-CA 3.43Å; H420-N473 PolarHBondContact N-OD1 2.91Å; H420-N473 PolarHBondContact O-N 3.45Å; H420-N473 VanDerWaalsContact O-N 3.16Å
421	F	98.2	Very high	96.1	Very high	13 Å²	13	40.4 Å²	40.4	6%	0.057	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	140.7	173	-70.3	-84.8	0	0	0	111.2	L269 W273 I285 F289 F419 L470 V471 C472 V477 L529 F533	L269-F421 HydrophobicContact CD1-CD1 4.25Å; L269-F421 HydrophobicContact CD1-CE1 3.96Å; L269-F421 HydrophobicContact CD1-CZ 4.18Å; L269-F421 HydrophobicContact CD2-CZ 4.37Å; W273-F421 HydrophobicContact CH2-CE2 4.05Å; W273-F421 AromaticContact CZ3-CE2 3.87Å; W273-F421 HydrophobicContact CZ3-CE2 3.87Å; W273-F421 HydrophobicContact CZ3-CZ 4.32Å; I285-F421 HydrophobicContact CD1-CE2 4.42Å; I285-F421 HydrophobicContact CG2-CD2 4.17Å; I285-F421 HydrophobicContact CG2-CE2 4.15Å; F289-F421 HydrophobicContact CB-CB 4.4Å; F289-F421 HydrophobicContact CD1-CB 3.77Å; F289-F421 HydrophobicContact CD2-CB 3.48Å; F289-F421 VanDerWaalsContact CD2-CB 3.48Å; F289-F421 HydrophobicContact CD2-CG 4.26Å; F289-F421 HydrophobicContact CE1-CB 3.8Å; F289-F421 HydrophobicContact CE1-CD2 4.16Å; F289-F421 HydrophobicContact CE1-CG 4.24Å; F289-F421 HydrophobicContact CE2-CB 3.5Å; F289-F421 HydrophobicContact CE2-CD1 4.21Å; F289-F421 HydrophobicContact CE2-CD2 4.31Å; F289-F421 AromaticContact CE2-CG 3.78Å; F289-F421 HydrophobicContact CE2-CG 3.78Å; F289-F421 HydrophobicContact CG-CB 3.62Å; F289-F421 HydrophobicContact CZ-CB 3.68Å; F289-F421 AromaticContact CZ-CD2 3.83Å; F289-F421 HydrophobicContact CZ-CD2 3.83Å; F289-F421 AromaticContact CZ-CG 3.78Å; F289-F421 HydrophobicContact CZ-CG 3.78Å; F419-F421 HydrophobicContact CB-CD2 4.43Å; F419-F421 HydrophobicContact CB-CE2 4.05Å; F421-L470 HydrophobicContact CB-CD1 4.42Å; F421-L470 HydrophobicContact CD1-CD1 4.03Å; F421-L470 HydrophobicContact CD1-CD2 4.21Å; F421-L470 HydrophobicContact CD1-CG 4.16Å; F421-L470 HydrophobicContact CE1-CD2 4.37Å; F421-V471 CarbonylContact C-O 3.55Å; F421-V471 VanDerWaalsContact CA-O 3.28Å; F421-V471 WeakPolarHBondContact CA-O 3.43Å; F421-C472 HydrophobicContact CD1-CB 3.74Å; F421-C472 HydrophobicContact CE1-CB 3.66Å; F421-C472 HydrophobicContact CG-CB 4.48Å; F421-C472 HydrophobicContact CZ-CB 4.34Å; F421-V477 HydrophobicContact CE1-CG2 4.33Å; F421-L529 HydrophobicContact CE1-CD1 4.31Å; F421-L529 HydrophobicContact CZ-CD1 4.47Å; F421-F533 AromaticContact CZ-CE1 3.89Å; F421-F533 HydrophobicContact CZ-CE1 3.89Å; F421-F533 HydrophobicContact CZ-CZ 4.23Å
422	L	98.4	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	155.3	169.2	72.1	153.6	0	0	0	111.4	L290 M292 P306 V308 I424 V471	L290-L422 HydrophobicContact CB-CB 4.04Å; L290-L422 CarbonylContact O-C 3.3Å; L290-L422 VanDerWaalsContact O-CA 3.24Å; L290-L422 WeakPolarHBondContact O-CA 3.13Å; L290-L422 WeakPolarHBondContact O-CB 3.22Å; M292-L422 HydrophobicContact CE-CD1 3.92Å; P306-L422 HydrophobicContact CG-CD1 3.86Å; V308-L422 HydrophobicContact CG1-CD1 4.01Å; V308-L422 HydrophobicContact CG1-CD2 4.2Å; V308-L422 HydrophobicContact CG2-CD2 4.17Å; L422-I424 HydrophobicContact CD1-CD1 3.51Å; L422-I424 HydrophobicContact CD1-CG1 4.44Å; L422-I424 HydrophobicContact CG-CD1 4.3Å; L422-V471 HydrophobicContact CD2-CB 3.71Å; L422-V471 HydrophobicContact CD2-CG1 3.72Å; L422-V471 HydrophobicContact CG-CB 4.02Å; L422-V471 HydrophobicContact CG-CG1 4.49Å; L422-V471 PolarHBondContact N-O 3.08Å; L422-V471 PolarHBondContact O-N 3.45Å
423	W	98.8	Very high	95.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.6	170.6	-65.7	103.4	0	0	0	110.1	Y262 I265 E266 F289 L290 R291 M292 Y468 D469 L470 I522	Y262-W423 AromaticContact CD1-CD2 3.47Å; Y262-W423 HydrophobicContact CD1-CD2 3.47Å; Y262-W423 VanDerWaalsContact CD1-CD2 3.47Å; Y262-W423 AromaticContact CD1-CE2 3.53Å; Y262-W423 AromaticContact CD1-CE3 3.76Å; Y262-W423 HydrophobicContact CD1-CE3 3.76Å; Y262-W423 AromaticContact CD1-CG 3.9Å; Y262-W423 HydrophobicContact CD1-CG 3.9Å; Y262-W423 HydrophobicContact CD1-CH2 4.13Å; Y262-W423 AromaticContact CD1-CZ2 3.88Å; Y262-W423 HydrophobicContact CD1-CZ2 3.88Å; Y262-W423 HydrophobicContact CD1-CZ3 4.07Å; Y262-W423 AromaticContact CD1-NE1 3.92Å; Y262-W423 HydrophobicContact CE1-CB 4.44Å; Y262-W423 AromaticContact CE1-CD2 3.82Å; Y262-W423 HydrophobicContact CE1-CD2 3.82Å; Y262-W423 AromaticContact CE1-CE3 3.82Å; Y262-W423 HydrophobicContact CE1-CE3 3.82Å; Y262-W423 HydrophobicContact CE1-CG 4.11Å; Y262-W423 HydrophobicContact CE1-CZ3 4.31Å; Y262-W423 HydrophobicContact CG-CD2 4.39Å; I265-W423 HydrophobicContact CB-CH2 4Å; I265-W423 HydrophobicContact CB-CZ2 3.92Å; I265-W423 HydrophobicContact CG1-CH2 4.23Å; I265-W423 HydrophobicContact CG2-CH2 3.88Å; I265-W423 HydrophobicContact CG2-CZ2 3.88Å; E266-W423 PolarHBondContact OE1-NE1 2.92Å; F289-W423 AromaticContact CD2-NE1 3.9Å; L290-W423 PolarHBondContact O-N 2.9Å; R291-W423 WeakPolarHBondContact CA-O 3.42Å; R291-W423 HydrophobicContact CG-CB 4.15Å; M292-W423 PolarHBondContact N-O 3.15Å; W423-Y468 HydrophobicContact CZ3-CD2 4.07Å; W423-D469 CarbonylContact C-O 3.57Å; W423-D469 WeakPolarHBondContact CA-O 3.45Å; W423-L470 HydrophobicContact CD2-CD1 4Å; W423-L470 HydrophobicContact CE3-CB 3.98Å; W423-L470 HydrophobicContact CE3-CD1 4.22Å; W423-L470 HydrophobicContact CH2-CB 3.94Å; W423-L470 HydrophobicContact CH2-CD1 4.16Å; W423-L470 HydrophobicContact CH2-CD2 4.5Å; W423-L470 HydrophobicContact CH2-CG 4.42Å; W423-L470 HydrophobicContact CZ2-CD1 3.91Å; W423-L470 HydrophobicContact CZ3-CB 3.62Å; W423-L470 HydrophobicContact CZ3-CD1 4.31Å; W423-L470 HydrophobicContact CZ3-CG 4.48Å; W423-I522 HydrophobicContact CH2-CD1 3.6Å; W423-I522 HydrophobicContact CZ3-CD1 3.62Å
424	I	98.7	Very high	95.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.2	162.3	-53.8	-52.4	0	0	0	108	M292 A297 D304 P306 L422 F427 Y468 D469 V471	M292-I424 HydrophobicContact CB-CD1 3.72Å; M292-I424 HydrophobicContact CG-CD1 4.1Å; M292-I424 VanDerWaalsContact O-CA 3.28Å; M292-I424 WeakPolarHBondContact O-CA 3.34Å; M292-I424 HydrophobicContact SD-CD1 4.17Å; A297-I424 HydrophobicContact CB-CD1 3.99Å; A297-I424 HydrophobicContact CB-CG2 4.41Å; D304-I424 WeakPolarHBondContact O-CG1 3.16Å; P306-I424 HydrophobicContact CG-CD1 4.17Å; L422-I424 HydrophobicContact CD1-CD1 3.51Å; L422-I424 HydrophobicContact CD1-CG1 4.44Å; L422-I424 HydrophobicContact CG-CD1 4.3Å; I424-F427 HydrophobicContact CB-CE2 4.09Å; I424-F427 HydrophobicContact CB-CZ 3.83Å; I424-F427 HydrophobicContact CG2-CE1 4.05Å; I424-F427 HydrophobicContact CG2-CE2 3.7Å; I424-F427 HydrophobicContact CG2-CZ 3.36Å; I424-F427 WeakPolarHBondContact O-CE2 3.38Å; I424-Y468 CarbonylContact O-C 3.58Å; I424-Y468 WeakPolarHBondContact O-CA 3.28Å; I424-D469 PolarHBondContact N-O 3.35Å; I424-D469 PolarHBondContact O-N 3.07Å; I424-V471 HydrophobicContact CG1-CG2 3.96Å
425	N	98.2	Very high	95	Very high	23 Å²	23	52.6 Å²	52.6	12%	0.123	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	-178.1	179.3	65.5	21.1	0	0	0	111.9	Y262 M292 Q293 Y294 F427 H467	Y262-N425 PolarHBondContact OH-ND2 2.95Å; M292-N425 PolarHBondContact O-N 2.95Å; M292-N425 PolarHBondContact O-OD1 3.05Å; Q293-N425 CarbonylContact C-O 3.53Å; Q293-N425 WeakPolarHBondContact CA-O 3.21Å; Y294-N425 PolarHBondContact N-O 3.27Å; N425-F427 VanDerWaalsContact C-N 3.34Å; N425-F427 PolarHBondContact O-N 2.89Å; N425-H467 WeakPolarHBondContact CA-O 3.5Å
426	Q	96.6	Very high	94.8	Very high	89 Å²	89	52.8 Å²	52.8	42%	0.416	28%	0.278	S	S	.	.			trans	57.1	44.8	-179.6	-58.1	-170.5	22.4	0	0	113.3	Q293 I464	Q293-Q426 HydrophobicContact CG-CG 4.46Å; Q293-Q426 VanDerWaalsContact NE2-NE2 3.18Å; Q426-I464 HydrophobicContact CB-CG2 3.85Å; Q426-I464 HydrophobicContact CG-CG2 4.41Å
427	F	97.8	Very high	94.7	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	28%	0.278	C	S	.	.			trans	-68.3	148.9	171.5	-66.6	-100.1	0	0	0	110.5	Y294 D304 I424 N425 L429 H442 G465 H467 D469	Y294-F427 AromaticContact CD2-CD1 3.29Å; Y294-F427 HydrophobicContact CD2-CD1 3.29Å; Y294-F427 AromaticContact CD2-CE1 3.45Å; Y294-F427 HydrophobicContact CD2-CE1 3.45Å; Y294-F427 VanDerWaalsContact CD2-CE1 3.45Å; Y294-F427 HydrophobicContact CD2-CG 4.23Å; Y294-F427 HydrophobicContact CD2-CZ 4.46Å; Y294-F427 AromaticContact CE2-CD1 3.95Å; Y294-F427 HydrophobicContact CE2-CD1 3.95Å; Y294-F427 HydrophobicContact CE2-CE1 4.16Å; Y294-F427 AromaticContact CG-CD1 3.8Å; Y294-F427 HydrophobicContact CG-CD1 3.8Å; Y294-F427 HydrophobicContact CG-CE1 4.26Å; Y294-F427 HydrophobicContact CG-CG 4.32Å; D304-F427 HydrophobicContact CB-CE1 4.19Å; I424-F427 HydrophobicContact CB-CE2 4.09Å; I424-F427 HydrophobicContact CB-CZ 3.83Å; I424-F427 HydrophobicContact CG2-CE1 4.05Å; I424-F427 HydrophobicContact CG2-CE2 3.7Å; I424-F427 HydrophobicContact CG2-CZ 3.36Å; I424-F427 WeakPolarHBondContact O-CE2 3.38Å; N425-F427 VanDerWaalsContact C-N 3.34Å; N425-F427 PolarHBondContact O-N 2.89Å; F427-L429 PolarHBondContact O-N 3.44Å; F427-H442 AromaticContact CD1-CE1 3.59Å; F427-H442 AromaticContact CD2-CE1 3.87Å; F427-H442 AromaticContact CE1-CE1 3.8Å; F427-H442 AromaticContact CG-CE1 3.6Å; F427-G465 PolarHBondContact O-N 2.91Å; F427-H467 HydrophobicContact CB-CB 4.26Å; F427-H467 HydrophobicContact CD2-CB 3.78Å; F427-H467 HydrophobicContact CG-CB 4.36Å; F427-D469 HydrophobicContact CE2-CB 4.38Å; F427-D469 HydrophobicContact CZ-CB 4.11Å; F427-D469 WeakPolarHBondContact CZ-OD2 3.29Å
428	P	97.2	Very high	94.9	Very high	34 Å²	34	51.1 Å²	51.1	22%	0.221	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-51.2	136.9	159.3	-21.4	32.5	0	0	0	109.6	Y294 V441	Y294-P428 HydrophobicContact CD1-CG 4.26Å; Y294-P428 HydrophobicContact CE1-CG 4.06Å; P428-V441 HydrophobicContact CB-CG2 4.34Å; P428-V441 VanDerWaalsContact O-CB 3.32Å; P428-V441 WeakPolarHBondContact O-CB 3.4Å; P428-V441 WeakPolarHBondContact O-CG2 3.33Å
429	L	97.3	Very high	95	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	26%	0.263	C	S	.	.	S	Bend	trans	-74.7	-33.1	178.1	-177	55.5	0	0	0	111	F427 S440 V441 T446 A448 L456 V463 H467	F427-L429 PolarHBondContact O-N 3.44Å; L429-S440 WeakPolarHBondContact O-CA 3.22Å; L429-V441 PolarHBondContact O-N 3.47Å; L429-V441 VanDerWaalsContact O-N 3.08Å; L429-T446 HydrophobicContact CD1-CG2 3.94Å; L429-A448 HydrophobicContact CD2-CB 4.08Å; L429-L456 HydrophobicContact CD2-CD2 4.31Å; L429-V463 HydrophobicContact CB-CB 4.18Å; L429-V463 HydrophobicContact CB-CG1 3.85Å; L429-V463 HydrophobicContact CD2-CG1 3.63Å; L429-V463 HydrophobicContact CG-CG1 4.37Å; L429-V463 PolarHBondContact N-O 3.12Å; L429-H467 WeakPolarHBondContact CD1-NE2 3.26Å
430	F	96.7	Very high	94.9	Very high	7 Å²	7	51.3 Å²	51.3	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148	-177.9	-50.4	-75	0	0	0	111.9	W438 K439 L456 P460 V463 I493 I497 L498	F430-W438 HydrophobicContact CB-CE3 3.82Å; F430-W438 HydrophobicContact CB-CZ3 4.31Å; F430-K439 VanDerWaalsContact CA-O 3.27Å; F430-K439 WeakPolarHBondContact CA-O 3.4Å; F430-L456 HydrophobicContact CE2-CD2 3.64Å; F430-L456 HydrophobicContact CZ-CD2 3.96Å; F430-P460 HydrophobicContact CD2-CB 3.91Å; F430-P460 HydrophobicContact CG-CB 4.4Å; F430-V463 HydrophobicContact CD2-CB 4.21Å; F430-V463 HydrophobicContact CE2-CB 4.23Å; F430-V463 HydrophobicContact CE2-CG1 4.32Å; F430-V463 HydrophobicContact CE2-CG2 4.41Å; F430-I493 HydrophobicContact CE1-CG2 4.06Å; F430-I493 HydrophobicContact CZ-CG1 4.22Å; F430-I493 HydrophobicContact CZ-CG2 4.17Å; F430-I497 HydrophobicContact CD1-CG2 3.93Å; F430-I497 HydrophobicContact CD2-CG2 4.47Å; F430-I497 HydrophobicContact CE1-CG2 3.86Å; F430-I497 HydrophobicContact CE2-CD1 3.92Å; F430-I497 HydrophobicContact CE2-CG2 4.41Å; F430-I497 HydrophobicContact CG-CG2 4.24Å; F430-I497 HydrophobicContact CZ-CD1 3.78Å; F430-I497 HydrophobicContact CZ-CG2 4.11Å; F430-L498 HydrophobicContact CD1-CD2 4.1Å; F430-L498 HydrophobicContact CE1-CD2 4.2Å
431	E	94	Very high	94.8	Very high	57 Å²	57	51 Å²	51	27%	0.266	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	161.5	169	63.2	173.7	-177.3	0	0	109.8	K439 V441	E431-K439 HydrophobicContact CG-CD 4.32Å; E431-K439 HydrophobicContact CG-CG 3.84Å; E431-K439 PolarHBondContact N-O 3.03Å; E431-K439 WeakPolarHBondContact O-CG 3.28Å; E431-K439 PolarHBondContact O-N 2.87Å; E431-K439 WeakPolarHBondContact OE1-CE 3.43Å; E431-K439 IonicContact OE1-NZ 3.8Å; E431-K439 PolarHBondContact OE1-NZ 2.93Å; E431-V441 HydrophobicContact CB-CG2 4.03Å; E431-V441 HydrophobicContact CG-CG2 3.91Å
432	K	93.1	Very high	94.4	Very high	122 Å²	122	53.2 Å²	53.2	53%	0.53	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	136.4	175.1	-74.2	-176.3	174.4	178.7	0	110.6	G436 Q437 W438	K432-G436 WeakPolarHBondContact CD-O 3.49Å; K432-Q437 CarbonylContact C-O 3.5Å; K432-Q437 VanDerWaalsContact CA-O 3.29Å; K432-Q437 WeakPolarHBondContact CA-O 3.28Å; K432-W438 HydrophobicContact CD-CH2 4.25Å; K432-W438 HydrophobicContact CD-CZ2 4.47Å; K432-W438 HydrophobicContact CD-CZ3 4.42Å; K432-W438 HydrophobicContact CG-CD2 4.11Å; K432-W438 HydrophobicContact CG-CE3 3.72Å; K432-W438 HydrophobicContact CG-CH2 3.98Å; K432-W438 HydrophobicContact CG-CZ2 4.4Å; K432-W438 HydrophobicContact CG-CZ3 3.66Å
433	N	89.7	Confident	94	Very high	47 Å²	47	54.9 Å²	54.9	25%	0.251	28%	0.28	S	S	.	.			trans	-73.6	176.6	166.4	72.1	10.1	0	0	0	111	L435 G436 Q437 K439	N433-L435 PolarHBondContact O-N 2.85Å; N433-L435 WeakPolarHBondContact OD1-CA 3.04Å; N433-L435 WeakPolarHBondContact OD1-CB 3.48Å; N433-L435 PolarHBondContact OD1-N 2.9Å; N433-G436 PolarHBondContact O-N 2.95Å; N433-G436 PolarHBondContact OD1-N 3.49Å; N433-G436 VanDerWaalsContact OD1-N 3.16Å; N433-Q437 PolarHBondContact N-O 2.8Å; N433-Q437 PolarHBondContact ND2-OE1 3.29Å; N433-Q437 WeakPolarHBondContact OD1-CB 3.48Å; N433-Q437 PolarHBondContact OD1-N 2.87Å; N433-Q437 PolarHBondContact OD1-O 3.23Å; N433-K439 HydrophobicContact CB-CD 4.35Å
434	N	86.7	Confident	93.7	Very high	175 Å²	175	55.1 Å²	55.1	94%	0.936	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.1	178.9	-63.4	-12.2	0	0	0	113.9	G436	N434-G436 VanDerWaalsContact C-N 3.33Å
435	L	90	Very high	93.5	Very high	138 Å²	138	55.2 Å²	55.2	72%	0.723	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	3	175.9	-56.1	175.1	0	0	0	112.3	N433 Q437	N433-L435 PolarHBondContact O-N 2.85Å; N433-L435 WeakPolarHBondContact OD1-CA 3.04Å; N433-L435 WeakPolarHBondContact OD1-CB 3.48Å; N433-L435 PolarHBondContact OD1-N 2.9Å; L435-Q437 VanDerWaalsContact C-N 3.25Å; L435-Q437 HydrophobicContact CB-CG 4.23Å; L435-Q437 PolarHBondContact O-N 3.44Å
436	G	91.2	Very high	93.5	Very high	41 Å²	41	54.1 Å²	54.1	42%	0.423	28%	0.276	S	S	.	.	S	Bend	trans	75.4	9.1	-177.9	0	0	0	0	0	114.6	K432 N433 N434	K432-G436 WeakPolarHBondContact CD-O 3.49Å; N433-G436 PolarHBondContact O-N 2.95Å; N433-G436 PolarHBondContact OD1-N 3.49Å; N433-G436 VanDerWaalsContact OD1-N 3.16Å; N434-G436 VanDerWaalsContact C-N 3.33Å
437	Q	93	Very high	93.5	Very high	112 Å²	112	50.6 Å²	50.6	52%	0.523	26%	0.262	S	S	.	.			trans	-86.6	144.3	178.1	-57.1	167.4	-39.1	0	0	110.4	K432 N433 L435	K432-Q437 CarbonylContact C-O 3.5Å; K432-Q437 VanDerWaalsContact CA-O 3.29Å; K432-Q437 WeakPolarHBondContact CA-O 3.28Å; N433-Q437 PolarHBondContact N-O 2.8Å; N433-Q437 PolarHBondContact ND2-OE1 3.29Å; N433-Q437 WeakPolarHBondContact OD1-CB 3.48Å; N433-Q437 PolarHBondContact OD1-N 2.87Å; N433-Q437 PolarHBondContact OD1-O 3.23Å; L435-Q437 VanDerWaalsContact C-N 3.25Å; L435-Q437 HydrophobicContact CB-CG 4.23Å; L435-Q437 PolarHBondContact O-N 3.44Å
438	W	94.7	Very high	93.5	Very high	61 Å²	61	51.3 Å²	51.3	23%	0.231	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	136.9	174.8	-64.7	117.4	0	0	0	111.3	F430 K432 P460 I497	F430-W438 HydrophobicContact CB-CE3 3.82Å; F430-W438 HydrophobicContact CB-CZ3 4.31Å; K432-W438 HydrophobicContact CD-CH2 4.25Å; K432-W438 HydrophobicContact CD-CZ2 4.47Å; K432-W438 HydrophobicContact CD-CZ3 4.42Å; K432-W438 HydrophobicContact CG-CD2 4.11Å; K432-W438 HydrophobicContact CG-CE3 3.72Å; K432-W438 HydrophobicContact CG-CH2 3.98Å; K432-W438 HydrophobicContact CG-CZ2 4.4Å; K432-W438 HydrophobicContact CG-CZ3 3.66Å; W438-P460 HydrophobicContact CD2-CB 4.04Å; W438-P460 HydrophobicContact CE3-CB 4.35Å; W438-P460 HydrophobicContact CH2-CB 4.32Å; W438-P460 HydrophobicContact CZ2-CB 3.96Å; W438-P460 HydrophobicContact CZ2-CG 4.32Å; W438-P460 HydrophobicContact CZ3-CB 4.47Å; W438-I497 HydrophobicContact CB-CG2 3.9Å; W438-I497 HydrophobicContact CG-CG2 4.09Å
439	K	93.5	Very high	93.5	Very high	92 Å²	92	50.1 Å²	50.1	40%	0.4	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156.5	164.1	58.7	170.5	178	140.8	0	109	F430 E431 N433	F430-K439 VanDerWaalsContact CA-O 3.27Å; F430-K439 WeakPolarHBondContact CA-O 3.4Å; E431-K439 HydrophobicContact CG-CD 4.32Å; E431-K439 HydrophobicContact CG-CG 3.84Å; E431-K439 PolarHBondContact N-O 3.03Å; E431-K439 WeakPolarHBondContact O-CG 3.28Å; E431-K439 PolarHBondContact O-N 2.87Å; E431-K439 WeakPolarHBondContact OE1-CE 3.43Å; E431-K439 IonicContact OE1-NZ 3.8Å; E431-K439 PolarHBondContact OE1-NZ 2.93Å; N433-K439 HydrophobicContact CB-CD 4.35Å
440	S	93.5	Very high	93.5	Very high	13 Å²	13	54.9 Å²	54.9	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	146.7	170.3	57.8	0	0	0	0	110.4	L429 H443	L429-S440 WeakPolarHBondContact O-CA 3.22Å; S440-H443 WeakPolarHBondContact OG-CA 3.49Å
441	V	93.2	Very high	93.5	Very high	44 Å²	44	61 Å²	61	27%	0.267	32%	0.321	S	S	.	.	S	Bend	trans	-71.8	-44	177.2	173.4	0	0	0	0	111.1	P428 L429 E431	P428-V441 HydrophobicContact CB-CG2 4.34Å; P428-V441 VanDerWaalsContact O-CB 3.32Å; P428-V441 WeakPolarHBondContact O-CB 3.4Å; P428-V441 WeakPolarHBondContact O-CG2 3.33Å; L429-V441 PolarHBondContact O-N 3.47Å; L429-V441 VanDerWaalsContact O-N 3.08Å; E431-V441 HydrophobicContact CB-CG2 4.03Å; E431-V441 HydrophobicContact CG-CG2 3.91Å
442	H	89.6	Confident	93.7	Very high	60 Å²	60	59.2 Å²	59.2	28%	0.278	31%	0.314	S	S	.	.	S	Bend	trans	-107.8	-62.7	174.3	-64.8	72	0	0	0	112.8	F427 H467 D469	F427-H442 AromaticContact CD1-CE1 3.59Å; F427-H442 AromaticContact CD2-CE1 3.87Å; F427-H442 AromaticContact CE1-CE1 3.8Å; F427-H442 AromaticContact CG-CE1 3.6Å; H442-H467 AromaticContact CG-CE1 3.97Å; H442-H467 AromaticContact CG-ND1 3.52Å; H442-H467 AromaticContact ND1-CE1 3.79Å; H442-H467 AromaticContact ND1-CG 3.7Å; H442-H467 AromaticContact ND1-ND1 3.42Å; H442-H467 PolarHBondContact ND1-ND1 3.42Å; H442-D469 IonicContact CD2-OD1 2.99Å; H442-D469 IonicContact CD2-OD2 3.87Å; H442-D469 IonicContact CE1-OD2 2.84Å; H442-D469 IonicContact NE2-OD1 3.11Å; H442-D469 PolarHBondContact NE2-OD1 2.94Å; H442-D469 IonicContact NE2-OD2 3.85Å; H442-D469 PolarHBondContact NE2-OD2 3.49Å
443	H	90.3	Very high	93.8	Very high	34 Å²	34	55 Å²	55	16%	0.157	30%	0.301	C	S	.	.			trans	-161	159.2	180	64.4	54.7	0	0	0	111.3	S440 F445 T446 S481 R483	S440-H443 WeakPolarHBondContact OG-CA 3.49Å; H443-F445 HydrophobicContact CB-CD2 4.42Å; H443-F445 AromaticContact ND1-CD2 3.98Å; H443-F445 PolarHBondContact ND1-N 2.95Å; H443-F445 PolarHBondContact O-N 3.3Å; H443-F445 VanDerWaalsContact O-N 3.13Å; H443-T446 PolarHBondContact CE1-OG1 3.42Å; H443-T446 PolarHBondContact ND1-N 2.88Å; H443-T446 PolarHBondContact ND1-OG1 2.84Å; H443-T446 VanDerWaalsContact ND1-OG1 3.14Å; H443-S481 PolarHBondContact CE1-OG 2.91Å; H443-S481 VanDerWaalsContact CE1-OG 3.31Å; H443-R483 PolarHBondContact CE1-NH1 2.84Å; H443-R483 PolarHBondContact NE2-NH1 2.94Å
444	P	92.6	Very high	94.2	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.032	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-1.7	-170.1	33.7	-39.9	0	0	0	114.7	Q490 F494 L498	P444-Q490 PolarHBondContact O-NE2 3.08Å; P444-F494 HydrophobicContact CB-CD1 4.19Å; P444-F494 HydrophobicContact CB-CE1 3.65Å; P444-F494 HydrophobicContact CG-CE1 3.8Å; P444-L498 HydrophobicContact CB-CD1 3.41Å; P444-L498 VanDerWaalsContact CB-CD1 3.41Å
445	F	95.2	Very high	94.7	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.013	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	2.7	-178.8	-50.8	-80.4	0	0	0	114.5	Q212 Q213 H443 R483 V484 F494 M505 F508	Q212-F445 HydrophobicContact CG-CD2 3.68Å; Q212-F445 HydrophobicContact CG-CE2 3.99Å; Q212-F445 HydrophobicContact CG-CG 4.44Å; Q213-F445 HydrophobicContact CG-CE1 4.31Å; Q213-F445 HydrophobicContact CG-CE2 4.35Å; Q213-F445 HydrophobicContact CG-CZ 3.77Å; H443-F445 HydrophobicContact CB-CD2 4.42Å; H443-F445 AromaticContact ND1-CD2 3.98Å; H443-F445 PolarHBondContact ND1-N 2.95Å; H443-F445 PolarHBondContact O-N 3.3Å; H443-F445 VanDerWaalsContact O-N 3.13Å; F445-R483 CarbonylContact O-C 3.55Å; F445-R483 VanDerWaalsContact O-CA 3.24Å; F445-R483 WeakPolarHBondContact O-CA 3.37Å; F445-V484 PolarHBondContact O-N 3.29Å; F445-F494 HydrophobicContact CD1-CZ 4.14Å; F445-F494 HydrophobicContact CE1-CE1 4.48Å; F445-F494 AromaticContact CE1-CZ 3.71Å; F445-F494 HydrophobicContact CE1-CZ 3.71Å; F445-F494 HydrophobicContact CZ-CZ 4.33Å; F445-M505 HydrophobicContact CE1-CE 3.68Å; F445-M505 HydrophobicContact CZ-CE 3.84Å; F445-F508 HydrophobicContact CD1-CD1 4.48Å; F445-F508 AromaticContact CD1-CE1 3.69Å; F445-F508 HydrophobicContact CD1-CE1 3.69Å; F445-F508 AromaticContact CD1-CZ 3.86Å; F445-F508 HydrophobicContact CD1-CZ 3.86Å; F445-F508 HydrophobicContact CE1-CD1 4.13Å; F445-F508 AromaticContact CE1-CE1 3.76Å; F445-F508 HydrophobicContact CE1-CE1 3.76Å; F445-F508 HydrophobicContact CE1-CZ 4.02Å
446	T	96.9	Very high	95	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-83.4	133.5	-174.1	-60.3	0	0	0	0	112.5	L429 H443 H467 S481 I482 V484	L429-T446 HydrophobicContact CD1-CG2 3.94Å; H443-T446 PolarHBondContact CE1-OG1 3.42Å; H443-T446 PolarHBondContact ND1-N 2.88Å; H443-T446 PolarHBondContact ND1-OG1 2.84Å; H443-T446 VanDerWaalsContact ND1-OG1 3.14Å; T446-H467 WeakPolarHBondContact CB-CE1 3.39Å; T446-H467 WeakPolarHBondContact CB-NE2 3.47Å; T446-H467 WeakPolarHBondContact CG2-CE1 3.42Å; T446-H467 WeakPolarHBondContact CG2-NE2 3.24Å; T446-H467 PolarHBondContact OG1-CE1 2.85Å; T446-H467 PolarHBondContact OG1-ND1 2.81Å; T446-S481 WeakPolarHBondContact CB-OG 3.3Å; T446-S481 VanDerWaalsContact CG2-CB 3.45Å; T446-S481 WeakPolarHBondContact CG2-OG 3.17Å; T446-S481 VanDerWaalsContact OG1-CB 3.28Å; T446-S481 WeakPolarHBondContact OG1-CB 3.29Å; T446-S481 PolarHBondContact OG1-OG 3.24Å; T446-I482 WeakPolarHBondContact CA-O 3.35Å; T446-V484 VanDerWaalsContact C-CG2 3.48Å; T446-V484 VanDerWaalsContact O-CG2 3.24Å; T446-V484 WeakPolarHBondContact O-CG2 3.4Å
447	A	97.8	Very high	95.3	Very high	15 Å²	15	49.6 Å²	49.6	12%	0.124	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-68.1	138.7	172.6	0	0	0	0	0	112	L466 I482 V484	A447-L466 HydrophobicContact CB-CD1 4.14Å; A447-L466 PolarHBondContact O-N 3.11Å; A447-I482 HydrophobicContact CB-CB 4.45Å; A447-I482 HydrophobicContact CB-CG2 4.15Å; A447-I482 PolarHBondContact N-O 2.95Å; A447-V484 HydrophobicContact CB-CG2 4.5Å
448	A	98	Very high	95.4	Very high	16 Å²	16	49.3 Å²	49.3	13%	0.132	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-66.7	151.5	165.8	0	0	0	0	0	110.9	L429 A453 L456 V463 I464	L429-A448 HydrophobicContact CD2-CB 4.08Å; A448-A453 HydrophobicContact CB-CB 4.08Å; A448-L456 HydrophobicContact CB-CD1 3.96Å; A448-L456 HydrophobicContact CB-CG 4.32Å; A448-V463 HydrophobicContact CB-CG1 3.5Å; A448-I464 CarbonylContact C-O 3.54Å; A448-I464 WeakPolarHBondContact CA-O 3.5Å
449	S	97.2	Very high	95.5	Very high	8 Å²	8	48.5 Å²	48.5	6%	0.056	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-64.7	143.7	170.6	95.9	0	0	0	0	109.6	E451 T452 A453 I464	S449-E451 WeakPolarHBondContact CB-OE2 3.43Å; S449-E451 PolarHBondContact O-N 2.9Å; S449-E451 VanDerWaalsContact O-N 3.15Å; S449-E451 PolarHBondContact OG-OE2 3.38Å; S449-T452 PolarHBondContact O-N 3.13Å; S449-T452 VanDerWaalsContact O-N 3.1Å; S449-T452 PolarHBondContact OG-N 2.86Å; S449-T452 PolarHBondContact OG-OG1 2.81Å; S449-A453 WeakPolarHBondContact O-CB 3.24Å; S449-A453 PolarHBondContact O-N 2.77Å; S449-I464 WeakPolarHBondContact CB-O 2.91Å; S449-I464 PolarHBondContact N-O 3.04Å
450	P	96.4	Very high	95.6	Very high	102 Å²	102	45 Å²	45	66%	0.662	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-34.7	179.7	-26.9	35.7	0	0	0	113.6	T452	P450-T452 VanDerWaalsContact C-N 3.31Å; P450-T452 PolarHBondContact O-N 3.14Å
451	E	97.1	Very high	95.7	Very high	136 Å²	136	47.4 Å²	47.4	64%	0.636	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-28	-177.5	-51.6	77.1	-166.5	0	0	112.5	S449 H454	S449-E451 WeakPolarHBondContact CB-OE2 3.43Å; S449-E451 PolarHBondContact O-N 2.9Å; S449-E451 VanDerWaalsContact O-N 3.15Å; S449-E451 PolarHBondContact OG-OE2 3.38Å; E451-H454 PolarHBondContact O-CE1 3.31Å; E451-H454 PolarHBondContact O-ND1 3.22Å
452	T	97.5	Very high	95.9	Very high	20 Å²	20	50.6 Å²	50.6	12%	0.123	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-3.5	-174.2	64.2	0	0	0	0	113.7	S449 P450 H454 F455 I464	S449-T452 PolarHBondContact O-N 3.13Å; S449-T452 VanDerWaalsContact O-N 3.1Å; S449-T452 PolarHBondContact OG-N 2.86Å; S449-T452 PolarHBondContact OG-OG1 2.81Å; P450-T452 VanDerWaalsContact C-N 3.31Å; P450-T452 PolarHBondContact O-N 3.14Å; T452-H454 PolarHBondContact O-N 3.23Å; T452-H454 VanDerWaalsContact O-N 3.15Å; T452-F455 WeakPolarHBondContact O-CB 3.35Å; T452-F455 PolarHBondContact O-N 3.5Å; T452-I464 HydrophobicContact CG2-CB 4.18Å; T452-I464 HydrophobicContact CG2-CG1 3.97Å; T452-I464 PolarHBondContact OG1-N 3.05Å; T452-I464 PolarHBondContact OG1-O 2.94Å
453	A	96.7	Very high	96.3	Very high	32 Å²	32	47.7 Å²	47.7	26%	0.264	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-55.5	-34.7	-178	0	0	0	0	0	113.6	A448 S449 F455 L456	A448-A453 HydrophobicContact CB-CB 4.08Å; S449-A453 WeakPolarHBondContact O-CB 3.24Å; S449-A453 PolarHBondContact O-N 2.77Å; A453-F455 PolarHBondContact O-N 3.24Å; A453-L456 VanDerWaalsContact O-CB 3.22Å; A453-L456 WeakPolarHBondContact O-CB 3.39Å; A453-L456 WeakPolarHBondContact O-CD1 3.43Å; A453-L456 VanDerWaalsContact O-CG 3.3Å; A453-L456 WeakPolarHBondContact O-CG 3.32Å; A453-L456 PolarHBondContact O-N 2.93Å
454	H	96.5	Very high	96.7	Very high	108 Å²	108	48.3 Å²	48.3	50%	0.5	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-63.2	-23.6	177.3	67.1	-83.1	0	0	0	113.3	E451 T452 L456	E451-H454 PolarHBondContact O-CE1 3.31Å; E451-H454 PolarHBondContact O-ND1 3.22Å; T452-H454 PolarHBondContact O-N 3.23Å; T452-H454 VanDerWaalsContact O-N 3.15Å; H454-L456 PolarHBondContact O-N 3.39Å
455	F	97.8	Very high	96.9	Very high	55 Å²	55	48.2 Å²	48.2	24%	0.241	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-72	-14.7	175	-69.2	-61.3	0	0	0	113.5	T452 A453 Y457 T458 D459 K462 V463	T452-F455 WeakPolarHBondContact O-CB 3.35Å; T452-F455 PolarHBondContact O-N 3.5Å; A453-F455 PolarHBondContact O-N 3.24Å; F455-Y457 PolarHBondContact O-N 2.84Å; F455-Y457 VanDerWaalsContact O-N 3.12Å; F455-T458 WeakPolarHBondContact CA-OG1 3.5Å; F455-T458 PolarHBondContact O-N 3.35Å; F455-T458 VanDerWaalsContact O-N 3.08Å; F455-D459 HydrophobicContact CD1-CB 4.37Å; F455-D459 CarbonylContact O-C 3.23Å; F455-D459 VanDerWaalsContact O-C 3.23Å; F455-D459 PolarHBondContact O-N 3.02Å; F455-K462 HydrophobicContact CB-CB 4.08Å; F455-K462 HydrophobicContact CD1-CB 4.15Å; F455-K462 HydrophobicContact CD1-CD 3.97Å; F455-K462 HydrophobicContact CD2-CB 3.7Å; F455-K462 HydrophobicContact CE1-CD 3.75Å; F455-K462 HydrophobicContact CE2-CB 4.13Å; F455-K462 HydrophobicContact CE2-CD 4.31Å; F455-K462 HydrophobicContact CG-CB 3.72Å; F455-K462 HydrophobicContact CG-CD 4.37Å; F455-K462 HydrophobicContact CZ-CD 3.93Å; F455-V463 HydrophobicContact CB-CG2 3.76Å
456	L	96.9	Very high	97	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-51	-39.2	175.1	-78.3	166.4	0	0	0	112.1	L429 F430 A448 A453 H454 V463 V489 Y492 I493 I497	L429-L456 HydrophobicContact CD2-CD2 4.31Å; F430-L456 HydrophobicContact CE2-CD2 3.64Å; F430-L456 HydrophobicContact CZ-CD2 3.96Å; A448-L456 HydrophobicContact CB-CD1 3.96Å; A448-L456 HydrophobicContact CB-CG 4.32Å; A453-L456 VanDerWaalsContact O-CB 3.22Å; A453-L456 WeakPolarHBondContact O-CB 3.39Å; A453-L456 WeakPolarHBondContact O-CD1 3.43Å; A453-L456 VanDerWaalsContact O-CG 3.3Å; A453-L456 WeakPolarHBondContact O-CG 3.32Å; A453-L456 PolarHBondContact O-N 2.93Å; H454-L456 PolarHBondContact O-N 3.39Å; L456-V463 HydrophobicContact CD2-CG1 4.1Å; L456-V463 HydrophobicContact CD2-CG2 4.21Å; L456-V463 HydrophobicContact CG-CG1 4.23Å; L456-V463 HydrophobicContact CG-CG2 4.18Å; L456-V489 HydrophobicContact CD1-CG1 4.04Å; L456-Y492 WeakPolarHBondContact O-CE1 3.31Å; L456-I493 HydrophobicContact CD2-CD1 4.38Å; L456-I493 HydrophobicContact CD2-CG1 4.2Å; L456-I497 HydrophobicContact CD2-CD1 3.78Å
457	Y	96.4	Very high	96.9	Very high	120 Å²	120	50.2 Å²	50.2	47%	0.471	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-93.1	-1.3	-174	-51.2	-74.6	0	0	0	114.2	F455 Y492	F455-Y457 PolarHBondContact O-N 2.84Å; F455-Y457 VanDerWaalsContact O-N 3.12Å; Y457-Y492 AromaticContact CD1-CD1 3.94Å; Y457-Y492 HydrophobicContact CD1-CD1 3.94Å; Y457-Y492 AromaticContact CD1-CD2 3.99Å; Y457-Y492 HydrophobicContact CD1-CD2 3.99Å; Y457-Y492 AromaticContact CD1-CE1 3.63Å; Y457-Y492 HydrophobicContact CD1-CE1 3.63Å; Y457-Y492 AromaticContact CD1-CE2 3.67Å; Y457-Y492 HydrophobicContact CD1-CE2 3.67Å; Y457-Y492 HydrophobicContact CD1-CG 4.13Å; Y457-Y492 AromaticContact CD1-CZ 3.5Å; Y457-Y492 VanDerWaalsContact CD1-CZ 3.5Å; Y457-Y492 AromaticContact CE1-CD1 3.83Å; Y457-Y492 HydrophobicContact CE1-CD1 3.83Å; Y457-Y492 AromaticContact CE1-CD2 3.89Å; Y457-Y492 HydrophobicContact CE1-CD2 3.89Å; Y457-Y492 HydrophobicContact CE1-CE1 4.02Å; Y457-Y492 HydrophobicContact CE1-CE2 4.07Å; Y457-Y492 AromaticContact CE1-CG 3.77Å; Y457-Y492 HydrophobicContact CE1-CG 3.77Å
458	T	95.7	Very high	97	Very high	106 Å²	106	49.5 Å²	49.5	65%	0.65	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	-50.6	-173	51.8	0	0	0	0	113.1	F455	F455-T458 WeakPolarHBondContact CA-OG1 3.5Å; F455-T458 PolarHBondContact O-N 3.35Å; F455-T458 VanDerWaalsContact O-N 3.08Å
459	D	96.4	Very high	97	Very high	44 Å²	44	49 Å²	49	24%	0.235	26%	0.259	C	S	.	.			trans	-146.3	86	-175.3	-171.9	-4.4	0	0	0	111	F455 S461 K462	F455-D459 HydrophobicContact CD1-CB 4.37Å; F455-D459 CarbonylContact O-C 3.23Å; F455-D459 VanDerWaalsContact O-C 3.23Å; F455-D459 PolarHBondContact O-N 3.02Å; D459-S461 VanDerWaalsContact CG-OG 3.29Å; D459-S461 PolarHBondContact O-N 3.22Å; D459-S461 WeakPolarHBondContact OD1-CB 3.32Å; D459-S461 PolarHBondContact OD1-N 3.05Å; D459-S461 PolarHBondContact OD1-OG 2.83Å; D459-S461 PolarHBondContact OD2-OG 3.19Å; D459-K462 HydrophobicContact CB-CD 4.37Å; D459-K462 PolarHBondContact O-N 3.2Å; D459-K462 WeakPolarHBondContact OD2-CD 3.33Å; D459-K462 WeakPolarHBondContact OD2-CE 3.49Å; D459-K462 IonicContact OD2-NZ 2.74Å; D459-K462 PolarHBondContact OD2-NZ 2.96Å
460	P	96.7	Very high	97.1	Very high	18 Å²	18	48.6 Å²	48.6	12%	0.117	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-55.7	-20.1	-179.2	-27.8	35.7	0	0	0	114.9	F430 W438 K462 V463 I497	F430-P460 HydrophobicContact CD2-CB 3.91Å; F430-P460 HydrophobicContact CG-CB 4.4Å; W438-P460 HydrophobicContact CD2-CB 4.04Å; W438-P460 HydrophobicContact CE3-CB 4.35Å; W438-P460 HydrophobicContact CH2-CB 4.32Å; W438-P460 HydrophobicContact CZ2-CB 3.96Å; W438-P460 HydrophobicContact CZ2-CG 4.32Å; W438-P460 HydrophobicContact CZ3-CB 4.47Å; P460-K462 PolarHBondContact O-N 2.85Å; P460-V463 PolarHBondContact O-N 3.47Å; P460-I497 HydrophobicContact CB-CG2 4.29Å; P460-I497 HydrophobicContact CG-CD1 4.47Å; P460-I497 HydrophobicContact CG-CG1 4.5Å; P460-I497 HydrophobicContact CG-CG2 4.34Å
461	S	95.7	Very high	97.2	Very high	64 Å²	64	43.8 Å²	43.8	45%	0.448	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-65.2	-23.4	177	72.6	0	0	0	0	114	D459	D459-S461 VanDerWaalsContact CG-OG 3.29Å; D459-S461 PolarHBondContact O-N 3.22Å; D459-S461 WeakPolarHBondContact OD1-CB 3.32Å; D459-S461 PolarHBondContact OD1-N 3.05Å; D459-S461 PolarHBondContact OD1-OG 2.83Å; D459-S461 PolarHBondContact OD2-OG 3.19Å
462	K	97	Very high	97.2	Very high	110 Å²	110	37.3 Å²	37.3	48%	0.478	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-96.8	-3	-176.3	-68.4	178.8	-179.8	132.4	0	113.4	F455 D459 P460 I464	F455-K462 HydrophobicContact CB-CB 4.08Å; F455-K462 HydrophobicContact CD1-CB 4.15Å; F455-K462 HydrophobicContact CD1-CD 3.97Å; F455-K462 HydrophobicContact CD2-CB 3.7Å; F455-K462 HydrophobicContact CE1-CD 3.75Å; F455-K462 HydrophobicContact CE2-CB 4.13Å; F455-K462 HydrophobicContact CE2-CD 4.31Å; F455-K462 HydrophobicContact CG-CB 3.72Å; F455-K462 HydrophobicContact CG-CD 4.37Å; F455-K462 HydrophobicContact CZ-CD 3.93Å; D459-K462 HydrophobicContact CB-CD 4.37Å; D459-K462 PolarHBondContact O-N 3.2Å; D459-K462 WeakPolarHBondContact OD2-CD 3.33Å; D459-K462 WeakPolarHBondContact OD2-CE 3.49Å; D459-K462 IonicContact OD2-NZ 2.74Å; D459-K462 PolarHBondContact OD2-NZ 2.96Å; P460-K462 PolarHBondContact O-N 2.85Å; K462-I464 PolarHBondContact O-N 3.4Å
463	V	98	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-78.4	120.6	-178.4	-172.9	0	0	0	0	108.8	L429 F430 A448 F455 L456 P460	L429-V463 HydrophobicContact CB-CB 4.18Å; L429-V463 HydrophobicContact CB-CG1 3.85Å; L429-V463 HydrophobicContact CD2-CG1 3.63Å; L429-V463 HydrophobicContact CG-CG1 4.37Å; L429-V463 PolarHBondContact N-O 3.12Å; F430-V463 HydrophobicContact CD2-CB 4.21Å; F430-V463 HydrophobicContact CE2-CB 4.23Å; F430-V463 HydrophobicContact CE2-CG1 4.32Å; F430-V463 HydrophobicContact CE2-CG2 4.41Å; A448-V463 HydrophobicContact CB-CG1 3.5Å; F455-V463 HydrophobicContact CB-CG2 3.76Å; L456-V463 HydrophobicContact CD2-CG1 4.1Å; L456-V463 HydrophobicContact CD2-CG2 4.21Å; L456-V463 HydrophobicContact CG-CG1 4.23Å; L456-V463 HydrophobicContact CG-CG2 4.18Å; P460-V463 PolarHBondContact O-N 3.47Å
464	I	97.9	Very high	97.1	Very high	47 Å²	47	36.7 Å²	36.7	24%	0.241	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-93.7	129.7	172.1	-61	-59.3	0	0	0	107.5	Q426 A448 S449 T452 K462	Q426-I464 HydrophobicContact CB-CG2 3.85Å; Q426-I464 HydrophobicContact CG-CG2 4.41Å; A448-I464 CarbonylContact C-O 3.54Å; A448-I464 WeakPolarHBondContact CA-O 3.5Å; S449-I464 WeakPolarHBondContact CB-O 2.91Å; S449-I464 PolarHBondContact N-O 3.04Å; T452-I464 HydrophobicContact CG2-CB 4.18Å; T452-I464 HydrophobicContact CG2-CG1 3.97Å; T452-I464 PolarHBondContact OG1-N 3.05Å; T452-I464 PolarHBondContact OG1-O 2.94Å; K462-I464 PolarHBondContact O-N 3.4Å
465	G	97.6	Very high	97.1	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.021	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-90.3	152.2	177.6	0	0	0	0	0	112	F427 H467	F427-G465 PolarHBondContact O-N 2.91Å; G465-H467 VanDerWaalsContact CA-CD2 3.48Å; G465-H467 WeakPolarHBondContact CA-CD2 3.5Å; G465-H467 PolarHBondContact O-N 3.31Å
466	L	97.6	Very high	97.1	Very high	44 Å²	44	36 Å²	36	23%	0.23	19%	0.188	C	C	.	.			trans	-79.4	51.4	171.6	-65.5	176.3	0	0	0	111	A447 S481 I482	A447-L466 HydrophobicContact CB-CD1 4.14Å; A447-L466 PolarHBondContact O-N 3.11Å; L466-S481 CarbonylContact O-C 3.37Å; L466-S481 WeakPolarHBondContact O-CA 3.45Å; L466-S481 VanDerWaalsContact O-CB 3.31Å; L466-S481 WeakPolarHBondContact O-CB 3.45Å; L466-I482 HydrophobicContact CB-CB 3.8Å; L466-I482 HydrophobicContact CB-CG1 4.02Å; L466-I482 HydrophobicContact CD1-CB 3.94Å; L466-I482 HydrophobicContact CD1-CG1 4.2Å; L466-I482 HydrophobicContact CD1-CG2 4.12Å; L466-I482 PolarHBondContact O-N 2.99Å
467	H	95.2	Very high	97.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	155.1	175.9	-58.2	-91.9	0	0	0	111.4	N425 F427 L429 H442 T446 G465 G480	N425-H467 WeakPolarHBondContact CA-O 3.5Å; F427-H467 HydrophobicContact CB-CB 4.26Å; F427-H467 HydrophobicContact CD2-CB 3.78Å; F427-H467 HydrophobicContact CG-CB 4.36Å; L429-H467 WeakPolarHBondContact CD1-NE2 3.26Å; H442-H467 AromaticContact CG-CE1 3.97Å; H442-H467 AromaticContact CG-ND1 3.52Å; H442-H467 AromaticContact ND1-CE1 3.79Å; H442-H467 AromaticContact ND1-CG 3.7Å; H442-H467 AromaticContact ND1-ND1 3.42Å; H442-H467 PolarHBondContact ND1-ND1 3.42Å; T446-H467 WeakPolarHBondContact CB-CE1 3.39Å; T446-H467 WeakPolarHBondContact CB-NE2 3.47Å; T446-H467 WeakPolarHBondContact CG2-CE1 3.42Å; T446-H467 WeakPolarHBondContact CG2-NE2 3.24Å; T446-H467 PolarHBondContact OG1-CE1 2.85Å; T446-H467 PolarHBondContact OG1-ND1 2.81Å; G465-H467 VanDerWaalsContact CA-CD2 3.48Å; G465-H467 WeakPolarHBondContact CA-CD2 3.5Å; G465-H467 PolarHBondContact O-N 3.31Å; H467-G480 WeakPolarHBondContact CA-O 3.44Å
468	Y	98.3	Very high	97.2	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	138.5	169.8	39.3	-97	0	0	0	111.2	P258 I261 Y262 W423 I424 G480 S481 G521 I522	P258-Y468 HydrophobicContact CB-CD1 4.08Å; P258-Y468 HydrophobicContact CB-CE1 4Å; I261-Y468 HydrophobicContact CB-CE2 4.19Å; I261-Y468 WeakPolarHBondContact CG1-OH 3.13Å; I261-Y468 HydrophobicContact CG2-CD2 4.18Å; I261-Y468 HydrophobicContact CG2-CE2 3.42Å; I261-Y468 VanDerWaalsContact CG2-CE2 3.42Å; Y262-Y468 HydrophobicContact CE1-CD1 4.02Å; Y262-Y468 HydrophobicContact CE1-CD2 4.24Å; Y262-Y468 AromaticContact CE1-CG 3.67Å; Y262-Y468 HydrophobicContact CE1-CG 3.67Å; W423-Y468 HydrophobicContact CZ3-CD2 4.07Å; I424-Y468 CarbonylContact O-C 3.58Å; I424-Y468 WeakPolarHBondContact O-CA 3.28Å; Y468-G480 VanDerWaalsContact CE2-C 3.45Å; Y468-G480 PolarHBondContact N-O 3.02Å; Y468-G480 PolarHBondContact O-N 3.37Å; Y468-S481 PolarHBondContact OH-N 3.06Å; Y468-S481 PolarHBondContact OH-O 3.24Å; Y468-G521 PolarHBondContact OH-N 3.39Å; Y468-G521 PolarHBondContact OH-O 3.33Å; Y468-I522 HydrophobicContact CD2-CD1 4.47Å; Y468-I522 HydrophobicContact CE2-CB 4.22Å; Y468-I522 HydrophobicContact CE2-CD1 4.48Å
469	D	98.6	Very high	97.3	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.1	174.7	-69.7	-22.3	0	0	0	109.5	W423 I424 F427 H442 E476 G478 G479	W423-D469 CarbonylContact C-O 3.57Å; W423-D469 WeakPolarHBondContact CA-O 3.45Å; I424-D469 PolarHBondContact N-O 3.35Å; I424-D469 PolarHBondContact O-N 3.07Å; F427-D469 HydrophobicContact CE2-CB 4.38Å; F427-D469 HydrophobicContact CZ-CB 4.11Å; F427-D469 WeakPolarHBondContact CZ-OD2 3.29Å; H442-D469 IonicContact CD2-OD1 2.99Å; H442-D469 IonicContact CD2-OD2 3.87Å; H442-D469 IonicContact CE1-OD2 2.84Å; H442-D469 IonicContact NE2-OD1 3.11Å; H442-D469 PolarHBondContact NE2-OD1 2.94Å; H442-D469 IonicContact NE2-OD2 3.85Å; H442-D469 PolarHBondContact NE2-OD2 3.49Å; D469-E476 HydrophobicContact CB-CG 4.26Å; D469-G478 CarbonylContact C-O 3.58Å; D469-G478 WeakPolarHBondContact CA-O 3.33Å; D469-G479 WeakPolarHBondContact OD1-CA 3.36Å
470	L	98.7	Very high	97.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.4	169.2	-176.4	65.4	0	0	0	108.4	I265 L269 F289 F421 W423 V477 G478 L524	I265-L470 HydrophobicContact CG2-CD2 3.88Å; L269-L470 HydrophobicContact CD1-CD2 3.93Å; F289-L470 HydrophobicContact CD2-CD1 3.94Å; F289-L470 HydrophobicContact CE2-CD1 4.19Å; F421-L470 HydrophobicContact CB-CD1 4.42Å; F421-L470 HydrophobicContact CD1-CD1 4.03Å; F421-L470 HydrophobicContact CD1-CD2 4.21Å; F421-L470 HydrophobicContact CD1-CG 4.16Å; F421-L470 HydrophobicContact CE1-CD2 4.37Å; W423-L470 HydrophobicContact CD2-CD1 4Å; W423-L470 HydrophobicContact CE3-CB 3.98Å; W423-L470 HydrophobicContact CE3-CD1 4.22Å; W423-L470 HydrophobicContact CH2-CB 3.94Å; W423-L470 HydrophobicContact CH2-CD1 4.16Å; W423-L470 HydrophobicContact CH2-CD2 4.5Å; W423-L470 HydrophobicContact CH2-CG 4.42Å; W423-L470 HydrophobicContact CZ2-CD1 3.91Å; W423-L470 HydrophobicContact CZ3-CB 3.62Å; W423-L470 HydrophobicContact CZ3-CD1 4.31Å; W423-L470 HydrophobicContact CZ3-CG 4.48Å; L470-V477 HydrophobicContact CB-CG2 4.12Å; L470-V477 HydrophobicContact CD2-CG2 3.79Å; L470-V477 HydrophobicContact CG-CG2 3.68Å; L470-V477 VanDerWaalsContact O-CG2 3.27Å; L470-V477 WeakPolarHBondContact O-CG2 3.36Å; L470-V477 PolarHBondContact O-N 3.4Å; L470-G478 PolarHBondContact N-O 3.46Å; L470-G478 PolarHBondContact O-N 3.23Å; L470-L524 HydrophobicContact CD2-CD2 4.13Å
471	V	98.5	Very high	97.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.9	179.1	179	0	0	0	0	108.8	K305 F421 L422 I424 Q475	K305-V471 HydrophobicContact CB-CG1 3.95Å; K305-V471 HydrophobicContact CB-CG2 3.84Å; F421-V471 CarbonylContact C-O 3.55Å; F421-V471 VanDerWaalsContact CA-O 3.28Å; F421-V471 WeakPolarHBondContact CA-O 3.43Å; L422-V471 HydrophobicContact CD2-CB 3.71Å; L422-V471 HydrophobicContact CD2-CG1 3.72Å; L422-V471 HydrophobicContact CG-CB 4.02Å; L422-V471 HydrophobicContact CG-CG1 4.49Å; L422-V471 PolarHBondContact N-O 3.08Å; L422-V471 PolarHBondContact O-N 3.45Å; I424-V471 HydrophobicContact CG1-CG2 3.96Å; V471-Q475 CarbonylContact C-O 3.53Å; V471-Q475 WeakPolarHBondContact CA-O 3.36Å
472	C	97.9	Very high	97.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.5	172.1	-172.3	0	0	0	0	108.8	H420 F421 G474 Q475 V477	H420-C472 WeakPolarHBondContact O-CA 3.43Å; F421-C472 HydrophobicContact CD1-CB 3.74Å; F421-C472 HydrophobicContact CE1-CB 3.66Å; F421-C472 HydrophobicContact CG-CB 4.48Å; F421-C472 HydrophobicContact CZ-CB 4.34Å; C472-G474 VanDerWaalsContact C-N 3.28Å; C472-G474 PolarHBondContact O-N 3.49Å; C472-Q475 PolarHBondContact N-O 3.1Å; C472-Q475 PolarHBondContact O-N 3.23Å; C472-V477 HydrophobicContact CB-CG1 3.83Å; C472-V477 HydrophobicContact CB-CG2 4.06Å
473	N	96.1	Very high	97.6	Very high	21 Å²	21	15.9 Å²	15.9	11%	0.112	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	45.4	175.5	-67.8	-1.3	0	0	0	113.5	R309 E418 H420 Q475	R309-N473 WeakPolarHBondContact CD-OD1 3.43Å; E418-N473 PolarHBondContact O-ND2 2.79Å; H420-N473 PolarHBondContact N-OD1 2.91Å; H420-N473 PolarHBondContact O-N 3.45Å; H420-N473 VanDerWaalsContact O-N 3.16Å; N473-Q475 VanDerWaalsContact C-N 3.32Å; N473-Q475 PolarHBondContact O-N 3.26Å
474	G	96.4	Very high	97.5	Very high	18 Å²	18	16.2 Å²	16.2	19%	0.186	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	8	179.2	0	0	0	0	0	115.8	C472	C472-G474 VanDerWaalsContact C-N 3.28Å; C472-G474 PolarHBondContact O-N 3.49Å
475	Q	96.1	Very high	97.5	Very high	78 Å²	78	17.5 Å²	17.5	36%	0.364	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.5	177.3	-65	-176.1	73.4	0	0	110.7	V471 C472 N473 V477 I532	V471-Q475 CarbonylContact C-O 3.53Å; V471-Q475 WeakPolarHBondContact CA-O 3.36Å; C472-Q475 PolarHBondContact N-O 3.1Å; C472-Q475 PolarHBondContact O-N 3.23Å; N473-Q475 VanDerWaalsContact C-N 3.32Å; N473-Q475 PolarHBondContact O-N 3.26Å; Q475-V477 PolarHBondContact O-N 2.99Å; Q475-I532 HydrophobicContact CB-CD1 3.93Å
476	E	97	Very high	97.5	Very high	70 Å²	70	20.5 Å²	20.5	33%	0.327	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	117.2	168	-175.4	-155.5	128.8	0	0	109.1	K305 D469 R528	K305-E476 HydrophobicContact CD-CB 4.38Å; D469-E476 HydrophobicContact CB-CG 4.26Å; E476-R528 WeakPolarHBondContact O-CD 3.31Å; E476-R528 PolarHBondContact O-NH1 3.44Å
477	V	97.6	Very high	97.4	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.018	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-11.6	180	-65	0	0	0	0	112.9	F421 L470 C472 Q475 L524 G525 L529 I532	F421-V477 HydrophobicContact CE1-CG2 4.33Å; L470-V477 HydrophobicContact CB-CG2 4.12Å; L470-V477 HydrophobicContact CD2-CG2 3.79Å; L470-V477 HydrophobicContact CG-CG2 3.68Å; L470-V477 VanDerWaalsContact O-CG2 3.27Å; L470-V477 WeakPolarHBondContact O-CG2 3.36Å; L470-V477 PolarHBondContact O-N 3.4Å; C472-V477 HydrophobicContact CB-CG1 3.83Å; C472-V477 HydrophobicContact CB-CG2 4.06Å; Q475-V477 PolarHBondContact O-N 2.99Å; V477-L524 WeakPolarHBondContact O-CA 3.27Å; V477-G525 PolarHBondContact O-N 3.46Å; V477-L529 HydrophobicContact CB-CD1 4.11Å; V477-L529 HydrophobicContact CG1-CD1 4.26Å; V477-L529 HydrophobicContact CG2-CD1 4.29Å; V477-I532 HydrophobicContact CG1-CD1 3.35Å
478	G	97.9	Very high	97.5	Very high	3 Å²	3	26.9 Å²	26.9	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	157.7	168.5	0	0	0	0	0	112.3	D469 L470 A523	D469-G478 CarbonylContact C-O 3.58Å; D469-G478 WeakPolarHBondContact CA-O 3.33Å; L470-G478 PolarHBondContact N-O 3.46Å; L470-G478 PolarHBondContact O-N 3.23Å; G478-A523 CarbonylContact C-O 3.51Å; G478-A523 WeakPolarHBondContact CA-O 3.31Å
479	G	97.7	Very high	97.4	Very high	20 Å²	20	28.2 Å²	28.2	21%	0.206	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	145.6	-178.6	0	0	0	0	0	111.1	D469 I522 A523	D469-G479 WeakPolarHBondContact OD1-CA 3.36Å; G479-I522 WeakPolarHBondContact O-CG1 3.47Å; G479-A523 PolarHBondContact N-O 3.31Å; G479-A523 VanDerWaalsContact N-O 3.07Å; G479-A523 PolarHBondContact O-N 3.22Å
480	G	97.5	Very high	97.3	Very high	5 Å²	5	28 Å²	28	5%	0.052	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	173.8	-172.6	0	0	0	0	0	113.6	H467 Y468 G521	H467-G480 WeakPolarHBondContact CA-O 3.44Å; Y468-G480 VanDerWaalsContact CE2-C 3.45Å; Y468-G480 PolarHBondContact N-O 3.02Å; Y468-G480 PolarHBondContact O-N 3.37Å; G480-G521 CarbonylContact C-O 3.54Å; G480-G521 WeakPolarHBondContact CA-O 3.39Å
481	S	98.1	Very high	97.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	163.9	174.9	86.9	0	0	0	0	112.2	H443 T446 L466 Y468 R483 G520 G521	H443-S481 PolarHBondContact CE1-OG 2.91Å; H443-S481 VanDerWaalsContact CE1-OG 3.31Å; T446-S481 WeakPolarHBondContact CB-OG 3.3Å; T446-S481 VanDerWaalsContact CG2-CB 3.45Å; T446-S481 WeakPolarHBondContact CG2-OG 3.17Å; T446-S481 VanDerWaalsContact OG1-CB 3.28Å; T446-S481 WeakPolarHBondContact OG1-CB 3.29Å; T446-S481 PolarHBondContact OG1-OG 3.24Å; L466-S481 CarbonylContact O-C 3.37Å; L466-S481 WeakPolarHBondContact O-CA 3.45Å; L466-S481 VanDerWaalsContact O-CB 3.31Å; L466-S481 WeakPolarHBondContact O-CB 3.45Å; Y468-S481 PolarHBondContact OH-N 3.06Å; Y468-S481 PolarHBondContact OH-O 3.24Å; S481-R483 PolarHBondContact O-NE 2.9Å; S481-R483 PolarHBondContact O-NH1 3.2Å; S481-R483 PolarHBondContact OG-NH1 3.07Å; S481-G520 WeakPolarHBondContact O-CA 3.48Å; S481-G521 PolarHBondContact N-O 3.2Å; S481-G521 PolarHBondContact O-N 3.2Å
482	I	98.5	Very high	97	Very high	15 Å²	15	36.7 Å²	36.7	8%	0.077	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	143.1	156.1	-55.5	-53	0	0	0	108.8	I256 P258 T446 A447 L466 H519	I256-I482 HydrophobicContact CD1-CD1 4.38Å; P258-I482 HydrophobicContact CG-CD1 4.15Å; P258-I482 HydrophobicContact CG-CG1 3.69Å; T446-I482 WeakPolarHBondContact CA-O 3.35Å; A447-I482 HydrophobicContact CB-CB 4.45Å; A447-I482 HydrophobicContact CB-CG2 4.15Å; A447-I482 PolarHBondContact N-O 2.95Å; L466-I482 HydrophobicContact CB-CB 3.8Å; L466-I482 HydrophobicContact CB-CG1 4.02Å; L466-I482 HydrophobicContact CD1-CB 3.94Å; L466-I482 HydrophobicContact CD1-CG1 4.2Å; L466-I482 HydrophobicContact CD1-CG2 4.12Å; L466-I482 PolarHBondContact O-N 2.99Å; I482-H519 WeakPolarHBondContact CG2-O 3.34Å
483	R	97.9	Very high	96.8	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-98	149.4	-173.5	-46.5	-52.5	-179.2	-170.3	6.2	112.2	K215 Q216 E252 H443 F445 S481 H485 H519	K215-R483 VanDerWaalsContact CE-NH2 3.32Å; Q216-R483 HydrophobicContact CG-CG 4.05Å; E252-R483 VanDerWaalsContact OE1-CG 3.24Å; E252-R483 WeakPolarHBondContact OE1-CG 3.33Å; E252-R483 IonicContact OE1-CZ 2.9Å; E252-R483 IonicContact OE1-NE 3.39Å; E252-R483 PolarHBondContact OE1-NE 2.97Å; E252-R483 IonicContact OE1-NH2 3.9Å; E252-R483 IonicContact OE2-CZ 3.79Å; E252-R483 IonicContact OE2-NE 2.9Å; E252-R483 PolarHBondContact OE2-NE 3.21Å; E252-R483 VanDerWaalsContact OE2-NE 3.11Å; E252-R483 IonicContact OE2-NH2 3.88Å; E252-R483 PolarHBondContact OE2-NH2 2.74Å; H443-R483 PolarHBondContact CE1-NH1 2.84Å; H443-R483 PolarHBondContact NE2-NH1 2.94Å; F445-R483 CarbonylContact O-C 3.55Å; F445-R483 VanDerWaalsContact O-CA 3.24Å; F445-R483 WeakPolarHBondContact O-CA 3.37Å; S481-R483 PolarHBondContact O-NE 2.9Å; S481-R483 PolarHBondContact O-NH1 3.2Å; S481-R483 PolarHBondContact OG-NH1 3.07Å; R483-H485 PolarHBondContact O-N 3.21Å; R483-H519 VanDerWaalsContact CB-NE2 3.31Å; R483-H519 WeakPolarHBondContact CB-NE2 3.37Å; R483-H519 WeakPolarHBondContact CG-CD2 3.3Å; R483-H519 WeakPolarHBondContact CG-NE2 3.22Å; R483-H519 PolarHBondContact N-O 3.21Å
484	V	97.4	Very high	96.7	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.036	18%	0.182	C	C	.	.			trans	-69.1	113.6	166.4	-172.2	0	0	0	0	107.9	F445 T446 A447 N486 V489 Q490 I493	F445-V484 PolarHBondContact O-N 3.29Å; T446-V484 VanDerWaalsContact C-CG2 3.48Å; T446-V484 VanDerWaalsContact O-CG2 3.24Å; T446-V484 WeakPolarHBondContact O-CG2 3.4Å; A447-V484 HydrophobicContact CB-CG2 4.5Å; V484-N486 WeakPolarHBondContact CG1-O 3.44Å; V484-V489 HydrophobicContact CG1-CB 3.89Å; V484-V489 HydrophobicContact CG1-CG1 3.81Å; V484-Q490 HydrophobicContact CB-CB 4.3Å; V484-Q490 HydrophobicContact CG1-CB 3.77Å; V484-I493 HydrophobicContact CG2-CD1 3.91Å
485	H	97	Very high	96.6	Very high	74 Å²	74	36.5 Å²	36.5	34%	0.343	18%	0.183	S	C	.	.			trans	-100.5	-16.5	175.2	61.7	-80.8	0	0	0	112.3	R483 A516 P517	R483-H485 PolarHBondContact O-N 3.21Å; H485-A516 HydrophobicContact CB-CB 4.09Å; H485-P517 WeakPolarHBondContact CB-O 3.24Å
486	N	97.3	Very high	96.5	Very high	65 Å²	65	38.2 Å²	38.2	35%	0.348	19%	0.192	S	C	.	.			trans	-80	119.4	176.1	-179.1	-54	0	0	0	110.2	V484 E488 V489 Q490	V484-N486 WeakPolarHBondContact CG1-O 3.44Å; N486-E488 PolarHBondContact O-N 3.44Å; N486-E488 WeakPolarHBondContact OD1-CA 3.19Å; N486-E488 WeakPolarHBondContact OD1-CB 3.48Å; N486-E488 PolarHBondContact OD1-N 2.99Å; N486-V489 HydrophobicContact CB-CB 4.13Å; N486-V489 HydrophobicContact CB-CG2 3.93Å; N486-V489 PolarHBondContact O-N 2.99Å; N486-V489 PolarHBondContact OD1-N 2.83Å; N486-V489 VanDerWaalsContact OD1-N 3.09Å; N486-Q490 PolarHBondContact O-N 2.91Å
487	P	96.4	Very high	96.4	Very high	29 Å²	29	35.2 Å²	35.2	19%	0.188	18%	0.177	C	C	.	.	H	α-helix	trans	-65.7	-33	-175.5	25.7	-34.4	0	0	0	113.6	K491 L512 N513	P487-K491 VanDerWaalsContact O-CB 3.24Å; P487-K491 WeakPolarHBondContact O-CB 3.41Å; P487-K491 PolarHBondContact O-N 3.2Å; P487-L512 HydrophobicContact CB-CB 3.97Å; P487-N513 HydrophobicContact CB-CB 4.33Å; P487-N513 HydrophobicContact CG-CB 4.27Å
488	E	96	Very high	96.2	Very high	150 Å²	150	36 Å²	36	70%	0.701	18%	0.181	S	C	*	.	H	α-helix	trans	-69.6	-42.9	179.1	-59.7	-177.5	167.5	0	0	111.1	N486 K491 Y492	N486-E488 PolarHBondContact O-N 3.44Å; N486-E488 WeakPolarHBondContact OD1-CA 3.19Å; N486-E488 WeakPolarHBondContact OD1-CB 3.48Å; N486-E488 PolarHBondContact OD1-N 2.99Å; E488-K491 PolarHBondContact O-N 2.89Å; E488-Y492 WeakPolarHBondContact O-CB 3.42Å; E488-Y492 PolarHBondContact O-N 3.09Å
489	V	96.8	Very high	95.9	Very high	29 Å²	29	44 Å²	44	18%	0.176	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-46.9	175.3	178.2	0	0	0	0	110.3	L456 V484 N486 K491 Y492 I493	L456-V489 HydrophobicContact CD1-CG1 4.04Å; V484-V489 HydrophobicContact CG1-CB 3.89Å; V484-V489 HydrophobicContact CG1-CG1 3.81Å; N486-V489 HydrophobicContact CB-CB 4.13Å; N486-V489 HydrophobicContact CB-CG2 3.93Å; N486-V489 PolarHBondContact O-N 2.99Å; N486-V489 PolarHBondContact OD1-N 2.83Å; N486-V489 VanDerWaalsContact OD1-N 3.09Å; V489-K491 VanDerWaalsContact C-N 3.34Å; V489-K491 PolarHBondContact O-N 2.78Å; V489-Y492 PolarHBondContact O-N 2.73Å; V489-I493 HydrophobicContact CG1-CD1 4.03Å; V489-I493 WeakPolarHBondContact O-CG1 3.49Å; V489-I493 PolarHBondContact O-N 3.17Å
490	Q	95.9	Very high	95.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-41.9	179.5	-175.2	65.3	79.3	0	0	111.4	P444 V484 N486 I493 F494 F508 L509 L512	P444-Q490 PolarHBondContact O-NE2 3.08Å; V484-Q490 HydrophobicContact CB-CB 4.3Å; V484-Q490 HydrophobicContact CG1-CB 3.77Å; N486-Q490 PolarHBondContact O-N 2.91Å; Q490-I493 PolarHBondContact O-N 3.28Å; Q490-F494 HydrophobicContact CG-CD2 4.03Å; Q490-F494 HydrophobicContact CG-CE2 3.49Å; Q490-F494 VanDerWaalsContact CG-CE2 3.49Å; Q490-F494 HydrophobicContact CG-CZ 4.04Å; Q490-F494 VanDerWaalsContact O-CD2 3.32Å; Q490-F494 WeakPolarHBondContact O-CD2 3.28Å; Q490-F494 PolarHBondContact O-N 2.81Å; Q490-F494 VanDerWaalsContact O-N 3.1Å; Q490-F508 HydrophobicContact CG-CE1 4.24Å; Q490-L509 HydrophobicContact CB-CD2 4.03Å; Q490-L509 HydrophobicContact CG-CD2 3.88Å; Q490-L512 HydrophobicContact CB-CD1 3.79Å; Q490-L512 HydrophobicContact CG-CD1 3.81Å
491	K	95.2	Very high	94.3	Very high	114 Å²	114	49.4 Å²	49.4	50%	0.496	24%	0.237	S	C	.	.	H	α-helix	trans	-61.3	-45.9	175.4	-175.9	176.7	-179.7	178.8	0	111.3	P487 E488 V489 I493 F494 T495 L509	P487-K491 VanDerWaalsContact O-CB 3.24Å; P487-K491 WeakPolarHBondContact O-CB 3.41Å; P487-K491 PolarHBondContact O-N 3.2Å; E488-K491 PolarHBondContact O-N 2.89Å; V489-K491 VanDerWaalsContact C-N 3.34Å; V489-K491 PolarHBondContact O-N 2.78Å; K491-I493 VanDerWaalsContact C-N 3.34Å; K491-I493 PolarHBondContact O-N 2.92Å; K491-F494 PolarHBondContact O-N 3.31Å; K491-T495 HydrophobicContact CG-CG2 4.41Å; K491-T495 PolarHBondContact O-N 2.87Å; K491-T495 PolarHBondContact O-OG1 2.89Å; K491-L509 HydrophobicContact CB-CD1 4.1Å; K491-L509 HydrophobicContact CB-CD2 4.09Å; K491-L509 HydrophobicContact CD-CD1 4.49Å; K491-L509 HydrophobicContact CG-CD1 4.11Å
492	Y	95.8	Very high	93.1	Very high	69 Å²	69	51.1 Å²	51.1	27%	0.271	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-42.6	178	-173.6	-88.3	0	0	0	112.2	L456 Y457 E488 V489 F494 E496 I497	L456-Y492 WeakPolarHBondContact O-CE1 3.31Å; Y457-Y492 AromaticContact CD1-CD1 3.94Å; Y457-Y492 HydrophobicContact CD1-CD1 3.94Å; Y457-Y492 AromaticContact CD1-CD2 3.99Å; Y457-Y492 HydrophobicContact CD1-CD2 3.99Å; Y457-Y492 AromaticContact CD1-CE1 3.63Å; Y457-Y492 HydrophobicContact CD1-CE1 3.63Å; Y457-Y492 AromaticContact CD1-CE2 3.67Å; Y457-Y492 HydrophobicContact CD1-CE2 3.67Å; Y457-Y492 HydrophobicContact CD1-CG 4.13Å; Y457-Y492 AromaticContact CD1-CZ 3.5Å; Y457-Y492 VanDerWaalsContact CD1-CZ 3.5Å; Y457-Y492 AromaticContact CE1-CD1 3.83Å; Y457-Y492 HydrophobicContact CE1-CD1 3.83Å; Y457-Y492 AromaticContact CE1-CD2 3.89Å; Y457-Y492 HydrophobicContact CE1-CD2 3.89Å; Y457-Y492 HydrophobicContact CE1-CE1 4.02Å; Y457-Y492 HydrophobicContact CE1-CE2 4.07Å; Y457-Y492 AromaticContact CE1-CG 3.77Å; Y457-Y492 HydrophobicContact CE1-CG 3.77Å; E488-Y492 WeakPolarHBondContact O-CB 3.42Å; E488-Y492 PolarHBondContact O-N 3.09Å; V489-Y492 PolarHBondContact O-N 2.73Å; Y492-F494 PolarHBondContact O-N 2.83Å; Y492-E496 HydrophobicContact CD1-CB 4.29Å; Y492-E496 HydrophobicContact CD2-CB 3.95Å; Y492-E496 HydrophobicContact CD2-CG 3.48Å; Y492-E496 VanDerWaalsContact CD2-CG 3.48Å; Y492-E496 HydrophobicContact CE1-CB 4.04Å; Y492-E496 HydrophobicContact CE2-CB 3.7Å; Y492-E496 HydrophobicContact CE2-CG 3.46Å; Y492-E496 VanDerWaalsContact CE2-CG 3.46Å; Y492-E496 HydrophobicContact CG-CB 4.23Å; Y492-E496 HydrophobicContact CG-CG 4.1Å; Y492-E496 WeakPolarHBondContact O-CB 3.49Å; Y492-E496 PolarHBondContact O-N 2.91Å; Y492-I497 HydrophobicContact CD1-CD1 4.05Å; Y492-I497 HydrophobicContact CD1-CG1 4.04Å; Y492-I497 HydrophobicContact CE1-CD1 3.94Å; Y492-I497 HydrophobicContact CE1-CG1 3.76Å; Y492-I497 PolarHBondContact O-N 3.43Å
493	I	95.3	Very high	92.2	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.273	C	S	.	.	I	π-helix	trans	-59.4	-47.6	175.5	-70	168.1	0	0	0	110.5	F430 L456 V484 V489 Q490 K491 I497 L498	F430-I493 HydrophobicContact CE1-CG2 4.06Å; F430-I493 HydrophobicContact CZ-CG1 4.22Å; F430-I493 HydrophobicContact CZ-CG2 4.17Å; L456-I493 HydrophobicContact CD2-CD1 4.38Å; L456-I493 HydrophobicContact CD2-CG1 4.2Å; V484-I493 HydrophobicContact CG2-CD1 3.91Å; V489-I493 HydrophobicContact CG1-CD1 4.03Å; V489-I493 WeakPolarHBondContact O-CG1 3.49Å; V489-I493 PolarHBondContact O-N 3.17Å; Q490-I493 PolarHBondContact O-N 3.28Å; K491-I493 VanDerWaalsContact C-N 3.34Å; K491-I493 PolarHBondContact O-N 2.92Å; I493-I497 HydrophobicContact CG1-CD1 4.24Å; I493-L498 HydrophobicContact CG2-CD1 3.79Å; I493-L498 HydrophobicContact CG2-CG 4.17Å; I493-L498 WeakPolarHBondContact O-CB 3.3Å; I493-L498 WeakPolarHBondContact O-CG 3.39Å; I493-L498 PolarHBondContact O-N 3.43Å
494	F	93.5	Very high	91.5	Very high	1 Å²	1	58.1 Å²	58.1	0%	0.004	29%	0.29	C	S	.	.	I	π-helix	trans	-64.2	-50.2	179	-69.1	-41.5	0	0	0	112.8	P444 F445 Q490 K491 Y492 K499 E500 M505 L509	P444-F494 HydrophobicContact CB-CD1 4.19Å; P444-F494 HydrophobicContact CB-CE1 3.65Å; P444-F494 HydrophobicContact CG-CE1 3.8Å; F445-F494 HydrophobicContact CD1-CZ 4.14Å; F445-F494 HydrophobicContact CE1-CE1 4.48Å; F445-F494 AromaticContact CE1-CZ 3.71Å; F445-F494 HydrophobicContact CE1-CZ 3.71Å; F445-F494 HydrophobicContact CZ-CZ 4.33Å; Q490-F494 HydrophobicContact CG-CD2 4.03Å; Q490-F494 HydrophobicContact CG-CE2 3.49Å; Q490-F494 VanDerWaalsContact CG-CE2 3.49Å; Q490-F494 HydrophobicContact CG-CZ 4.04Å; Q490-F494 VanDerWaalsContact O-CD2 3.32Å; Q490-F494 WeakPolarHBondContact O-CD2 3.28Å; Q490-F494 PolarHBondContact O-N 2.81Å; Q490-F494 VanDerWaalsContact O-N 3.1Å; K491-F494 PolarHBondContact O-N 3.31Å; Y492-F494 PolarHBondContact O-N 2.83Å; F494-K499 PolarHBondContact O-N 2.73Å; F494-E500 WeakPolarHBondContact CD1-OE2 3.2Å; F494-E500 PolarHBondContact O-N 3.48Å; F494-M505 HydrophobicContact CD2-CB 4.2Å; F494-M505 HydrophobicContact CD2-CG 4.39Å; F494-M505 HydrophobicContact CE2-CB 3.99Å; F494-M505 HydrophobicContact CE2-CE 4.03Å; F494-M505 HydrophobicContact CE2-CG 4.09Å; F494-M505 HydrophobicContact CZ-CE 3.77Å; F494-M505 HydrophobicContact CZ-CG 4.27Å; F494-L509 HydrophobicContact CD2-CD2 4.36Å; F494-L509 HydrophobicContact CE2-CD2 4.39Å
495	T	93.2	Very high	91.2	Very high	33 Å²	33	57.9 Å²	57.9	20%	0.202	29%	0.288	C	S	.	.	I	π-helix	trans	-85.1	-47.5	-170.1	62.1	0	0	0	0	113.6	K491 K499	K491-T495 HydrophobicContact CG-CG2 4.41Å; K491-T495 PolarHBondContact O-N 2.87Å; K491-T495 PolarHBondContact O-OG1 2.89Å; T495-K499 WeakPolarHBondContact O-CA 3.44Å
496	E	94.6	Very high	91	Very high	115 Å²	115	60.3 Å²	60.3	54%	0.537	30%	0.3	S	S	.	.	I	π-helix	trans	-89.6	-40.4	-169.2	-54.4	-49.2	127.7	0	0	112.1	Y492	Y492-E496 HydrophobicContact CD1-CB 4.29Å; Y492-E496 HydrophobicContact CD2-CB 3.95Å; Y492-E496 HydrophobicContact CD2-CG 3.48Å; Y492-E496 VanDerWaalsContact CD2-CG 3.48Å; Y492-E496 HydrophobicContact CE1-CB 4.04Å; Y492-E496 HydrophobicContact CE2-CB 3.7Å; Y492-E496 HydrophobicContact CE2-CG 3.46Å; Y492-E496 VanDerWaalsContact CE2-CG 3.46Å; Y492-E496 HydrophobicContact CG-CB 4.23Å; Y492-E496 HydrophobicContact CG-CG 4.1Å; Y492-E496 WeakPolarHBondContact O-CB 3.49Å; Y492-E496 PolarHBondContact O-N 2.91Å
497	I	94.8	Very high	90.8	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.031	30%	0.298	C	S	.	.	I	π-helix	trans	-85.6	-61.5	-177.8	-55.4	-178.4	0	0	0	110.5	F430 W438 L456 P460 Y492 I493	F430-I497 HydrophobicContact CD1-CG2 3.93Å; F430-I497 HydrophobicContact CD2-CG2 4.47Å; F430-I497 HydrophobicContact CE1-CG2 3.86Å; F430-I497 HydrophobicContact CE2-CD1 3.92Å; F430-I497 HydrophobicContact CE2-CG2 4.41Å; F430-I497 HydrophobicContact CG-CG2 4.24Å; F430-I497 HydrophobicContact CZ-CD1 3.78Å; F430-I497 HydrophobicContact CZ-CG2 4.11Å; W438-I497 HydrophobicContact CB-CG2 3.9Å; W438-I497 HydrophobicContact CG-CG2 4.09Å; L456-I497 HydrophobicContact CD2-CD1 3.78Å; P460-I497 HydrophobicContact CB-CG2 4.29Å; P460-I497 HydrophobicContact CG-CD1 4.47Å; P460-I497 HydrophobicContact CG-CG1 4.5Å; P460-I497 HydrophobicContact CG-CG2 4.34Å; Y492-I497 HydrophobicContact CD1-CD1 4.05Å; Y492-I497 HydrophobicContact CD1-CG1 4.04Å; Y492-I497 HydrophobicContact CE1-CD1 3.94Å; Y492-I497 HydrophobicContact CE1-CG1 3.76Å; Y492-I497 PolarHBondContact O-N 3.43Å; I493-I497 HydrophobicContact CG1-CD1 4.24Å
498	L	93	Very high	90.7	Very high	19 Å²	19	59.5 Å²	59.5	10%	0.099	29%	0.289	C	S	.	.	S	Bend	trans	-82.9	-17.8	-173	-60.3	178.8	0	0	0	113.2	F430 P444 I493 E500	F430-L498 HydrophobicContact CD1-CD2 4.1Å; F430-L498 HydrophobicContact CE1-CD2 4.2Å; P444-L498 HydrophobicContact CB-CD1 3.41Å; P444-L498 VanDerWaalsContact CB-CD1 3.41Å; I493-L498 HydrophobicContact CG2-CD1 3.79Å; I493-L498 HydrophobicContact CG2-CG 4.17Å; I493-L498 WeakPolarHBondContact O-CB 3.3Å; I493-L498 WeakPolarHBondContact O-CG 3.39Å; I493-L498 PolarHBondContact O-N 3.43Å; L498-E500 HydrophobicContact CB-CG 3.88Å; L498-E500 PolarHBondContact O-N 3.11Å
499	K	91.3	Very high	90.7	Very high	173 Å²	173	53.4 Å²	53.4	75%	0.752	26%	0.261	S	S	*	.			trans	55.2	36	-178.4	-55.6	-175.6	178.7	-175.4	0	112.9	F494 T495	F494-K499 PolarHBondContact O-N 2.73Å; T495-K499 WeakPolarHBondContact O-CA 3.44Å
500	E	84.8	Confident	90.7	Very high	42 Å²	42	55.9 Å²	55.9	20%	0.196	28%	0.276	C	S	.	.			trans	-83.3	155.3	174.6	-65.3	-178.1	153.1	0	0	110.4	P188 G189 F494 L498 S502	P188-E500 VanDerWaalsContact CB-CD 3.41Å; P188-E500 HydrophobicContact CB-CG 4.34Å; P188-E500 WeakPolarHBondContact CB-OE1 3.19Å; P188-E500 VanDerWaalsContact CB-OE2 3.28Å; P188-E500 WeakPolarHBondContact CB-OE2 3.18Å; G189-E500 WeakPolarHBondContact CA-OE1 3.37Å; G189-E500 PolarHBondContact N-OE1 3.16Å; G189-E500 VanDerWaalsContact N-OE1 3.14Å; F494-E500 WeakPolarHBondContact CD1-OE2 3.2Å; F494-E500 PolarHBondContact O-N 3.48Å; L498-E500 HydrophobicContact CB-CG 3.88Å; L498-E500 PolarHBondContact O-N 3.11Å; E500-S502 PolarHBondContact O-N 2.89Å; E500-S502 VanDerWaalsContact O-N 3.1Å
501	N	78.5	Confident	90.8	Very high	95 Å²	95	56.9 Å²	56.9	51%	0.508	28%	0.284	S	S	.	.			trans	-71.5	106.6	178	-176.2	-4.4	0	0	0	110.6	C503 E504	N501-C503 PolarHBondContact O-N 3.38Å; N501-C503 VanDerWaalsContact OD1-CB 3.29Å; N501-C503 WeakPolarHBondContact OD1-CB 3.24Å; N501-C503 PolarHBondContact OD1-N 3.01Å; N501-E504 HydrophobicContact CB-CG 4.35Å; N501-E504 PolarHBondContact O-N 3.28Å
502	S	73.1	Confident	90.9	Very high	37 Å²	37	51.6 Å²	51.6	26%	0.259	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-64	-24.6	179.5	54.8	0	0	0	0	114.4	E500 E504 M505 E506	E500-S502 PolarHBondContact O-N 2.89Å; E500-S502 VanDerWaalsContact O-N 3.1Å; S502-E504 PolarHBondContact O-N 3.26Å; S502-M505 CarbonylContact O-C 3.48Å; S502-M505 PolarHBondContact O-N 3.17Å; S502-E506 PolarHBondContact O-N 2.94Å
503	C	79.6	Confident	91	Very high	86 Å²	86	54.2 Å²	54.2	58%	0.581	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-60.6	-31.8	178	-65.7	0	0	0	0	111.4	N501 M505	N501-C503 PolarHBondContact O-N 3.38Å; N501-C503 VanDerWaalsContact OD1-CB 3.29Å; N501-C503 WeakPolarHBondContact OD1-CB 3.24Å; N501-C503 PolarHBondContact OD1-N 3.01Å; C503-M505 PolarHBondContact O-N 2.85Å
504	E	83.2	Confident	91.1	Very high	76 Å²	76	58.6 Å²	58.6	36%	0.355	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-67.2	-23.8	176.1	-65.1	-58.1	143.6	0	0	112.4	K185 N501 S502 Y507	K185-E504 WeakPolarHBondContact CE-O 3.43Å; K185-E504 WeakPolarHBondContact CE-OE2 3.19Å; K185-E504 PolarHBondContact NZ-O 3.39Å; K185-E504 IonicContact NZ-OE2 3.89Å; K185-E504 PolarHBondContact NZ-OE2 2.79Å; N501-E504 HydrophobicContact CB-CG 4.35Å; N501-E504 PolarHBondContact O-N 3.28Å; S502-E504 PolarHBondContact O-N 3.26Å; E504-Y507 VanDerWaalsContact O-CE1 3.27Å; E504-Y507 WeakPolarHBondContact O-CE1 3.37Å
505	M	89.5	Confident	91.1	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-109.4	10.2	-174.4	-62.1	-58.7	-64.9	0	0	113.3	P188 Q213 F445 F494 S502 C503 Y507 F508 L509	P188-M505 HydrophobicContact CG-CG 4.09Å; P188-M505 HydrophobicContact CG-SD 3.89Å; Q213-M505 VanDerWaalsContact OE1-CE 3.25Å; F445-M505 HydrophobicContact CE1-CE 3.68Å; F445-M505 HydrophobicContact CZ-CE 3.84Å; F494-M505 HydrophobicContact CD2-CB 4.2Å; F494-M505 HydrophobicContact CD2-CG 4.39Å; F494-M505 HydrophobicContact CE2-CB 3.99Å; F494-M505 HydrophobicContact CE2-CE 4.03Å; F494-M505 HydrophobicContact CE2-CG 4.09Å; F494-M505 HydrophobicContact CZ-CE 3.77Å; F494-M505 HydrophobicContact CZ-CG 4.27Å; S502-M505 CarbonylContact O-C 3.48Å; S502-M505 PolarHBondContact O-N 3.17Å; C503-M505 PolarHBondContact O-N 2.85Å; M505-Y507 PolarHBondContact O-N 3.49Å; M505-F508 HydrophobicContact CE-CB 3.93Å; M505-F508 HydrophobicContact CE-CD1 4.08Å; M505-F508 HydrophobicContact CE-CG 4.05Å; M505-F508 WeakPolarHBondContact O-CB 3.43Å; M505-F508 PolarHBondContact O-N 3.04Å; M505-L509 PolarHBondContact O-N 3.34Å
506	E	92.5	Very high	91.4	Very high	125 Å²	125	60.4 Å²	60.4	58%	0.584	34%	0.335	S	S	*	.	H	α-helix	trans	-58.3	-45.7	-175.4	-173.2	171.8	-174.6	0	0	112.3	S502 F508 L509 T510	S502-E506 PolarHBondContact O-N 2.94Å; E506-F508 PolarHBondContact O-N 3.42Å; E506-L509 PolarHBondContact O-N 3.42Å; E506-T510 WeakPolarHBondContact O-CB 3.31Å; E506-T510 PolarHBondContact O-N 2.97Å; E506-T510 PolarHBondContact O-OG1 2.84Å
507	Y	94	Very high	91.5	Very high	77 Å²	77	55.7 Å²	55.7	30%	0.302	31%	0.314	S	S	.	.	H	α-helix	trans	-57.4	-36.3	176.8	71.7	-83.9	0	0	0	112.7	F184 K185 Q213 L217 E504 M505 A511	F184-Y507 HydrophobicContact CZ-CE2 4.49Å; F184-Y507 WeakPolarHBondContact CZ-OH 3.5Å; K185-Y507 HydrophobicContact CD-CE1 3.71Å; Q213-Y507 VanDerWaalsContact CD-OH 3.31Å; Q213-Y507 PolarHBondContact OE1-OH 2.65Å; L217-Y507 HydrophobicContact CD1-CE2 4.43Å; E504-Y507 VanDerWaalsContact O-CE1 3.27Å; E504-Y507 WeakPolarHBondContact O-CE1 3.37Å; M505-Y507 PolarHBondContact O-N 3.49Å; Y507-A511 WeakPolarHBondContact O-CB 3.46Å; Y507-A511 PolarHBondContact O-N 2.83Å
508	F	94.8	Very high	91.7	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-73.5	-43.7	-179	-175	-101.7	0	0	0	110.4	Q216 L217 F445 Q490 M505 E506 A511 L512	Q216-F508 HydrophobicContact CB-CE2 3.96Å; Q216-F508 HydrophobicContact CB-CZ 4.17Å; L217-F508 HydrophobicContact CD2-CD2 4.07Å; L217-F508 HydrophobicContact CD2-CE2 4.46Å; L217-F508 HydrophobicContact CG-CD2 4.35Å; F445-F508 HydrophobicContact CD1-CD1 4.48Å; F445-F508 AromaticContact CD1-CE1 3.69Å; F445-F508 HydrophobicContact CD1-CE1 3.69Å; F445-F508 AromaticContact CD1-CZ 3.86Å; F445-F508 HydrophobicContact CD1-CZ 3.86Å; F445-F508 HydrophobicContact CE1-CD1 4.13Å; F445-F508 AromaticContact CE1-CE1 3.76Å; F445-F508 HydrophobicContact CE1-CE1 3.76Å; F445-F508 HydrophobicContact CE1-CZ 4.02Å; Q490-F508 HydrophobicContact CG-CE1 4.24Å; M505-F508 HydrophobicContact CE-CB 3.93Å; M505-F508 HydrophobicContact CE-CD1 4.08Å; M505-F508 HydrophobicContact CE-CG 4.05Å; M505-F508 WeakPolarHBondContact O-CB 3.43Å; M505-F508 PolarHBondContact O-N 3.04Å; E506-F508 PolarHBondContact O-N 3.42Å; F508-A511 WeakPolarHBondContact O-CB 3.14Å; F508-A511 PolarHBondContact O-N 3.39Å; F508-L512 HydrophobicContact CD1-CD1 4.04Å; F508-L512 HydrophobicContact CD1-CG 4.33Å; F508-L512 HydrophobicContact CE1-CD1 3.65Å; F508-L512 HydrophobicContact CE1-CD2 4.39Å; F508-L512 HydrophobicContact CE1-CG 4.01Å; F508-L512 HydrophobicContact CZ-CD1 4.36Å; F508-L512 HydrophobicContact CZ-CD2 4.31Å; F508-L512 HydrophobicContact CZ-CG 4.34Å; F508-L512 WeakPolarHBondContact O-CG 3.48Å; F508-L512 PolarHBondContact O-N 2.88Å
509	L	95.7	Very high	91.9	Very high	23 Å²	23	57.1 Å²	57.1	12%	0.12	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-40.8	174.4	-65.2	175	0	0	0	111.9	Q490 K491 F494 M505 E506 A511 L512 N513	Q490-L509 HydrophobicContact CB-CD2 4.03Å; Q490-L509 HydrophobicContact CG-CD2 3.88Å; K491-L509 HydrophobicContact CB-CD1 4.1Å; K491-L509 HydrophobicContact CB-CD2 4.09Å; K491-L509 HydrophobicContact CD-CD1 4.49Å; K491-L509 HydrophobicContact CG-CD1 4.11Å; F494-L509 HydrophobicContact CD2-CD2 4.36Å; F494-L509 HydrophobicContact CE2-CD2 4.39Å; M505-L509 PolarHBondContact O-N 3.34Å; E506-L509 PolarHBondContact O-N 3.42Å; L509-A511 VanDerWaalsContact C-N 3.34Å; L509-L512 HydrophobicContact CD2-CD1 4.47Å; L509-L512 PolarHBondContact O-N 3.28Å; L509-N513 WeakPolarHBondContact O-CB 3.18Å; L509-N513 PolarHBondContact O-N 2.98Å
510	T	97.1	Very high	92.3	Very high	81 Å²	81	48.9 Å²	48.9	50%	0.497	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-42.8	173.5	-59	0	0	0	0	111.4	E506 N513 S514	E506-T510 WeakPolarHBondContact O-CB 3.31Å; E506-T510 PolarHBondContact O-N 2.97Å; E506-T510 PolarHBondContact O-OG1 2.84Å; T510-N513 PolarHBondContact O-N 3.48Å; T510-S514 PolarHBondContact O-N 3.37Å; T510-S514 PolarHBondContact O-OG 3.29Å
511	A	97.6	Very high	92.9	Very high	20 Å²	20	46.9 Å²	46.9	17%	0.165	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-45.4	175.6	0	0	0	0	0	111.4	L217 I220 Y507 F508 L509 N513 S514	L217-A511 HydrophobicContact CD2-CB 3.27Å; I220-A511 HydrophobicContact CD1-CB 3.85Å; I220-A511 WeakPolarHBondContact CG2-O 3.48Å; Y507-A511 WeakPolarHBondContact O-CB 3.46Å; Y507-A511 PolarHBondContact O-N 2.83Å; F508-A511 WeakPolarHBondContact O-CB 3.14Å; F508-A511 PolarHBondContact O-N 3.39Å; L509-A511 VanDerWaalsContact C-N 3.34Å; A511-N513 PolarHBondContact O-N 3.06Å; A511-S514 VanDerWaalsContact O-CB 3.27Å; A511-S514 WeakPolarHBondContact O-CB 3.37Å; A511-S514 PolarHBondContact O-N 3.42Å
512	L	97.6	Very high	93.9	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-56.2	-41.3	175.1	-72.4	-179.8	0	0	0	112	I220 P487 Q490 F508 L509 S514 G515 A516	I220-L512 HydrophobicContact CD1-CD2 4.01Å; P487-L512 HydrophobicContact CB-CB 3.97Å; Q490-L512 HydrophobicContact CB-CD1 3.79Å; Q490-L512 HydrophobicContact CG-CD1 3.81Å; F508-L512 HydrophobicContact CD1-CD1 4.04Å; F508-L512 HydrophobicContact CD1-CG 4.33Å; F508-L512 HydrophobicContact CE1-CD1 3.65Å; F508-L512 HydrophobicContact CE1-CD2 4.39Å; F508-L512 HydrophobicContact CE1-CG 4.01Å; F508-L512 HydrophobicContact CZ-CD1 4.36Å; F508-L512 HydrophobicContact CZ-CD2 4.31Å; F508-L512 HydrophobicContact CZ-CG 4.34Å; F508-L512 WeakPolarHBondContact O-CG 3.48Å; F508-L512 PolarHBondContact O-N 2.88Å; L509-L512 HydrophobicContact CD2-CD1 4.47Å; L509-L512 PolarHBondContact O-N 3.28Å; L512-S514 PolarHBondContact O-N 2.93Å; L512-G515 PolarHBondContact O-N 2.85Å; L512-A516 HydrophobicContact CB-CB 4.49Å; L512-A516 HydrophobicContact CD2-CB 3.59Å; L512-A516 PolarHBondContact O-N 2.99Å; L512-A516 VanDerWaalsContact O-N 3.15Å
513	N	97	Very high	95.1	Very high	125 Å²	125	41.1 Å²	41.1	67%	0.668	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.7	177.8	-161.1	55.9	0	0	0	114.2	P487 L509 T510 A511 G515	P487-N513 HydrophobicContact CB-CB 4.33Å; P487-N513 HydrophobicContact CG-CB 4.27Å; L509-N513 WeakPolarHBondContact O-CB 3.18Å; L509-N513 PolarHBondContact O-N 2.98Å; T510-N513 PolarHBondContact O-N 3.48Å; A511-N513 PolarHBondContact O-N 3.06Å; N513-G515 PolarHBondContact O-N 3.21Å
514	S	97.3	Very high	96	Very high	92 Å²	92	37 Å²	37	64%	0.643	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	6.5	175	-54.8	0	0	0	0	113	T510 A511 L512	T510-S514 PolarHBondContact O-N 3.37Å; T510-S514 PolarHBondContact O-OG 3.29Å; A511-S514 VanDerWaalsContact O-CB 3.27Å; A511-S514 WeakPolarHBondContact O-CB 3.37Å; A511-S514 PolarHBondContact O-N 3.42Å; L512-S514 PolarHBondContact O-N 2.93Å
515	G	95.1	Very high	96.6	Very high	58 Å²	58	34.1 Å²	34.1	60%	0.598	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	102.1	59	178.6	0	0	0	0	0	113	L512 N513	L512-G515 PolarHBondContact O-N 2.85Å; N513-G515 PolarHBondContact O-N 3.21Å
516	A	97.6	Very high	97	Very high	14 Å²	14	34.1 Å²	34.1	12%	0.116	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-68.2	124.2	174.4	0	0	0	0	0	112.1	I220 H485 L512	I220-A516 HydrophobicContact CD1-CB 4.09Å; I220-A516 HydrophobicContact CG1-CB 3.8Å; H485-A516 HydrophobicContact CB-CB 4.09Å; L512-A516 HydrophobicContact CB-CB 4.49Å; L512-A516 HydrophobicContact CD2-CB 3.59Å; L512-A516 PolarHBondContact O-N 2.99Å; L512-A516 VanDerWaalsContact O-N 3.15Å
517	P	98.1	Very high	97.3	Very high	16 Å²	16	28.4 Å²	28.4	10%	0.104	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-69.8	157.4	172.4	31.2	-35.1	0	0	0	110.4	M219 A254 F255 H485 H519	M219-P517 HydrophobicContact CB-CG 4.22Å; A254-P517 HydrophobicContact CB-CB 4.28Å; A254-P517 HydrophobicContact CB-CG 3.91Å; F255-P517 HydrophobicContact CD1-CB 4.19Å; F255-P517 HydrophobicContact CE1-CB 3.54Å; F255-P517 HydrophobicContact CE2-CB 4.14Å; F255-P517 HydrophobicContact CZ-CB 3.52Å; F255-P517 HydrophobicContact CZ-CG 4.43Å; H485-P517 WeakPolarHBondContact CB-O 3.24Å; P517-H519 PolarHBondContact O-N 2.93Å; P517-H519 PolarHBondContact O-ND1 3.38Å
518	P	97.9	Very high	97.4	Very high	56 Å²	56	27.2 Å²	27.2	36%	0.364	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-55.5	131.5	162.9	-21.6	33.1	0	0	0	109.3	A254 F255	A254-P518 CarbonylContact C-O 3.51Å; F255-P518 PolarHBondContact N-O 3.48Å
519	H	98.5	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	161.1	-175.7	59.8	-75.4	0	0	0	111.3	Q216 M219 E252 M253 I482 R483 P517	Q216-H519 WeakPolarHBondContact CG-NE2 3.43Å; M219-H519 HydrophobicContact CB-CB 4.1Å; M219-H519 HydrophobicContact CG-CB 3.76Å; M219-H519 HydrophobicContact SD-CB 4.42Å; E252-H519 IonicContact OE1-CD2 3.42Å; E252-H519 PolarHBondContact OE1-CD2 3.5Å; M253-H519 CarbonylContact O-C 3.58Å; M253-H519 WeakPolarHBondContact O-CA 3.44Å; M253-H519 VanDerWaalsContact O-CB 3.22Å; M253-H519 WeakPolarHBondContact O-CB 3.34Å; I482-H519 WeakPolarHBondContact CG2-O 3.34Å; R483-H519 VanDerWaalsContact CB-NE2 3.31Å; R483-H519 WeakPolarHBondContact CB-NE2 3.37Å; R483-H519 WeakPolarHBondContact CG-CD2 3.3Å; R483-H519 WeakPolarHBondContact CG-NE2 3.22Å; R483-H519 PolarHBondContact N-O 3.21Å; P517-H519 PolarHBondContact O-N 2.93Å; P517-H519 PolarHBondContact O-ND1 3.38Å
520	G	98.4	Very high	97.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	163.2	-179.8	0	0	0	0	0	111.8	E252 M253 I256 S481	E252-G520 CarbonylContact C-O 3.57Å; E252-G520 WeakPolarHBondContact CA-O 3.38Å; E252-G520 WeakPolarHBondContact OE1-CA 3.17Å; E252-G520 PolarHBondContact OE1-N 2.93Å; M253-G520 PolarHBondContact N-O 3.44Å; M253-G520 PolarHBondContact O-N 3.28Å; I256-G520 WeakPolarHBondContact CD1-O 3.27Å; S481-G520 WeakPolarHBondContact O-CA 3.48Å
521	G	98.3	Very high	97.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	176.4	-174	0	0	0	0	0	113.1	I251 E252 Y468 G480 S481	I251-G521 CarbonylContact O-C 3.59Å; I251-G521 WeakPolarHBondContact O-CA 3.5Å; E252-G521 PolarHBondContact OE1-N 2.95Å; Y468-G521 PolarHBondContact OH-N 3.39Å; Y468-G521 PolarHBondContact OH-O 3.33Å; G480-G521 CarbonylContact C-O 3.54Å; G480-G521 WeakPolarHBondContact CA-O 3.39Å; S481-G521 PolarHBondContact N-O 3.2Å; S481-G521 PolarHBondContact O-N 3.2Å
522	I	98.6	Very high	97.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	147.6	180	-171.6	170.7	0	0	0	109.3	I251 I261 I265 W423 Y468 G479 L524	I251-I522 HydrophobicContact CB-CG2 4.18Å; I251-I522 PolarHBondContact N-O 2.85Å; I251-I522 PolarHBondContact O-N 2.88Å; I261-I522 HydrophobicContact CG2-CB 4.09Å; I261-I522 HydrophobicContact CG2-CD1 4.49Å; I261-I522 HydrophobicContact CG2-CG2 3.97Å; I265-I522 HydrophobicContact CD1-CG2 3.56Å; I265-I522 HydrophobicContact CG1-CD1 4.25Å; I265-I522 HydrophobicContact CG1-CG2 3.83Å; W423-I522 HydrophobicContact CH2-CD1 3.6Å; W423-I522 HydrophobicContact CZ3-CD1 3.62Å; Y468-I522 HydrophobicContact CD2-CD1 4.47Å; Y468-I522 HydrophobicContact CE2-CB 4.22Å; Y468-I522 HydrophobicContact CE2-CD1 4.48Å; G479-I522 WeakPolarHBondContact O-CG1 3.47Å; I522-L524 HydrophobicContact CD1-CD2 3.89Å; I522-L524 HydrophobicContact CG1-CD2 4.19Å
523	A	98.3	Very high	97.4	Very high	10 Å²	10	22.6 Å²	22.6	8%	0.083	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.6	169.3	0	0	0	0	0	109.4	L249 G478 G479	L249-A523 CarbonylContact O-C 3.52Å; L249-A523 VanDerWaalsContact O-CA 3.31Å; L249-A523 WeakPolarHBondContact O-CA 3.43Å; G478-A523 CarbonylContact C-O 3.51Å; G478-A523 WeakPolarHBondContact CA-O 3.31Å; G479-A523 PolarHBondContact N-O 3.31Å; G479-A523 VanDerWaalsContact N-O 3.07Å; G479-A523 PolarHBondContact O-N 3.22Å
524	L	98.4	Very high	97.3	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.2	171.8	-56.5	-173.5	0	0	0	109.8	Q248 L249 I265 M268 L470 V477 I522 L526	Q248-L524 CarbonylContact C-O 3.56Å; Q248-L524 WeakPolarHBondContact CA-O 3.45Å; L249-L524 HydrophobicContact CB-CB 4.35Å; L249-L524 HydrophobicContact CD2-CD1 4.44Å; L249-L524 PolarHBondContact N-O 2.95Å; L249-L524 PolarHBondContact O-N 3.22Å; I265-L524 HydrophobicContact CD1-CD1 4.3Å; I265-L524 HydrophobicContact CG2-CD1 4.48Å; I265-L524 HydrophobicContact CG2-CD2 4.5Å; M268-L524 HydrophobicContact CE-CD1 3.43Å; M268-L524 VanDerWaalsContact CE-CD1 3.43Å; L470-L524 HydrophobicContact CD2-CD2 4.13Å; V477-L524 WeakPolarHBondContact O-CA 3.27Å; I522-L524 HydrophobicContact CD1-CD2 3.89Å; I522-L524 HydrophobicContact CG1-CD2 4.19Å; L524-L526 PolarHBondContact O-N 2.82Å
525	G	97.3	Very high	97.1	Very high	15 Å²	15	20.5 Å²	20.5	16%	0.155	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	89.5	173.7	0	0	0	0	0	110.8	V477 D527 R528 L529	V477-G525 PolarHBondContact O-N 3.46Å; G525-D527 VanDerWaalsContact C-N 3.29Å; G525-D527 PolarHBondContact O-N 3.33Å; G525-R528 PolarHBondContact O-N 3.46Å; G525-R528 VanDerWaalsContact O-N 3.07Å; G525-L529 WeakPolarHBondContact O-CB 3.37Å; G525-L529 PolarHBondContact O-N 2.92Å
526	L	98.1	Very high	97	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-59.4	-39	-173.4	-70.2	179	0	0	0	112.7	I162 M165 V229 T247 L249 L524 R528 L529 I530	I162-L526 HydrophobicContact CD1-CD1 4.19Å; I162-L526 HydrophobicContact CG1-CD1 4.12Å; M165-L526 HydrophobicContact CE-CD2 3.99Å; M165-L526 HydrophobicContact SD-CD2 3.56Å; M165-L526 VanDerWaalsContact SD-CD2 3.56Å; V229-L526 HydrophobicContact CG1-CD1 3.83Å; T247-L526 HydrophobicContact CG2-CD1 4.04Å; T247-L526 PolarHBondContact O-N 3.43Å; T247-L526 VanDerWaalsContact O-N 3.1Å; L249-L526 HydrophobicContact CB-CD1 3.98Å; L249-L526 HydrophobicContact CB-CD2 3.84Å; L249-L526 HydrophobicContact CB-CG 3.88Å; L524-L526 PolarHBondContact O-N 2.82Å; L526-R528 VanDerWaalsContact C-N 3.31Å; L526-R528 PolarHBondContact O-N 3.4Å; L526-L529 PolarHBondContact O-N 3.47Å; L526-I530 WeakPolarHBondContact O-CB 3.19Å; L526-I530 WeakPolarHBondContact O-CG1 3.25Å; L526-I530 PolarHBondContact O-N 3.03Å
527	D	97.4	Very high	96.7	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-44.2	177	-59.5	-28.1	0	0	0	111.4	R158 F246 T247 G525 A531 I539 V542 I543	R158-D527 IonicContact CZ-OD1 2.6Å; R158-D527 IonicContact NH1-OD1 2.74Å; R158-D527 PolarHBondContact NH1-OD1 2.92Å; R158-D527 IonicContact NH2-OD1 2.59Å; R158-D527 PolarHBondContact NH2-OD1 2.9Å; F246-D527 VanDerWaalsContact CA-OD2 3.23Å; F246-D527 WeakPolarHBondContact CA-OD2 3.2Å; F246-D527 VanDerWaalsContact CB-OD2 3.29Å; F246-D527 WeakPolarHBondContact CB-OD2 3.43Å; T247-D527 PolarHBondContact N-OD2 3.15Å; G525-D527 VanDerWaalsContact C-N 3.29Å; G525-D527 PolarHBondContact O-N 3.33Å; D527-A531 VanDerWaalsContact O-CB 3.25Å; D527-A531 WeakPolarHBondContact O-CB 3.34Å; D527-A531 PolarHBondContact O-N 2.75Å; D527-I539 HydrophobicContact CB-CB 4.36Å; D527-I539 HydrophobicContact CB-CD1 4.4Å; D527-V542 VanDerWaalsContact O-CG2 3.28Å; D527-V542 WeakPolarHBondContact O-CG2 3.34Å; D527-I543 HydrophobicContact CB-CD1 4.15Å; D527-I543 HydrophobicContact CB-CG1 4.41Å
528	R	95.8	Very high	96.5	Very high	52 Å²	52	27.3 Å²	27.3	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-69.6	-46.5	178.3	-176.5	176.7	-66.5	159.5	2.3	111.7	D241 E476 G525 L526 I530 A531 I532 I539	D241-R528 PolarHBondContact O-NH2 3.44Å; D241-R528 IonicContact OD2-NH2 2.87Å; E476-R528 WeakPolarHBondContact O-CD 3.31Å; E476-R528 PolarHBondContact O-NH1 3.44Å; G525-R528 PolarHBondContact O-N 3.46Å; G525-R528 VanDerWaalsContact O-N 3.07Å; L526-R528 VanDerWaalsContact C-N 3.31Å; L526-R528 PolarHBondContact O-N 3.4Å; R528-I530 PolarHBondContact O-N 2.98Å; R528-A531 PolarHBondContact O-N 2.93Å; R528-I532 HydrophobicContact CG-CD1 3.84Å; R528-I532 WeakPolarHBondContact O-CG1 3.24Å; R528-I532 PolarHBondContact O-N 3.27Å; R528-I539 HydrophobicContact CB-CG2 4.48Å
529	L	97.2	Very high	96.3	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-59.1	-47	-179.5	-174.7	67.7	0	0	0	111.2	M165 L269 F421 V477 G525 L526 I532 F533	M165-L529 HydrophobicContact CE-CD2 3.74Å; L269-L529 HydrophobicContact CD2-CD2 4.42Å; F421-L529 HydrophobicContact CE1-CD1 4.31Å; F421-L529 HydrophobicContact CZ-CD1 4.47Å; V477-L529 HydrophobicContact CB-CD1 4.11Å; V477-L529 HydrophobicContact CG1-CD1 4.26Å; V477-L529 HydrophobicContact CG2-CD1 4.29Å; G525-L529 WeakPolarHBondContact O-CB 3.37Å; G525-L529 PolarHBondContact O-N 2.92Å; L526-L529 PolarHBondContact O-N 3.47Å; L529-I532 PolarHBondContact O-N 3.12Å; L529-F533 HydrophobicContact CD1-CE1 3.77Å; L529-F533 HydrophobicContact CD1-CE2 4.13Å; L529-F533 HydrophobicContact CD1-CZ 3.51Å; L529-F533 HydrophobicContact CD2-CE2 4.07Å; L529-F533 HydrophobicContact CD2-CZ 4.1Å; L529-F533 HydrophobicContact CG-CD2 4.36Å; L529-F533 HydrophobicContact CG-CE1 4.22Å; L529-F533 HydrophobicContact CG-CE2 3.7Å; L529-F533 HydrophobicContact CG-CZ 3.63Å; L529-F533 VanDerWaalsContact O-CG 3.29Å; L529-F533 WeakPolarHBondContact O-CG 3.22Å; L529-F533 PolarHBondContact O-N 2.99Å
530	I	97.7	Very high	96.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-41.1	177.4	-62.2	-64.3	0	0	0	111.2	F157 R158 I161 L526 R528 I532 F533 V534 V542	F157-I530 HydrophobicContact CD1-CD1 4.41Å; F157-I530 HydrophobicContact CD1-CG2 4.04Å; F157-I530 HydrophobicContact CE1-CD1 4.14Å; F157-I530 HydrophobicContact CE1-CG2 4.35Å; R158-I530 HydrophobicContact CB-CG2 4.12Å; R158-I530 HydrophobicContact CG-CG1 4.32Å; I161-I530 HydrophobicContact CB-CD1 3.73Å; I161-I530 HydrophobicContact CG1-CD1 3.9Å; I161-I530 HydrophobicContact CG2-CD1 3.65Å; L526-I530 WeakPolarHBondContact O-CB 3.19Å; L526-I530 WeakPolarHBondContact O-CG1 3.25Å; L526-I530 PolarHBondContact O-N 3.03Å; R528-I530 PolarHBondContact O-N 2.98Å; I530-I532 VanDerWaalsContact C-N 3.31Å; I530-I532 PolarHBondContact O-N 3.2Å; I530-F533 HydrophobicContact CD1-CD2 4.25Å; I530-F533 PolarHBondContact O-N 3.3Å; I530-V534 HydrophobicContact CG2-CG1 4.5Å; I530-V534 WeakPolarHBondContact O-CG2 3.38Å; I530-V534 PolarHBondContact O-N 3.29Å; I530-V542 HydrophobicContact CB-CB 4.49Å; I530-V542 HydrophobicContact CB-CG2 4.45Å; I530-V542 HydrophobicContact CG2-CB 3.94Å; I530-V542 HydrophobicContact CG2-CG1 3.86Å; I530-V542 HydrophobicContact CG2-CG2 4.42Å
531	A	96.3	Very high	96	Very high	6 Å²	6	26.2 Å²	26.2	5%	0.05	14%	0.136	C	C	.	.	H	α-helix	trans	-60.7	-40.1	176.3	0	0	0	0	0	112.4	D527 R528 N535 A536 I539 V542	D527-A531 VanDerWaalsContact O-CB 3.25Å; D527-A531 WeakPolarHBondContact O-CB 3.34Å; D527-A531 PolarHBondContact O-N 2.75Å; R528-A531 PolarHBondContact O-N 2.93Å; A531-N535 WeakPolarHBondContact O-CA 3.44Å; A531-N535 PolarHBondContact O-N 3.32Å; A531-N535 VanDerWaalsContact O-N 3.08Å; A531-A536 HydrophobicContact CB-CB 4.07Å; A531-A536 PolarHBondContact O-N 3.22Å; A531-I539 HydrophobicContact CB-CB 4.4Å; A531-I539 HydrophobicContact CB-CG2 3.78Å; A531-V542 HydrophobicContact CB-CG1 4.27Å; A531-V542 HydrophobicContact CB-CG2 4.1Å
532	I	95.3	Very high	96	Very high	19 Å²	19	26.2 Å²	26.2	10%	0.097	14%	0.136	C	C	.	.	H	α-helix	trans	-63.1	-48.2	174	-72.8	164.7	0	0	0	110.4	F419 Q475 V477 R528 L529 I530 V534 N535	F419-I532 HydrophobicContact CD1-CG2 4.03Å; F419-I532 HydrophobicContact CE1-CG2 3.77Å; Q475-I532 HydrophobicContact CB-CD1 3.93Å; V477-I532 HydrophobicContact CG1-CD1 3.35Å; R528-I532 HydrophobicContact CG-CD1 3.84Å; R528-I532 WeakPolarHBondContact O-CG1 3.24Å; R528-I532 PolarHBondContact O-N 3.27Å; L529-I532 PolarHBondContact O-N 3.12Å; I530-I532 VanDerWaalsContact C-N 3.31Å; I530-I532 PolarHBondContact O-N 3.2Å; I532-V534 PolarHBondContact O-N 3.16Å; I532-N535 PolarHBondContact O-N 3.15Å; I532-N535 VanDerWaalsContact O-N 3.13Å
533	F	96.1	Very high	95.9	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.022	14%	0.14	C	C	.	.	H	α-helix	trans	-56.4	-50.7	178.4	-68.2	-15.8	0	0	0	112.1	F157 L269 I272 W273 V276 L280 F419 F421 L529 I530 N535	F157-F533 HydrophobicContact CE1-CB 3.78Å; F157-F533 HydrophobicContact CE1-CD2 4.09Å; F157-F533 HydrophobicContact CE1-CG 4.45Å; F157-F533 HydrophobicContact CZ-CB 4.13Å; F157-F533 HydrophobicContact CZ-CD2 4.17Å; L269-F533 HydrophobicContact CD2-CZ 4.31Å; I272-F533 HydrophobicContact CD1-CE2 4.15Å; W273-F533 HydrophobicContact CH2-CE1 4.3Å; W273-F533 AromaticContact CZ3-CE1 3.89Å; W273-F533 HydrophobicContact CZ3-CE1 3.89Å; W273-F533 HydrophobicContact CZ3-CZ 4.05Å; V276-F533 HydrophobicContact CG1-CG 4.43Å; V276-F533 HydrophobicContact CG2-CD2 4.27Å; V276-F533 HydrophobicContact CG2-CE2 4.21Å; L280-F533 HydrophobicContact CD1-CB 4.06Å; L280-F533 WeakPolarHBondContact CD1-O 3.41Å; F419-F533 HydrophobicContact CD1-CD1 4.23Å; F419-F533 AromaticContact CE1-CD1 3.86Å; F419-F533 HydrophobicContact CE1-CD1 3.86Å; F419-F533 HydrophobicContact CZ-CD1 4.18Å; F421-F533 AromaticContact CZ-CE1 3.89Å; F421-F533 HydrophobicContact CZ-CE1 3.89Å; F421-F533 HydrophobicContact CZ-CZ 4.23Å; L529-F533 HydrophobicContact CD1-CE1 3.77Å; L529-F533 HydrophobicContact CD1-CE2 4.13Å; L529-F533 HydrophobicContact CD1-CZ 3.51Å; L529-F533 HydrophobicContact CD2-CE2 4.07Å; L529-F533 HydrophobicContact CD2-CZ 4.1Å; L529-F533 HydrophobicContact CG-CD2 4.36Å; L529-F533 HydrophobicContact CG-CE1 4.22Å; L529-F533 HydrophobicContact CG-CE2 3.7Å; L529-F533 HydrophobicContact CG-CZ 3.63Å; L529-F533 VanDerWaalsContact O-CG 3.29Å; L529-F533 WeakPolarHBondContact O-CG 3.22Å; L529-F533 PolarHBondContact O-N 2.99Å; I530-F533 HydrophobicContact CD1-CD2 4.25Å; I530-F533 PolarHBondContact O-N 3.3Å; F533-N535 PolarHBondContact O-N 3.28Å
534	V	95.2	Very high	95.9	Very high	24 Å²	24	28 Å²	28	15%	0.145	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	6.5	-178.3	-52	0	0	0	0	113.8	F157 L280 I530 I532 A536 V542	F157-V534 HydrophobicContact CD1-CG1 3.38Å; F157-V534 HydrophobicContact CE1-CG1 3.7Å; F157-V534 HydrophobicContact CG-CG1 4.21Å; L280-V534 HydrophobicContact CD2-CG1 4.38Å; I530-V534 HydrophobicContact CG2-CG1 4.5Å; I530-V534 WeakPolarHBondContact O-CG2 3.38Å; I530-V534 PolarHBondContact O-N 3.29Å; I532-V534 PolarHBondContact O-N 3.16Å; V534-A536 HydrophobicContact CG2-CB 3.79Å; V534-A536 PolarHBondContact O-N 2.95Å; V534-V542 HydrophobicContact CG2-CG1 3.73Å
535	N	93.2	Very high	95.8	Very high	148 Å²	148	33.5 Å²	33.5	79%	0.791	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	43.7	-174.4	-166.6	28.7	0	0	0	113	A531 I532 F533	A531-N535 WeakPolarHBondContact O-CA 3.44Å; A531-N535 PolarHBondContact O-N 3.32Å; A531-N535 VanDerWaalsContact O-N 3.08Å; I532-N535 PolarHBondContact O-N 3.15Å; I532-N535 VanDerWaalsContact O-N 3.13Å; F533-N535 PolarHBondContact O-N 3.28Å
536	A	94.1	Very high	95.7	Very high	25 Å²	25	33.2 Å²	33.2	21%	0.207	17%	0.169	C	C	.	.			trans	-73.5	138.7	177.8	0	0	0	0	0	111.2	A531 V534 S538 D541 V542	A531-A536 HydrophobicContact CB-CB 4.07Å; A531-A536 PolarHBondContact O-N 3.22Å; V534-A536 HydrophobicContact CG2-CB 3.79Å; V534-A536 PolarHBondContact O-N 2.95Å; A536-S538 PolarHBondContact O-N 3.26Å; A536-D541 HydrophobicContact CB-CB 4.05Å; A536-V542 HydrophobicContact CB-CG1 4.27Å
537	K	90.9	Very high	95.5	Very high	198 Å²	198	34.9 Å²	34.9	86%	0.861	18%	0.176	S	C	*	.	S	Bend	trans	-65.6	-23.6	176.1	-65.9	-176.7	178.9	-179.2	0	113.1
538	S	93.2	Very high	95.2	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.063	18%	0.176	C	C	.	.	S	Bend	trans	-149.1	143	-176.2	176.2	0	0	0	0	109.3	S240 A536 R540 D541	S240-S538 WeakPolarHBondContact O-CA 3.43Å; A536-S538 PolarHBondContact O-N 3.26Å; S538-R540 PolarHBondContact O-N 3.26Å; S538-R540 WeakPolarHBondContact OG-CB 3.24Å; S538-R540 WeakPolarHBondContact OG-CG 3.46Å; S538-R540 PolarHBondContact OG-N 3.23Å; S538-R540 PolarHBondContact OG-NH1 3.12Å; S538-D541 PolarHBondContact O-N 2.99Å
539	I	94.6	Very high	94.9	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.056	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-61.8	-16.8	172.7	64.3	169	0	0	0	112	S240 Q243 D527 R528 A531 D541 V542 I543	S240-I539 PolarHBondContact O-N 3.33Å; Q243-I539 HydrophobicContact CB-CD1 4.14Å; Q243-I539 HydrophobicContact CG-CD1 3.62Å; Q243-I539 HydrophobicContact CG-CG1 3.97Å; D527-I539 HydrophobicContact CB-CB 4.36Å; D527-I539 HydrophobicContact CB-CD1 4.4Å; R528-I539 HydrophobicContact CB-CG2 4.48Å; A531-I539 HydrophobicContact CB-CB 4.4Å; A531-I539 HydrophobicContact CB-CG2 3.78Å; I539-D541 PolarHBondContact O-N 2.59Å; I539-V542 WeakPolarHBondContact O-CG2 3.27Å; I539-V542 PolarHBondContact O-N 3.48Å; I539-I543 WeakPolarHBondContact O-CD1 3.31Å; I539-I543 WeakPolarHBondContact O-CG1 3.4Å
540	R	95.3	Very high	94.4	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.023	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-61.5	-28.1	171.4	-60.3	-167.8	-165.3	77.7	17.5	112.6	E135 R142 S238 R239 S538 V542 I543 P546 K547	E135-R540 WeakPolarHBondContact OE1-CD 3.32Å; E135-R540 IonicContact OE1-CZ 3.43Å; E135-R540 IonicContact OE1-NE 3.73Å; E135-R540 IonicContact OE1-NH1 2.7Å; E135-R540 PolarHBondContact OE1-NH1 3.17Å; E135-R540 IonicContact OE2-NH1 3.34Å; R142-R540 PolarHBondContact NH2-O 3.4Å; S238-R540 PolarHBondContact OG-NH2 2.87Å; R239-R540 PolarHBondContact O-NH2 3.26Å; R239-R540 VanDerWaalsContact O-NH2 3.09Å; S538-R540 PolarHBondContact O-N 3.26Å; S538-R540 WeakPolarHBondContact OG-CB 3.24Å; S538-R540 WeakPolarHBondContact OG-CG 3.46Å; S538-R540 PolarHBondContact OG-N 3.23Å; S538-R540 PolarHBondContact OG-NH1 3.12Å; R540-V542 PolarHBondContact O-N 2.95Å; R540-I543 PolarHBondContact O-N 3.14Å; R540-P546 HydrophobicContact CB-CB 3.99Å; R540-P546 HydrophobicContact CB-CG 3.65Å; R540-P546 HydrophobicContact CG-CB 3.78Å; R540-P546 HydrophobicContact CG-CG 3.93Å; R540-K547 VanDerWaalsContact CD-O 3.32Å; R540-K547 WeakPolarHBondContact CD-O 3.27Å; R540-K547 PolarHBondContact NE-O 3.46Å
541	D	95.9	Very high	94	Very high	15 Å²	15	40 Å²	40	8%	0.08	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-76.9	1.1	178.8	-71.4	-37.5	0	0	0	113.4	R138 M151 N154 A536 S538 I539	R138-D541 IonicContact CZ-OD1 3.67Å; R138-D541 IonicContact NH1-OD1 3.29Å; R138-D541 PolarHBondContact NH1-OD1 3.46Å; R138-D541 IonicContact NH2-OD1 2.82Å; R138-D541 PolarHBondContact NH2-OD1 2.87Å; M151-D541 WeakPolarHBondContact CE-O 3.23Å; M151-D541 HydrophobicContact SD-CB 4.24Å; N154-D541 WeakPolarHBondContact CB-O 3.47Å; N154-D541 PolarHBondContact ND2-O 3.04Å; A536-D541 HydrophobicContact CB-CB 4.05Å; S538-D541 PolarHBondContact O-N 2.99Å; I539-D541 PolarHBondContact O-N 2.59Å
542	V	97.2	Very high	93.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-124.5	7.3	175.7	-53.7	0	0	0	0	113.3	N154 R158 D527 I530 A531 V534 A536 I539 R540	N154-V542 HydrophobicContact CB-CG1 4.27Å; R158-V542 WeakPolarHBondContact CD-O 3.4Å; R158-V542 PolarHBondContact NH1-O 3.23Å; D527-V542 VanDerWaalsContact O-CG2 3.28Å; D527-V542 WeakPolarHBondContact O-CG2 3.34Å; I530-V542 HydrophobicContact CB-CB 4.49Å; I530-V542 HydrophobicContact CB-CG2 4.45Å; I530-V542 HydrophobicContact CG2-CB 3.94Å; I530-V542 HydrophobicContact CG2-CG1 3.86Å; I530-V542 HydrophobicContact CG2-CG2 4.42Å; A531-V542 HydrophobicContact CB-CG1 4.27Å; A531-V542 HydrophobicContact CB-CG2 4.1Å; V534-V542 HydrophobicContact CG2-CG1 3.73Å; A536-V542 HydrophobicContact CB-CG1 4.27Å; I539-V542 WeakPolarHBondContact O-CG2 3.27Å; I539-V542 PolarHBondContact O-N 3.48Å; R540-V542 PolarHBondContact O-N 2.95Å
543	I	97.4	Very high	93.7	Very high	14 Å²	14	44.3 Å²	44.3	7%	0.072	24%	0.239	C	C	.	.	S	Bend	trans	-116.1	135	177.1	-64.1	166.8	0	0	0	107.9	R142 Q243 D527 I539 R540 P546	R142-I543 PolarHBondContact NH2-O 3.05Å; Q243-I543 HydrophobicContact CG-CD1 3.8Å; D527-I543 HydrophobicContact CB-CD1 4.15Å; D527-I543 HydrophobicContact CB-CG1 4.41Å; I539-I543 WeakPolarHBondContact O-CD1 3.31Å; I539-I543 WeakPolarHBondContact O-CG1 3.4Å; R540-I543 PolarHBondContact O-N 3.14Å; I543-P546 HydrophobicContact CB-CB 4.08Å; I543-P546 HydrophobicContact CB-CG 4.45Å; I543-P546 HydrophobicContact CD1-CB 4.5Å; I543-P546 HydrophobicContact CG2-CB 3.91Å; I543-P546 HydrophobicContact CG2-CG 4.48Å
544	A	96.9	Very high	93.6	Very high	35 Å²	35	46.4 Å²	46.4	29%	0.289	25%	0.25	S	C	.	.	S	Bend	trans	-62.9	-49.5	-176.5	0	0	0	0	0	112.4	R142 I155	R142-A544 VanDerWaalsContact CG-O 3.29Å; R142-A544 WeakPolarHBondContact CG-O 3.3Å; R142-A544 PolarHBondContact NE-O 3.27Å; I155-A544 HydrophobicContact CD1-CB 4.45Å
545	F	96.6	Very high	93.7	Very high	115 Å²	115	48 Å²	48	50%	0.504	26%	0.257	S	S	.	.	S	Bend	trans	-131.6	74	-176	-55.5	-74.2	0	0	0	111.4	R142 L146 L555	R142-F545 HydrophobicContact CG-CD1 4.08Å; R142-F545 HydrophobicContact CG-CE1 4.45Å; L146-F545 HydrophobicContact CD1-CD1 4.43Å; L146-F545 HydrophobicContact CD1-CE1 3.71Å; L146-F545 HydrophobicContact CD1-CZ 3.8Å; F545-L555 HydrophobicContact CD1-CD2 3.9Å; F545-L555 HydrophobicContact CE1-CD2 4.08Å
546	P	95.5	Very high	93.8	Very high	10 Å²	10	45 Å²	45	7%	0.065	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-81.4	164.7	-179.2	32.9	-32	0	0	0	112.1	L139 R540 I543	L139-P546 HydrophobicContact CD2-CG 3.7Å; R540-P546 HydrophobicContact CB-CB 3.99Å; R540-P546 HydrophobicContact CB-CG 3.65Å; R540-P546 HydrophobicContact CG-CB 3.78Å; R540-P546 HydrophobicContact CG-CG 3.93Å; I543-P546 HydrophobicContact CB-CB 4.08Å; I543-P546 HydrophobicContact CB-CG 4.45Å; I543-P546 HydrophobicContact CD1-CB 4.5Å; I543-P546 HydrophobicContact CG2-CB 3.91Å; I543-P546 HydrophobicContact CG2-CG 4.48Å
547	K	93.6	Very high	93.8	Very high	35 Å²	35	46 Å²	46	15%	0.152	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-84.9	148.8	169.3	-58.8	-65.6	176.4	-98.9	0	110.9	Q243 P244 R540 K552 D553	Q243-K547 PolarHBondContact NE2-O 3.2Å; Q243-K547 PolarHBondContact OE1-O 3.41Å; P244-K547 HydrophobicContact CG-CB 4.04Å; P244-K547 HydrophobicContact CG-CG 3.97Å; R540-K547 VanDerWaalsContact CD-O 3.32Å; R540-K547 WeakPolarHBondContact CD-O 3.27Å; R540-K547 PolarHBondContact NE-O 3.46Å; K547-K552 CarbonylContact C-O 3.59Å; K547-K552 WeakPolarHBondContact CA-O 3.17Å; K547-D553 HydrophobicContact CD-CB 3.8Å; K547-D553 IonicContact NZ-OD2 3.83Å; K547-D553 PolarHBondContact NZ-OD2 2.59Å
548	A	92.4	Very high	93.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-66.6	173.6	173	0	0	0	0	0	111.7	M136 L139 S238 D550 G551 K552 L554	M136-A548 HydrophobicContact SD-CB 4.28Å; L139-A548 HydrophobicContact CD1-CB 4.04Å; S238-A548 VanDerWaalsContact CB-O 3.29Å; S238-A548 WeakPolarHBondContact CB-O 3.39Å; A548-D550 PolarHBondContact O-N 3.33Å; A548-G551 PolarHBondContact O-N 2.74Å; A548-K552 PolarHBondContact N-O 2.96Å; A548-L554 HydrophobicContact CB-CD1 4.05Å; A548-L554 HydrophobicContact CB-CD2 4.48Å; A548-L554 HydrophobicContact CB-CG 4.04Å
549	A	88.1	Confident	93.9	Very high	53 Å²	53	43.5 Å²	43.5	44%	0.438	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.9	-178.3	0	0	0	0	0	113.3	S238 G551	S238-A549 WeakPolarHBondContact CB-O 3.31Å; S238-A549 PolarHBondContact N-O 3.41Å; S238-A549 VanDerWaalsContact O-O 3.06Å; A549-G551 PolarHBondContact O-N 3.04Å
550	D	87	Confident	93.8	Very high	85 Å²	85	47.7 Å²	47.7	46%	0.455	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	8.7	175.5	72.7	-22.2	0	0	0	113.7	A548 K552	A548-D550 PolarHBondContact O-N 3.33Å; D550-K552 VanDerWaalsContact C-N 3.29Å; D550-K552 PolarHBondContact O-N 2.75Å; D550-K552 WeakPolarHBondContact OD1-CB 3.5Å; D550-K552 PolarHBondContact OD1-N 2.93Å; D550-K552 WeakPolarHBondContact OD2-CD 3.48Å; D550-K552 VanDerWaalsContact OD2-CE 3.25Å; D550-K552 WeakPolarHBondContact OD2-CE 3.42Å; D550-K552 WeakPolarHBondContact OD2-CG 3.3Å; D550-K552 IonicContact OD2-NZ 2.59Å; D550-K552 PolarHBondContact OD2-NZ 3.3Å
551	G	88.4	Confident	93.5	Very high	25 Å²	25	56.1 Å²	56.1	26%	0.258	33%	0.331	S	S	.	.	S	Bend	trans	81.3	0.8	178.8	0	0	0	0	0	114.7	A548 A549	A548-G551 PolarHBondContact O-N 2.74Å; A549-G551 PolarHBondContact O-N 3.04Å
552	K	91.7	Very high	93.3	Very high	100 Å²	100	58.9 Å²	58.9	44%	0.435	35%	0.348	S	S	.	.			trans	-90.4	154.5	-176.9	-59.3	-173.2	-167.6	134.1	0	113.5	K547 A548 D550 T558	K547-K552 CarbonylContact C-O 3.59Å; K547-K552 WeakPolarHBondContact CA-O 3.17Å; A548-K552 PolarHBondContact N-O 2.96Å; D550-K552 VanDerWaalsContact C-N 3.29Å; D550-K552 PolarHBondContact O-N 2.75Å; D550-K552 WeakPolarHBondContact OD1-CB 3.5Å; D550-K552 PolarHBondContact OD1-N 2.93Å; D550-K552 WeakPolarHBondContact OD2-CD 3.48Å; D550-K552 VanDerWaalsContact OD2-CE 3.25Å; D550-K552 WeakPolarHBondContact OD2-CE 3.42Å; D550-K552 WeakPolarHBondContact OD2-CG 3.3Å; D550-K552 IonicContact OD2-NZ 2.59Å; D550-K552 PolarHBondContact OD2-NZ 3.3Å; K552-T558 CarbonylContact C-O 3.58Å; K552-T558 WeakPolarHBondContact CA-O 3.43Å; K552-T558 WeakPolarHBondContact CB-O 3.49Å
553	D	94.2	Very high	93.1	Very high	17 Å²	17	64.6 Å²	64.6	9%	0.091	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-92.6	109.4	168.2	-164.5	-41.9	0	0	0	109.8	K547 L555 C556 G557 T558	K547-D553 HydrophobicContact CD-CB 3.8Å; K547-D553 IonicContact NZ-OD2 3.83Å; K547-D553 PolarHBondContact NZ-OD2 2.59Å; D553-L555 VanDerWaalsContact C-N 3.31Å; D553-L555 WeakPolarHBondContact OD1-CB 3.39Å; D553-L555 PolarHBondContact OD1-N 3.08Å; D553-C556 PolarHBondContact OD1-N 2.83Å; D553-G557 CarbonylContact O-C 3.56Å; D553-G557 WeakPolarHBondContact O-CA 3.44Å; D553-G557 PolarHBondContact O-N 2.69Å; D553-T558 WeakPolarHBondContact CB-OG1 3.22Å; D553-T558 PolarHBondContact N-O 3.2Å; D553-T558 PolarHBondContact O-N 3.29Å
554	L	95.3	Very high	92.9	Very high	49 Å²	49	70 Å²	70	26%	0.257	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-18	-179.5	-57.5	-179.4	0	0	0	113.3	M136 L139 K140 A548	M136-L554 HydrophobicContact CB-CD1 4.15Å; M136-L554 HydrophobicContact CE-CD1 3.35Å; M136-L554 HydrophobicContact CE-CD2 4.02Å; M136-L554 HydrophobicContact CE-CG 4.28Å; M136-L554 WeakPolarHBondContact O-CD1 3.42Å; M136-L554 HydrophobicContact SD-CD1 3.68Å; L139-L554 HydrophobicContact CB-CB 4.42Å; L139-L554 HydrophobicContact CB-CD1 3.96Å; L139-L554 HydrophobicContact CD1-CD1 4.46Å; K140-L554 HydrophobicContact CB-CB 4.21Å; A548-L554 HydrophobicContact CB-CD1 4.05Å; A548-L554 HydrophobicContact CB-CD2 4.48Å; A548-L554 HydrophobicContact CB-CG 4.04Å
555	L	96.5	Very high	92.7	Very high	57 Å²	57	76 Å²	76	30%	0.298	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-51.5	178.1	173.1	66.9	0	0	0	109.9	K140 R142 Y143 F545 D553	K140-L555 WeakPolarHBondContact O-CD1 3.37Å; R142-L555 HydrophobicContact CB-CD2 4.45Å; Y143-L555 HydrophobicContact CD1-CD1 3.53Å; Y143-L555 HydrophobicContact CE1-CD1 3.62Å; F545-L555 HydrophobicContact CD1-CD2 3.9Å; F545-L555 HydrophobicContact CE1-CD2 4.08Å; D553-L555 VanDerWaalsContact C-N 3.31Å; D553-L555 WeakPolarHBondContact OD1-CB 3.39Å; D553-L555 PolarHBondContact OD1-N 3.08Å
556	C	95	Very high	92.6	Very high	85 Å²	85	73.9 Å²	73.9	57%	0.574	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-10.6	-175.7	-62.4	0	0	0	0	113.4	D553 T558	D553-C556 PolarHBondContact OD1-N 2.83Å; C556-T558 HydrophobicContact CB-CG2 4.01Å
557	G	94.5	Very high	92.5	Very high	47 Å²	47	74.4 Å²	74.4	49%	0.485	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	31.9	-176.6	0	0	0	0	0	113.6	D553 T560	D553-G557 CarbonylContact O-C 3.56Å; D553-G557 WeakPolarHBondContact O-CA 3.44Å; D553-G557 PolarHBondContact O-N 2.69Å; G557-T560 WeakPolarHBondContact O-CG2 3.49Å
558	T	93.2	Very high	92.4	Very high	46 Å²	46	76.8 Å²	76.8	28%	0.282	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-97.4	151.1	-179.7	67.4	0	0	0	0	112.1	K552 D553 C556 T560	K552-T558 CarbonylContact C-O 3.58Å; K552-T558 WeakPolarHBondContact CA-O 3.43Å; K552-T558 WeakPolarHBondContact CB-O 3.49Å; D553-T558 WeakPolarHBondContact CB-OG1 3.22Å; D553-T558 PolarHBondContact N-O 3.2Å; D553-T558 PolarHBondContact O-N 3.29Å; C556-T558 HydrophobicContact CB-CG2 4.01Å; T558-T560 HydrophobicContact CG2-CG2 4.23Å
559	P	92	Very high	92.5	Very high	107 Å²	107	81 Å²	81	70%	0.695	47%	0.465	S	S	*	.	S	Bend	cis	-67.3	151	-0.5	30.9	-35.8	0	0	0	112.8
560	T	92.4	Very high	92.8	Very high	99 Å²	99	81.7 Å²	81.7	61%	0.607	46%	0.458	S	S	*	.			trans	-112.9	163.9	178.7	57	0	0	0	0	111	G557 T558	G557-T560 WeakPolarHBondContact O-CG2 3.49Å; T558-T560 HydrophobicContact CG2-CG2 4.23Å
561	M	90.8	Very high	93	Very high	184 Å²	184	81.7 Å²	81.7	91%	0.906	46%	0.463	S	S	*	.			trans	-66.4	152.1	164.1	-63.3	-172.6	74.1	0	0	109.9
562	V	90.7	Very high	93.2	Very high	73 Å²	73	82.6 Å²	82.6	44%	0.442	46%	0.462	S	S	.	.			trans	-114.2	146.5	172.2	-68.6	0	0	0	0	108.7	I566 L567	V562-I566 HydrophobicContact CB-CG2 4.45Å; V562-L567 HydrophobicContact CG2-CD1 4.41Å; V562-L567 HydrophobicContact CG2-CD2 3.56Å; V562-L567 HydrophobicContact CG2-CG 3.81Å
563	D	93.1	Very high	93	Very high	119 Å²	119	83.3 Å²	83.3	64%	0.636	48%	0.479	S	S	*	.			trans	-69	153.4	-178.1	-61.2	-28.9	0	0	0	111.8	E565 I566 L567	D563-E565 PolarHBondContact O-N 3.39Å; D563-E565 VanDerWaalsContact O-N 3.15Å; D563-I566 WeakPolarHBondContact O-CB 3.49Å; D563-I566 PolarHBondContact O-N 3.06Å; D563-L567 PolarHBondContact O-N 3.09Å; D563-L567 VanDerWaalsContact O-N 3.12Å
564	D	92.2	Very high	92.7	Very high	128 Å²	128	87.1 Å²	87.1	68%	0.684	50%	0.503	S	S	*	.	H	α-helix	trans	-59.6	-27.5	-178.6	-70.4	-28.7	0	0	0	113.2	L567 S568	D564-L567 PolarHBondContact O-N 3.39Å; D564-S568 VanDerWaalsContact O-CB 3.3Å; D564-S568 WeakPolarHBondContact O-CB 3.22Å; D564-S568 PolarHBondContact O-N 2.89Å; D564-S568 PolarHBondContact O-OG 3.4Å
565	E	94.3	Very high	92.2	Very high	161 Å²	161	88.8 Å²	88.8	75%	0.752	52%	0.519	S	S	*	.	H	α-helix	trans	-64.5	-43.4	174.2	-175.2	178	-177.9	0	0	111.5	D563 S568 Q569	D563-E565 PolarHBondContact O-N 3.39Å; D563-E565 VanDerWaalsContact O-N 3.15Å; E565-S568 PolarHBondContact O-N 3.39Å; E565-Q569 PolarHBondContact O-N 3.16Å
566	I	93.1	Very high	91	Very high	70 Å²	70	92.4 Å²	92.4	36%	0.359	54%	0.538	S	S	.	.	H	α-helix	trans	-67	-43.4	177.2	-62.1	178	0	0	0	109.8	V562 D563 S568 Q569 Y570	V562-I566 HydrophobicContact CB-CG2 4.45Å; D563-I566 WeakPolarHBondContact O-CB 3.49Å; D563-I566 PolarHBondContact O-N 3.06Å; I566-S568 VanDerWaalsContact C-N 3.32Å; I566-S568 PolarHBondContact O-N 3.12Å; I566-Q569 WeakPolarHBondContact O-CB 3.34Å; I566-Q569 PolarHBondContact O-N 2.74Å; I566-Y570 HydrophobicContact CG2-CD2 3.81Å; I566-Y570 HydrophobicContact CG2-CE2 3.62Å; I566-Y570 WeakPolarHBondContact O-CD2 3.41Å; I566-Y570 PolarHBondContact O-N 2.74Å
567	L	93.4	Very high	89.2	Confident	21 Å²	21	95.7 Å²	95.7	11%	0.11	55%	0.545	C	S	.	.	H	α-helix	trans	-58.8	-45	175.3	-69	174.3	0	0	0	111.4	V562 D563 D564 Q569 Y570 C571 I572 V574	V562-L567 HydrophobicContact CG2-CD1 4.41Å; V562-L567 HydrophobicContact CG2-CD2 3.56Å; V562-L567 HydrophobicContact CG2-CG 3.81Å; D563-L567 PolarHBondContact O-N 3.09Å; D563-L567 VanDerWaalsContact O-N 3.12Å; D564-L567 PolarHBondContact O-N 3.39Å; L567-Q569 PolarHBondContact O-N 3.43Å; L567-Y570 CarbonylContact O-C 3.51Å; L567-Y570 PolarHBondContact O-N 3.1Å; L567-Y570 VanDerWaalsContact O-N 3.16Å; L567-C571 PolarHBondContact O-N 3.31Å; L567-I572 HydrophobicContact CD2-CB 4.05Å; L567-I572 HydrophobicContact CD2-CG2 3.87Å; L567-I572 PolarHBondContact O-N 3.15Å; L567-V574 HydrophobicContact CD1-CG2 3.79Å; L567-V574 HydrophobicContact CD2-CG2 4.01Å
568	S	93.2	Very high	87.2	Confident	85 Å²	85	98.6 Å²	98.6	59%	0.594	56%	0.557	S	S	*	*	H	α-helix	trans	-62.8	-40.2	176.9	-62.3	0	0	0	0	112.2	D564 E565 I566 Y570 C571	D564-S568 VanDerWaalsContact O-CB 3.3Å; D564-S568 WeakPolarHBondContact O-CB 3.22Å; D564-S568 PolarHBondContact O-N 2.89Å; D564-S568 PolarHBondContact O-OG 3.4Å; E565-S568 PolarHBondContact O-N 3.39Å; I566-S568 VanDerWaalsContact C-N 3.32Å; I566-S568 PolarHBondContact O-N 3.12Å; S568-Y570 PolarHBondContact O-N 3.41Å; S568-C571 PolarHBondContact O-N 2.7Å; S568-C571 VanDerWaalsContact O-N 3.09Å
569	Q	93.8	Very high	84.8	Confident	89 Å²	89	106.2 Å²	106.2	42%	0.416	59%	0.587	S	S	.	*	H	α-helix	trans	-59.2	-32.7	175.4	-177.9	-174.8	-69.3	0	0	112.6	K199 E565 I566 L567	K199-Q569 HydrophobicContact CD-CG 4.39Å; K199-Q569 VanDerWaalsContact CE-NE2 3.29Å; K199-Q569 HydrophobicContact CG-CG 4.36Å; E565-Q569 PolarHBondContact O-N 3.16Å; I566-Q569 WeakPolarHBondContact O-CB 3.34Å; I566-Q569 PolarHBondContact O-N 2.74Å; L567-Q569 PolarHBondContact O-N 3.43Å
570	Y	94.3	Very high	82.1	Confident	69 Å²	69	109.1 Å²	109.1	27%	0.271	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98	5.8	178.9	-64.2	-57	0	0	0	113.5	P197 T198 K199 I566 L567 S568 I572	P197-Y570 HydrophobicContact CB-CD1 4.23Å; P197-Y570 HydrophobicContact CB-CD2 4.36Å; P197-Y570 HydrophobicContact CB-CG 4Å; P197-Y570 HydrophobicContact CG-CD2 4.17Å; P197-Y570 HydrophobicContact CG-CE2 4.36Å; P197-Y570 HydrophobicContact CG-CG 4.28Å; T198-Y570 VanDerWaalsContact C-CD1 3.46Å; T198-Y570 WeakPolarHBondContact O-CD1 3.4Å; K199-Y570 HydrophobicContact CG-CD1 4.23Å; K199-Y570 HydrophobicContact CG-CE1 4.1Å; I566-Y570 HydrophobicContact CG2-CD2 3.81Å; I566-Y570 HydrophobicContact CG2-CE2 3.62Å; I566-Y570 WeakPolarHBondContact O-CD2 3.41Å; I566-Y570 PolarHBondContact O-N 2.74Å; L567-Y570 CarbonylContact O-C 3.51Å; L567-Y570 PolarHBondContact O-N 3.1Å; L567-Y570 VanDerWaalsContact O-N 3.16Å; S568-Y570 PolarHBondContact O-N 3.41Å; Y570-I572 PolarHBondContact O-N 3.22Å
571	C	91.6	Very high	81.6	Confident	84 Å²	84	109.7 Å²	109.7	57%	0.568	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.9	37.5	-176.4	-57.3	0	0	0	0	113.1	L567 S568	L567-C571 PolarHBondContact O-N 3.31Å; S568-C571 PolarHBondContact O-N 2.7Å; S568-C571 VanDerWaalsContact O-N 3.09Å
572	I	91.7	Very high	81.1	Confident	45 Å²	45	105.7 Å²	105.7	23%	0.231	59%	0.594	C	S	.	*			trans	-102.2	134.5	-179.1	-61.7	172.7	0	0	0	109.5	P197 W204 L567 Y570	P197-I572 HydrophobicContact CB-CD1 3.6Å; P197-I572 HydrophobicContact CG-CD1 4.32Å; W204-I572 HydrophobicContact CH2-CD1 3.61Å; W204-I572 HydrophobicContact CH2-CG1 3.86Å; W204-I572 HydrophobicContact CZ2-CG1 4.5Å; W204-I572 HydrophobicContact CZ3-CD1 3.94Å; L567-I572 HydrophobicContact CD2-CB 4.05Å; L567-I572 HydrophobicContact CD2-CG2 3.87Å; L567-I572 PolarHBondContact O-N 3.15Å; Y570-I572 PolarHBondContact O-N 3.22Å
573	S	88.8	Confident	80.6	Confident	114 Å²	114	107.6 Å²	107.6	80%	0.797	60%	0.603	S	S	*	*			trans	-113.7	131.6	166	57	0	0	0	0	109.2
574	V	86.5	Confident	79.9	Confident	97 Å²	97	106.9 Å²	106.9	59%	0.588	60%	0.601	S	S	*	*			trans	-90.1	115.6	177.7	178.9	0	0	0	0	108.6	L567 N576	L567-V574 HydrophobicContact CD1-CG2 3.79Å; L567-V574 HydrophobicContact CD2-CG2 4.01Å; V574-N576 PolarHBondContact O-N 2.93Å
575	S	85.7	Confident	79.1	Confident	85 Å²	85	105.6 Å²	105.6	59%	0.594	60%	0.595	S	S	*	*			trans	-81.8	115.1	170.8	54.9	0	0	0	0	109.6	H577	S575-H577 PolarHBondContact O-N 3.15Å
576	N	71.1	Confident	78.1	Confident	133 Å²	133	101.9 Å²	101.9	71%	0.711	59%	0.585	S	S	*	*			trans	-72.8	74.9	170.1	-78.9	-27.7	0	0	0	109.9	V574 S578	V574-N576 PolarHBondContact O-N 2.93Å; N576-S578 PolarHBondContact O-N 2.88Å
577	H	56.9	Low	77	Confident	154 Å²	154	104.1 Å²	104.1	71%	0.713	60%	0.601	S	S	*	*			trans	-83.6	8.9	171	-83.8	-45.9	0	0	0	113.7	S575	S575-H577 PolarHBondContact O-N 3.15Å
578	S	52.3	Low	75.8	Confident	107 Å²	107	110.5 Å²	110.5	75%	0.748	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	23.2	180	53.3	0	0	0	0	115	N576	N576-S578 PolarHBondContact O-N 2.88Å
579	K	42.3	Very low	74.3	Confident	207 Å²	207	112.7 Å²	112.7	90%	0.9	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.9	23.5	173.8	-85.5	-166.9	179.4	-179.1	0	115.2
580	S	36.8	Very low	72.5	Confident	168 Å²	168	114.8 Å²	114.8	100%	1.175	66%	0.663	S	S	*	*			trans	-115.9	0	159.4	64.2	0	0	0	0	108.9

Retrieved 580 of 580 residues in 185.6 ms (Link to these results)

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