A0A077YYS9_TRITR Loading...

Ligand gated ion channel 50

AlphaFold DB , UniProt , Accession A0A077YYS9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 395 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.2	Very low	41.6	Very low	241 Å²	241	128 Å²	128	100%	1.187	71%	0.707	S	S	*	*				0	120	0	-75.7	159.2	107.6	0	0	107.5
2	S	34.7	Very low	41.7	Very low	116 Å²	116	121.5 Å²	121.5	81%	0.811	68%	0.677	S	S	*	*			trans	32.5	113.8	166.4	55.3	0	0	0	0	120
3	A	38.4	Very low	41.4	Very low	83 Å²	83	119.1 Å²	119.1	69%	0.686	66%	0.661	S	S	*	*			trans	-60.5	136.7	162.7	0	0	0	0	0	112.2
4	P	39.9	Very low	41.4	Very low	109 Å²	109	122.1 Å²	122.1	71%	0.708	67%	0.674	S	S	*	*			trans	-99.2	82.7	166	35.1	-25.1	0	0	0	109
5	S	47.5	Very low	41.1	Very low	79 Å²	79	124 Å²	124	55%	0.552	68%	0.676	S	S	*	*			trans	-126.7	-12	169.8	74.1	0	0	0	0	114.3
6	T	41.7	Very low	40.9	Very low	106 Å²	106	117.3 Å²	117.3	65%	0.65	64%	0.641	S	S	*	*	S	Bend	trans	-89.8	-20.1	-177.5	41.6	0	0	0	0	114.3
7	T	45.1	Very low	40.1	Very low	93 Å²	93	118.6 Å²	118.6	57%	0.571	65%	0.646	S	S	*	*	S	Bend	trans	-80.4	-22.1	-177.7	15.9	0	0	0	0	114.6
8	I	49.1	Very low	39.5	Very low	112 Å²	112	117.7 Å²	117.7	57%	0.574	64%	0.639	S	S	*	*	S	Bend	trans	-77.2	-31.9	-180	-61	173.3	0	0	0	111	Q10	I8-Q10 VanDerWaalsContact C-N 3.27Å; I8-Q10 PolarHBondContact O-N 2.76Å
9	L	42.3	Very low	39.7	Very low	95 Å²	95	122.5 Å²	122.5	50%	0.497	65%	0.647	S	S	.	*	H	α-helix	trans	-67.8	-23.1	178.9	-81	148.3	0	0	0	113.5	W11 L13 F195	L9-W11 PolarHBondContact O-N 3.06Å; L9-L13 WeakPolarHBondContact O-CD1 3.14Å; L9-L13 WeakPolarHBondContact O-CG 2.79Å; L9-F195 HydrophobicContact CD2-CE2 4.01Å; L9-F195 HydrophobicContact CD2-CZ 3.97Å; L9-F195 VanDerWaalsContact O-CZ 3.28Å; L9-F195 WeakPolarHBondContact O-CZ 3.43Å
10	Q	39.6	Very low	39.2	Very low	143 Å²	143	119 Å²	119	67%	0.668	64%	0.637	S	S	*	*	H	α-helix	trans	-78.6	-18.3	-168.6	-144	165.8	-10.7	0	0	114	I8	I8-Q10 VanDerWaalsContact C-N 3.27Å; I8-Q10 PolarHBondContact O-N 2.76Å
11	W	46.1	Very low	38.7	Very low	231 Å²	231	115 Å²	115	88%	0.875	62%	0.624	S	S	*	*	H	α-helix	trans	-84.2	-31.4	-178.8	-89	87.1	0	0	0	114.4	L9	L9-W11 PolarHBondContact O-N 3.06Å
12	C	42.5	Very low	38.4	Very low	50 Å²	50	104.9 Å²	104.9	34%	0.338	58%	0.581	S	S	.	*	H	α-helix	trans	-89.4	-21.8	-179.7	-73.9	0	0	0	0	113.6	L14 C135 F195	C12-L14 PolarHBondContact O-N 2.78Å; C12-L14 VanDerWaalsContact O-N 3.14Å; C12-C135 VanDerWaalsContact SG-SG 3.67Å; C12-F195 VanDerWaalsContact C-CE1 3.41Å; C12-F195 HydrophobicContact CB-CB 4.28Å; C12-F195 HydrophobicContact CB-CD1 3.38Å; C12-F195 HydrophobicContact CB-CD2 3.38Å; C12-F195 HydrophobicContact CB-CE1 3.44Å; C12-F195 VanDerWaalsContact CB-CE1 3.44Å; C12-F195 HydrophobicContact CB-CE2 3.43Å; C12-F195 VanDerWaalsContact CB-CE2 3.43Å; C12-F195 HydrophobicContact CB-CG 3.36Å; C12-F195 HydrophobicContact CB-CZ 3.48Å; C12-F195 VanDerWaalsContact CB-CZ 3.48Å
13	L	37.8	Very low	38.1	Very low	90 Å²	90	106.6 Å²	106.6	47%	0.471	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-60.8	-22.6	179.6	-86.5	166.8	0	0	0	114.3	L9 Q15 F195	L9-L13 WeakPolarHBondContact O-CD1 3.14Å; L9-L13 WeakPolarHBondContact O-CG 2.79Å; L13-Q15 PolarHBondContact O-N 2.61Å; L13-Q15 VanDerWaalsContact O-N 3.1Å; L13-F195 HydrophobicContact CB-CE1 4.23Å; L13-F195 HydrophobicContact CD2-CE1 4.01Å; L13-F195 HydrophobicContact CG-CE1 3.69Å; L13-F195 HydrophobicContact CG-CZ 3.97Å; L13-F195 VanDerWaalsContact N-CE1 3.29Å
14	L	42.4	Very low	37.5	Very low	162 Å²	162	105.6 Å²	105.6	85%	0.848	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-69.1	-8.5	-173.4	-159.8	68.4	0	0	0	113.9	C12	C12-L14 PolarHBondContact O-N 2.78Å; C12-L14 VanDerWaalsContact O-N 3.14Å
15	Q	36.5	Very low	37	Very low	150 Å²	150	108.5 Å²	108.5	70%	0.701	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-121	-7.4	-172.3	-82.1	-178	-5.1	0	0	117.7	L13	L13-Q15 PolarHBondContact O-N 2.61Å; L13-Q15 VanDerWaalsContact O-N 3.1Å
16	S	37.3	Very low	36.2	Very low	16 Å²	16	108.2 Å²	108.2	11%	0.112	57%	0.568	C	S	.	*	T	Hydrogen-bonded Turn	trans	-118.2	-12.9	-164	59.8	0	0	0	0	117.3	I18 M196	S16-I18 PolarHBondContact O-N 3.25Å; S16-M196 VanDerWaalsContact C-SD 3.55Å; S16-M196 VanDerWaalsContact CB-SD 3.54Å; S16-M196 WeakPolarHBondContact O-CE 3.42Å; S16-M196 WeakPolarHBondContact OG-CB 3.2Å; S16-M196 WeakPolarHBondContact OG-CG 3.06Å
17	L	27.9	Very low	36	Very low	141 Å²	141	109.5 Å²	109.5	74%	0.738	57%	0.571	S	S	*	*			trans	-52.9	102.9	178.8	-72.8	161.4	0	0	0	114.6
18	I	29.8	Very low	35.6	Very low	101 Å²	101	106.4 Å²	106.4	52%	0.518	56%	0.555	S	S	.	*				168.9	99.1	125	-75.4	149.6	0	0	0	111.5	S16 N62	S16-I18 PolarHBondContact O-N 3.25Å; I18-N62 HydrophobicContact CG2-CB 4.16Å; I18-N62 WeakPolarHBondContact O-CB 3.37Å
19	R	41.6	Very low	35.1	Very low	209 Å²	209	110.6 Å²	110.6	79%	0.789	56%	0.563	S	S	*	*			trans	59.8	110.5	130.3	-138	175.9	-166.3	-164.7	4.1	124.7	N62	R19-N62 VanDerWaalsContact O-O 3.04Å
20	A	30.3	Very low	35	Very low	53 Å²	53	110.4 Å²	110.4	44%	0.438	57%	0.568	S	S	.	*				65.6	118	128.3	0	0	0	0	0	123.7
21	G	29.6	Very low	34.6	Very low	36 Å²	36	112.5 Å²	112.5	37%	0.371	58%	0.575	S	S	.	*				112.7	127.8	83.4	0	0	0	0	0	118.1	G67 G68	G21-G67 CarbonylContact C-O 3.08Å; G21-G67 CarbonylContact O-C 3.34Å; G21-G67 VanDerWaalsContact O-C 3.25Å; G21-G68 CarbonylContact C-O 3.53Å; G21-G68 WeakPolarHBondContact O-CA 3.36Å
22	G	26.9	Very low	34.1	Very low	28 Å²	28	105.1 Å²	105.1	29%	0.289	57%	0.57	S	S	.	*			trans	115.9	134.1	159.6	0	0	0	0	0	125.4	L66 G67 G68 R69	G22-L66 CarbonylContact O-C 3.07Å; G22-L66 VanDerWaalsContact O-O 3.06Å; G22-G67 CarbonylContact C-O 3.04Å; G22-G67 VanDerWaalsContact CA-C 3.46Å; G22-G67 WeakPolarHBondContact CA-O 3.03Å; G22-G67 PolarHBondContact N-O 2.73Å; G22-G67 CarbonylContact O-C 3.59Å; G22-G67 WeakPolarHBondContact O-CA 3.45Å; G22-G68 VanDerWaalsContact CA-C 3.43Å; G22-G68 PolarHBondContact N-O 2.86Å; G22-G68 CarbonylContact O-C 2.52Å; G22-G68 WeakPolarHBondContact O-CA 3.42Å; G22-G68 PolarHBondContact O-N 2.69Å; G22-R69 PolarHBondContact O-N 3.21Å
23	H	28	Very low	33.6	Very low	152 Å²	152	109.9 Å²	109.9	70%	0.704	59%	0.592	S	S	*	*			trans	64.2	158.6	155.3	-65.2	-70.4	0	0	0	124	L66 R69	H23-L66 CarbonylContact C-O 3.57Å; H23-L66 VanDerWaalsContact O-O 3.05Å; H23-R69 CarbonylContact O-C 3.56Å; H23-R69 WeakPolarHBondContact O-CA 3.4Å; H23-R69 VanDerWaalsContact O-CB 3.3Å; H23-R69 WeakPolarHBondContact O-CB 3.2Å; H23-R69 PolarHBondContact O-N 3.13Å
24	S	25	Very low	33.3	Very low	62 Å²	62	108.6 Å²	108.6	43%	0.434	60%	0.601	S	S	.	*				-131	145.5	-126	156.7	0	0	0	0	112.5
25	F	30.7	Very low	33	Very low	170 Å²	170	109.9 Å²	109.9	75%	0.746	60%	0.602	S	S	*	*			trans	-178.8	178.5	139.5	-123.1	-99.6	0	0	0	114.4
26	A	30.7	Very low	33.2	Very low	72 Å²	72	108.1 Å²	108.1	60%	0.595	60%	0.604	S	S	*	*			trans	-102.4	158.1	-153	0	0	0	0	0	118.8
27	D	36.3	Very low	33.3	Very low	134 Å²	134	112 Å²	112	72%	0.717	63%	0.631	S	S	*	*			trans	47.4	109.7	164.2	-77.8	-14.4	0	0	0	121.1
28	A	36.5	Very low	33.9	Very low	27 Å²	27	110.4 Å²	110.4	22%	0.223	63%	0.632	C	S	.	*			trans	-102.9	32.2	-174.3	0	0	0	0	0	115.7	I73	A28-I73 HydrophobicContact CB-CD1 3.62Å; A28-I73 HydrophobicContact CB-CG1 4.3Å
29	R	39.9	Very low	34.7	Very low	200 Å²	200	111 Å²	111	76%	0.755	64%	0.642	S	S	*	*			trans	-102.2	111	167.4	-142.8	177.8	-161	173.6	6.8	109.1	K31	R29-K31 PolarHBondContact O-N 2.81Å
30	P	38.7	Very low	34.7	Very low	92 Å²	92	106.2 Å²	106.2	60%	0.597	64%	0.638	S	S	*	*			trans	-64.5	121.2	174.5	20.7	-25.3	0	0	0	109.1	G32	P30-G32 PolarHBondContact O-N 2.87Å; P30-G32 VanDerWaalsContact O-N 3.17Å
31	K	32	Very low	35.8	Very low	187 Å²	187	108.6 Å²	108.6	81%	0.813	66%	0.658	S	S	*	*			trans	-60	114.5	163.1	-80.2	-175.7	175.5	-178.6	0	107.2	R29 D33	R29-K31 PolarHBondContact O-N 2.81Å; K31-D33 VanDerWaalsContact C-N 3.34Å; K31-D33 PolarHBondContact O-N 3.08Å; K31-D33 VanDerWaalsContact O-N 3.11Å
32	G	35.1	Very low	37.1	Very low	76 Å²	76	114.4 Å²	114.4	78%	0.784	68%	0.681	S	S	*	*			trans	-75.1	91.2	167.6	0	0	0	0	0	108.5	P30	P30-G32 PolarHBondContact O-N 2.87Å; P30-G32 VanDerWaalsContact O-N 3.17Å
33	D	31.8	Very low	38.7	Very low	149 Å²	149	120 Å²	120	80%	0.797	70%	0.704	S	S	*	*			trans	-140.2	120.2	166.9	-75.3	-47	0	0	0	108.1	K31	K31-D33 VanDerWaalsContact C-N 3.34Å; K31-D33 PolarHBondContact O-N 3.08Å; K31-D33 VanDerWaalsContact O-N 3.11Å
34	G	32.9	Very low	41.4	Very low	63 Å²	63	118.4 Å²	118.4	65%	0.649	71%	0.71	S	S	*	*			trans	138.8	91	174.2	0	0	0	0	0	113.1
35	E	34.5	Very low	44.6	Very low	189 Å²	189	118.9 Å²	118.9	88%	0.883	71%	0.712	S	S	*	*			trans	-42.2	141.9	161.8	-111	164.6	164.6	0	0	111.1	S37	E35-S37 PolarHBondContact O-N 3.17Å
36	P	40.8	Very low	47.4	Very low	114 Å²	114	112.9 Å²	112.9	74%	0.74	69%	0.69	S	S	*	*			trans	-65.3	104.7	-178.9	25.5	-30.9	0	0	0	109.5	S38	P36-S38 PolarHBondContact O-N 2.79Å
37	S	40.8	Very low	50.3	Low	97 Å²	97	111.8 Å²	111.8	68%	0.678	68%	0.678	S	S	*	*			trans	-56.6	111.5	159	55.2	0	0	0	0	107.3	E35	E35-S37 PolarHBondContact O-N 3.17Å
38	S	39.1	Very low	53	Low	107 Å²	107	107.7 Å²	107.7	75%	0.748	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-54.3	126.9	173.1	42.7	0	0	0	0	109.1	P36	P36-S38 PolarHBondContact O-N 2.79Å
39	P	47.1	Very low	55.6	Low	114 Å²	114	110.3 Å²	110.3	74%	0.74	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-69.5	138.8	-178.1	24.6	-30.2	0	0	0	110.3
40	P	42.8	Very low	58.1	Low	109 Å²	109	105.4 Å²	105.4	71%	0.708	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-62.3	139.8	173.6	23.8	-31.2	0	0	0	111.1	N42	P40-N42 VanDerWaalsContact C-N 3.28Å; P40-N42 PolarHBondContact O-N 3.12Å
41	A	52.5	Low	60.7	Low	102 Å²	102	101 Å²	101	84%	0.843	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	37.2	-156.2	0	0	0	0	0	117
42	N	57.5	Low	63.6	Low	159 Å²	159	93.3 Å²	93.3	85%	0.85	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.5	18.4	174.9	-123.2	5	0	0	0	118.5	P40	P40-N42 VanDerWaalsContact C-N 3.28Å; P40-N42 PolarHBondContact O-N 3.12Å
43	N	60.6	Low	66.3	Low	146 Å²	146	94.6 Å²	94.6	78%	0.781	59%	0.59	S	S	*	*			trans	-103.4	117.9	175.1	-77.1	-5	0	0	0	111.8	C45	N43-C45 PolarHBondContact O-N 2.91Å
44	S	84.8	Confident	69.2	Low	118 Å²	118	90.4 Å²	90.4	83%	0.825	57%	0.565	S	S	*	*			trans	-57.7	113.8	167.3	55.5	0	0	0	0	110
45	C	90.4	Very high	72	Confident	71 Å²	71	87.9 Å²	87.9	48%	0.48	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-82.1	153.3	172.3	64.6	0	0	0	0	110.4	N43 C114	N43-C45 PolarHBondContact O-N 2.91Å; C45-C114 VanDerWaalsContact C-SG 3.59Å; C45-C114 HydrophobicContact CB-CB 3.89Å; C45-C114 WeakPolarHBondContact CB-SG 3.3Å; C45-C114 WeakPolarHBondContact SG-CB 3.44Å; C45-C114 CovalentContact SG-SG 2.04Å; C45-C114 PolarHBondContact SG-SG 3.1Å
46	T	90.6	Very high	74.7	Confident	45 Å²	45	80.2 Å²	80.2	28%	0.276	50%	0.502	S	S	.	.	B	Isolated β-bridge	trans	-82	137.4	-179.2	-54.9	0	0	0	0	111	N50 I51 L111 H112 C114	T46-N50 HydrophobicContact CG2-CB 3.87Å; T46-I51 HydrophobicContact CG2-CD1 4.39Å; T46-I51 HydrophobicContact CG2-CG1 3.81Å; T46-L111 WeakPolarHBondContact CB-O 3.4Å; T46-L111 PolarHBondContact OG1-O 2.89Å; T46-H112 PolarHBondContact N-O 3.33Å; T46-C114 PolarHBondContact O-N 3.2Å; T46-C114 PolarHBondContact O-SG 3.11Å
47	S	92	Very high	77	Confident	49 Å²	49	83.2 Å²	83.2	34%	0.343	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-69.5	149.1	178.6	66.2	0	0	0	0	112.8	S49 N50 I51	S47-S49 VanDerWaalsContact C-N 3.25Å; S47-S49 PolarHBondContact O-N 3.3Å; S47-N50 PolarHBondContact O-N 3.15Å; S47-N50 VanDerWaalsContact O-N 3.16Å; S47-N50 PolarHBondContact OG-ND2 3.18Å; S47-I51 WeakPolarHBondContact O-CG1 3.3Å; S47-I51 PolarHBondContact O-N 2.96Å; S47-I51 VanDerWaalsContact O-N 3.15Å
48	D	92	Very high	79.2	Confident	48 Å²	48	82.2 Å²	82.2	26%	0.257	49%	0.488	S	S	.	.	H	α-helix	trans	-53.7	-41	178.9	-61.6	-6.1	0	0	0	111.6	I51 V52 K115 L118	D48-I51 PolarHBondContact O-N 3.49Å; D48-V52 VanDerWaalsContact O-CG2 3.27Å; D48-V52 WeakPolarHBondContact O-CG2 3.14Å; D48-V52 PolarHBondContact O-N 3.22Å; D48-K115 IonicContact OD2-NZ 2.84Å; D48-K115 PolarHBondContact OD2-NZ 2.7Å; D48-L118 HydrophobicContact CB-CD2 3.74Å
49	S	90.9	Very high	81.6	Confident	81 Å²	81	78 Å²	78	57%	0.566	46%	0.457	S	S	*	.	H	α-helix	trans	-63.7	-45	178.7	-52.5	0	0	0	0	113.2	S47 I51 V52 D53	S47-S49 VanDerWaalsContact C-N 3.25Å; S47-S49 PolarHBondContact O-N 3.3Å; S49-I51 VanDerWaalsContact C-N 3.29Å; S49-I51 PolarHBondContact O-N 3.03Å; S49-V52 PolarHBondContact O-N 2.64Å; S49-D53 PolarHBondContact O-N 2.8Å
50	N	92.8	Very high	83.6	Confident	98 Å²	98	81.8 Å²	81.8	52%	0.524	46%	0.456	S	S	.	.	H	α-helix	trans	-65.9	-35.9	180	-70.7	-2.8	0	0	0	111.2	T46 S47 E54	T46-N50 HydrophobicContact CG2-CB 3.87Å; S47-N50 PolarHBondContact O-N 3.15Å; S47-N50 VanDerWaalsContact O-N 3.16Å; S47-N50 PolarHBondContact OG-ND2 3.18Å; N50-E54 WeakPolarHBondContact O-CB 3.32Å; N50-E54 PolarHBondContact O-N 3.19Å
51	I	93.8	Very high	85.6	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	45%	0.448	C	S	.	.	H	α-helix	trans	-64.5	-47	174.9	-65.9	161.3	0	0	0	110.4	T46 S47 D48 S49 D53 E54 I55 F108 L111 P113 L118	T46-I51 HydrophobicContact CG2-CD1 4.39Å; T46-I51 HydrophobicContact CG2-CG1 3.81Å; S47-I51 WeakPolarHBondContact O-CG1 3.3Å; S47-I51 PolarHBondContact O-N 2.96Å; S47-I51 VanDerWaalsContact O-N 3.15Å; D48-I51 PolarHBondContact O-N 3.49Å; S49-I51 VanDerWaalsContact C-N 3.29Å; S49-I51 PolarHBondContact O-N 3.03Å; I51-D53 VanDerWaalsContact C-N 3.34Å; I51-D53 PolarHBondContact O-N 2.58Å; I51-E54 PolarHBondContact O-N 2.88Å; I51-I55 HydrophobicContact CG2-CD1 3.69Å; I51-I55 HydrophobicContact CG2-CG1 4.3Å; I51-I55 WeakPolarHBondContact O-CB 3.32Å; I51-I55 VanDerWaalsContact O-CG1 3.27Å; I51-I55 WeakPolarHBondContact O-CG1 3.49Å; I51-I55 PolarHBondContact O-N 3.04Å; I51-F108 HydrophobicContact CD1-CD2 4.36Å; I51-F108 HydrophobicContact CG2-CB 3.58Å; I51-F108 HydrophobicContact CG2-CD1 4.25Å; I51-F108 HydrophobicContact CG2-CD2 3.95Å; I51-F108 HydrophobicContact CG2-CG 3.67Å; I51-L111 HydrophobicContact CG1-CB 4.42Å; I51-L111 HydrophobicContact CG1-CD1 4.35Å; I51-L111 HydrophobicContact CG2-CD1 4.25Å; I51-P113 HydrophobicContact CD1-CB 3.62Å; I51-L118 HydrophobicContact CB-CD1 4.42Å; I51-L118 HydrophobicContact CG2-CD1 3.7Å
52	V	92.8	Very high	87.2	Confident	24 Å²	24	81.4 Å²	81.4	15%	0.145	42%	0.424	C	S	.	.	H	α-helix	trans	-61.7	-43.1	179.1	171.3	0	0	0	0	111.2	D48 S49 E54 I55 L56 L118 L120 L125	D48-V52 VanDerWaalsContact O-CG2 3.27Å; D48-V52 WeakPolarHBondContact O-CG2 3.14Å; D48-V52 PolarHBondContact O-N 3.22Å; S49-V52 PolarHBondContact O-N 2.64Å; V52-E54 PolarHBondContact O-N 3.49Å; V52-I55 PolarHBondContact O-N 3.19Å; V52-L56 HydrophobicContact CG1-CD1 3.66Å; V52-L56 HydrophobicContact CG1-CG 4.35Å; V52-L56 WeakPolarHBondContact O-CB 3.44Å; V52-L56 WeakPolarHBondContact O-CD1 3.01Å; V52-L56 WeakPolarHBondContact O-CG 3.22Å; V52-L56 PolarHBondContact O-N 2.99Å; V52-L118 HydrophobicContact CG2-CD1 4.3Å; V52-L120 HydrophobicContact CG2-CD1 4.25Å; V52-L120 HydrophobicContact CG2-CD2 3.49Å; V52-L120 VanDerWaalsContact CG2-CD2 3.49Å; V52-L125 HydrophobicContact CG1-CD2 4.48Å
53	D	92.7	Very high	88.6	Confident	103 Å²	103	82.5 Å²	82.5	55%	0.551	42%	0.416	S	S	*	.	H	α-helix	trans	-63.1	-41.4	177.4	-75	-22.7	0	0	0	112	S49 I51 L56 R57	S49-D53 PolarHBondContact O-N 2.8Å; I51-D53 VanDerWaalsContact C-N 3.34Å; I51-D53 PolarHBondContact O-N 2.58Å; D53-L56 PolarHBondContact O-N 3.15Å; D53-R57 WeakPolarHBondContact O-CB 3.47Å; D53-R57 PolarHBondContact O-N 3.16Å
54	E	91.9	Very high	89.8	Confident	61 Å²	61	75.7 Å²	75.7	29%	0.285	38%	0.379	S	S	.	.	H	α-helix	trans	-68.2	-41.2	177.4	-177.2	57.2	-163.8	0	0	112.5	N50 I51 V52 L56 R57 T58 L111	N50-E54 WeakPolarHBondContact O-CB 3.32Å; N50-E54 PolarHBondContact O-N 3.19Å; I51-E54 PolarHBondContact O-N 2.88Å; V52-E54 PolarHBondContact O-N 3.49Å; E54-L56 VanDerWaalsContact C-N 3.33Å; E54-L56 PolarHBondContact O-N 3.05Å; E54-R57 PolarHBondContact O-N 3.48Å; E54-R57 IonicContact OE1-CZ 3.58Å; E54-R57 IonicContact OE1-NE 3.99Å; E54-R57 IonicContact OE1-NH2 2.69Å; E54-R57 PolarHBondContact OE1-NH2 2.84Å; E54-R57 IonicContact OE2-CZ 3.43Å; E54-R57 IonicContact OE2-NE 3.68Å; E54-R57 PolarHBondContact OE2-NE 3.23Å; E54-R57 IonicContact OE2-NH2 3.21Å; E54-R57 PolarHBondContact OE2-NH2 2.83Å; E54-T58 WeakPolarHBondContact O-CG2 3.4Å; E54-T58 PolarHBondContact O-N 3.3Å; E54-T58 VanDerWaalsContact O-N 3.1Å; E54-T58 PolarHBondContact O-OG1 3.32Å; E54-T58 WeakPolarHBondContact OE1-CG2 3.48Å; E54-L111 HydrophobicContact CB-CD1 4.24Å; E54-L111 HydrophobicContact CG-CD1 4.05Å; E54-L111 HydrophobicContact CG-CD2 4.47Å
55	I	92.6	Very high	89.9	Confident	11 Å²	11	70.3 Å²	70.3	6%	0.056	34%	0.342	C	S	.	.	H	α-helix	trans	-58.2	-48.4	172.7	-72.4	169.4	0	0	0	109.7	I51 V52 R57 T58 H59 L106 F108 L118	I51-I55 HydrophobicContact CG2-CD1 3.69Å; I51-I55 HydrophobicContact CG2-CG1 4.3Å; I51-I55 WeakPolarHBondContact O-CB 3.32Å; I51-I55 VanDerWaalsContact O-CG1 3.27Å; I51-I55 WeakPolarHBondContact O-CG1 3.49Å; I51-I55 PolarHBondContact O-N 3.04Å; V52-I55 PolarHBondContact O-N 3.19Å; I55-R57 VanDerWaalsContact C-N 3.26Å; I55-R57 PolarHBondContact O-N 3.04Å; I55-T58 PolarHBondContact O-N 3.07Å; I55-T58 PolarHBondContact O-OG1 3.1Å; I55-H59 HydrophobicContact CG2-CB 4.44Å; I55-H59 WeakPolarHBondContact O-CB 3.32Å; I55-H59 PolarHBondContact O-N 3.29Å; I55-L106 HydrophobicContact CG2-CD2 3.41Å; I55-L106 VanDerWaalsContact CG2-CD2 3.41Å; I55-F108 HydrophobicContact CD1-CB 4.19Å; I55-F108 HydrophobicContact CD1-CD1 3.96Å; I55-F108 HydrophobicContact CD1-CG 4.4Å; I55-L118 HydrophobicContact CD1-CD1 4.46Å
56	L	90.5	Very high	89.4	Confident	28 Å²	28	70 Å²	70	15%	0.147	33%	0.334	C	S	.	.	H	α-helix	trans	-69.6	-23.5	-177.5	-69.9	166.6	0	0	0	113.8	V52 D53 E54 L125 R128 L129	V52-L56 HydrophobicContact CG1-CD1 3.66Å; V52-L56 HydrophobicContact CG1-CG 4.35Å; V52-L56 WeakPolarHBondContact O-CB 3.44Å; V52-L56 WeakPolarHBondContact O-CD1 3.01Å; V52-L56 WeakPolarHBondContact O-CG 3.22Å; V52-L56 PolarHBondContact O-N 2.99Å; D53-L56 PolarHBondContact O-N 3.15Å; E54-L56 VanDerWaalsContact C-N 3.33Å; E54-L56 PolarHBondContact O-N 3.05Å; L56-L125 HydrophobicContact CD1-CD1 3.73Å; L56-L125 HydrophobicContact CD2-CD1 3.53Å; L56-L125 HydrophobicContact CG-CD1 4.08Å; L56-R128 HydrophobicContact CD2-CB 4.04Å; L56-L129 HydrophobicContact CD2-CD2 4.3Å
57	R	89.6	Confident	88.8	Confident	177 Å²	177	70 Å²	70	67%	0.668	34%	0.343	S	S	*	.	H	α-helix	trans	-76.4	-37	175.4	-169.4	-175.7	72.3	83.1	1.9	112	D53 E54 I55	D53-R57 WeakPolarHBondContact O-CB 3.47Å; D53-R57 PolarHBondContact O-N 3.16Å; E54-R57 PolarHBondContact O-N 3.48Å; E54-R57 IonicContact OE1-CZ 3.58Å; E54-R57 IonicContact OE1-NE 3.99Å; E54-R57 IonicContact OE1-NH2 2.69Å; E54-R57 PolarHBondContact OE1-NH2 2.84Å; E54-R57 IonicContact OE2-CZ 3.43Å; E54-R57 IonicContact OE2-NE 3.68Å; E54-R57 PolarHBondContact OE2-NE 3.23Å; E54-R57 IonicContact OE2-NH2 3.21Å; E54-R57 PolarHBondContact OE2-NH2 2.83Å; I55-R57 VanDerWaalsContact C-N 3.26Å; I55-R57 PolarHBondContact O-N 3.04Å
58	T	87.3	Confident	88.5	Confident	75 Å²	75	67.7 Å²	67.7	46%	0.46	33%	0.328	S	S	.	.	H	α-helix	trans	-93.5	-35.6	-174	54.6	0	0	0	0	112.9	E54 I55	E54-T58 WeakPolarHBondContact O-CG2 3.4Å; E54-T58 PolarHBondContact O-N 3.3Å; E54-T58 VanDerWaalsContact O-N 3.1Å; E54-T58 PolarHBondContact O-OG1 3.32Å; E54-T58 WeakPolarHBondContact OE1-CG2 3.48Å; I55-T58 PolarHBondContact O-N 3.07Å; I55-T58 PolarHBondContact O-OG1 3.1Å
59	H	88.9	Confident	88.4	Confident	19 Å²	19	68.7 Å²	68.7	9%	0.088	33%	0.328	C	S	.	.			trans	-71.9	143.2	-177.2	-178.1	76.8	0	0	0	112.6	I55 D103 S105 L106 W130	I55-H59 HydrophobicContact CG2-CB 4.44Å; I55-H59 WeakPolarHBondContact O-CB 3.32Å; I55-H59 PolarHBondContact O-N 3.29Å; H59-D103 IonicContact CE1-OD2 3.82Å; H59-D103 PolarHBondContact CE1-OD2 3.47Å; H59-D103 VanDerWaalsContact CE1-OD2 3.23Å; H59-D103 IonicContact ND1-OD2 2.8Å; H59-S105 PolarHBondContact CE1-OG 3.37Å; H59-S105 PolarHBondContact ND1-OG 2.99Å; H59-L106 HydrophobicContact CB-CD2 4.05Å; H59-L106 WeakPolarHBondContact ND1-CD2 3.34Å; H59-W130 PolarHBondContact NE2-N 2.93Å; H59-W130 VanDerWaalsContact NE2-N 3.16Å
60	R	88.3	Confident	88.6	Confident	194 Å²	194	64.9 Å²	64.9	73%	0.732	30%	0.301	S	S	*	.			trans	-123.2	109.5	176.1	-65.8	-173.3	-177.1	-176.3	1.1	110.1	N62 R63	R60-N62 PolarHBondContact O-N 3.49Å; R60-R63 HydrophobicContact CB-CB 4.39Å; R60-R63 PolarHBondContact O-N 3.29Å
61	R	85.6	Confident	88.7	Confident	143 Å²	143	61.6 Å²	61.6	54%	0.54	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.2	-175.6	85.2	-175.6	-174.6	-163.2	-1.4	115.9	R128 W130	R61-R128 WeakPolarHBondContact CB-O 3.47Å; R61-W130 WeakPolarHBondContact O-CA 3.47Å; R61-W130 WeakPolarHBondContact O-CB 3.49Å; R61-W130 VanDerWaalsContact O-CD1 3.23Å
62	N	85.8	Confident	88.9	Confident	60 Å²	60	61.6 Å²	61.6	32%	0.321	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2	-176.1	-67.5	-2.9	0	0	0	112.4	I18 R19 R60	I18-N62 HydrophobicContact CG2-CB 4.16Å; I18-N62 WeakPolarHBondContact O-CB 3.37Å; R19-N62 VanDerWaalsContact O-O 3.04Å; R60-N62 PolarHBondContact O-N 3.49Å
63	R	86	Confident	89.1	Confident	182 Å²	182	62.1 Å²	62.1	69%	0.687	29%	0.285	S	S	*	.	S	Bend	trans	-97.9	124.9	178.7	-174.5	180	-176.2	176.1	1.4	108.2	R60	R60-R63 HydrophobicContact CB-CB 4.39Å; R60-R63 PolarHBondContact O-N 3.29Å
64	L	87.5	Confident	89.3	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.016	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-67.3	139.9	174.9	-78.2	66.1	0	0	0	110.5	G68 W130 Y197 E201	L64-G68 VanDerWaalsContact CD2-O 3.32Å; L64-G68 WeakPolarHBondContact CD2-O 3.05Å; L64-W130 HydrophobicContact CG-CZ2 4.02Å; L64-Y197 HydrophobicContact CD1-CD1 4.44Å; L64-Y197 HydrophobicContact CD1-CE1 3.76Å; L64-Y197 HydrophobicContact CD2-CD1 4.24Å; L64-Y197 HydrophobicContact CD2-CE1 4.32Å; L64-Y197 HydrophobicContact CG-CE1 4.23Å; L64-E201 HydrophobicContact CD2-CB 3.76Å; L64-E201 HydrophobicContact CD2-CG 4Å
65	P	86.1	Confident	89.6	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.032	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-60.3	163.1	174.1	-22.6	28	0	0	0	114.5	G67 G68 V70 D103 W130	P65-G67 PolarHBondContact O-N 3.06Å; P65-G67 VanDerWaalsContact O-N 3.12Å; P65-G68 WeakPolarHBondContact O-CA 3.04Å; P65-G68 PolarHBondContact O-N 2.74Å; P65-V70 HydrophobicContact CB-CG2 3.87Å; P65-V70 HydrophobicContact CG-CG2 3.88Å; P65-D103 HydrophobicContact CB-CB 3.9Å; P65-D103 HydrophobicContact CG-CB 3.88Å; P65-W130 HydrophobicContact CG-CD2 3.87Å; P65-W130 HydrophobicContact CG-CE3 3.52Å; P65-W130 HydrophobicContact CG-CG 4.41Å; P65-W130 HydrophobicContact CG-CZ3 3.92Å
66	L	78.9	Confident	89.9	Confident	63 Å²	63	55.2 Å²	55.2	33%	0.33	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	58.4	25.8	171	-68.4	167.2	0	0	0	116	G22 H23 G68 S102 P104	G22-L66 CarbonylContact O-C 3.07Å; G22-L66 VanDerWaalsContact O-O 3.06Å; H23-L66 CarbonylContact C-O 3.57Å; H23-L66 VanDerWaalsContact O-O 3.05Å; L66-G68 VanDerWaalsContact C-N 3.31Å; L66-S102 WeakPolarHBondContact CD1-O 3.36Å; L66-P104 HydrophobicContact CD2-CG 3.37Å; L66-P104 HydrophobicContact CG-CG 4.05Å
67	G	78.8	Confident	90.2	Very high	45 Å²	45	58.3 Å²	58.3	46%	0.464	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	89.6	2.4	-176.7	0	0	0	0	0	112.8	G21 G22 P65	G21-G67 CarbonylContact C-O 3.08Å; G21-G67 CarbonylContact O-C 3.34Å; G21-G67 VanDerWaalsContact O-C 3.25Å; G22-G67 CarbonylContact C-O 3.04Å; G22-G67 VanDerWaalsContact CA-C 3.46Å; G22-G67 WeakPolarHBondContact CA-O 3.03Å; G22-G67 PolarHBondContact N-O 2.73Å; G22-G67 CarbonylContact O-C 3.59Å; G22-G67 WeakPolarHBondContact O-CA 3.45Å; P65-G67 PolarHBondContact O-N 3.06Å; P65-G67 VanDerWaalsContact O-N 3.12Å
68	G	85.5	Confident	90.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.01	23%	0.227	C	C	.	.	S	Bend	trans	91.9	29.7	-176.4	0	0	0	0	0	125.6	G21 G22 L64 P65 L66	G21-G68 CarbonylContact C-O 3.53Å; G21-G68 WeakPolarHBondContact O-CA 3.36Å; G22-G68 VanDerWaalsContact CA-C 3.43Å; G22-G68 PolarHBondContact N-O 2.86Å; G22-G68 CarbonylContact O-C 2.52Å; G22-G68 WeakPolarHBondContact O-CA 3.42Å; G22-G68 PolarHBondContact O-N 2.69Å; L64-G68 VanDerWaalsContact CD2-O 3.32Å; L64-G68 WeakPolarHBondContact CD2-O 3.05Å; P65-G68 WeakPolarHBondContact O-CA 3.04Å; P65-G68 PolarHBondContact O-N 2.74Å; L66-G68 VanDerWaalsContact C-N 3.31Å
69	R	91.1	Very high	91	Very high	70 Å²	70	48.7 Å²	48.7	26%	0.264	22%	0.216	S	C	.	.			trans	-122.5	128.1	155.5	171.3	-174.4	-81.7	-177.3	-6.7	108.4	G22 H23 D200 E201	G22-R69 PolarHBondContact O-N 3.21Å; H23-R69 CarbonylContact O-C 3.56Å; H23-R69 WeakPolarHBondContact O-CA 3.4Å; H23-R69 VanDerWaalsContact O-CB 3.3Å; H23-R69 WeakPolarHBondContact O-CB 3.2Å; H23-R69 PolarHBondContact O-N 3.13Å; R69-D200 WeakPolarHBondContact CG-O 3.42Å; R69-D200 PolarHBondContact NE-O 2.99Å; R69-D200 IonicContact NH2-OD1 3.62Å; R69-D200 PolarHBondContact NH2-OD1 2.81Å; R69-D200 VanDerWaalsContact NH2-OD1 3.08Å; R69-E201 CarbonylContact C-O 3.56Å; R69-E201 VanDerWaalsContact CA-O 3.3Å; R69-E201 WeakPolarHBondContact CA-O 3.23Å
70	V	94.7	Very high	91.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.7	-173.5	-171	0	0	0	0	110	P65 V72 W101 W130 E201 V202 R203	P65-V70 HydrophobicContact CB-CG2 3.87Å; P65-V70 HydrophobicContact CG-CG2 3.88Å; V70-V72 HydrophobicContact CG1-CG2 4.1Å; V70-W101 HydrophobicContact CG1-CB 3.71Å; V70-W101 HydrophobicContact CG1-CG 4.15Å; V70-W130 HydrophobicContact CB-CH2 3.81Å; V70-W130 HydrophobicContact CB-CZ3 4.3Å; V70-W130 HydrophobicContact CG1-CH2 3.94Å; V70-W130 HydrophobicContact CG1-CZ3 3.96Å; V70-W130 HydrophobicContact CG2-CH2 3.66Å; V70-W130 HydrophobicContact CG2-CZ2 4.14Å; V70-W130 HydrophobicContact CG2-CZ3 4.08Å; V70-E201 PolarHBondContact N-O 3.15Å; V70-V202 WeakPolarHBondContact O-CA 3.41Å; V70-R203 PolarHBondContact O-N 3.03Å
71	D	95.2	Very high	91.7	Very high	29 Å²	29	42.2 Å²	42.2	16%	0.155	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.3	168.3	-77.2	12.5	0	0	0	108.4	R203 K205	D71-R203 IonicContact OD1-CZ 2.81Å; D71-R203 IonicContact OD1-NE 3.09Å; D71-R203 PolarHBondContact OD1-NE 2.95Å; D71-R203 IonicContact OD1-NH2 3.4Å; D71-R203 PolarHBondContact OD1-NH2 2.83Å; D71-R203 IonicContact OD2-CZ 3.08Å; D71-R203 IonicContact OD2-NE 3.54Å; D71-R203 IonicContact OD2-NH2 2.7Å; D71-R203 PolarHBondContact OD2-NH2 2.81Å; D71-K205 IonicContact OD2-NZ 3.23Å; D71-K205 PolarHBondContact OD2-NZ 2.86Å
72	V	97	Very high	92.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.9	-179.6	-178	0	0	0	0	107.8	V70 T74 E99 A100 W101 P132 V202 R203 L204 K205	V70-V72 HydrophobicContact CG1-CG2 4.1Å; V72-T74 HydrophobicContact CG1-CG2 4.06Å; V72-E99 HydrophobicContact CG1-CB 4.19Å; V72-E99 HydrophobicContact CG1-CG 4.48Å; V72-A100 WeakPolarHBondContact CA-O 3.49Å; V72-W101 HydrophobicContact CG2-CB 4.2Å; V72-P132 HydrophobicContact CG1-CG 4.14Å; V72-P132 HydrophobicContact CG2-CB 3.77Å; V72-P132 HydrophobicContact CG2-CG 4.08Å; V72-V202 HydrophobicContact CG2-CG1 3.83Å; V72-R203 PolarHBondContact N-O 2.93Å; V72-L204 HydrophobicContact CB-CD2 3.84Å; V72-L204 HydrophobicContact CG1-CD2 3.83Å; V72-K205 PolarHBondContact O-N 2.68Å
73	I	97.5	Very high	92.4	Very high	35 Å²	35	39.7 Å²	39.7	18%	0.179	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.2	174.4	-54.8	-169.6	0	0	0	108.2	A28 E99 A100 K205 I207	A28-I73 HydrophobicContact CB-CD1 3.62Å; A28-I73 HydrophobicContact CB-CG1 4.3Å; I73-E99 CarbonylContact O-C 3.5Å; I73-E99 WeakPolarHBondContact O-CA 3.4Å; I73-A100 PolarHBondContact N-O 2.81Å; I73-A100 PolarHBondContact O-N 3.04Å; I73-K205 CarbonylContact C-O 3.53Å; I73-K205 WeakPolarHBondContact CA-O 3.41Å; I73-I207 HydrophobicContact CG2-CB 3.76Å; I73-I207 HydrophobicContact CG2-CG1 4.07Å
74	T	97.6	Very high	92.7	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.4	-178.2	64.5	0	0	0	0	112.5	V72 T98 E99 Y192 L204 K205 I207 L245	V72-T74 HydrophobicContact CG1-CG2 4.06Å; T74-T98 WeakPolarHBondContact CA-O 2.86Å; T74-E99 HydrophobicContact CG2-CG 4.34Å; T74-Y192 HydrophobicContact CG2-CE1 4.5Å; T74-L204 HydrophobicContact CG2-CD2 3.81Å; T74-K205 PolarHBondContact N-O 3.35Å; T74-K205 PolarHBondContact OG1-O 3.33Å; T74-I207 PolarHBondContact O-N 3.16Å; T74-L245 HydrophobicContact CG2-CD1 3.99Å; T74-L245 WeakPolarHBondContact OG1-CD1 3.4Å
75	E	96.9	Very high	92.9	Very high	29 Å²	29	33.3 Å²	33.3	14%	0.136	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	138.1	178.1	-171.7	-176.4	-170	0	0	109.7	W77 T98 I207	E75-W77 PolarHBondContact OE1-NE1 2.62Å; E75-W77 PolarHBondContact OE2-NE1 2.96Å; E75-T98 PolarHBondContact N-O 3.48Å; E75-T98 VanDerWaalsContact N-O 3.08Å; E75-T98 PolarHBondContact O-N 2.85Å; E75-I207 HydrophobicContact CB-CG2 3.92Å; E75-I207 HydrophobicContact CG-CG2 3.8Å
76	L	98.1	Very high	92.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.2	-177.3	176.2	67.4	0	0	0	110.4	V78 V95 M97 F136 W206 P211 I212 T213 A247 F249	L76-V78 HydrophobicContact CG-CG2 4.45Å; L76-V95 HydrophobicContact CD1-CB 3.72Å; L76-V95 HydrophobicContact CD1-CG1 4Å; L76-V95 HydrophobicContact CD1-CG2 3.96Å; L76-M97 HydrophobicContact CB-CE 4.28Å; L76-M97 HydrophobicContact CD1-CE 3.81Å; L76-F136 HydrophobicContact CD1-CZ 4.44Å; L76-W206 HydrophobicContact CB-CH2 4.19Å; L76-W206 HydrophobicContact CB-CZ3 3.98Å; L76-P211 PolarHBondContact N-O 2.9Å; L76-I212 HydrophobicContact CB-CG1 4.43Å; L76-I212 HydrophobicContact CD2-CG1 4.24Å; L76-I212 VanDerWaalsContact O-CA 3.31Å; L76-I212 WeakPolarHBondContact O-CA 3.34Å; L76-T213 PolarHBondContact O-N 2.88Å; L76-A247 HydrophobicContact CD2-CB 3.53Å; L76-F249 HydrophobicContact CD2-CZ 4.16Å
77	W	97.8	Very high	93.1	Very high	93 Å²	93	37.5 Å²	37.5	35%	0.352	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.6	174.2	-68.1	18.6	0	0	0	109.5	E75 Q79 V95 Y96 T213 L215	E75-W77 PolarHBondContact OE1-NE1 2.62Å; E75-W77 PolarHBondContact OE2-NE1 2.96Å; W77-Q79 PolarHBondContact O-N 3.42Å; W77-V95 CarbonylContact O-C 3.58Å; W77-V95 VanDerWaalsContact O-CA 3.26Å; W77-V95 WeakPolarHBondContact O-CA 3.03Å; W77-Y96 PolarHBondContact N-O 3.07Å; W77-Y96 PolarHBondContact O-N 2.94Å; W77-T213 CarbonylContact C-O 3.58Å; W77-T213 VanDerWaalsContact CA-O 3.3Å; W77-T213 WeakPolarHBondContact CA-O 3.43Å; W77-L215 HydrophobicContact CB-CD1 4.32Å; W77-L215 HydrophobicContact CB-CG 4.33Å; W77-L215 HydrophobicContact CD2-CD2 4.14Å; W77-L215 HydrophobicContact CE3-CD1 4.35Å; W77-L215 HydrophobicContact CE3-CD2 3.4Å; W77-L215 VanDerWaalsContact CE3-CD2 3.4Å; W77-L215 HydrophobicContact CE3-CG 4.32Å; W77-L215 HydrophobicContact CZ3-CD2 3.87Å
78	V	97.9	Very high	93.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	114.1	177.9	-176.7	0	0	0	0	108.6	L76 I81 V95 I212 T213 L214 L215 I218 F249	L76-V78 HydrophobicContact CG-CG2 4.45Å; V78-I81 HydrophobicContact CG1-CD1 4.26Å; V78-I81 HydrophobicContact CG1-CG1 3.85Å; V78-V95 HydrophobicContact CG2-CG1 4.41Å; V78-I212 HydrophobicContact CG2-CG2 4.24Å; V78-T213 PolarHBondContact N-O 2.85Å; V78-L214 HydrophobicContact CB-CD2 3.71Å; V78-L214 HydrophobicContact CG1-CD2 4.25Å; V78-L214 HydrophobicContact CG2-CD2 3.98Å; V78-L215 PolarHBondContact O-N 2.83Å; V78-I218 HydrophobicContact CG1-CD1 4.19Å; V78-F249 HydrophobicContact CG2-CE1 3.81Å; V78-F249 HydrophobicContact CG2-CZ 3.7Å
79	Q	96.1	Very high	93.8	Very high	50 Å²	50	44.7 Å²	44.7	23%	0.234	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-49.8	176.1	-175.6	172.5	26.9	0	0	110.7	W77 D94 Y96 R167 L215 K216	W77-Q79 PolarHBondContact O-N 3.42Å; Q79-D94 HydrophobicContact CB-CB 4.29Å; Q79-D94 WeakPolarHBondContact CB-O 3.1Å; Q79-D94 PolarHBondContact N-O 3.23Å; Q79-Y96 HydrophobicContact CB-CD2 4.32Å; Q79-Y96 HydrophobicContact CB-CE2 3.96Å; Q79-Y96 HydrophobicContact CG-CE2 4.2Å; Q79-R167 VanDerWaalsContact OE1-NE 3.11Å; Q79-L215 HydrophobicContact CB-CD1 4.11Å; Q79-L215 HydrophobicContact CG-CD1 4.44Å; Q79-K216 WeakPolarHBondContact O-CE 3.27Å; Q79-K216 WeakPolarHBondContact O-CG 3.43Å
80	E	95.2	Very high	94	Very high	76 Å²	76	42.2 Å²	42.2	36%	0.355	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	151.4	-178.1	-179.9	153.3	-141.7	0	0	110	L93 D94 K216	E80-L93 CarbonylContact O-C 3.55Å; E80-L93 WeakPolarHBondContact O-CA 3.49Å; E80-L93 WeakPolarHBondContact O-CB 3.36Å; E80-D94 PolarHBondContact N-O 2.93Å; E80-D94 PolarHBondContact O-N 3.44Å; E80-K216 IonicContact OE1-NZ 2.81Å; E80-K216 PolarHBondContact OE1-NZ 2.85Å; E80-K216 IonicContact OE2-NZ 2.71Å; E80-K216 PolarHBondContact OE2-NZ 3.4Å
81	I	96.1	Very high	94	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.3	166.7	-57.2	177.9	0	0	0	104.8	V78 F91 E92 L93 I218 L220 F249 F251	V78-I81 HydrophobicContact CG1-CD1 4.26Å; V78-I81 HydrophobicContact CG1-CG1 3.85Å; I81-F91 HydrophobicContact CG2-CD2 4.39Å; I81-E92 CarbonylContact C-O 3.46Å; I81-L93 HydrophobicContact CB-CB 4.41Å; I81-L93 HydrophobicContact CG1-CB 4.05Å; I81-L93 HydrophobicContact CG2-CB 4.47Å; I81-I218 HydrophobicContact CB-CG2 3.92Å; I81-I218 HydrophobicContact CD1-CG1 4.43Å; I81-I218 HydrophobicContact CD1-CG2 4.02Å; I81-I218 HydrophobicContact CG1-CD1 4.25Å; I81-I218 HydrophobicContact CG1-CG2 4.14Å; I81-L220 HydrophobicContact CG2-CD1 4.22Å; I81-L220 HydrophobicContact CG2-CD2 4.44Å; I81-L220 WeakPolarHBondContact O-CD2 3.47Å; I81-F249 HydrophobicContact CD1-CD1 4.39Å; I81-F251 HydrophobicContact CD1-CE1 3.91Å; I81-F251 HydrophobicContact CD1-CZ 3.62Å; I81-F251 HydrophobicContact CG2-CE1 4.4Å; I81-F251 HydrophobicContact CG2-CZ 4.13Å
82	S	93.4	Very high	94.1	Very high	52 Å²	52	42.4 Å²	42.4	36%	0.364	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-47.2	-167.6	-46.8	0	0	0	0	112.1	E92	S82-E92 PolarHBondContact N-O 3.49Å
83	K	93.1	Very high	94.1	Very high	98 Å²	98	42.5 Å²	42.5	43%	0.426	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	159	-179.7	61	179.2	177.5	179.8	0	111.2	F91 E92	K83-F91 WeakPolarHBondContact O-CA 3.44Å; K83-E92 WeakPolarHBondContact CE-OE1 3.31Å; K83-E92 WeakPolarHBondContact CE-OE2 3.4Å; K83-E92 HydrophobicContact CG-CB 4.2Å; K83-E92 HydrophobicContact CG-CG 4.45Å; K83-E92 IonicContact NZ-OE1 3.59Å; K83-E92 PolarHBondContact NZ-OE1 2.86Å; K83-E92 IonicContact NZ-OE2 3.65Å; K83-E92 PolarHBondContact O-N 3.43Å
84	I	92.9	Very high	94.1	Very high	18 Å²	18	41.8 Å²	41.8	9%	0.092	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.1	168	-59.9	174.2	0	0	0	106.1	F91 L220 Y223 F251	I84-F91 HydrophobicContact CG1-CB 4.01Å; I84-L220 HydrophobicContact CD1-CD1 3.99Å; I84-L220 HydrophobicContact CG1-CD1 4.4Å; I84-Y223 HydrophobicContact CB-CD2 4.09Å; I84-Y223 HydrophobicContact CB-CE2 3.93Å; I84-Y223 HydrophobicContact CD1-CD1 4.18Å; I84-Y223 HydrophobicContact CD1-CD2 3.99Å; I84-Y223 HydrophobicContact CD1-CE2 4.46Å; I84-Y223 HydrophobicContact CD1-CG 3.83Å; I84-Y223 HydrophobicContact CG1-CD2 4.45Å; I84-Y223 HydrophobicContact CG2-CE2 4.17Å; I84-F251 HydrophobicContact CD1-CB 3.94Å; I84-F251 HydrophobicContact CD1-CD1 3.67Å; I84-F251 HydrophobicContact CD1-CD2 3.58Å; I84-F251 HydrophobicContact CD1-CE1 3.98Å; I84-F251 HydrophobicContact CD1-CE2 3.9Å; I84-F251 HydrophobicContact CD1-CG 3.44Å; I84-F251 VanDerWaalsContact CD1-CG 3.44Å; I84-F251 HydrophobicContact CD1-CZ 4.08Å
85	N	90.6	Very high	94.1	Very high	33 Å²	33	41.7 Å²	41.7	18%	0.176	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	105.6	179.8	-179.4	-14.5	0	0	0	108.8	L87 R88 S89 E90	N85-L87 WeakPolarHBondContact OD1-CB 3.44Å; N85-L87 PolarHBondContact OD1-N 3.15Å; N85-L87 VanDerWaalsContact OD1-N 3.09Å; N85-R88 WeakPolarHBondContact ND2-CD 3.43Å; N85-R88 PolarHBondContact OD1-N 3.34Å; N85-R88 VanDerWaalsContact OD1-N 3.15Å; N85-S89 WeakPolarHBondContact O-CA 3.34Å; N85-S89 PolarHBondContact O-N 2.97Å; N85-E90 HydrophobicContact CB-CG 3.99Å; N85-E90 PolarHBondContact N-O 2.85Å; N85-E90 PolarHBondContact O-N 2.8Å; N85-E90 VanDerWaalsContact O-N 3.1Å
86	E	84.7	Confident	94.1	Very high	41 Å²	41	42.8 Å²	42.8	19%	0.192	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-37.1	-179.3	-54.7	92.8	160	0	0	111.9	R88 S89 Y223 R253 P310	E86-R88 VanDerWaalsContact C-N 3.27Å; E86-R88 PolarHBondContact O-N 3.47Å; E86-S89 PolarHBondContact O-N 2.89Å; E86-S89 PolarHBondContact O-OG 2.73Å; E86-Y223 WeakPolarHBondContact CG-OH 3.44Å; E86-Y223 WeakPolarHBondContact OE1-CE2 3.35Å; E86-Y223 PolarHBondContact OE1-OH 2.88Å; E86-R253 IonicContact OE1-CZ 3.87Å; E86-R253 IonicContact OE1-NH1 3.7Å; E86-R253 PolarHBondContact OE1-NH1 3.03Å; E86-R253 IonicContact OE1-NH2 3.64Å; E86-P310 HydrophobicContact CB-CG 4.32Å
87	L	84.6	Confident	94.1	Very high	115 Å²	115	42.8 Å²	42.8	60%	0.602	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-42.5	-178.6	-63.9	175.2	0	0	0	111.5	N85 P310	N85-L87 WeakPolarHBondContact OD1-CB 3.44Å; N85-L87 PolarHBondContact OD1-N 3.15Å; N85-L87 VanDerWaalsContact OD1-N 3.09Å; L87-P310 VanDerWaalsContact CD2-CA 3.42Å; L87-P310 HydrophobicContact CD2-CB 3.68Å; L87-P310 HydrophobicContact CD2-CG 4.23Å
88	R	88.6	Confident	94.1	Very high	170 Å²	170	38.7 Å²	38.7	64%	0.642	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-7.3	179.4	-64.4	-175.5	-177.9	-170.1	0.2	113.4	N85 E86 E90 K140	N85-R88 WeakPolarHBondContact ND2-CD 3.43Å; N85-R88 PolarHBondContact OD1-N 3.34Å; N85-R88 VanDerWaalsContact OD1-N 3.15Å; E86-R88 VanDerWaalsContact C-N 3.27Å; E86-R88 PolarHBondContact O-N 3.47Å; R88-E90 VanDerWaalsContact CB-CD 3.46Å; R88-E90 HydrophobicContact CB-CG 3.79Å; R88-E90 WeakPolarHBondContact CD-OE1 3.4Å; R88-E90 IonicContact NH1-OE1 3Å; R88-K140 PolarHBondContact O-NZ 3.47Å
89	S	90.6	Very high	94.1	Very high	27 Å²	27	38.7 Å²	38.7	19%	0.189	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	56.1	-174.4	-47.2	0	0	0	0	111.3	N85 E86 K140 C174	N85-S89 WeakPolarHBondContact O-CA 3.34Å; N85-S89 PolarHBondContact O-N 2.97Å; E86-S89 PolarHBondContact O-N 2.89Å; E86-S89 PolarHBondContact O-OG 2.73Å; S89-K140 PolarHBondContact O-NZ 2.94Å; S89-C174 PolarHBondContact O-N 2.95Å; S89-C174 VanDerWaalsContact O-N 3.15Å
90	E	94.5	Very high	94.1	Very high	18 Å²	18	36.5 Å²	36.5	8%	0.084	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	159	178.6	60.2	-159.7	-161.9	0	0	112.2	N85 R88 K140 T171 G172	N85-E90 HydrophobicContact CB-CG 3.99Å; N85-E90 PolarHBondContact N-O 2.85Å; N85-E90 PolarHBondContact O-N 2.8Å; N85-E90 VanDerWaalsContact O-N 3.1Å; R88-E90 VanDerWaalsContact CB-CD 3.46Å; R88-E90 HydrophobicContact CB-CG 3.79Å; R88-E90 WeakPolarHBondContact CD-OE1 3.4Å; R88-E90 IonicContact NH1-OE1 3Å; E90-K140 HydrophobicContact CB-CD 3.99Å; E90-K140 WeakPolarHBondContact OE2-CD 3.41Å; E90-K140 IonicContact OE2-NZ 3.52Å; E90-K140 PolarHBondContact OE2-NZ 3.06Å; E90-T171 HydrophobicContact CB-CG2 3.91Å; E90-T171 HydrophobicContact CG-CG2 4.09Å; E90-G172 WeakPolarHBondContact CA-O 3.46Å; E90-G172 VanDerWaalsContact CB-O 3.3Å; E90-G172 WeakPolarHBondContact CB-O 3.42Å
91	F	96.1	Very high	94.2	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.6	171.7	71.5	-57.2	0	0	0	109.6	I81 K83 I84 L93 T171 G172 P173 C174 C188 L190 F249 F251	I81-F91 HydrophobicContact CG2-CD2 4.39Å; K83-F91 WeakPolarHBondContact O-CA 3.44Å; I84-F91 HydrophobicContact CG1-CB 4.01Å; F91-L93 HydrophobicContact CD2-CD2 3.91Å; F91-L93 HydrophobicContact CE2-CD1 3.87Å; F91-L93 HydrophobicContact CE2-CD2 3.65Å; F91-L93 HydrophobicContact CE2-CG 4.28Å; F91-L93 HydrophobicContact CZ-CD2 4.03Å; F91-T171 CarbonylContact O-C 3.6Å; F91-T171 WeakPolarHBondContact O-CA 3.36Å; F91-G172 VanDerWaalsContact CD1-C 3.5Å; F91-G172 VanDerWaalsContact CD1-O 3.26Å; F91-G172 WeakPolarHBondContact CD1-O 3.38Å; F91-G172 VanDerWaalsContact CE1-CA 3.46Å; F91-G172 PolarHBondContact N-O 2.81Å; F91-G172 PolarHBondContact O-N 2.88Å; F91-P173 WeakPolarHBondContact CE1-O 3.33Å; F91-C174 WeakPolarHBondContact CD1-SG 3.49Å; F91-C188 HydrophobicContact CD1-CB 3.54Å; F91-C188 HydrophobicContact CD2-CB 4.17Å; F91-C188 HydrophobicContact CE1-CB 3.44Å; F91-C188 VanDerWaalsContact CE1-CB 3.44Å; F91-C188 HydrophobicContact CE2-CB 4.05Å; F91-C188 HydrophobicContact CG-CB 3.93Å; F91-C188 HydrophobicContact CZ-CB 3.69Å; F91-L190 HydrophobicContact CE1-CD2 4.37Å; F91-L190 HydrophobicContact CE1-CG 4.48Å; F91-L190 HydrophobicContact CZ-CD1 4.19Å; F91-L190 HydrophobicContact CZ-CD2 4.2Å; F91-L190 HydrophobicContact CZ-CG 3.88Å; F91-F249 AromaticContact CE2-CD2 3.93Å; F91-F249 HydrophobicContact CE2-CD2 3.93Å; F91-F249 HydrophobicContact CE2-CE2 4.48Å; F91-F249 HydrophobicContact CZ-CD2 4.18Å; F91-F251 HydrophobicContact CD2-CE2 4.47Å
92	E	96.7	Very high	94.2	Very high	32 Å²	32	34.8 Å²	34.8	15%	0.15	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.2	176.8	-69.5	-176.4	-153.5	0	0	109.3	I81 S82 K83 L170 T171	I81-E92 CarbonylContact C-O 3.46Å; S82-E92 PolarHBondContact N-O 3.49Å; K83-E92 WeakPolarHBondContact CE-OE1 3.31Å; K83-E92 WeakPolarHBondContact CE-OE2 3.4Å; K83-E92 HydrophobicContact CG-CB 4.2Å; K83-E92 HydrophobicContact CG-CG 4.45Å; K83-E92 IonicContact NZ-OE1 3.59Å; K83-E92 PolarHBondContact NZ-OE1 2.86Å; K83-E92 IonicContact NZ-OE2 3.65Å; K83-E92 PolarHBondContact O-N 3.43Å; E92-L170 WeakPolarHBondContact CA-O 3.31Å; E92-T171 HydrophobicContact CG-CG2 4.12Å
93	L	97.1	Very high	94.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152.3	-179.1	71.4	165.6	0	0	0	111.7	E80 I81 F91 V95 L170 L190 F249	E80-L93 CarbonylContact O-C 3.55Å; E80-L93 WeakPolarHBondContact O-CA 3.49Å; E80-L93 WeakPolarHBondContact O-CB 3.36Å; I81-L93 HydrophobicContact CB-CB 4.41Å; I81-L93 HydrophobicContact CG1-CB 4.05Å; I81-L93 HydrophobicContact CG2-CB 4.47Å; F91-L93 HydrophobicContact CD2-CD2 3.91Å; F91-L93 HydrophobicContact CE2-CD1 3.87Å; F91-L93 HydrophobicContact CE2-CD2 3.65Å; F91-L93 HydrophobicContact CE2-CG 4.28Å; F91-L93 HydrophobicContact CZ-CD2 4.03Å; L93-V95 HydrophobicContact CD1-CG1 3.49Å; L93-V95 VanDerWaalsContact CD1-CG1 3.49Å; L93-V95 HydrophobicContact CG-CG1 3.86Å; L93-L170 HydrophobicContact CD2-CB 3.73Å; L93-L170 HydrophobicContact CG-CB 4.22Å; L93-L170 PolarHBondContact N-O 2.87Å; L93-L170 PolarHBondContact O-N 2.87Å; L93-L190 HydrophobicContact CD1-CD1 3.83Å; L93-L190 HydrophobicContact CD2-CD1 4.14Å; L93-L190 HydrophobicContact CG-CD1 4.5Å; L93-F249 HydrophobicContact CD1-CE2 4.36Å
94	D	97.3	Very high	94.2	Very high	20 Å²	20	31 Å²	31	11%	0.107	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.9	172.6	-71.3	-60.9	0	0	0	108.9	Q79 E80 H145 K169	Q79-D94 HydrophobicContact CB-CB 4.29Å; Q79-D94 WeakPolarHBondContact CB-O 3.1Å; Q79-D94 PolarHBondContact N-O 3.23Å; E80-D94 PolarHBondContact N-O 2.93Å; E80-D94 PolarHBondContact O-N 3.44Å; D94-H145 IonicContact OD1-CD2 3.11Å; D94-H145 IonicContact OD1-CE1 2.68Å; D94-H145 PolarHBondContact OD1-CE1 3.4Å; D94-H145 IonicContact OD1-NE2 3.03Å; D94-H145 PolarHBondContact OD1-NE2 2.77Å; D94-K169 WeakPolarHBondContact OD1-CA 3.42Å; D94-K169 WeakPolarHBondContact OD1-CB 3.24Å
95	V	97.8	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.1	-175.8	-54.8	0	0	0	0	111.3	L76 W77 V78 L93 F136 R167 I168 L170	L76-V95 HydrophobicContact CD1-CB 3.72Å; L76-V95 HydrophobicContact CD1-CG1 4Å; L76-V95 HydrophobicContact CD1-CG2 3.96Å; W77-V95 CarbonylContact O-C 3.58Å; W77-V95 VanDerWaalsContact O-CA 3.26Å; W77-V95 WeakPolarHBondContact O-CA 3.03Å; V78-V95 HydrophobicContact CG2-CG1 4.41Å; L93-V95 HydrophobicContact CD1-CG1 3.49Å; L93-V95 VanDerWaalsContact CD1-CG1 3.49Å; L93-V95 HydrophobicContact CG-CG1 3.86Å; V95-F136 HydrophobicContact CG2-CZ 4.39Å; V95-R167 WeakPolarHBondContact O-CA 3.35Å; V95-I168 HydrophobicContact CG2-CB 4.33Å; V95-I168 PolarHBondContact N-O 2.86Å; V95-I168 PolarHBondContact O-N 3.18Å; V95-L170 HydrophobicContact CG1-CD1 4.42Å; V95-L170 HydrophobicContact CG2-CD1 3.36Å; V95-L170 HydrophobicContact CG2-CG 4.16Å
96	Y	97.9	Very high	94.3	Very high	52 Å²	52	31.4 Å²	31.4	20%	0.204	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.2	160	-58.6	-97.4	0	0	0	108.5	W77 Q79 N165 Y166 R167 L215	W77-Y96 PolarHBondContact N-O 3.07Å; W77-Y96 PolarHBondContact O-N 2.94Å; Q79-Y96 HydrophobicContact CB-CD2 4.32Å; Q79-Y96 HydrophobicContact CB-CE2 3.96Å; Q79-Y96 HydrophobicContact CG-CE2 4.2Å; Y96-N165 WeakPolarHBondContact CD1-OD1 3.28Å; Y96-Y166 CarbonylContact C-O 3.54Å; Y96-Y166 VanDerWaalsContact CA-O 3.24Å; Y96-Y166 WeakPolarHBondContact CA-O 3.22Å; Y96-R167 HydrophobicContact CD1-CB 3.72Å; Y96-R167 HydrophobicContact CD1-CG 3.89Å; Y96-R167 HydrophobicContact CE1-CB 3.55Å; Y96-R167 HydrophobicContact CE1-CG 3.44Å; Y96-R167 VanDerWaalsContact CE1-CG 3.44Å; Y96-R167 HydrophobicContact CE2-CG 4.38Å; Y96-R167 WeakPolarHBondContact OH-CD 3.38Å; Y96-R167 PolarHBondContact OH-NE 2.79Å; Y96-L215 HydrophobicContact CD2-CD1 3.79Å; Y96-L215 HydrophobicContact CE2-CD1 3.81Å
97	M	97.7	Very high	94.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.3	173.1	179.1	56.8	71.8	0	0	108.5	L76 F136 N165 Y166 I168 Y192	L76-M97 HydrophobicContact CB-CE 4.28Å; L76-M97 HydrophobicContact CD1-CE 3.81Å; M97-F136 HydrophobicContact CE-CE1 3.92Å; M97-F136 HydrophobicContact CE-CE2 4.18Å; M97-F136 HydrophobicContact CE-CZ 3.36Å; M97-N165 CarbonylContact O-C 3.58Å; M97-N165 WeakPolarHBondContact O-CA 3.19Å; M97-Y166 PolarHBondContact N-O 3.31Å; M97-Y166 PolarHBondContact O-N 3.03Å; M97-I168 HydrophobicContact CB-CD1 4.2Å; M97-Y192 HydrophobicContact CE-CD1 4.16Å; M97-Y192 HydrophobicContact CE-CD2 3.94Å; M97-Y192 HydrophobicContact CE-CE1 4.37Å; M97-Y192 HydrophobicContact CE-CE2 4.16Å; M97-Y192 HydrophobicContact CE-CG 3.93Å; M97-Y192 HydrophobicContact CG-CE1 3.99Å; M97-Y192 HydrophobicContact CG-CE2 3.98Å; M97-Y192 HydrophobicContact SD-CD1 4.28Å; M97-Y192 HydrophobicContact SD-CE1 4.07Å
98	T	97.5	Very high	95.2	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.043	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.4	176.8	-59	0	0	0	0	110	T74 E75 W163 V164 N165	T74-T98 WeakPolarHBondContact CA-O 2.86Å; E75-T98 PolarHBondContact N-O 3.48Å; E75-T98 VanDerWaalsContact N-O 3.08Å; E75-T98 PolarHBondContact O-N 2.85Å; T98-W163 HydrophobicContact CG2-CD2 4.34Å; T98-W163 VanDerWaalsContact CG2-CE2 3.43Å; T98-W163 HydrophobicContact CG2-CZ2 3.63Å; T98-V164 CarbonylContact C-O 3.57Å; T98-V164 VanDerWaalsContact CA-O 3.28Å; T98-V164 WeakPolarHBondContact CA-O 2.89Å; T98-N165 PolarHBondContact OG1-ND2 3.27Å
99	E	97.4	Very high	95.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.1	171.8	-63.2	176.6	170.4	0	0	108.9	V72 I73 T74 W101 P132 C134 V164 Y166 Y192	V72-E99 HydrophobicContact CG1-CB 4.19Å; V72-E99 HydrophobicContact CG1-CG 4.48Å; I73-E99 CarbonylContact O-C 3.5Å; I73-E99 WeakPolarHBondContact O-CA 3.4Å; T74-E99 HydrophobicContact CG2-CG 4.34Å; E99-W101 HydrophobicContact CB-CE3 4.23Å; E99-W101 HydrophobicContact CB-CZ3 3.96Å; E99-P132 WeakPolarHBondContact OE2-CG 3.45Å; E99-C134 WeakPolarHBondContact OE1-CB 3.28Å; E99-V164 PolarHBondContact N-O 3.49Å; E99-V164 PolarHBondContact O-N 3.43Å; E99-Y166 HydrophobicContact CG-CE2 4.32Å; E99-Y192 WeakPolarHBondContact OE1-CE1 3.5Å; E99-Y192 PolarHBondContact OE1-OH 2.04Å
100	A	97.3	Very high	95.6	Very high	3 Å²	3	27 Å²	27	3%	0.025	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.9	175.2	0	0	0	0	0	110.4	V72 I73 V162 W163	V72-A100 WeakPolarHBondContact CA-O 3.49Å; I73-A100 PolarHBondContact N-O 2.81Å; I73-A100 PolarHBondContact O-N 3.04Å; A100-V162 VanDerWaalsContact CA-O 3.3Å; A100-V162 WeakPolarHBondContact CA-O 3.33Å; A100-W163 HydrophobicContact CB-CD2 4.14Å; A100-W163 HydrophobicContact CB-CE3 3.63Å; A100-W163 HydrophobicContact CB-CZ3 3.86Å
101	W	96.3	Very high	95.5	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	165.3	176.1	68.9	93.6	0	0	0	110.9	V70 V72 E99 L126 W130 N131 P132 T161 V162 V164	V70-W101 HydrophobicContact CG1-CB 3.71Å; V70-W101 HydrophobicContact CG1-CG 4.15Å; V72-W101 HydrophobicContact CG2-CB 4.2Å; E99-W101 HydrophobicContact CB-CE3 4.23Å; E99-W101 HydrophobicContact CB-CZ3 3.96Å; W101-L126 HydrophobicContact CH2-CD1 4.42Å; W101-W130 AromaticContact CD1-CZ3 3.9Å; W101-W130 HydrophobicContact CG-CZ3 4.32Å; W101-W130 WeakPolarHBondContact CZ2-O 3.42Å; W101-W130 AromaticContact NE1-CE3 3.79Å; W101-W130 AromaticContact NE1-CZ3 3.82Å; W101-N131 HydrophobicContact CH2-CB 4.34Å; W101-N131 HydrophobicContact CZ2-CB 4.49Å; W101-P132 HydrophobicContact CE3-CG 4.36Å; W101-P132 HydrophobicContact CZ3-CG 4.31Å; W101-T161 CarbonylContact O-C 3.25Å; W101-T161 WeakPolarHBondContact O-CA 3.45Å; W101-V162 HydrophobicContact CD2-CB 4.05Å; W101-V162 HydrophobicContact CE3-CB 4.5Å; W101-V162 HydrophobicContact CH2-CB 4.29Å; W101-V162 HydrophobicContact CH2-CG1 3.74Å; W101-V162 HydrophobicContact CZ2-CB 3.78Å; W101-V162 HydrophobicContact CZ2-CG1 3.53Å; W101-V162 HydrophobicContact CZ2-CG2 4.26Å; W101-V162 HydrophobicContact CZ3-CG1 4.3Å; W101-V162 PolarHBondContact N-O 3.18Å; W101-V162 PolarHBondContact O-N 3.17Å; W101-V164 HydrophobicContact CH2-CB 4.41Å; W101-V164 HydrophobicContact CH2-CG2 3.42Å; W101-V164 VanDerWaalsContact CH2-CG2 3.42Å; W101-V164 HydrophobicContact CZ2-CG2 4.5Å; W101-V164 HydrophobicContact CZ3-CB 4.22Å; W101-V164 HydrophobicContact CZ3-CG2 3.62Å
102	S	95.3	Very high	95.3	Very high	41 Å²	41	34.8 Å²	34.8	29%	0.287	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.8	176.9	-175.2	0	0	0	0	110.7	L66	L66-S102 WeakPolarHBondContact CD1-O 3.36Å
103	D	95	Very high	95.1	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	19%	0.185	C	C	.	.			trans	-128.8	102.2	171.8	-175.2	-8.2	0	0	0	110.7	H59 P65 S105 L106 G160	H59-D103 IonicContact CE1-OD2 3.82Å; H59-D103 PolarHBondContact CE1-OD2 3.47Å; H59-D103 VanDerWaalsContact CE1-OD2 3.23Å; H59-D103 IonicContact ND1-OD2 2.8Å; P65-D103 HydrophobicContact CB-CB 3.9Å; P65-D103 HydrophobicContact CG-CB 3.88Å; D103-S105 PolarHBondContact O-N 3.03Å; D103-S105 VanDerWaalsContact O-N 3.1Å; D103-S105 VanDerWaalsContact OD1-CB 3.32Å; D103-S105 WeakPolarHBondContact OD1-CB 3.47Å; D103-S105 PolarHBondContact OD1-N 2.88Å; D103-S105 PolarHBondContact OD1-OG 2.84Å; D103-S105 PolarHBondContact OD2-OG 3.09Å; D103-L106 HydrophobicContact CB-CB 4.45Å; D103-L106 HydrophobicContact CB-CD1 3.97Å; D103-L106 HydrophobicContact CB-CG 4.07Å; D103-L106 PolarHBondContact O-N 2.92Å; D103-G160 CarbonylContact C-O 3.5Å; D103-G160 PolarHBondContact N-O 2.9Å; D103-G160 WeakPolarHBondContact O-CA 3.46Å; D103-G160 VanDerWaalsContact O-O 3.13Å
104	P	93	Very high	94.8	Very high	68 Å²	68	37.4 Å²	37.4	44%	0.442	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-59	-23	178.8	-24	32.2	0	0	0	114.4	L66 L106 A107	L66-P104 HydrophobicContact CD2-CG 3.37Å; L66-P104 HydrophobicContact CG-CG 4.05Å; P104-L106 PolarHBondContact O-N 3.11Å; P104-A107 WeakPolarHBondContact O-CB 3.31Å; P104-A107 PolarHBondContact O-N 2.91Å
105	S	91.4	Very high	94.6	Very high	58 Å²	58	41.8 Å²	41.8	41%	0.406	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-71.7	-14.2	177.1	73.6	0	0	0	0	113	H59 D103	H59-S105 PolarHBondContact CE1-OG 3.37Å; H59-S105 PolarHBondContact ND1-OG 2.99Å; D103-S105 PolarHBondContact O-N 3.03Å; D103-S105 VanDerWaalsContact O-N 3.1Å; D103-S105 VanDerWaalsContact OD1-CB 3.32Å; D103-S105 WeakPolarHBondContact OD1-CB 3.47Å; D103-S105 PolarHBondContact OD1-N 2.88Å; D103-S105 PolarHBondContact OD1-OG 2.84Å; D103-S105 PolarHBondContact OD2-OG 3.09Å
106	L	93.9	Very high	94.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-100.6	1.6	174.8	-56.6	179.7	0	0	0	112.2	I55 H59 D103 P104 F108 L129 I156 V162	I55-L106 HydrophobicContact CG2-CD2 3.41Å; I55-L106 VanDerWaalsContact CG2-CD2 3.41Å; H59-L106 HydrophobicContact CB-CD2 4.05Å; H59-L106 WeakPolarHBondContact ND1-CD2 3.34Å; D103-L106 HydrophobicContact CB-CB 4.45Å; D103-L106 HydrophobicContact CB-CD1 3.97Å; D103-L106 HydrophobicContact CB-CG 4.07Å; D103-L106 PolarHBondContact O-N 2.92Å; P104-L106 PolarHBondContact O-N 3.11Å; L106-F108 WeakPolarHBondContact O-CD1 3.48Å; L106-F108 PolarHBondContact O-N 3.49Å; L106-L129 HydrophobicContact CD1-CD1 4.47Å; L106-L129 HydrophobicContact CD2-CD2 3.87Å; L106-I156 HydrophobicContact CB-CG2 4.17Å; L106-I156 HydrophobicContact CD1-CD1 4.46Å; L106-V162 HydrophobicContact CD1-CG2 3.4Å
107	A	94.1	Very high	94.3	Very high	27 Å²	27	49.7 Å²	49.7	22%	0.223	26%	0.257	C	S	.	.			trans	-71	128.1	176.4	0	0	0	0	0	110.4	P104 H110	P104-A107 WeakPolarHBondContact O-CB 3.31Å; P104-A107 PolarHBondContact O-N 2.91Å; A107-H110 PolarHBondContact O-CE1 3.42Å; A107-H110 PolarHBondContact O-ND1 3.28Å
108	F	94.6	Very high	94.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.			trans	-126.3	8.8	-173	60.6	-97.8	0	0	0	113.6	I51 I55 L106 H110 L111 P113 L118 I156 Y157 S158	I51-F108 HydrophobicContact CD1-CD2 4.36Å; I51-F108 HydrophobicContact CG2-CB 3.58Å; I51-F108 HydrophobicContact CG2-CD1 4.25Å; I51-F108 HydrophobicContact CG2-CD2 3.95Å; I51-F108 HydrophobicContact CG2-CG 3.67Å; I55-F108 HydrophobicContact CD1-CB 4.19Å; I55-F108 HydrophobicContact CD1-CD1 3.96Å; I55-F108 HydrophobicContact CD1-CG 4.4Å; L106-F108 WeakPolarHBondContact O-CD1 3.48Å; L106-F108 PolarHBondContact O-N 3.49Å; F108-H110 PolarHBondContact O-N 2.95Å; F108-H110 VanDerWaalsContact O-N 3.15Å; F108-L111 HydrophobicContact CB-CD1 4.2Å; F108-L111 WeakPolarHBondContact O-CB 3.38Å; F108-L111 PolarHBondContact O-N 3.17Å; F108-P113 HydrophobicContact CD2-CB 3.7Å; F108-P113 HydrophobicContact CD2-CG 3.79Å; F108-P113 HydrophobicContact CE2-CB 3.7Å; F108-P113 HydrophobicContact CE2-CG 3.84Å; F108-L118 HydrophobicContact CD1-CD1 4.01Å; F108-L118 HydrophobicContact CE1-CD1 3.62Å; F108-L118 HydrophobicContact CE1-CG 3.96Å; F108-L118 HydrophobicContact CE2-CD1 4.19Å; F108-L118 HydrophobicContact CE2-CG 4.19Å; F108-L118 HydrophobicContact CG-CD1 4.45Å; F108-L118 HydrophobicContact CZ-CD1 3.73Å; F108-L118 HydrophobicContact CZ-CG 3.63Å; F108-I156 HydrophobicContact CD1-CG2 4.42Å; F108-I156 HydrophobicContact CE1-CB 4.46Å; F108-I156 HydrophobicContact CE1-CG2 4.01Å; F108-Y157 WeakPolarHBondContact CE1-O 3.42Å; F108-S158 PolarHBondContact N-O 3.15Å
109	E	93.7	Very high	93.9	Very high	104 Å²	104	53.3 Å²	53.3	49%	0.486	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-52.4	-36.2	175.6	-167.8	69.2	-150.5	0	0	112.3	L111 H112 S158	E109-L111 PolarHBondContact O-N 2.89Å; E109-H112 PolarHBondContact O-N 2.7Å; E109-S158 PolarHBondContact N-O 3.45Å; E109-S158 WeakPolarHBondContact OE2-CB 3.19Å; E109-S158 PolarHBondContact OE2-OG 3.46Å
110	H	93	Very high	93.7	Very high	131 Å²	131	55 Å²	55	61%	0.606	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-67.4	-12.8	179	68.5	-85	0	0	0	114.5	A107 F108 H112	A107-H110 PolarHBondContact O-CE1 3.42Å; A107-H110 PolarHBondContact O-ND1 3.28Å; F108-H110 PolarHBondContact O-N 2.95Å; F108-H110 VanDerWaalsContact O-N 3.15Å; H110-H112 VanDerWaalsContact C-N 3.33Å
111	L	91.7	Very high	93.5	Very high	40 Å²	40	58.9 Å²	58.9	21%	0.209	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-91.6	8.9	177.2	-60.2	175.9	0	0	0	112.8	T46 I51 E54 F108 E109	T46-L111 WeakPolarHBondContact CB-O 3.4Å; T46-L111 PolarHBondContact OG1-O 2.89Å; I51-L111 HydrophobicContact CG1-CB 4.42Å; I51-L111 HydrophobicContact CG1-CD1 4.35Å; I51-L111 HydrophobicContact CG2-CD1 4.25Å; E54-L111 HydrophobicContact CB-CD1 4.24Å; E54-L111 HydrophobicContact CG-CD1 4.05Å; E54-L111 HydrophobicContact CG-CD2 4.47Å; F108-L111 HydrophobicContact CB-CD1 4.2Å; F108-L111 WeakPolarHBondContact O-CB 3.38Å; F108-L111 PolarHBondContact O-N 3.17Å; E109-L111 PolarHBondContact O-N 2.89Å
112	H	92.2	Very high	93.2	Very high	142 Å²	142	59 Å²	59	66%	0.657	31%	0.313	S	S	*	.			trans	52.1	62.1	-177.5	-60.5	-70.3	0	0	0	113.1	T46 E109 H110	T46-H112 PolarHBondContact N-O 3.33Å; E109-H112 PolarHBondContact O-N 2.7Å; H110-H112 VanDerWaalsContact C-N 3.33Å
113	P	92.3	Very high	92.9	Very high	23 Å²	23	57.8 Å²	57.8	15%	0.149	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-71.1	146.9	-174.2	32.8	-38	0	0	0	112.5	I51 F108 K115	I51-P113 HydrophobicContact CD1-CB 3.62Å; F108-P113 HydrophobicContact CD2-CB 3.7Å; F108-P113 HydrophobicContact CD2-CG 3.79Å; F108-P113 HydrophobicContact CE2-CB 3.7Å; F108-P113 HydrophobicContact CE2-CG 3.84Å; P113-K115 VanDerWaalsContact C-N 3.25Å; P113-K115 WeakPolarHBondContact CB-O 3.32Å; P113-K115 PolarHBondContact O-N 3.32Å
114	C	92.4	Very high	92.6	Very high	65 Å²	65	62 Å²	62	44%	0.439	33%	0.334	S	S	.	.	S	Bend	trans	-68.5	-25.5	173.5	-56.9	0	0	0	0	112.9	C45 T46	C45-C114 VanDerWaalsContact C-SG 3.59Å; C45-C114 HydrophobicContact CB-CB 3.89Å; C45-C114 WeakPolarHBondContact CB-SG 3.3Å; C45-C114 WeakPolarHBondContact SG-CB 3.44Å; C45-C114 CovalentContact SG-SG 2.04Å; C45-C114 PolarHBondContact SG-SG 3.1Å; T46-C114 PolarHBondContact O-N 3.2Å; T46-C114 PolarHBondContact O-SG 3.11Å
115	K	92.7	Very high	92.6	Very high	112 Å²	112	59.7 Å²	59.7	49%	0.487	32%	0.318	S	S	.	.	S	Bend	trans	-132.2	150	-179.6	-63.3	174	-167.6	151.8	0	110.4	D48 P113 N117	D48-K115 IonicContact OD2-NZ 2.84Å; D48-K115 PolarHBondContact OD2-NZ 2.7Å; P113-K115 VanDerWaalsContact C-N 3.25Å; P113-K115 WeakPolarHBondContact CB-O 3.32Å; P113-K115 PolarHBondContact O-N 3.32Å; K115-N117 VanDerWaalsContact C-N 3.31Å; K115-N117 PolarHBondContact O-N 3.25Å
116	R	93.2	Very high	92.7	Very high	153 Å²	153	57.5 Å²	57.5	58%	0.577	30%	0.301	S	S	*	.	S	Bend	trans	-80.3	-8.9	178.1	-66.6	-176.2	178.2	154.5	-0.3	114.1	S158	R116-S158 WeakPolarHBondContact O-CB 3.46Å; R116-S158 PolarHBondContact O-N 3Å
117	N	95.3	Very high	92.5	Very high	64 Å²	64	65.1 Å²	65.1	34%	0.342	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.3	-179.3	54.8	-4.1	0	0	0	111.4	K115 M155 I156 Y157	K115-N117 VanDerWaalsContact C-N 3.31Å; K115-N117 PolarHBondContact O-N 3.25Å; N117-M155 HydrophobicContact CB-CE 4.13Å; N117-M155 HydrophobicContact CB-CG 4.22Å; N117-M155 HydrophobicContact CB-SD 4.02Å; N117-I156 WeakPolarHBondContact CA-O 3.19Å; N117-Y157 HydrophobicContact CB-CD1 4.14Å; N117-Y157 HydrophobicContact CB-CE1 4.3Å
118	L	94.2	Very high	92.4	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.6	177	-62.7	174.3	0	0	0	108.8	D48 I51 V52 I55 F108 L120 M155 I156	D48-L118 HydrophobicContact CB-CD2 3.74Å; I51-L118 HydrophobicContact CB-CD1 4.42Å; I51-L118 HydrophobicContact CG2-CD1 3.7Å; V52-L118 HydrophobicContact CG2-CD1 4.3Å; I55-L118 HydrophobicContact CD1-CD1 4.46Å; F108-L118 HydrophobicContact CD1-CD1 4.01Å; F108-L118 HydrophobicContact CE1-CD1 3.62Å; F108-L118 HydrophobicContact CE1-CG 3.96Å; F108-L118 HydrophobicContact CE2-CD1 4.19Å; F108-L118 HydrophobicContact CE2-CG 4.19Å; F108-L118 HydrophobicContact CG-CD1 4.45Å; F108-L118 HydrophobicContact CZ-CD1 3.73Å; F108-L118 HydrophobicContact CZ-CG 3.63Å; L118-L120 HydrophobicContact CB-CD1 4.16Å; L118-L120 HydrophobicContact CB-CD2 4.17Å; L118-L120 HydrophobicContact CB-CG 4.08Å; L118-M155 VanDerWaalsContact O-CA 3.28Å; L118-M155 WeakPolarHBondContact O-CA 3.39Å; L118-I156 PolarHBondContact N-O 2.95Å; L118-I156 PolarHBondContact O-N 2.86Å
119	S	94.2	Very high	92.4	Very high	83 Å²	83	70.4 Å²	70.4	58%	0.58	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	116.2	169.9	-60.7	0	0	0	0	108.7	M155	S119-M155 VanDerWaalsContact OG-CE 3.28Å; S119-M155 WeakPolarHBondContact OG-CE 3.04Å
120	L	92.9	Very high	92.4	Very high	35 Å²	35	65.6 Å²	65.6	18%	0.183	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	158.7	-169.5	-56.9	170.7	0	0	0	110.8	V52 L118 G122 L125 L154 I156	V52-L120 HydrophobicContact CG2-CD1 4.25Å; V52-L120 HydrophobicContact CG2-CD2 3.49Å; V52-L120 VanDerWaalsContact CG2-CD2 3.49Å; L118-L120 HydrophobicContact CB-CD1 4.16Å; L118-L120 HydrophobicContact CB-CD2 4.17Å; L118-L120 HydrophobicContact CB-CG 4.08Å; L120-G122 PolarHBondContact O-N 3.01Å; L120-L125 HydrophobicContact CB-CD2 3.66Å; L120-L125 HydrophobicContact CD1-CD2 3.36Å; L120-L125 HydrophobicContact CD2-CD2 4.35Å; L120-L125 HydrophobicContact CG-CD2 3.95Å; L120-L154 HydrophobicContact CB-CD2 4.14Å; L120-L154 HydrophobicContact CB-CG 4.29Å; L120-L154 PolarHBondContact N-O 2.83Å; L120-I156 HydrophobicContact CD1-CD1 3.64Å; L120-I156 HydrophobicContact CD1-CG1 4.03Å
121	D	91.5	Very high	92.4	Very high	84 Å²	84	61.2 Å²	61.2	45%	0.449	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	98.7	172.6	173.1	24.9	0	0	0	110.5	G123 T124 L125	D121-G123 PolarHBondContact O-N 3.16Å; D121-G123 PolarHBondContact OD1-N 3.24Å; D121-T124 PolarHBondContact O-N 2.8Å; D121-T124 VanDerWaalsContact OD2-CB 3.22Å; D121-T124 WeakPolarHBondContact OD2-CB 3.48Å; D121-T124 PolarHBondContact OD2-OG1 3.07Å; D121-L125 WeakPolarHBondContact O-CB 3.46Å; D121-L125 PolarHBondContact O-N 2.81Å
122	G	90.5	Very high	92.6	Very high	3 Å²	3	59.3 Å²	59.3	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-64.8	-23.7	179.1	0	0	0	0	0	113.9	L120 T124 L126 V152	L120-G122 PolarHBondContact O-N 3.01Å; G122-T124 PolarHBondContact O-N 2.84Å; G122-L126 WeakPolarHBondContact O-CB 3.27Å; G122-L126 PolarHBondContact O-N 2.85Å; G122-V152 WeakPolarHBondContact CA-O 3.33Å
123	G	89.2	Confident	92.6	Very high	16 Å²	16	53.8 Å²	53.8	17%	0.165	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-40	179.5	0	0	0	0	0	113.2	D121 T150	D121-G123 PolarHBondContact O-N 3.16Å; D121-G123 PolarHBondContact OD1-N 3.24Å; G123-T150 VanDerWaalsContact CA-OG1 3.24Å; G123-T150 WeakPolarHBondContact CA-OG1 3.21Å
124	T	89.5	Confident	92.8	Very high	94 Å²	94	53.7 Å²	53.7	58%	0.577	27%	0.27	S	S	*	.	H	α-helix	trans	-98	-46.8	-176.9	-50.9	0	0	0	0	111.7	D121 G122	D121-T124 PolarHBondContact O-N 2.8Å; D121-T124 VanDerWaalsContact OD2-CB 3.22Å; D121-T124 WeakPolarHBondContact OD2-CB 3.48Å; D121-T124 PolarHBondContact OD2-OG1 3.07Å; G122-T124 PolarHBondContact O-N 2.84Å
125	L	92.3	Very high	93	Very high	18 Å²	18	51.8 Å²	51.8	9%	0.094	26%	0.257	C	S	.	.	H	α-helix	trans	-77.3	-34.8	-168.6	-169.1	65.1	0	0	0	113	V52 L56 L120 D121 R127 R128 L129 L154	V52-L125 HydrophobicContact CG1-CD2 4.48Å; L56-L125 HydrophobicContact CD1-CD1 3.73Å; L56-L125 HydrophobicContact CD2-CD1 3.53Å; L56-L125 HydrophobicContact CG-CD1 4.08Å; L120-L125 HydrophobicContact CB-CD2 3.66Å; L120-L125 HydrophobicContact CD1-CD2 3.36Å; L120-L125 HydrophobicContact CD2-CD2 4.35Å; L120-L125 HydrophobicContact CG-CD2 3.95Å; D121-L125 WeakPolarHBondContact O-CB 3.46Å; D121-L125 PolarHBondContact O-N 2.81Å; L125-R127 PolarHBondContact O-N 3.02Å; L125-R127 VanDerWaalsContact O-N 3.16Å; L125-R128 WeakPolarHBondContact O-CA 3.47Å; L125-R128 WeakPolarHBondContact O-CB 3.3Å; L125-R128 PolarHBondContact O-N 3.22Å; L125-L129 HydrophobicContact CG-CD1 4.39Å; L125-L129 PolarHBondContact O-N 2.97Å; L125-L154 HydrophobicContact CB-CD2 4.09Å; L125-L154 HydrophobicContact CD2-CD2 4.04Å; L125-L154 HydrophobicContact CG-CD2 4.25Å
126	L	92.9	Very high	93.2	Very high	13 Å²	13	47 Å²	47	7%	0.068	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-60.1	-31.8	-176.4	-173.1	65.8	0	0	0	112.6	W101 G122 R128 L129 N131 V152 L154 V164 Y166	W101-L126 HydrophobicContact CH2-CD1 4.42Å; G122-L126 WeakPolarHBondContact O-CB 3.27Å; G122-L126 PolarHBondContact O-N 2.85Å; L126-R128 PolarHBondContact O-N 2.85Å; L126-L129 PolarHBondContact O-N 2.82Å; L126-L129 VanDerWaalsContact O-O 3.1Å; L126-N131 HydrophobicContact CD1-CB 4.45Å; L126-V152 HydrophobicContact CD2-CG1 3.99Å; L126-L154 HydrophobicContact CB-CD2 4.49Å; L126-L154 HydrophobicContact CD1-CD1 4.28Å; L126-V164 HydrophobicContact CD1-CG2 3.85Å; L126-V164 HydrophobicContact CD2-CG1 3.93Å; L126-Y166 HydrophobicContact CD2-CE1 3.74Å; L126-Y166 WeakPolarHBondContact CD2-OH 3.25Å
127	R	90.7	Very high	93.4	Very high	159 Å²	159	41.5 Å²	41.5	60%	0.6	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-66.4	-17.7	175.8	-63	-179.9	-178.8	-87.8	-3.3	113.6	L125	L125-R127 PolarHBondContact O-N 3.02Å; L125-R127 VanDerWaalsContact O-N 3.16Å
128	R	92.2	Very high	93.4	Very high	136 Å²	136	40.1 Å²	40.1	51%	0.513	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-96.5	-10	178.4	-60.7	179.1	62.9	-173.4	-2.7	112.5	L56 R61 L125 L126	L56-R128 HydrophobicContact CD2-CB 4.04Å; R61-R128 WeakPolarHBondContact CB-O 3.47Å; L125-R128 WeakPolarHBondContact O-CA 3.47Å; L125-R128 WeakPolarHBondContact O-CB 3.3Å; L125-R128 PolarHBondContact O-N 3.22Å; L126-R128 PolarHBondContact O-N 2.85Å
129	L	93.6	Very high	93.5	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	22%	0.222	C	C	.	.	S	Bend	trans	-103.4	154.5	177.2	-56.5	179.1	0	0	0	109.9	L56 L106 L125 L126 L154 I156	L56-L129 HydrophobicContact CD2-CD2 4.3Å; L106-L129 HydrophobicContact CD1-CD1 4.47Å; L106-L129 HydrophobicContact CD2-CD2 3.87Å; L125-L129 HydrophobicContact CG-CD1 4.39Å; L125-L129 PolarHBondContact O-N 2.97Å; L126-L129 PolarHBondContact O-N 2.82Å; L126-L129 VanDerWaalsContact O-O 3.1Å; L129-L154 HydrophobicContact CD1-CD2 4.06Å; L129-I156 HydrophobicContact CD1-CD1 3.86Å
130	W	94.1	Very high	93.5	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.008	22%	0.216	C	C	.	.			trans	-62.4	139.9	165.9	-177.3	91.3	0	0	0	109.6	H59 R61 L64 P65 V70 W101 P132 Y197 V202	H59-W130 PolarHBondContact NE2-N 2.93Å; H59-W130 VanDerWaalsContact NE2-N 3.16Å; R61-W130 WeakPolarHBondContact O-CA 3.47Å; R61-W130 WeakPolarHBondContact O-CB 3.49Å; R61-W130 VanDerWaalsContact O-CD1 3.23Å; L64-W130 HydrophobicContact CG-CZ2 4.02Å; P65-W130 HydrophobicContact CG-CD2 3.87Å; P65-W130 HydrophobicContact CG-CE3 3.52Å; P65-W130 HydrophobicContact CG-CG 4.41Å; P65-W130 HydrophobicContact CG-CZ3 3.92Å; V70-W130 HydrophobicContact CB-CH2 3.81Å; V70-W130 HydrophobicContact CB-CZ3 4.3Å; V70-W130 HydrophobicContact CG1-CH2 3.94Å; V70-W130 HydrophobicContact CG1-CZ3 3.96Å; V70-W130 HydrophobicContact CG2-CH2 3.66Å; V70-W130 HydrophobicContact CG2-CZ2 4.14Å; V70-W130 HydrophobicContact CG2-CZ3 4.08Å; W101-W130 AromaticContact CD1-CZ3 3.9Å; W101-W130 HydrophobicContact CG-CZ3 4.32Å; W101-W130 WeakPolarHBondContact CZ2-O 3.42Å; W101-W130 AromaticContact NE1-CE3 3.79Å; W101-W130 AromaticContact NE1-CZ3 3.82Å; W130-P132 HydrophobicContact CH2-CB 4.08Å; W130-P132 HydrophobicContact CZ3-CB 4.45Å; W130-Y197 HydrophobicContact CZ2-CD2 4.39Å; W130-Y197 HydrophobicContact CZ2-CE2 4Å; W130-Y197 AromaticContact NE1-CZ 3.54Å; W130-Y197 PolarHBondContact NE1-OH 2.86Å; W130-V202 HydrophobicContact CH2-CG2 4.01Å; W130-V202 HydrophobicContact CZ2-CG2 4.01Å
131	N	93.9	Very high	93.6	Very high	39 Å²	39	44 Å²	44	21%	0.209	23%	0.229	C	C	.	.			trans	-143	155	175.6	68.3	81.4	0	0	0	109.5	W101 L126 S133	W101-N131 HydrophobicContact CH2-CB 4.34Å; W101-N131 HydrophobicContact CZ2-CB 4.49Å; L126-N131 HydrophobicContact CD1-CB 4.45Å; N131-S133 PolarHBondContact O-N 2.87Å; N131-S133 VanDerWaalsContact O-N 3.15Å; N131-S133 VanDerWaalsContact OD1-CA 3.3Å; N131-S133 WeakPolarHBondContact OD1-CA 3.46Å; N131-S133 PolarHBondContact OD1-N 3.1Å; N131-S133 PolarHBondContact OD1-OG 2.92Å
132	P	94.6	Very high	93.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.			trans	-73.4	-2.8	-176.4	31.1	-37.1	0	0	0	114.2	V72 E99 W101 W130 C134 S194 Y197 V202	V72-P132 HydrophobicContact CG1-CG 4.14Å; V72-P132 HydrophobicContact CG2-CB 3.77Å; V72-P132 HydrophobicContact CG2-CG 4.08Å; E99-P132 WeakPolarHBondContact OE2-CG 3.45Å; W101-P132 HydrophobicContact CE3-CG 4.36Å; W101-P132 HydrophobicContact CZ3-CG 4.31Å; W130-P132 HydrophobicContact CH2-CB 4.08Å; W130-P132 HydrophobicContact CZ3-CB 4.45Å; P132-C134 VanDerWaalsContact C-N 3.34Å; P132-C134 PolarHBondContact O-N 3.42Å; P132-S194 PolarHBondContact O-OG 3.49Å; P132-Y197 WeakPolarHBondContact O-CD2 3.26Å; P132-V202 HydrophobicContact CB-CG1 4.07Å; P132-V202 HydrophobicContact CB-CG2 4.45Å
133	S	93.3	Very high	94.2	Very high	27 Å²	27	45.2 Å²	45.2	19%	0.189	25%	0.248	C	C	.	.			trans	52.5	47.2	175	-62.6	0	0	0	0	113.3	N131 F195	N131-S133 PolarHBondContact O-N 2.87Å; N131-S133 VanDerWaalsContact O-N 3.15Å; N131-S133 VanDerWaalsContact OD1-CA 3.3Å; N131-S133 WeakPolarHBondContact OD1-CA 3.46Å; N131-S133 PolarHBondContact OD1-N 3.1Å; N131-S133 PolarHBondContact OD1-OG 2.92Å; S133-F195 WeakPolarHBondContact O-CB 3.08Å; S133-F195 PolarHBondContact O-N 2.83Å
134	C	96.2	Very high	94.5	Very high	20 Å²	20	48 Å²	48	14%	0.135	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	151	-179.9	-52.9	0	0	0	0	112.2	E99 P132 Y192 E193 L204	E99-C134 WeakPolarHBondContact OE1-CB 3.28Å; P132-C134 VanDerWaalsContact C-N 3.34Å; P132-C134 PolarHBondContact O-N 3.42Å; C134-Y192 HydrophobicContact CB-CD1 4.03Å; C134-Y192 HydrophobicContact CB-CE1 3.24Å; C134-Y192 HydrophobicContact CB-CE2 4.28Å; C134-Y192 VanDerWaalsContact CB-CZ 3.4Å; C134-Y192 WeakPolarHBondContact CB-OH 3.47Å; C134-E193 CarbonylContact C-O 3.56Å; C134-E193 WeakPolarHBondContact CA-O 3.21Å; C134-L204 VanDerWaalsContact SG-CD2 3.55Å
135	C	96.1	Very high	94.8	Very high	26 Å²	26	45.5 Å²	45.5	18%	0.176	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	167.6	179.1	68.7	0	0	0	0	111.8	C12 V137 Y192 E193	C12-C135 VanDerWaalsContact SG-SG 3.67Å; C135-V137 PolarHBondContact O-N 2.97Å; C135-Y192 VanDerWaalsContact C-CD2 3.48Å; C135-Y192 WeakPolarHBondContact O-CA 3.49Å; C135-Y192 WeakPolarHBondContact O-CD2 3.46Å; C135-E193 PolarHBondContact N-O 2.82Å; C135-E193 PolarHBondContact O-N 2.82Å
136	F	97.6	Very high	95	Very high	12 Å²	12	53.8 Å²	53.8	5%	0.053	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	92.7	171.9	-68.5	-82.2	0	0	0	110.4	L76 V95 M97 N138 S139 I168 L170 L190 T191 Y192	L76-F136 HydrophobicContact CD1-CZ 4.44Å; V95-F136 HydrophobicContact CG2-CZ 4.39Å; M97-F136 HydrophobicContact CE-CE1 3.92Å; M97-F136 HydrophobicContact CE-CE2 4.18Å; M97-F136 HydrophobicContact CE-CZ 3.36Å; F136-N138 VanDerWaalsContact C-N 3.28Å; F136-N138 PolarHBondContact O-N 2.96Å; F136-S139 VanDerWaalsContact O-CB 3.32Å; F136-S139 WeakPolarHBondContact O-CB 3.31Å; F136-S139 PolarHBondContact O-N 2.88Å; F136-S139 VanDerWaalsContact O-N 3.09Å; F136-S139 PolarHBondContact O-OG 3.16Å; F136-I168 HydrophobicContact CE2-CD1 4.02Å; F136-L170 HydrophobicContact CB-CD2 4.44Å; F136-L170 HydrophobicContact CD1-CD1 4.29Å; F136-L170 HydrophobicContact CD2-CD1 3.64Å; F136-L170 HydrophobicContact CD2-CD2 3.58Å; F136-L170 HydrophobicContact CD2-CG 4.27Å; F136-L170 HydrophobicContact CE1-CD1 4.03Å; F136-L170 HydrophobicContact CE2-CD1 3.35Å; F136-L170 HydrophobicContact CE2-CD2 4.04Å; F136-L170 HydrophobicContact CE2-CG 4.29Å; F136-L170 HydrophobicContact CG-CD1 4.08Å; F136-L170 HydrophobicContact CG-CD2 4.13Å; F136-L170 HydrophobicContact CZ-CD1 3.52Å; F136-L190 HydrophobicContact CD1-CB 3.84Å; F136-L190 HydrophobicContact CD1-CD1 4.42Å; F136-L190 HydrophobicContact CD1-CD2 4.37Å; F136-L190 HydrophobicContact CD1-CG 4.43Å; F136-L190 HydrophobicContact CE1-CB 3.96Å; F136-L190 HydrophobicContact CE1-CD1 4.13Å; F136-T191 CarbonylContact C-O 3.45Å; F136-T191 VanDerWaalsContact CA-O 3.25Å; F136-T191 WeakPolarHBondContact CA-O 3.34Å; F136-Y192 AromaticContact CD1-CD2 3.74Å; F136-Y192 HydrophobicContact CD1-CD2 3.74Å; F136-Y192 AromaticContact CD2-CD2 3.77Å; F136-Y192 HydrophobicContact CD2-CD2 3.77Å; F136-Y192 AromaticContact CD2-CE2 3.89Å; F136-Y192 HydrophobicContact CD2-CE2 3.89Å; F136-Y192 AromaticContact CE1-CD2 3.73Å; F136-Y192 HydrophobicContact CE1-CD2 3.73Å; F136-Y192 HydrophobicContact CE1-CG 4.36Å; F136-Y192 AromaticContact CE2-CD2 3.73Å; F136-Y192 HydrophobicContact CE2-CD2 3.73Å; F136-Y192 AromaticContact CE2-CE2 3.75Å; F136-Y192 HydrophobicContact CE2-CE2 3.75Å; F136-Y192 AromaticContact CG-CD2 3.8Å; F136-Y192 HydrophobicContact CG-CD2 3.8Å; F136-Y192 HydrophobicContact CG-CE2 4.36Å; F136-Y192 AromaticContact CZ-CD2 3.75Å; F136-Y192 HydrophobicContact CZ-CD2 3.75Å; F136-Y192 HydrophobicContact CZ-CE2 4.15Å
137	V	96.1	Very high	94.9	Very high	37 Å²	37	57.3 Å²	57.3	22%	0.224	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.5	-170.7	-65.9	0	0	0	0	113.8	C135 T191 E193	C135-V137 PolarHBondContact O-N 2.97Å; V137-T191 HydrophobicContact CG2-CG2 3.61Å; V137-T191 PolarHBondContact N-O 2.91Å; V137-E193 HydrophobicContact CG1-CB 3.84Å; V137-E193 HydrophobicContact CG2-CB 4.41Å
138	N	95.7	Very high	94.9	Very high	34 Å²	34	55.7 Å²	55.7	18%	0.182	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	3.5	178.9	76.3	-30.6	0	0	0	113.2	F136 P173 F189 L190 T191	F136-N138 VanDerWaalsContact C-N 3.28Å; F136-N138 PolarHBondContact O-N 2.96Å; N138-P173 HydrophobicContact CB-CG 4.4Å; N138-P173 WeakPolarHBondContact ND2-CG 3.45Å; N138-P173 VanDerWaalsContact O-CD 3.28Å; N138-P173 WeakPolarHBondContact O-CD 3.3Å; N138-F189 WeakPolarHBondContact ND2-CD2 3.14Å; N138-F189 WeakPolarHBondContact ND2-CE2 3.3Å; N138-F189 PolarHBondContact ND2-O 3.49Å; N138-L190 WeakPolarHBondContact OD1-CA 3.14Å; N138-T191 PolarHBondContact OD1-N 3.23Å
139	S	96.2	Very high	94.9	Very high	31 Å²	31	55.8 Å²	55.8	22%	0.217	31%	0.31	C	S	.	.			trans	-66.7	142.3	178.5	66.4	0	0	0	0	111.3	F136	F136-S139 VanDerWaalsContact O-CB 3.32Å; F136-S139 WeakPolarHBondContact O-CB 3.31Å; F136-S139 PolarHBondContact O-N 2.88Å; F136-S139 VanDerWaalsContact O-N 3.09Å; F136-S139 PolarHBondContact O-OG 3.16Å
140	K	94.2	Very high	95	Very high	103 Å²	103	57.6 Å²	57.6	45%	0.448	32%	0.321	S	S	.	.	S	Bend	trans	-80.3	-34.4	171	-70.6	178.9	168.5	177.7	0	111.7	R88 S89 E90 T171	R88-K140 PolarHBondContact O-NZ 3.47Å; S89-K140 PolarHBondContact O-NZ 2.94Å; E90-K140 HydrophobicContact CB-CD 3.99Å; E90-K140 WeakPolarHBondContact OE2-CD 3.41Å; E90-K140 IonicContact OE2-NZ 3.52Å; E90-K140 PolarHBondContact OE2-NZ 3.06Å; K140-T171 HydrophobicContact CB-CG2 4.23Å; K140-T171 PolarHBondContact N-O 2.88Å
141	S	96.1	Very high	95.1	Very high	66 Å²	66	59.2 Å²	59.2	46%	0.462	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	139.6	175.8	177.3	0	0	0	0	108.9	T171	S141-T171 PolarHBondContact N-O 2.85Å; S141-T171 PolarHBondContact O-N 2.85Å
142	A	97.1	Very high	95.2	Very high	56 Å²	56	58.2 Å²	58.2	46%	0.463	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	126.5	176	0	0	0	0	0	109.3	I168 K169 L170	A142-I168 HydrophobicContact CB-CG2 4.43Å; A142-K169 WeakPolarHBondContact CA-O 3.5Å; A142-L170 HydrophobicContact CB-CD2 3.49Å; A142-L170 VanDerWaalsContact CB-CD2 3.49Å
143	S	96.6	Very high	95.2	Very high	58 Å²	58	62.7 Å²	62.7	41%	0.406	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	129.4	178.4	62.4	0	0	0	0	111.1	K169	S143-K169 PolarHBondContact N-O 2.86Å; S143-K169 PolarHBondContact O-N 2.82Å
144	I	96.6	Very high	95.4	Very high	73 Å²	73	61.4 Å²	61.4	37%	0.374	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	132.9	173.4	-59.4	171.6	0	0	0	108.9	V152 Y166 R167 I168	I144-V152 HydrophobicContact CD1-CG2 4.35Å; I144-V152 HydrophobicContact CG2-CG2 3.95Å; I144-Y166 HydrophobicContact CD1-CD1 4.26Å; I144-R167 WeakPolarHBondContact CA-O 3.21Å; I144-I168 HydrophobicContact CG1-CG1 4.38Å
145	H	95.7	Very high	95.4	Very high	42 Å²	42	61.4 Å²	61.4	19%	0.194	33%	0.334	C	S	.	.			trans	-60.8	148.7	176.8	-82.3	-95.1	0	0	0	112	D94 N151 R167	D94-H145 IonicContact OD1-CD2 3.11Å; D94-H145 IonicContact OD1-CE1 2.68Å; D94-H145 PolarHBondContact OD1-CE1 3.4Å; D94-H145 IonicContact OD1-NE2 3.03Å; D94-H145 PolarHBondContact OD1-NE2 2.77Å; H145-N151 HydrophobicContact CB-CB 4.09Å; H145-N151 WeakPolarHBondContact O-CB 3.47Å; H145-N151 PolarHBondContact O-N 2.53Å; H145-N151 PolarHBondContact O-OD1 2.81Å; H145-R167 HydrophobicContact CB-CB 4.26Å; H145-R167 HydrophobicContact CB-CG 4.08Å; H145-R167 PolarHBondContact N-O 2.94Å
146	R	94.9	Very high	95.5	Very high	192 Å²	192	60.2 Å²	60.2	73%	0.725	33%	0.326	S	S	*	.	B	Isolated β-bridge	trans	-136.8	116.2	175.5	-57.5	-174.2	-178.3	173.2	-0.5	111	F149 T150	R146-F149 CarbonylContact C-O 3.55Å; R146-F149 WeakPolarHBondContact CA-O 3.33Å; R146-T150 HydrophobicContact CG-CG2 3.98Å
147	S	91.6	Very high	95.4	Very high	88 Å²	88	63.1 Å²	63.1	62%	0.615	34%	0.337	S	S	*	.	S	Bend	trans	-169.4	110	171.4	-177.3	0	0	0	0	111.7	F149 N151	S147-F149 VanDerWaalsContact C-N 3.29Å; S147-F149 PolarHBondContact N-O 2.91Å; S147-N151 PolarHBondContact N-OD1 3.05Å
148	P	90.9	Very high	95.4	Very high	124 Å²	124	62 Å²	62	81%	0.805	33%	0.331	S	S	*	.	S	Bend	cis	-76.8	-9.2	-18.5	31.9	-32.8	0	0	0	113.3
149	F	92.9	Very high	95.4	Very high	138 Å²	138	64.7 Å²	64.7	61%	0.605	35%	0.345	S	S	*	.	S	Bend	trans	-117.6	175.9	177.5	40.2	-102.4	0	0	0	110.5	R146 S147 N151	R146-F149 CarbonylContact C-O 3.55Å; R146-F149 WeakPolarHBondContact CA-O 3.33Å; S147-F149 VanDerWaalsContact C-N 3.29Å; S147-F149 PolarHBondContact N-O 2.91Å; F149-N151 PolarHBondContact O-N 2.81Å; F149-N151 PolarHBondContact O-OD1 2.86Å
150	T	94.7	Very high	95.3	Very high	41 Å²	41	63.2 Å²	63.2	25%	0.252	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-65.6	127.7	175.3	47.3	0	0	0	0	111.6	G123 R146 V152	G123-T150 VanDerWaalsContact CA-OG1 3.24Å; G123-T150 WeakPolarHBondContact CA-OG1 3.21Å; R146-T150 HydrophobicContact CG-CG2 3.98Å; T150-V152 PolarHBondContact O-N 2.91Å
151	N	95.4	Very high	95.4	Very high	37 Å²	37	59 Å²	59	20%	0.198	32%	0.318	C	S	.	.			trans	-81.2	69.7	-176.3	-66.1	37.8	0	0	0	111	H145 S147 F149 R167	H145-N151 HydrophobicContact CB-CB 4.09Å; H145-N151 WeakPolarHBondContact O-CB 3.47Å; H145-N151 PolarHBondContact O-N 2.53Å; H145-N151 PolarHBondContact O-OD1 2.81Å; S147-N151 PolarHBondContact N-OD1 3.05Å; F149-N151 PolarHBondContact O-N 2.81Å; F149-N151 PolarHBondContact O-OD1 2.86Å; N151-R167 HydrophobicContact CB-CB 3.8Å; N151-R167 PolarHBondContact O-N 3.02Å; N151-R167 VanDerWaalsContact O-N 3.12Å
152	V	96.7	Very high	95.4	Very high	18 Å²	18	55.9 Å²	55.9	11%	0.109	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	108.6	174	-175.3	0	0	0	0	107.8	G122 L126 I144 T150 V164 N165 Y166	G122-V152 WeakPolarHBondContact CA-O 3.33Å; L126-V152 HydrophobicContact CD2-CG1 3.99Å; I144-V152 HydrophobicContact CD1-CG2 4.35Å; I144-V152 HydrophobicContact CG2-CG2 3.95Å; T150-V152 PolarHBondContact O-N 2.91Å; V152-V164 HydrophobicContact CG1-CG1 3.97Å; V152-N165 WeakPolarHBondContact CA-O 3.28Å; V152-Y166 HydrophobicContact CB-CD1 4.42Å; V152-Y166 HydrophobicContact CG1-CD1 3.78Å; V152-Y166 HydrophobicContact CG1-CE1 3.79Å; V152-Y166 HydrophobicContact CG2-CD1 3.9Å; V152-Y166 HydrophobicContact CG2-CE1 4.43Å
153	F	95.3	Very high	95.4	Very high	93 Å²	93	56.3 Å²	56.3	41%	0.408	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.9	174.5	174.8	-98.3	0	0	0	109.1	M155 V164 N165	F153-M155 HydrophobicContact CE1-CB 3.77Å; F153-M155 HydrophobicContact CZ-CB 3.86Å; F153-M155 HydrophobicContact CZ-CE 3.97Å; F153-M155 HydrophobicContact CZ-SD 4.38Å; F153-V164 CarbonylContact O-C 3.5Å; F153-V164 WeakPolarHBondContact O-CA 3.28Å; F153-N165 HydrophobicContact CB-CB 4.19Å; F153-N165 HydrophobicContact CD1-CB 4.3Å; F153-N165 PolarHBondContact N-O 3.28Å; F153-N165 PolarHBondContact O-N 2.99Å
154	L	97	Very high	95.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.7	177.4	170.3	63.4	0	0	0	108.8	L120 L125 L126 L129 I156 V162 V164	L120-L154 HydrophobicContact CB-CD2 4.14Å; L120-L154 HydrophobicContact CB-CG 4.29Å; L120-L154 PolarHBondContact N-O 2.83Å; L125-L154 HydrophobicContact CB-CD2 4.09Å; L125-L154 HydrophobicContact CD2-CD2 4.04Å; L125-L154 HydrophobicContact CG-CD2 4.25Å; L126-L154 HydrophobicContact CB-CD2 4.49Å; L126-L154 HydrophobicContact CD1-CD1 4.28Å; L129-L154 HydrophobicContact CD1-CD2 4.06Å; L154-I156 HydrophobicContact CD1-CG1 4.29Å; L154-V162 HydrophobicContact CD1-CG1 3.61Å; L154-V164 HydrophobicContact CD1-CG2 3.79Å
155	M	96.8	Very high	95.5	Very high	20 Å²	20	51.5 Å²	51.5	10%	0.099	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.5	172.9	176.8	169.9	-84.8	0	0	110.2	N117 L118 S119 F153 Y157 W163	N117-M155 HydrophobicContact CB-CE 4.13Å; N117-M155 HydrophobicContact CB-CG 4.22Å; N117-M155 HydrophobicContact CB-SD 4.02Å; L118-M155 VanDerWaalsContact O-CA 3.28Å; L118-M155 WeakPolarHBondContact O-CA 3.39Å; S119-M155 VanDerWaalsContact OG-CE 3.28Å; S119-M155 WeakPolarHBondContact OG-CE 3.04Å; F153-M155 HydrophobicContact CE1-CB 3.77Å; F153-M155 HydrophobicContact CZ-CB 3.86Å; F153-M155 HydrophobicContact CZ-CE 3.97Å; F153-M155 HydrophobicContact CZ-SD 4.38Å; M155-Y157 HydrophobicContact CG-CD2 4.48Å; M155-Y157 HydrophobicContact CG-CE2 4.13Å; M155-Y157 HydrophobicContact SD-CE1 4.26Å; M155-Y157 HydrophobicContact SD-CE2 4.12Å; M155-W163 HydrophobicContact CB-CB 4.37Å; M155-W163 PolarHBondContact N-O 3.45Å; M155-W163 PolarHBondContact O-N 2.68Å
156	I	96.7	Very high	95.6	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.3	174.4	-52.6	179.2	0	0	0	108	L106 F108 N117 L118 L120 L129 L154 T161	L106-I156 HydrophobicContact CB-CG2 4.17Å; L106-I156 HydrophobicContact CD1-CD1 4.46Å; F108-I156 HydrophobicContact CD1-CG2 4.42Å; F108-I156 HydrophobicContact CE1-CB 4.46Å; F108-I156 HydrophobicContact CE1-CG2 4.01Å; N117-I156 WeakPolarHBondContact CA-O 3.19Å; L118-I156 PolarHBondContact N-O 2.95Å; L118-I156 PolarHBondContact O-N 2.86Å; L120-I156 HydrophobicContact CD1-CD1 3.64Å; L120-I156 HydrophobicContact CD1-CG1 4.03Å; L129-I156 HydrophobicContact CD1-CD1 3.86Å; L154-I156 HydrophobicContact CD1-CG1 4.29Å; I156-T161 WeakPolarHBondContact CA-O 3.49Å
157	Y	97.2	Very high	95.7	Very high	73 Å²	73	44.4 Å²	44.4	29%	0.286	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	154.2	175.2	-69.1	-89.6	0	0	0	110.9	F108 N117 M155 N159 G160 T161 W163	F108-Y157 WeakPolarHBondContact CE1-O 3.42Å; N117-Y157 HydrophobicContact CB-CD1 4.14Å; N117-Y157 HydrophobicContact CB-CE1 4.3Å; M155-Y157 HydrophobicContact CG-CD2 4.48Å; M155-Y157 HydrophobicContact CG-CE2 4.13Å; M155-Y157 HydrophobicContact SD-CE1 4.26Å; M155-Y157 HydrophobicContact SD-CE2 4.12Å; Y157-N159 WeakPolarHBondContact CB-OD1 3.45Å; Y157-N159 PolarHBondContact O-N 2.81Å; Y157-G160 PolarHBondContact O-N 2.96Å; Y157-T161 HydrophobicContact CD2-CG2 4.38Å; Y157-T161 PolarHBondContact N-O 3.31Å; Y157-W163 HydrophobicContact CE2-CB 4.2Å
158	S	95.8	Very high	96	Very high	14 Å²	14	40.9 Å²	40.9	10%	0.098	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.9	-174.9	66	0	0	0	0	114.7	F108 E109 R116 G160	F108-S158 PolarHBondContact N-O 3.15Å; E109-S158 PolarHBondContact N-O 3.45Å; E109-S158 WeakPolarHBondContact OE2-CB 3.19Å; E109-S158 PolarHBondContact OE2-OG 3.46Å; R116-S158 WeakPolarHBondContact O-CB 3.46Å; R116-S158 PolarHBondContact O-N 3Å; S158-G160 VanDerWaalsContact C-N 3.3Å; S158-G160 PolarHBondContact O-N 3.08Å
159	N	94.9	Very high	96.3	Very high	90 Å²	90	39.1 Å²	39.1	48%	0.481	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1	173.5	73.1	-10	0	0	0	114.7	Y157 T161	Y157-N159 WeakPolarHBondContact CB-OD1 3.45Å; Y157-N159 PolarHBondContact O-N 2.81Å; N159-T161 VanDerWaalsContact CG-OG1 3.32Å; N159-T161 PolarHBondContact ND2-OG1 3.42Å; N159-T161 VanDerWaalsContact OD1-CB 3.31Å; N159-T161 WeakPolarHBondContact OD1-CB 3.28Å; N159-T161 PolarHBondContact OD1-N 3.41Å; N159-T161 PolarHBondContact OD1-OG1 3.14Å
160	G	94	Very high	96.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	90	6.5	-177.7	0	0	0	0	0	114.9	D103 Y157 S158 V162	D103-G160 CarbonylContact C-O 3.5Å; D103-G160 PolarHBondContact N-O 2.9Å; D103-G160 WeakPolarHBondContact O-CA 3.46Å; D103-G160 VanDerWaalsContact O-O 3.13Å; Y157-G160 PolarHBondContact O-N 2.96Å; S158-G160 VanDerWaalsContact C-N 3.3Å; S158-G160 PolarHBondContact O-N 3.08Å; G160-V162 PolarHBondContact O-N 3.43Å
161	T	96.1	Very high	96.7	Very high	15 Å²	15	31.2 Å²	31.2	9%	0.092	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.1	172	-50.4	0	0	0	0	109.5	W101 I156 Y157 N159	W101-T161 CarbonylContact O-C 3.25Å; W101-T161 WeakPolarHBondContact O-CA 3.45Å; I156-T161 WeakPolarHBondContact CA-O 3.49Å; Y157-T161 HydrophobicContact CD2-CG2 4.38Å; Y157-T161 PolarHBondContact N-O 3.31Å; N159-T161 VanDerWaalsContact CG-OG1 3.32Å; N159-T161 PolarHBondContact ND2-OG1 3.42Å; N159-T161 VanDerWaalsContact OD1-CB 3.31Å; N159-T161 WeakPolarHBondContact OD1-CB 3.28Å; N159-T161 PolarHBondContact OD1-N 3.41Å; N159-T161 PolarHBondContact OD1-OG1 3.14Å
162	V	96.7	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.1	175.3	-173	0	0	0	0	108.5	A100 W101 L106 L154 G160 V164	A100-V162 VanDerWaalsContact CA-O 3.3Å; A100-V162 WeakPolarHBondContact CA-O 3.33Å; W101-V162 HydrophobicContact CD2-CB 4.05Å; W101-V162 HydrophobicContact CE3-CB 4.5Å; W101-V162 HydrophobicContact CH2-CB 4.29Å; W101-V162 HydrophobicContact CH2-CG1 3.74Å; W101-V162 HydrophobicContact CZ2-CB 3.78Å; W101-V162 HydrophobicContact CZ2-CG1 3.53Å; W101-V162 HydrophobicContact CZ2-CG2 4.26Å; W101-V162 HydrophobicContact CZ3-CG1 4.3Å; W101-V162 PolarHBondContact N-O 3.18Å; W101-V162 PolarHBondContact O-N 3.17Å; L106-V162 HydrophobicContact CD1-CG2 3.4Å; L154-V162 HydrophobicContact CD1-CG1 3.61Å; G160-V162 PolarHBondContact O-N 3.43Å; V162-V164 HydrophobicContact CG1-CG2 3.9Å
163	W	97.5	Very high	96.8	Very high	65 Å²	65	30 Å²	30	25%	0.246	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.3	176.5	-163.6	-72.4	0	0	0	108.7	T98 A100 M155 Y157	T98-W163 HydrophobicContact CG2-CD2 4.34Å; T98-W163 VanDerWaalsContact CG2-CE2 3.43Å; T98-W163 HydrophobicContact CG2-CZ2 3.63Å; A100-W163 HydrophobicContact CB-CD2 4.14Å; A100-W163 HydrophobicContact CB-CE3 3.63Å; A100-W163 HydrophobicContact CB-CZ3 3.86Å; M155-W163 HydrophobicContact CB-CB 4.37Å; M155-W163 PolarHBondContact N-O 3.45Å; M155-W163 PolarHBondContact O-N 2.68Å; Y157-W163 HydrophobicContact CE2-CB 4.2Å
164	V	97.7	Very high	96.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.8	179.1	-171.9	0	0	0	0	109.5	T98 E99 W101 L126 V152 F153 L154 V162 Y166	T98-V164 CarbonylContact C-O 3.57Å; T98-V164 VanDerWaalsContact CA-O 3.28Å; T98-V164 WeakPolarHBondContact CA-O 2.89Å; E99-V164 PolarHBondContact N-O 3.49Å; E99-V164 PolarHBondContact O-N 3.43Å; W101-V164 HydrophobicContact CH2-CB 4.41Å; W101-V164 HydrophobicContact CH2-CG2 3.42Å; W101-V164 VanDerWaalsContact CH2-CG2 3.42Å; W101-V164 HydrophobicContact CZ2-CG2 4.5Å; W101-V164 HydrophobicContact CZ3-CB 4.22Å; W101-V164 HydrophobicContact CZ3-CG2 3.62Å; L126-V164 HydrophobicContact CD1-CG2 3.85Å; L126-V164 HydrophobicContact CD2-CG1 3.93Å; V152-V164 HydrophobicContact CG1-CG1 3.97Å; F153-V164 CarbonylContact O-C 3.5Å; F153-V164 WeakPolarHBondContact O-CA 3.28Å; L154-V164 HydrophobicContact CD1-CG2 3.79Å; V162-V164 HydrophobicContact CG1-CG2 3.9Å; V164-Y166 HydrophobicContact CB-CE2 4.24Å; V164-Y166 HydrophobicContact CG1-CD1 4.36Å; V164-Y166 HydrophobicContact CG1-CD2 4.12Å; V164-Y166 HydrophobicContact CG1-CE1 3.79Å; V164-Y166 HydrophobicContact CG1-CE2 3.53Å
165	N	97.4	Very high	96.4	Very high	29 Å²	29	31.5 Å²	31.5	16%	0.155	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.3	174.7	178.5	-89.3	0	0	0	110	Y96 M97 T98 V152 F153	Y96-N165 WeakPolarHBondContact CD1-OD1 3.28Å; M97-N165 CarbonylContact O-C 3.58Å; M97-N165 WeakPolarHBondContact O-CA 3.19Å; T98-N165 PolarHBondContact OG1-ND2 3.27Å; V152-N165 WeakPolarHBondContact CA-O 3.28Å; F153-N165 HydrophobicContact CB-CB 4.19Å; F153-N165 HydrophobicContact CD1-CB 4.3Å; F153-N165 PolarHBondContact N-O 3.28Å; F153-N165 PolarHBondContact O-N 2.99Å
166	Y	97.3	Very high	95.7	Very high	29 Å²	29	34.7 Å²	34.7	11%	0.114	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.9	-179	-53.1	-88.6	0	0	0	109.8	Y96 M97 E99 L126 I144 V152 V164	Y96-Y166 CarbonylContact C-O 3.54Å; Y96-Y166 VanDerWaalsContact CA-O 3.24Å; Y96-Y166 WeakPolarHBondContact CA-O 3.22Å; M97-Y166 PolarHBondContact N-O 3.31Å; M97-Y166 PolarHBondContact O-N 3.03Å; E99-Y166 HydrophobicContact CG-CE2 4.32Å; L126-Y166 HydrophobicContact CD2-CE1 3.74Å; L126-Y166 WeakPolarHBondContact CD2-OH 3.25Å; I144-Y166 HydrophobicContact CD1-CD1 4.26Å; V152-Y166 HydrophobicContact CB-CD1 4.42Å; V152-Y166 HydrophobicContact CG1-CD1 3.78Å; V152-Y166 HydrophobicContact CG1-CE1 3.79Å; V152-Y166 HydrophobicContact CG2-CD1 3.9Å; V152-Y166 HydrophobicContact CG2-CE1 4.43Å; V164-Y166 HydrophobicContact CB-CE2 4.24Å; V164-Y166 HydrophobicContact CG1-CD1 4.36Å; V164-Y166 HydrophobicContact CG1-CD2 4.12Å; V164-Y166 HydrophobicContact CG1-CE1 3.79Å; V164-Y166 HydrophobicContact CG1-CE2 3.53Å
167	R	97.5	Very high	95.1	Very high	56 Å²	56	37.8 Å²	37.8	21%	0.211	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	112.1	167.1	-168.5	-174.6	178	-160.4	-2.4	109.8	Q79 V95 Y96 I144 H145 N151	Q79-R167 VanDerWaalsContact OE1-NE 3.11Å; V95-R167 WeakPolarHBondContact O-CA 3.35Å; Y96-R167 HydrophobicContact CD1-CB 3.72Å; Y96-R167 HydrophobicContact CD1-CG 3.89Å; Y96-R167 HydrophobicContact CE1-CB 3.55Å; Y96-R167 HydrophobicContact CE1-CG 3.44Å; Y96-R167 VanDerWaalsContact CE1-CG 3.44Å; Y96-R167 HydrophobicContact CE2-CG 4.38Å; Y96-R167 WeakPolarHBondContact OH-CD 3.38Å; Y96-R167 PolarHBondContact OH-NE 2.79Å; I144-R167 WeakPolarHBondContact CA-O 3.21Å; H145-R167 HydrophobicContact CB-CB 4.26Å; H145-R167 HydrophobicContact CB-CG 4.08Å; H145-R167 PolarHBondContact N-O 2.94Å; N151-R167 HydrophobicContact CB-CB 3.8Å; N151-R167 PolarHBondContact O-N 3.02Å; N151-R167 VanDerWaalsContact O-N 3.12Å
168	I	97.6	Very high	94.6	Very high	15 Å²	15	34.4 Å²	34.4	8%	0.077	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.1	-170.4	-47.7	170.5	0	0	0	110.1	V95 M97 F136 A142 I144 L170	V95-I168 HydrophobicContact CG2-CB 4.33Å; V95-I168 PolarHBondContact N-O 2.86Å; V95-I168 PolarHBondContact O-N 3.18Å; M97-I168 HydrophobicContact CB-CD1 4.2Å; F136-I168 HydrophobicContact CE2-CD1 4.02Å; A142-I168 HydrophobicContact CB-CG2 4.43Å; I144-I168 HydrophobicContact CG1-CG1 4.38Å; I168-L170 HydrophobicContact CB-CD2 4.34Å; I168-L170 HydrophobicContact CB-CG 4.22Å; I168-L170 HydrophobicContact CG2-CD2 3.42Å; I168-L170 VanDerWaalsContact CG2-CD2 3.42Å; I168-L170 HydrophobicContact CG2-CG 3.72Å
169	K	97.9	Very high	94.3	Very high	86 Å²	86	39.1 Å²	39.1	37%	0.374	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	120.1	162.3	-175.8	175.8	-177	179.1	0	108.6	D94 A142 S143	D94-K169 WeakPolarHBondContact OD1-CA 3.42Å; D94-K169 WeakPolarHBondContact OD1-CB 3.24Å; A142-K169 WeakPolarHBondContact CA-O 3.5Å; S143-K169 PolarHBondContact N-O 2.86Å; S143-K169 PolarHBondContact O-N 2.82Å
170	L	97.6	Very high	94	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.5	-173.9	-67.3	175	0	0	0	111.3	E92 L93 V95 F136 A142 I168 L190	E92-L170 WeakPolarHBondContact CA-O 3.31Å; L93-L170 HydrophobicContact CD2-CB 3.73Å; L93-L170 HydrophobicContact CG-CB 4.22Å; L93-L170 PolarHBondContact N-O 2.87Å; L93-L170 PolarHBondContact O-N 2.87Å; V95-L170 HydrophobicContact CG1-CD1 4.42Å; V95-L170 HydrophobicContact CG2-CD1 3.36Å; V95-L170 HydrophobicContact CG2-CG 4.16Å; F136-L170 HydrophobicContact CB-CD2 4.44Å; F136-L170 HydrophobicContact CD1-CD1 4.29Å; F136-L170 HydrophobicContact CD2-CD1 3.64Å; F136-L170 HydrophobicContact CD2-CD2 3.58Å; F136-L170 HydrophobicContact CD2-CG 4.27Å; F136-L170 HydrophobicContact CE1-CD1 4.03Å; F136-L170 HydrophobicContact CE2-CD1 3.35Å; F136-L170 HydrophobicContact CE2-CD2 4.04Å; F136-L170 HydrophobicContact CE2-CG 4.29Å; F136-L170 HydrophobicContact CG-CD1 4.08Å; F136-L170 HydrophobicContact CG-CD2 4.13Å; F136-L170 HydrophobicContact CZ-CD1 3.52Å; A142-L170 HydrophobicContact CB-CD2 3.49Å; A142-L170 VanDerWaalsContact CB-CD2 3.49Å; I168-L170 HydrophobicContact CB-CD2 4.34Å; I168-L170 HydrophobicContact CB-CG 4.22Å; I168-L170 HydrophobicContact CG2-CD2 3.42Å; I168-L170 VanDerWaalsContact CG2-CD2 3.42Å; I168-L170 HydrophobicContact CG2-CG 3.72Å; L170-L190 HydrophobicContact CD1-CD1 4.12Å
171	T	97.7	Very high	93.9	Very high	14 Å²	14	37.6 Å²	37.6	9%	0.086	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	108.5	165.3	-52.4	0	0	0	0	107.6	E90 F91 E92 K140 S141	E90-T171 HydrophobicContact CB-CG2 3.91Å; E90-T171 HydrophobicContact CG-CG2 4.09Å; F91-T171 CarbonylContact O-C 3.6Å; F91-T171 WeakPolarHBondContact O-CA 3.36Å; E92-T171 HydrophobicContact CG-CG2 4.12Å; K140-T171 HydrophobicContact CB-CG2 4.23Å; K140-T171 PolarHBondContact N-O 2.88Å; S141-T171 PolarHBondContact N-O 2.85Å; S141-T171 PolarHBondContact O-N 2.85Å
172	G	96.8	Very high	93.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	163.8	-180	0	0	0	0	0	112.7	E90 F91	E90-G172 WeakPolarHBondContact CA-O 3.46Å; E90-G172 VanDerWaalsContact CB-O 3.3Å; E90-G172 WeakPolarHBondContact CB-O 3.42Å; F91-G172 VanDerWaalsContact CD1-C 3.5Å; F91-G172 VanDerWaalsContact CD1-O 3.26Å; F91-G172 WeakPolarHBondContact CD1-O 3.38Å; F91-G172 VanDerWaalsContact CE1-CA 3.46Å; F91-G172 PolarHBondContact N-O 2.81Å; F91-G172 PolarHBondContact O-N 2.88Å
173	P	96.5	Very high	93.3	Very high	29 Å²	29	38.4 Å²	38.4	19%	0.188	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	151.9	173.9	33	-33.3	0	0	0	111.6	F91 N138 F189	F91-P173 WeakPolarHBondContact CE1-O 3.33Å; N138-P173 HydrophobicContact CB-CG 4.4Å; N138-P173 WeakPolarHBondContact ND2-CG 3.45Å; N138-P173 VanDerWaalsContact O-CD 3.28Å; N138-P173 WeakPolarHBondContact O-CD 3.3Å; P173-F189 PolarHBondContact O-N 2.89Å
174	C	94.2	Very high	93	Very high	14 Å²	14	35.3 Å²	35.3	10%	0.095	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-123.5	146.2	168.8	-64	0	0	0	0	110.3	S89 F91 C188	S89-C174 PolarHBondContact O-N 2.95Å; S89-C174 VanDerWaalsContact O-N 3.15Å; F91-C174 WeakPolarHBondContact CD1-SG 3.49Å; C174-C188 HydrophobicContact CB-CB 4.02Å; C174-C188 WeakPolarHBondContact CB-SG 3.31Å; C174-C188 WeakPolarHBondContact SG-CB 3.28Å; C174-C188 CovalentContact SG-SG 2.04Å; C174-C188 PolarHBondContact SG-SG 2.76Å
175	E	91.2	Very high	92.7	Very high	110 Å²	110	40.6 Å²	40.6	51%	0.514	20%	0.195	S	C	.	.			trans	-65.4	135.3	169.5	-172.6	168.3	-156.4	0	0	110	R187	E175-R187 HydrophobicContact CB-CB 4.39Å; E175-R187 WeakPolarHBondContact CB-O 3.32Å; E175-R187 PolarHBondContact N-O 3.09Å
176	K	81.8	Confident	92.5	Very high	87 Å²	87	39.6 Å²	39.6	38%	0.378	19%	0.189	S	C	.	.			trans	-105.1	97	-179.9	-175.7	-177.1	-178.6	172	0	108.7
177	D	84.8	Confident	92.4	Very high	67 Å²	67	44.5 Å²	44.5	36%	0.358	21%	0.208	S	C	.	.			trans	-130.3	110.3	165.4	-170.8	-0.9	0	0	0	109.3	K179	D177-K179 WeakPolarHBondContact OD1-CB 3.43Å; D177-K179 VanDerWaalsContact OD1-CG 3.28Å; D177-K179 WeakPolarHBondContact OD1-CG 3.47Å; D177-K179 PolarHBondContact OD1-N 2.92Å; D177-K179 VanDerWaalsContact OD1-N 3.09Å
178	L	85.8	Confident	92.3	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	20%	0.198	C	C	.	.			trans	-112	10.6	-178.7	-60.8	179.2	0	0	0	112.1	T180 F181 D184 P310 T312 K316	L178-T180 PolarHBondContact O-N 2.86Å; L178-F181 HydrophobicContact CB-CB 4.37Å; L178-F181 WeakPolarHBondContact O-CB 3.37Å; L178-F181 PolarHBondContact O-N 2.7Å; L178-D184 WeakPolarHBondContact CD2-OD2 3.24Å; L178-P310 HydrophobicContact CD1-CG 3.79Å; L178-T312 HydrophobicContact CD1-CG2 3.89Å; L178-K316 HydrophobicContact CB-CD 4.42Å; L178-K316 HydrophobicContact CB-CG 4.45Å; L178-K316 WeakPolarHBondContact O-CG 3.23Å
179	K	88.9	Confident	92.3	Very high	113 Å²	113	45 Å²	45	49%	0.491	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-39.4	-177.3	-71	171.7	-176	169.1	0	112.1	D177 D314 A317	D177-K179 WeakPolarHBondContact OD1-CB 3.43Å; D177-K179 VanDerWaalsContact OD1-CG 3.28Å; D177-K179 WeakPolarHBondContact OD1-CG 3.47Å; D177-K179 PolarHBondContact OD1-N 2.92Å; D177-K179 VanDerWaalsContact OD1-N 3.09Å; K179-D314 HydrophobicContact CG-CB 4.39Å; K179-A317 PolarHBondContact O-N 2.94Å
180	T	90	Very high	92.3	Very high	57 Å²	57	41 Å²	41	35%	0.35	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	12.6	179.7	56.4	0	0	0	0	113.7	L178 I183	L178-T180 PolarHBondContact O-N 2.86Å; T180-I183 CarbonylContact O-C 3.59Å; T180-I183 PolarHBondContact O-N 2.87Å
181	F	90.7	Very high	92.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	131.5	177.6	176.1	-85.6	0	0	0	111.5	L178 Y258 L309 K316 A317 I318	L178-F181 HydrophobicContact CB-CB 4.37Å; L178-F181 WeakPolarHBondContact O-CB 3.37Å; L178-F181 PolarHBondContact O-N 2.7Å; F181-Y258 HydrophobicContact CE1-CD1 4.25Å; F181-Y258 HydrophobicContact CE1-CE1 4.42Å; F181-Y258 HydrophobicContact CE2-CE1 4.23Å; F181-Y258 HydrophobicContact CE2-CE2 4.44Å; F181-Y258 AromaticContact CZ-CD1 3.67Å; F181-Y258 HydrophobicContact CZ-CD1 3.67Å; F181-Y258 HydrophobicContact CZ-CD2 4.47Å; F181-Y258 AromaticContact CZ-CE1 3.48Å; F181-Y258 HydrophobicContact CZ-CE1 3.48Å; F181-Y258 VanDerWaalsContact CZ-CE1 3.48Å; F181-Y258 HydrophobicContact CZ-CE2 4.3Å; F181-Y258 HydrophobicContact CZ-CG 4.16Å; F181-Y258 AromaticContact CZ-CZ 3.78Å; F181-L309 HydrophobicContact CD1-CD1 4.01Å; F181-L309 HydrophobicContact CD2-CD2 3.94Å; F181-L309 HydrophobicContact CE1-CD1 3.58Å; F181-L309 HydrophobicContact CE1-CD2 4.12Å; F181-L309 HydrophobicContact CE1-CG 4.43Å; F181-L309 HydrophobicContact CE2-CD1 4.39Å; F181-L309 HydrophobicContact CE2-CD2 3.38Å; F181-L309 HydrophobicContact CE2-CG 4.47Å; F181-L309 HydrophobicContact CZ-CD1 3.79Å; F181-L309 HydrophobicContact CZ-CD2 3.49Å; F181-L309 VanDerWaalsContact CZ-CD2 3.49Å; F181-L309 HydrophobicContact CZ-CG 4.14Å; F181-K316 HydrophobicContact CB-CB 4.49Å; F181-K316 HydrophobicContact CB-CD 4.46Å; F181-A317 WeakPolarHBondContact O-CB 3.28Å; F181-I318 HydrophobicContact CD1-CB 4.22Å; F181-I318 HydrophobicContact CD1-CG2 3.65Å; F181-I318 HydrophobicContact CE1-CD1 4.12Å; F181-I318 HydrophobicContact CE1-CG2 4.02Å; F181-I318 PolarHBondContact O-N 3.44Å
182	P	89.6	Confident	92.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96	7.7	12.2	37.3	-37.4	0	0	0	115.7	D184 R253 Y255 Y258 Y263	P182-D184 PolarHBondContact O-N 2.85Å; P182-R253 WeakPolarHBondContact O-CD 3.38Å; P182-Y255 WeakPolarHBondContact O-CB 3.42Å; P182-Y258 HydrophobicContact CB-CD2 3.83Å; P182-Y258 HydrophobicContact CB-CG 3.88Å; P182-Y258 HydrophobicContact CG-CG 4.45Å; P182-Y263 HydrophobicContact CG-CE2 4.2Å
183	I	90.8	Very high	92.3	Very high	33 Å²	33	41.4 Å²	41.4	17%	0.169	20%	0.195	C	C	.	.	S	Bend	trans	-95.8	32.1	-177.1	-39.6	-175.4	0	0	0	109.9	T180 Y255 W390 L394	T180-I183 CarbonylContact O-C 3.59Å; T180-I183 PolarHBondContact O-N 2.87Å; I183-Y255 HydrophobicContact CG2-CD1 4.44Å; I183-W390 HydrophobicContact CD1-CZ3 4.21Å; I183-L394 HydrophobicContact CD1-CD2 3.36Å; I183-L394 HydrophobicContact CD1-CG 4.01Å; I183-L394 HydrophobicContact CG2-CD2 4.42Å
184	D	90.8	Very high	92.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.186	C	C	.	.			trans	-82.6	155	-174.7	52.3	-18.1	0	0	0	112.3	L178 P182 H186 R253	L178-D184 WeakPolarHBondContact CD2-OD2 3.24Å; P182-D184 PolarHBondContact O-N 2.85Å; D184-H186 IonicContact OD2-CE1 2.82Å; D184-H186 PolarHBondContact OD2-CE1 2.92Å; D184-H186 IonicContact OD2-NE2 3.61Å; D184-R253 PolarHBondContact O-N 2.8Å; D184-R253 WeakPolarHBondContact OD1-CB 3.5Å; D184-R253 WeakPolarHBondContact OD1-CD 3.46Å; D184-R253 IonicContact OD1-CZ 3.35Å; D184-R253 IonicContact OD1-NE 3.07Å; D184-R253 PolarHBondContact OD1-NE 3.4Å; D184-R253 IonicContact OD1-NH2 2.84Å; D184-R253 IonicContact OD2-CZ 2.68Å; D184-R253 IonicContact OD2-NE 2.86Å; D184-R253 PolarHBondContact OD2-NE 2.82Å; D184-R253 IonicContact OD2-NH2 2.88Å; D184-R253 PolarHBondContact OD2-NH2 2.49Å
185	Q	92.2	Very high	92.2	Very high	111 Å²	111	41.3 Å²	41.3	52%	0.519	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.9	172.5	-65.3	-174	4.4	0	0	109.6	I226 F251	Q185-I226 HydrophobicContact CG-CD1 4.03Å; Q185-F251 CarbonylContact C-O 3.54Å; Q185-F251 VanDerWaalsContact CA-O 3.3Å; Q185-F251 WeakPolarHBondContact CA-O 3.25Å
186	H	92.1	Very high	92.2	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.037	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.5	179.3	-65.6	76.7	0	0	0	109.8	D184 Y223 T250 F251 R253	D184-H186 IonicContact OD2-CE1 2.82Å; D184-H186 PolarHBondContact OD2-CE1 2.92Å; D184-H186 IonicContact OD2-NE2 3.61Å; H186-Y223 AromaticContact CE1-CE1 3.94Å; H186-Y223 AromaticContact ND1-CE1 3.63Å; H186-T250 CarbonylContact O-C 3.5Å; H186-T250 WeakPolarHBondContact O-CA 3.16Å; H186-F251 PolarHBondContact N-O 3.12Å; H186-F251 PolarHBondContact O-N 3.25Å; H186-R253 PolarHBondContact CE1-NH2 2.77Å
187	R	95.4	Very high	92.7	Very high	132 Å²	132	34.7 Å²	34.7	50%	0.498	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.5	175.6	-64.1	-179.7	68.1	161	-0.4	108.9	E175 T250	E175-R187 HydrophobicContact CB-CB 4.39Å; E175-R187 WeakPolarHBondContact CB-O 3.32Å; E175-R187 PolarHBondContact N-O 3.09Å; R187-T250 HydrophobicContact CG-CG2 4.25Å
188	C	96.7	Very high	93.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.5	177.3	-50	0	0	0	0	108.9	F91 C174 T248 F249 F251	F91-C188 HydrophobicContact CD1-CB 3.54Å; F91-C188 HydrophobicContact CD2-CB 4.17Å; F91-C188 HydrophobicContact CE1-CB 3.44Å; F91-C188 VanDerWaalsContact CE1-CB 3.44Å; F91-C188 HydrophobicContact CE2-CB 4.05Å; F91-C188 HydrophobicContact CG-CB 3.93Å; F91-C188 HydrophobicContact CZ-CB 3.69Å; C174-C188 HydrophobicContact CB-CB 4.02Å; C174-C188 WeakPolarHBondContact CB-SG 3.31Å; C174-C188 WeakPolarHBondContact SG-CB 3.28Å; C174-C188 CovalentContact SG-SG 2.04Å; C174-C188 PolarHBondContact SG-SG 2.76Å; C188-T248 CarbonylContact O-C 3.52Å; C188-T248 WeakPolarHBondContact O-CA 3.43Å; C188-F249 PolarHBondContact N-O 2.85Å; C188-F249 PolarHBondContact O-N 2.78Å; C188-F251 HydrophobicContact CB-CE2 4.2Å
189	F	96.7	Very high	93.5	Very high	82 Å²	82	33.5 Å²	33.5	36%	0.36	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	147.6	-176.7	62	-88	0	0	0	112	N138 P173 I246 A247	N138-F189 WeakPolarHBondContact ND2-CD2 3.14Å; N138-F189 WeakPolarHBondContact ND2-CE2 3.3Å; N138-F189 PolarHBondContact ND2-O 3.49Å; P173-F189 PolarHBondContact O-N 2.89Å; F189-I246 HydrophobicContact CB-CG2 4.17Å; F189-A247 CarbonylContact C-O 3.48Å; F189-A247 VanDerWaalsContact CA-O 3.25Å; F189-A247 WeakPolarHBondContact CA-O 3.26Å
190	L	97.6	Very high	93.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.5	175.3	-68.6	171.9	0	0	0	108.5	F91 L93 F136 N138 L170 I246 A247 F249	F91-L190 HydrophobicContact CE1-CD2 4.37Å; F91-L190 HydrophobicContact CE1-CG 4.48Å; F91-L190 HydrophobicContact CZ-CD1 4.19Å; F91-L190 HydrophobicContact CZ-CD2 4.2Å; F91-L190 HydrophobicContact CZ-CG 3.88Å; L93-L190 HydrophobicContact CD1-CD1 3.83Å; L93-L190 HydrophobicContact CD2-CD1 4.14Å; L93-L190 HydrophobicContact CG-CD1 4.5Å; F136-L190 HydrophobicContact CD1-CB 3.84Å; F136-L190 HydrophobicContact CD1-CD1 4.42Å; F136-L190 HydrophobicContact CD1-CD2 4.37Å; F136-L190 HydrophobicContact CD1-CG 4.43Å; F136-L190 HydrophobicContact CE1-CB 3.96Å; F136-L190 HydrophobicContact CE1-CD1 4.13Å; N138-L190 WeakPolarHBondContact OD1-CA 3.14Å; L170-L190 HydrophobicContact CD1-CD1 4.12Å; L190-I246 CarbonylContact O-C 3.56Å; L190-I246 VanDerWaalsContact O-CA 3.31Å; L190-I246 WeakPolarHBondContact O-CA 3.13Å; L190-A247 PolarHBondContact N-O 3.45Å; L190-A247 PolarHBondContact O-N 2.86Å; L190-F249 HydrophobicContact CD1-CE2 4.37Å
191	T	97.5	Very high	93.8	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.049	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.2	177.2	-56.4	0	0	0	0	108.3	F136 V137 N138 E244 I246	F136-T191 CarbonylContact C-O 3.45Å; F136-T191 VanDerWaalsContact CA-O 3.25Å; F136-T191 WeakPolarHBondContact CA-O 3.34Å; V137-T191 HydrophobicContact CG2-CG2 3.61Å; V137-T191 PolarHBondContact N-O 2.91Å; N138-T191 PolarHBondContact OD1-N 3.23Å; T191-E244 HydrophobicContact CG2-CB 3.91Å; T191-E244 HydrophobicContact CG2-CG 3.76Å; T191-E244 WeakPolarHBondContact CG2-OE2 3.48Å; T191-I246 HydrophobicContact CG2-CG1 4.32Å
192	Y	97.9	Very high	94	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.016	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.1	176.1	-160.3	-109.1	0	0	0	109.7	T74 M97 E99 C134 C135 F136 L245	T74-Y192 HydrophobicContact CG2-CE1 4.5Å; M97-Y192 HydrophobicContact CE-CD1 4.16Å; M97-Y192 HydrophobicContact CE-CD2 3.94Å; M97-Y192 HydrophobicContact CE-CE1 4.37Å; M97-Y192 HydrophobicContact CE-CE2 4.16Å; M97-Y192 HydrophobicContact CE-CG 3.93Å; M97-Y192 HydrophobicContact CG-CE1 3.99Å; M97-Y192 HydrophobicContact CG-CE2 3.98Å; M97-Y192 HydrophobicContact SD-CD1 4.28Å; M97-Y192 HydrophobicContact SD-CE1 4.07Å; E99-Y192 WeakPolarHBondContact OE1-CE1 3.5Å; E99-Y192 PolarHBondContact OE1-OH 2.04Å; C134-Y192 HydrophobicContact CB-CD1 4.03Å; C134-Y192 HydrophobicContact CB-CE1 3.24Å; C134-Y192 HydrophobicContact CB-CE2 4.28Å; C134-Y192 VanDerWaalsContact CB-CZ 3.4Å; C134-Y192 WeakPolarHBondContact CB-OH 3.47Å; C135-Y192 VanDerWaalsContact C-CD2 3.48Å; C135-Y192 WeakPolarHBondContact O-CA 3.49Å; C135-Y192 WeakPolarHBondContact O-CD2 3.46Å; F136-Y192 AromaticContact CD1-CD2 3.74Å; F136-Y192 HydrophobicContact CD1-CD2 3.74Å; F136-Y192 AromaticContact CD2-CD2 3.77Å; F136-Y192 HydrophobicContact CD2-CD2 3.77Å; F136-Y192 AromaticContact CD2-CE2 3.89Å; F136-Y192 HydrophobicContact CD2-CE2 3.89Å; F136-Y192 AromaticContact CE1-CD2 3.73Å; F136-Y192 HydrophobicContact CE1-CD2 3.73Å; F136-Y192 HydrophobicContact CE1-CG 4.36Å; F136-Y192 AromaticContact CE2-CD2 3.73Å; F136-Y192 HydrophobicContact CE2-CD2 3.73Å; F136-Y192 AromaticContact CE2-CE2 3.75Å; F136-Y192 HydrophobicContact CE2-CE2 3.75Å; F136-Y192 AromaticContact CG-CD2 3.8Å; F136-Y192 HydrophobicContact CG-CD2 3.8Å; F136-Y192 HydrophobicContact CG-CE2 4.36Å; F136-Y192 AromaticContact CZ-CD2 3.75Å; F136-Y192 HydrophobicContact CZ-CD2 3.75Å; F136-Y192 HydrophobicContact CZ-CE2 4.15Å; Y192-L245 PolarHBondContact N-O 3.34Å; Y192-L245 PolarHBondContact O-N 3.06Å
193	E	96.5	Very high	94.3	Very high	10 Å²	10	34 Å²	34	5%	0.047	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	151.9	-172.5	-168.8	-173.2	140.9	0	0	110	C134 C135 V137 F195 Y237 W242 E244	C134-E193 CarbonylContact C-O 3.56Å; C134-E193 WeakPolarHBondContact CA-O 3.21Å; C135-E193 PolarHBondContact N-O 2.82Å; C135-E193 PolarHBondContact O-N 2.82Å; V137-E193 HydrophobicContact CG1-CB 3.84Å; V137-E193 HydrophobicContact CG2-CB 4.41Å; E193-F195 PolarHBondContact O-N 2.91Å; E193-Y237 VanDerWaalsContact OE1-CE2 3.31Å; E193-Y237 WeakPolarHBondContact OE1-CE2 3.4Å; E193-Y237 PolarHBondContact OE2-OH 3.09Å; E193-W242 HydrophobicContact CG-CB 4.03Å; E193-W242 HydrophobicContact CG-CG 4.28Å; E193-W242 WeakPolarHBondContact OE1-CB 3.3Å; E193-E244 HydrophobicContact CG-CG 4.32Å; E193-E244 WeakPolarHBondContact OE2-CG 3.48Å
194	S	95.6	Very high	94.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	122.3	168	-178.7	0	0	0	0	109.1	P132 M196 Y197 L204 W242	P132-S194 PolarHBondContact O-OG 3.49Å; S194-M196 VanDerWaalsContact C-N 3.34Å; S194-M196 PolarHBondContact O-N 2.81Å; S194-Y197 PolarHBondContact OG-N 2.89Å; S194-L204 VanDerWaalsContact N-CD1 3.26Å; S194-W242 PolarHBondContact O-NE1 2.8Å; S194-W242 VanDerWaalsContact O-NE1 3.09Å
195	F	93.3	Very high	94.9	Very high	39 Å²	39	36.1 Å²	36.1	17%	0.171	16%	0.163	C	C	.	.	S	Bend	trans	-74.6	-28	-177	-170.9	-96.5	0	0	0	113	L9 C12 L13 S133 E193	L9-F195 HydrophobicContact CD2-CE2 4.01Å; L9-F195 HydrophobicContact CD2-CZ 3.97Å; L9-F195 VanDerWaalsContact O-CZ 3.28Å; L9-F195 WeakPolarHBondContact O-CZ 3.43Å; C12-F195 VanDerWaalsContact C-CE1 3.41Å; C12-F195 HydrophobicContact CB-CB 4.28Å; C12-F195 HydrophobicContact CB-CD1 3.38Å; C12-F195 HydrophobicContact CB-CD2 3.38Å; C12-F195 HydrophobicContact CB-CE1 3.44Å; C12-F195 VanDerWaalsContact CB-CE1 3.44Å; C12-F195 HydrophobicContact CB-CE2 3.43Å; C12-F195 VanDerWaalsContact CB-CE2 3.43Å; C12-F195 HydrophobicContact CB-CG 3.36Å; C12-F195 HydrophobicContact CB-CZ 3.48Å; C12-F195 VanDerWaalsContact CB-CZ 3.48Å; L13-F195 HydrophobicContact CB-CE1 4.23Å; L13-F195 HydrophobicContact CD2-CE1 4.01Å; L13-F195 HydrophobicContact CG-CE1 3.69Å; L13-F195 HydrophobicContact CG-CZ 3.97Å; L13-F195 VanDerWaalsContact N-CE1 3.29Å; S133-F195 WeakPolarHBondContact O-CB 3.08Å; S133-F195 PolarHBondContact O-N 2.83Å; E193-F195 PolarHBondContact O-N 2.91Å
196	M	90.6	Very high	95.1	Very high	47 Å²	47	32.1 Å²	32.1	23%	0.232	14%	0.143	C	C	.	.	S	Bend	trans	-107.4	-33.9	-170.5	-163.8	-151.3	170.8	0	0	113.7	S16 S194	S16-M196 VanDerWaalsContact C-SD 3.55Å; S16-M196 VanDerWaalsContact CB-SD 3.54Å; S16-M196 WeakPolarHBondContact O-CE 3.42Å; S16-M196 WeakPolarHBondContact OG-CB 3.2Å; S16-M196 WeakPolarHBondContact OG-CG 3.06Å; S194-M196 VanDerWaalsContact C-N 3.34Å; S194-M196 PolarHBondContact O-N 2.81Å
197	Y	92.5	Very high	95.3	Very high	12 Å²	12	33 Å²	33	5%	0.047	15%	0.149	C	C	.	.			trans	-110.5	132.9	-167.9	-56.6	-71.7	0	0	0	110.4	L64 W130 P132 S194 E201 V202 W242	L64-Y197 HydrophobicContact CD1-CD1 4.44Å; L64-Y197 HydrophobicContact CD1-CE1 3.76Å; L64-Y197 HydrophobicContact CD2-CD1 4.24Å; L64-Y197 HydrophobicContact CD2-CE1 4.32Å; L64-Y197 HydrophobicContact CG-CE1 4.23Å; W130-Y197 HydrophobicContact CZ2-CD2 4.39Å; W130-Y197 HydrophobicContact CZ2-CE2 4Å; W130-Y197 AromaticContact NE1-CZ 3.54Å; W130-Y197 PolarHBondContact NE1-OH 2.86Å; P132-Y197 WeakPolarHBondContact O-CD2 3.26Å; S194-Y197 PolarHBondContact OG-N 2.89Å; Y197-E201 HydrophobicContact CD1-CB 4.37Å; Y197-V202 VanDerWaalsContact CB-CG2 3.42Å; Y197-V202 HydrophobicContact CD2-CG2 3.75Å; Y197-V202 HydrophobicContact CG-CG2 3.7Å; Y197-W242 VanDerWaalsContact O-CD1 3.26Å; Y197-W242 PolarHBondContact O-NE1 2.8Å
198	N	94.5	Very high	95.2	Very high	39 Å²	39	32.7 Å²	32.7	21%	0.209	16%	0.157	C	C	.	.			trans	-75.4	173.5	176.1	66.7	31.5	0	0	0	111.4	D200 E201 V202 W242	N198-D200 PolarHBondContact O-N 3.35Å; N198-D200 VanDerWaalsContact O-N 3.13Å; N198-D200 WeakPolarHBondContact OD1-CA 3.22Å; N198-D200 WeakPolarHBondContact OD1-CB 3.38Å; N198-D200 PolarHBondContact OD1-N 3.24Å; N198-E201 PolarHBondContact O-N 2.04Å; N198-E201 PolarHBondContact OD1-N 2.93Å; N198-E201 VanDerWaalsContact OD1-N 3.15Å; N198-V202 PolarHBondContact O-N 3.47Å; N198-W242 HydrophobicContact CB-CD2 4.22Å; N198-W242 HydrophobicContact CB-CE3 4.32Å; N198-W242 HydrophobicContact CB-CH2 4.03Å; N198-W242 HydrophobicContact CB-CZ2 3.91Å; N198-W242 HydrophobicContact CB-CZ3 4.26Å
199	S	93.6	Very high	94.9	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.035	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.8	179	56.7	0	0	0	0	114.9	V202 R203 R241	S199-V202 WeakPolarHBondContact CA-O 3.33Å; S199-R203 WeakPolarHBondContact O-CG 3.35Å; S199-R241 VanDerWaalsContact CB-O 3.23Å; S199-R241 WeakPolarHBondContact CB-O 3.33Å; S199-R241 PolarHBondContact N-O 2.79Å; S199-R241 PolarHBondContact OG-O 2.84Å
200	D	92.2	Very high	94.7	Very high	83 Å²	83	38.2 Å²	38.2	44%	0.444	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-28.2	175.3	-73.9	-45	0	0	0	112.3	R69 N198	R69-D200 WeakPolarHBondContact CG-O 3.42Å; R69-D200 PolarHBondContact NE-O 2.99Å; R69-D200 IonicContact NH2-OD1 3.62Å; R69-D200 PolarHBondContact NH2-OD1 2.81Å; R69-D200 VanDerWaalsContact NH2-OD1 3.08Å; N198-D200 PolarHBondContact O-N 3.35Å; N198-D200 VanDerWaalsContact O-N 3.13Å; N198-D200 WeakPolarHBondContact OD1-CA 3.22Å; N198-D200 WeakPolarHBondContact OD1-CB 3.38Å; N198-D200 PolarHBondContact OD1-N 3.24Å
201	E	93.5	Very high	94.5	Very high	40 Å²	40	39.2 Å²	39.2	19%	0.187	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-46.9	178.3	-70.4	179.1	124.1	0	0	112.6	L64 R69 V70 Y197 N198	L64-E201 HydrophobicContact CD2-CB 3.76Å; L64-E201 HydrophobicContact CD2-CG 4Å; R69-E201 CarbonylContact C-O 3.56Å; R69-E201 VanDerWaalsContact CA-O 3.3Å; R69-E201 WeakPolarHBondContact CA-O 3.23Å; V70-E201 PolarHBondContact N-O 3.15Å; Y197-E201 HydrophobicContact CD1-CB 4.37Å; N198-E201 PolarHBondContact O-N 2.04Å; N198-E201 PolarHBondContact OD1-N 2.93Å; N198-E201 VanDerWaalsContact OD1-N 3.15Å
202	V	95.2	Very high	94.5	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	115.7	-179.2	172.9	0	0	0	0	109.9	V70 V72 W130 P132 Y197 N198 S199 L204	V70-V202 WeakPolarHBondContact O-CA 3.41Å; V72-V202 HydrophobicContact CG2-CG1 3.83Å; W130-V202 HydrophobicContact CH2-CG2 4.01Å; W130-V202 HydrophobicContact CZ2-CG2 4.01Å; P132-V202 HydrophobicContact CB-CG1 4.07Å; P132-V202 HydrophobicContact CB-CG2 4.45Å; Y197-V202 VanDerWaalsContact CB-CG2 3.42Å; Y197-V202 HydrophobicContact CD2-CG2 3.75Å; Y197-V202 HydrophobicContact CG-CG2 3.7Å; N198-V202 PolarHBondContact O-N 3.47Å; S199-V202 WeakPolarHBondContact CA-O 3.33Å; V202-L204 HydrophobicContact CG1-CG 4.24Å
203	R	95.4	Very high	94.4	Very high	56 Å²	56	41.2 Å²	41.2	21%	0.211	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	99.2	173.8	-66.2	-168.5	-58.3	174.5	-2.3	109.8	V70 D71 V72 S199	V70-R203 PolarHBondContact O-N 3.03Å; D71-R203 IonicContact OD1-CZ 2.81Å; D71-R203 IonicContact OD1-NE 3.09Å; D71-R203 PolarHBondContact OD1-NE 2.95Å; D71-R203 IonicContact OD1-NH2 3.4Å; D71-R203 PolarHBondContact OD1-NH2 2.83Å; D71-R203 IonicContact OD2-CZ 3.08Å; D71-R203 IonicContact OD2-NE 3.54Å; D71-R203 IonicContact OD2-NH2 2.7Å; D71-R203 PolarHBondContact OD2-NH2 2.81Å; V72-R203 PolarHBondContact N-O 2.93Å; S199-R203 WeakPolarHBondContact O-CG 3.35Å
204	L	96.4	Very high	94.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	135.7	170	-71.5	168.9	0	0	0	110.7	V72 T74 C134 S194 V202 Q232 H243 L245	V72-L204 HydrophobicContact CB-CD2 3.84Å; V72-L204 HydrophobicContact CG1-CD2 3.83Å; T74-L204 HydrophobicContact CG2-CD2 3.81Å; C134-L204 VanDerWaalsContact SG-CD2 3.55Å; S194-L204 VanDerWaalsContact N-CD1 3.26Å; V202-L204 HydrophobicContact CG1-CG 4.24Å; L204-Q232 PolarHBondContact O-NE2 2.95Å; L204-H243 HydrophobicContact CB-CB 4.15Å; L204-H243 PolarHBondContact O-ND1 2.76Å; L204-L245 HydrophobicContact CB-CD1 3.89Å; L204-L245 HydrophobicContact CB-CD2 4.46Å; L204-L245 HydrophobicContact CB-CG 4Å
205	K	97	Very high	94.4	Very high	76 Å²	76	46.5 Å²	46.5	33%	0.33	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	140.3	174.6	-64.1	-179	-176.6	165.8	0	110	D71 V72 I73 T74	D71-K205 IonicContact OD2-NZ 3.23Å; D71-K205 PolarHBondContact OD2-NZ 2.86Å; V72-K205 PolarHBondContact O-N 2.68Å; I73-K205 CarbonylContact C-O 3.53Å; I73-K205 WeakPolarHBondContact CA-O 3.41Å; T74-K205 PolarHBondContact N-O 3.35Å; T74-K205 PolarHBondContact OG1-O 3.33Å
206	W	97.8	Very high	94.4	Very high	26 Å²	26	49.2 Å²	49.2	10%	0.098	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	146.2	165	-74.3	124.6	0	0	0	110.9	L76 P211 A230 L231 L245 A247	L76-W206 HydrophobicContact CB-CH2 4.19Å; L76-W206 HydrophobicContact CB-CZ3 3.98Å; W206-P211 HydrophobicContact CB-CB 3.69Å; W206-P211 HydrophobicContact CB-CG 4.13Å; W206-P211 HydrophobicContact CD2-CB 3.77Å; W206-P211 HydrophobicContact CD2-CG 4.31Å; W206-P211 HydrophobicContact CE3-CB 3.59Å; W206-P211 HydrophobicContact CG-CB 3.84Å; W206-P211 HydrophobicContact CG-CG 4.14Å; W206-P211 HydrophobicContact CZ3-CB 4.46Å; W206-A230 HydrophobicContact CD2-CB 4.37Å; W206-A230 HydrophobicContact CG-CB 4.45Å; W206-A230 HydrophobicContact CZ2-CB 4.45Å; W206-L231 PolarHBondContact NE1-O 3.39Å; W206-L245 HydrophobicContact CD2-CB 4.33Å; W206-L245 HydrophobicContact CD2-CD1 4.2Å; W206-L245 HydrophobicContact CD2-CD2 4.34Å; W206-L245 HydrophobicContact CE3-CD1 4.36Å; W206-L245 HydrophobicContact CG-CD2 4.13Å; W206-L245 HydrophobicContact CH2-CB 4.2Å; W206-L245 HydrophobicContact CZ2-CB 3.57Å; W206-A247 HydrophobicContact CZ2-CB 4.45Å
207	I	96.1	Very high	94.5	Very high	28 Å²	28	53.3 Å²	53.3	14%	0.144	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-59.5	141	170.6	-169.9	167.4	0	0	0	110.9	I73 T74 E75 G209 P211	I73-I207 HydrophobicContact CG2-CB 3.76Å; I73-I207 HydrophobicContact CG2-CG1 4.07Å; T74-I207 PolarHBondContact O-N 3.16Å; E75-I207 HydrophobicContact CB-CG2 3.92Å; E75-I207 HydrophobicContact CG-CG2 3.8Å; I207-G209 PolarHBondContact O-N 3.29Å; I207-P211 HydrophobicContact CG2-CB 4.13Å
208	N	92.2	Very high	94.5	Very high	125 Å²	125	53.7 Å²	53.7	67%	0.668	29%	0.285	S	S	*	.	S	Bend	trans	-62.6	131.4	177.8	-66.9	-29.7	0	0	0	110.8
209	G	90.3	Very high	94.3	Very high	66 Å²	66	61 Å²	61	68%	0.68	31%	0.31	S	S	*	.	S	Bend	trans	105	-117.8	-177.3	0	0	0	0	0	111.5	I207 P211	I207-G209 PolarHBondContact O-N 3.29Å; G209-P211 VanDerWaalsContact O-CD 3.28Å; G209-P211 WeakPolarHBondContact O-CD 3.33Å
210	N	92.2	Very high	94.2	Very high	132 Å²	132	61.4 Å²	61.4	71%	0.706	31%	0.312	S	S	*	.			trans	-103.1	104.3	179.3	-67.7	-16.9	0	0	0	110
211	P	95	Very high	94	Very high	21 Å²	21	62.1 Å²	62.1	14%	0.136	32%	0.321	C	S	.	.			trans	-82.4	-16.4	-179.3	31.6	-37.1	0	0	0	114.8	L76 W206 I207 G209 A230	L76-P211 PolarHBondContact N-O 2.9Å; W206-P211 HydrophobicContact CB-CB 3.69Å; W206-P211 HydrophobicContact CB-CG 4.13Å; W206-P211 HydrophobicContact CD2-CB 3.77Å; W206-P211 HydrophobicContact CD2-CG 4.31Å; W206-P211 HydrophobicContact CE3-CB 3.59Å; W206-P211 HydrophobicContact CG-CB 3.84Å; W206-P211 HydrophobicContact CG-CG 4.14Å; W206-P211 HydrophobicContact CZ3-CB 4.46Å; I207-P211 HydrophobicContact CG2-CB 4.13Å; G209-P211 VanDerWaalsContact O-CD 3.28Å; G209-P211 WeakPolarHBondContact O-CD 3.33Å; P211-A230 HydrophobicContact CB-CB 4.33Å; P211-A230 HydrophobicContact CG-CB 3.34Å
212	I	97.1	Very high	93.9	Very high	8 Å²	8	64.4 Å²	64.4	4%	0.041	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.1	176	-58.2	174.9	0	0	0	108.4	L76 V78 Y228 S229 A230 A247 F249	L76-I212 HydrophobicContact CB-CG1 4.43Å; L76-I212 HydrophobicContact CD2-CG1 4.24Å; L76-I212 VanDerWaalsContact O-CA 3.31Å; L76-I212 WeakPolarHBondContact O-CA 3.34Å; V78-I212 HydrophobicContact CG2-CG2 4.24Å; I212-Y228 HydrophobicContact CB-CD2 3.94Å; I212-Y228 HydrophobicContact CB-CE2 4.19Å; I212-Y228 HydrophobicContact CD1-CD2 4.44Å; I212-Y228 HydrophobicContact CG2-CD2 3.72Å; I212-Y228 HydrophobicContact CG2-CE2 4.09Å; I212-S229 WeakPolarHBondContact CD1-O 3.12Å; I212-A230 HydrophobicContact CD1-CB 3.86Å; I212-A230 HydrophobicContact CG1-CB 4.1Å; I212-A247 HydrophobicContact CD1-CB 3.77Å; I212-F249 HydrophobicContact CG2-CE1 4.3Å
213	T	96.5	Very high	93.8	Very high	47 Å²	47	64.5 Å²	64.5	29%	0.288	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.8	177.7	-62.7	0	0	0	0	109.6	L76 W77 V78	L76-T213 PolarHBondContact O-N 2.88Å; W77-T213 CarbonylContact C-O 3.58Å; W77-T213 VanDerWaalsContact CA-O 3.3Å; W77-T213 WeakPolarHBondContact CA-O 3.43Å; V78-T213 PolarHBondContact N-O 2.85Å
214	L	96.6	Very high	93.8	Very high	47 Å²	47	68.3 Å²	68.3	25%	0.246	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.7	173.3	-54.9	-177.7	0	0	0	109.1	V78 K216 I218 L225 Y228	V78-L214 HydrophobicContact CB-CD2 3.71Å; V78-L214 HydrophobicContact CG1-CD2 4.25Å; V78-L214 HydrophobicContact CG2-CD2 3.98Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-I218 HydrophobicContact CD1-CG1 4.29Å; L214-I218 HydrophobicContact CD2-CG1 4.41Å; L214-L225 HydrophobicContact CD1-CD2 3.83Å; L214-Y228 HydrophobicContact CD1-CD1 4.12Å; L214-Y228 HydrophobicContact CD1-CE1 3.64Å; L214-Y228 HydrophobicContact CG-CE1 4.13Å
215	L	95	Very high	93.7	Very high	76 Å²	76	69.6 Å²	69.6	40%	0.398	36%	0.359	S	S	.	.	S	Bend	trans	-76.8	-19.8	-178.8	-66.2	174.2	0	0	0	113.6	W77 V78 Q79 Y96	W77-L215 HydrophobicContact CB-CD1 4.32Å; W77-L215 HydrophobicContact CB-CG 4.33Å; W77-L215 HydrophobicContact CD2-CD2 4.14Å; W77-L215 HydrophobicContact CE3-CD1 4.35Å; W77-L215 HydrophobicContact CE3-CD2 3.4Å; W77-L215 VanDerWaalsContact CE3-CD2 3.4Å; W77-L215 HydrophobicContact CE3-CG 4.32Å; W77-L215 HydrophobicContact CZ3-CD2 3.87Å; V78-L215 PolarHBondContact O-N 2.83Å; Q79-L215 HydrophobicContact CB-CD1 4.11Å; Q79-L215 HydrophobicContact CG-CD1 4.44Å; Y96-L215 HydrophobicContact CD2-CD1 3.79Å; Y96-L215 HydrophobicContact CE2-CD1 3.81Å
216	K	93.1	Very high	93.6	Very high	95 Å²	95	69.6 Å²	69.6	41%	0.413	36%	0.362	S	S	.	.	S	Bend	trans	-150.1	164.5	174.2	67.4	-176.4	-169.9	175.8	0	109.8	Q79 E80 L214 I218	Q79-K216 WeakPolarHBondContact O-CE 3.27Å; Q79-K216 WeakPolarHBondContact O-CG 3.43Å; E80-K216 IonicContact OE1-NZ 2.81Å; E80-K216 PolarHBondContact OE1-NZ 2.85Å; E80-K216 IonicContact OE2-NZ 2.71Å; E80-K216 PolarHBondContact OE2-NZ 3.4Å; L214-K216 VanDerWaalsContact C-N 3.31Å; K216-I218 PolarHBondContact O-N 3.46Å
217	E	92.3	Very high	93.5	Very high	134 Å²	134	70.9 Å²	70.9	63%	0.626	38%	0.375	S	S	*	.			trans	-61.6	124.8	168.8	-171.6	-175.4	-162	0	0	109.6	R219	E217-R219 HydrophobicContact CG-CG 4.45Å; E217-R219 PolarHBondContact O-N 3.3Å; E217-R219 IonicContact OE2-CZ 3.69Å; E217-R219 IonicContact OE2-NE 2.79Å; E217-R219 PolarHBondContact OE2-NE 2.68Å; E217-R219 IonicContact OE2-NH2 3.5Å; E217-R219 PolarHBondContact OE2-NH2 3.29Å
218	I	93.1	Very high	93.5	Very high	20 Å²	20	74.7 Å²	74.7	10%	0.103	39%	0.388	C	S	.	.			trans	-80.7	109.5	-179.1	-54.6	-62.5	0	0	0	108.7	V78 I81 L214 K216 L220 L225	V78-I218 HydrophobicContact CG1-CD1 4.19Å; I81-I218 HydrophobicContact CB-CG2 3.92Å; I81-I218 HydrophobicContact CD1-CG1 4.43Å; I81-I218 HydrophobicContact CD1-CG2 4.02Å; I81-I218 HydrophobicContact CG1-CD1 4.25Å; I81-I218 HydrophobicContact CG1-CG2 4.14Å; L214-I218 HydrophobicContact CD1-CG1 4.29Å; L214-I218 HydrophobicContact CD2-CG1 4.41Å; K216-I218 PolarHBondContact O-N 3.46Å; I218-L220 HydrophobicContact CG2-CD1 4.34Å; I218-L220 HydrophobicContact CG2-CG 4.38Å; I218-L225 HydrophobicContact CB-CD2 4.29Å; I218-L225 HydrophobicContact CG1-CD2 4.09Å
219	R	88.7	Confident	93.7	Very high	192 Å²	192	71.6 Å²	71.6	73%	0.725	38%	0.376	S	S	*	.	B	Isolated β-bridge	trans	-111.3	113.8	176	-63.5	-175	-176.8	172.9	0.9	109.5	E217	E217-R219 HydrophobicContact CG-CG 4.45Å; E217-R219 PolarHBondContact O-N 3.3Å; E217-R219 IonicContact OE2-CZ 3.69Å; E217-R219 IonicContact OE2-NE 2.79Å; E217-R219 PolarHBondContact OE2-NE 2.68Å; E217-R219 IonicContact OE2-NH2 3.5Å; E217-R219 PolarHBondContact OE2-NH2 3.29Å
220	L	92.2	Very high	94	Very high	14 Å²	14	70.2 Å²	70.2	7%	0.073	36%	0.359	C	S	.	.			trans	-111.5	146.5	171.5	-68.9	159.3	0	0	0	108	I81 I84 I218 Y223 F251	I81-L220 HydrophobicContact CG2-CD1 4.22Å; I81-L220 HydrophobicContact CG2-CD2 4.44Å; I81-L220 WeakPolarHBondContact O-CD2 3.47Å; I84-L220 HydrophobicContact CD1-CD1 3.99Å; I84-L220 HydrophobicContact CG1-CD1 4.4Å; I218-L220 HydrophobicContact CG2-CD1 4.34Å; I218-L220 HydrophobicContact CG2-CG 4.38Å; L220-Y223 WeakPolarHBondContact CB-O 3.42Å; L220-Y223 VanDerWaalsContact O-O 3.07Å; L220-F251 HydrophobicContact CD1-CD1 3.93Å; L220-F251 HydrophobicContact CD1-CE1 3.75Å
221	P	88.6	Confident	94.2	Very high	98 Å²	98	68.7 Å²	68.7	64%	0.636	35%	0.35	S	S	*	.	S	Bend	trans	-64.6	-47.7	-179.7	23.6	-31.8	0	0	0	111.9
222	D	90.7	Very high	94.3	Very high	87 Å²	87	71.5 Å²	71.5	47%	0.465	36%	0.361	S	S	.	.	S	Bend	trans	-98.9	-5.7	-172.2	-51.1	-46.9	0	0	0	113.2	Q254	D222-Q254 PolarHBondContact O-N 3.27Å
223	Y	93.7	Very high	94.3	Very high	5 Å²	5	73.3 Å²	73.3	2%	0.02	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	155.3	-170.6	-68.9	-83.4	0	0	0	113	I84 E86 H186 L220 F251 Q252 R253	I84-Y223 HydrophobicContact CB-CD2 4.09Å; I84-Y223 HydrophobicContact CB-CE2 3.93Å; I84-Y223 HydrophobicContact CD1-CD1 4.18Å; I84-Y223 HydrophobicContact CD1-CD2 3.99Å; I84-Y223 HydrophobicContact CD1-CE2 4.46Å; I84-Y223 HydrophobicContact CD1-CG 3.83Å; I84-Y223 HydrophobicContact CG1-CD2 4.45Å; I84-Y223 HydrophobicContact CG2-CE2 4.17Å; E86-Y223 WeakPolarHBondContact CG-OH 3.44Å; E86-Y223 WeakPolarHBondContact OE1-CE2 3.35Å; E86-Y223 PolarHBondContact OE1-OH 2.88Å; H186-Y223 AromaticContact CE1-CE1 3.94Å; H186-Y223 AromaticContact ND1-CE1 3.63Å; L220-Y223 WeakPolarHBondContact CB-O 3.42Å; L220-Y223 VanDerWaalsContact O-O 3.07Å; Y223-F251 HydrophobicContact CD1-CB 4.08Å; Y223-Q252 CarbonylContact C-O 3.55Å; Y223-Q252 VanDerWaalsContact CA-O 3.28Å; Y223-Q252 WeakPolarHBondContact CA-O 3.45Å; Y223-R253 HydrophobicContact CD1-CB 4.38Å; Y223-R253 HydrophobicContact CE1-CB 4.14Å; Y223-R253 HydrophobicContact CE1-CG 4.49Å; Y223-R253 PolarHBondContact OH-NH1 2.85Å; Y223-R253 PolarHBondContact OH-NH2 2.9Å
224	K	94.1	Very high	94.2	Very high	137 Å²	137	75 Å²	75	60%	0.596	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.5	171	-173.6	179.2	-179.8	-177.9	0	109.2	I226 F251 Q252	K224-I226 PolarHBondContact O-N 3.19Å; K224-F251 CarbonylContact O-C 3.56Å; K224-F251 WeakPolarHBondContact O-CA 3.42Å; K224-Q252 PolarHBondContact N-O 2.92Å; K224-Q252 PolarHBondContact O-N 3.23Å
225	L	95.7	Very high	94.1	Very high	28 Å²	28	78.2 Å²	78.2	15%	0.147	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	115.8	171.6	-179	66.6	0	0	0	109	L214 I218 Y228 F249 F251	L214-L225 HydrophobicContact CD1-CD2 3.83Å; I218-L225 HydrophobicContact CB-CD2 4.29Å; I218-L225 HydrophobicContact CG1-CD2 4.09Å; L225-Y228 HydrophobicContact CD2-CD1 4.16Å; L225-F249 HydrophobicContact CD1-CB 4.12Å; L225-F249 HydrophobicContact CD1-CD1 4.27Å; L225-F251 HydrophobicContact CB-CD1 4.2Å; L225-F251 HydrophobicContact CB-CE1 4.16Å; L225-F251 HydrophobicContact CD1-CD1 4.02Å; L225-F251 HydrophobicContact CD1-CE1 3.69Å; L225-F251 HydrophobicContact CD1-CZ 4.06Å; L225-F251 HydrophobicContact CG-CE1 4.49Å
226	I	94	Very high	94.1	Very high	75 Å²	75	80.2 Å²	80.2	39%	0.385	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-50.4	179.8	-50.8	177	0	0	0	110.1	Q185 K224 T250 Q252	Q185-I226 HydrophobicContact CG-CD1 4.03Å; K224-I226 PolarHBondContact O-N 3.19Å; I226-T250 HydrophobicContact CD1-CG2 4.24Å; I226-T250 PolarHBondContact N-O 3.09Å; I226-Q252 HydrophobicContact CD1-CB 3.52Å; I226-Q252 HydrophobicContact CD1-CG 4.03Å; I226-Q252 HydrophobicContact CG1-CB 3.62Å
227	S	95.4	Very high	94.1	Very high	54 Å²	54	80 Å²	80	38%	0.378	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	157.6	-173.3	60	0	0	0	0	110.5	T250	S227-T250 PolarHBondContact N-O 3.06Å; S227-T250 PolarHBondContact O-N 2.9Å; S227-T250 WeakPolarHBondContact OG-CB 3.08Å; S227-T250 PolarHBondContact OG-OG1 3.05Å
228	Y	96.6	Very high	94.1	Very high	107 Å²	107	82.7 Å²	82.7	42%	0.42	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	148	169.4	55	-85.7	0	0	0	108.3	I212 L214 L225 T248	I212-Y228 HydrophobicContact CB-CD2 3.94Å; I212-Y228 HydrophobicContact CB-CE2 4.19Å; I212-Y228 HydrophobicContact CD1-CD2 4.44Å; I212-Y228 HydrophobicContact CG2-CD2 3.72Å; I212-Y228 HydrophobicContact CG2-CE2 4.09Å; L214-Y228 HydrophobicContact CD1-CD1 4.12Å; L214-Y228 HydrophobicContact CD1-CE1 3.64Å; L214-Y228 HydrophobicContact CG-CE1 4.13Å; L225-Y228 HydrophobicContact CD2-CD1 4.16Å; Y228-T248 CarbonylContact C-O 3.56Å; Y228-T248 WeakPolarHBondContact CA-O 3.17Å
229	S	96.7	Very high	94.1	Very high	60 Å²	60	86.8 Å²	86.8	42%	0.42	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	150.2	-178.8	56.8	0	0	0	0	110.5	I212 T248	I212-S229 WeakPolarHBondContact CD1-O 3.12Å; S229-T248 PolarHBondContact N-O 2.84Å; S229-T248 PolarHBondContact O-N 3.48Å
230	A	97.4	Very high	94.3	Very high	38 Å²	38	78.7 Å²	78.7	31%	0.314	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.9	173.4	0	0	0	0	0	108.7	W206 P211 I212 I246	W206-A230 HydrophobicContact CD2-CB 4.37Å; W206-A230 HydrophobicContact CG-CB 4.45Å; W206-A230 HydrophobicContact CZ2-CB 4.45Å; P211-A230 HydrophobicContact CB-CB 4.33Å; P211-A230 HydrophobicContact CG-CB 3.34Å; I212-A230 HydrophobicContact CD1-CB 3.86Å; I212-A230 HydrophobicContact CG1-CB 4.1Å; A230-I246 CarbonylContact C-O 3.58Å; A230-I246 WeakPolarHBondContact CA-O 3.49Å
231	L	96.7	Very high	94.4	Very high	99 Å²	99	83.5 Å²	83.5	52%	0.518	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.4	176.5	-173.6	69.7	0	0	0	108.7	W206 V233 I246	W206-L231 PolarHBondContact NE1-O 3.39Å; L231-V233 HydrophobicContact CD2-CG2 3.46Å; L231-V233 VanDerWaalsContact CD2-CG2 3.46Å; L231-V233 HydrophobicContact CG-CG2 3.67Å; L231-I246 HydrophobicContact CB-CB 4.39Å; L231-I246 PolarHBondContact N-O 3.37Å; L231-I246 PolarHBondContact O-N 3.15Å
232	Q	96.5	Very high	94.8	Very high	81 Å²	81	80.2 Å²	80.2	38%	0.379	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.2	169	173.5	169.3	-3.7	0	0	108.2	L204 E244 L245	L204-Q232 PolarHBondContact O-NE2 2.95Å; Q232-E244 WeakPolarHBondContact CA-O 3.33Å; Q232-L245 HydrophobicContact CB-CD2 3.92Å; Q232-L245 HydrophobicContact CG-CD2 3.8Å
233	V	96.3	Very high	95.1	Very high	46 Å²	46	77.4 Å²	77.4	28%	0.279	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.1	-178.5	-176.2	0	0	0	0	109.2	L231 E244 I246	L231-V233 HydrophobicContact CD2-CG2 3.46Å; L231-V233 VanDerWaalsContact CD2-CG2 3.46Å; L231-V233 HydrophobicContact CG-CG2 3.67Å; V233-E244 PolarHBondContact N-O 3.3Å; V233-E244 PolarHBondContact O-N 3.1Å; V233-I246 HydrophobicContact CG2-CD1 4.11Å
234	Q	95.5	Very high	95.3	Very high	82 Å²	82	77.2 Å²	77.2	38%	0.383	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.9	167.5	-173.5	167.5	6	0	0	108.8	R241 W242	Q234-R241 HydrophobicContact CG-CB 4.28Å; Q234-W242 CarbonylContact C-O 3.51Å; Q234-W242 WeakPolarHBondContact CA-O 3.28Å
235	R	94.6	Very high	95.4	Very high	115 Å²	115	70.7 Å²	70.7	43%	0.434	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.5	176.1	-177.7	149.9	-67.1	140.2	-5.3	110.8	Y237 R241 W242 E244	R235-Y237 HydrophobicContact CB-CE2 4.13Å; R235-Y237 HydrophobicContact CG-CD2 4.3Å; R235-Y237 HydrophobicContact CG-CE1 4.32Å; R235-Y237 HydrophobicContact CG-CE2 3.96Å; R235-R241 WeakPolarHBondContact O-CA 3.4Å; R235-W242 PolarHBondContact N-O 3.36Å; R235-W242 PolarHBondContact O-N 2.77Å; R235-E244 HydrophobicContact CB-CG 4.25Å; R235-E244 WeakPolarHBondContact CB-OE1 3.3Å; R235-E244 WeakPolarHBondContact CD-OE1 3.37Å; R235-E244 IonicContact CZ-OE1 2.73Å; R235-E244 IonicContact CZ-OE2 3.77Å; R235-E244 IonicContact NE-OE1 3.4Å; R235-E244 IonicContact NH1-OE1 2.85Å; R235-E244 PolarHBondContact NH1-OE1 3.44Å; R235-E244 IonicContact NH1-OE2 3.52Å; R235-E244 PolarHBondContact NH1-OE2 2.91Å
236	D	95	Very high	95.5	Very high	118 Å²	118	70.5 Å²	70.5	63%	0.631	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.9	174.3	-59.1	-37.5	0	0	0	109.5	R241	D236-R241 WeakPolarHBondContact OD1-CD 3.36Å; D236-R241 WeakPolarHBondContact OD1-CG 2.79Å
237	Y	92.7	Very high	95.7	Very high	91 Å²	91	67 Å²	67	36%	0.357	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	161.9	169.1	-63.3	-80.2	0	0	0	109.2	E193 R235 G240 W242 E244	E193-Y237 VanDerWaalsContact OE1-CE2 3.31Å; E193-Y237 WeakPolarHBondContact OE1-CE2 3.4Å; E193-Y237 PolarHBondContact OE2-OH 3.09Å; R235-Y237 HydrophobicContact CB-CE2 4.13Å; R235-Y237 HydrophobicContact CG-CD2 4.3Å; R235-Y237 HydrophobicContact CG-CE1 4.32Å; R235-Y237 HydrophobicContact CG-CE2 3.96Å; Y237-G240 CarbonylContact C-O 3.37Å; Y237-G240 WeakPolarHBondContact CA-O 3.2Å; Y237-G240 PolarHBondContact N-O 2.79Å; Y237-G240 PolarHBondContact O-N 3.07Å; Y237-G240 VanDerWaalsContact O-N 3.07Å; Y237-W242 HydrophobicContact CD2-CB 4.15Å; Y237-W242 HydrophobicContact CD2-CD2 4.03Å; Y237-W242 AromaticContact CD2-CE3 3.59Å; Y237-W242 HydrophobicContact CD2-CE3 3.59Å; Y237-W242 HydrophobicContact CD2-CG 4.28Å; Y237-W242 HydrophobicContact CD2-CZ3 4.31Å; Y237-W242 HydrophobicContact CE2-CB 3.97Å; Y237-W242 HydrophobicContact CE2-CD2 4.49Å; Y237-W242 HydrophobicContact CE2-CE3 4.46Å; Y237-W242 HydrophobicContact CE2-CG 4.32Å; Y237-W242 HydrophobicContact CG-CE3 4.33Å; Y237-E244 PolarHBondContact OH-OE1 2.77Å; Y237-E244 VanDerWaalsContact OH-OE1 3.06Å
238	L	92.5	Very high	95.8	Very high	189 Å²	189	65.1 Å²	65.1	99%	0.99	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-46.7	176	-83.4	146.5	0	0	0	114.5	G240	L238-G240 VanDerWaalsContact C-N 3.34Å; L238-G240 PolarHBondContact O-N 3.22Å
239	P	91.7	Very high	95.9	Very high	106 Å²	106	60 Å²	60	69%	0.688	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.8	-179.7	28.2	-34.3	0	0	0	115.2	W242	P239-W242 HydrophobicContact CB-CH2 4.17Å; P239-W242 HydrophobicContact CB-CZ3 4.48Å; P239-W242 HydrophobicContact CG-CH2 3.72Å; P239-W242 HydrophobicContact CG-CZ3 3.89Å
240	G	93.5	Very high	95.8	Very high	22 Å²	22	57.9 Å²	57.9	23%	0.227	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.2	-164.8	-173.3	0	0	0	0	0	113.5	Y237 L238 W242	Y237-G240 CarbonylContact C-O 3.37Å; Y237-G240 WeakPolarHBondContact CA-O 3.2Å; Y237-G240 PolarHBondContact N-O 2.79Å; Y237-G240 PolarHBondContact O-N 3.07Å; Y237-G240 VanDerWaalsContact O-N 3.07Å; L238-G240 VanDerWaalsContact C-N 3.34Å; L238-G240 PolarHBondContact O-N 3.22Å; G240-W242 VanDerWaalsContact C-CE3 3.44Å; G240-W242 VanDerWaalsContact O-CZ3 3.31Å; G240-W242 WeakPolarHBondContact O-CZ3 3.28Å
241	R	95.6	Very high	95.7	Very high	116 Å²	116	56 Å²	56	44%	0.438	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.5	-175.2	-52.5	-175.1	-77.1	162.5	-3.3	110.5	S199 Q234 R235 D236	S199-R241 VanDerWaalsContact CB-O 3.23Å; S199-R241 WeakPolarHBondContact CB-O 3.33Å; S199-R241 PolarHBondContact N-O 2.79Å; S199-R241 PolarHBondContact OG-O 2.84Å; Q234-R241 HydrophobicContact CG-CB 4.28Å; R235-R241 WeakPolarHBondContact O-CA 3.4Å; D236-R241 WeakPolarHBondContact OD1-CD 3.36Å; D236-R241 WeakPolarHBondContact OD1-CG 2.79Å
242	W	96.2	Very high	95.5	Very high	29 Å²	29	54.2 Å²	54.2	11%	0.11	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151	-179.3	-84.3	-108.2	0	0	0	111.1	E193 S194 Y197 N198 Q234 R235 Y237 P239 G240	E193-W242 HydrophobicContact CG-CB 4.03Å; E193-W242 HydrophobicContact CG-CG 4.28Å; E193-W242 WeakPolarHBondContact OE1-CB 3.3Å; S194-W242 PolarHBondContact O-NE1 2.8Å; S194-W242 VanDerWaalsContact O-NE1 3.09Å; Y197-W242 VanDerWaalsContact O-CD1 3.26Å; Y197-W242 PolarHBondContact O-NE1 2.8Å; N198-W242 HydrophobicContact CB-CD2 4.22Å; N198-W242 HydrophobicContact CB-CE3 4.32Å; N198-W242 HydrophobicContact CB-CH2 4.03Å; N198-W242 HydrophobicContact CB-CZ2 3.91Å; N198-W242 HydrophobicContact CB-CZ3 4.26Å; Q234-W242 CarbonylContact C-O 3.51Å; Q234-W242 WeakPolarHBondContact CA-O 3.28Å; R235-W242 PolarHBondContact N-O 3.36Å; R235-W242 PolarHBondContact O-N 2.77Å; Y237-W242 HydrophobicContact CD2-CB 4.15Å; Y237-W242 HydrophobicContact CD2-CD2 4.03Å; Y237-W242 AromaticContact CD2-CE3 3.59Å; Y237-W242 HydrophobicContact CD2-CE3 3.59Å; Y237-W242 HydrophobicContact CD2-CG 4.28Å; Y237-W242 HydrophobicContact CD2-CZ3 4.31Å; Y237-W242 HydrophobicContact CE2-CB 3.97Å; Y237-W242 HydrophobicContact CE2-CD2 4.49Å; Y237-W242 HydrophobicContact CE2-CE3 4.46Å; Y237-W242 HydrophobicContact CE2-CG 4.32Å; Y237-W242 HydrophobicContact CG-CE3 4.33Å; P239-W242 HydrophobicContact CB-CH2 4.17Å; P239-W242 HydrophobicContact CB-CZ3 4.48Å; P239-W242 HydrophobicContact CG-CH2 3.72Å; P239-W242 HydrophobicContact CG-CZ3 3.89Å; G240-W242 VanDerWaalsContact C-CE3 3.44Å; G240-W242 VanDerWaalsContact O-CZ3 3.31Å; G240-W242 WeakPolarHBondContact O-CZ3 3.28Å
243	H	96.9	Very high	95.4	Very high	28 Å²	28	50.5 Å²	50.5	13%	0.13	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.2	168.9	-70	174.4	0	0	0	109.1	L204	L204-H243 HydrophobicContact CB-CB 4.15Å; L204-H243 PolarHBondContact O-ND1 2.76Å
244	E	96.9	Very high	95.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132.3	174.3	-73.7	-174.4	-167.1	0	0	110.3	T191 E193 Q232 V233 R235 Y237 I246	T191-E244 HydrophobicContact CG2-CB 3.91Å; T191-E244 HydrophobicContact CG2-CG 3.76Å; T191-E244 WeakPolarHBondContact CG2-OE2 3.48Å; E193-E244 HydrophobicContact CG-CG 4.32Å; E193-E244 WeakPolarHBondContact OE2-CG 3.48Å; Q232-E244 WeakPolarHBondContact CA-O 3.33Å; V233-E244 PolarHBondContact N-O 3.3Å; V233-E244 PolarHBondContact O-N 3.1Å; R235-E244 HydrophobicContact CB-CG 4.25Å; R235-E244 WeakPolarHBondContact CB-OE1 3.3Å; R235-E244 WeakPolarHBondContact CD-OE1 3.37Å; R235-E244 IonicContact CZ-OE1 2.73Å; R235-E244 IonicContact CZ-OE2 3.77Å; R235-E244 IonicContact NE-OE1 3.4Å; R235-E244 IonicContact NH1-OE1 2.85Å; R235-E244 PolarHBondContact NH1-OE1 3.44Å; R235-E244 IonicContact NH1-OE2 3.52Å; R235-E244 PolarHBondContact NH1-OE2 2.91Å; Y237-E244 PolarHBondContact OH-OE1 2.77Å; Y237-E244 VanDerWaalsContact OH-OE1 3.06Å; E244-I246 HydrophobicContact CB-CG1 4.45Å
245	L	98	Very high	95	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.4	173.1	-61.6	-173.5	0	0	0	108.8	T74 Y192 L204 W206 Q232	T74-L245 HydrophobicContact CG2-CD1 3.99Å; T74-L245 WeakPolarHBondContact OG1-CD1 3.4Å; Y192-L245 PolarHBondContact N-O 3.34Å; Y192-L245 PolarHBondContact O-N 3.06Å; L204-L245 HydrophobicContact CB-CD1 3.89Å; L204-L245 HydrophobicContact CB-CD2 4.46Å; L204-L245 HydrophobicContact CB-CG 4Å; W206-L245 HydrophobicContact CD2-CB 4.33Å; W206-L245 HydrophobicContact CD2-CD1 4.2Å; W206-L245 HydrophobicContact CD2-CD2 4.34Å; W206-L245 HydrophobicContact CE3-CD1 4.36Å; W206-L245 HydrophobicContact CG-CD2 4.13Å; W206-L245 HydrophobicContact CH2-CB 4.2Å; W206-L245 HydrophobicContact CZ2-CB 3.57Å; Q232-L245 HydrophobicContact CB-CD2 3.92Å; Q232-L245 HydrophobicContact CG-CD2 3.8Å
246	I	97.9	Very high	94.8	Very high	23 Å²	23	50.3 Å²	50.3	12%	0.118	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.9	-172.9	-55	173.6	0	0	0	109.2	F189 L190 T191 A230 L231 V233 E244	F189-I246 HydrophobicContact CB-CG2 4.17Å; L190-I246 CarbonylContact O-C 3.56Å; L190-I246 VanDerWaalsContact O-CA 3.31Å; L190-I246 WeakPolarHBondContact O-CA 3.13Å; T191-I246 HydrophobicContact CG2-CG1 4.32Å; A230-I246 CarbonylContact C-O 3.58Å; A230-I246 WeakPolarHBondContact CA-O 3.49Å; L231-I246 HydrophobicContact CB-CB 4.39Å; L231-I246 PolarHBondContact N-O 3.37Å; L231-I246 PolarHBondContact O-N 3.15Å; V233-I246 HydrophobicContact CG2-CD1 4.11Å; E244-I246 HydrophobicContact CB-CG1 4.45Å
247	A	98	Very high	94.7	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.1	169.5	0	0	0	0	0	109.2	L76 F189 L190 W206 I212 F249	L76-A247 HydrophobicContact CD2-CB 3.53Å; F189-A247 CarbonylContact C-O 3.48Å; F189-A247 VanDerWaalsContact CA-O 3.25Å; F189-A247 WeakPolarHBondContact CA-O 3.26Å; L190-A247 PolarHBondContact N-O 3.45Å; L190-A247 PolarHBondContact O-N 2.86Å; W206-A247 HydrophobicContact CZ2-CB 4.45Å; I212-A247 HydrophobicContact CD1-CB 3.77Å; A247-F249 HydrophobicContact CB-CE2 4.14Å; A247-F249 HydrophobicContact CB-CZ 4.42Å
248	T	97.5	Very high	94.6	Very high	16 Å²	16	47 Å²	47	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.8	-179.6	-55.9	0	0	0	0	110.3	C188 Y228 S229	C188-T248 CarbonylContact O-C 3.52Å; C188-T248 WeakPolarHBondContact O-CA 3.43Å; Y228-T248 CarbonylContact C-O 3.56Å; Y228-T248 WeakPolarHBondContact CA-O 3.17Å; S229-T248 PolarHBondContact N-O 2.84Å; S229-T248 PolarHBondContact O-N 3.48Å
249	F	97.2	Very high	94.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.7	175.5	-57.3	-83.8	0	0	0	109.1	L76 V78 I81 F91 L93 C188 L190 I212 L225 A247 F251	L76-F249 HydrophobicContact CD2-CZ 4.16Å; V78-F249 HydrophobicContact CG2-CE1 3.81Å; V78-F249 HydrophobicContact CG2-CZ 3.7Å; I81-F249 HydrophobicContact CD1-CD1 4.39Å; F91-F249 AromaticContact CE2-CD2 3.93Å; F91-F249 HydrophobicContact CE2-CD2 3.93Å; F91-F249 HydrophobicContact CE2-CE2 4.48Å; F91-F249 HydrophobicContact CZ-CD2 4.18Å; L93-F249 HydrophobicContact CD1-CE2 4.36Å; C188-F249 PolarHBondContact N-O 2.85Å; C188-F249 PolarHBondContact O-N 2.78Å; L190-F249 HydrophobicContact CD1-CE2 4.37Å; I212-F249 HydrophobicContact CG2-CE1 4.3Å; L225-F249 HydrophobicContact CD1-CB 4.12Å; L225-F249 HydrophobicContact CD1-CD1 4.27Å; A247-F249 HydrophobicContact CB-CE2 4.14Å; A247-F249 HydrophobicContact CB-CZ 4.42Å; F249-F251 HydrophobicContact CB-CD2 4.44Å; F249-F251 HydrophobicContact CB-CE2 3.57Å; F249-F251 HydrophobicContact CB-CZ 3.78Å
250	T	95.7	Very high	94.6	Very high	14 Å²	14	40.8 Å²	40.8	9%	0.086	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.6	179.6	-51.8	0	0	0	0	109.4	H186 R187 I226 S227	H186-T250 CarbonylContact O-C 3.5Å; H186-T250 WeakPolarHBondContact O-CA 3.16Å; R187-T250 HydrophobicContact CG-CG2 4.25Å; I226-T250 HydrophobicContact CD1-CG2 4.24Å; I226-T250 PolarHBondContact N-O 3.09Å; S227-T250 PolarHBondContact N-O 3.06Å; S227-T250 PolarHBondContact O-N 2.9Å; S227-T250 WeakPolarHBondContact OG-CB 3.08Å; S227-T250 PolarHBondContact OG-OG1 3.05Å
251	F	95	Very high	94.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.5	-178.6	-58.1	-85.9	0	0	0	111.2	I81 I84 F91 Q185 H186 C188 L220 Y223 K224 L225 F249	I81-F251 HydrophobicContact CD1-CE1 3.91Å; I81-F251 HydrophobicContact CD1-CZ 3.62Å; I81-F251 HydrophobicContact CG2-CE1 4.4Å; I81-F251 HydrophobicContact CG2-CZ 4.13Å; I84-F251 HydrophobicContact CD1-CB 3.94Å; I84-F251 HydrophobicContact CD1-CD1 3.67Å; I84-F251 HydrophobicContact CD1-CD2 3.58Å; I84-F251 HydrophobicContact CD1-CE1 3.98Å; I84-F251 HydrophobicContact CD1-CE2 3.9Å; I84-F251 HydrophobicContact CD1-CG 3.44Å; I84-F251 VanDerWaalsContact CD1-CG 3.44Å; I84-F251 HydrophobicContact CD1-CZ 4.08Å; F91-F251 HydrophobicContact CD2-CE2 4.47Å; Q185-F251 CarbonylContact C-O 3.54Å; Q185-F251 VanDerWaalsContact CA-O 3.3Å; Q185-F251 WeakPolarHBondContact CA-O 3.25Å; H186-F251 PolarHBondContact N-O 3.12Å; H186-F251 PolarHBondContact O-N 3.25Å; C188-F251 HydrophobicContact CB-CE2 4.2Å; L220-F251 HydrophobicContact CD1-CD1 3.93Å; L220-F251 HydrophobicContact CD1-CE1 3.75Å; Y223-F251 HydrophobicContact CD1-CB 4.08Å; K224-F251 CarbonylContact O-C 3.56Å; K224-F251 WeakPolarHBondContact O-CA 3.42Å; L225-F251 HydrophobicContact CB-CD1 4.2Å; L225-F251 HydrophobicContact CB-CE1 4.16Å; L225-F251 HydrophobicContact CD1-CD1 4.02Å; L225-F251 HydrophobicContact CD1-CE1 3.69Å; L225-F251 HydrophobicContact CD1-CZ 4.06Å; L225-F251 HydrophobicContact CG-CE1 4.49Å; F249-F251 HydrophobicContact CB-CD2 4.44Å; F249-F251 HydrophobicContact CB-CE2 3.57Å; F249-F251 HydrophobicContact CB-CZ 3.78Å
252	Q	93.2	Very high	94.3	Very high	61 Å²	61	39.8 Å²	39.8	29%	0.285	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137.3	167.3	-153.1	168.4	-15.6	0	0	109.4	Y223 K224 I226	Y223-Q252 CarbonylContact C-O 3.55Å; Y223-Q252 VanDerWaalsContact CA-O 3.28Å; Y223-Q252 WeakPolarHBondContact CA-O 3.45Å; K224-Q252 PolarHBondContact N-O 2.92Å; K224-Q252 PolarHBondContact O-N 3.23Å; I226-Q252 HydrophobicContact CD1-CB 3.52Å; I226-Q252 HydrophobicContact CD1-CG 4.03Å; I226-Q252 HydrophobicContact CG1-CB 3.62Å
253	R	92.5	Very high	94.2	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.011	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141	168.9	-172.6	179	-58.8	-80	-0.5	111	E86 P182 D184 H186 Y223 Y255 Y258	E86-R253 IonicContact OE1-CZ 3.87Å; E86-R253 IonicContact OE1-NH1 3.7Å; E86-R253 PolarHBondContact OE1-NH1 3.03Å; E86-R253 IonicContact OE1-NH2 3.64Å; P182-R253 WeakPolarHBondContact O-CD 3.38Å; D184-R253 PolarHBondContact O-N 2.8Å; D184-R253 WeakPolarHBondContact OD1-CB 3.5Å; D184-R253 WeakPolarHBondContact OD1-CD 3.46Å; D184-R253 IonicContact OD1-CZ 3.35Å; D184-R253 IonicContact OD1-NE 3.07Å; D184-R253 PolarHBondContact OD1-NE 3.4Å; D184-R253 IonicContact OD1-NH2 2.84Å; D184-R253 IonicContact OD2-CZ 2.68Å; D184-R253 IonicContact OD2-NE 2.86Å; D184-R253 PolarHBondContact OD2-NE 2.82Å; D184-R253 IonicContact OD2-NH2 2.88Å; D184-R253 PolarHBondContact OD2-NH2 2.49Å; H186-R253 PolarHBondContact CE1-NH2 2.77Å; Y223-R253 HydrophobicContact CD1-CB 4.38Å; Y223-R253 HydrophobicContact CE1-CB 4.14Å; Y223-R253 HydrophobicContact CE1-CG 4.49Å; Y223-R253 PolarHBondContact OH-NH1 2.85Å; Y223-R253 PolarHBondContact OH-NH2 2.9Å; R253-Y255 PolarHBondContact O-N 2.87Å; R253-Y258 HydrophobicContact CG-CE2 4.22Å
254	Q	92.7	Very high	94	Very high	103 Å²	103	40.1 Å²	40.1	48%	0.481	20%	0.203	S	C	.	.			trans	-79.9	95	167.2	-63.7	-164	22.4	0	0	109.4	D222 G256	D222-Q254 PolarHBondContact O-N 3.27Å; Q254-G256 VanDerWaalsContact C-N 3.33Å; Q254-G256 PolarHBondContact O-N 2.8Å
255	Y	91.4	Very high	93.9	Very high	96 Å²	96	42.2 Å²	42.2	38%	0.376	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-9.9	-172.3	54.6	-94.3	0	0	0	114.9	P182 I183 R253 F257 Y258 I259	P182-Y255 WeakPolarHBondContact O-CB 3.42Å; I183-Y255 HydrophobicContact CG2-CD1 4.44Å; R253-Y255 PolarHBondContact O-N 2.87Å; Y255-F257 VanDerWaalsContact C-N 3.29Å; Y255-F257 PolarHBondContact O-N 3.47Å; Y255-Y258 PolarHBondContact O-N 2.84Å; Y255-I259 HydrophobicContact CD2-CG1 3.88Å; Y255-I259 WeakPolarHBondContact O-CG1 3.49Å; Y255-I259 PolarHBondContact O-N 3.36Å
256	G	91.3	Very high	93.8	Very high	39 Å²	39	42.2 Å²	42.2	40%	0.402	22%	0.217	S	C	.	.	H	α-helix	trans	-56.6	-39.2	-171.8	0	0	0	0	0	114.1	Q254 I259 L260	Q254-G256 VanDerWaalsContact C-N 3.33Å; Q254-G256 PolarHBondContact O-N 2.8Å; G256-I259 PolarHBondContact O-N 2.91Å; G256-L260 PolarHBondContact O-N 2.78Å; G256-L260 VanDerWaalsContact O-N 3.17Å
257	F	91.6	Very high	93.6	Very high	106 Å²	106	44 Å²	44	47%	0.465	22%	0.222	S	C	.	.	H	α-helix	trans	-60	-47.6	174.7	174.7	-94.7	0	0	0	112.3	Y255 I259 L260 Q261	Y255-F257 VanDerWaalsContact C-N 3.29Å; Y255-F257 PolarHBondContact O-N 3.47Å; F257-I259 VanDerWaalsContact C-N 3.33Å; F257-I259 PolarHBondContact O-N 3.44Å; F257-L260 PolarHBondContact O-N 3.39Å; F257-Q261 HydrophobicContact CD2-CG 4.38Å; F257-Q261 HydrophobicContact CE2-CG 4.14Å; F257-Q261 HydrophobicContact CZ-CG 4.23Å; F257-Q261 PolarHBondContact O-N 3.45Å
258	Y	91.5	Very high	93.5	Very high	35 Å²	35	48.5 Å²	48.5	14%	0.137	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-35.2	-179.9	-59.6	-78.9	0	0	0	112.3	F181 P182 R253 Y255 A262 Y263	F181-Y258 HydrophobicContact CE1-CD1 4.25Å; F181-Y258 HydrophobicContact CE1-CE1 4.42Å; F181-Y258 HydrophobicContact CE2-CE1 4.23Å; F181-Y258 HydrophobicContact CE2-CE2 4.44Å; F181-Y258 AromaticContact CZ-CD1 3.67Å; F181-Y258 HydrophobicContact CZ-CD1 3.67Å; F181-Y258 HydrophobicContact CZ-CD2 4.47Å; F181-Y258 AromaticContact CZ-CE1 3.48Å; F181-Y258 HydrophobicContact CZ-CE1 3.48Å; F181-Y258 VanDerWaalsContact CZ-CE1 3.48Å; F181-Y258 HydrophobicContact CZ-CE2 4.3Å; F181-Y258 HydrophobicContact CZ-CG 4.16Å; F181-Y258 AromaticContact CZ-CZ 3.78Å; P182-Y258 HydrophobicContact CB-CD2 3.83Å; P182-Y258 HydrophobicContact CB-CG 3.88Å; P182-Y258 HydrophobicContact CG-CG 4.45Å; R253-Y258 HydrophobicContact CG-CE2 4.22Å; Y255-Y258 PolarHBondContact O-N 2.84Å; Y258-A262 WeakPolarHBondContact O-CA 3.26Å; Y258-A262 WeakPolarHBondContact O-CB 3.26Å; Y258-A262 PolarHBondContact O-N 2.96Å; Y258-Y263 PolarHBondContact O-N 3.22Å
259	I	92.3	Very high	93.4	Very high	41 Å²	41	48.8 Å²	48.8	21%	0.21	25%	0.248	C	C	.	.	I	π-helix	trans	-61.8	-47.5	173.9	-60.8	-57.2	0	0	0	110.7	Y255 G256 F257 Y263 V264 W390	Y255-I259 HydrophobicContact CD2-CG1 3.88Å; Y255-I259 WeakPolarHBondContact O-CG1 3.49Å; Y255-I259 PolarHBondContact O-N 3.36Å; G256-I259 PolarHBondContact O-N 2.91Å; F257-I259 VanDerWaalsContact C-N 3.33Å; F257-I259 PolarHBondContact O-N 3.44Å; I259-Y263 HydrophobicContact CD1-CD2 3.68Å; I259-Y263 HydrophobicContact CD1-CE2 3.9Å; I259-Y263 HydrophobicContact CD1-CG 4.07Å; I259-Y263 WeakPolarHBondContact O-CB 3.47Å; I259-Y263 PolarHBondContact O-N 3.03Å; I259-V264 WeakPolarHBondContact O-CG2 3.37Å; I259-V264 PolarHBondContact O-N 3.34Å; I259-W390 HydrophobicContact CD1-CH2 3.72Å; I259-W390 HydrophobicContact CD1-CZ3 4.36Å
260	L	92.3	Very high	93.2	Very high	122 Å²	122	48.8 Å²	48.8	64%	0.639	25%	0.248	S	C	*	.	I	π-helix	trans	-72	-34	-176.9	-70.2	172.8	0	0	0	113.7	G256 F257 V264 P265	G256-L260 PolarHBondContact O-N 2.78Å; G256-L260 VanDerWaalsContact O-N 3.17Å; F257-L260 PolarHBondContact O-N 3.39Å; L260-V264 HydrophobicContact CD2-CG2 4.42Å; L260-P265 VanDerWaalsContact O-CD 3.31Å; L260-P265 WeakPolarHBondContact O-CD 3.44Å
261	Q	90.6	Very high	93.1	Very high	115 Å²	115	52 Å²	52	54%	0.537	26%	0.264	S	S	.	.	I	π-helix	trans	-96.5	-27.9	-176	-65.1	-159.3	-3	0	0	114.6	F257 P265 Q301	F257-Q261 HydrophobicContact CD2-CG 4.38Å; F257-Q261 HydrophobicContact CE2-CG 4.14Å; F257-Q261 HydrophobicContact CZ-CG 4.23Å; F257-Q261 PolarHBondContact O-N 3.45Å; Q261-P265 WeakPolarHBondContact O-CG 3.43Å; Q261-Q301 PolarHBondContact O-NE2 3.25Å
262	A	91.8	Very high	93	Very high	3 Å²	3	55.7 Å²	55.7	3%	0.025	28%	0.283	C	S	.	.	I	π-helix	trans	-103.1	-56.9	179.5	0	0	0	0	0	111.7	Y258 A266 Q301 V305 I318	Y258-A262 WeakPolarHBondContact O-CA 3.26Å; Y258-A262 WeakPolarHBondContact O-CB 3.26Å; Y258-A262 PolarHBondContact O-N 2.96Å; A262-A266 VanDerWaalsContact O-CB 3.28Å; A262-A266 WeakPolarHBondContact O-CB 3.36Å; A262-A266 PolarHBondContact O-N 3.01Å; A262-Q301 VanDerWaalsContact CA-NE2 3.32Å; A262-Q301 PolarHBondContact O-NE2 2.91Å; A262-V305 HydrophobicContact CB-CG2 3.99Å; A262-I318 HydrophobicContact CB-CD1 3.8Å
263	Y	93.5	Very high	92.9	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.012	27%	0.269	C	S	.	.	I	π-helix	trans	-71.2	-51.9	-172.4	-75	-101.5	0	0	0	112.8	P182 Y258 I259 A266 Y267 I318 W321 Y389 W390	P182-Y263 HydrophobicContact CG-CE2 4.2Å; Y258-Y263 PolarHBondContact O-N 3.22Å; I259-Y263 HydrophobicContact CD1-CD2 3.68Å; I259-Y263 HydrophobicContact CD1-CE2 3.9Å; I259-Y263 HydrophobicContact CD1-CG 4.07Å; I259-Y263 WeakPolarHBondContact O-CB 3.47Å; I259-Y263 PolarHBondContact O-N 3.03Å; Y263-A266 PolarHBondContact O-N 3.44Å; Y263-Y267 WeakPolarHBondContact O-CD2 3.47Å; Y263-Y267 PolarHBondContact O-N 2.68Å; Y263-I318 HydrophobicContact CE2-CD1 4.3Å; Y263-W321 AromaticContact CD1-CD1 3.9Å; Y263-W321 AromaticContact CD1-CD2 3.85Å; Y263-W321 HydrophobicContact CD1-CD2 3.85Å; Y263-W321 AromaticContact CD1-CE2 3.69Å; Y263-W321 HydrophobicContact CD1-CE3 4.47Å; Y263-W321 HydrophobicContact CD1-CG 4.03Å; Y263-W321 HydrophobicContact CD1-CZ2 4.26Å; Y263-W321 AromaticContact CD1-NE1 3.68Å; Y263-W321 HydrophobicContact CE1-CB 4.31Å; Y263-W321 AromaticContact CE1-CD2 3.82Å; Y263-W321 HydrophobicContact CE1-CD2 3.82Å; Y263-W321 HydrophobicContact CE1-CE3 4.29Å; Y263-W321 AromaticContact CE1-CG 3.78Å; Y263-W321 HydrophobicContact CE1-CG 3.78Å; Y263-Y389 AromaticContact CE1-CE1 3.65Å; Y263-Y389 HydrophobicContact CE1-CE1 3.65Å; Y263-Y389 PolarHBondContact OH-OH 3.39Å; Y263-W390 AromaticContact CD1-CH2 3.68Å; Y263-W390 HydrophobicContact CD1-CH2 3.68Å; Y263-W390 AromaticContact CD1-CZ2 3.5Å; Y263-W390 HydrophobicContact CD1-CZ2 3.5Å; Y263-W390 VanDerWaalsContact CD1-CZ2 3.5Å; Y263-W390 AromaticContact CE1-CH2 3.46Å; Y263-W390 HydrophobicContact CE1-CH2 3.46Å; Y263-W390 VanDerWaalsContact CE1-CH2 3.46Å; Y263-W390 AromaticContact CE1-CZ2 3.57Å; Y263-W390 HydrophobicContact CE1-CZ2 3.57Å; Y263-W390 HydrophobicContact CE1-CZ3 4.39Å; Y263-W390 HydrophobicContact CG-CH2 4.3Å; Y263-W390 HydrophobicContact CG-CZ2 4.35Å; Y263-W390 AromaticContact CZ-CH2 3.96Å
264	V	94.1	Very high	92.8	Very high	60 Å²	60	54 Å²	54	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-58.6	-47.9	-176.7	171.6	0	0	0	0	112.2	I259 L260 A266 Y267 L268	I259-V264 WeakPolarHBondContact O-CG2 3.37Å; I259-V264 PolarHBondContact O-N 3.34Å; L260-V264 HydrophobicContact CD2-CG2 4.42Å; V264-A266 VanDerWaalsContact C-N 3.34Å; V264-A266 PolarHBondContact O-N 2.97Å; V264-Y267 WeakPolarHBondContact O-CB 3.23Å; V264-Y267 PolarHBondContact O-N 3.11Å; V264-L268 HydrophobicContact CG1-CD1 4.28Å; V264-L268 WeakPolarHBondContact O-CG 3.14Å; V264-L268 PolarHBondContact O-N 2.92Å
265	P	94.8	Very high	92.7	Very high	46 Å²	46	53.3 Å²	53.3	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-67.1	-35.4	178.2	-21.7	35.8	0	0	0	112.4	L260 Q261 Y267 L268 V269	L260-P265 VanDerWaalsContact O-CD 3.31Å; L260-P265 WeakPolarHBondContact O-CD 3.44Å; Q261-P265 WeakPolarHBondContact O-CG 3.43Å; P265-Y267 VanDerWaalsContact C-N 3.34Å; P265-Y267 PolarHBondContact O-N 2.91Å; P265-L268 PolarHBondContact O-N 3.29Å; P265-V269 VanDerWaalsContact O-CG2 3.27Å; P265-V269 WeakPolarHBondContact O-CG2 3.44Å; P265-V269 PolarHBondContact O-N 2.91Å
266	A	94.7	Very high	92.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.5	-42.8	174.8	0	0	0	0	0	111.4	A262 Y263 V264 V269 V270 L298	A262-A266 VanDerWaalsContact O-CB 3.28Å; A262-A266 WeakPolarHBondContact O-CB 3.36Å; A262-A266 PolarHBondContact O-N 3.01Å; Y263-A266 PolarHBondContact O-N 3.44Å; V264-A266 VanDerWaalsContact C-N 3.34Å; V264-A266 PolarHBondContact O-N 2.97Å; A266-V269 PolarHBondContact O-N 2.94Å; A266-V270 WeakPolarHBondContact O-CG2 3.5Å; A266-V270 PolarHBondContact O-N 3.46Å; A266-L298 HydrophobicContact CB-CD1 3.79Å
267	Y	94.4	Very high	92.5	Very high	59 Å²	59	47.2 Å²	47.2	23%	0.231	24%	0.237	C	C	.	.	H	α-helix	trans	-57.3	-49.7	171.9	-84.4	-71.6	0	0	0	112.1	Y263 V264 P265 V269 V270 L271 W321 F382 N386 W390	Y263-Y267 WeakPolarHBondContact O-CD2 3.47Å; Y263-Y267 PolarHBondContact O-N 2.68Å; V264-Y267 WeakPolarHBondContact O-CB 3.23Å; V264-Y267 PolarHBondContact O-N 3.11Å; P265-Y267 VanDerWaalsContact C-N 3.34Å; P265-Y267 PolarHBondContact O-N 2.91Å; Y267-V269 VanDerWaalsContact C-N 3.29Å; Y267-V269 PolarHBondContact O-N 3.49Å; Y267-V270 PolarHBondContact O-N 3.19Å; Y267-L271 VanDerWaalsContact O-CG 3.31Å; Y267-L271 WeakPolarHBondContact O-CG 3.35Å; Y267-L271 PolarHBondContact O-N 3.14Å; Y267-W321 HydrophobicContact CD1-CH2 4.09Å; Y267-W321 HydrophobicContact CD1-CZ2 4.12Å; Y267-W321 HydrophobicContact CD2-CH2 4.36Å; Y267-W321 AromaticContact CD2-CZ2 3.87Å; Y267-W321 HydrophobicContact CD2-CZ2 3.87Å; Y267-W321 AromaticContact CE1-CH2 3.41Å; Y267-W321 HydrophobicContact CE1-CH2 3.41Å; Y267-W321 VanDerWaalsContact CE1-CH2 3.41Å; Y267-W321 AromaticContact CE1-CZ2 3.85Å; Y267-W321 HydrophobicContact CE1-CZ2 3.85Å; Y267-W321 AromaticContact CE2-CH2 3.72Å; Y267-W321 HydrophobicContact CE2-CH2 3.72Å; Y267-W321 AromaticContact CE2-CZ2 3.57Å; Y267-W321 HydrophobicContact CE2-CZ2 3.57Å; Y267-W321 HydrophobicContact CG-CZ2 4.13Å; Y267-W321 AromaticContact CZ-CH2 3.19Å; Y267-W321 AromaticContact CZ-CZ2 3.56Å; Y267-W321 VanDerWaalsContact OH-CH2 3.3Å; Y267-W321 WeakPolarHBondContact OH-CH2 3.31Å; Y267-F382 AromaticContact CD1-CE1 3.72Å; Y267-F382 HydrophobicContact CD1-CE1 3.72Å; Y267-F382 AromaticContact CD1-CZ 3.81Å; Y267-F382 HydrophobicContact CD1-CZ 3.81Å; Y267-F382 AromaticContact CE1-CE1 3.72Å; Y267-F382 HydrophobicContact CE1-CE1 3.72Å; Y267-F382 AromaticContact CE1-CZ 3.83Å; Y267-F382 HydrophobicContact CE1-CZ 3.83Å; Y267-N386 WeakPolarHBondContact CE1-OD1 3.33Å; Y267-N386 PolarHBondContact OH-OD1 3.43Å; Y267-W390 PolarHBondContact OH-NE1 2.93Å
268	L	94.6	Very high	92.3	Very high	96 Å²	96	49.2 Å²	49.2	50%	0.503	25%	0.246	S	C	.	.	H	α-helix	trans	-60.6	-40.3	-179.2	-66.4	175	0	0	0	111.5	V264 P265 L271 I272	V264-L268 HydrophobicContact CG1-CD1 4.28Å; V264-L268 WeakPolarHBondContact O-CG 3.14Å; V264-L268 PolarHBondContact O-N 2.92Å; P265-L268 PolarHBondContact O-N 3.29Å; L268-L271 PolarHBondContact O-N 2.97Å; L268-I272 WeakPolarHBondContact O-CB 3.49Å; L268-I272 WeakPolarHBondContact O-CD1 3.44Å; L268-I272 VanDerWaalsContact O-CG1 3.22Å; L268-I272 WeakPolarHBondContact O-CG1 3.24Å; L268-I272 PolarHBondContact O-N 3.25Å
269	V	95.5	Very high	92.1	Very high	23 Å²	23	49.7 Å²	49.7	14%	0.139	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-41.7	177.2	170.8	0	0	0	0	111.9	P265 A266 Y267 I272 S273 S294 A297 L298 I329	P265-V269 VanDerWaalsContact O-CG2 3.27Å; P265-V269 WeakPolarHBondContact O-CG2 3.44Å; P265-V269 PolarHBondContact O-N 2.91Å; A266-V269 PolarHBondContact O-N 2.94Å; Y267-V269 VanDerWaalsContact C-N 3.29Å; Y267-V269 PolarHBondContact O-N 3.49Å; V269-I272 PolarHBondContact O-N 3.23Å; V269-S273 PolarHBondContact O-N 3.44Å; V269-S294 VanDerWaalsContact CG1-O 3.27Å; V269-S294 WeakPolarHBondContact CG1-O 3.36Å; V269-S294 PolarHBondContact O-OG 2.97Å; V269-A297 HydrophobicContact CG2-CB 4.37Å; V269-L298 HydrophobicContact CG1-CB 4.49Å; V269-I329 HydrophobicContact CG1-CD1 3.94Å
270	V	94.5	Very high	91.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-44.9	174.4	172.5	0	0	0	0	110.6	A266 Y267 I272 S273 W274 C325 I329 F382	A266-V270 WeakPolarHBondContact O-CG2 3.5Å; A266-V270 PolarHBondContact O-N 3.46Å; Y267-V270 PolarHBondContact O-N 3.19Å; V270-I272 PolarHBondContact O-N 2.9Å; V270-S273 WeakPolarHBondContact O-CB 3.45Å; V270-S273 PolarHBondContact O-N 2.91Å; V270-S273 VanDerWaalsContact O-N 3.14Å; V270-S273 PolarHBondContact O-OG 3.03Å; V270-W274 HydrophobicContact CG1-CZ2 3.79Å; V270-W274 PolarHBondContact O-N 3.21Å; V270-C325 HydrophobicContact CG2-CB 3.86Å; V270-I329 HydrophobicContact CG2-CD1 4.3Å; V270-I329 HydrophobicContact CG2-CG1 4.48Å; V270-F382 HydrophobicContact CB-CZ 4.37Å; V270-F382 HydrophobicContact CG1-CD1 4.47Å; V270-F382 HydrophobicContact CG1-CD2 4.22Å; V270-F382 HydrophobicContact CG1-CE1 4.22Å; V270-F382 HydrophobicContact CG1-CE2 3.99Å; V270-F382 HydrophobicContact CG1-CG 4.45Å; V270-F382 HydrophobicContact CG1-CZ 3.98Å; V270-F382 HydrophobicContact CG2-CE2 4.4Å; V270-F382 HydrophobicContact CG2-CZ 4.45Å
271	L	92.4	Very high	91.3	Very high	82 Å²	82	46.3 Å²	46.3	43%	0.429	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-41.6	177.3	-68.3	174.6	0	0	0	112.5	Y267 L268 S273 W274	Y267-L271 VanDerWaalsContact O-CG 3.31Å; Y267-L271 WeakPolarHBondContact O-CG 3.35Å; Y267-L271 PolarHBondContact O-N 3.14Å; L268-L271 PolarHBondContact O-N 2.97Å; L271-S273 VanDerWaalsContact C-N 3.26Å; L271-S273 PolarHBondContact O-N 2.99Å; L271-W274 HydrophobicContact CD2-CE3 3.69Å; L271-W274 HydrophobicContact CD2-CH2 4.2Å; L271-W274 HydrophobicContact CD2-CZ3 3.45Å; L271-W274 VanDerWaalsContact CD2-CZ3 3.45Å; L271-W274 PolarHBondContact O-N 3.4Å; L271-W274 VanDerWaalsContact O-N 3.13Å
272	I	92.6	Very high	90.9	Very high	76 Å²	76	46.2 Å²	46.2	39%	0.39	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-38.4	174.5	-71.1	163.3	0	0	0	110.5	L268 V269 V270 W274 I275 L290	L268-I272 WeakPolarHBondContact O-CB 3.49Å; L268-I272 WeakPolarHBondContact O-CD1 3.44Å; L268-I272 VanDerWaalsContact O-CG1 3.22Å; L268-I272 WeakPolarHBondContact O-CG1 3.24Å; L268-I272 PolarHBondContact O-N 3.25Å; V269-I272 PolarHBondContact O-N 3.23Å; V270-I272 PolarHBondContact O-N 2.9Å; I272-W274 PolarHBondContact O-N 2.92Å; I272-I275 VanDerWaalsContact O-CB 3.31Å; I272-I275 WeakPolarHBondContact O-CB 3.33Å; I272-I275 PolarHBondContact O-N 2.74Å; I272-I275 VanDerWaalsContact O-N 3.09Å; I272-L290 HydrophobicContact CG2-CD2 4.16Å
273	S	92.1	Very high	90.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-29.7	177.8	83.5	0	0	0	0	112.5	V269 V270 L271 I275 S276	V269-S273 PolarHBondContact O-N 3.44Å; V270-S273 WeakPolarHBondContact O-CB 3.45Å; V270-S273 PolarHBondContact O-N 2.91Å; V270-S273 VanDerWaalsContact O-N 3.14Å; V270-S273 PolarHBondContact O-OG 3.03Å; L271-S273 VanDerWaalsContact C-N 3.26Å; L271-S273 PolarHBondContact O-N 2.99Å; S273-I275 VanDerWaalsContact C-N 3.34Å; S273-I275 PolarHBondContact O-N 3.34Å; S273-S276 WeakPolarHBondContact O-CB 3.19Å; S273-S276 PolarHBondContact O-N 3.06Å; S273-S276 PolarHBondContact O-OG 2.99Å
274	W	90.7	Very high	90.4	Very high	29 Å²	29	52.7 Å²	52.7	11%	0.11	27%	0.269	C	S	.	.	H	α-helix	trans	-76.7	-19.1	178.4	-60.2	-14.6	0	0	0	113.8	V270 L271 I272 S276 F277 P379 F382	V270-W274 HydrophobicContact CG1-CZ2 3.79Å; V270-W274 PolarHBondContact O-N 3.21Å; L271-W274 HydrophobicContact CD2-CE3 3.69Å; L271-W274 HydrophobicContact CD2-CH2 4.2Å; L271-W274 HydrophobicContact CD2-CZ3 3.45Å; L271-W274 VanDerWaalsContact CD2-CZ3 3.45Å; L271-W274 PolarHBondContact O-N 3.4Å; L271-W274 VanDerWaalsContact O-N 3.13Å; I272-W274 PolarHBondContact O-N 2.92Å; W274-S276 PolarHBondContact O-N 3.32Å; W274-S276 VanDerWaalsContact O-N 3.15Å; W274-F277 HydrophobicContact CB-CD2 3.99Å; W274-F277 HydrophobicContact CB-CE2 4.11Å; W274-F277 AromaticContact CD1-CE2 3.6Å; W274-F277 HydrophobicContact CG-CD2 4.37Å; W274-F277 HydrophobicContact CG-CE2 4.03Å; W274-F277 WeakPolarHBondContact O-CB 3.44Å; W274-F277 WeakPolarHBondContact O-CD2 3.43Å; W274-F277 PolarHBondContact O-N 3.2Å; W274-P379 HydrophobicContact CD2-CG 4.04Å; W274-P379 HydrophobicContact CE3-CB 4.14Å; W274-P379 HydrophobicContact CE3-CG 3.67Å; W274-P379 VanDerWaalsContact CH2-CA 3.42Å; W274-P379 HydrophobicContact CH2-CB 3.72Å; W274-P379 HydrophobicContact CH2-CG 4.02Å; W274-P379 HydrophobicContact CZ2-CB 4.37Å; W274-P379 HydrophobicContact CZ2-CG 4.35Å; W274-P379 HydrophobicContact CZ3-CB 3.57Å; W274-P379 HydrophobicContact CZ3-CG 3.64Å; W274-F382 HydrophobicContact CH2-CB 3.89Å; W274-F382 AromaticContact CH2-CD1 3.61Å; W274-F382 HydrophobicContact CH2-CD1 3.61Å; W274-F382 HydrophobicContact CH2-CE1 4.45Å; W274-F382 AromaticContact CH2-CG 4Å; W274-F382 HydrophobicContact CH2-CG 4Å; W274-F382 HydrophobicContact CZ2-CB 3.63Å; W274-F382 AromaticContact CZ2-CD1 3.85Å; W274-F382 HydrophobicContact CZ2-CD1 3.85Å; W274-F382 AromaticContact CZ2-CG 3.8Å; W274-F382 HydrophobicContact CZ2-CG 3.8Å
275	I	90	Very high	90.2	Very high	88 Å²	88	56.3 Å²	56.3	45%	0.451	28%	0.282	S	S	.	.	H	α-helix	trans	-58.2	-28.2	172.3	-59	175.8	0	0	0	110.2	I272 S273 F277 F278 L279 L290	I272-I275 VanDerWaalsContact O-CB 3.31Å; I272-I275 WeakPolarHBondContact O-CB 3.33Å; I272-I275 PolarHBondContact O-N 2.74Å; I272-I275 VanDerWaalsContact O-N 3.09Å; S273-I275 VanDerWaalsContact C-N 3.34Å; S273-I275 PolarHBondContact O-N 3.34Å; I275-F277 PolarHBondContact O-N 2.91Å; I275-F278 PolarHBondContact O-N 2.88Å; I275-F278 VanDerWaalsContact O-N 3.07Å; I275-L279 PolarHBondContact O-N 3.3Å; I275-L290 HydrophobicContact CG2-CD1 4.43Å
276	S	88.8	Confident	90.1	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-59.3	-25.9	175.5	72	0	0	0	0	114.1	S273 W274 R287	S273-S276 WeakPolarHBondContact O-CB 3.19Å; S273-S276 PolarHBondContact O-N 3.06Å; S273-S276 PolarHBondContact O-OG 2.99Å; W274-S276 PolarHBondContact O-N 3.32Å; W274-S276 VanDerWaalsContact O-N 3.15Å; S276-R287 WeakPolarHBondContact O-CG 3.49Å; S276-R287 PolarHBondContact O-NE 3.42Å
277	F	89	Confident	90	Very high	5 Å²	5	57 Å²	57	2%	0.022	29%	0.286	C	S	.	.	H	α-helix	trans	-78.2	-23.2	177.9	-52	-45	0	0	0	112.9	W274 I275 I375 F378	W274-F277 HydrophobicContact CB-CD2 3.99Å; W274-F277 HydrophobicContact CB-CE2 4.11Å; W274-F277 AromaticContact CD1-CE2 3.6Å; W274-F277 HydrophobicContact CG-CD2 4.37Å; W274-F277 HydrophobicContact CG-CE2 4.03Å; W274-F277 WeakPolarHBondContact O-CB 3.44Å; W274-F277 WeakPolarHBondContact O-CD2 3.43Å; W274-F277 PolarHBondContact O-N 3.2Å; I275-F277 PolarHBondContact O-N 2.91Å; F277-I375 HydrophobicContact CB-CD1 4.46Å; F277-I375 HydrophobicContact CB-CG1 3.68Å; F277-F378 HydrophobicContact CE2-CB 4Å; F277-F378 HydrophobicContact CE2-CD1 4.49Å; F277-F378 HydrophobicContact CE2-CD2 4.08Å; F277-F378 AromaticContact CE2-CG 3.96Å; F277-F378 HydrophobicContact CE2-CG 3.96Å; F277-F378 HydrophobicContact CZ-CB 4.46Å; F277-F378 HydrophobicContact CZ-CD1 4.19Å; F277-F378 AromaticContact CZ-CD2 3.82Å; F277-F378 HydrophobicContact CZ-CD2 3.82Å; F277-F378 HydrophobicContact CZ-CE1 4.36Å; F277-F378 HydrophobicContact CZ-CE2 4Å; F277-F378 AromaticContact CZ-CG 3.92Å; F277-F378 HydrophobicContact CZ-CG 3.92Å; F277-F378 HydrophobicContact CZ-CZ 4.27Å
278	F	87.9	Confident	89.9	Confident	148 Å²	148	56.9 Å²	56.9	65%	0.649	29%	0.292	S	S	*	.	H	α-helix	trans	-86.3	-12.1	178	-68.3	-84.7	0	0	0	112.8	I275 I375	I275-F278 PolarHBondContact O-N 2.88Å; I275-F278 VanDerWaalsContact O-N 3.07Å; F278-I375 HydrophobicContact CD1-CD1 4.29Å; F278-I375 HydrophobicContact CE1-CD1 4.21Å; F278-I375 HydrophobicContact CE1-CG1 4.47Å; F278-I375 HydrophobicContact CE1-CG2 4.11Å; F278-I375 HydrophobicContact CZ-CG1 4.37Å; F278-I375 HydrophobicContact CZ-CG2 3.78Å
279	L	88.2	Confident	89.9	Confident	45 Å²	45	57.8 Å²	57.8	24%	0.236	30%	0.295	C	S	.	.	S	Bend	trans	-78.5	143	175.4	-69.1	174.5	0	0	0	110.7	I275 M283 P286 R287 L290	I275-L279 PolarHBondContact O-N 3.3Å; L279-M283 HydrophobicContact CB-CE 4.15Å; L279-M283 HydrophobicContact CD2-CE 3.84Å; L279-P286 HydrophobicContact CD1-CB 4.16Å; L279-R287 HydrophobicContact CB-CG 3.78Å; L279-R287 HydrophobicContact CD1-CG 3.98Å; L279-L290 HydrophobicContact CD1-CD1 3.78Å
280	D	85.2	Confident	89.8	Confident	75 Å²	75	59.1 Å²	59.1	40%	0.401	30%	0.301	S	S	.	.			trans	-57.3	146.5	179.8	-159.8	-2.7	0	0	0	112.1	D282 M283	D280-D282 PolarHBondContact O-N 3.34Å; D280-D282 VanDerWaalsContact O-N 3.17Å; D280-M283 HydrophobicContact CB-CE 3.92Å; D280-M283 PolarHBondContact O-N 3.09Å
281	V	82.1	Confident	89.7	Confident	17 Å²	17	59.1 Å²	59.1	10%	0.103	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24	-177.3	-67.6	0	0	0	0	113	M283 V339 A367 R368 D371	V281-M283 VanDerWaalsContact C-N 3.31Å; V281-V339 HydrophobicContact CG1-CG1 4.2Å; V281-A367 HydrophobicContact CB-CB 4.49Å; V281-A367 HydrophobicContact CG1-CB 3.99Å; V281-R368 HydrophobicContact CG1-CG 4.13Å; V281-R368 HydrophobicContact CG2-CG 4.47Å; V281-D371 WeakPolarHBondContact CG1-OD2 3.41Å
282	D	82.6	Confident	89.9	Confident	112 Å²	112	58.1 Å²	58.1	60%	0.599	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-17.9	179.5	-64.1	-30.2	0	0	0	112.2	D280 I284	D280-D282 PolarHBondContact O-N 3.34Å; D280-D282 VanDerWaalsContact O-N 3.17Å; D282-I284 PolarHBondContact O-N 3.43Å
283	M	86.3	Confident	90	Very high	79 Å²	79	59.5 Å²	59.5	39%	0.389	30%	0.303	S	S	.	.			trans	-93.4	63.9	-179.4	-62.1	-167.7	-68.5	0	0	112.2	L279 D280 V281 Q285 P286 R287	L279-M283 HydrophobicContact CB-CE 4.15Å; L279-M283 HydrophobicContact CD2-CE 3.84Å; D280-M283 HydrophobicContact CB-CE 3.92Å; D280-M283 PolarHBondContact O-N 3.09Å; V281-M283 VanDerWaalsContact C-N 3.31Å; M283-Q285 PolarHBondContact O-N 2.79Å; M283-P286 HydrophobicContact CB-CG 4.23Å; M283-P286 WeakPolarHBondContact O-CD 3.45Å; M283-R287 WeakPolarHBondContact O-CG 3.49Å; M283-R287 PolarHBondContact O-N 3.49Å
284	I	87.5	Confident	90.2	Very high	63 Å²	63	59.9 Å²	59.9	32%	0.323	31%	0.306	S	S	.	.	H	α-helix	trans	-65.5	-35	-176.5	-171.5	58	0	0	0	113.6	D282 T288 L336	D282-I284 PolarHBondContact O-N 3.43Å; I284-T288 WeakPolarHBondContact O-CB 3.46Å; I284-T288 PolarHBondContact O-N 3.31Å; I284-T288 PolarHBondContact O-OG1 3.41Å; I284-L336 HydrophobicContact CD1-CD1 3.67Å; I284-L336 HydrophobicContact CD1-CD2 4.42Å; I284-L336 HydrophobicContact CD1-CG 3.93Å
285	Q	91.4	Very high	90.4	Very high	136 Å²	136	60.7 Å²	60.7	64%	0.636	31%	0.312	S	S	*	.	H	α-helix	trans	-68.3	-50.9	-176.2	-56.5	83.2	-19.8	0	0	111.8	M283 R287 T288 M289	M283-Q285 PolarHBondContact O-N 2.79Å; Q285-R287 VanDerWaalsContact C-N 3.33Å; Q285-R287 PolarHBondContact O-N 3.44Å; Q285-T288 PolarHBondContact O-N 3.01Å; Q285-M289 WeakPolarHBondContact O-CB 3.43Å; Q285-M289 PolarHBondContact O-N 3.28Å
286	P	92.9	Very high	90.7	Very high	58 Å²	58	60.5 Å²	60.5	38%	0.377	31%	0.312	S	S	.	.	H	α-helix	trans	-58.3	-41.2	174	-26.8	36.3	0	0	0	113.6	L279 M283 T288 M289 L290	L279-P286 HydrophobicContact CD1-CB 4.16Å; M283-P286 HydrophobicContact CB-CG 4.23Å; M283-P286 WeakPolarHBondContact O-CD 3.45Å; P286-T288 PolarHBondContact O-N 2.94Å; P286-M289 PolarHBondContact O-N 2.99Å; P286-L290 WeakPolarHBondContact O-CG 3.38Å; P286-L290 PolarHBondContact O-N 3.49Å; P286-L290 VanDerWaalsContact O-N 3.09Å
287	R	91.4	Very high	91	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-61.6	-45.4	178.4	-69.8	179	65.9	165.2	-5	111.7	S276 L279 M283 Q285 G291 E335 L336 D371	S276-R287 WeakPolarHBondContact O-CG 3.49Å; S276-R287 PolarHBondContact O-NE 3.42Å; L279-R287 HydrophobicContact CB-CG 3.78Å; L279-R287 HydrophobicContact CD1-CG 3.98Å; M283-R287 WeakPolarHBondContact O-CG 3.49Å; M283-R287 PolarHBondContact O-N 3.49Å; Q285-R287 VanDerWaalsContact C-N 3.33Å; Q285-R287 PolarHBondContact O-N 3.44Å; R287-G291 PolarHBondContact O-N 3.42Å; R287-E335 IonicContact NH2-OE2 3.42Å; R287-L336 HydrophobicContact CB-CD1 3.51Å; R287-L336 HydrophobicContact CB-CD2 3.93Å; R287-L336 HydrophobicContact CB-CG 4.38Å; R287-L336 HydrophobicContact CG-CD1 4.25Å; R287-D371 IonicContact CZ-OD1 3.86Å; R287-D371 IonicContact CZ-OD2 3.79Å; R287-D371 IonicContact NH1-OD1 3.23Å; R287-D371 PolarHBondContact NH1-OD1 3.24Å; R287-D371 IonicContact NH1-OD2 3.68Å; R287-D371 PolarHBondContact NH1-OD2 3.33Å; R287-D371 IonicContact NH2-OD1 3.92Å; R287-D371 PolarHBondContact NH2-OD1 2.9Å; R287-D371 IonicContact NH2-OD2 2.77Å
288	T	92.1	Very high	91.3	Very high	58 Å²	58	62.2 Å²	62.2	36%	0.356	33%	0.327	S	S	.	.	H	α-helix	trans	-65.7	-42.6	179.1	-52.7	0	0	0	0	111.1	I284 Q285 P286 L290 G291 V292 L336	I284-T288 WeakPolarHBondContact O-CB 3.46Å; I284-T288 PolarHBondContact O-N 3.31Å; I284-T288 PolarHBondContact O-OG1 3.41Å; Q285-T288 PolarHBondContact O-N 3.01Å; P286-T288 PolarHBondContact O-N 2.94Å; T288-L290 PolarHBondContact O-N 3.16Å; T288-G291 PolarHBondContact O-N 2.87Å; T288-V292 HydrophobicContact CG2-CG2 4.11Å; T288-V292 WeakPolarHBondContact O-CB 3.46Å; T288-V292 WeakPolarHBondContact O-CG2 3.14Å; T288-V292 PolarHBondContact O-N 3.31Å; T288-L336 VanDerWaalsContact CA-CD2 3.48Å
289	M	94.3	Very high	91.5	Very high	114 Å²	114	58.5 Å²	58.5	56%	0.562	32%	0.316	S	S	*	.	H	α-helix	trans	-59.9	-45.4	179.4	-174.1	178.9	179.7	0	0	111.9	Q285 P286 H293	Q285-M289 WeakPolarHBondContact O-CB 3.43Å; Q285-M289 PolarHBondContact O-N 3.28Å; P286-M289 PolarHBondContact O-N 2.99Å; M289-H293 WeakPolarHBondContact CE-CE1 3.22Å; M289-H293 WeakPolarHBondContact O-CB 3.48Å; M289-H293 PolarHBondContact O-N 3.21Å
290	L	93.7	Very high	91.8	Very high	51 Å²	51	63.8 Å²	63.8	27%	0.267	34%	0.338	S	S	.	.	H	α-helix	trans	-60.4	-49.6	177.2	-72.8	173.6	0	0	0	112	I272 I275 L279 P286 T288 S294	I272-L290 HydrophobicContact CG2-CD2 4.16Å; I275-L290 HydrophobicContact CG2-CD1 4.43Å; L279-L290 HydrophobicContact CD1-CD1 3.78Å; P286-L290 WeakPolarHBondContact O-CG 3.38Å; P286-L290 PolarHBondContact O-N 3.49Å; P286-L290 VanDerWaalsContact O-N 3.09Å; T288-L290 PolarHBondContact O-N 3.16Å; L290-S294 WeakPolarHBondContact O-CB 3.43Å; L290-S294 PolarHBondContact O-N 3.37Å; L290-S294 PolarHBondContact O-OG 3.25Å; L290-S294 VanDerWaalsContact O-OG 3.08Å
291	G	93.2	Very high	92.1	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-44.4	-178.9	0	0	0	0	0	113.2	R287 T288 S294 L295 I329	R287-G291 PolarHBondContact O-N 3.42Å; T288-G291 PolarHBondContact O-N 2.87Å; G291-S294 PolarHBondContact O-N 2.94Å; G291-L295 PolarHBondContact O-N 3.17Å; G291-I329 WeakPolarHBondContact O-CG2 3.07Å
292	V	95.6	Very high	92.5	Very high	60 Å²	60	63.5 Å²	63.5	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-66.6	-43.9	179.1	172.9	0	0	0	0	111.1	T288 L295 L296 L333	T288-V292 HydrophobicContact CG2-CG2 4.11Å; T288-V292 WeakPolarHBondContact O-CB 3.46Å; T288-V292 WeakPolarHBondContact O-CG2 3.14Å; T288-V292 PolarHBondContact O-N 3.31Å; V292-L295 PolarHBondContact O-N 2.89Å; V292-L296 HydrophobicContact CG1-CD1 4.04Å; V292-L296 HydrophobicContact CG1-CG 4.48Å; V292-L296 WeakPolarHBondContact O-CG 3.22Å; V292-L296 PolarHBondContact O-N 3.46Å; V292-L333 HydrophobicContact CG2-CD2 4.27Å
293	H	95.6	Very high	92.9	Very high	106 Å²	106	59.8 Å²	59.8	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-64.7	-40.9	177.4	-75.3	-166.3	0	0	0	112	M289 L295 L296 A297	M289-H293 WeakPolarHBondContact CE-CE1 3.22Å; M289-H293 WeakPolarHBondContact O-CB 3.48Å; M289-H293 PolarHBondContact O-N 3.21Å; H293-L295 PolarHBondContact O-N 3.44Å; H293-L296 PolarHBondContact O-N 3.33Å; H293-A297 VanDerWaalsContact O-CB 3.29Å; H293-A297 WeakPolarHBondContact O-CB 3.38Å; H293-A297 PolarHBondContact O-N 3.03Å
294	S	95.3	Very high	93.1	Very high	8 Å²	8	59.5 Å²	59.5	6%	0.056	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-43	174.9	-71.9	0	0	0	0	112	V269 L290 G291 A297 L298	V269-S294 VanDerWaalsContact CG1-O 3.27Å; V269-S294 WeakPolarHBondContact CG1-O 3.36Å; V269-S294 PolarHBondContact O-OG 2.97Å; L290-S294 WeakPolarHBondContact O-CB 3.43Å; L290-S294 PolarHBondContact O-N 3.37Å; L290-S294 PolarHBondContact O-OG 3.25Å; L290-S294 VanDerWaalsContact O-OG 3.08Å; G291-S294 PolarHBondContact O-N 2.94Å; S294-A297 PolarHBondContact O-N 3.49Å; S294-L298 PolarHBondContact O-N 3.33Å
295	L	95.4	Very high	93	Very high	45 Å²	45	57.4 Å²	57.4	24%	0.236	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-43.3	178.3	-174.5	60.8	0	0	0	112	G291 V292 H293 L298 T299 M326 I329 L333	G291-L295 PolarHBondContact O-N 3.17Å; V292-L295 PolarHBondContact O-N 2.89Å; H293-L295 PolarHBondContact O-N 3.44Å; L295-L298 PolarHBondContact O-N 3.4Å; L295-T299 WeakPolarHBondContact O-CB 3.29Å; L295-T299 PolarHBondContact O-N 2.97Å; L295-T299 PolarHBondContact O-OG1 3.22Å; L295-M326 HydrophobicContact CD1-CB 4.18Å; L295-M326 HydrophobicContact CD1-CG 4.31Å; L295-I329 HydrophobicContact CB-CG2 3.86Å; L295-I329 HydrophobicContact CD1-CG2 4.43Å; L295-L333 HydrophobicContact CD2-CD1 4.08Å
296	L	96.1	Very high	92.7	Very high	84 Å²	84	54 Å²	54	44%	0.44	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-46.2	175.2	-74.2	172.7	0	0	0	111.4	V292 H293 L298 T299 F300	V292-L296 HydrophobicContact CG1-CD1 4.04Å; V292-L296 HydrophobicContact CG1-CG 4.48Å; V292-L296 WeakPolarHBondContact O-CG 3.22Å; V292-L296 PolarHBondContact O-N 3.46Å; H293-L296 PolarHBondContact O-N 3.33Å; L296-L298 VanDerWaalsContact C-N 3.33Å; L296-L298 PolarHBondContact O-N 2.86Å; L296-T299 WeakPolarHBondContact O-CB 3.48Å; L296-T299 PolarHBondContact O-N 2.48Å; L296-T299 VanDerWaalsContact O-N 3.12Å; L296-F300 HydrophobicContact CB-CE2 4.28Å; L296-F300 WeakPolarHBondContact O-CD2 3.3Å; L296-F300 PolarHBondContact O-N 3.01Å
297	A	95.3	Very high	92.4	Very high	45 Å²	45	56.2 Å²	56.2	37%	0.372	32%	0.315	S	S	.	.	H	α-helix	trans	-57.3	-45.6	178.5	0	0	0	0	0	111.8	V269 H293 S294 T299 F300 Q301	V269-A297 HydrophobicContact CG2-CB 4.37Å; H293-A297 VanDerWaalsContact O-CB 3.29Å; H293-A297 WeakPolarHBondContact O-CB 3.38Å; H293-A297 PolarHBondContact O-N 3.03Å; S294-A297 PolarHBondContact O-N 3.49Å; A297-T299 VanDerWaalsContact C-N 3.33Å; A297-T299 PolarHBondContact O-N 2.74Å; A297-F300 PolarHBondContact O-N 3.41Å; A297-Q301 WeakPolarHBondContact O-CB 3.32Å; A297-Q301 PolarHBondContact O-N 3.44Å
298	L	94.5	Very high	91.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-68.2	-33.1	178.1	-167.5	61.3	0	0	0	112.2	A266 V269 S294 L295 L296 Q301 F302 I322 C325 M326 I329	A266-L298 HydrophobicContact CB-CD1 3.79Å; V269-L298 HydrophobicContact CG1-CB 4.49Å; S294-L298 PolarHBondContact O-N 3.33Å; L295-L298 PolarHBondContact O-N 3.4Å; L296-L298 VanDerWaalsContact C-N 3.33Å; L296-L298 PolarHBondContact O-N 2.86Å; L298-Q301 PolarHBondContact O-N 3.44Å; L298-F302 WeakPolarHBondContact O-CB 3.34Å; L298-F302 PolarHBondContact O-N 2.96Å; L298-I322 HydrophobicContact CD1-CG2 4.13Å; L298-I322 HydrophobicContact CG-CG2 4.09Å; L298-C325 HydrophobicContact CD2-CB 3.48Å; L298-C325 VanDerWaalsContact CD2-CB 3.48Å; L298-M326 VanDerWaalsContact C-CE 3.5Å; L298-M326 HydrophobicContact CB-CE 4.43Å; L298-M326 HydrophobicContact CB-CG 4.35Å; L298-M326 HydrophobicContact CD2-CB 4.17Å; L298-M326 HydrophobicContact CD2-CG 3.45Å; L298-M326 VanDerWaalsContact CD2-CG 3.45Å; L298-M326 VanDerWaalsContact CD2-N 3.3Å; L298-M326 HydrophobicContact CG-CE 4.07Å; L298-M326 HydrophobicContact CG-CG 3.8Å; L298-M326 VanDerWaalsContact O-CE 3.26Å; L298-M326 WeakPolarHBondContact O-CE 3.45Å; L298-I329 HydrophobicContact CD2-CD1 3.86Å
299	T	93.2	Very high	91.5	Very high	69 Å²	69	58.8 Å²	58.8	42%	0.423	33%	0.327	S	S	.	.	H	α-helix	trans	-66.8	-42.6	174.8	-54.8	0	0	0	0	112	L295 L296 A297 F302 G303	L295-T299 WeakPolarHBondContact O-CB 3.29Å; L295-T299 PolarHBondContact O-N 2.97Å; L295-T299 PolarHBondContact O-OG1 3.22Å; L296-T299 WeakPolarHBondContact O-CB 3.48Å; L296-T299 PolarHBondContact O-N 2.48Å; L296-T299 VanDerWaalsContact O-N 3.12Å; A297-T299 VanDerWaalsContact C-N 3.33Å; A297-T299 PolarHBondContact O-N 2.74Å; T299-F302 PolarHBondContact O-N 3.45Å; T299-G303 PolarHBondContact O-N 3.14Å; T299-G303 VanDerWaalsContact O-N 3.14Å
300	F	93.6	Very high	90.8	Very high	156 Å²	156	53.8 Å²	53.8	68%	0.684	30%	0.303	S	S	*	.	H	α-helix	trans	-64.3	-41.8	173	-72.7	-59.7	0	0	0	111.9	L296 A297 F302 G303 S304	L296-F300 HydrophobicContact CB-CE2 4.28Å; L296-F300 WeakPolarHBondContact O-CD2 3.3Å; L296-F300 PolarHBondContact O-N 3.01Å; A297-F300 PolarHBondContact O-N 3.41Å; F300-F302 PolarHBondContact O-N 3.4Å; F300-G303 PolarHBondContact O-N 3.48Å; F300-S304 PolarHBondContact O-N 3.29Å
301	Q	91.9	Very high	90.3	Very high	29 Å²	29	61.4 Å²	61.4	14%	0.136	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-42.7	177.2	-166.8	-177.1	19.8	0	0	111.9	Q261 A262 A297 L298 G303 S304 V305	Q261-Q301 PolarHBondContact O-NE2 3.25Å; A262-Q301 VanDerWaalsContact CA-NE2 3.32Å; A262-Q301 PolarHBondContact O-NE2 2.91Å; A297-Q301 WeakPolarHBondContact O-CB 3.32Å; A297-Q301 PolarHBondContact O-N 3.44Å; L298-Q301 PolarHBondContact O-N 3.44Å; Q301-G303 VanDerWaalsContact C-N 3.33Å; Q301-G303 PolarHBondContact O-N 2.97Å; Q301-S304 PolarHBondContact O-N 3.36Å; Q301-V305 WeakPolarHBondContact O-CG2 3.32Å; Q301-V305 PolarHBondContact O-N 3.31Å
302	F	91	Very high	89.6	Confident	58 Å²	58	62.9 Å²	62.9	25%	0.254	34%	0.342	S	S	.	.	H	α-helix	trans	-56.5	-47.8	174	-173.6	-124.3	0	0	0	111.8	L298 T299 F300 S304 V305 L306 D319 I322 M326	L298-F302 WeakPolarHBondContact O-CB 3.34Å; L298-F302 PolarHBondContact O-N 2.96Å; T299-F302 PolarHBondContact O-N 3.45Å; F300-F302 PolarHBondContact O-N 3.4Å; F302-S304 VanDerWaalsContact C-N 3.32Å; F302-S304 PolarHBondContact O-N 2.86Å; F302-V305 PolarHBondContact O-N 3.15Å; F302-L306 HydrophobicContact CD1-CD1 3.94Å; F302-L306 HydrophobicContact CD2-CD1 4.44Å; F302-L306 HydrophobicContact CD2-CG 4.42Å; F302-L306 HydrophobicContact CE1-CD1 3.48Å; F302-L306 VanDerWaalsContact CE1-CD1 3.48Å; F302-L306 HydrophobicContact CE1-CG 4.41Å; F302-L306 HydrophobicContact CE2-CD1 4.02Å; F302-L306 HydrophobicContact CE2-CD2 4.29Å; F302-L306 HydrophobicContact CE2-CG 4.12Å; F302-L306 HydrophobicContact CG-CD1 4.41Å; F302-L306 HydrophobicContact CZ-CD1 3.53Å; F302-L306 HydrophobicContact CZ-CD2 4.34Å; F302-L306 HydrophobicContact CZ-CG 4.13Å; F302-L306 WeakPolarHBondContact O-CG 3.21Å; F302-L306 PolarHBondContact O-N 3.01Å; F302-L306 VanDerWaalsContact O-N 3.09Å; F302-D319 HydrophobicContact CE2-CB 4.37Å; F302-I322 HydrophobicContact CB-CG2 3.74Å; F302-I322 HydrophobicContact CD2-CB 3.98Å; F302-I322 HydrophobicContact CD2-CD1 3.88Å; F302-I322 HydrophobicContact CD2-CG2 3.64Å; F302-I322 HydrophobicContact CG-CG2 3.93Å; F302-M326 HydrophobicContact CB-CE 3.64Å; F302-M326 HydrophobicContact CD1-CE 4.46Å; F302-M326 HydrophobicContact CG-CE 4.15Å
303	G	90.7	Very high	89	Confident	34 Å²	34	65.9 Å²	65.9	35%	0.351	37%	0.366	S	S	.	.	H	α-helix	trans	-57.4	-44.4	176.5	0	0	0	0	0	112.5	T299 F300 Q301 L306 T307	T299-G303 PolarHBondContact O-N 3.14Å; T299-G303 VanDerWaalsContact O-N 3.14Å; F300-G303 PolarHBondContact O-N 3.48Å; Q301-G303 VanDerWaalsContact C-N 3.33Å; Q301-G303 PolarHBondContact O-N 2.97Å; G303-L306 PolarHBondContact O-N 3.49Å; G303-T307 PolarHBondContact O-N 3.35Å
304	S	89.5	Confident	88.5	Confident	73 Å²	73	63.3 Å²	63.3	51%	0.51	36%	0.356	S	S	.	.	H	α-helix	trans	-65.7	-38.1	179.3	-168.4	0	0	0	0	113.1	F300 Q301 F302 L306 T307	F300-S304 PolarHBondContact O-N 3.29Å; Q301-S304 PolarHBondContact O-N 3.36Å; F302-S304 VanDerWaalsContact C-N 3.32Å; F302-S304 PolarHBondContact O-N 2.86Å; S304-L306 VanDerWaalsContact C-N 3.35Å; S304-T307 PolarHBondContact O-N 3.29Å; S304-T307 PolarHBondContact O-OG1 2.82Å
305	V	87.3	Confident	88.1	Confident	18 Å²	18	67.8 Å²	67.8	11%	0.109	38%	0.382	C	S	.	.	H	α-helix	trans	-68.5	-37.2	177	170.7	0	0	0	0	111	A262 Q301 F302 T307 D308 L309 I318 I322	A262-V305 HydrophobicContact CB-CG2 3.99Å; Q301-V305 WeakPolarHBondContact O-CG2 3.32Å; Q301-V305 PolarHBondContact O-N 3.31Å; F302-V305 PolarHBondContact O-N 3.15Å; V305-T307 VanDerWaalsContact C-N 3.31Å; V305-T307 PolarHBondContact O-N 2.84Å; V305-D308 PolarHBondContact O-N 2.98Å; V305-L309 HydrophobicContact CG1-CD1 4.16Å; V305-I318 HydrophobicContact CG1-CD1 3.61Å; V305-I318 HydrophobicContact CG1-CG1 4.23Å; V305-I318 HydrophobicContact CG1-CG2 4.44Å; V305-I318 HydrophobicContact CG2-CD1 4.46Å; V305-I322 HydrophobicContact CG2-CD1 4.44Å
306	L	85	Confident	87.9	Confident	64 Å²	64	66 Å²	66	34%	0.335	37%	0.373	S	S	.	.	H	α-helix	trans	-70.5	-23	179.5	-71.8	-179.3	0	0	0	113.8	F302 G303 S304 D308	F302-L306 HydrophobicContact CD1-CD1 3.94Å; F302-L306 HydrophobicContact CD2-CD1 4.44Å; F302-L306 HydrophobicContact CD2-CG 4.42Å; F302-L306 HydrophobicContact CE1-CD1 3.48Å; F302-L306 VanDerWaalsContact CE1-CD1 3.48Å; F302-L306 HydrophobicContact CE1-CG 4.41Å; F302-L306 HydrophobicContact CE2-CD1 4.02Å; F302-L306 HydrophobicContact CE2-CD2 4.29Å; F302-L306 HydrophobicContact CE2-CG 4.12Å; F302-L306 HydrophobicContact CG-CD1 4.41Å; F302-L306 HydrophobicContact CZ-CD1 3.53Å; F302-L306 HydrophobicContact CZ-CD2 4.34Å; F302-L306 HydrophobicContact CZ-CG 4.13Å; F302-L306 WeakPolarHBondContact O-CG 3.21Å; F302-L306 PolarHBondContact O-N 3.01Å; F302-L306 VanDerWaalsContact O-N 3.09Å; G303-L306 PolarHBondContact O-N 3.49Å; S304-L306 VanDerWaalsContact C-N 3.35Å; L306-D308 VanDerWaalsContact C-N 3.32Å
307	T	85.9	Confident	87.7	Confident	106 Å²	106	62.1 Å²	62.1	65%	0.65	35%	0.353	S	S	*	.	H	α-helix	trans	-73.3	-27.1	177.3	49.9	0	0	0	0	113	G303 S304 V305 L309	G303-T307 PolarHBondContact O-N 3.35Å; S304-T307 PolarHBondContact O-N 3.29Å; S304-T307 PolarHBondContact O-OG1 2.82Å; V305-T307 VanDerWaalsContact C-N 3.31Å; V305-T307 PolarHBondContact O-N 2.84Å; T307-L309 VanDerWaalsContact C-N 3.31Å
308	D	81.5	Confident	87.6	Confident	105 Å²	105	60 Å²	60	56%	0.561	34%	0.335	S	S	*	.	S	Bend	trans	-83.6	-11.3	-177.5	-64.5	-12.4	0	0	0	112.5	V305 L306	V305-D308 PolarHBondContact O-N 2.98Å; L306-D308 VanDerWaalsContact C-N 3.32Å
309	L	82.2	Confident	87.4	Confident	9 Å²	9	61.1 Å²	61.1	5%	0.047	34%	0.341	C	S	.	.	S	Bend	trans	-112.4	150.1	-175	-64.9	165.5	0	0	0	111.7	F181 V305 T307 K311 K316	F181-L309 HydrophobicContact CD1-CD1 4.01Å; F181-L309 HydrophobicContact CD2-CD2 3.94Å; F181-L309 HydrophobicContact CE1-CD1 3.58Å; F181-L309 HydrophobicContact CE1-CD2 4.12Å; F181-L309 HydrophobicContact CE1-CG 4.43Å; F181-L309 HydrophobicContact CE2-CD1 4.39Å; F181-L309 HydrophobicContact CE2-CD2 3.38Å; F181-L309 HydrophobicContact CE2-CG 4.47Å; F181-L309 HydrophobicContact CZ-CD1 3.79Å; F181-L309 HydrophobicContact CZ-CD2 3.49Å; F181-L309 VanDerWaalsContact CZ-CD2 3.49Å; F181-L309 HydrophobicContact CZ-CG 4.14Å; V305-L309 HydrophobicContact CG1-CD1 4.16Å; T307-L309 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 3.28Å; L309-K316 HydrophobicContact CD1-CD 4.23Å
310	P	80.7	Confident	87.4	Confident	9 Å²	9	60.1 Å²	60.1	6%	0.058	34%	0.335	C	S	.	.			trans	-57.8	142.2	168.6	17.3	-24.5	0	0	0	110.7	E86 L87 L178 T312	E86-P310 HydrophobicContact CB-CG 4.32Å; L87-P310 VanDerWaalsContact CD2-CA 3.42Å; L87-P310 HydrophobicContact CD2-CB 3.68Å; L87-P310 HydrophobicContact CD2-CG 4.23Å; L178-P310 HydrophobicContact CD1-CG 3.79Å; P310-T312 HydrophobicContact CB-CG2 4.42Å; P310-T312 HydrophobicContact CG-CG2 4.38Å; P310-T312 PolarHBondContact O-N 3.22Å
311	K	81.9	Confident	87.4	Confident	211 Å²	211	52.7 Å²	52.7	92%	0.917	30%	0.302	S	S	*	.			trans	-60.9	115.1	166.1	-62.7	-177.6	-178	179.1	0	108.4	L309	L309-K311 PolarHBondContact O-N 3.28Å
312	T	80.2	Confident	87.5	Confident	32 Å²	32	51.3 Å²	51.3	20%	0.196	30%	0.296	C	S	.	.			trans	-121.9	149.6	175.5	58.8	0	0	0	0	109.5	L178 P310 D314	L178-T312 HydrophobicContact CD1-CG2 3.89Å; P310-T312 HydrophobicContact CB-CG2 4.42Å; P310-T312 HydrophobicContact CG-CG2 4.38Å; P310-T312 PolarHBondContact O-N 3.22Å; T312-D314 PolarHBondContact OG1-O 3.06Å
313	S	82.6	Confident	87.6	Confident	122 Å²	122	54.1 Å²	54.1	85%	0.853	31%	0.313	S	S	*	.	S	Bend	trans	-76	-17	166.5	49.6	0	0	0	0	112.3
314	D	83.8	Confident	87.7	Confident	53 Å²	53	54.2 Å²	54.2	28%	0.283	31%	0.308	S	S	.	.	S	Bend	trans	-69.4	134.6	-178	-54.3	-51.7	0	0	0	111.1	K179 T312 K316	K179-D314 HydrophobicContact CG-CB 4.39Å; T312-D314 PolarHBondContact OG1-O 3.06Å; D314-K316 PolarHBondContact O-N 3.22Å
315	V	88.1	Confident	88	Confident	101 Å²	101	50.7 Å²	50.7	61%	0.612	28%	0.283	S	S	*	.			trans	-73.7	114.5	170.3	179.5	0	0	0	0	107.8	V320	V315-V320 HydrophobicContact CG1-CG2 3.62Å
316	K	90.7	Very high	88.3	Confident	9 Å²	9	51.1 Å²	51.1	4%	0.039	28%	0.284	C	S	.	.			trans	-88.2	150.8	-180	-57.4	177.6	-65.1	-55.7	0	110.1	L178 F181 L309 D314 I318 D319 V320	L178-K316 HydrophobicContact CB-CD 4.42Å; L178-K316 HydrophobicContact CB-CG 4.45Å; L178-K316 WeakPolarHBondContact O-CG 3.23Å; F181-K316 HydrophobicContact CB-CB 4.49Å; F181-K316 HydrophobicContact CB-CD 4.46Å; L309-K316 HydrophobicContact CD1-CD 4.23Å; D314-K316 PolarHBondContact O-N 3.22Å; K316-I318 HydrophobicContact CB-CG2 3.97Å; K316-I318 PolarHBondContact O-N 2.93Å; K316-D319 WeakPolarHBondContact CB-OD2 3.09Å; K316-D319 WeakPolarHBondContact CE-OD1 3.46Å; K316-D319 WeakPolarHBondContact CE-OD2 3.45Å; K316-D319 PolarHBondContact N-OD2 3.37Å; K316-D319 VanDerWaalsContact NZ-CG 3.29Å; K316-D319 IonicContact NZ-OD1 3.33Å; K316-D319 PolarHBondContact NZ-OD1 3.46Å; K316-D319 VanDerWaalsContact NZ-OD1 3.11Å; K316-D319 IonicContact NZ-OD2 2.76Å; K316-D319 PolarHBondContact NZ-OD2 3.28Å; K316-D319 WeakPolarHBondContact O-CA 3.33Å; K316-D319 WeakPolarHBondContact O-CB 3.26Å; K316-D319 PolarHBondContact O-N 3.35Å; K316-V320 PolarHBondContact O-N 3.05Å
317	A	92.4	Very high	88.8	Confident	2 Å²	2	50.5 Å²	50.5	2%	0.017	29%	0.288	C	S	.	.	H	α-helix	trans	-52.2	-44.9	175.3	0	0	0	0	0	111.8	K179 F181 D319 V320 W321 Y389 F393	K179-A317 PolarHBondContact O-N 2.94Å; F181-A317 WeakPolarHBondContact O-CB 3.28Å; A317-D319 VanDerWaalsContact C-N 3.27Å; A317-D319 PolarHBondContact O-N 2.91Å; A317-V320 WeakPolarHBondContact O-CB 3.42Å; A317-V320 PolarHBondContact O-N 3.27Å; A317-V320 VanDerWaalsContact O-N 3.14Å; A317-W321 PolarHBondContact O-N 2.86Å; A317-Y389 WeakPolarHBondContact O-CE2 3.4Å; A317-Y389 PolarHBondContact O-OH 3.42Å; A317-F393 HydrophobicContact CB-CD1 3.42Å; A317-F393 VanDerWaalsContact CB-CD1 3.42Å; A317-F393 HydrophobicContact CB-CD2 3.98Å; A317-F393 HydrophobicContact CB-CE1 3.31Å; A317-F393 HydrophobicContact CB-CE2 3.9Å; A317-F393 HydrophobicContact CB-CG 3.77Å; A317-F393 HydrophobicContact CB-CZ 3.57Å
318	I	92.1	Very high	89.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-32.4	176	-164.8	157.7	0	0	0	113.8	F181 A262 Y263 V305 K316 W321 I322	F181-I318 HydrophobicContact CD1-CB 4.22Å; F181-I318 HydrophobicContact CD1-CG2 3.65Å; F181-I318 HydrophobicContact CE1-CD1 4.12Å; F181-I318 HydrophobicContact CE1-CG2 4.02Å; F181-I318 PolarHBondContact O-N 3.44Å; A262-I318 HydrophobicContact CB-CD1 3.8Å; Y263-I318 HydrophobicContact CE2-CD1 4.3Å; V305-I318 HydrophobicContact CG1-CD1 3.61Å; V305-I318 HydrophobicContact CG1-CG1 4.23Å; V305-I318 HydrophobicContact CG1-CG2 4.44Å; V305-I318 HydrophobicContact CG2-CD1 4.46Å; K316-I318 HydrophobicContact CB-CG2 3.97Å; K316-I318 PolarHBondContact O-N 2.93Å; I318-W321 WeakPolarHBondContact O-CB 3.39Å; I318-W321 PolarHBondContact O-N 3.43Å; I318-I322 HydrophobicContact CG1-CD1 3.87Å; I318-I322 HydrophobicContact CG1-CG1 4.36Å; I318-I322 WeakPolarHBondContact O-CB 3.42Å; I318-I322 WeakPolarHBondContact O-CG1 3.36Å; I318-I322 PolarHBondContact O-N 3.03Å
319	D	91.6	Very high	89.8	Confident	24 Å²	24	41.9 Å²	41.9	13%	0.128	24%	0.237	C	C	.	.	H	α-helix	trans	-68.3	-43	176.8	-57	-29.7	0	0	0	109.8	F302 K316 A317 I322 L323	F302-D319 HydrophobicContact CE2-CB 4.37Å; K316-D319 WeakPolarHBondContact CB-OD2 3.09Å; K316-D319 WeakPolarHBondContact CE-OD1 3.46Å; K316-D319 WeakPolarHBondContact CE-OD2 3.45Å; K316-D319 PolarHBondContact N-OD2 3.37Å; K316-D319 VanDerWaalsContact NZ-CG 3.29Å; K316-D319 IonicContact NZ-OD1 3.33Å; K316-D319 PolarHBondContact NZ-OD1 3.46Å; K316-D319 VanDerWaalsContact NZ-OD1 3.11Å; K316-D319 IonicContact NZ-OD2 2.76Å; K316-D319 PolarHBondContact NZ-OD2 3.28Å; K316-D319 WeakPolarHBondContact O-CA 3.33Å; K316-D319 WeakPolarHBondContact O-CB 3.26Å; K316-D319 PolarHBondContact O-N 3.35Å; A317-D319 VanDerWaalsContact C-N 3.27Å; A317-D319 PolarHBondContact O-N 2.91Å; D319-I322 PolarHBondContact O-N 3.44Å; D319-L323 WeakPolarHBondContact O-CB 3.48Å; D319-L323 PolarHBondContact O-N 3.21Å
320	V	92.5	Very high	90.4	Very high	47 Å²	47	46.9 Å²	46.9	29%	0.285	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-45.7	174.9	-179.8	0	0	0	0	110.3	V315 K316 A317 C324	V315-V320 HydrophobicContact CG1-CG2 3.62Å; K316-V320 PolarHBondContact O-N 3.05Å; A317-V320 WeakPolarHBondContact O-CB 3.42Å; A317-V320 PolarHBondContact O-N 3.27Å; A317-V320 VanDerWaalsContact O-N 3.14Å; V320-C324 VanDerWaalsContact O-CB 3.24Å; V320-C324 WeakPolarHBondContact O-CB 3.28Å; V320-C324 PolarHBondContact O-N 3.38Å; V320-C324 PolarHBondContact O-SG 3.47Å
321	W	93.7	Very high	91	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-55.2	-55.5	176.7	174.3	-104.7	0	0	0	112.2	Y263 Y267 A317 I318 C324 C325 F382 F385 N386 Y389	Y263-W321 AromaticContact CD1-CD1 3.9Å; Y263-W321 AromaticContact CD1-CD2 3.85Å; Y263-W321 HydrophobicContact CD1-CD2 3.85Å; Y263-W321 AromaticContact CD1-CE2 3.69Å; Y263-W321 HydrophobicContact CD1-CE3 4.47Å; Y263-W321 HydrophobicContact CD1-CG 4.03Å; Y263-W321 HydrophobicContact CD1-CZ2 4.26Å; Y263-W321 AromaticContact CD1-NE1 3.68Å; Y263-W321 HydrophobicContact CE1-CB 4.31Å; Y263-W321 AromaticContact CE1-CD2 3.82Å; Y263-W321 HydrophobicContact CE1-CD2 3.82Å; Y263-W321 HydrophobicContact CE1-CE3 4.29Å; Y263-W321 AromaticContact CE1-CG 3.78Å; Y263-W321 HydrophobicContact CE1-CG 3.78Å; Y267-W321 HydrophobicContact CD1-CH2 4.09Å; Y267-W321 HydrophobicContact CD1-CZ2 4.12Å; Y267-W321 HydrophobicContact CD2-CH2 4.36Å; Y267-W321 AromaticContact CD2-CZ2 3.87Å; Y267-W321 HydrophobicContact CD2-CZ2 3.87Å; Y267-W321 AromaticContact CE1-CH2 3.41Å; Y267-W321 HydrophobicContact CE1-CH2 3.41Å; Y267-W321 VanDerWaalsContact CE1-CH2 3.41Å; Y267-W321 AromaticContact CE1-CZ2 3.85Å; Y267-W321 HydrophobicContact CE1-CZ2 3.85Å; Y267-W321 AromaticContact CE2-CH2 3.72Å; Y267-W321 HydrophobicContact CE2-CH2 3.72Å; Y267-W321 AromaticContact CE2-CZ2 3.57Å; Y267-W321 HydrophobicContact CE2-CZ2 3.57Å; Y267-W321 HydrophobicContact CG-CZ2 4.13Å; Y267-W321 AromaticContact CZ-CH2 3.19Å; Y267-W321 AromaticContact CZ-CZ2 3.56Å; Y267-W321 VanDerWaalsContact OH-CH2 3.3Å; Y267-W321 WeakPolarHBondContact OH-CH2 3.31Å; A317-W321 PolarHBondContact O-N 2.86Å; I318-W321 WeakPolarHBondContact O-CB 3.39Å; I318-W321 PolarHBondContact O-N 3.43Å; W321-C324 PolarHBondContact O-N 3.41Å; W321-C325 WeakPolarHBondContact O-CB 3.36Å; W321-C325 PolarHBondContact O-N 3.12Å; W321-C325 PolarHBondContact O-SG 3.18Å; W321-F382 HydrophobicContact CH2-CE2 4.38Å; W321-F382 AromaticContact CH2-CZ 3.91Å; W321-F382 HydrophobicContact CH2-CZ 3.91Å; W321-F382 HydrophobicContact CZ2-CZ 4.43Å; W321-F385 AromaticContact CE3-CE1 3.61Å; W321-F385 HydrophobicContact CE3-CE1 3.61Å; W321-F385 AromaticContact CE3-CZ 3.97Å; W321-F385 HydrophobicContact CE3-CZ 3.97Å; W321-F385 HydrophobicContact CH2-CE1 4.37Å; W321-F385 HydrophobicContact CZ3-CD1 4.2Å; W321-F385 AromaticContact CZ3-CE1 3.47Å; W321-F385 HydrophobicContact CZ3-CE1 3.47Å; W321-F385 VanDerWaalsContact CZ3-CE1 3.47Å; W321-F385 HydrophobicContact CZ3-CZ 4.26Å; W321-N386 WeakPolarHBondContact CH2-OD1 3.31Å; W321-N386 VanDerWaalsContact CZ3-OD1 3.29Å; W321-N386 WeakPolarHBondContact CZ3-OD1 3.39Å; W321-Y389 HydrophobicContact CB-CE2 3.75Å; W321-Y389 AromaticContact CE3-CD1 3.85Å; W321-Y389 HydrophobicContact CE3-CD1 3.85Å; W321-Y389 HydrophobicContact CE3-CD2 4.19Å; W321-Y389 AromaticContact CE3-CE1 3.97Å; W321-Y389 HydrophobicContact CE3-CE1 3.97Å; W321-Y389 HydrophobicContact CE3-CE2 4.29Å; W321-Y389 AromaticContact CE3-CG 3.98Å; W321-Y389 HydrophobicContact CE3-CG 3.98Å; W321-Y389 HydrophobicContact CZ3-CD1 4.29Å; W321-Y389 HydrophobicContact CZ3-CG 4.46Å
322	I	93.1	Very high	91.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.4	-42.3	-175.3	-67	173.2	0	0	0	110.6	L298 F302 V305 I318 D319 C324 C325 M326	L298-I322 HydrophobicContact CD1-CG2 4.13Å; L298-I322 HydrophobicContact CG-CG2 4.09Å; F302-I322 HydrophobicContact CB-CG2 3.74Å; F302-I322 HydrophobicContact CD2-CB 3.98Å; F302-I322 HydrophobicContact CD2-CD1 3.88Å; F302-I322 HydrophobicContact CD2-CG2 3.64Å; F302-I322 HydrophobicContact CG-CG2 3.93Å; V305-I322 HydrophobicContact CG2-CD1 4.44Å; I318-I322 HydrophobicContact CG1-CD1 3.87Å; I318-I322 HydrophobicContact CG1-CG1 4.36Å; I318-I322 WeakPolarHBondContact O-CB 3.42Å; I318-I322 WeakPolarHBondContact O-CG1 3.36Å; I318-I322 PolarHBondContact O-N 3.03Å; D319-I322 PolarHBondContact O-N 3.44Å; I322-C324 PolarHBondContact O-N 3Å; I322-C325 PolarHBondContact O-N 3.39Å; I322-M326 HydrophobicContact CG2-CE 3.63Å; I322-M326 HydrophobicContact CG2-CG 4.48Å; I322-M326 HydrophobicContact CG2-SD 4.31Å; I322-M326 WeakPolarHBondContact O-CG 3.22Å; I322-M326 PolarHBondContact O-N 2.67Å
323	L	93.2	Very high	92	Very high	117 Å²	117	39.3 Å²	39.3	61%	0.613	23%	0.23	S	C	*	.	H	α-helix	trans	-64.2	-40.7	178.1	-175.2	65.5	0	0	0	112.1	D319 M326 A327	D319-L323 WeakPolarHBondContact O-CB 3.48Å; D319-L323 PolarHBondContact O-N 3.21Å; L323-M326 PolarHBondContact O-N 2.75Å; L323-A327 WeakPolarHBondContact O-CB 3.16Å; L323-A327 PolarHBondContact O-N 2.97Å
324	C	94.4	Very high	92.5	Very high	36 Å²	36	38.1 Å²	38.1	24%	0.243	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-45	174.2	-74.6	0	0	0	0	111.2	V320 W321 I322 M326 A327 F328 F385	V320-C324 VanDerWaalsContact O-CB 3.24Å; V320-C324 WeakPolarHBondContact O-CB 3.28Å; V320-C324 PolarHBondContact O-N 3.38Å; V320-C324 PolarHBondContact O-SG 3.47Å; W321-C324 PolarHBondContact O-N 3.41Å; I322-C324 PolarHBondContact O-N 3Å; C324-M326 VanDerWaalsContact C-N 3.32Å; C324-M326 PolarHBondContact O-N 3.47Å; C324-A327 WeakPolarHBondContact O-CB 3.48Å; C324-A327 PolarHBondContact O-N 3.39Å; C324-A327 VanDerWaalsContact O-N 3.16Å; C324-F328 WeakPolarHBondContact O-CD2 3.27Å; C324-F328 PolarHBondContact O-N 2.91Å; C324-F385 HydrophobicContact CB-CD2 4.4Å; C324-F385 HydrophobicContact CB-CE1 3.89Å; C324-F385 HydrophobicContact CB-CE2 3.62Å; C324-F385 HydrophobicContact CB-CZ 3.32Å; C324-F385 VanDerWaalsContact SG-CE2 3.52Å
325	C	95.4	Very high	92.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.2	-41.1	174.3	-72.1	0	0	0	0	112.1	V270 L298 W321 I322 F328 I329	V270-C325 HydrophobicContact CG2-CB 3.86Å; L298-C325 HydrophobicContact CD2-CB 3.48Å; L298-C325 VanDerWaalsContact CD2-CB 3.48Å; W321-C325 WeakPolarHBondContact O-CB 3.36Å; W321-C325 PolarHBondContact O-N 3.12Å; W321-C325 PolarHBondContact O-SG 3.18Å; I322-C325 PolarHBondContact O-N 3.39Å; C325-F328 PolarHBondContact O-N 3.42Å; C325-I329 WeakPolarHBondContact O-CG1 3.2Å; C325-I329 PolarHBondContact O-N 3.44Å; C325-I329 VanDerWaalsContact O-N 3.15Å
326	M	94.1	Very high	92.9	Very high	27 Å²	27	31.8 Å²	31.8	13%	0.133	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-42.6	174.1	-72.6	175.8	177.8	0	0	111.7	L295 L298 F302 I322 L323 C324 F328 I329 F330	L295-M326 HydrophobicContact CD1-CB 4.18Å; L295-M326 HydrophobicContact CD1-CG 4.31Å; L298-M326 VanDerWaalsContact C-CE 3.5Å; L298-M326 HydrophobicContact CB-CE 4.43Å; L298-M326 HydrophobicContact CB-CG 4.35Å; L298-M326 HydrophobicContact CD2-CB 4.17Å; L298-M326 HydrophobicContact CD2-CG 3.45Å; L298-M326 VanDerWaalsContact CD2-CG 3.45Å; L298-M326 VanDerWaalsContact CD2-N 3.3Å; L298-M326 HydrophobicContact CG-CE 4.07Å; L298-M326 HydrophobicContact CG-CG 3.8Å; L298-M326 VanDerWaalsContact O-CE 3.26Å; L298-M326 WeakPolarHBondContact O-CE 3.45Å; F302-M326 HydrophobicContact CB-CE 3.64Å; F302-M326 HydrophobicContact CD1-CE 4.46Å; F302-M326 HydrophobicContact CG-CE 4.15Å; I322-M326 HydrophobicContact CG2-CE 3.63Å; I322-M326 HydrophobicContact CG2-CG 4.48Å; I322-M326 HydrophobicContact CG2-SD 4.31Å; I322-M326 WeakPolarHBondContact O-CG 3.22Å; I322-M326 PolarHBondContact O-N 2.67Å; L323-M326 PolarHBondContact O-N 2.75Å; C324-M326 VanDerWaalsContact C-N 3.32Å; C324-M326 PolarHBondContact O-N 3.47Å; M326-F328 VanDerWaalsContact C-N 3.35Å; M326-F328 PolarHBondContact O-N 2.98Å; M326-I329 PolarHBondContact O-N 2.98Å; M326-F330 WeakPolarHBondContact O-CB 3.46Å; M326-F330 PolarHBondContact O-N 3.06Å
327	A	94.5	Very high	92.9	Very high	50 Å²	50	34.4 Å²	34.4	41%	0.413	20%	0.199	S	C	.	.	H	α-helix	trans	-62.7	-40.4	177.1	0	0	0	0	0	111.8	L323 C324 F330 C331	L323-A327 WeakPolarHBondContact O-CB 3.16Å; L323-A327 PolarHBondContact O-N 2.97Å; C324-A327 WeakPolarHBondContact O-CB 3.48Å; C324-A327 PolarHBondContact O-N 3.39Å; C324-A327 VanDerWaalsContact O-N 3.16Å; A327-F330 PolarHBondContact O-N 2.87Å; A327-C331 WeakPolarHBondContact O-CB 3.49Å; A327-C331 PolarHBondContact O-N 3.34Å; A327-C331 PolarHBondContact O-SG 3.21Å
328	F	94.4	Very high	92.7	Very high	31 Å²	31	38.4 Å²	38.4	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-44.2	174.6	-82.5	-71.4	0	0	0	112.5	C324 C325 M326 F330 C331 S332 F378 V381 F382 F385	C324-F328 WeakPolarHBondContact O-CD2 3.27Å; C324-F328 PolarHBondContact O-N 2.91Å; C325-F328 PolarHBondContact O-N 3.42Å; M326-F328 VanDerWaalsContact C-N 3.35Å; M326-F328 PolarHBondContact O-N 2.98Å; F328-F330 VanDerWaalsContact C-N 3.34Å; F328-C331 PolarHBondContact O-N 2.98Å; F328-S332 PolarHBondContact O-N 3.33Å; F328-F378 HydrophobicContact CD1-CD1 4.47Å; F328-V381 HydrophobicContact CE1-CB 4.18Å; F328-V381 HydrophobicContact CE1-CG1 3.72Å; F328-V381 HydrophobicContact CZ-CG1 3.86Å; F328-F382 AromaticContact CD2-CD2 3.76Å; F328-F382 HydrophobicContact CD2-CD2 3.76Å; F328-F382 HydrophobicContact CD2-CE2 4.32Å; F328-F382 HydrophobicContact CE1-CB 4.37Å; F328-F382 AromaticContact CE2-CD2 3.77Å; F328-F382 HydrophobicContact CE2-CD2 3.77Å; F328-F382 HydrophobicContact CG-CD2 4.27Å; F328-F382 HydrophobicContact CZ-CB 4.35Å; F328-F382 HydrophobicContact CZ-CD2 4.25Å; F328-F385 HydrophobicContact CE2-CB 4.18Å; F328-F385 HydrophobicContact CE2-CD1 4.07Å; F328-F385 HydrophobicContact CE2-CG 4.09Å; F328-F385 HydrophobicContact CZ-CB 4.19Å
329	I	94.3	Very high	92.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68	-36.7	177	-62.4	165.6	0	0	0	110.8	V269 V270 G291 L295 L298 C325 M326 S332 L333	V269-I329 HydrophobicContact CG1-CD1 3.94Å; V270-I329 HydrophobicContact CG2-CD1 4.3Å; V270-I329 HydrophobicContact CG2-CG1 4.48Å; G291-I329 WeakPolarHBondContact O-CG2 3.07Å; L295-I329 HydrophobicContact CB-CG2 3.86Å; L295-I329 HydrophobicContact CD1-CG2 4.43Å; L298-I329 HydrophobicContact CD2-CD1 3.86Å; C325-I329 WeakPolarHBondContact O-CG1 3.2Å; C325-I329 PolarHBondContact O-N 3.44Å; C325-I329 VanDerWaalsContact O-N 3.15Å; M326-I329 PolarHBondContact O-N 2.98Å; I329-S332 PolarHBondContact O-N 3.06Å; I329-S332 PolarHBondContact O-OG 3.31Å; I329-L333 PolarHBondContact O-N 2.82Å
330	F	94.3	Very high	92.3	Very high	113 Å²	113	38.6 Å²	38.6	50%	0.496	23%	0.227	S	C	.	.	H	α-helix	trans	-64.6	-41.9	174.3	-178.3	-102	0	0	0	111.8	M326 A327 F328 S332 L333 L334	M326-F330 WeakPolarHBondContact O-CB 3.46Å; M326-F330 PolarHBondContact O-N 3.06Å; A327-F330 PolarHBondContact O-N 2.87Å; F328-F330 VanDerWaalsContact C-N 3.34Å; F330-S332 VanDerWaalsContact C-N 3.32Å; F330-S332 PolarHBondContact O-N 2.97Å; F330-L333 WeakPolarHBondContact O-CB 3.46Å; F330-L333 PolarHBondContact O-N 3.02Å; F330-L334 HydrophobicContact CD1-CD1 4.01Å; F330-L334 HydrophobicContact CD1-CG 4.36Å; F330-L334 HydrophobicContact CE1-CD1 3.58Å; F330-L334 HydrophobicContact CE1-CD2 4.42Å; F330-L334 HydrophobicContact CE1-CG 3.99Å; F330-L334 HydrophobicContact CZ-CD1 4.28Å; F330-L334 HydrophobicContact CZ-CD2 4.31Å; F330-L334 HydrophobicContact CZ-CG 4.29Å; F330-L334 PolarHBondContact O-N 3.49Å
331	C	93.6	Very high	92	Very high	60 Å²	60	43.1 Å²	43.1	41%	0.405	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-35.4	174.1	-72.6	0	0	0	0	112.5	A327 F328 L333 L334 E335 F378	A327-C331 WeakPolarHBondContact O-CB 3.49Å; A327-C331 PolarHBondContact O-N 3.34Å; A327-C331 PolarHBondContact O-SG 3.21Å; F328-C331 PolarHBondContact O-N 2.98Å; C331-L333 VanDerWaalsContact C-N 3.34Å; C331-L334 PolarHBondContact O-N 3.36Å; C331-E335 PolarHBondContact O-N 2.62Å; C331-F378 HydrophobicContact CB-CE1 3.8Å; C331-F378 HydrophobicContact CB-CZ 4.12Å
332	S	91.2	Very high	91.5	Very high	2 Å²	2	45 Å²	45	1%	0.014	25%	0.25	C	C	.	.	H	α-helix	trans	-68.9	-33.2	174.4	70.8	0	0	0	0	112.3	F328 I329 F330 E335 L336	F328-S332 PolarHBondContact O-N 3.33Å; I329-S332 PolarHBondContact O-N 3.06Å; I329-S332 PolarHBondContact O-OG 3.31Å; F330-S332 VanDerWaalsContact C-N 3.32Å; F330-S332 PolarHBondContact O-N 2.97Å; S332-E335 PolarHBondContact O-N 3.14Å; S332-L336 WeakPolarHBondContact O-CB 3.33Å; S332-L336 PolarHBondContact O-N 3.45Å
333	L	92.8	Very high	91	Very high	32 Å²	32	46.4 Å²	46.4	17%	0.168	26%	0.259	C	S	.	.	H	α-helix	trans	-67.8	-37.4	171	-73.7	173.5	0	0	0	113	V292 L295 I329 F330 C331 E335 L336 A337	V292-L333 HydrophobicContact CG2-CD2 4.27Å; L295-L333 HydrophobicContact CD2-CD1 4.08Å; I329-L333 PolarHBondContact O-N 2.82Å; F330-L333 WeakPolarHBondContact O-CB 3.46Å; F330-L333 PolarHBondContact O-N 3.02Å; C331-L333 VanDerWaalsContact C-N 3.34Å; L333-E335 VanDerWaalsContact C-N 3.35Å; L333-L336 HydrophobicContact CD2-CD2 4.44Å; L333-L336 WeakPolarHBondContact O-CB 3.27Å; L333-L336 PolarHBondContact O-N 3.33Å; L333-A337 WeakPolarHBondContact O-CB 3.36Å; L333-A337 PolarHBondContact O-N 3.45Å
334	L	92.8	Very high	90.3	Very high	96 Å²	96	49.6 Å²	49.6	50%	0.503	26%	0.263	S	S	.	.	H	α-helix	trans	-65	-40.7	173.5	-73.2	177.8	0	0	0	111.8	F330 C331 A337 L338	F330-L334 HydrophobicContact CD1-CD1 4.01Å; F330-L334 HydrophobicContact CD1-CG 4.36Å; F330-L334 HydrophobicContact CE1-CD1 3.58Å; F330-L334 HydrophobicContact CE1-CD2 4.42Å; F330-L334 HydrophobicContact CE1-CG 3.99Å; F330-L334 HydrophobicContact CZ-CD1 4.28Å; F330-L334 HydrophobicContact CZ-CD2 4.31Å; F330-L334 HydrophobicContact CZ-CG 4.29Å; F330-L334 PolarHBondContact O-N 3.49Å; C331-L334 PolarHBondContact O-N 3.36Å; L334-A337 PolarHBondContact O-N 3.22Å; L334-L338 PolarHBondContact O-N 3.13Å
335	E	91.3	Very high	89.3	Confident	15 Å²	15	51.6 Å²	51.6	7%	0.07	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-46.3	174	-170.5	-89.6	-176.4	0	0	111.1	R287 C331 S332 L333 A337 L338 V339 I370 S374 F378	R287-E335 IonicContact NH2-OE2 3.42Å; C331-E335 PolarHBondContact O-N 2.62Å; S332-E335 PolarHBondContact O-N 3.14Å; L333-E335 VanDerWaalsContact C-N 3.35Å; E335-A337 VanDerWaalsContact C-N 3.32Å; E335-A337 PolarHBondContact O-N 3.03Å; E335-L338 WeakPolarHBondContact O-CB 3.49Å; E335-L338 PolarHBondContact O-N 2.81Å; E335-L338 VanDerWaalsContact O-N 3.12Å; E335-V339 WeakPolarHBondContact O-CG2 3.29Å; E335-V339 PolarHBondContact O-N 3.25Å; E335-I370 HydrophobicContact CG-CG2 3.99Å; E335-I370 WeakPolarHBondContact OE1-CG2 3.41Å; E335-S374 WeakPolarHBondContact CG-OG 3.27Å; E335-S374 PolarHBondContact OE1-OG 3.4Å; E335-F378 HydrophobicContact CB-CE2 4.5Å; E335-F378 HydrophobicContact CB-CZ 4.38Å; E335-F378 HydrophobicContact CG-CE2 4.48Å
336	L	89.3	Confident	88	Confident	7 Å²	7	53.4 Å²	53.4	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-43.5	175.5	179.8	64.5	0	0	0	112.4	I284 R287 T288 S332 L333 L338 V339 G340	I284-L336 HydrophobicContact CD1-CD1 3.67Å; I284-L336 HydrophobicContact CD1-CD2 4.42Å; I284-L336 HydrophobicContact CD1-CG 3.93Å; R287-L336 HydrophobicContact CB-CD1 3.51Å; R287-L336 HydrophobicContact CB-CD2 3.93Å; R287-L336 HydrophobicContact CB-CG 4.38Å; R287-L336 HydrophobicContact CG-CD1 4.25Å; T288-L336 VanDerWaalsContact CA-CD2 3.48Å; S332-L336 WeakPolarHBondContact O-CB 3.33Å; S332-L336 PolarHBondContact O-N 3.45Å; L333-L336 HydrophobicContact CD2-CD2 4.44Å; L333-L336 WeakPolarHBondContact O-CB 3.27Å; L333-L336 PolarHBondContact O-N 3.33Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 3.2Å; L336-V339 PolarHBondContact O-N 3.01Å; L336-G340 PolarHBondContact O-N 3.48Å
337	A	90.2	Very high	86.4	Confident	63 Å²	63	57 Å²	57	52%	0.521	30%	0.301	S	S	.	.	H	α-helix	trans	-63.4	-40.1	177.4	0	0	0	0	0	111.5	L333 L334 E335 Y341	L333-A337 WeakPolarHBondContact O-CB 3.36Å; L333-A337 PolarHBondContact O-N 3.45Å; L334-A337 PolarHBondContact O-N 3.22Å; E335-A337 VanDerWaalsContact C-N 3.32Å; E335-A337 PolarHBondContact O-N 3.03Å; A337-Y341 WeakPolarHBondContact O-CB 3.38Å; A337-Y341 PolarHBondContact O-N 2.87Å
338	L	89	Confident	84.6	Confident	86 Å²	86	59.5 Å²	59.5	45%	0.45	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-46.1	175.5	-179.3	64.1	0	0	0	111.6	L334 E335 L336 Y341 L342 I370	L334-L338 PolarHBondContact O-N 3.13Å; E335-L338 WeakPolarHBondContact O-CB 3.49Å; E335-L338 PolarHBondContact O-N 2.81Å; E335-L338 VanDerWaalsContact O-N 3.12Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 3.2Å; L338-Y341 PolarHBondContact O-N 3.12Å; L338-L342 HydrophobicContact CD1-CD1 4.13Å; L338-L342 HydrophobicContact CD1-CG 4.32Å; L338-L342 HydrophobicContact CG-CD1 4.02Å; L338-L342 WeakPolarHBondContact O-CB 3.38Å; L338-L342 WeakPolarHBondContact O-CG 3.48Å; L338-L342 PolarHBondContact O-N 3.35Å; L338-I370 HydrophobicContact CD2-CD1 4.26Å; L338-I370 HydrophobicContact CG-CD1 4.41Å
339	V	87.9	Confident	82.7	Confident	1 Å²	1	63 Å²	63	1%	0.006	33%	0.328	C	S	.	.	H	α-helix	trans	-59.3	-46.9	176.2	168.2	0	0	0	0	110.6	V281 E335 L336 Y341 L342 T343 A367 I370	V281-V339 HydrophobicContact CG1-CG1 4.2Å; E335-V339 WeakPolarHBondContact O-CG2 3.29Å; E335-V339 PolarHBondContact O-N 3.25Å; L336-V339 PolarHBondContact O-N 3.01Å; V339-Y341 PolarHBondContact O-N 2.93Å; V339-L342 PolarHBondContact O-N 2.93Å; V339-T343 WeakPolarHBondContact O-CB 3.48Å; V339-T343 PolarHBondContact O-N 3.4Å; V339-T343 PolarHBondContact O-OG1 2.84Å; V339-A367 HydrophobicContact CG1-CB 3.93Å; V339-I370 HydrophobicContact CG2-CB 4.07Å; V339-I370 HydrophobicContact CG2-CD1 4.46Å; V339-I370 HydrophobicContact CG2-CG2 4.03Å
340	G	86.5	Confident	80.5	Confident	27 Å²	27	71.3 Å²	71.3	28%	0.278	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-41.6	176.3	0	0	0	0	0	113.2	L336 R344	L336-G340 PolarHBondContact O-N 3.48Å; G340-R344 PolarHBondContact O-N 3Å; G340-R344 VanDerWaalsContact O-N 3.14Å
341	Y	85.8	Confident	78.4	Confident	142 Å²	142	73.3 Å²	73.3	56%	0.557	38%	0.379	S	S	*	.	H	α-helix	trans	-63.6	-46.5	175.8	178.7	-95.8	0	0	0	112	A337 L338 V339 R344 H345	A337-Y341 WeakPolarHBondContact O-CB 3.38Å; A337-Y341 PolarHBondContact O-N 2.87Å; L338-Y341 PolarHBondContact O-N 3.12Å; V339-Y341 PolarHBondContact O-N 2.93Å; Y341-R344 PolarHBondContact O-N 3.21Å; Y341-H345 WeakPolarHBondContact O-CB 3.3Å; Y341-H345 PolarHBondContact O-N 3.33Å
342	L	84.2	Confident	75.8	Confident	39 Å²	39	79.1 Å²	79.1	20%	0.204	40%	0.397	C	S	.	.	H	α-helix	trans	-68.2	-37.2	-179.4	-70.7	171.9	0	0	0	112.6	L338 V339 H345 N346 I370	L338-L342 HydrophobicContact CD1-CD1 4.13Å; L338-L342 HydrophobicContact CD1-CG 4.32Å; L338-L342 HydrophobicContact CG-CD1 4.02Å; L338-L342 WeakPolarHBondContact O-CB 3.38Å; L338-L342 WeakPolarHBondContact O-CG 3.48Å; L338-L342 PolarHBondContact O-N 3.35Å; V339-L342 PolarHBondContact O-N 2.93Å; L342-H345 PolarHBondContact O-N 3.12Å; L342-N346 VanDerWaalsContact O-CB 3.29Å; L342-N346 WeakPolarHBondContact O-CB 3.22Å; L342-N346 PolarHBondContact O-N 3.28Å; L342-N346 PolarHBondContact O-ND2 2.88Å; L342-I370 HydrophobicContact CD1-CD1 3.28Å
343	T	81.4	Confident	73.8	Confident	31 Å²	31	84.2 Å²	84.2	19%	0.19	43%	0.432	C	S	.	.	H	α-helix	trans	-61.5	-46.7	173.5	-62.5	0	0	0	0	110.6	V339 N346 V347 A367	V339-T343 WeakPolarHBondContact O-CB 3.48Å; V339-T343 PolarHBondContact O-N 3.4Å; V339-T343 PolarHBondContact O-OG1 2.84Å; T343-N346 PolarHBondContact O-N 2.97Å; T343-V347 WeakPolarHBondContact O-CG2 3.49Å; T343-V347 PolarHBondContact O-N 3.37Å; T343-A367 VanDerWaalsContact OG1-CB 3.25Å; T343-A367 WeakPolarHBondContact OG1-CB 3.39Å
344	R	78.5	Confident	71.6	Confident	183 Å²	183	89.9 Å²	89.9	69%	0.691	46%	0.462	S	S	*	.	H	α-helix	trans	-63	-43.9	176.9	-173.7	-179.9	178.3	-144.3	-0.4	112.5	G340 Y341 V347 N348	G340-R344 PolarHBondContact O-N 3Å; G340-R344 VanDerWaalsContact O-N 3.14Å; Y341-R344 PolarHBondContact O-N 3.21Å; R344-V347 PolarHBondContact O-N 3.5Å; R344-N348 PolarHBondContact O-N 2.96Å; R344-N348 VanDerWaalsContact O-N 3.12Å
345	H	74.6	Confident	69.6	Low	78 Å²	78	89.1 Å²	89.1	36%	0.361	46%	0.464	S	S	.	.	H	α-helix	trans	-68.1	-37.9	179.9	-165.6	-85.4	0	0	0	112.2	Y341 L342 N348 N349	Y341-H345 WeakPolarHBondContact O-CB 3.3Å; Y341-H345 PolarHBondContact O-N 3.33Å; L342-H345 PolarHBondContact O-N 3.12Å; H345-N348 PolarHBondContact O-N 3.4Å; H345-N349 PolarHBondContact CE1-ND2 2.94Å; H345-N349 WeakPolarHBondContact O-CB 3.45Å; H345-N349 PolarHBondContact O-N 3.08Å
346	N	67.1	Low	67.3	Low	39 Å²	39	93.4 Å²	93.4	21%	0.209	49%	0.493	C	S	.	.	H	α-helix	trans	-68	-35.5	174.2	-81.3	-31.9	0	0	0	112.7	L342 T343 N348 N349 K350	L342-N346 VanDerWaalsContact O-CB 3.29Å; L342-N346 WeakPolarHBondContact O-CB 3.22Å; L342-N346 PolarHBondContact O-N 3.28Å; L342-N346 PolarHBondContact O-ND2 2.88Å; T343-N346 PolarHBondContact O-N 2.97Å; N346-N348 VanDerWaalsContact C-N 3.29Å; N346-N349 PolarHBondContact O-N 3.41Å; N346-K350 WeakPolarHBondContact O-CB 3.41Å; N346-K350 VanDerWaalsContact O-CG 3.25Å; N346-K350 WeakPolarHBondContact O-CG 3.33Å; N346-K350 PolarHBondContact O-N 2.94Å
347	V	60.1	Low	65.4	Low	102 Å²	102	104.9 Å²	104.9	62%	0.618	54%	0.536	S	S	*	.	H	α-helix	trans	-61.6	-41.1	171.3	170.4	0	0	0	0	110.5	T343 R344	T343-V347 WeakPolarHBondContact O-CG2 3.49Å; T343-V347 PolarHBondContact O-N 3.37Å; R344-V347 PolarHBondContact O-N 3.5Å
348	N	57	Low	62.8	Low	103 Å²	103	109.5 Å²	109.5	55%	0.551	55%	0.545	S	S	*	.	H	α-helix	trans	-70.9	-33.1	177.2	-69.4	-6.3	0	0	0	113.5	R344 H345 N346	R344-N348 PolarHBondContact O-N 2.96Å; R344-N348 VanDerWaalsContact O-N 3.12Å; H345-N348 PolarHBondContact O-N 3.4Å; N346-N348 VanDerWaalsContact C-N 3.29Å
349	N	55.2	Low	60.7	Low	104 Å²	104	108 Å²	108	56%	0.556	54%	0.541	S	S	*	.	H	α-helix	trans	-92.6	-3	-179.1	-84.9	13.2	0	0	0	114.7	H345 N346 L351	H345-N349 PolarHBondContact CE1-ND2 2.94Å; H345-N349 WeakPolarHBondContact O-CB 3.45Å; H345-N349 PolarHBondContact O-N 3.08Å; N346-N349 PolarHBondContact O-N 3.41Å; N349-L351 PolarHBondContact O-N 3.45Å
350	K	48.4	Very low	58.2	Low	174 Å²	174	118.5 Å²	118.5	76%	0.757	58%	0.581	S	S	*	*			trans	-72.6	33.9	171.2	-87.6	-178.4	-177.1	-175.5	0	113.4	N346 K352	N346-K350 WeakPolarHBondContact O-CB 3.41Å; N346-K350 VanDerWaalsContact O-CG 3.25Å; N346-K350 WeakPolarHBondContact O-CG 3.33Å; N346-K350 PolarHBondContact O-N 2.94Å; K350-K352 PolarHBondContact O-N 2.97Å
351	L	48.8	Very low	55.9	Low	156 Å²	156	126 Å²	126	82%	0.817	61%	0.609	S	S	*	*	S	Bend	trans	-65.5	91.7	143.1	-82.9	155.2	0	0	0	107.2	N349	N349-L351 PolarHBondContact O-N 3.45Å
352	K	40.1	Very low	54	Low	181 Å²	181	122.3 Å²	122.3	79%	0.787	60%	0.602	S	S	*	*			trans	18.6	111.6	166.7	-77	179.4	171.4	-178.8	0	117.3	K350	K350-K352 PolarHBondContact O-N 2.97Å
353	C	49.5	Very low	52	Low	110 Å²	110	123.1 Å²	123.1	74%	0.743	62%	0.621	S	S	*	*			trans	-119.6	98.9	145.9	-76.9	0	0	0	0	107.9	C355	C353-C355 PolarHBondContact O-N 3.37Å
354	D	46.4	Very low	50.5	Low	151 Å²	151	125 Å²	125	81%	0.807	63%	0.632	S	S	*	*			trans	-73.6	100.4	164.3	-84.4	-36.9	0	0	0	107.4
355	C	50.7	Low	49.5	Very low	80 Å²	80	120.6 Å²	120.6	54%	0.541	62%	0.622	S	S	.	*			trans	-133.8	140.8	171.7	-78.3	0	0	0	0	110.5	C353 C359	C353-C355 PolarHBondContact O-N 3.37Å; C355-C359 HydrophobicContact CB-CB 4.46Å
356	P	42.6	Very low	49.3	Very low	104 Å²	104	119.7 Å²	119.7	68%	0.675	62%	0.622	S	S	*	*			trans	-68.8	159.3	179.9	-12.4	27.7	0	0	0	112.5	F358	P356-F358 PolarHBondContact O-N 3.28Å
357	W	48.6	Very low	49.8	Very low	249 Å²	249	118 Å²	118	94%	0.943	61%	0.614	S	S	*	*	S	Bend	trans	-36.1	-9.3	-173	67.3	-57.1	0	0	0	121.6
358	F	35.4	Very low	50.7	Low	159 Å²	159	121.2 Å²	121.2	70%	0.697	61%	0.614	S	S	*	*			trans	-141.2	66.3	-180	-147.4	-94.1	0	0	0	112.5	P356 W360	P356-F358 PolarHBondContact O-N 3.28Å; F358-W360 AromaticContact CE1-CE3 3.95Å; F358-W360 HydrophobicContact CE1-CE3 3.95Å; F358-W360 HydrophobicContact CE1-CZ3 4.07Å
359	C	45	Very low	51.9	Low	55 Å²	55	124 Å²	124	37%	0.372	62%	0.617	S	S	.	*			trans	-101.2	105.2	173.2	-173.6	0	0	0	0	110.7	C355 Q361 C362	C355-C359 HydrophobicContact CB-CB 4.46Å; C359-Q361 PolarHBondContact O-N 3.46Å; C359-C362 HydrophobicContact CB-CB 3.84Å; C359-C362 PolarHBondContact O-N 2.71Å; C359-C362 VanDerWaalsContact O-N 3.16Å; C359-C362 PolarHBondContact SG-N 2.68Å; C359-C362 VanDerWaalsContact SG-N 3.36Å
360	W	36.5	Very low	53.3	Low	222 Å²	222	119.8 Å²	119.8	84%	0.841	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-25.7	174.3	-143.8	-60.1	0	0	0	112.2	F358 C362	F358-W360 AromaticContact CE1-CE3 3.95Å; F358-W360 HydrophobicContact CE1-CE3 3.95Å; F358-W360 HydrophobicContact CE1-CZ3 4.07Å; W360-C362 VanDerWaalsContact C-N 3.34Å
361	Q	37.4	Very low	55.1	Low	185 Å²	185	112 Å²	112	86%	0.864	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-13.5	175.5	-131.9	92.1	-1.1	0	0	113.2	C359 G363	C359-Q361 PolarHBondContact O-N 3.46Å; Q361-G363 PolarHBondContact O-N 2.8Å
362	C	46.7	Very low	56.8	Low	63 Å²	63	106.4 Å²	106.4	43%	0.426	54%	0.541	S	S	.	.			trans	-92.1	39.1	169.2	-153.8	0	0	0	0	109.8	C359 W360 T364	C359-C362 HydrophobicContact CB-CB 3.84Å; C359-C362 PolarHBondContact O-N 2.71Å; C359-C362 VanDerWaalsContact O-N 3.16Å; C359-C362 PolarHBondContact SG-N 2.68Å; C359-C362 VanDerWaalsContact SG-N 3.36Å; W360-C362 VanDerWaalsContact C-N 3.34Å; C362-T364 PolarHBondContact O-N 3.07Å
363	G	41	Very low	59.2	Low	57 Å²	57	102.7 Å²	102.7	59%	0.588	53%	0.529	S	S	*	.			trans	-69	32.6	178.5	0	0	0	0	0	113.4	Q361 L365	Q361-G363 PolarHBondContact O-N 2.8Å; G363-L365 PolarHBondContact O-N 3.09Å
364	T	51.9	Low	61.1	Low	70 Å²	70	97.6 Å²	97.6	43%	0.429	50%	0.495	S	S	.	.			trans	-61.9	109.5	171.4	57.2	0	0	0	0	106.6	C362 T366	C362-T364 PolarHBondContact O-N 3.07Å; T364-T366 PolarHBondContact O-N 3.35Å; T364-T366 PolarHBondContact O-OG1 3.5Å
365	L	55.6	Low	63.2	Low	91 Å²	91	92.9 Å²	92.9	48%	0.476	47%	0.469	S	S	.	.			trans	-57.4	88	168.5	-166.2	74.3	0	0	0	107.2	G363 A367 I370	G363-L365 PolarHBondContact O-N 3.09Å; L365-A367 PolarHBondContact O-N 3.33Å; L365-I370 HydrophobicContact CD1-CG1 4.4Å; L365-I370 HydrophobicContact CD2-CD1 3.54Å; L365-I370 HydrophobicContact CD2-CG1 3.64Å; L365-I370 HydrophobicContact CG-CD1 3.89Å; L365-I370 HydrophobicContact CG-CG1 3.6Å
366	T	71.8	Confident	65.1	Low	59 Å²	59	93.5 Å²	93.5	36%	0.362	47%	0.47	S	S	.	.			trans	-62	138.6	-178.5	-51.5	0	0	0	0	107.9	T364 R368 R369 I370	T364-T366 PolarHBondContact O-N 3.35Å; T364-T366 PolarHBondContact O-OG1 3.5Å; T366-R368 HydrophobicContact CG2-CB 4.45Å; T366-R368 PolarHBondContact O-N 2.81Å; T366-R369 WeakPolarHBondContact O-CA 3.45Å; T366-R369 WeakPolarHBondContact O-CB 3.49Å; T366-R369 PolarHBondContact O-N 3.36Å; T366-I370 PolarHBondContact O-N 3.16Å
367	A	77.6	Confident	67.5	Low	4 Å²	4	92.6 Å²	92.6	3%	0.033	46%	0.458	C	S	.	.	H	α-helix	trans	-39.2	-46.2	174	0	0	0	0	0	113.2	V281 V339 T343 L365 R369 I370 D371	V281-A367 HydrophobicContact CB-CB 4.49Å; V281-A367 HydrophobicContact CG1-CB 3.99Å; V339-A367 HydrophobicContact CG1-CB 3.93Å; T343-A367 VanDerWaalsContact OG1-CB 3.25Å; T343-A367 WeakPolarHBondContact OG1-CB 3.39Å; L365-A367 PolarHBondContact O-N 3.33Å; A367-R369 VanDerWaalsContact C-N 3.35Å; A367-R369 PolarHBondContact O-N 2.98Å; A367-I370 WeakPolarHBondContact O-CB 3.33Å; A367-I370 PolarHBondContact O-N 2.73Å; A367-I370 VanDerWaalsContact O-N 3.14Å; A367-D371 PolarHBondContact O-N 3.34Å; A367-D371 VanDerWaalsContact O-N 3.13Å
368	R	78.4	Confident	69.6	Low	168 Å²	168	81.2 Å²	81.2	63%	0.634	42%	0.415	S	S	*	.	H	α-helix	trans	-61.7	-31.9	176.3	-66.8	-176	-173.3	166.3	0.9	115.3	V281 T366 G372	V281-R368 HydrophobicContact CG1-CG 4.13Å; V281-R368 HydrophobicContact CG2-CG 4.47Å; T366-R368 HydrophobicContact CG2-CB 4.45Å; T366-R368 PolarHBondContact O-N 2.81Å; R368-G372 PolarHBondContact O-N 3.02Å
369	R	82.1	Confident	72.3	Confident	162 Å²	162	75.4 Å²	75.4	61%	0.611	39%	0.393	S	S	*	.	H	α-helix	trans	-70.9	-35.9	175.6	-75.7	-172.4	175.8	-178.4	0.3	111.1	T366 A367 G372 I373	T366-R369 WeakPolarHBondContact O-CA 3.45Å; T366-R369 WeakPolarHBondContact O-CB 3.49Å; T366-R369 PolarHBondContact O-N 3.36Å; A367-R369 VanDerWaalsContact C-N 3.35Å; A367-R369 PolarHBondContact O-N 2.98Å; R369-G372 PolarHBondContact O-N 3.13Å; R369-I373 VanDerWaalsContact O-CG1 3.3Å; R369-I373 WeakPolarHBondContact O-CG1 3.49Å; R369-I373 PolarHBondContact O-N 3.34Å
370	I	84.9	Confident	74.6	Confident	16 Å²	16	75.6 Å²	75.6	8%	0.082	40%	0.395	C	S	.	.	H	α-helix	trans	-64.9	-52.6	176	-54.5	-178.5	0	0	0	109	E335 L338 V339 L342 L365 T366 A367 G372 I373 S374	E335-I370 HydrophobicContact CG-CG2 3.99Å; E335-I370 WeakPolarHBondContact OE1-CG2 3.41Å; L338-I370 HydrophobicContact CD2-CD1 4.26Å; L338-I370 HydrophobicContact CG-CD1 4.41Å; V339-I370 HydrophobicContact CG2-CB 4.07Å; V339-I370 HydrophobicContact CG2-CD1 4.46Å; V339-I370 HydrophobicContact CG2-CG2 4.03Å; L342-I370 HydrophobicContact CD1-CD1 3.28Å; L365-I370 HydrophobicContact CD1-CG1 4.4Å; L365-I370 HydrophobicContact CD2-CD1 3.54Å; L365-I370 HydrophobicContact CD2-CG1 3.64Å; L365-I370 HydrophobicContact CG-CD1 3.89Å; L365-I370 HydrophobicContact CG-CG1 3.6Å; T366-I370 PolarHBondContact O-N 3.16Å; A367-I370 WeakPolarHBondContact O-CB 3.33Å; A367-I370 PolarHBondContact O-N 2.73Å; A367-I370 VanDerWaalsContact O-N 3.14Å; I370-G372 VanDerWaalsContact C-N 3.26Å; I370-G372 PolarHBondContact O-N 2.76Å; I370-I373 PolarHBondContact O-N 3.34Å; I370-S374 WeakPolarHBondContact O-CB 3.42Å; I370-S374 PolarHBondContact O-N 3.36Å; I370-S374 PolarHBondContact O-OG 3.03Å
371	D	85.7	Confident	77.3	Confident	10 Å²	10	68.1 Å²	68.1	5%	0.053	37%	0.374	C	S	.	.	H	α-helix	trans	-53.4	-45.3	176	-73.4	-23.8	0	0	0	111.2	V281 R287 A367 I373 S374 I375	V281-D371 WeakPolarHBondContact CG1-OD2 3.41Å; R287-D371 IonicContact CZ-OD1 3.86Å; R287-D371 IonicContact CZ-OD2 3.79Å; R287-D371 IonicContact NH1-OD1 3.23Å; R287-D371 PolarHBondContact NH1-OD1 3.24Å; R287-D371 IonicContact NH1-OD2 3.68Å; R287-D371 PolarHBondContact NH1-OD2 3.33Å; R287-D371 IonicContact NH2-OD1 3.92Å; R287-D371 PolarHBondContact NH2-OD1 2.9Å; R287-D371 IonicContact NH2-OD2 2.77Å; A367-D371 PolarHBondContact O-N 3.34Å; A367-D371 VanDerWaalsContact O-N 3.13Å; D371-I373 VanDerWaalsContact C-N 3.33Å; D371-I373 PolarHBondContact O-N 3.46Å; D371-S374 PolarHBondContact O-N 3.07Å; D371-I375 VanDerWaalsContact O-CG1 3.22Å; D371-I375 WeakPolarHBondContact O-CG1 3.36Å; D371-I375 PolarHBondContact O-N 3.01Å
372	G	86	Confident	80.1	Confident	39 Å²	39	59.8 Å²	59.8	40%	0.402	34%	0.335	S	S	.	.	H	α-helix	trans	-60.5	-36.9	177.7	0	0	0	0	0	114.4	R368 R369 I370	R368-G372 PolarHBondContact O-N 3.02Å; R369-G372 PolarHBondContact O-N 3.13Å; I370-G372 VanDerWaalsContact C-N 3.26Å; I370-G372 PolarHBondContact O-N 2.76Å
373	I	89.2	Confident	82.3	Confident	102 Å²	102	61.8 Å²	61.8	52%	0.523	34%	0.341	S	S	.	.	H	α-helix	trans	-73.7	-44.1	174	-66.2	165.2	0	0	0	110	R369 I370 D371 I375 V376 M377	R369-I373 VanDerWaalsContact O-CG1 3.3Å; R369-I373 WeakPolarHBondContact O-CG1 3.49Å; R369-I373 PolarHBondContact O-N 3.34Å; I370-I373 PolarHBondContact O-N 3.34Å; D371-I373 VanDerWaalsContact C-N 3.33Å; D371-I373 PolarHBondContact O-N 3.46Å; I373-I375 VanDerWaalsContact C-N 3.3Å; I373-I375 PolarHBondContact O-N 3.14Å; I373-V376 PolarHBondContact O-N 3.06Å; I373-V376 VanDerWaalsContact O-N 3.12Å; I373-M377 HydrophobicContact CG2-CB 4.36Å; I373-M377 VanDerWaalsContact O-CB 3.27Å; I373-M377 WeakPolarHBondContact O-CB 3.21Å; I373-M377 PolarHBondContact O-N 3.15Å
374	S	90.2	Very high	84.9	Confident	4 Å²	4	64.5 Å²	64.5	3%	0.028	34%	0.341	C	S	.	.	H	α-helix	trans	-58.1	-39.9	-179.3	-62.8	0	0	0	0	112.1	E335 I370 D371 V376 M377 F378	E335-S374 WeakPolarHBondContact CG-OG 3.27Å; E335-S374 PolarHBondContact OE1-OG 3.4Å; I370-S374 WeakPolarHBondContact O-CB 3.42Å; I370-S374 PolarHBondContact O-N 3.36Å; I370-S374 PolarHBondContact O-OG 3.03Å; D371-S374 PolarHBondContact O-N 3.07Å; S374-V376 PolarHBondContact O-N 3.18Å; S374-M377 PolarHBondContact O-N 3.46Å; S374-F378 WeakPolarHBondContact O-CD2 3.48Å; S374-F378 PolarHBondContact O-N 3.18Å
375	I	90.1	Very high	86.9	Confident	51 Å²	51	62.6 Å²	62.6	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-56.3	-33.7	177.1	-73.2	164.2	0	0	0	112.5	F277 F278 D371 I373 P379	F277-I375 HydrophobicContact CB-CD1 4.46Å; F277-I375 HydrophobicContact CB-CG1 3.68Å; F278-I375 HydrophobicContact CD1-CD1 4.29Å; F278-I375 HydrophobicContact CE1-CD1 4.21Å; F278-I375 HydrophobicContact CE1-CG1 4.47Å; F278-I375 HydrophobicContact CE1-CG2 4.11Å; F278-I375 HydrophobicContact CZ-CG1 4.37Å; F278-I375 HydrophobicContact CZ-CG2 3.78Å; D371-I375 VanDerWaalsContact O-CG1 3.22Å; D371-I375 WeakPolarHBondContact O-CG1 3.36Å; D371-I375 PolarHBondContact O-N 3.01Å; I373-I375 VanDerWaalsContact C-N 3.3Å; I373-I375 PolarHBondContact O-N 3.14Å; I375-P379 WeakPolarHBondContact O-CD 3.39Å; I375-P379 WeakPolarHBondContact O-CG 3.31Å
376	V	91.1	Very high	88.7	Confident	93 Å²	93	59.1 Å²	59.1	56%	0.564	31%	0.309	S	S	*	.	H	α-helix	trans	-95.7	-40.1	179.4	-178.3	0	0	0	0	111.1	I373 S374 S380	I373-V376 PolarHBondContact O-N 3.06Å; I373-V376 VanDerWaalsContact O-N 3.12Å; S374-V376 PolarHBondContact O-N 3.18Å; V376-S380 VanDerWaalsContact O-CB 3.28Å; V376-S380 WeakPolarHBondContact O-CB 3.44Å; V376-S380 PolarHBondContact O-N 3.34Å; V376-S380 PolarHBondContact O-OG 3.35Å
377	M	91.8	Very high	89.8	Confident	85 Å²	85	61.6 Å²	61.6	42%	0.419	32%	0.318	S	S	.	.	H	α-helix	trans	-67.2	-51	-173.3	-176.3	-86.6	-74.1	0	0	112.1	I373 S374 S380 V381	I373-M377 HydrophobicContact CG2-CB 4.36Å; I373-M377 VanDerWaalsContact O-CB 3.27Å; I373-M377 WeakPolarHBondContact O-CB 3.21Å; I373-M377 PolarHBondContact O-N 3.15Å; S374-M377 PolarHBondContact O-N 3.46Å; M377-S380 PolarHBondContact O-N 3.39Å; M377-V381 HydrophobicContact CG-CG2 4.37Å; M377-V381 WeakPolarHBondContact O-CG2 3.49Å; M377-V381 PolarHBondContact O-N 3.46Å; M377-V381 HydrophobicContact SD-CG2 4.02Å
378	F	92.8	Very high	90.5	Very high	11 Å²	11	69.1 Å²	69.1	5%	0.048	35%	0.347	C	S	.	.	H	α-helix	trans	-61.3	-48.8	-176.7	-83.6	-100.1	0	0	0	112.5	F277 F328 C331 E335 S374 S380 V381 F382	F277-F378 HydrophobicContact CE2-CB 4Å; F277-F378 HydrophobicContact CE2-CD1 4.49Å; F277-F378 HydrophobicContact CE2-CD2 4.08Å; F277-F378 AromaticContact CE2-CG 3.96Å; F277-F378 HydrophobicContact CE2-CG 3.96Å; F277-F378 HydrophobicContact CZ-CB 4.46Å; F277-F378 HydrophobicContact CZ-CD1 4.19Å; F277-F378 AromaticContact CZ-CD2 3.82Å; F277-F378 HydrophobicContact CZ-CD2 3.82Å; F277-F378 HydrophobicContact CZ-CE1 4.36Å; F277-F378 HydrophobicContact CZ-CE2 4Å; F277-F378 AromaticContact CZ-CG 3.92Å; F277-F378 HydrophobicContact CZ-CG 3.92Å; F277-F378 HydrophobicContact CZ-CZ 4.27Å; F328-F378 HydrophobicContact CD1-CD1 4.47Å; C331-F378 HydrophobicContact CB-CE1 3.8Å; C331-F378 HydrophobicContact CB-CZ 4.12Å; E335-F378 HydrophobicContact CB-CE2 4.5Å; E335-F378 HydrophobicContact CB-CZ 4.38Å; E335-F378 HydrophobicContact CG-CE2 4.48Å; S374-F378 WeakPolarHBondContact O-CD2 3.48Å; S374-F378 PolarHBondContact O-N 3.18Å; F378-S380 VanDerWaalsContact C-N 3.34Å; F378-S380 PolarHBondContact O-N 2.91Å; F378-V381 PolarHBondContact O-N 3.14Å; F378-F382 WeakPolarHBondContact O-CB 3.22Å; F378-F382 PolarHBondContact O-N 2.99Å
379	P	92.9	Very high	91.2	Very high	37 Å²	37	61.2 Å²	61.2	24%	0.24	32%	0.318	C	S	.	.	H	α-helix	trans	-63.2	-37.6	176.3	-25	36.4	0	0	0	113.9	W274 I375 F382 L383	W274-P379 HydrophobicContact CD2-CG 4.04Å; W274-P379 HydrophobicContact CE3-CB 4.14Å; W274-P379 HydrophobicContact CE3-CG 3.67Å; W274-P379 VanDerWaalsContact CH2-CA 3.42Å; W274-P379 HydrophobicContact CH2-CB 3.72Å; W274-P379 HydrophobicContact CH2-CG 4.02Å; W274-P379 HydrophobicContact CZ2-CB 4.37Å; W274-P379 HydrophobicContact CZ2-CG 4.35Å; W274-P379 HydrophobicContact CZ3-CB 3.57Å; W274-P379 HydrophobicContact CZ3-CG 3.64Å; I375-P379 WeakPolarHBondContact O-CD 3.39Å; I375-P379 WeakPolarHBondContact O-CG 3.31Å; P379-F382 PolarHBondContact O-N 3.38Å; P379-L383 VanDerWaalsContact O-CB 3.32Å; P379-L383 WeakPolarHBondContact O-CB 3.37Å; P379-L383 PolarHBondContact O-N 2.77Å
380	S	93	Very high	91.7	Very high	59 Å²	59	56.1 Å²	56.1	41%	0.413	30%	0.298	S	S	.	.	H	α-helix	trans	-65.1	-46	179	-59.6	0	0	0	0	111.6	V376 M377 F378 L383 L384	V376-S380 VanDerWaalsContact O-CB 3.28Å; V376-S380 WeakPolarHBondContact O-CB 3.44Å; V376-S380 PolarHBondContact O-N 3.34Å; V376-S380 PolarHBondContact O-OG 3.35Å; M377-S380 PolarHBondContact O-N 3.39Å; F378-S380 VanDerWaalsContact C-N 3.34Å; F378-S380 PolarHBondContact O-N 2.91Å; S380-L383 PolarHBondContact O-N 3.46Å; S380-L384 WeakPolarHBondContact O-CG 3.45Å; S380-L384 PolarHBondContact O-N 3Å
381	V	94.3	Very high	92	Very high	65 Å²	65	57.8 Å²	57.8	39%	0.394	32%	0.319	S	S	.	.	H	α-helix	trans	-66.6	-40	177.9	178.9	0	0	0	0	110.7	F328 M377 F378 L383 L384 F385	F328-V381 HydrophobicContact CE1-CB 4.18Å; F328-V381 HydrophobicContact CE1-CG1 3.72Å; F328-V381 HydrophobicContact CZ-CG1 3.86Å; M377-V381 HydrophobicContact CG-CG2 4.37Å; M377-V381 WeakPolarHBondContact O-CG2 3.49Å; M377-V381 PolarHBondContact O-N 3.46Å; M377-V381 HydrophobicContact SD-CG2 4.02Å; F378-V381 PolarHBondContact O-N 3.14Å; V381-L383 PolarHBondContact O-N 3.32Å; V381-L384 PolarHBondContact O-N 3.5Å; V381-F385 PolarHBondContact O-N 3.3Å
382	F	94.6	Very high	92.1	Very high	10 Å²	10	63.1 Å²	63.1	4%	0.044	34%	0.342	C	S	.	.	H	α-helix	trans	-63.8	-40.3	175.4	-173.7	-108.4	0	0	0	111.9	Y267 V270 W274 W321 F328 F378 P379 F385 N386	Y267-F382 AromaticContact CD1-CE1 3.72Å; Y267-F382 HydrophobicContact CD1-CE1 3.72Å; Y267-F382 AromaticContact CD1-CZ 3.81Å; Y267-F382 HydrophobicContact CD1-CZ 3.81Å; Y267-F382 AromaticContact CE1-CE1 3.72Å; Y267-F382 HydrophobicContact CE1-CE1 3.72Å; Y267-F382 AromaticContact CE1-CZ 3.83Å; Y267-F382 HydrophobicContact CE1-CZ 3.83Å; V270-F382 HydrophobicContact CB-CZ 4.37Å; V270-F382 HydrophobicContact CG1-CD1 4.47Å; V270-F382 HydrophobicContact CG1-CD2 4.22Å; V270-F382 HydrophobicContact CG1-CE1 4.22Å; V270-F382 HydrophobicContact CG1-CE2 3.99Å; V270-F382 HydrophobicContact CG1-CG 4.45Å; V270-F382 HydrophobicContact CG1-CZ 3.98Å; V270-F382 HydrophobicContact CG2-CE2 4.4Å; V270-F382 HydrophobicContact CG2-CZ 4.45Å; W274-F382 HydrophobicContact CH2-CB 3.89Å; W274-F382 AromaticContact CH2-CD1 3.61Å; W274-F382 HydrophobicContact CH2-CD1 3.61Å; W274-F382 HydrophobicContact CH2-CE1 4.45Å; W274-F382 AromaticContact CH2-CG 4Å; W274-F382 HydrophobicContact CH2-CG 4Å; W274-F382 HydrophobicContact CZ2-CB 3.63Å; W274-F382 AromaticContact CZ2-CD1 3.85Å; W274-F382 HydrophobicContact CZ2-CD1 3.85Å; W274-F382 AromaticContact CZ2-CG 3.8Å; W274-F382 HydrophobicContact CZ2-CG 3.8Å; W321-F382 HydrophobicContact CH2-CE2 4.38Å; W321-F382 AromaticContact CH2-CZ 3.91Å; W321-F382 HydrophobicContact CH2-CZ 3.91Å; W321-F382 HydrophobicContact CZ2-CZ 4.43Å; F328-F382 AromaticContact CD2-CD2 3.76Å; F328-F382 HydrophobicContact CD2-CD2 3.76Å; F328-F382 HydrophobicContact CD2-CE2 4.32Å; F328-F382 HydrophobicContact CE1-CB 4.37Å; F328-F382 AromaticContact CE2-CD2 3.77Å; F328-F382 HydrophobicContact CE2-CD2 3.77Å; F328-F382 HydrophobicContact CG-CD2 4.27Å; F328-F382 HydrophobicContact CZ-CB 4.35Å; F328-F382 HydrophobicContact CZ-CD2 4.25Å; F378-F382 WeakPolarHBondContact O-CB 3.22Å; F378-F382 PolarHBondContact O-N 2.99Å; P379-F382 PolarHBondContact O-N 3.38Å; F382-F385 HydrophobicContact CD2-CD1 4.21Å; F382-F385 HydrophobicContact CE2-CD1 4.19Å; F382-F385 WeakPolarHBondContact O-CB 3.43Å; F382-F385 PolarHBondContact O-N 2.92Å; F382-N386 WeakPolarHBondContact CD1-ND2 3.25Å; F382-N386 WeakPolarHBondContact CE1-ND2 3.48Å; F382-N386 WeakPolarHBondContact CZ-ND2 3.46Å; F382-N386 PolarHBondContact O-N 3.04Å; F382-N386 PolarHBondContact O-ND2 3.42Å
383	L	93.8	Very high	92	Very high	105 Å²	105	62.9 Å²	62.9	55%	0.55	33%	0.33	S	S	.	.	H	α-helix	trans	-62.9	-42.8	175.4	-177	147.2	0	0	0	111.8	P379 S380 V381 N386 I387	P379-L383 VanDerWaalsContact O-CB 3.32Å; P379-L383 WeakPolarHBondContact O-CB 3.37Å; P379-L383 PolarHBondContact O-N 2.77Å; S380-L383 PolarHBondContact O-N 3.46Å; V381-L383 PolarHBondContact O-N 3.32Å; L383-N386 WeakPolarHBondContact O-CB 3.33Å; L383-N386 PolarHBondContact O-N 2.86Å; L383-I387 HydrophobicContact CD2-CD1 3.56Å; L383-I387 HydrophobicContact CD2-CG1 4.37Å; L383-I387 WeakPolarHBondContact O-CG1 3.43Å; L383-I387 PolarHBondContact O-N 2.76Å
384	L	94.7	Very high	91.5	Very high	113 Å²	113	63 Å²	63	59%	0.592	33%	0.331	S	S	*	.	H	α-helix	trans	-61.9	-43.2	174	-71	175	0	0	0	112	S380 V381 N386 I387 Y388	S380-L384 WeakPolarHBondContact O-CG 3.45Å; S380-L384 PolarHBondContact O-N 3Å; V381-L384 PolarHBondContact O-N 3.5Å; L384-N386 VanDerWaalsContact C-N 3.29Å; L384-N386 PolarHBondContact O-N 3.4Å; L384-I387 PolarHBondContact O-N 3.09Å; L384-Y388 WeakPolarHBondContact O-CB 3.47Å; L384-Y388 PolarHBondContact O-N 2.87Å
385	F	94.6	Very high	90	Very high	30 Å²	30	68.2 Å²	68.2	13%	0.132	39%	0.386	C	S	.	.	H	α-helix	trans	-57.9	-42.8	173.4	166.3	-107	0	0	0	111.5	W321 C324 F328 V381 F382 Y388 Y389	W321-F385 AromaticContact CE3-CE1 3.61Å; W321-F385 HydrophobicContact CE3-CE1 3.61Å; W321-F385 AromaticContact CE3-CZ 3.97Å; W321-F385 HydrophobicContact CE3-CZ 3.97Å; W321-F385 HydrophobicContact CH2-CE1 4.37Å; W321-F385 HydrophobicContact CZ3-CD1 4.2Å; W321-F385 AromaticContact CZ3-CE1 3.47Å; W321-F385 HydrophobicContact CZ3-CE1 3.47Å; W321-F385 VanDerWaalsContact CZ3-CE1 3.47Å; W321-F385 HydrophobicContact CZ3-CZ 4.26Å; C324-F385 HydrophobicContact CB-CD2 4.4Å; C324-F385 HydrophobicContact CB-CE1 3.89Å; C324-F385 HydrophobicContact CB-CE2 3.62Å; C324-F385 HydrophobicContact CB-CZ 3.32Å; C324-F385 VanDerWaalsContact SG-CE2 3.52Å; F328-F385 HydrophobicContact CE2-CB 4.18Å; F328-F385 HydrophobicContact CE2-CD1 4.07Å; F328-F385 HydrophobicContact CE2-CG 4.09Å; F328-F385 HydrophobicContact CZ-CB 4.19Å; V381-F385 PolarHBondContact O-N 3.3Å; F382-F385 HydrophobicContact CD2-CD1 4.21Å; F382-F385 HydrophobicContact CE2-CD1 4.19Å; F382-F385 WeakPolarHBondContact O-CB 3.43Å; F382-F385 PolarHBondContact O-N 2.92Å; F385-Y388 PolarHBondContact O-N 2.89Å; F385-Y389 HydrophobicContact CE2-CD2 4.33Å; F385-Y389 HydrophobicContact CZ-CD2 4Å; F385-Y389 HydrophobicContact CZ-CG 4.33Å; F385-Y389 WeakPolarHBondContact O-CB 3.12Å; F385-Y389 PolarHBondContact O-N 3.12Å
386	N	93.9	Very high	90	Very high	18 Å²	18	69.1 Å²	69.1	10%	0.096	39%	0.392	C	S	.	.	H	α-helix	trans	-62.7	-46.1	177.5	-84.9	-80.1	0	0	0	112.8	Y267 W321 F382 L383 L384 Y388 Y389 W390	Y267-N386 WeakPolarHBondContact CE1-OD1 3.33Å; Y267-N386 PolarHBondContact OH-OD1 3.43Å; W321-N386 WeakPolarHBondContact CH2-OD1 3.31Å; W321-N386 VanDerWaalsContact CZ3-OD1 3.29Å; W321-N386 WeakPolarHBondContact CZ3-OD1 3.39Å; F382-N386 WeakPolarHBondContact CD1-ND2 3.25Å; F382-N386 WeakPolarHBondContact CE1-ND2 3.48Å; F382-N386 WeakPolarHBondContact CZ-ND2 3.46Å; F382-N386 PolarHBondContact O-N 3.04Å; F382-N386 PolarHBondContact O-ND2 3.42Å; L383-N386 WeakPolarHBondContact O-CB 3.33Å; L383-N386 PolarHBondContact O-N 2.86Å; L384-N386 VanDerWaalsContact C-N 3.29Å; L384-N386 PolarHBondContact O-N 3.4Å; N386-Y388 VanDerWaalsContact C-N 3.29Å; N386-Y388 PolarHBondContact O-N 3.38Å; N386-Y389 PolarHBondContact O-N 3.46Å; N386-W390 WeakPolarHBondContact O-CB 3.29Å; N386-W390 PolarHBondContact O-N 2.87Å
387	I	93.4	Very high	90	Very high	111 Å²	111	67.8 Å²	67.8	57%	0.569	38%	0.383	S	S	*	.	H	α-helix	trans	-59.2	-45.7	176.6	-68	170.9	0	0	0	110	L383 L384 G391	L383-I387 HydrophobicContact CD2-CD1 3.56Å; L383-I387 HydrophobicContact CD2-CG1 4.37Å; L383-I387 WeakPolarHBondContact O-CG1 3.43Å; L383-I387 PolarHBondContact O-N 2.76Å; L384-I387 PolarHBondContact O-N 3.09Å; I387-G391 WeakPolarHBondContact O-CA 3.25Å; I387-G391 PolarHBondContact O-N 3Å
388	Y	93.1	Very high	89.9	Confident	162 Å²	162	66.9 Å²	66.9	64%	0.635	38%	0.381	S	S	*	.	H	α-helix	trans	-64.6	-48.2	178.4	178.8	-100.2	0	0	0	112.2	L384 F385 N386 G391 F392	L384-Y388 WeakPolarHBondContact O-CB 3.47Å; L384-Y388 PolarHBondContact O-N 2.87Å; F385-Y388 PolarHBondContact O-N 2.89Å; N386-Y388 VanDerWaalsContact C-N 3.29Å; N386-Y388 PolarHBondContact O-N 3.38Å; Y388-G391 PolarHBondContact O-N 3.27Å; Y388-F392 VanDerWaalsContact O-CB 3.26Å; Y388-F392 WeakPolarHBondContact O-CB 3.36Å; Y388-F392 PolarHBondContact O-N 3.26Å
389	Y	93.7	Very high	89.7	Confident	3 Å²	3	70.2 Å²	70.2	1%	0.012	40%	0.401	C	S	.	.	H	α-helix	trans	-59.9	-54.9	-178.6	179.6	-89.3	0	0	0	111.3	Y263 A317 W321 F385 N386 F392 F393	Y263-Y389 AromaticContact CE1-CE1 3.65Å; Y263-Y389 HydrophobicContact CE1-CE1 3.65Å; Y263-Y389 PolarHBondContact OH-OH 3.39Å; A317-Y389 WeakPolarHBondContact O-CE2 3.4Å; A317-Y389 PolarHBondContact O-OH 3.42Å; W321-Y389 HydrophobicContact CB-CE2 3.75Å; W321-Y389 AromaticContact CE3-CD1 3.85Å; W321-Y389 HydrophobicContact CE3-CD1 3.85Å; W321-Y389 HydrophobicContact CE3-CD2 4.19Å; W321-Y389 AromaticContact CE3-CE1 3.97Å; W321-Y389 HydrophobicContact CE3-CE1 3.97Å; W321-Y389 HydrophobicContact CE3-CE2 4.29Å; W321-Y389 AromaticContact CE3-CG 3.98Å; W321-Y389 HydrophobicContact CE3-CG 3.98Å; W321-Y389 HydrophobicContact CZ3-CD1 4.29Å; W321-Y389 HydrophobicContact CZ3-CG 4.46Å; F385-Y389 HydrophobicContact CE2-CD2 4.33Å; F385-Y389 HydrophobicContact CZ-CD2 4Å; F385-Y389 HydrophobicContact CZ-CG 4.33Å; F385-Y389 WeakPolarHBondContact O-CB 3.12Å; F385-Y389 PolarHBondContact O-N 3.12Å; N386-Y389 PolarHBondContact O-N 3.46Å; Y389-F392 PolarHBondContact O-N 3.04Å; Y389-F393 HydrophobicContact CD1-CD2 4.24Å; Y389-F393 AromaticContact CD2-CD2 3.6Å; Y389-F393 HydrophobicContact CD2-CD2 3.6Å; Y389-F393 AromaticContact CD2-CE2 3.56Å; Y389-F393 HydrophobicContact CD2-CE2 3.56Å; Y389-F393 HydrophobicContact CE1-CD2 4.07Å; Y389-F393 AromaticContact CE2-CD2 3.41Å; Y389-F393 HydrophobicContact CE2-CD2 3.41Å; Y389-F393 VanDerWaalsContact CE2-CD2 3.41Å; Y389-F393 AromaticContact CE2-CE2 3.32Å; Y389-F393 HydrophobicContact CE2-CE2 3.32Å; Y389-F393 HydrophobicContact CE2-CZ 4.42Å; Y389-F393 HydrophobicContact CG-CD2 4.01Å; Y389-F393 HydrophobicContact CG-CE2 4.39Å; Y389-F393 AromaticContact CZ-CD2 3.65Å; Y389-F393 AromaticContact CZ-CE2 3.99Å; Y389-F393 VanDerWaalsContact O-CD2 3.26Å; Y389-F393 WeakPolarHBondContact O-CD2 3.33Å; Y389-F393 PolarHBondContact O-N 3.26Å
390	W	91.6	Very high	89.5	Confident	55 Å²	55	72.3 Å²	72.3	21%	0.208	41%	0.411	C	S	.	.	H	α-helix	trans	-68.6	-37	-179.2	-70.3	113.5	0	0	0	111.7	I183 I259 Y263 Y267 N386 F392 L394	I183-W390 HydrophobicContact CD1-CZ3 4.21Å; I259-W390 HydrophobicContact CD1-CH2 3.72Å; I259-W390 HydrophobicContact CD1-CZ3 4.36Å; Y263-W390 AromaticContact CD1-CH2 3.68Å; Y263-W390 HydrophobicContact CD1-CH2 3.68Å; Y263-W390 AromaticContact CD1-CZ2 3.5Å; Y263-W390 HydrophobicContact CD1-CZ2 3.5Å; Y263-W390 VanDerWaalsContact CD1-CZ2 3.5Å; Y263-W390 AromaticContact CE1-CH2 3.46Å; Y263-W390 HydrophobicContact CE1-CH2 3.46Å; Y263-W390 VanDerWaalsContact CE1-CH2 3.46Å; Y263-W390 AromaticContact CE1-CZ2 3.57Å; Y263-W390 HydrophobicContact CE1-CZ2 3.57Å; Y263-W390 HydrophobicContact CE1-CZ3 4.39Å; Y263-W390 HydrophobicContact CG-CH2 4.3Å; Y263-W390 HydrophobicContact CG-CZ2 4.35Å; Y263-W390 AromaticContact CZ-CH2 3.96Å; Y267-W390 PolarHBondContact OH-NE1 2.93Å; N386-W390 WeakPolarHBondContact O-CB 3.29Å; N386-W390 PolarHBondContact O-N 2.87Å; W390-F392 VanDerWaalsContact C-N 3.32Å; W390-F392 PolarHBondContact O-N 3.17Å; W390-L394 HydrophobicContact CB-CD1 4.21Å; W390-L394 HydrophobicContact CD2-CD1 4.28Å; W390-L394 HydrophobicContact CE3-CD1 3.51Å; W390-L394 HydrophobicContact CE3-CG 3.91Å; W390-L394 HydrophobicContact CZ3-CD1 4.26Å; W390-L394 HydrophobicContact CZ3-CG 4.47Å; W390-L394 VanDerWaalsContact O-CB 3.23Å; W390-L394 WeakPolarHBondContact O-CB 3.39Å; W390-L394 PolarHBondContact O-N 3.06Å
391	G	90.9	Very high	89.3	Confident	51 Å²	51	73.1 Å²	73.1	53%	0.526	41%	0.411	S	S	.	.	H	α-helix	trans	-63.1	-35.3	175.2	0	0	0	0	0	113.6	I387 Y388 G395	I387-G391 WeakPolarHBondContact O-CA 3.25Å; I387-G391 PolarHBondContact O-N 3Å; Y388-G391 PolarHBondContact O-N 3.27Å; G391-G395 PolarHBondContact O-N 3.44Å
392	F	89	Confident	88.9	Confident	121 Å²	121	73.7 Å²	73.7	53%	0.531	41%	0.412	S	S	.	.	H	α-helix	trans	-81.5	-34.7	179.5	-177.1	-95.9	0	0	0	113.6	Y388 Y389 W390	Y388-F392 VanDerWaalsContact O-CB 3.26Å; Y388-F392 WeakPolarHBondContact O-CB 3.36Å; Y388-F392 PolarHBondContact O-N 3.26Å; Y389-F392 PolarHBondContact O-N 3.04Å; W390-F392 VanDerWaalsContact C-N 3.32Å; W390-F392 PolarHBondContact O-N 3.17Å
393	F	84.2	Confident	88.5	Confident	35 Å²	35	78.6 Å²	78.6	15%	0.154	44%	0.44	C	S	.	.	H	α-helix	trans	-97.1	-19.7	-175.1	-72.3	-66	0	0	0	114.8	A317 Y389	A317-F393 HydrophobicContact CB-CD1 3.42Å; A317-F393 VanDerWaalsContact CB-CD1 3.42Å; A317-F393 HydrophobicContact CB-CD2 3.98Å; A317-F393 HydrophobicContact CB-CE1 3.31Å; A317-F393 HydrophobicContact CB-CE2 3.9Å; A317-F393 HydrophobicContact CB-CG 3.77Å; A317-F393 HydrophobicContact CB-CZ 3.57Å; Y389-F393 HydrophobicContact CD1-CD2 4.24Å; Y389-F393 AromaticContact CD2-CD2 3.6Å; Y389-F393 HydrophobicContact CD2-CD2 3.6Å; Y389-F393 AromaticContact CD2-CE2 3.56Å; Y389-F393 HydrophobicContact CD2-CE2 3.56Å; Y389-F393 HydrophobicContact CE1-CD2 4.07Å; Y389-F393 AromaticContact CE2-CD2 3.41Å; Y389-F393 HydrophobicContact CE2-CD2 3.41Å; Y389-F393 VanDerWaalsContact CE2-CD2 3.41Å; Y389-F393 AromaticContact CE2-CE2 3.32Å; Y389-F393 HydrophobicContact CE2-CE2 3.32Å; Y389-F393 HydrophobicContact CE2-CZ 4.42Å; Y389-F393 HydrophobicContact CG-CD2 4.01Å; Y389-F393 HydrophobicContact CG-CE2 4.39Å; Y389-F393 AromaticContact CZ-CD2 3.65Å; Y389-F393 AromaticContact CZ-CE2 3.99Å; Y389-F393 VanDerWaalsContact O-CD2 3.26Å; Y389-F393 WeakPolarHBondContact O-CD2 3.33Å; Y389-F393 PolarHBondContact O-N 3.26Å
394	L	78.1	Confident	88	Confident	104 Å²	104	76.4 Å²	76.4	55%	0.545	43%	0.431	S	S	.	.	H	α-helix	trans	-96.4	-26.4	171.9	-73	165.8	0	0	0	113.5	I183 W390	I183-L394 HydrophobicContact CD1-CD2 3.36Å; I183-L394 HydrophobicContact CD1-CG 4.01Å; I183-L394 HydrophobicContact CG2-CD2 4.42Å; W390-L394 HydrophobicContact CB-CD1 4.21Å; W390-L394 HydrophobicContact CD2-CD1 4.28Å; W390-L394 HydrophobicContact CE3-CD1 3.51Å; W390-L394 HydrophobicContact CE3-CG 3.91Å; W390-L394 HydrophobicContact CZ3-CD1 4.26Å; W390-L394 HydrophobicContact CZ3-CG 4.47Å; W390-L394 VanDerWaalsContact O-CB 3.23Å; W390-L394 WeakPolarHBondContact O-CB 3.39Å; W390-L394 PolarHBondContact O-N 3.06Å
395	G	59	Low	87.4	Confident	114 Å²	114	73.1 Å²	73.1	100%	1.175	42%	0.417	S	S	*	.			trans	-84.1	0	177.9	0	0	0	0	0	111.1	G391	G391-G395 PolarHBondContact O-N 3.44Å

Retrieved 395 of 395 residues in 172.6 ms (Link to these results)

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