A0A077Z126_TRITR Loading...

Metalloendopeptidase

Metalloprotease.

AlphaFold DB , UniProt , Accession A0A077Z126, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 380 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	38.2	Very low	36.3	Very low	233 Å²	233	162.4 Å²	162.4	100%	1.148	81%	0.811	S	S	*	*				0	135.6	0	-87.6	-178.7	179.3	0	0	107.6
2	I	36.8	Very low	36.1	Very low	154 Å²	154	156 Å²	156	79%	0.79	80%	0.803	S	S	*	*			trans	78.5	97.4	167.3	-51.6	161.8	0	0	0	113.6
3	T	33.3	Very low	36.2	Very low	110 Å²	110	155.6 Å²	155.6	68%	0.675	80%	0.803	S	S	*	*				87.6	112.6	58.4	61.2	0	0	0	0	115.8
4	F	33.3	Very low	36.1	Very low	190 Å²	190	157.8 Å²	157.8	83%	0.833	81%	0.808	S	S	*	*			trans	65.2	112.7	134.2	-75.4	-93.1	0	0	0	122.8
5	F	30.5	Very low	35.8	Very low	193 Å²	193	152.2 Å²	152.2	85%	0.846	81%	0.805	S	S	*	*				6.9	171.9	123.6	-79.5	-90	0	0	0	120.3
6	P	49.6	Very low	35.6	Very low	97 Å²	97	157.6 Å²	157.6	63%	0.63	81%	0.811	S	S	*	*				-140.4	-172.2	-56.4	38.9	-18.4	0	0	0	113
7	H	38	Very low	35.3	Very low	163 Å²	163	155 Å²	155	76%	0.755	81%	0.81	S	S	*	*			trans	177.1	121.6	141.5	-101.1	-69.3	0	0	0	110.9
8	F	34.5	Very low	35.1	Very low	172 Å²	172	152 Å²	152	75%	0.754	80%	0.804	S	S	*	*				59.6	131.2	108.5	-88.3	-95.3	0	0	0	115.2
9	S	35.8	Very low	34.8	Very low	110 Å²	110	151.2 Å²	151.2	77%	0.769	81%	0.811	S	S	*	*			cis	-168.4	170	43.9	-37.8	0	0	0	0	113
10	W	30.5	Very low	34.6	Very low	217 Å²	217	152.6 Å²	152.6	82%	0.822	81%	0.811	S	S	*	*			trans	-65.5	156.7	-176.1	-78.2	61.9	0	0	0	118.7
11	T	38.5	Very low	34.4	Very low	147 Å²	147	150.1 Å²	150.1	90%	0.902	81%	0.812	S	S	*	*				-170.3	154.1	104.4	35.2	0	0	0	0	112
12	A	34.7	Very low	34.1	Very low	86 Å²	86	147.8 Å²	147.8	71%	0.711	80%	0.799	S	S	*	*			trans	-87.2	151.8	-163.4	0	0	0	0	0	114.5
13	N	37.4	Very low	33.8	Very low	151 Å²	151	145.5 Å²	145.5	81%	0.807	79%	0.794	S	S	*	*				-159.6	154.9	129.2	-140.4	-9.2	0	0	0	113.3
14	Q	34.4	Very low	33.6	Very low	186 Å²	186	148.4 Å²	148.4	87%	0.869	80%	0.802	S	S	*	*			trans	-65.4	148.4	-162.5	-61.3	165	-5.2	0	0	115.7
15	G	31.3	Very low	33.5	Very low	74 Å²	74	147.9 Å²	147.9	76%	0.763	80%	0.802	S	S	*	*			trans	149.8	117.5	153.3	0	0	0	0	0	116.1
16	R	33	Very low	33.5	Very low	238 Å²	238	145.1 Å²	145.1	90%	0.898	80%	0.801	S	S	*	*			trans	77.5	100.6	155.9	-73.3	-179.7	-174.5	-151.9	-1.1	119.5
17	S	31.1	Very low	32.5	Very low	114 Å²	114	146.1 Å²	146.1	80%	0.797	80%	0.8	S	S	*	*				42.6	97.1	122.3	58.8	0	0	0	0	117.7
18	S	31.3	Very low	32.2	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	80%	0.804	S	S	*	*			trans	-151	130.9	149.7	41.6	0	0	0	0	109.8	H20	S18-H20 PolarHBondContact O-N 2.98Å
19	C	28.4	Very low	31.8	Very low	137 Å²	137	144.3 Å²	144.3	93%	0.926	80%	0.804	S	S	*	*			trans	-64.9	114.2	-177.2	-62	0	0	0	0	110.5
20	H	31.8	Very low	31.5	Very low	178 Å²	178	150 Å²	150	82%	0.824	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-86.1	126.4	166.6	-92.9	-78	0	0	0	110.2	S18	S18-H20 PolarHBondContact O-N 2.98Å
21	A	30.9	Very low	31.4	Very low	101 Å²	101	145.8 Å²	145.8	84%	0.835	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-62.2	125.2	169.7	0	0	0	0	0	110.6
22	E	30.3	Very low	31	Very low	185 Å²	185	143.7 Å²	143.7	86%	0.864	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-94	153.5	167.3	-90.8	-166.4	147.2	0	0	111.7
23	P	30.2	Very low	30.6	Very low	106 Å²	106	147.5 Å²	147.5	69%	0.688	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-79.9	149.4	-163.1	0.7	17.4	0	0	0	112.8	Q25	P23-Q25 VanDerWaalsContact C-N 3.27Å; P23-Q25 PolarHBondContact O-N 3.01Å
24	M	30.9	Very low	30.5	Very low	171 Å²	171	143.7 Å²	143.7	84%	0.842	78%	0.781	S	S	*	*	S	Bend	trans	-59.5	70.3	174.4	-80.5	-96.1	-84.5	0	0	113.6	L27	M24-L27 HydrophobicContact SD-CD1 4.38Å
25	Q	30.6	Very low	30.5	Very low	179 Å²	179	136.8 Å²	136.8	84%	0.836	76%	0.755	S	S	*	*			trans	-136.9	4.2	170.7	-75.4	-171.5	-23.5	0	0	114.9	P23	P23-Q25 VanDerWaalsContact C-N 3.27Å; P23-Q25 PolarHBondContact O-N 3.01Å
26	V	29.7	Very low	30.5	Very low	135 Å²	135	135.6 Å²	135.6	82%	0.818	74%	0.743	S	S	*	*	S	Bend	trans	-121.7	37.7	-179.2	-160	0	0	0	0	112.9
27	L	29.9	Very low	30.9	Very low	117 Å²	117	130.1 Å²	130.1	61%	0.613	73%	0.728	S	S	*	*	S	Bend	trans	-115.4	-5.3	174.4	-88.7	159.4	0	0	0	114.5	M24	M24-L27 HydrophobicContact SD-CD1 4.38Å
28	F	29.9	Very low	31.5	Very low	191 Å²	191	128 Å²	128	84%	0.838	71%	0.707	S	S	*	*	S	Bend	trans	-86	-15.2	-178.3	-98	-91.7	0	0	0	115.4
29	S	28	Very low	32.2	Very low	107 Å²	107	126.4 Å²	126.4	75%	0.748	69%	0.69	S	S	*	*	S	Bend	trans	-97	-1.5	-179.3	-70.1	0	0	0	0	115.4
30	R	28	Very low	33.9	Very low	228 Å²	228	123.4 Å²	123.4	86%	0.86	68%	0.675	S	S	*	*	S	Bend	trans	-102.8	-2.4	178.2	-74.4	-173.4	173.9	-155	-0.5	114.9
31	L	29.1	Very low	35.7	Very low	130 Å²	130	116.3 Å²	116.3	68%	0.681	64%	0.643	S	S	*	*	S	Bend	trans	-93.8	-7.3	176.2	-88.4	149.8	0	0	0	114.1
32	V	29.7	Very low	37.7	Very low	103 Å²	103	111.5 Å²	111.5	62%	0.624	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-81.7	-17.3	-174.3	-178	0	0	0	0	112.8	S34	V32-S34 PolarHBondContact O-N 3.44Å
33	L	27.2	Very low	40	Very low	165 Å²	165	102.7 Å²	102.7	86%	0.864	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-82.2	-5.5	-173.6	-80.5	154.4	0	0	0	115.5
34	S	34.1	Very low	42.4	Very low	72 Å²	72	98.2 Å²	98.2	50%	0.503	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-107.5	-4.5	171.9	70.1	0	0	0	0	114.3	V32	V32-S34 PolarHBondContact O-N 3.44Å
35	A	34.1	Very low	45.1	Very low	40 Å²	40	91 Å²	91	33%	0.331	50%	0.5	S	S	.	.	H	α-helix	trans	-75.8	-26.5	-179.8	0	0	0	0	0	112.8	Q37 I38 L39	A35-Q37 VanDerWaalsContact C-N 3.32Å; A35-Q37 PolarHBondContact O-N 3.24Å; A35-I38 PolarHBondContact O-N 2.88Å; A35-L39 HydrophobicContact CB-CD1 4.22Å; A35-L39 WeakPolarHBondContact O-CB 2.99Å; A35-L39 WeakPolarHBondContact O-CD1 2.96Å; A35-L39 WeakPolarHBondContact O-CG 3.46Å; A35-L39 PolarHBondContact O-N 3.05Å
36	G	33	Very low	47.5	Very low	50 Å²	50	82.5 Å²	82.5	52%	0.515	46%	0.46	S	S	.	.	H	α-helix	trans	-60.4	-30.9	-170.5	0	0	0	0	0	115.9
37	Q	40.7	Very low	49.8	Very low	123 Å²	123	77 Å²	77	58%	0.575	43%	0.428	S	S	*	.	H	α-helix	trans	-89.8	-34.7	-178.5	-77.5	173.4	-44.5	0	0	113.2	A35 L39 A40	A35-Q37 VanDerWaalsContact C-N 3.32Å; A35-Q37 PolarHBondContact O-N 3.24Å; Q37-L39 PolarHBondContact O-N 2.88Å; Q37-A40 PolarHBondContact O-N 3.29Å
38	I	44.2	Very low	51.4	Low	69 Å²	69	73.9 Å²	73.9	35%	0.354	42%	0.424	S	S	.	.	H	α-helix	trans	-66	-30.6	171.1	-60.9	173.8	0	0	0	110.2	A35 A40 L41	A35-I38 PolarHBondContact O-N 2.88Å; I38-A40 PolarHBondContact O-N 3.48Å; I38-L41 PolarHBondContact O-N 3.04Å
39	L	45.8	Very low	52.8	Low	68 Å²	68	65.7 Å²	65.7	36%	0.356	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.2	174.5	-88.6	159.1	0	0	0	114.2	A35 Q37 M200 K202	A35-L39 HydrophobicContact CB-CD1 4.22Å; A35-L39 WeakPolarHBondContact O-CB 2.99Å; A35-L39 WeakPolarHBondContact O-CD1 2.96Å; A35-L39 WeakPolarHBondContact O-CG 3.46Å; A35-L39 PolarHBondContact O-N 3.05Å; Q37-L39 PolarHBondContact O-N 2.88Å; L39-M200 HydrophobicContact CD2-CE 3.24Å; L39-M200 HydrophobicContact CD2-SD 3.99Å; L39-M200 HydrophobicContact CG-CE 3.66Å; L39-K202 PolarHBondContact O-NZ 3.24Å
40	A	63.3	Low	53.8	Low	73 Å²	73	66.2 Å²	66.2	60%	0.603	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-21.9	-175.7	0	0	0	0	0	113.6	Q37 I38	Q37-A40 PolarHBondContact O-N 3.29Å; I38-A40 PolarHBondContact O-N 3.48Å
41	L	71	Confident	54.8	Low	30 Å²	30	58 Å²	58	16%	0.157	35%	0.347	C	S	.	.	S	Bend	trans	-72.7	136.9	179.7	-64.7	173.3	0	0	0	110.5	I38 E43 G44	I38-L41 PolarHBondContact O-N 3.04Å; L41-E43 PolarHBondContact O-N 3.26Å; L41-G44 WeakPolarHBondContact CD1-O 3.42Å; L41-G44 PolarHBondContact O-N 3.34Å
42	F	72.4	Confident	55.7	Low	0 Å²	0	57.6 Å²	57.6	0%	0	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-65.8	128.1	173.6	-177.5	-96.5	0	0	0	108.2	G44 D45 I46 F49 W51 V54 F177 Y207	F42-G44 PolarHBondContact O-N 2.02Å; F42-D45 PolarHBondContact O-N 3.16Å; F42-I46 HydrophobicContact CB-CB 4.06Å; F42-I46 HydrophobicContact CB-CG2 4.21Å; F42-I46 HydrophobicContact CD1-CB 4.01Å; F42-I46 HydrophobicContact CD1-CD1 3.86Å; F42-I46 HydrophobicContact CD1-CG2 4.08Å; F42-I46 HydrophobicContact CE1-CD1 4.33Å; F42-I46 PolarHBondContact N-O 3.39Å; F42-I46 WeakPolarHBondContact O-CA 3.28Å; F42-I46 VanDerWaalsContact O-CB 3.22Å; F42-I46 WeakPolarHBondContact O-CB 3.24Å; F42-I46 PolarHBondContact O-N 3.45Å; F42-F49 HydrophobicContact CB-CB 4.23Å; F42-F49 HydrophobicContact CD2-CB 4.49Å; F42-F49 HydrophobicContact CG-CB 4.25Å; F42-W51 HydrophobicContact CB-CZ2 4.38Å; F42-W51 AromaticContact CD2-CD2 3.85Å; F42-W51 HydrophobicContact CD2-CD2 3.85Å; F42-W51 AromaticContact CD2-CE2 3.85Å; F42-W51 AromaticContact CD2-CE3 3.66Å; F42-W51 HydrophobicContact CD2-CE3 3.66Å; F42-W51 AromaticContact CD2-CH2 3.51Å; F42-W51 HydrophobicContact CD2-CH2 3.51Å; F42-W51 AromaticContact CD2-CZ2 3.7Å; F42-W51 HydrophobicContact CD2-CZ2 3.7Å; F42-W51 AromaticContact CD2-CZ3 3.51Å; F42-W51 HydrophobicContact CD2-CZ3 3.51Å; F42-W51 HydrophobicContact CE2-CD2 4.26Å; F42-W51 AromaticContact CE2-CE3 3.63Å; F42-W51 HydrophobicContact CE2-CE3 3.63Å; F42-W51 AromaticContact CE2-CH2 3.88Å; F42-W51 HydrophobicContact CE2-CH2 3.88Å; F42-W51 HydrophobicContact CE2-CZ2 4.47Å; F42-W51 AromaticContact CE2-CZ3 3.44Å; F42-W51 HydrophobicContact CE2-CZ3 3.44Å; F42-W51 VanDerWaalsContact CE2-CZ3 3.44Å; F42-W51 HydrophobicContact CG-CH2 4.2Å; F42-W51 HydrophobicContact CG-CZ2 4.28Å; F42-W51 HydrophobicContact CZ-CZ3 4.45Å; F42-V54 HydrophobicContact CE2-CB 4.45Å; F42-V54 HydrophobicContact CZ-CG1 4.37Å; F42-F177 AromaticContact CE1-CD1 3.98Å; F42-F177 HydrophobicContact CE1-CD1 3.98Å; F42-F177 AromaticContact CE1-CE1 3.94Å; F42-F177 HydrophobicContact CE1-CE1 3.94Å; F42-Y207 HydrophobicContact CE1-CD2 4.37Å; F42-Y207 HydrophobicContact CE1-CE1 4.49Å; F42-Y207 AromaticContact CE1-CE2 3.55Å; F42-Y207 HydrophobicContact CE1-CE2 3.55Å; F42-Y207 AromaticContact CE1-CZ 3.63Å; F42-Y207 AromaticContact CE2-CE1 3.74Å; F42-Y207 HydrophobicContact CE2-CE1 3.74Å; F42-Y207 HydrophobicContact CE2-CE2 4.26Å; F42-Y207 AromaticContact CE2-CZ 3.51Å; F42-Y207 WeakPolarHBondContact CE2-OH 3.22Å; F42-Y207 HydrophobicContact CZ-CD1 4.15Å; F42-Y207 HydrophobicContact CZ-CD2 4Å; F42-Y207 AromaticContact CZ-CE1 3.43Å; F42-Y207 HydrophobicContact CZ-CE1 3.43Å; F42-Y207 VanDerWaalsContact CZ-CE1 3.43Å; F42-Y207 AromaticContact CZ-CE2 3.25Å; F42-Y207 HydrophobicContact CZ-CE2 3.25Å; F42-Y207 HydrophobicContact CZ-CG 4.39Å; F42-Y207 AromaticContact CZ-CZ 2.94Å; F42-Y207 WeakPolarHBondContact CZ-OH 3.22Å
43	E	78.9	Confident	56.4	Low	0 Å²	0	58.9 Å²	58.9	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	40.1	-172.9	-53.4	-169.8	134.6	0	0	112.7	L41 D45 I46 H178 S181 N203 Y207 Y227	L41-E43 PolarHBondContact O-N 3.26Å; E43-D45 PolarHBondContact O-N 2.76Å; E43-I46 HydrophobicContact CB-CD1 4.4Å; E43-H178 WeakPolarHBondContact CB-ND1 3.44Å; E43-H178 IonicContact OE2-CE1 3.91Å; E43-H178 IonicContact OE2-CG 3.96Å; E43-H178 IonicContact OE2-ND1 3.01Å; E43-H178 PolarHBondContact OE2-ND1 3.04Å; E43-S181 WeakPolarHBondContact OE1-CB 3.41Å; E43-S181 PolarHBondContact OE1-OG 2.91Å; E43-N203 WeakPolarHBondContact CA-OD1 3.35Å; E43-N203 PolarHBondContact N-OD1 3.16Å; E43-Y207 HydrophobicContact CG-CE2 4.33Å; E43-Y207 WeakPolarHBondContact OE1-CE2 3.46Å; E43-Y207 PolarHBondContact OE1-OH 2.96Å; E43-Y227 PolarHBondContact O-OH 3.06Å
44	G	80.7	Confident	57.5	Low	11 Å²	11	51 Å²	51	11%	0.113	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	-24.9	172.8	0	0	0	0	0	118.4	L41 F42	L41-G44 WeakPolarHBondContact CD1-O 3.42Å; L41-G44 PolarHBondContact O-N 3.34Å; F42-G44 PolarHBondContact O-N 2.02Å
45	D	86.7	Confident	58.3	Low	21 Å²	21	54.8 Å²	54.8	11%	0.112	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.9	-0.2	-177.3	57.1	18.7	0	0	0	114.5	F42 E43 C140 S141 S142 H168 H172 H178	F42-D45 PolarHBondContact O-N 3.16Å; E43-D45 PolarHBondContact O-N 2.76Å; D45-C140 VanDerWaalsContact CB-O 3.25Å; D45-C140 WeakPolarHBondContact CB-O 3.39Å; D45-S141 CarbonylContact O-C 3.55Å; D45-S141 WeakPolarHBondContact O-CA 3.44Å; D45-S141 WeakPolarHBondContact O-CB 3.16Å; D45-S142 PolarHBondContact O-N 3.23Å; D45-H168 IonicContact OD2-CD2 3.63Å; D45-H168 IonicContact OD2-NE2 2.6Å; D45-H168 PolarHBondContact OD2-NE2 3.33Å; D45-H172 IonicContact OD1-NE2 2.9Å; D45-H172 PolarHBondContact OD1-NE2 2.77Å; D45-H178 IonicContact OD1-CE1 3.77Å; D45-H178 PolarHBondContact OD1-CE1 3.18Å; D45-H178 IonicContact OD1-NE2 2.82Å; D45-H178 PolarHBondContact OD1-NE2 3.23Å; D45-H178 IonicContact OD2-CE1 3.44Å; D45-H178 IonicContact OD2-NE2 3.89Å
46	I	80.4	Confident	59.1	Low	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125	173.7	-62.4	164.8	0	0	0	110.4	F42 E43 F49 S142 V144 F177	F42-I46 HydrophobicContact CB-CB 4.06Å; F42-I46 HydrophobicContact CB-CG2 4.21Å; F42-I46 HydrophobicContact CD1-CB 4.01Å; F42-I46 HydrophobicContact CD1-CD1 3.86Å; F42-I46 HydrophobicContact CD1-CG2 4.08Å; F42-I46 HydrophobicContact CE1-CD1 4.33Å; F42-I46 PolarHBondContact N-O 3.39Å; F42-I46 WeakPolarHBondContact O-CA 3.28Å; F42-I46 VanDerWaalsContact O-CB 3.22Å; F42-I46 WeakPolarHBondContact O-CB 3.24Å; F42-I46 PolarHBondContact O-N 3.45Å; E43-I46 HydrophobicContact CB-CD1 4.4Å; I46-F49 HydrophobicContact CG2-CD2 3.9Å; I46-S142 WeakPolarHBondContact CA-O 3.07Å; I46-V144 HydrophobicContact CB-CG2 4.35Å; I46-V144 HydrophobicContact CD1-CG2 3.79Å; I46-V144 HydrophobicContact CG1-CG2 3.84Å; I46-V144 HydrophobicContact CG2-CG2 3.62Å; I46-F177 HydrophobicContact CD1-CD1 3.73Å; I46-F177 HydrophobicContact CD1-CE1 4.35Å
47	S	79.3	Confident	59.9	Low	19 Å²	19	56.9 Å²	56.9	13%	0.133	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	156.3	175.4	62.8	0	0	0	0	111.9	F49 S142 F143	S47-F49 VanDerWaalsContact C-N 3.32Å; S47-F49 PolarHBondContact O-N 3.47Å; S47-S142 PolarHBondContact N-O 2.97Å; S47-S142 PolarHBondContact OG-O 3.41Å; S47-F143 WeakPolarHBondContact OG-CD2 3.3Å; S47-F143 VanDerWaalsContact OG-CE2 3.27Å; S47-F143 WeakPolarHBondContact OG-CE2 3.18Å; S47-F143 PolarHBondContact OG-N 2.93Å
48	G	63.5	Low	60.1	Low	52 Å²	52	54.6 Å²	54.6	54%	0.536	31%	0.312	S	S	.	.	S	Bend	trans	77.2	10.3	174.9	0	0	0	0	0	115.9
49	F	59.7	Low	60	Low	19 Å²	19	56.8 Å²	56.8	8%	0.083	33%	0.325	C	S	.	.			trans	-112.2	126.6	166.6	-84.5	-91.8	0	0	0	108.8	F42 I46 S47 V54 V144 F177	F42-F49 HydrophobicContact CB-CB 4.23Å; F42-F49 HydrophobicContact CD2-CB 4.49Å; F42-F49 HydrophobicContact CG-CB 4.25Å; I46-F49 HydrophobicContact CG2-CD2 3.9Å; S47-F49 VanDerWaalsContact C-N 3.32Å; S47-F49 PolarHBondContact O-N 3.47Å; F49-V54 HydrophobicContact CD1-CG2 3.9Å; F49-V54 HydrophobicContact CE1-CG2 4.35Å; F49-V144 HydrophobicContact CE2-CB 3.84Å; F49-F177 HydrophobicContact CE1-CZ 4.26Å; F49-F177 HydrophobicContact CE2-CE1 4.42Å; F49-F177 HydrophobicContact CE2-CZ 4.23Å; F49-F177 HydrophobicContact CZ-CE1 4.4Å; F49-F177 AromaticContact CZ-CZ 3.88Å; F49-F177 HydrophobicContact CZ-CZ 3.88Å
50	H	48.5	Very low	59.7	Low	118 Å²	118	58.8 Å²	58.8	55%	0.546	34%	0.34	S	S	.	.			trans	-92.8	144.5	167.2	-145.6	-98	0	0	0	109	D52 E53	H50-D52 IonicContact CE1-OD2 3.28Å; H50-D52 PolarHBondContact CE1-OD2 3.3Å; H50-D52 VanDerWaalsContact CE1-OD2 3.28Å; H50-D52 IonicContact CG-OD2 3.97Å; H50-D52 IonicContact ND1-OD2 2.76Å; H50-D52 PolarHBondContact ND1-OD2 3.24Å; H50-D52 PolarHBondContact O-N 3.16Å; H50-D52 VanDerWaalsContact O-N 3.07Å; H50-E53 HydrophobicContact CB-CG 4.46Å; H50-E53 WeakPolarHBondContact O-CB 3.48Å; H50-E53 PolarHBondContact O-N 2.59Å
51	W	49	Very low	58.4	Low	54 Å²	54	63 Å²	63	21%	0.205	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-59	-24	-179.8	-64.3	95.5	0	0	0	112.6	F42 E53 V54 K202 Y207	F42-W51 HydrophobicContact CB-CZ2 4.38Å; F42-W51 AromaticContact CD2-CD2 3.85Å; F42-W51 HydrophobicContact CD2-CD2 3.85Å; F42-W51 AromaticContact CD2-CE2 3.85Å; F42-W51 AromaticContact CD2-CE3 3.66Å; F42-W51 HydrophobicContact CD2-CE3 3.66Å; F42-W51 AromaticContact CD2-CH2 3.51Å; F42-W51 HydrophobicContact CD2-CH2 3.51Å; F42-W51 AromaticContact CD2-CZ2 3.7Å; F42-W51 HydrophobicContact CD2-CZ2 3.7Å; F42-W51 AromaticContact CD2-CZ3 3.51Å; F42-W51 HydrophobicContact CD2-CZ3 3.51Å; F42-W51 HydrophobicContact CE2-CD2 4.26Å; F42-W51 AromaticContact CE2-CE3 3.63Å; F42-W51 HydrophobicContact CE2-CE3 3.63Å; F42-W51 AromaticContact CE2-CH2 3.88Å; F42-W51 HydrophobicContact CE2-CH2 3.88Å; F42-W51 HydrophobicContact CE2-CZ2 4.47Å; F42-W51 AromaticContact CE2-CZ3 3.44Å; F42-W51 HydrophobicContact CE2-CZ3 3.44Å; F42-W51 VanDerWaalsContact CE2-CZ3 3.44Å; F42-W51 HydrophobicContact CG-CH2 4.2Å; F42-W51 HydrophobicContact CG-CZ2 4.28Å; F42-W51 HydrophobicContact CZ-CZ3 4.45Å; W51-E53 VanDerWaalsContact C-N 3.26Å; W51-E53 PolarHBondContact O-N 3.29Å; W51-V54 PolarHBondContact O-N 3.14Å; W51-V54 VanDerWaalsContact O-O 3.11Å; W51-K202 HydrophobicContact CH2-CB 3.88Å; W51-K202 HydrophobicContact CH2-CD 4.33Å; W51-K202 HydrophobicContact CH2-CG 4Å; W51-K202 VanDerWaalsContact CH2-O 3.26Å; W51-K202 WeakPolarHBondContact CH2-O 3.5Å; W51-K202 HydrophobicContact CZ2-CB 4.19Å; W51-K202 HydrophobicContact CZ2-CD 3.75Å; W51-K202 HydrophobicContact CZ2-CG 3.88Å; W51-K202 HydrophobicContact CZ3-CB 4.09Å; W51-K202 WeakPolarHBondContact CZ3-O 3.35Å; W51-Y207 HydrophobicContact CZ3-CE1 4.39Å; W51-Y207 WeakPolarHBondContact CZ3-OH 3.03Å
52	D	46.8	Very low	56.5	Low	122 Å²	122	69.5 Å²	69.5	65%	0.652	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-71.3	-19.8	177.5	-53.1	-45	0	0	0	113.3	H50 V54	H50-D52 IonicContact CE1-OD2 3.28Å; H50-D52 PolarHBondContact CE1-OD2 3.3Å; H50-D52 VanDerWaalsContact CE1-OD2 3.28Å; H50-D52 IonicContact CG-OD2 3.97Å; H50-D52 IonicContact ND1-OD2 2.76Å; H50-D52 PolarHBondContact ND1-OD2 3.24Å; H50-D52 PolarHBondContact O-N 3.16Å; H50-D52 VanDerWaalsContact O-N 3.07Å; D52-V54 VanDerWaalsContact C-N 3.33Å
53	E	45.2	Very low	54.5	Low	130 Å²	130	77.3 Å²	77.3	61%	0.607	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-83.9	-11	178.1	-62.5	-180	-174.8	0	0	112.4	H50 W51	H50-E53 HydrophobicContact CB-CG 4.46Å; H50-E53 WeakPolarHBondContact O-CB 3.48Å; H50-E53 PolarHBondContact O-N 2.59Å; W51-E53 VanDerWaalsContact C-N 3.26Å; W51-E53 PolarHBondContact O-N 3.29Å
54	V	49.7	Very low	52.3	Low	1 Å²	1	83.9 Å²	83.9	1%	0.006	45%	0.446	C	S	.	.	S	Bend	trans	-134.2	99.2	-172.8	-176.1	0	0	0	0	110.1	F42 F49 W51 D52 P56 Y207 V211	F42-V54 HydrophobicContact CE2-CB 4.45Å; F42-V54 HydrophobicContact CZ-CG1 4.37Å; F49-V54 HydrophobicContact CD1-CG2 3.9Å; F49-V54 HydrophobicContact CE1-CG2 4.35Å; W51-V54 PolarHBondContact O-N 3.14Å; W51-V54 VanDerWaalsContact O-O 3.11Å; D52-V54 VanDerWaalsContact C-N 3.33Å; V54-P56 VanDerWaalsContact O-CD 3.28Å; V54-P56 WeakPolarHBondContact O-CD 3.03Å; V54-Y207 HydrophobicContact CB-CD1 4.5Å; V54-Y207 HydrophobicContact CG1-CD1 3.2Å; V54-Y207 HydrophobicContact CG1-CE1 3.79Å; V54-Y207 HydrophobicContact CG1-CG 3.76Å; V54-V211 HydrophobicContact CG1-CG2 4.18Å
55	H	50.8	Low	50	Low	150 Å²	150	88.5 Å²	88.5	69%	0.694	48%	0.483	S	S	*	.			trans	-73.9	118.6	175.9	-62.5	-45.3	0	0	0	111.2
56	P	50.9	Low	47.7	Very low	64 Å²	64	94.3 Å²	94.3	42%	0.416	51%	0.513	S	S	.	.	B	Isolated β-bridge	trans	-65.9	145.7	174.6	25	-30.6	0	0	0	110.6	V54 A58 E205	V54-P56 VanDerWaalsContact O-CD 3.28Å; V54-P56 WeakPolarHBondContact O-CD 3.03Å; P56-A58 PolarHBondContact O-N 3.41Å; P56-E205 HydrophobicContact CB-CB 4.39Å; P56-E205 HydrophobicContact CB-CG 4.43Å; P56-E205 WeakPolarHBondContact CB-OE2 3.49Å
57	I	49.5	Very low	45.5	Very low	71 Å²	71	99.2 Å²	99.2	36%	0.364	53%	0.534	S	S	.	.			trans	-74.5	112.3	173.4	-61.9	165.4	0	0	0	108.1	D59 T183 K206	I57-D59 PolarHBondContact O-N 2.83Å; I57-T183 HydrophobicContact CD1-CG2 3.96Å; I57-K206 PolarHBondContact N-O 3.43Å
58	A	45.8	Very low	43.4	Very low	74 Å²	74	104.5 Å²	104.5	61%	0.612	56%	0.555	S	S	*	*			trans	-64.5	131.7	165	0	0	0	0	0	109.1	P56 T60	P56-A58 PolarHBondContact O-N 3.41Å; A58-T60 PolarHBondContact O-N 2.85Å; A58-T60 PolarHBondContact O-OG1 3.41Å
59	D	42.9	Very low	42.6	Very low	116 Å²	116	105.2 Å²	105.2	62%	0.62	54%	0.544	S	S	*	.			trans	-63.7	78.9	-173.3	-148.4	27.1	0	0	0	111.1	I57 H61 K206	I57-D59 PolarHBondContact O-N 2.83Å; D59-H61 PolarHBondContact O-N 3.27Å; D59-K206 IonicContact OD1-NZ 2.69Å
60	T	37.8	Very low	42.6	Very low	110 Å²	110	104.8 Å²	104.8	68%	0.675	54%	0.542	S	S	*	.			trans	-92.1	88.8	177.4	40.8	0	0	0	0	107.9	A58 Q62	A58-T60 PolarHBondContact O-N 2.85Å; A58-T60 PolarHBondContact O-OG1 3.41Å; T60-Q62 VanDerWaalsContact C-N 3.27Å; T60-Q62 PolarHBondContact O-N 2.72Å
61	H	36.7	Very low	43.9	Very low	161 Å²	161	99.2 Å²	99.2	75%	0.745	52%	0.516	S	S	*	.			trans	-62.6	84.1	165.3	-97.8	-89.8	0	0	0	109.8	D59	D59-H61 PolarHBondContact O-N 3.27Å
62	Q	32.1	Very low	45.1	Very low	167 Å²	167	96.6 Å²	96.6	78%	0.78	51%	0.507	S	S	*	.	S	Bend	trans	174.2	126.2	150.5	-95.3	148.8	24	0	0	110.4	T60	T60-Q62 VanDerWaalsContact C-N 3.27Å; T60-Q62 PolarHBondContact O-N 2.72Å
63	L	29.5	Very low	46.4	Very low	163 Å²	163	90.9 Å²	90.9	85%	0.853	48%	0.476	S	S	*	.	S	Bend	trans	99.7	14.2	160.3	-61.4	161.6	0	0	0	122.7
64	F	32.9	Very low	47.6	Very low	138 Å²	138	85.5 Å²	85.5	61%	0.605	45%	0.451	S	S	*	.			trans	-119.1	61.1	-174.8	-71.3	-107.4	0	0	0	114.4	I66 F67	F64-I66 PolarHBondContact O-N 2.9Å; F64-F67 HydrophobicContact CB-CB 4.42Å; F64-F67 HydrophobicContact CB-CD2 3.46Å; F64-F67 VanDerWaalsContact CB-CD2 3.46Å; F64-F67 HydrophobicContact CB-CE2 3.98Å; F64-F67 HydrophobicContact CB-CG 4.16Å; F64-F67 HydrophobicContact CD1-CB 4.36Å; F64-F67 AromaticContact CD1-CD1 3.79Å; F64-F67 HydrophobicContact CD1-CD1 3.79Å; F64-F67 AromaticContact CD1-CD2 3Å; F64-F67 HydrophobicContact CD1-CD2 3Å; F64-F67 AromaticContact CD1-CE1 3.73Å; F64-F67 HydrophobicContact CD1-CE1 3.73Å; F64-F67 AromaticContact CD1-CE2 2.91Å; F64-F67 HydrophobicContact CD1-CE2 2.91Å; F64-F67 AromaticContact CD1-CG 3.44Å; F64-F67 HydrophobicContact CD1-CG 3.44Å; F64-F67 VanDerWaalsContact CD1-CG 3.44Å; F64-F67 AromaticContact CD1-CZ 3.29Å; F64-F67 HydrophobicContact CD1-CZ 3.29Å; F64-F67 HydrophobicContact CE1-CD1 4.22Å; F64-F67 AromaticContact CE1-CD2 3.91Å; F64-F67 HydrophobicContact CE1-CD2 3.91Å; F64-F67 AromaticContact CE1-CE1 3.72Å; F64-F67 HydrophobicContact CE1-CE1 3.72Å; F64-F67 AromaticContact CE1-CE2 3.35Å; F64-F67 HydrophobicContact CE1-CE2 3.35Å; F64-F67 HydrophobicContact CE1-CG 4.29Å; F64-F67 AromaticContact CE1-CZ 3.24Å; F64-F67 HydrophobicContact CE1-CZ 3.24Å; F64-F67 AromaticContact CG-CD2 3.59Å; F64-F67 HydrophobicContact CG-CD2 3.59Å; F64-F67 AromaticContact CG-CE2 3.67Å; F64-F67 HydrophobicContact CG-CE2 3.67Å; F64-F67 HydrophobicContact CG-CG 4.26Å; F64-F67 HydrophobicContact CG-CZ 4.41Å; F64-F67 HydrophobicContact CZ-CE2 4.46Å; F64-F67 HydrophobicContact CZ-CZ 4.41Å
65	A	33.2	Very low	48.7	Very low	109 Å²	109	88 Å²	88	90%	0.901	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	5.7	170.9	0	0	0	0	0	114.6
66	I	38.5	Very low	49.3	Very low	143 Å²	143	88.3 Å²	88.3	73%	0.733	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	0.1	-171	-62	177.4	0	0	0	112.9	F64	F64-I66 PolarHBondContact O-N 2.9Å
67	F	32.7	Very low	49.6	Very low	103 Å²	103	88.4 Å²	88.4	45%	0.452	47%	0.471	S	S	.	.			trans	-103.8	127.3	-163.2	-64.7	-96.5	0	0	0	113.1	F64	F64-F67 HydrophobicContact CB-CB 4.42Å; F64-F67 HydrophobicContact CB-CD2 3.46Å; F64-F67 VanDerWaalsContact CB-CD2 3.46Å; F64-F67 HydrophobicContact CB-CE2 3.98Å; F64-F67 HydrophobicContact CB-CG 4.16Å; F64-F67 HydrophobicContact CD1-CB 4.36Å; F64-F67 AromaticContact CD1-CD1 3.79Å; F64-F67 HydrophobicContact CD1-CD1 3.79Å; F64-F67 AromaticContact CD1-CD2 3Å; F64-F67 HydrophobicContact CD1-CD2 3Å; F64-F67 AromaticContact CD1-CE1 3.73Å; F64-F67 HydrophobicContact CD1-CE1 3.73Å; F64-F67 AromaticContact CD1-CE2 2.91Å; F64-F67 HydrophobicContact CD1-CE2 2.91Å; F64-F67 AromaticContact CD1-CG 3.44Å; F64-F67 HydrophobicContact CD1-CG 3.44Å; F64-F67 VanDerWaalsContact CD1-CG 3.44Å; F64-F67 AromaticContact CD1-CZ 3.29Å; F64-F67 HydrophobicContact CD1-CZ 3.29Å; F64-F67 HydrophobicContact CE1-CD1 4.22Å; F64-F67 AromaticContact CE1-CD2 3.91Å; F64-F67 HydrophobicContact CE1-CD2 3.91Å; F64-F67 AromaticContact CE1-CE1 3.72Å; F64-F67 HydrophobicContact CE1-CE1 3.72Å; F64-F67 AromaticContact CE1-CE2 3.35Å; F64-F67 HydrophobicContact CE1-CE2 3.35Å; F64-F67 HydrophobicContact CE1-CG 4.29Å; F64-F67 AromaticContact CE1-CZ 3.24Å; F64-F67 HydrophobicContact CE1-CZ 3.24Å; F64-F67 AromaticContact CG-CD2 3.59Å; F64-F67 HydrophobicContact CG-CD2 3.59Å; F64-F67 AromaticContact CG-CE2 3.67Å; F64-F67 HydrophobicContact CG-CE2 3.67Å; F64-F67 HydrophobicContact CG-CG 4.26Å; F64-F67 HydrophobicContact CG-CZ 4.41Å; F64-F67 HydrophobicContact CZ-CE2 4.46Å; F64-F67 HydrophobicContact CZ-CZ 4.41Å
68	K	34.7	Very low	50.5	Low	130 Å²	130	87.7 Å²	87.7	57%	0.565	47%	0.465	S	S	*	.			trans	-70.7	168.5	-168.1	-61.8	162.8	-175.5	169.6	0	110.2	H70 T183	K68-H70 PolarHBondContact O-CD2 2.03Å; K68-H70 PolarHBondContact O-NE2 3.27Å; K68-T183 PolarHBondContact O-OG1 2.86Å
69	H	47.5	Very low	51.8	Low	67 Å²	67	88.2 Å²	88.2	31%	0.31	46%	0.463	S	S	.	.			trans	-104.2	-51.6	-155.4	-40.7	-71.1	0	0	0	120.3	R182 T183 D184 T214	H69-R182 VanDerWaalsContact CB-NH2 3.27Å; H69-T183 WeakPolarHBondContact CA-OG1 3.22Å; H69-T183 PolarHBondContact O-N 2.97Å; H69-T183 PolarHBondContact O-OG1 2.77Å; H69-D184 HydrophobicContact CB-CB 4.15Å; H69-D184 WeakPolarHBondContact CB-OD2 3.43Å; H69-D184 IonicContact CD2-OD2 2.65Å; H69-D184 IonicContact CG-OD2 3.95Å; H69-D184 VanDerWaalsContact CG-OD2 3.32Å; H69-D184 IonicContact ND1-OD2 3.9Å; H69-D184 PolarHBondContact ND1-OD2 2.84Å; H69-T214 WeakPolarHBondContact CA-OG1 3.22Å; H69-T214 HydrophobicContact CB-CG2 3.38Å; H69-T214 PolarHBondContact N-OG1 3.08Å
70	H	59	Low	53.2	Low	9 Å²	9	88.2 Å²	88.2	4%	0.042	46%	0.463	C	S	.	.			trans	88.3	112.3	157.5	-37.9	-82.1	0	0	0	124.8	K68 R182 N209 L212 D213 T214	K68-H70 PolarHBondContact O-CD2 2.03Å; K68-H70 PolarHBondContact O-NE2 3.27Å; H70-R182 WeakPolarHBondContact O-CA 3.26Å; H70-R182 VanDerWaalsContact O-CG 3.28Å; H70-R182 WeakPolarHBondContact O-CG 3.19Å; H70-N209 PolarHBondContact CD2-OD1 2.8Å; H70-N209 WeakPolarHBondContact NE2-CB 2.96Å; H70-N209 PolarHBondContact NE2-ND2 3.06Å; H70-N209 PolarHBondContact NE2-OD1 2.84Å; H70-L212 VanDerWaalsContact CB-C 3.41Å; H70-L212 HydrophobicContact CB-CB 3.08Å; H70-L212 HydrophobicContact CB-CD1 4.28Å; H70-L212 HydrophobicContact CB-CG 4.3Å; H70-L212 PolarHBondContact CE1-O 3.23Å; H70-L212 VanDerWaalsContact CG-O 3.25Å; H70-L212 VanDerWaalsContact ND1-C 3.26Å; H70-L212 PolarHBondContact ND1-O 3.11Å; H70-D213 WeakPolarHBondContact ND1-CA 3.38Å; H70-T214 VanDerWaalsContact CA-N 3.3Å; H70-T214 PolarHBondContact N-OG1 3.37Å
71	T	75.6	Confident	55.4	Low	1 Å²	1	85.1 Å²	85.1	1%	0.006	44%	0.44	C	S	.	.			trans	-141.5	-27.2	166.7	55.3	0	0	0	0	115.8	F177 E179 R182 D213	T71-F177 PolarHBondContact O-N 2.9Å; T71-E179 WeakPolarHBondContact CG2-OE2 3.47Å; T71-R182 HydrophobicContact CG2-CG 3.15Å; T71-D213 PolarHBondContact N-O 3.15Å
72	A	75.6	Confident	57.9	Low	0 Å²	0	79.2 Å²	79.2	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	164.4	174.3	0	0	0	0	0	110	N74 G175 F176 L212 D213 L215 L266	A72-N74 PolarHBondContact O-N 2.94Å; A72-G175 CarbonylContact C-O 3.54Å; A72-G175 WeakPolarHBondContact CA-O 3.22Å; A72-F176 HydrophobicContact CB-CD1 3.96Å; A72-F176 HydrophobicContact CB-CE1 3.6Å; A72-F176 HydrophobicContact CB-CZ 4.23Å; A72-L212 CarbonylContact O-C 3.51Å; A72-L212 VanDerWaalsContact O-C 3.23Å; A72-L212 WeakPolarHBondContact O-CA 3.36Å; A72-D213 WeakPolarHBondContact CB-O 3.01Å; A72-D213 PolarHBondContact N-O 3.44Å; A72-D213 PolarHBondContact O-N 3.31Å; A72-L215 HydrophobicContact CB-CD1 3.93Å; A72-L215 HydrophobicContact CB-CG 4.15Å; A72-L266 HydrophobicContact CB-CD1 4.16Å; A72-L266 HydrophobicContact CB-CD2 4.15Å
73	V	73.4	Confident	60.8	Low	1 Å²	1	71.6 Å²	71.6	1%	0.006	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	136	165.8	-72	0	0	0	0	110.1	L75 K81 L82 V144 G175 F177	V73-L75 HydrophobicContact CG2-CD2 4.02Å; V73-L75 PolarHBondContact O-N 3.12Å; V73-K81 HydrophobicContact CG1-CB 4.48Å; V73-K81 HydrophobicContact CG2-CB 4.2Å; V73-L82 HydrophobicContact CG2-CD2 4.37Å; V73-V144 HydrophobicContact CG1-CG1 3.71Å; V73-G175 PolarHBondContact N-O 3.29Å; V73-F177 HydrophobicContact CG1-CE2 3.83Å
74	N	70.9	Confident	63.8	Low	17 Å²	17	69.4 Å²	69.4	9%	0.091	37%	0.367	C	S	.	.			trans	-73.3	113.2	170.9	-173	-21.7	0	0	0	109.6	A72 D76 T77 F78 N209 V211	A72-N74 PolarHBondContact O-N 2.94Å; N74-D76 VanDerWaalsContact C-N 3.29Å; N74-D76 PolarHBondContact O-N 2.02Å; N74-D76 VanDerWaalsContact OD1-CB 3.3Å; N74-D76 WeakPolarHBondContact OD1-CB 3.05Å; N74-D76 PolarHBondContact OD1-N 3.26Å; N74-T77 PolarHBondContact O-N 3.29Å; N74-F78 PolarHBondContact O-N 3.19Å; N74-N209 PolarHBondContact ND2-O 3.27Å; N74-V211 PolarHBondContact N-O 2.93Å
75	L	73.6	Confident	66.5	Low	54 Å²	54	70.7 Å²	70.7	28%	0.283	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-20.2	-178.9	-59.1	-177.6	0	0	0	113.9	V73 T77 P79 L82 L266	V73-L75 HydrophobicContact CG2-CD2 4.02Å; V73-L75 PolarHBondContact O-N 3.12Å; L75-T77 VanDerWaalsContact C-N 3.25Å; L75-P79 WeakPolarHBondContact O-CA 3.34Å; L75-L82 HydrophobicContact CD1-CD1 3.73Å; L75-L82 HydrophobicContact CD1-CG 4.47Å; L75-L82 HydrophobicContact CD2-CD1 3.78Å; L75-L82 HydrophobicContact CD2-CD2 3.88Å; L75-L82 HydrophobicContact CD2-CG 3.56Å; L75-L82 HydrophobicContact CG-CD1 4.43Å; L75-L266 HydrophobicContact CD1-CD1 3.89Å; L75-L266 HydrophobicContact CD2-CD1 4.27Å; L75-L266 HydrophobicContact CG-CD1 4.07Å
76	D	62.9	Low	69.4	Low	156 Å²	156	65.5 Å²	65.5	83%	0.834	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.2	173.1	-62.4	-27.4	0	0	0	110.5	N74	N74-D76 VanDerWaalsContact C-N 3.29Å; N74-D76 PolarHBondContact O-N 2.02Å; N74-D76 VanDerWaalsContact OD1-CB 3.3Å; N74-D76 WeakPolarHBondContact OD1-CB 3.05Å; N74-D76 PolarHBondContact OD1-N 3.26Å
77	T	56.9	Low	72.2	Confident	67 Å²	67	63.2 Å²	63.2	41%	0.411	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-34.4	178.6	-55.7	0	0	0	0	112.2	N74 L75 N210	N74-T77 PolarHBondContact O-N 3.29Å; L75-T77 VanDerWaalsContact C-N 3.25Å; T77-N210 WeakPolarHBondContact CB-O 3.22Å; T77-N210 WeakPolarHBondContact CG2-O 3.2Å; T77-N210 PolarHBondContact OG1-O 3.03Å
78	F	69.3	Low	75.3	Confident	55 Å²	55	58.3 Å²	58.3	24%	0.241	29%	0.292	C	S	.	.			trans	-129.5	67	-175.2	-56.4	-66.7	0	0	0	112.4	N74 D80 K81 V211	N74-F78 PolarHBondContact O-N 3.19Å; F78-D80 PolarHBondContact O-N 3.27Å; F78-K81 HydrophobicContact CB-CB 4.17Å; F78-K81 HydrophobicContact CB-CG 3.53Å; F78-K81 HydrophobicContact CG-CG 4.21Å; F78-K81 PolarHBondContact O-N 2.84Å; F78-V211 HydrophobicContact CE2-CG1 4.31Å
79	P	71.6	Confident	78.3	Confident	86 Å²	86	52.3 Å²	52.3	56%	0.558	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-61.9	-29.3	-174.8	24.8	-34.8	0	0	0	112.9	L75	L75-P79 WeakPolarHBondContact O-CA 3.34Å
80	D	73.8	Confident	80.7	Confident	116 Å²	116	51.1 Å²	51.1	62%	0.62	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-87.3	-5	-175	-64.8	-47.7	0	0	0	114.3	F78 L82 R146	F78-D80 PolarHBondContact O-N 3.27Å; D80-L82 PolarHBondContact O-N 3.48Å; D80-R146 VanDerWaalsContact O-CZ 3.28Å; D80-R146 PolarHBondContact O-NE 2.83Å; D80-R146 PolarHBondContact O-NH2 2.71Å
81	K	82.4	Confident	82.6	Confident	44 Å²	44	53.2 Å²	53.2	19%	0.191	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-74.2	-7.9	-175.9	-73	-71.9	-171.6	174.4	0	113.9	V73 F78 G145 R146	V73-K81 HydrophobicContact CG1-CB 4.48Å; V73-K81 HydrophobicContact CG2-CB 4.2Å; F78-K81 HydrophobicContact CB-CB 4.17Å; F78-K81 HydrophobicContact CB-CG 3.53Å; F78-K81 HydrophobicContact CG-CG 4.21Å; F78-K81 PolarHBondContact O-N 2.84Å; K81-G145 CarbonylContact O-C 3.37Å; K81-G145 WeakPolarHBondContact O-CA 3.39Å; K81-R146 WeakPolarHBondContact CD-O 3.44Å; K81-R146 PolarHBondContact O-N 3.27Å
82	L	89.9	Confident	83.6	Confident	37 Å²	37	55 Å²	55	19%	0.194	28%	0.282	C	S	.	.	S	Bend	trans	-83.4	147.6	175	-62.3	-171	0	0	0	112.3	V73 L75 D80 R146 L266 Y267	V73-L82 HydrophobicContact CG2-CD2 4.37Å; L75-L82 HydrophobicContact CD1-CD1 3.73Å; L75-L82 HydrophobicContact CD1-CG 4.47Å; L75-L82 HydrophobicContact CD2-CD1 3.78Å; L75-L82 HydrophobicContact CD2-CD2 3.88Å; L75-L82 HydrophobicContact CD2-CG 3.56Å; L75-L82 HydrophobicContact CG-CD1 4.43Å; D80-L82 PolarHBondContact O-N 3.48Å; L82-R146 PolarHBondContact O-NE 2.92Å; L82-L266 HydrophobicContact CD2-CD1 4.3Å; L82-L266 HydrophobicContact CD2-CD2 3.84Å; L82-L266 HydrophobicContact CD2-CG 3.85Å; L82-Y267 HydrophobicContact CB-CE1 4.4Å; L82-Y267 HydrophobicContact CD2-CE1 4.45Å; L82-Y267 HydrophobicContact CD2-CE2 4.04Å
83	W	93.6	Very high	84.6	Confident	7 Å²	7	55.6 Å²	55.6	3%	0.027	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-78.6	127.6	168.6	-67.8	90.5	0	0	0	109.6	H85 G86 V88 D128 I130 R146 Q151 V173 Y267	W83-H85 PolarHBondContact O-N 2.91Å; W83-G86 PolarHBondContact O-N 3.46Å; W83-V88 HydrophobicContact CB-CG2 4.01Å; W83-V88 HydrophobicContact CD2-CB 4.36Å; W83-V88 HydrophobicContact CD2-CG1 4.06Å; W83-V88 HydrophobicContact CD2-CG2 4.01Å; W83-V88 HydrophobicContact CE3-CG1 4.27Å; W83-V88 HydrophobicContact CG-CG2 3.72Å; W83-V88 HydrophobicContact CH2-CG1 4.37Å; W83-V88 HydrophobicContact CZ2-CG1 4.13Å; W83-V88 HydrophobicContact CZ3-CG1 4.44Å; W83-D128 HydrophobicContact CH2-CB 4.45Å; W83-D128 HydrophobicContact CZ3-CB 4.02Å; W83-I130 HydrophobicContact CH2-CG2 3.93Å; W83-I130 HydrophobicContact CZ2-CG2 3.65Å; W83-R146 HydrophobicContact CD2-CB 4.01Å; W83-R146 HydrophobicContact CD2-CG 4.1Å; W83-R146 HydrophobicContact CE3-CG 4.11Å; W83-R146 HydrophobicContact CG-CB 4.27Å; W83-R146 HydrophobicContact CH2-CG 4.15Å; W83-R146 HydrophobicContact CZ2-CB 4.21Å; W83-R146 HydrophobicContact CZ2-CG 4.15Å; W83-R146 HydrophobicContact CZ3-CG 4.13Å; W83-Q151 HydrophobicContact CZ2-CG 4.38Å; W83-V173 HydrophobicContact CZ2-CG1 3.97Å; W83-V173 PolarHBondContact NE1-O 3.32Å; W83-Y267 HydrophobicContact CB-CE1 4.16Å; W83-Y267 WeakPolarHBondContact O-CE1 3.37Å
84	N	91.3	Very high	85.7	Confident	118 Å²	118	61.9 Å²	61.9	63%	0.631	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-58.6	126.4	-174.3	-165.7	11	0	0	0	111	G86 R87	N84-G86 PolarHBondContact O-N 3.12Å; N84-G86 VanDerWaalsContact O-N 3.08Å; N84-R87 PolarHBondContact O-N 3.5Å
85	H	90	Very high	86.9	Confident	165 Å²	165	64.6 Å²	64.6	76%	0.764	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	51.5	25.5	-175.4	-51.9	138	0	0	0	115.3	W83 R87	W83-H85 PolarHBondContact O-N 2.91Å; H85-R87 PolarHBondContact O-N 3.15Å
86	G	94.1	Very high	88	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	68.1	11.6	-176.8	0	0	0	0	0	114.4	W83 N84 I117 H118	W83-G86 PolarHBondContact O-N 3.46Å; N84-G86 PolarHBondContact O-N 3.12Å; N84-G86 VanDerWaalsContact O-N 3.08Å; G86-I117 WeakPolarHBondContact O-CA 3.16Å; G86-H118 PolarHBondContact O-N 3.38Å
87	R	96.8	Very high	89.5	Confident	94 Å²	94	58.2 Å²	58.2	36%	0.355	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	115.8	176.9	-177.1	175.2	171.3	-77.3	-8.5	109.3	N84 H85 P89 V120 D126	N84-R87 PolarHBondContact O-N 3.5Å; H85-R87 PolarHBondContact O-N 3.15Å; R87-P89 WeakPolarHBondContact O-CD 3.32Å; R87-V120 HydrophobicContact CG-CG2 3.64Å; R87-D126 IonicContact CZ-OD1 3.43Å; R87-D126 IonicContact CZ-OD2 3.71Å; R87-D126 IonicContact NH1-OD1 2.66Å; R87-D126 PolarHBondContact NH1-OD1 2.91Å; R87-D126 IonicContact NH1-OD2 3.63Å; R87-D126 IonicContact NH2-OD1 3.5Å; R87-D126 PolarHBondContact NH2-OD1 2.91Å; R87-D126 IonicContact NH2-OD2 3.18Å; R87-D126 PolarHBondContact NH2-OD2 2.69Å
88	V	98.2	Very high	91.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	99.9	179.8	-172.5	0	0	0	0	109.4	W83 I117 H118 F119 V120 I130 V173 L174	W83-V88 HydrophobicContact CB-CG2 4.01Å; W83-V88 HydrophobicContact CD2-CB 4.36Å; W83-V88 HydrophobicContact CD2-CG1 4.06Å; W83-V88 HydrophobicContact CD2-CG2 4.01Å; W83-V88 HydrophobicContact CE3-CG1 4.27Å; W83-V88 HydrophobicContact CG-CG2 3.72Å; W83-V88 HydrophobicContact CH2-CG1 4.37Å; W83-V88 HydrophobicContact CZ2-CG1 4.13Å; W83-V88 HydrophobicContact CZ3-CG1 4.44Å; V88-I117 HydrophobicContact CG2-CG2 4.28Å; V88-H118 PolarHBondContact N-O 3.39Å; V88-F119 HydrophobicContact CB-CD1 3.72Å; V88-F119 HydrophobicContact CB-CE1 3.82Å; V88-F119 HydrophobicContact CG1-CD1 3.84Å; V88-F119 HydrophobicContact CG1-CE1 3.77Å; V88-F119 HydrophobicContact CG2-CD1 4.4Å; V88-F119 HydrophobicContact CG2-CE1 4.08Å; V88-F119 WeakPolarHBondContact O-CA 3.5Å; V88-V120 PolarHBondContact O-N 3.45Å; V88-I130 HydrophobicContact CG1-CD1 3.99Å; V88-I130 HydrophobicContact CG1-CG1 4.21Å; V88-I130 HydrophobicContact CG1-CG2 3.99Å; V88-V173 HydrophobicContact CG1-CG1 3.94Å; V88-L174 HydrophobicContact CG2-CD2 3.96Å
89	P	98.2	Very high	92.4	Very high	4 Å²	4	63 Å²	63	3%	0.026	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	136.8	175.6	-19.5	34.3	0	0	0	111	R87 V120 K122 D126 Y129 I130	R87-P89 WeakPolarHBondContact O-CD 3.32Å; P89-V120 CarbonylContact C-O 3.57Å; P89-V120 VanDerWaalsContact CA-O 3.24Å; P89-V120 WeakPolarHBondContact CA-O 3.33Å; P89-K122 HydrophobicContact CB-CB 4.4Å; P89-K122 HydrophobicContact CB-CG 4.42Å; P89-D126 HydrophobicContact CB-CB 4Å; P89-D126 HydrophobicContact CG-CB 4.02Å; P89-Y129 CarbonylContact O-C 3.44Å; P89-Y129 VanDerWaalsContact O-CA 3.27Å; P89-Y129 WeakPolarHBondContact O-CA 3.1Å; P89-Y129 WeakPolarHBondContact O-CB 3.31Å; P89-I130 PolarHBondContact O-N 2.92Å
90	Y	98.4	Very high	93.5	Very high	42 Å²	42	59.4 Å²	59.4	17%	0.165	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.9	178.7	72.5	-97.4	0	0	0	113.5	L92 F108 F119 V120 P121 K122 I130	Y90-L92 HydrophobicContact CD2-CD2 3.67Å; Y90-L92 HydrophobicContact CD2-CG 3.72Å; Y90-L92 HydrophobicContact CE2-CD1 3.94Å; Y90-L92 HydrophobicContact CE2-CD2 3.88Å; Y90-L92 HydrophobicContact CE2-CG 3.62Å; Y90-F108 AromaticContact CD1-CE2 3.77Å; Y90-F108 HydrophobicContact CD1-CE2 3.77Å; Y90-F108 AromaticContact CD1-CZ 3.98Å; Y90-F108 HydrophobicContact CD1-CZ 3.98Å; Y90-F108 HydrophobicContact CD2-CE2 4.36Å; Y90-F108 HydrophobicContact CE1-CD2 4.15Å; Y90-F108 AromaticContact CE1-CE2 3.5Å; Y90-F108 HydrophobicContact CE1-CE2 3.5Å; Y90-F108 HydrophobicContact CE1-CZ 4.2Å; Y90-F108 HydrophobicContact CE2-CE2 4.15Å; Y90-F108 HydrophobicContact CG-CE2 4.19Å; Y90-F108 HydrophobicContact CG-CZ 4.17Å; Y90-F108 AromaticContact CZ-CE2 3.72Å; Y90-F119 HydrophobicContact CD1-CB 3.96Å; Y90-F119 HydrophobicContact CE1-CB 4.19Å; Y90-V120 WeakPolarHBondContact CD1-O 3.49Å; Y90-V120 PolarHBondContact N-O 2.87Å; Y90-P121 HydrophobicContact CE1-CG 4.41Å; Y90-K122 WeakPolarHBondContact O-CB 3.47Å; Y90-K122 PolarHBondContact O-N 3.12Å; Y90-I130 CarbonylContact C-O 3.3Å; Y90-I130 VanDerWaalsContact CA-O 3.27Å; Y90-I130 WeakPolarHBondContact CA-O 3.36Å
91	V	97.9	Very high	94.5	Very high	53 Å²	53	57.9 Å²	57.9	32%	0.321	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.8	164.3	179.2	0	0	0	0	107.8	K122 Y129 I130 L131 I132	V91-K122 HydrophobicContact CG2-CB 3.67Å; V91-K122 HydrophobicContact CG2-CD 3.62Å; V91-K122 HydrophobicContact CG2-CG 4.23Å; V91-Y129 HydrophobicContact CB-CD2 4.4Å; V91-Y129 HydrophobicContact CB-CE2 4.4Å; V91-Y129 HydrophobicContact CG2-CD2 3.75Å; V91-Y129 HydrophobicContact CG2-CE2 3.79Å; V91-I130 PolarHBondContact N-O 3.46Å; V91-L131 HydrophobicContact CB-CD1 4.05Å; V91-L131 HydrophobicContact CG1-CD1 3.93Å; V91-I132 PolarHBondContact O-N 3.15Å
92	L	97.6	Very high	95.1	Very high	40 Å²	40	58.9 Å²	58.9	21%	0.209	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.7	177.2	-64.2	-174.4	0	0	0	110	Y90 V94 L96 L104 I132	Y90-L92 HydrophobicContact CD2-CD2 3.67Å; Y90-L92 HydrophobicContact CD2-CG 3.72Å; Y90-L92 HydrophobicContact CE2-CD1 3.94Å; Y90-L92 HydrophobicContact CE2-CD2 3.88Å; Y90-L92 HydrophobicContact CE2-CG 3.62Å; L92-V94 PolarHBondContact O-N 2.03Å; L92-L96 HydrophobicContact CB-CD1 3.91Å; L92-L96 HydrophobicContact CD2-CD1 4.14Å; L92-L96 HydrophobicContact CG-CD1 4.44Å; L92-L104 HydrophobicContact CD2-CD1 4.02Å; L92-I132 HydrophobicContact CD2-CB 3.93Å; L92-I132 HydrophobicContact CD2-CD1 3.58Å; L92-I132 HydrophobicContact CD2-CG1 4.31Å; L92-I132 HydrophobicContact CD2-CG2 4.38Å
93	D	96.6	Very high	95.4	Very high	12 Å²	12	57.2 Å²	57.2	6%	0.064	30%	0.299	C	S	.	.			trans	-57.2	129.9	167.4	-167.6	-48.1	0	0	0	110	T95 L96 R101 I132 K133 R134	D93-T95 VanDerWaalsContact CG-OG1 3.31Å; D93-T95 PolarHBondContact O-N 2.97Å; D93-T95 VanDerWaalsContact O-N 3.12Å; D93-T95 WeakPolarHBondContact OD1-CB 3.45Å; D93-T95 WeakPolarHBondContact OD1-CG2 3.4Å; D93-T95 PolarHBondContact OD1-N 2.78Å; D93-T95 PolarHBondContact OD1-OG1 3.3Å; D93-L96 HydrophobicContact CB-CD1 4.4Å; D93-L96 HydrophobicContact CB-CG 4.24Å; D93-L96 WeakPolarHBondContact O-CB 3.24Å; D93-L96 WeakPolarHBondContact O-CG 3.05Å; D93-L96 PolarHBondContact O-N 3.14Å; D93-L96 VanDerWaalsContact O-N 3.15Å; D93-R101 PolarHBondContact O-NH2 3.13Å; D93-I132 WeakPolarHBondContact CB-O 3.35Å; D93-I132 PolarHBondContact N-O 3.46Å; D93-K133 VanDerWaalsContact OD2-CD 3.24Å; D93-K133 WeakPolarHBondContact OD2-CD 3.41Å; D93-K133 WeakPolarHBondContact OD2-CE 3.47Å; D93-K133 IonicContact OD2-NZ 3.75Å; D93-K133 PolarHBondContact OD2-NZ 3.19Å; D93-R134 HydrophobicContact CB-CB 4.27Å
94	V	96.3	Very high	95.5	Very high	133 Å²	133	57 Å²	57	81%	0.806	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.6	-179.4	-62.4	0	0	0	0	112.7	L92 L96	L92-V94 PolarHBondContact O-N 2.03Å; V94-L96 VanDerWaalsContact C-N 3.35Å
95	T	96.7	Very high	95.7	Very high	74 Å²	74	54.1 Å²	54.1	45%	0.454	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-0.1	-179.2	67	0	0	0	0	114.7	D93 V97 R134	D93-T95 VanDerWaalsContact CG-OG1 3.31Å; D93-T95 PolarHBondContact O-N 2.97Å; D93-T95 VanDerWaalsContact O-N 3.12Å; D93-T95 WeakPolarHBondContact OD1-CB 3.45Å; D93-T95 WeakPolarHBondContact OD1-CG2 3.4Å; D93-T95 PolarHBondContact OD1-N 2.78Å; D93-T95 PolarHBondContact OD1-OG1 3.3Å; T95-V97 PolarHBondContact O-N 3.22Å; T95-R134 VanDerWaalsContact O-CD 3.3Å; T95-R134 WeakPolarHBondContact O-CD 3.34Å
96	L	95.1	Very high	96	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.042	28%	0.276	C	S	.	.			trans	-65	126.1	174.4	-73.2	167	0	0	0	111.2	L92 D93 V94 E100 R101 L104 I132 R134 F161	L92-L96 HydrophobicContact CB-CD1 3.91Å; L92-L96 HydrophobicContact CD2-CD1 4.14Å; L92-L96 HydrophobicContact CG-CD1 4.44Å; D93-L96 HydrophobicContact CB-CD1 4.4Å; D93-L96 HydrophobicContact CB-CG 4.24Å; D93-L96 WeakPolarHBondContact O-CB 3.24Å; D93-L96 WeakPolarHBondContact O-CG 3.05Å; D93-L96 PolarHBondContact O-N 3.14Å; D93-L96 VanDerWaalsContact O-N 3.15Å; V94-L96 VanDerWaalsContact C-N 3.35Å; L96-E100 WeakPolarHBondContact CA-OE2 3.1Å; L96-E100 HydrophobicContact CD2-CB 4.02Å; L96-E100 WeakPolarHBondContact CD2-OE2 3.49Å; L96-R101 HydrophobicContact CB-CG 4.09Å; L96-R101 PolarHBondContact O-NE 2.88Å; L96-R101 PolarHBondContact O-NH2 3.38Å; L96-L104 HydrophobicContact CD1-CD1 3.81Å; L96-L104 HydrophobicContact CD2-CD1 4.47Å; L96-I132 HydrophobicContact CD1-CG2 4.36Å; L96-R134 HydrophobicContact CD2-CB 4Å; L96-R134 HydrophobicContact CD2-CG 4.28Å; L96-R134 HydrophobicContact CG-CB 4.42Å; L96-F161 HydrophobicContact CD2-CD1 4.46Å; L96-F161 HydrophobicContact CD2-CE1 3.34Å; L96-F161 HydrophobicContact CD2-CZ 3.38Å
97	V	95.3	Very high	96.1	Very high	67 Å²	67	50.8 Å²	50.8	41%	0.406	28%	0.276	S	S	.	.			trans	-82.9	166	176.5	-56.2	0	0	0	0	111.5	T95 S99 E100 R101	T95-V97 PolarHBondContact O-N 3.22Å; V97-S99 PolarHBondContact O-N 3.04Å; V97-E100 HydrophobicContact CG2-CB 4.2Å; V97-E100 HydrophobicContact CG2-CG 3.62Å; V97-E100 PolarHBondContact N-OE2 3.23Å; V97-E100 VanDerWaalsContact N-OE2 3.08Å; V97-E100 WeakPolarHBondContact O-CB 3.05Å; V97-E100 PolarHBondContact O-N 3.04Å; V97-E100 VanDerWaalsContact O-N 3.1Å; V97-R101 WeakPolarHBondContact O-CG 3.45Å; V97-R101 PolarHBondContact O-N 3.24Å
98	E	93.2	Very high	96.2	Very high	136 Å²	136	47.6 Å²	47.6	64%	0.636	27%	0.265	S	S	*	.	H	α-helix	trans	-57.5	-44.8	-172.8	-170	55.8	-149.3	0	0	113.5	E100 R101 V102	E98-E100 VanDerWaalsContact C-N 3.29Å; E98-E100 PolarHBondContact O-N 3.41Å; E98-R101 WeakPolarHBondContact O-CB 3.49Å; E98-R101 PolarHBondContact O-N 3.31Å; E98-R101 VanDerWaalsContact O-N 3.15Å; E98-V102 WeakPolarHBondContact O-CG2 3.47Å; E98-V102 PolarHBondContact O-N 3.18Å
99	S	93.5	Very high	96.1	Very high	87 Å²	87	51.1 Å²	51.1	61%	0.608	29%	0.29	S	S	*	.	H	α-helix	trans	-61.8	-35.7	178.2	54.7	0	0	0	0	113.2	V97 A103	V97-S99 PolarHBondContact O-N 3.04Å; S99-A103 PolarHBondContact O-N 2.86Å; S99-A103 VanDerWaalsContact O-N 3.1Å
100	E	95.9	Very high	96	Very high	11 Å²	11	51.2 Å²	51.2	5%	0.051	29%	0.29	C	S	.	.	H	α-helix	trans	-70.3	-38.7	176.5	-64.2	171	171.3	0	0	110.9	L96 V97 E98 A103 L104 R134 F161	L96-E100 WeakPolarHBondContact CA-OE2 3.1Å; L96-E100 HydrophobicContact CD2-CB 4.02Å; L96-E100 WeakPolarHBondContact CD2-OE2 3.49Å; V97-E100 HydrophobicContact CG2-CB 4.2Å; V97-E100 HydrophobicContact CG2-CG 3.62Å; V97-E100 PolarHBondContact N-OE2 3.23Å; V97-E100 VanDerWaalsContact N-OE2 3.08Å; V97-E100 WeakPolarHBondContact O-CB 3.05Å; V97-E100 PolarHBondContact O-N 3.04Å; V97-E100 VanDerWaalsContact O-N 3.1Å; E98-E100 VanDerWaalsContact C-N 3.29Å; E98-E100 PolarHBondContact O-N 3.41Å; E100-A103 PolarHBondContact O-N 3.34Å; E100-L104 WeakPolarHBondContact O-CG 3.03Å; E100-L104 PolarHBondContact O-N 3.39Å; E100-R134 VanDerWaalsContact CD-NE 3.3Å; E100-R134 IonicContact OE1-CZ 3.51Å; E100-R134 IonicContact OE1-NE 3.43Å; E100-R134 PolarHBondContact OE1-NE 2.93Å; E100-R134 IonicContact OE1-NH2 3.55Å; E100-R134 PolarHBondContact OE1-NH2 3.32Å; E100-R134 WeakPolarHBondContact OE2-CD 3.28Å; E100-R134 IonicContact OE2-CZ 3.41Å; E100-R134 IonicContact OE2-NE 2.95Å; E100-R134 PolarHBondContact OE2-NE 2.87Å; E100-R134 IonicContact OE2-NH2 2.95Å; E100-F161 HydrophobicContact CB-CB 4.46Å; E100-F161 HydrophobicContact CB-CD1 3.52Å; E100-F161 HydrophobicContact CB-CE1 3.78Å; E100-F161 HydrophobicContact CB-CG 3.92Å; E100-F161 HydrophobicContact CB-CZ 4.37Å; E100-F161 HydrophobicContact CG-CB 4.02Å; E100-F161 HydrophobicContact CG-CD1 3.72Å; E100-F161 HydrophobicContact CG-CD2 3.82Å; E100-F161 HydrophobicContact CG-CE1 4.09Å; E100-F161 HydrophobicContact CG-CE2 4.17Å; E100-F161 HydrophobicContact CG-CG 3.57Å; E100-F161 HydrophobicContact CG-CZ 4.29Å
101	R	94.7	Very high	96	Very high	84 Å²	84	49.2 Å²	49.2	32%	0.317	28%	0.282	S	S	.	.	H	α-helix	trans	-65.1	-40.3	174.1	-67.6	175	-178.9	-84.3	-4.8	112.1	D93 L96 V97 E98 L104 A105	D93-R101 PolarHBondContact O-NH2 3.13Å; L96-R101 HydrophobicContact CB-CG 4.09Å; L96-R101 PolarHBondContact O-NE 2.88Å; L96-R101 PolarHBondContact O-NH2 3.38Å; V97-R101 WeakPolarHBondContact O-CG 3.45Å; V97-R101 PolarHBondContact O-N 3.24Å; E98-R101 WeakPolarHBondContact O-CB 3.49Å; E98-R101 PolarHBondContact O-N 3.31Å; E98-R101 VanDerWaalsContact O-N 3.15Å; R101-L104 WeakPolarHBondContact O-CB 3.19Å; R101-L104 PolarHBondContact O-N 2.83Å; R101-A105 WeakPolarHBondContact O-CB 3.41Å; R101-A105 PolarHBondContact O-N 3.24Å
102	V	94.5	Very high	96	Very high	64 Å²	64	48.2 Å²	48.2	39%	0.388	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-44.7	174.1	171.4	0	0	0	0	110.8	E98 L104 A105 Q106	E98-V102 WeakPolarHBondContact O-CG2 3.47Å; E98-V102 PolarHBondContact O-N 3.18Å; V102-L104 VanDerWaalsContact C-N 3.33Å; V102-L104 PolarHBondContact O-N 3.04Å; V102-A105 PolarHBondContact O-N 3.5Å; V102-Q106 HydrophobicContact CG1-CG 4.49Å; V102-Q106 VanDerWaalsContact O-CG 3.31Å; V102-Q106 WeakPolarHBondContact O-CG 2.99Å; V102-Q106 PolarHBondContact O-N 3.25Å
103	A	94.9	Very high	95.9	Very high	2 Å²	2	51.3 Å²	51.3	2%	0.017	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-40.4	177	0	0	0	0	0	112.4	S99 E100 Q106 A107 I166	S99-A103 PolarHBondContact O-N 2.86Å; S99-A103 VanDerWaalsContact O-N 3.1Å; E100-A103 PolarHBondContact O-N 3.34Å; A103-Q106 PolarHBondContact O-N 2.7Å; A103-A107 PolarHBondContact O-N 3.11Å; A103-I166 HydrophobicContact CB-CD1 3.78Å
104	L	96.4	Very high	95.8	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-47.3	173.2	-75.2	166	0	0	0	111.9	L92 L96 E100 R101 V102 Q106 A107 F108 I132 L155 I166	L92-L104 HydrophobicContact CD2-CD1 4.02Å; L96-L104 HydrophobicContact CD1-CD1 3.81Å; L96-L104 HydrophobicContact CD2-CD1 4.47Å; E100-L104 WeakPolarHBondContact O-CG 3.03Å; E100-L104 PolarHBondContact O-N 3.39Å; R101-L104 WeakPolarHBondContact O-CB 3.19Å; R101-L104 PolarHBondContact O-N 2.83Å; V102-L104 VanDerWaalsContact C-N 3.33Å; V102-L104 PolarHBondContact O-N 3.04Å; L104-Q106 VanDerWaalsContact C-N 3.31Å; L104-Q106 PolarHBondContact O-N 3.31Å; L104-A107 PolarHBondContact O-N 3.48Å; L104-A107 VanDerWaalsContact O-N 3.14Å; L104-F108 WeakPolarHBondContact O-CG 3.33Å; L104-F108 PolarHBondContact O-N 2.95Å; L104-I132 HydrophobicContact CD1-CG2 3.93Å; L104-I132 HydrophobicContact CD2-CD1 3.95Å; L104-I132 HydrophobicContact CD2-CG2 3.93Å; L104-L155 HydrophobicContact CD2-CD1 4.05Å; L104-I166 HydrophobicContact CD2-CD1 3.94Å; L104-I166 HydrophobicContact CD2-CG1 4.3Å; L104-I166 HydrophobicContact CD2-CG2 3.77Å; L104-I166 HydrophobicContact CG-CD1 4.05Å
105	A	95.2	Very high	95.9	Very high	57 Å²	57	47 Å²	47	47%	0.471	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-39	178.9	0	0	0	0	0	112.1	R101 V102 F108 S109	R101-A105 WeakPolarHBondContact O-CB 3.41Å; R101-A105 PolarHBondContact O-N 3.24Å; V102-A105 PolarHBondContact O-N 3.5Å; A105-F108 PolarHBondContact O-N 2.92Å; A105-S109 VanDerWaalsContact O-CB 3.25Å; A105-S109 WeakPolarHBondContact O-CB 3.49Å; A105-S109 PolarHBondContact O-N 3.18Å
106	Q	96	Very high	95.8	Very high	95 Å²	95	45.3 Å²	45.3	44%	0.444	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-41.9	174.1	-72.9	173.9	-15.6	0	0	112.2	V102 A103 L104 E110 K163	V102-Q106 HydrophobicContact CG1-CG 4.49Å; V102-Q106 VanDerWaalsContact O-CG 3.31Å; V102-Q106 WeakPolarHBondContact O-CG 2.99Å; V102-Q106 PolarHBondContact O-N 3.25Å; A103-Q106 PolarHBondContact O-N 2.7Å; L104-Q106 VanDerWaalsContact C-N 3.31Å; L104-Q106 PolarHBondContact O-N 3.31Å; Q106-E110 PolarHBondContact O-N 3.27Å; Q106-K163 HydrophobicContact CB-CB 4.31Å; Q106-K163 HydrophobicContact CB-CD 3.96Å; Q106-K163 HydrophobicContact CB-CG 3.82Å
107	A	97.5	Very high	96	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.3	-45.1	177.8	0	0	0	0	0	111.3	A103 L104 S109 E110 Y111 K163 I166 L170	A103-A107 PolarHBondContact O-N 3.11Å; L104-A107 PolarHBondContact O-N 3.48Å; L104-A107 VanDerWaalsContact O-N 3.14Å; A107-S109 VanDerWaalsContact C-N 3.33Å; A107-S109 PolarHBondContact O-N 3.28Å; A107-E110 WeakPolarHBondContact O-CB 3.35Å; A107-E110 PolarHBondContact O-N 3Å; A107-Y111 WeakPolarHBondContact O-CD2 3.25Å; A107-Y111 PolarHBondContact O-N 3.03Å; A107-Y111 VanDerWaalsContact O-N 3.15Å; A107-K163 HydrophobicContact CB-CG 4.21Å; A107-I166 HydrophobicContact CB-CB 3.92Å; A107-I166 HydrophobicContact CB-CG2 3.4Å; A107-I166 VanDerWaalsContact CB-CG2 3.4Å; A107-L170 HydrophobicContact CB-CD1 4.26Å
108	F	97.8	Very high	96.1	Very high	28 Å²	28	46.6 Å²	46.6	12%	0.123	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-43.7	175.4	-68.4	-8.3	0	0	0	112.2	Y90 L104 A105 E110 Y111 G112 F119 I132 L170	Y90-F108 AromaticContact CD1-CE2 3.77Å; Y90-F108 HydrophobicContact CD1-CE2 3.77Å; Y90-F108 AromaticContact CD1-CZ 3.98Å; Y90-F108 HydrophobicContact CD1-CZ 3.98Å; Y90-F108 HydrophobicContact CD2-CE2 4.36Å; Y90-F108 HydrophobicContact CE1-CD2 4.15Å; Y90-F108 AromaticContact CE1-CE2 3.5Å; Y90-F108 HydrophobicContact CE1-CE2 3.5Å; Y90-F108 HydrophobicContact CE1-CZ 4.2Å; Y90-F108 HydrophobicContact CE2-CE2 4.15Å; Y90-F108 HydrophobicContact CG-CE2 4.19Å; Y90-F108 HydrophobicContact CG-CZ 4.17Å; Y90-F108 AromaticContact CZ-CE2 3.72Å; L104-F108 WeakPolarHBondContact O-CG 3.33Å; L104-F108 PolarHBondContact O-N 2.95Å; A105-F108 PolarHBondContact O-N 2.92Å; F108-E110 VanDerWaalsContact C-N 3.32Å; F108-E110 PolarHBondContact O-N 3.22Å; F108-Y111 PolarHBondContact O-N 3.08Å; F108-G112 PolarHBondContact O-N 3.02Å; F108-F119 HydrophobicContact CB-CB 4.33Å; F108-F119 HydrophobicContact CB-CD2 4.32Å; F108-F119 HydrophobicContact CD1-CB 3.68Å; F108-F119 HydrophobicContact CD1-CD1 4.14Å; F108-F119 AromaticContact CD1-CD2 3.53Å; F108-F119 HydrophobicContact CD1-CD2 3.53Å; F108-F119 HydrophobicContact CD1-CE2 4.24Å; F108-F119 AromaticContact CD1-CG 3.49Å; F108-F119 HydrophobicContact CD1-CG 3.49Å; F108-F119 VanDerWaalsContact CD1-CG 3.49Å; F108-F119 HydrophobicContact CD2-CB 3.85Å; F108-F119 HydrophobicContact CE1-CB 3.77Å; F108-F119 AromaticContact CE1-CD1 3.77Å; F108-F119 HydrophobicContact CE1-CD1 3.77Å; F108-F119 HydrophobicContact CE1-CD2 4.04Å; F108-F119 HydrophobicContact CE1-CE1 4.42Å; F108-F119 AromaticContact CE1-CG 3.56Å; F108-F119 HydrophobicContact CE1-CG 3.56Å; F108-F119 HydrophobicContact CE2-CB 3.95Å; F108-F119 HydrophobicContact CG-CB 3.71Å; F108-F119 HydrophobicContact CG-CD2 4.07Å; F108-F119 HydrophobicContact CG-CG 4.01Å; F108-F119 HydrophobicContact CZ-CB 3.9Å; F108-F119 HydrophobicContact CZ-CD1 4.31Å; F108-F119 HydrophobicContact CZ-CG 4.14Å; F108-I132 HydrophobicContact CE1-CD1 4.17Å; F108-I132 HydrophobicContact CZ-CD1 3.54Å; F108-L170 HydrophobicContact CD1-CD1 3.63Å; F108-L170 HydrophobicContact CE1-CD1 3.58Å; F108-L170 HydrophobicContact CE1-CD2 4.2Å
109	S	96.3	Very high	96.3	Very high	74 Å²	74	41.1 Å²	41.1	52%	0.517	23%	0.228	S	C	.	.	H	α-helix	trans	-61.6	-40.3	176.3	-179.6	0	0	0	0	111.8	A105 A107 Y111 G112 R113	A105-S109 VanDerWaalsContact O-CB 3.25Å; A105-S109 WeakPolarHBondContact O-CB 3.49Å; A105-S109 PolarHBondContact O-N 3.18Å; A107-S109 VanDerWaalsContact C-N 3.33Å; A107-S109 PolarHBondContact O-N 3.28Å; S109-Y111 PolarHBondContact O-N 3Å; S109-G112 PolarHBondContact O-N 3.41Å; S109-R113 VanDerWaalsContact O-CB 3.28Å; S109-R113 WeakPolarHBondContact O-CB 3.43Å; S109-R113 PolarHBondContact O-N 2.96Å
110	E	97.3	Very high	96.5	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.028	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-44.8	176.1	179.3	167.8	-176.7	0	0	112.4	Q106 A107 F108 R113 K114 K163 Q254 L255	Q106-E110 PolarHBondContact O-N 3.27Å; A107-E110 WeakPolarHBondContact O-CB 3.35Å; A107-E110 PolarHBondContact O-N 3Å; F108-E110 VanDerWaalsContact C-N 3.32Å; F108-E110 PolarHBondContact O-N 3.22Å; E110-R113 PolarHBondContact O-N 2.88Å; E110-K114 HydrophobicContact CG-CD 3.9Å; E110-K114 VanDerWaalsContact O-CB 3.32Å; E110-K114 WeakPolarHBondContact O-CB 3.44Å; E110-K114 WeakPolarHBondContact O-CG 3.22Å; E110-K114 PolarHBondContact O-N 2.95Å; E110-K114 VanDerWaalsContact O-N 3.12Å; E110-K114 IonicContact OE1-NZ 3.31Å; E110-K114 PolarHBondContact OE1-NZ 2.66Å; E110-K163 WeakPolarHBondContact OE2-CD 3.23Å; E110-K163 WeakPolarHBondContact OE2-CE 3.27Å; E110-K163 IonicContact OE2-NZ 2.66Å; E110-K163 PolarHBondContact OE2-NZ 2.81Å; E110-Q254 VanDerWaalsContact OE1-CB 3.27Å; E110-Q254 WeakPolarHBondContact OE1-CB 3.41Å; E110-L255 HydrophobicContact CG-CD1 4.25Å; E110-L255 HydrophobicContact CG-CG 4.44Å; E110-L255 WeakPolarHBondContact OE1-CB 3.24Å; E110-L255 PolarHBondContact OE1-N 2.91Å
111	Y	98.1	Very high	96.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-50.6	174.3	-85.2	-79.9	0	0	0	112.2	A107 F108 S109 R113 K114 T115 I117 F119 A167 L170 M171 L174 L255 I263	A107-Y111 WeakPolarHBondContact O-CD2 3.25Å; A107-Y111 PolarHBondContact O-N 3.03Å; A107-Y111 VanDerWaalsContact O-N 3.15Å; F108-Y111 PolarHBondContact O-N 3.08Å; S109-Y111 PolarHBondContact O-N 3Å; Y111-R113 VanDerWaalsContact C-N 3.25Å; Y111-R113 PolarHBondContact O-N 3.23Å; Y111-K114 PolarHBondContact O-N 3Å; Y111-T115 WeakPolarHBondContact O-CA 3.09Å; Y111-T115 WeakPolarHBondContact O-CB 3.42Å; Y111-T115 PolarHBondContact O-N 3.4Å; Y111-T115 PolarHBondContact O-OG1 2.67Å; Y111-I117 HydrophobicContact CD1-CB 4.4Å; Y111-I117 HydrophobicContact CD1-CG2 4.48Å; Y111-F119 HydrophobicContact CD1-CE2 4.32Å; Y111-F119 AromaticContact CD2-CE2 3.67Å; Y111-F119 HydrophobicContact CD2-CE2 3.67Å; Y111-F119 HydrophobicContact CD2-CZ 4.37Å; Y111-F119 HydrophobicContact CE2-CE2 4.32Å; Y111-F119 AromaticContact CG-CE2 3.68Å; Y111-F119 HydrophobicContact CG-CE2 3.68Å; Y111-A167 HydrophobicContact CE2-CB 4.22Å; Y111-A167 PolarHBondContact OH-O 3.42Å; Y111-L170 HydrophobicContact CD2-CD1 4.28Å; Y111-L170 HydrophobicContact CE2-CB 3.68Å; Y111-L170 HydrophobicContact CE2-CD1 4.08Å; Y111-M171 VanDerWaalsContact OH-CA 3.23Å; Y111-M171 WeakPolarHBondContact OH-CA 3.43Å; Y111-M171 WeakPolarHBondContact OH-CB 3.29Å; Y111-M171 PolarHBondContact OH-N 3.22Å; Y111-L174 HydrophobicContact CD1-CD1 3.82Å; Y111-L174 HydrophobicContact CE1-CD1 3.29Å; Y111-L255 HydrophobicContact CD1-CD1 3.89Å; Y111-L255 HydrophobicContact CD2-CD1 4.4Å; Y111-L255 HydrophobicContact CE1-CD1 3.7Å; Y111-L255 HydrophobicContact CE1-CD2 4.34Å; Y111-L255 HydrophobicContact CE2-CD1 4.24Å; Y111-L255 HydrophobicContact CG-CD1 4.22Å; Y111-I263 HydrophobicContact CD1-CD1 4.29Å; Y111-I263 HydrophobicContact CE1-CD1 3.63Å
112	G	96.7	Very high	96.7	Very high	32 Å²	32	41.6 Å²	41.6	33%	0.33	23%	0.233	S	C	.	.	H	α-helix	trans	-63.9	-28.3	-178.7	0	0	0	0	0	113.7	F108 S109	F108-G112 PolarHBondContact O-N 3.02Å; S109-G112 PolarHBondContact O-N 3.41Å
113	R	96.2	Very high	96.8	Very high	105 Å²	105	40.4 Å²	40.4	40%	0.396	23%	0.228	S	C	.	.	H	α-helix	trans	-79.8	-33	176.9	-174.4	176.3	62.4	83.5	-4.4	113.1	S109 E110 Y111	S109-R113 VanDerWaalsContact O-CB 3.28Å; S109-R113 WeakPolarHBondContact O-CB 3.43Å; S109-R113 PolarHBondContact O-N 2.96Å; E110-R113 PolarHBondContact O-N 2.88Å; Y111-R113 VanDerWaalsContact C-N 3.25Å; Y111-R113 PolarHBondContact O-N 3.23Å
114	K	95	Very high	96.8	Very high	40 Å²	40	52 Å²	52	17%	0.174	27%	0.271	C	S	.	.	H	α-helix	trans	-99.2	-18.5	-172.7	-71	-176.7	174.6	178	0	113.1	E110 Y111 L255 T260 N264	E110-K114 HydrophobicContact CG-CD 3.9Å; E110-K114 VanDerWaalsContact O-CB 3.32Å; E110-K114 WeakPolarHBondContact O-CB 3.44Å; E110-K114 WeakPolarHBondContact O-CG 3.22Å; E110-K114 PolarHBondContact O-N 2.95Å; E110-K114 VanDerWaalsContact O-N 3.12Å; E110-K114 IonicContact OE1-NZ 3.31Å; E110-K114 PolarHBondContact OE1-NZ 2.66Å; Y111-K114 PolarHBondContact O-N 3Å; K114-L255 HydrophobicContact CD-CB 4.38Å; K114-L255 PolarHBondContact NZ-O 3.31Å; K114-T260 HydrophobicContact CB-CG2 3.71Å; K114-T260 WeakPolarHBondContact O-CG2 3.4Å; K114-N264 PolarHBondContact O-ND2 3.05Å
115	T	96.9	Very high	96.7	Very high	15 Å²	15	59.2 Å²	59.2	9%	0.092	31%	0.305	C	S	.	.	S	Bend	trans	-142.5	174.8	-171.6	73.5	0	0	0	0	112.3	Y111 I117 T260 I263 N264	Y111-T115 WeakPolarHBondContact O-CA 3.09Å; Y111-T115 WeakPolarHBondContact O-CB 3.42Å; Y111-T115 PolarHBondContact O-N 3.4Å; Y111-T115 PolarHBondContact O-OG1 2.67Å; T115-I117 PolarHBondContact O-N 3.47Å; T115-I117 WeakPolarHBondContact OG1-CB 3.41Å; T115-I117 WeakPolarHBondContact OG1-CG1 3.42Å; T115-I117 PolarHBondContact OG1-N 3.41Å; T115-I117 VanDerWaalsContact OG1-N 3.12Å; T115-T260 HydrophobicContact CG2-CG2 4.11Å; T115-I263 HydrophobicContact CG2-CB 4.01Å; T115-I263 HydrophobicContact CG2-CD1 4.28Å; T115-I263 HydrophobicContact CG2-CG2 3.72Å; T115-N264 WeakPolarHBondContact CA-OD1 3.38Å; T115-N264 WeakPolarHBondContact CB-OD1 3.49Å
116	C	96.3	Very high	96.7	Very high	37 Å²	37	57.4 Å²	57.4	25%	0.25	29%	0.287	C	S	.	.	S	Bend	trans	-84.9	12.3	169	67.7	0	0	0	0	113.8	H118 C269	C116-H118 PolarHBondContact O-CD2 3.15Å; C116-H118 VanDerWaalsContact O-CD2 3.29Å; C116-C269 HydrophobicContact CB-CB 3.56Å; C116-C269 WeakPolarHBondContact CB-SG 3.01Å; C116-C269 PolarHBondContact N-SG 3.08Å; C116-C269 WeakPolarHBondContact SG-CA 3.43Å; C116-C269 WeakPolarHBondContact SG-CB 3.38Å; C116-C269 CovalentContact SG-SG 2.02Å; C116-C269 PolarHBondContact SG-SG 2.85Å
117	I	98	Very high	96.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.303	C	S	.	.			trans	-81.2	132	178.7	-57.9	-55.2	0	0	0	110.2	G86 V88 Y111 T115 F119 L174 I263 Y267	G86-I117 WeakPolarHBondContact O-CA 3.16Å; V88-I117 HydrophobicContact CG2-CG2 4.28Å; Y111-I117 HydrophobicContact CD1-CB 4.4Å; Y111-I117 HydrophobicContact CD1-CG2 4.48Å; T115-I117 PolarHBondContact O-N 3.47Å; T115-I117 WeakPolarHBondContact OG1-CB 3.41Å; T115-I117 WeakPolarHBondContact OG1-CG1 3.42Å; T115-I117 PolarHBondContact OG1-N 3.41Å; T115-I117 VanDerWaalsContact OG1-N 3.12Å; I117-F119 HydrophobicContact CG2-CD2 4.3Å; I117-F119 HydrophobicContact CG2-CE2 3.76Å; I117-F119 HydrophobicContact CG2-CZ 4.05Å; I117-L174 HydrophobicContact CD1-CD2 3.86Å; I117-L174 HydrophobicContact CG1-CD1 3.93Å; I117-L174 HydrophobicContact CG1-CD2 4.06Å; I117-L174 HydrophobicContact CG2-CD1 4.17Å; I117-L174 HydrophobicContact CG2-CD2 3.76Å; I117-I263 HydrophobicContact CD1-CG2 4.21Å; I117-I263 HydrophobicContact CG1-CG2 3.62Å; I117-Y267 HydrophobicContact CD1-CD1 3.56Å; I117-Y267 HydrophobicContact CD1-CD2 3.79Å; I117-Y267 HydrophobicContact CD1-CE1 3.77Å; I117-Y267 HydrophobicContact CD1-CE2 4.01Å; I117-Y267 HydrophobicContact CD1-CG 3.54Å
118	H	97	Very high	96.3	Very high	103 Å²	103	63.4 Å²	63.4	48%	0.477	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	114.5	177.5	-62.4	-67.9	0	0	0	110.9	G86 V88 C116 V120	G86-H118 PolarHBondContact O-N 3.38Å; V88-H118 PolarHBondContact N-O 3.39Å; C116-H118 PolarHBondContact O-CD2 3.15Å; C116-H118 VanDerWaalsContact O-CD2 3.29Å; H118-V120 HydrophobicContact CB-CG1 4.16Å
119	F	98.3	Very high	96.2	Very high	21 Å²	21	64.5 Å²	64.5	9%	0.092	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.2	166.9	-64.6	-82.6	0	0	0	108.6	V88 Y90 F108 Y111 I117 I130 L170	V88-F119 HydrophobicContact CB-CD1 3.72Å; V88-F119 HydrophobicContact CB-CE1 3.82Å; V88-F119 HydrophobicContact CG1-CD1 3.84Å; V88-F119 HydrophobicContact CG1-CE1 3.77Å; V88-F119 HydrophobicContact CG2-CD1 4.4Å; V88-F119 HydrophobicContact CG2-CE1 4.08Å; V88-F119 WeakPolarHBondContact O-CA 3.5Å; Y90-F119 HydrophobicContact CD1-CB 3.96Å; Y90-F119 HydrophobicContact CE1-CB 4.19Å; F108-F119 HydrophobicContact CB-CB 4.33Å; F108-F119 HydrophobicContact CB-CD2 4.32Å; F108-F119 HydrophobicContact CD1-CB 3.68Å; F108-F119 HydrophobicContact CD1-CD1 4.14Å; F108-F119 AromaticContact CD1-CD2 3.53Å; F108-F119 HydrophobicContact CD1-CD2 3.53Å; F108-F119 HydrophobicContact CD1-CE2 4.24Å; F108-F119 AromaticContact CD1-CG 3.49Å; F108-F119 HydrophobicContact CD1-CG 3.49Å; F108-F119 VanDerWaalsContact CD1-CG 3.49Å; F108-F119 HydrophobicContact CD2-CB 3.85Å; F108-F119 HydrophobicContact CE1-CB 3.77Å; F108-F119 AromaticContact CE1-CD1 3.77Å; F108-F119 HydrophobicContact CE1-CD1 3.77Å; F108-F119 HydrophobicContact CE1-CD2 4.04Å; F108-F119 HydrophobicContact CE1-CE1 4.42Å; F108-F119 AromaticContact CE1-CG 3.56Å; F108-F119 HydrophobicContact CE1-CG 3.56Å; F108-F119 HydrophobicContact CE2-CB 3.95Å; F108-F119 HydrophobicContact CG-CB 3.71Å; F108-F119 HydrophobicContact CG-CD2 4.07Å; F108-F119 HydrophobicContact CG-CG 4.01Å; F108-F119 HydrophobicContact CZ-CB 3.9Å; F108-F119 HydrophobicContact CZ-CD1 4.31Å; F108-F119 HydrophobicContact CZ-CG 4.14Å; Y111-F119 HydrophobicContact CD1-CE2 4.32Å; Y111-F119 AromaticContact CD2-CE2 3.67Å; Y111-F119 HydrophobicContact CD2-CE2 3.67Å; Y111-F119 HydrophobicContact CD2-CZ 4.37Å; Y111-F119 HydrophobicContact CE2-CE2 4.32Å; Y111-F119 AromaticContact CG-CE2 3.68Å; Y111-F119 HydrophobicContact CG-CE2 3.68Å; I117-F119 HydrophobicContact CG2-CD2 4.3Å; I117-F119 HydrophobicContact CG2-CE2 3.76Å; I117-F119 HydrophobicContact CG2-CZ 4.05Å; F119-I130 HydrophobicContact CD1-CD1 4.13Å; F119-I130 HydrophobicContact CE1-CD1 4.15Å; F119-L170 HydrophobicContact CD1-CD2 4.36Å; F119-L170 HydrophobicContact CE1-CB 4.42Å; F119-L170 HydrophobicContact CE1-CD1 4.25Å; F119-L170 HydrophobicContact CE1-CD2 3.68Å; F119-L170 HydrophobicContact CE1-CG 4.32Å; F119-L170 HydrophobicContact CE2-CD1 4.05Å; F119-L170 HydrophobicContact CZ-CB 3.87Å; F119-L170 HydrophobicContact CZ-CD1 3.88Å; F119-L170 HydrophobicContact CZ-CD2 3.98Å; F119-L170 HydrophobicContact CZ-CG 4.11Å
120	V	97.6	Very high	96.3	Very high	35 Å²	35	61 Å²	61	21%	0.212	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.6	-173.2	-62.1	0	0	0	0	111.2	R87 V88 P89 Y90 H118 K122	R87-V120 HydrophobicContact CG-CG2 3.64Å; V88-V120 PolarHBondContact O-N 3.45Å; P89-V120 CarbonylContact C-O 3.57Å; P89-V120 VanDerWaalsContact CA-O 3.24Å; P89-V120 WeakPolarHBondContact CA-O 3.33Å; Y90-V120 WeakPolarHBondContact CD1-O 3.49Å; Y90-V120 PolarHBondContact N-O 2.87Å; H118-V120 HydrophobicContact CB-CG1 4.16Å; V120-K122 PolarHBondContact O-N 2.7Å
121	P	97.5	Very high	96.3	Very high	90 Å²	90	62.7 Å²	62.7	58%	0.584	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.9	136.2	172.2	-25.4	33.9	0	0	0	111.5	Y90 S123	Y90-P121 HydrophobicContact CE1-CG 4.41Å; P121-S123 PolarHBondContact O-N 3.24Å
122	K	97.2	Very high	96.3	Very high	67 Å²	67	62.7 Å²	62.7	29%	0.291	30%	0.302	S	S	.	.			trans	-60.6	129.3	178.4	-170.6	-161.2	179.4	-65.4	0	111.4	P89 Y90 V91 V120 D126 Y129	P89-K122 HydrophobicContact CB-CB 4.4Å; P89-K122 HydrophobicContact CB-CG 4.42Å; Y90-K122 WeakPolarHBondContact O-CB 3.47Å; Y90-K122 PolarHBondContact O-N 3.12Å; V91-K122 HydrophobicContact CG2-CB 3.67Å; V91-K122 HydrophobicContact CG2-CD 3.62Å; V91-K122 HydrophobicContact CG2-CG 4.23Å; V120-K122 PolarHBondContact O-N 2.7Å; K122-D126 WeakPolarHBondContact CE-O 3.32Å; K122-D126 HydrophobicContact CG-CB 3.81Å; K122-D126 PolarHBondContact NZ-O 2.92Å; K122-Y129 HydrophobicContact CD-CD1 3.68Å; K122-Y129 HydrophobicContact CD-CD2 3.76Å; K122-Y129 HydrophobicContact CD-CE1 3.88Å; K122-Y129 HydrophobicContact CD-CE2 3.95Å; K122-Y129 HydrophobicContact CD-CG 3.59Å; K122-Y129 HydrophobicContact CG-CD1 4.37Å; K122-Y129 HydrophobicContact CG-CD2 4.49Å; K122-Y129 HydrophobicContact CG-CG 4.08Å
123	S	96.1	Very high	96.3	Very high	39 Å²	39	65.4 Å²	65.4	27%	0.273	31%	0.305	S	S	.	.			trans	-92.1	174.8	169.9	72.9	0	0	0	0	112.2	P121 Q125 D126	P121-S123 PolarHBondContact O-N 3.24Å; S123-Q125 VanDerWaalsContact C-N 3.27Å; S123-Q125 PolarHBondContact O-N 3.38Å; S123-Q125 PolarHBondContact OG-N 3.29Å; S123-Q125 PolarHBondContact OG-OE1 2.77Å; S123-D126 WeakPolarHBondContact CB-OD2 3.38Å; S123-D126 PolarHBondContact N-OD2 3.36Å; S123-D126 PolarHBondContact O-N 2.86Å; S123-D126 PolarHBondContact OG-N 3.4Å; S123-D126 PolarHBondContact OG-OD2 2.8Å
124	R	94.7	Very high	96.3	Very high	245 Å²	245	63.1 Å²	63.1	93%	0.925	30%	0.296	S	S	*	.	S	Bend	trans	-67.6	-28.5	174.9	-69.6	-175.7	178.1	-178.5	-0.3	112.4
125	Q	94.6	Very high	96.3	Very high	154 Å²	154	61.9 Å²	61.9	72%	0.72	29%	0.291	S	S	*	.	S	Bend	trans	-79.5	-19.7	-178.7	-61.9	79.2	5.2	0	0	112.8	S123 K127	S123-Q125 VanDerWaalsContact C-N 3.27Å; S123-Q125 PolarHBondContact O-N 3.38Å; S123-Q125 PolarHBondContact OG-N 3.29Å; S123-Q125 PolarHBondContact OG-OE1 2.77Å; Q125-K127 PolarHBondContact O-N 3.01Å; Q125-K127 VanDerWaalsContact O-N 3.15Å
126	D	95	Very high	96.1	Very high	19 Å²	19	69 Å²	69	10%	0.102	32%	0.321	C	S	.	.			trans	-71.7	108	179.9	-66.9	-43.3	0	0	0	110.7	R87 P89 K122 S123	R87-D126 IonicContact CZ-OD1 3.43Å; R87-D126 IonicContact CZ-OD2 3.71Å; R87-D126 IonicContact NH1-OD1 2.66Å; R87-D126 PolarHBondContact NH1-OD1 2.91Å; R87-D126 IonicContact NH1-OD2 3.63Å; R87-D126 IonicContact NH2-OD1 3.5Å; R87-D126 PolarHBondContact NH2-OD1 2.91Å; R87-D126 IonicContact NH2-OD2 3.18Å; R87-D126 PolarHBondContact NH2-OD2 2.69Å; P89-D126 HydrophobicContact CB-CB 4Å; P89-D126 HydrophobicContact CG-CB 4.02Å; K122-D126 WeakPolarHBondContact CE-O 3.32Å; K122-D126 HydrophobicContact CG-CB 3.81Å; K122-D126 PolarHBondContact NZ-O 2.92Å; S123-D126 WeakPolarHBondContact CB-OD2 3.38Å; S123-D126 PolarHBondContact N-OD2 3.36Å; S123-D126 PolarHBondContact O-N 2.86Å; S123-D126 PolarHBondContact OG-N 3.4Å; S123-D126 PolarHBondContact OG-OD2 2.8Å
127	K	92.9	Very high	95.8	Very high	179 Å²	179	77.1 Å²	77.1	78%	0.778	35%	0.346	S	S	*	.	S	Bend	trans	-77.6	-42.3	172.1	-65.8	-175.5	179.1	-179	0	111.6	Q125	Q125-K127 PolarHBondContact O-N 3.01Å; Q125-K127 VanDerWaalsContact O-N 3.15Å
128	D	93.2	Very high	95.3	Very high	42 Å²	42	80.7 Å²	80.7	23%	0.225	37%	0.365	C	S	.	.	S	Bend	trans	-104.6	132	-178.8	-50.6	-31.6	0	0	0	110.2	W83 R146 G148 G149	W83-D128 HydrophobicContact CH2-CB 4.45Å; W83-D128 HydrophobicContact CZ3-CB 4.02Å; D128-R146 HydrophobicContact CB-CG 4.28Å; D128-R146 IonicContact OD2-CZ 2.86Å; D128-R146 IonicContact OD2-NE 3.66Å; D128-R146 IonicContact OD2-NH1 2.69Å; D128-R146 PolarHBondContact OD2-NH1 3.06Å; D128-G148 WeakPolarHBondContact OD1-CA 3.28Å; D128-G149 VanDerWaalsContact CA-O 3.28Å; D128-G149 WeakPolarHBondContact CA-O 3.24Å; D128-G149 PolarHBondContact OD1-N 3.08Å
129	Y	95.6	Very high	95	Very high	52 Å²	52	76.4 Å²	76.4	20%	0.204	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	158.2	-177.2	63.8	-82.3	0	0	0	111.8	P89 V91 K122 G149 N150 Q151	P89-Y129 CarbonylContact O-C 3.44Å; P89-Y129 VanDerWaalsContact O-CA 3.27Å; P89-Y129 WeakPolarHBondContact O-CA 3.1Å; P89-Y129 WeakPolarHBondContact O-CB 3.31Å; V91-Y129 HydrophobicContact CB-CD2 4.4Å; V91-Y129 HydrophobicContact CB-CE2 4.4Å; V91-Y129 HydrophobicContact CG2-CD2 3.75Å; V91-Y129 HydrophobicContact CG2-CE2 3.79Å; K122-Y129 HydrophobicContact CD-CD1 3.68Å; K122-Y129 HydrophobicContact CD-CD2 3.76Å; K122-Y129 HydrophobicContact CD-CE1 3.88Å; K122-Y129 HydrophobicContact CD-CE2 3.95Å; K122-Y129 HydrophobicContact CD-CG 3.59Å; K122-Y129 HydrophobicContact CG-CD1 4.37Å; K122-Y129 HydrophobicContact CG-CD2 4.49Å; K122-Y129 HydrophobicContact CG-CG 4.08Å; Y129-G149 PolarHBondContact N-O 2.98Å; Y129-N150 HydrophobicContact CD2-CB 4.46Å; Y129-N150 HydrophobicContact CE1-CB 3.84Å; Y129-N150 HydrophobicContact CE2-CB 3.8Å; Y129-N150 VanDerWaalsContact CZ-CB 3.46Å; Y129-Q151 PolarHBondContact O-N 3.45Å
130	I	97.4	Very high	94.8	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	138.2	172.1	68.9	176	0	0	0	111.1	W83 V88 P89 Y90 V91 F119 I132 Q151 V153 L170 V173	W83-I130 HydrophobicContact CH2-CG2 3.93Å; W83-I130 HydrophobicContact CZ2-CG2 3.65Å; V88-I130 HydrophobicContact CG1-CD1 3.99Å; V88-I130 HydrophobicContact CG1-CG1 4.21Å; V88-I130 HydrophobicContact CG1-CG2 3.99Å; P89-I130 PolarHBondContact O-N 2.92Å; Y90-I130 CarbonylContact C-O 3.3Å; Y90-I130 VanDerWaalsContact CA-O 3.27Å; Y90-I130 WeakPolarHBondContact CA-O 3.36Å; V91-I130 PolarHBondContact N-O 3.46Å; F119-I130 HydrophobicContact CD1-CD1 4.13Å; F119-I130 HydrophobicContact CE1-CD1 4.15Å; I130-I132 HydrophobicContact CD1-CD1 4.3Å; I130-I132 HydrophobicContact CD1-CG1 4.27Å; I130-Q151 CarbonylContact C-O 3.18Å; I130-Q151 VanDerWaalsContact CA-O 3.25Å; I130-Q151 WeakPolarHBondContact CA-O 3.43Å; I130-Q151 HydrophobicContact CB-CG 4.44Å; I130-Q151 HydrophobicContact CG2-CG 3.76Å; I130-V153 HydrophobicContact CB-CG2 4.27Å; I130-V153 HydrophobicContact CD1-CG2 4.36Å; I130-L170 HydrophobicContact CD1-CD2 3.99Å; I130-V173 HydrophobicContact CG2-CG1 3.7Å; I130-V173 HydrophobicContact CG2-CG2 4.19Å
131	L	97.1	Very high	94.6	Very high	41 Å²	41	75.7 Å²	75.7	22%	0.215	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.4	166	173.7	63.2	0	0	0	108.4	V91 K133 Q151 T152 V153	V91-L131 HydrophobicContact CB-CD1 4.05Å; V91-L131 HydrophobicContact CG1-CD1 3.93Å; L131-K133 HydrophobicContact CD2-CD 4.28Å; L131-K133 HydrophobicContact CG-CB 4.47Å; L131-K133 PolarHBondContact O-N 3.3Å; L131-Q151 PolarHBondContact N-O 3.05Å; L131-T152 WeakPolarHBondContact O-CA 3.38Å; L131-V153 PolarHBondContact O-N 3.24Å
132	I	98	Very high	94.4	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	102.5	173.1	-65.8	162.1	0	0	0	107.8	V91 L92 D93 L96 L104 F108 I130 V153 L155	V91-I132 PolarHBondContact O-N 3.15Å; L92-I132 HydrophobicContact CD2-CB 3.93Å; L92-I132 HydrophobicContact CD2-CD1 3.58Å; L92-I132 HydrophobicContact CD2-CG1 4.31Å; L92-I132 HydrophobicContact CD2-CG2 4.38Å; D93-I132 WeakPolarHBondContact CB-O 3.35Å; D93-I132 PolarHBondContact N-O 3.46Å; L96-I132 HydrophobicContact CD1-CG2 4.36Å; L104-I132 HydrophobicContact CD1-CG2 3.93Å; L104-I132 HydrophobicContact CD2-CD1 3.95Å; L104-I132 HydrophobicContact CD2-CG2 3.93Å; F108-I132 HydrophobicContact CE1-CD1 4.17Å; F108-I132 HydrophobicContact CZ-CD1 3.54Å; I130-I132 HydrophobicContact CD1-CD1 4.3Å; I130-I132 HydrophobicContact CD1-CG1 4.27Å; I132-V153 HydrophobicContact CG1-CB 4.39Å; I132-L155 HydrophobicContact CG2-CD1 3.75Å
133	K	97.1	Very high	93.9	Very high	89 Å²	89	70.9 Å²	70.9	39%	0.387	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.1	-171.6	-172.2	73.9	-170.4	161.4	0	110.7	D93 L131 T152 V153 L155	D93-K133 VanDerWaalsContact OD2-CD 3.24Å; D93-K133 WeakPolarHBondContact OD2-CD 3.41Å; D93-K133 WeakPolarHBondContact OD2-CE 3.47Å; D93-K133 IonicContact OD2-NZ 3.75Å; D93-K133 PolarHBondContact OD2-NZ 3.19Å; L131-K133 HydrophobicContact CD2-CD 4.28Å; L131-K133 HydrophobicContact CG-CB 4.47Å; L131-K133 PolarHBondContact O-N 3.3Å; K133-T152 HydrophobicContact CB-CG2 3.53Å; K133-T152 HydrophobicContact CG-CG2 4.31Å; K133-V153 PolarHBondContact N-O 2.83Å; K133-L155 PolarHBondContact O-N 3.34Å
134	R	96.5	Very high	93.4	Very high	58 Å²	58	69.1 Å²	69.1	22%	0.219	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.7	171.7	-170.7	178.7	-169.8	-105.5	-2.1	109.7	D93 T95 L96 E100 V157 F161	D93-R134 HydrophobicContact CB-CB 4.27Å; T95-R134 VanDerWaalsContact O-CD 3.3Å; T95-R134 WeakPolarHBondContact O-CD 3.34Å; L96-R134 HydrophobicContact CD2-CB 4Å; L96-R134 HydrophobicContact CD2-CG 4.28Å; L96-R134 HydrophobicContact CG-CB 4.42Å; E100-R134 VanDerWaalsContact CD-NE 3.3Å; E100-R134 IonicContact OE1-CZ 3.51Å; E100-R134 IonicContact OE1-NE 3.43Å; E100-R134 PolarHBondContact OE1-NE 2.93Å; E100-R134 IonicContact OE1-NH2 3.55Å; E100-R134 PolarHBondContact OE1-NH2 3.32Å; E100-R134 WeakPolarHBondContact OE2-CD 3.28Å; E100-R134 IonicContact OE2-CZ 3.41Å; E100-R134 IonicContact OE2-NE 2.95Å; E100-R134 PolarHBondContact OE2-NE 2.87Å; E100-R134 IonicContact OE2-NH2 2.95Å; R134-V157 HydrophobicContact CG-CG2 3.72Å; R134-V157 VanDerWaalsContact NE-CG2 3.35Å; R134-V157 VanDerWaalsContact NH2-CG2 3.25Å; R134-F161 HydrophobicContact CB-CZ 4.39Å; R134-F161 HydrophobicContact CG-CE2 4.17Å; R134-F161 HydrophobicContact CG-CZ 4.08Å
135	N	95.1	Very high	93	Very high	14 Å²	14	57.4 Å²	57.4	8%	0.075	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	164.7	177.4	84.1	70.4	0	0	0	111.7	R137 L138 G139 S154 L155 E156 V157	N135-R137 PolarHBondContact OD1-N 3.43Å; N135-L138 HydrophobicContact CB-CB 4.25Å; N135-L138 HydrophobicContact CB-CD1 4.05Å; N135-L138 HydrophobicContact CB-CG 4.2Å; N135-L138 PolarHBondContact OD1-N 2.89Å; N135-G139 PolarHBondContact ND2-O 3.5Å; N135-S154 PolarHBondContact ND2-OG 3.43Å; N135-L155 PolarHBondContact N-O 2.97Å; N135-L155 PolarHBondContact ND2-N 2.86Å; N135-L155 PolarHBondContact ND2-O 2.8Å; N135-E156 PolarHBondContact ND2-N 3.03Å; N135-E156 VanDerWaalsContact ND2-N 3.19Å; N135-E156 WeakPolarHBondContact O-CA 3.39Å; N135-E156 WeakPolarHBondContact OD1-CA 3.48Å; N135-E156 WeakPolarHBondContact OD1-CB 3.46Å; N135-V157 WeakPolarHBondContact O-CG2 3.37Å; N135-V157 PolarHBondContact O-N 3.05Å
136	K	92.8	Very high	92.7	Very high	163 Å²	163	53 Å²	53	71%	0.709	24%	0.237	S	C	*	.	S	Bend	trans	-104.7	-22.7	-178.9	-68.7	-174.5	-179.8	179.2	0	115.1
137	R	89.1	Confident	91.9	Very high	209 Å²	209	54.3 Å²	54.3	79%	0.789	25%	0.251	S	S	*	.	S	Bend	trans	-154.5	16.5	-167.8	-63.6	-171.2	178.5	176.8	-0.6	114.5	N135 E156	N135-R137 PolarHBondContact OD1-N 3.43Å; R137-E156 WeakPolarHBondContact CA-OE2 3.27Å
138	L	88	Confident	91.1	Very high	75 Å²	75	47.1 Å²	47.1	39%	0.393	23%	0.228	S	C	.	.	S	Bend	trans	-103	-1.2	-175.7	-57	178.9	0	0	0	113.3	N135 E156	N135-L138 HydrophobicContact CB-CB 4.25Å; N135-L138 HydrophobicContact CB-CD1 4.05Å; N135-L138 HydrophobicContact CB-CG 4.2Å; N135-L138 PolarHBondContact OD1-N 2.89Å; L138-E156 PolarHBondContact N-OE2 2.46Å
139	G	90.8	Very high	90.8	Very high	12 Å²	12	46.6 Å²	46.6	12%	0.124	23%	0.232	C	C	.	.			trans	76	-165.1	-172.5	0	0	0	0	0	113.7	N135 E156	N135-G139 PolarHBondContact ND2-O 3.5Å; G139-E156 VanDerWaalsContact CA-OE2 3.32Å; G139-E156 WeakPolarHBondContact CA-OE2 3.25Å; G139-E156 PolarHBondContact N-OE2 3.3Å; G139-E156 WeakPolarHBondContact O-CB 3.34Å; G139-E156 PolarHBondContact O-N 3.46Å
140	C	95	Very high	90.4	Very high	29 Å²	29	49 Å²	49	20%	0.196	25%	0.249	C	C	.	.	S	Bend	trans	-101.5	133.6	172.6	-34.5	0	0	0	0	107.4	D45 S154 C160 I165 E169	D45-C140 VanDerWaalsContact CB-O 3.25Å; D45-C140 WeakPolarHBondContact CB-O 3.39Å; C140-S154 CarbonylContact C-O 3.04Å; C140-S154 VanDerWaalsContact CA-O 3.26Å; C140-S154 WeakPolarHBondContact CA-O 3.41Å; C140-C160 WeakPolarHBondContact CA-SG 3.43Å; C140-C160 HydrophobicContact CB-CB 3.92Å; C140-C160 WeakPolarHBondContact CB-SG 3.21Å; C140-C160 PolarHBondContact N-SG 2.93Å; C140-C160 VanDerWaalsContact N-SG 3.41Å; C140-C160 WeakPolarHBondContact SG-CB 3.13Å; C140-C160 CovalentContact SG-SG 2.02Å; C140-C160 PolarHBondContact SG-SG 3.45Å; C140-I165 HydrophobicContact CB-CG2 4.36Å; C140-E169 HydrophobicContact CB-CG 4.28Å; C140-E169 WeakPolarHBondContact CB-OE1 2.86Å
141	S	93	Very high	90	Very high	13 Å²	13	49.1 Å²	49.1	9%	0.091	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-160.1	157	174.5	61.7	0	0	0	0	113.6	D45 V153 S154 E169	D45-S141 CarbonylContact O-C 3.55Å; D45-S141 WeakPolarHBondContact O-CA 3.44Å; D45-S141 WeakPolarHBondContact O-CB 3.16Å; S141-V153 CarbonylContact O-C 3.51Å; S141-V153 WeakPolarHBondContact O-CA 3.34Å; S141-S154 PolarHBondContact N-O 2.94Å; S141-S154 PolarHBondContact O-N 3.39Å; S141-S154 WeakPolarHBondContact OG-CB 3.29Å; S141-E169 VanDerWaalsContact CA-OE2 3.31Å; S141-E169 WeakPolarHBondContact CA-OE2 3.21Å
142	S	92	Very high	89.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	167.2	-179.2	-172	0	0	0	0	111.6	D45 I46 S47 E169 V173	D45-S142 PolarHBondContact O-N 3.23Å; I46-S142 WeakPolarHBondContact CA-O 3.07Å; S47-S142 PolarHBondContact N-O 2.97Å; S47-S142 PolarHBondContact OG-O 3.41Å; S142-E169 WeakPolarHBondContact CB-O 3.35Å; S142-E169 WeakPolarHBondContact CB-OE2 3.38Å; S142-E169 PolarHBondContact N-OE2 3.02Å; S142-E169 PolarHBondContact OG-O 2.9Å; S142-E169 VanDerWaalsContact OG-O 3.06Å; S142-V173 WeakPolarHBondContact OG-CG2 3.34Å
143	F	86.6	Confident	89.8	Confident	56 Å²	56	49.7 Å²	49.7	25%	0.246	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	153.1	168.7	-75.6	-107.7	0	0	0	109.2	S47 A147 Q151 H172 V173	S47-F143 WeakPolarHBondContact OG-CD2 3.3Å; S47-F143 VanDerWaalsContact OG-CE2 3.27Å; S47-F143 WeakPolarHBondContact OG-CE2 3.18Å; S47-F143 PolarHBondContact OG-N 2.93Å; F143-A147 HydrophobicContact CD1-CB 3.87Å; F143-A147 HydrophobicContact CE1-CB 4.42Å; F143-A147 HydrophobicContact CG-CB 4.38Å; F143-Q151 HydrophobicContact CD2-CB 3.92Å; F143-Q151 HydrophobicContact CE2-CB 4.32Å; F143-Q151 HydrophobicContact CG-CB 4.19Å; F143-H172 CarbonylContact O-C 3.54Å; F143-V173 PolarHBondContact O-N 2.82Å
144	V	86.3	Confident	89.8	Confident	1 Å²	1	46 Å²	46	1%	0.006	24%	0.24	C	C	.	.	S	Bend	trans	-90.5	116	171.3	-177.2	0	0	0	0	111	I46 F49 V73 H172 F177	I46-V144 HydrophobicContact CB-CG2 4.35Å; I46-V144 HydrophobicContact CD1-CG2 3.79Å; I46-V144 HydrophobicContact CG1-CG2 3.84Å; I46-V144 HydrophobicContact CG2-CG2 3.62Å; F49-V144 HydrophobicContact CE2-CB 3.84Å; V73-V144 HydrophobicContact CG1-CG1 3.71Å; V144-H172 CarbonylContact C-O 3.55Å; V144-H172 VanDerWaalsContact CA-O 3.26Å; V144-H172 WeakPolarHBondContact CA-O 3.46Å; V144-H172 HydrophobicContact CG2-CB 4.26Å; V144-F177 HydrophobicContact CB-CE1 4.23Å; V144-F177 HydrophobicContact CB-CE2 4.47Å; V144-F177 HydrophobicContact CB-CZ 4.11Å; V144-F177 HydrophobicContact CG1-CD2 3.93Å; V144-F177 HydrophobicContact CG1-CE1 4.19Å; V144-F177 HydrophobicContact CG1-CE2 3.62Å; V144-F177 HydrophobicContact CG1-CG 4.4Å; V144-F177 HydrophobicContact CG1-CZ 3.75Å; V144-F177 HydrophobicContact CG2-CD1 4.09Å; V144-F177 HydrophobicContact CG2-CE1 3.96Å; V144-F177 HydrophobicContact CG2-CZ 4.33Å
145	G	86.7	Confident	89.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	75.6	-173.4	-176.9	0	0	0	0	0	113.6	K81 A147 Q151 H172 V173	K81-G145 CarbonylContact O-C 3.37Å; K81-G145 WeakPolarHBondContact O-CA 3.39Å; G145-A147 PolarHBondContact O-N 3.26Å; G145-Q151 PolarHBondContact O-NE2 2.66Å; G145-H172 PolarHBondContact N-O 2.86Å; G145-V173 CarbonylContact C-O 3.58Å; G145-V173 VanDerWaalsContact C-O 3.3Å; G145-V173 WeakPolarHBondContact CA-O 3.3Å
146	R	88.3	Confident	89.9	Confident	60 Å²	60	43.3 Å²	43.3	23%	0.226	23%	0.229	C	C	.	.			trans	-73.3	112.9	172	-173.2	177.1	63.9	88.1	5.5	109.4	D80 K81 L82 W83 D128	D80-R146 VanDerWaalsContact O-CZ 3.28Å; D80-R146 PolarHBondContact O-NE 2.83Å; D80-R146 PolarHBondContact O-NH2 2.71Å; K81-R146 WeakPolarHBondContact CD-O 3.44Å; K81-R146 PolarHBondContact O-N 3.27Å; L82-R146 PolarHBondContact O-NE 2.92Å; W83-R146 HydrophobicContact CD2-CB 4.01Å; W83-R146 HydrophobicContact CD2-CG 4.1Å; W83-R146 HydrophobicContact CE3-CG 4.11Å; W83-R146 HydrophobicContact CG-CB 4.27Å; W83-R146 HydrophobicContact CH2-CG 4.15Å; W83-R146 HydrophobicContact CZ2-CB 4.21Å; W83-R146 HydrophobicContact CZ2-CG 4.15Å; W83-R146 HydrophobicContact CZ3-CG 4.13Å; D128-R146 HydrophobicContact CB-CG 4.28Å; D128-R146 IonicContact OD2-CZ 2.86Å; D128-R146 IonicContact OD2-NE 3.66Å; D128-R146 IonicContact OD2-NH1 2.69Å; D128-R146 PolarHBondContact OD2-NH1 3.06Å
147	A	78.5	Confident	89.9	Confident	47 Å²	47	37.9 Å²	37.9	39%	0.388	21%	0.21	S	C	.	.			trans	-86.2	-15.5	178.5	0	0	0	0	0	113.1	F143 G145 Q151	F143-A147 HydrophobicContact CD1-CB 3.87Å; F143-A147 HydrophobicContact CE1-CB 4.42Å; F143-A147 HydrophobicContact CG-CB 4.38Å; G145-A147 PolarHBondContact O-N 3.26Å; A147-Q151 HydrophobicContact CB-CB 4.28Å
148	G	76.7	Confident	90	Very high	28 Å²	28	31.7 Å²	31.7	29%	0.289	21%	0.211	S	C	.	.	S	Bend	trans	87.5	149.4	-170.5	0	0	0	0	0	111.9	D128	D128-G148 WeakPolarHBondContact OD1-CA 3.28Å
149	G	85.7	Confident	90.3	Very high	31 Å²	31	34.6 Å²	34.6	32%	0.32	22%	0.22	S	C	.	.	S	Bend	trans	60.6	-145.4	-177	0	0	0	0	0	113	D128 Y129	D128-G149 VanDerWaalsContact CA-O 3.28Å; D128-G149 WeakPolarHBondContact CA-O 3.24Å; D128-G149 PolarHBondContact OD1-N 3.08Å; Y129-G149 PolarHBondContact N-O 2.98Å
150	N	88.5	Confident	90.5	Very high	104 Å²	104	34 Å²	34	56%	0.556	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	125.3	174.2	64.2	-10.1	0	0	0	110.9	Y129	Y129-N150 HydrophobicContact CD2-CB 4.46Å; Y129-N150 HydrophobicContact CE1-CB 3.84Å; Y129-N150 HydrophobicContact CE2-CB 3.8Å; Y129-N150 VanDerWaalsContact CZ-CB 3.46Å
151	Q	88.9	Confident	90.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.4	172.5	66.6	-172.2	79.1	0	0	110.3	W83 Y129 I130 L131 F143 G145 A147	W83-Q151 HydrophobicContact CZ2-CG 4.38Å; Y129-Q151 PolarHBondContact O-N 3.45Å; I130-Q151 CarbonylContact C-O 3.18Å; I130-Q151 VanDerWaalsContact CA-O 3.25Å; I130-Q151 WeakPolarHBondContact CA-O 3.43Å; I130-Q151 HydrophobicContact CB-CG 4.44Å; I130-Q151 HydrophobicContact CG2-CG 3.76Å; L131-Q151 PolarHBondContact N-O 3.05Å; F143-Q151 HydrophobicContact CD2-CB 3.92Å; F143-Q151 HydrophobicContact CE2-CB 4.32Å; F143-Q151 HydrophobicContact CG-CB 4.19Å; G145-Q151 PolarHBondContact O-NE2 2.66Å; A147-Q151 HydrophobicContact CB-CB 4.28Å
152	T	93.2	Very high	90.5	Very high	52 Å²	52	33.8 Å²	33.8	32%	0.319	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	134	-173.7	-63.3	0	0	0	0	111	L131 K133	L131-T152 WeakPolarHBondContact O-CA 3.38Å; K133-T152 HydrophobicContact CB-CG2 3.53Å; K133-T152 HydrophobicContact CG-CG2 4.31Å
153	V	97	Very high	90.6	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	109.8	161.2	-179	0	0	0	0	107.1	I130 L131 I132 K133 S141 L155 E169 V173	I130-V153 HydrophobicContact CB-CG2 4.27Å; I130-V153 HydrophobicContact CD1-CG2 4.36Å; L131-V153 PolarHBondContact O-N 3.24Å; I132-V153 HydrophobicContact CG1-CB 4.39Å; K133-V153 PolarHBondContact N-O 2.83Å; S141-V153 CarbonylContact O-C 3.51Å; S141-V153 WeakPolarHBondContact O-CA 3.34Å; V153-L155 HydrophobicContact CG1-CD2 4.29Å; V153-L155 HydrophobicContact CG1-CG 4.37Å; V153-E169 HydrophobicContact CG1-CB 3.87Å; V153-V173 HydrophobicContact CG2-CG2 3.6Å
154	S	96.7	Very high	91	Very high	10 Å²	10	32.9 Å²	32.9	7%	0.07	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.3	-174.7	-166.9	0	0	0	0	110	N135 C140 S141	N135-S154 PolarHBondContact ND2-OG 3.43Å; C140-S154 CarbonylContact C-O 3.04Å; C140-S154 VanDerWaalsContact CA-O 3.26Å; C140-S154 WeakPolarHBondContact CA-O 3.41Å; S141-S154 PolarHBondContact N-O 2.94Å; S141-S154 PolarHBondContact O-N 3.39Å; S141-S154 WeakPolarHBondContact OG-CB 3.29Å
155	L	97	Very high	91.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	114.2	-180	-60.8	177.4	0	0	0	111.1	L104 I132 K133 N135 V153 C160 F161 I166 E169	L104-L155 HydrophobicContact CD2-CD1 4.05Å; I132-L155 HydrophobicContact CG2-CD1 3.75Å; K133-L155 PolarHBondContact O-N 3.34Å; N135-L155 PolarHBondContact N-O 2.97Å; N135-L155 PolarHBondContact ND2-N 2.86Å; N135-L155 PolarHBondContact ND2-O 2.8Å; V153-L155 HydrophobicContact CG1-CD2 4.29Å; V153-L155 HydrophobicContact CG1-CG 4.37Å; L155-C160 HydrophobicContact CB-CB 3.93Å; L155-C160 HydrophobicContact CD2-CB 3.76Å; L155-C160 HydrophobicContact CG-CB 4.44Å; L155-F161 HydrophobicContact CB-CD1 4.49Å; L155-F161 HydrophobicContact CB-CD2 4.49Å; L155-F161 HydrophobicContact CB-CE1 3.85Å; L155-F161 HydrophobicContact CB-CE2 3.87Å; L155-F161 HydrophobicContact CB-CZ 3.51Å; L155-F161 HydrophobicContact CD1-CD1 4.13Å; L155-F161 HydrophobicContact CD1-CE1 3.64Å; L155-F161 HydrophobicContact CD1-CZ 4.17Å; L155-F161 HydrophobicContact CG-CE1 4.42Å; L155-F161 WeakPolarHBondContact O-CE2 3.33Å; L155-I166 HydrophobicContact CD1-CG1 4.13Å; L155-E169 HydrophobicContact CD2-CG 3.96Å
156	E	96.2	Very high	92.1	Very high	16 Å²	16	34.6 Å²	34.6	8%	0.075	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	129.8	177.4	-172.8	175	138.9	0	0	112.2	N135 R137 L138 G139 G158 K159 C160	N135-E156 PolarHBondContact ND2-N 3.03Å; N135-E156 VanDerWaalsContact ND2-N 3.19Å; N135-E156 WeakPolarHBondContact O-CA 3.39Å; N135-E156 WeakPolarHBondContact OD1-CA 3.48Å; N135-E156 WeakPolarHBondContact OD1-CB 3.46Å; R137-E156 WeakPolarHBondContact CA-OE2 3.27Å; L138-E156 PolarHBondContact N-OE2 2.46Å; G139-E156 VanDerWaalsContact CA-OE2 3.32Å; G139-E156 WeakPolarHBondContact CA-OE2 3.25Å; G139-E156 PolarHBondContact N-OE2 3.3Å; G139-E156 WeakPolarHBondContact O-CB 3.34Å; G139-E156 PolarHBondContact O-N 3.46Å; E156-G158 PolarHBondContact O-N 2.88Å; E156-K159 HydrophobicContact CB-CB 4.44Å; E156-K159 HydrophobicContact CG-CD 4.45Å; E156-K159 PolarHBondContact O-N 3.11Å; E156-K159 VanDerWaalsContact OE1-CD 3.25Å; E156-K159 WeakPolarHBondContact OE1-CD 3.28Å; E156-K159 WeakPolarHBondContact OE1-CE 3.21Å; E156-K159 IonicContact OE1-NZ 2.76Å; E156-K159 PolarHBondContact OE1-NZ 2.69Å; E156-K159 IonicContact OE2-NZ 2.68Å; E156-C160 PolarHBondContact N-SG 2.77Å; E156-C160 PolarHBondContact O-N 3.03Å
157	V	94.4	Very high	92.5	Very high	49 Å²	49	31.8 Å²	31.8	30%	0.297	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	132.1	176	177.9	0	0	0	0	111.1	R134 N135 K159 F161	R134-V157 HydrophobicContact CG-CG2 3.72Å; R134-V157 VanDerWaalsContact NE-CG2 3.35Å; R134-V157 VanDerWaalsContact NH2-CG2 3.25Å; N135-V157 WeakPolarHBondContact O-CG2 3.37Å; N135-V157 PolarHBondContact O-N 3.05Å; V157-K159 PolarHBondContact O-N 3.49Å; V157-F161 HydrophobicContact CG2-CE2 4.25Å
158	G	91.1	Very high	93.4	Very high	79 Å²	79	29.6 Å²	29.6	81%	0.814	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	-2.6	179.5	0	0	0	0	0	115	E156	E156-G158 PolarHBondContact O-N 2.88Å
159	K	92.7	Very high	94.4	Very high	135 Å²	135	28.4 Å²	28.4	59%	0.587	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.1	-48.5	177.7	-64.6	-174.4	-172.6	155.8	0	113.5	E156 V157 I165	E156-K159 HydrophobicContact CB-CB 4.44Å; E156-K159 HydrophobicContact CG-CD 4.45Å; E156-K159 PolarHBondContact O-N 3.11Å; E156-K159 VanDerWaalsContact OE1-CD 3.25Å; E156-K159 WeakPolarHBondContact OE1-CD 3.28Å; E156-K159 WeakPolarHBondContact OE1-CE 3.21Å; E156-K159 IonicContact OE1-NZ 2.76Å; E156-K159 PolarHBondContact OE1-NZ 2.69Å; E156-K159 IonicContact OE2-NZ 2.68Å; V157-K159 PolarHBondContact O-N 3.49Å; K159-I165 WeakPolarHBondContact O-CD1 3.43Å
160	C	96.4	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-19	-167.6	-51.2	0	0	0	0	114	C140 L155 E156 S162 I165	C140-C160 WeakPolarHBondContact CA-SG 3.43Å; C140-C160 HydrophobicContact CB-CB 3.92Å; C140-C160 WeakPolarHBondContact CB-SG 3.21Å; C140-C160 PolarHBondContact N-SG 2.93Å; C140-C160 VanDerWaalsContact N-SG 3.41Å; C140-C160 WeakPolarHBondContact SG-CB 3.13Å; C140-C160 CovalentContact SG-SG 2.02Å; C140-C160 PolarHBondContact SG-SG 3.45Å; L155-C160 HydrophobicContact CB-CB 3.93Å; L155-C160 HydrophobicContact CD2-CB 3.76Å; L155-C160 HydrophobicContact CG-CB 4.44Å; E156-C160 PolarHBondContact N-SG 2.77Å; E156-C160 PolarHBondContact O-N 3.03Å; C160-S162 PolarHBondContact O-N 2.85Å; C160-I165 HydrophobicContact CB-CG2 4.17Å
161	F	94.2	Very high	95.5	Very high	24 Å²	24	22 Å²	22	11%	0.105	13%	0.132	C	C	.	.			trans	-80.3	58.5	-175.7	-69	-76.4	0	0	0	113.4	L96 E100 R134 L155 V157 I166	L96-F161 HydrophobicContact CD2-CD1 4.46Å; L96-F161 HydrophobicContact CD2-CE1 3.34Å; L96-F161 HydrophobicContact CD2-CZ 3.38Å; E100-F161 HydrophobicContact CB-CB 4.46Å; E100-F161 HydrophobicContact CB-CD1 3.52Å; E100-F161 HydrophobicContact CB-CE1 3.78Å; E100-F161 HydrophobicContact CB-CG 3.92Å; E100-F161 HydrophobicContact CB-CZ 4.37Å; E100-F161 HydrophobicContact CG-CB 4.02Å; E100-F161 HydrophobicContact CG-CD1 3.72Å; E100-F161 HydrophobicContact CG-CD2 3.82Å; E100-F161 HydrophobicContact CG-CE1 4.09Å; E100-F161 HydrophobicContact CG-CE2 4.17Å; E100-F161 HydrophobicContact CG-CG 3.57Å; E100-F161 HydrophobicContact CG-CZ 4.29Å; R134-F161 HydrophobicContact CB-CZ 4.39Å; R134-F161 HydrophobicContact CG-CE2 4.17Å; R134-F161 HydrophobicContact CG-CZ 4.08Å; L155-F161 HydrophobicContact CB-CD1 4.49Å; L155-F161 HydrophobicContact CB-CD2 4.49Å; L155-F161 HydrophobicContact CB-CE1 3.85Å; L155-F161 HydrophobicContact CB-CE2 3.87Å; L155-F161 HydrophobicContact CB-CZ 3.51Å; L155-F161 HydrophobicContact CD1-CD1 4.13Å; L155-F161 HydrophobicContact CD1-CE1 3.64Å; L155-F161 HydrophobicContact CD1-CZ 4.17Å; L155-F161 HydrophobicContact CG-CE1 4.42Å; L155-F161 WeakPolarHBondContact O-CE2 3.33Å; V157-F161 HydrophobicContact CG2-CE2 4.25Å; F161-I166 HydrophobicContact CD1-CD1 4.44Å
162	S	93	Very high	95.8	Very high	13 Å²	13	22 Å²	22	9%	0.091	13%	0.131	C	C	.	.	S	Bend	trans	-125.3	149	165.7	73.1	0	0	0	0	109.4	C160 G164 I165 I166	C160-S162 PolarHBondContact O-N 2.85Å; S162-G164 VanDerWaalsContact C-N 3.28Å; S162-G164 PolarHBondContact O-N 3.44Å; S162-I165 PolarHBondContact O-N 2.91Å; S162-I165 WeakPolarHBondContact OG-CD1 3.18Å; S162-I165 VanDerWaalsContact OG-CG1 3.32Å; S162-I165 WeakPolarHBondContact OG-CG1 3.4Å; S162-I166 WeakPolarHBondContact O-CG1 3.44Å; S162-I166 PolarHBondContact O-N 3.15Å
163	K	95	Very high	96	Very high	37 Å²	37	19.5 Å²	19.5	16%	0.161	12%	0.116	C	C	.	.	H	α-helix	trans	-49.9	-46.6	-175.9	-172.3	-164.5	65.7	150.7	0	113	Q106 A107 E110 A167 F253	Q106-K163 HydrophobicContact CB-CB 4.31Å; Q106-K163 HydrophobicContact CB-CD 3.96Å; Q106-K163 HydrophobicContact CB-CG 3.82Å; A107-K163 HydrophobicContact CB-CG 4.21Å; E110-K163 WeakPolarHBondContact OE2-CD 3.23Å; E110-K163 WeakPolarHBondContact OE2-CE 3.27Å; E110-K163 IonicContact OE2-NZ 2.66Å; E110-K163 PolarHBondContact OE2-NZ 2.81Å; K163-A167 VanDerWaalsContact O-CB 3.29Å; K163-A167 WeakPolarHBondContact O-CB 3.27Å; K163-A167 PolarHBondContact O-N 2.78Å; K163-F253 WeakPolarHBondContact CE-O 3.26Å; K163-F253 PolarHBondContact NZ-O 2.74Å; K163-F253 VanDerWaalsContact NZ-O 3.15Å
164	G	95.7	Very high	95.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-77.1	-29.9	-176.1	0	0	0	0	0	114.6	S162 A167 H168 V224 R252	S162-G164 VanDerWaalsContact C-N 3.28Å; S162-G164 PolarHBondContact O-N 3.44Å; G164-A167 PolarHBondContact O-N 3.46Å; G164-H168 PolarHBondContact O-N 3.14Å; G164-V224 WeakPolarHBondContact O-CG2 3.38Å; G164-R252 VanDerWaalsContact CA-O 3.29Å; G164-R252 WeakPolarHBondContact CA-O 3.13Å
165	I	96.3	Very high	95.6	Very high	36 Å²	36	19 Å²	19	19%	0.185	11%	0.112	C	C	.	.	H	α-helix	trans	-71.1	-43.2	171.8	-63.2	171.3	0	0	0	109.9	C140 K159 C160 S162 A167 H168 E169 R252	C140-I165 HydrophobicContact CB-CG2 4.36Å; K159-I165 WeakPolarHBondContact O-CD1 3.43Å; C160-I165 HydrophobicContact CB-CG2 4.17Å; S162-I165 PolarHBondContact O-N 2.91Å; S162-I165 WeakPolarHBondContact OG-CD1 3.18Å; S162-I165 VanDerWaalsContact OG-CG1 3.32Å; S162-I165 WeakPolarHBondContact OG-CG1 3.4Å; I165-A167 VanDerWaalsContact C-N 3.27Å; I165-A167 PolarHBondContact O-N 3.18Å; I165-H168 VanDerWaalsContact O-CB 3.27Å; I165-H168 WeakPolarHBondContact O-CB 3.34Å; I165-H168 PolarHBondContact O-N 2.89Å; I165-H168 VanDerWaalsContact O-N 3.15Å; I165-E169 PolarHBondContact O-N 3.36Å; I165-E169 VanDerWaalsContact O-N 3.08Å; I165-R252 HydrophobicContact CG1-CB 4.05Å; I165-R252 HydrophobicContact CG1-CG 4.11Å
166	I	97.9	Very high	95.4	Very high	2 Å²	2	19 Å²	19	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-58.5	-44.3	172	-66.3	165.3	0	0	0	109.8	A103 L104 A107 L155 F161 S162 H168 E169 L170	A103-I166 HydrophobicContact CB-CD1 3.78Å; L104-I166 HydrophobicContact CD2-CD1 3.94Å; L104-I166 HydrophobicContact CD2-CG1 4.3Å; L104-I166 HydrophobicContact CD2-CG2 3.77Å; L104-I166 HydrophobicContact CG-CD1 4.05Å; A107-I166 HydrophobicContact CB-CB 3.92Å; A107-I166 HydrophobicContact CB-CG2 3.4Å; A107-I166 VanDerWaalsContact CB-CG2 3.4Å; L155-I166 HydrophobicContact CD1-CG1 4.13Å; F161-I166 HydrophobicContact CD1-CD1 4.44Å; S162-I166 WeakPolarHBondContact O-CG1 3.44Å; S162-I166 PolarHBondContact O-N 3.15Å; I166-H168 VanDerWaalsContact C-N 3.26Å; I166-H168 PolarHBondContact O-N 3.25Å; I166-E169 PolarHBondContact O-N 3.1Å; I166-L170 HydrophobicContact CG2-CD1 3.7Å; I166-L170 HydrophobicContact CG2-CG 4.06Å; I166-L170 WeakPolarHBondContact O-CB 3.5Å; I166-L170 WeakPolarHBondContact O-CG 3.31Å; I166-L170 PolarHBondContact O-N 3.15Å
167	A	97.9	Very high	95.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.7	-37.2	178.5	0	0	0	0	0	112.6	Y111 K163 G164 I165 M171 L255	Y111-A167 HydrophobicContact CE2-CB 4.22Å; Y111-A167 PolarHBondContact OH-O 3.42Å; K163-A167 VanDerWaalsContact O-CB 3.29Å; K163-A167 WeakPolarHBondContact O-CB 3.27Å; K163-A167 PolarHBondContact O-N 2.78Å; G164-A167 PolarHBondContact O-N 3.46Å; I165-A167 VanDerWaalsContact C-N 3.27Å; I165-A167 PolarHBondContact O-N 3.18Å; A167-M171 WeakPolarHBondContact O-CB 3.47Å; A167-M171 PolarHBondContact O-N 3.02Å; A167-L255 HydrophobicContact CB-CD2 4.35Å
168	H	97.9	Very high	95	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.009	10%	0.095	C	C	.	.	H	α-helix	trans	-60.6	-54.7	173.2	178.3	91.7	0	0	0	111.9	D45 G164 I165 I166 L170 M171 H172 H178 V224 M225	D45-H168 IonicContact OD2-CD2 3.63Å; D45-H168 IonicContact OD2-NE2 2.6Å; D45-H168 PolarHBondContact OD2-NE2 3.33Å; G164-H168 PolarHBondContact O-N 3.14Å; I165-H168 VanDerWaalsContact O-CB 3.27Å; I165-H168 WeakPolarHBondContact O-CB 3.34Å; I165-H168 PolarHBondContact O-N 2.89Å; I165-H168 VanDerWaalsContact O-N 3.15Å; I166-H168 VanDerWaalsContact C-N 3.26Å; I166-H168 PolarHBondContact O-N 3.25Å; H168-L170 VanDerWaalsContact C-N 3.26Å; H168-L170 PolarHBondContact O-N 3.03Å; H168-M171 WeakPolarHBondContact O-CA 3.49Å; H168-M171 WeakPolarHBondContact O-CB 3.43Å; H168-M171 PolarHBondContact O-N 3.5Å; H168-H172 AromaticContact CD2-CD2 3.92Å; H168-H172 AromaticContact CD2-NE2 3.74Å; H168-H172 AromaticContact CE1-NE2 3.77Å; H168-H172 AromaticContact NE2-CD2 3.86Å; H168-H172 AromaticContact NE2-NE2 3.2Å; H168-H172 PolarHBondContact NE2-NE2 2.82Å; H168-H172 VanDerWaalsContact NE2-NE2 3.2Å; H168-H172 PolarHBondContact O-N 2.65Å; H168-H172 VanDerWaalsContact O-N 3.13Å; H168-H178 AromaticContact CE1-CD2 3.64Å; H168-H178 AromaticContact CE1-NE2 3.42Å; H168-H178 PolarHBondContact CE1-NE2 3.05Å; H168-H178 AromaticContact NE2-NE2 3.46Å; H168-H178 PolarHBondContact NE2-NE2 3.43Å; H168-V224 HydrophobicContact CB-CG2 4.1Å; H168-V224 PolarHBondContact ND1-O 3.32Å; H168-M225 HydrophobicContact CB-SD 4.45Å; H168-M225 PolarHBondContact ND1-SD 3.18Å; H168-M225 VanDerWaalsContact ND1-SD 3.43Å
169	E	97.9	Very high	95.2	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.009	6%	0.056	C	C	.	.	H	α-helix	trans	-60.2	-37.3	179	-60.6	-52.9	149.8	0	0	112.6	C140 S141 S142 V153 L155 I165 I166 M171 H172 V173	C140-E169 HydrophobicContact CB-CG 4.28Å; C140-E169 WeakPolarHBondContact CB-OE1 2.86Å; S141-E169 VanDerWaalsContact CA-OE2 3.31Å; S141-E169 WeakPolarHBondContact CA-OE2 3.21Å; S142-E169 WeakPolarHBondContact CB-O 3.35Å; S142-E169 WeakPolarHBondContact CB-OE2 3.38Å; S142-E169 PolarHBondContact N-OE2 3.02Å; S142-E169 PolarHBondContact OG-O 2.9Å; S142-E169 VanDerWaalsContact OG-O 3.06Å; V153-E169 HydrophobicContact CG1-CB 3.87Å; L155-E169 HydrophobicContact CD2-CG 3.96Å; I165-E169 PolarHBondContact O-N 3.36Å; I165-E169 VanDerWaalsContact O-N 3.08Å; I166-E169 PolarHBondContact O-N 3.1Å; E169-M171 VanDerWaalsContact C-N 3.31Å; E169-H172 WeakPolarHBondContact O-CB 3.38Å; E169-H172 PolarHBondContact O-N 3.19Å; E169-V173 PolarHBondContact O-N 3.23Å; E169-V173 VanDerWaalsContact O-N 3.16Å
170	L	98.2	Very high	95.1	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-71.2	-26.5	175.5	-66.5	-179.8	0	0	0	112.3	A107 F108 Y111 F119 I130 I166 H168 V173 L174	A107-L170 HydrophobicContact CB-CD1 4.26Å; F108-L170 HydrophobicContact CD1-CD1 3.63Å; F108-L170 HydrophobicContact CE1-CD1 3.58Å; F108-L170 HydrophobicContact CE1-CD2 4.2Å; Y111-L170 HydrophobicContact CD2-CD1 4.28Å; Y111-L170 HydrophobicContact CE2-CB 3.68Å; Y111-L170 HydrophobicContact CE2-CD1 4.08Å; F119-L170 HydrophobicContact CD1-CD2 4.36Å; F119-L170 HydrophobicContact CE1-CB 4.42Å; F119-L170 HydrophobicContact CE1-CD1 4.25Å; F119-L170 HydrophobicContact CE1-CD2 3.68Å; F119-L170 HydrophobicContact CE1-CG 4.32Å; F119-L170 HydrophobicContact CE2-CD1 4.05Å; F119-L170 HydrophobicContact CZ-CB 3.87Å; F119-L170 HydrophobicContact CZ-CD1 3.88Å; F119-L170 HydrophobicContact CZ-CD2 3.98Å; F119-L170 HydrophobicContact CZ-CG 4.11Å; I130-L170 HydrophobicContact CD1-CD2 3.99Å; I166-L170 HydrophobicContact CG2-CD1 3.7Å; I166-L170 HydrophobicContact CG2-CG 4.06Å; I166-L170 WeakPolarHBondContact O-CB 3.5Å; I166-L170 WeakPolarHBondContact O-CG 3.31Å; I166-L170 PolarHBondContact O-N 3.15Å; H168-L170 VanDerWaalsContact C-N 3.26Å; H168-L170 PolarHBondContact O-N 3.03Å; L170-V173 HydrophobicContact CD2-CG2 4.47Å; L170-V173 WeakPolarHBondContact O-CB 3.5Å; L170-V173 PolarHBondContact O-N 3.43Å; L170-L174 WeakPolarHBondContact O-CG 3.38Å; L170-L174 PolarHBondContact O-N 2.77Å
171	M	97.8	Very high	94.7	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-73.7	-33.6	175	-154.6	169.1	159.7	0	0	110.6	Y111 A167 H168 E169 L174 G175 F176 V224 M225 L255 D259 I263	Y111-M171 VanDerWaalsContact OH-CA 3.23Å; Y111-M171 WeakPolarHBondContact OH-CA 3.43Å; Y111-M171 WeakPolarHBondContact OH-CB 3.29Å; Y111-M171 PolarHBondContact OH-N 3.22Å; A167-M171 WeakPolarHBondContact O-CB 3.47Å; A167-M171 PolarHBondContact O-N 3.02Å; H168-M171 WeakPolarHBondContact O-CA 3.49Å; H168-M171 WeakPolarHBondContact O-CB 3.43Å; H168-M171 PolarHBondContact O-N 3.5Å; E169-M171 VanDerWaalsContact C-N 3.31Å; M171-L174 PolarHBondContact O-N 2.98Å; M171-L174 VanDerWaalsContact O-N 3.16Å; M171-G175 PolarHBondContact O-N 3.4Å; M171-F176 HydrophobicContact CE-CB 4.09Å; M171-F176 HydrophobicContact CE-CD1 3.74Å; M171-F176 HydrophobicContact CE-CD2 3.93Å; M171-F176 HydrophobicContact CE-CE1 4.17Å; M171-F176 HydrophobicContact CE-CE2 4.33Å; M171-F176 HydrophobicContact CE-CG 3.62Å; M171-F176 HydrophobicContact CE-CZ 4.44Å; M171-F176 HydrophobicContact CG-CB 3.91Å; M171-F176 HydrophobicContact CG-CD2 3.72Å; M171-F176 HydrophobicContact CG-CG 3.93Å; M171-F176 PolarHBondContact O-N 2.93Å; M171-F176 VanDerWaalsContact O-N 3.17Å; M171-V224 HydrophobicContact SD-CG1 3.91Å; M171-M225 HydrophobicContact CB-CE 4.26Å; M171-M225 HydrophobicContact CB-CG 4.36Å; M171-M225 HydrophobicContact CB-SD 3.53Å; M171-M225 VanDerWaalsContact CB-SD 3.53Å; M171-M225 HydrophobicContact CE-CG 3.91Å; M171-M225 HydrophobicContact CG-CG 4.15Å; M171-M225 HydrophobicContact CG-SD 3.98Å; M171-M225 HydrophobicContact SD-CG 3.45Å; M171-M225 WeakPolarHBondContact SD-CG 3.36Å; M171-M225 HydrophobicContact SD-SD 3.81Å; M171-L255 HydrophobicContact SD-CD2 3.99Å; M171-D259 HydrophobicContact CE-CB 3.79Å; M171-D259 HydrophobicContact SD-CB 3.93Å; M171-I263 HydrophobicContact CE-CD1 4.3Å; M171-I263 HydrophobicContact CE-CG1 4.25Å; M171-I263 HydrophobicContact CG-CD1 4.3Å; M171-I263 HydrophobicContact SD-CD1 4.29Å
172	H	95.3	Very high	94.3	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-57.1	-48	165.3	-70.6	-52.7	0	0	0	111.1	D45 F143 V144 G145 H168 E169 L174 G175 F176 H178 M225	D45-H172 IonicContact OD1-NE2 2.9Å; D45-H172 PolarHBondContact OD1-NE2 2.77Å; F143-H172 CarbonylContact O-C 3.54Å; V144-H172 CarbonylContact C-O 3.55Å; V144-H172 VanDerWaalsContact CA-O 3.26Å; V144-H172 WeakPolarHBondContact CA-O 3.46Å; V144-H172 HydrophobicContact CG2-CB 4.26Å; G145-H172 PolarHBondContact N-O 2.86Å; H168-H172 AromaticContact CD2-CD2 3.92Å; H168-H172 AromaticContact CD2-NE2 3.74Å; H168-H172 AromaticContact CE1-NE2 3.77Å; H168-H172 AromaticContact NE2-CD2 3.86Å; H168-H172 AromaticContact NE2-NE2 3.2Å; H168-H172 PolarHBondContact NE2-NE2 2.82Å; H168-H172 VanDerWaalsContact NE2-NE2 3.2Å; H168-H172 PolarHBondContact O-N 2.65Å; H168-H172 VanDerWaalsContact O-N 3.13Å; E169-H172 WeakPolarHBondContact O-CB 3.38Å; E169-H172 PolarHBondContact O-N 3.19Å; H172-L174 PolarHBondContact O-N 2.89Å; H172-G175 PolarHBondContact O-N 2.62Å; H172-F176 WeakPolarHBondContact CA-O 3.37Å; H172-F176 PolarHBondContact ND1-O 3.49Å; H172-H178 AromaticContact CE1-CE1 3.75Å; H172-H178 AromaticContact CE1-NE2 3.82Å; H172-H178 AromaticContact NE2-CE1 3.84Å; H172-H178 AromaticContact NE2-NE2 3.66Å; H172-M225 WeakPolarHBondContact CE1-CE 3.23Å; H172-M225 VanDerWaalsContact ND1-CE 3.34Å; H172-M225 WeakPolarHBondContact ND1-CE 3.26Å; H172-M225 WeakPolarHBondContact NE2-CE 3.17Å
173	V	96.7	Very high	93.5	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-52.7	-34.1	176.3	172.8	0	0	0	0	112.1	W83 V88 I130 S142 F143 G145 V153 E169 L170 G175	W83-V173 HydrophobicContact CZ2-CG1 3.97Å; W83-V173 PolarHBondContact NE1-O 3.32Å; V88-V173 HydrophobicContact CG1-CG1 3.94Å; I130-V173 HydrophobicContact CG2-CG1 3.7Å; I130-V173 HydrophobicContact CG2-CG2 4.19Å; S142-V173 WeakPolarHBondContact OG-CG2 3.34Å; F143-V173 PolarHBondContact O-N 2.82Å; G145-V173 CarbonylContact C-O 3.58Å; G145-V173 VanDerWaalsContact C-O 3.3Å; G145-V173 WeakPolarHBondContact CA-O 3.3Å; V153-V173 HydrophobicContact CG2-CG2 3.6Å; E169-V173 PolarHBondContact O-N 3.23Å; E169-V173 VanDerWaalsContact O-N 3.16Å; L170-V173 HydrophobicContact CD2-CG2 4.47Å; L170-V173 WeakPolarHBondContact O-CB 3.5Å; L170-V173 PolarHBondContact O-N 3.43Å; V173-G175 VanDerWaalsContact C-N 3.27Å; V173-G175 PolarHBondContact O-N 2.69Å
174	L	96	Very high	92.9	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	0.9	179.1	-63.3	175.6	0	0	0	114.7	V88 Y111 I117 L170 M171 H172 F176 I263 Y267	V88-L174 HydrophobicContact CG2-CD2 3.96Å; Y111-L174 HydrophobicContact CD1-CD1 3.82Å; Y111-L174 HydrophobicContact CE1-CD1 3.29Å; I117-L174 HydrophobicContact CD1-CD2 3.86Å; I117-L174 HydrophobicContact CG1-CD1 3.93Å; I117-L174 HydrophobicContact CG1-CD2 4.06Å; I117-L174 HydrophobicContact CG2-CD1 4.17Å; I117-L174 HydrophobicContact CG2-CD2 3.76Å; L170-L174 WeakPolarHBondContact O-CG 3.38Å; L170-L174 PolarHBondContact O-N 2.77Å; M171-L174 PolarHBondContact O-N 2.98Å; M171-L174 VanDerWaalsContact O-N 3.16Å; H172-L174 PolarHBondContact O-N 2.89Å; L174-F176 HydrophobicContact CB-CD2 4.17Å; L174-F176 HydrophobicContact CB-CE2 4.33Å; L174-I263 HydrophobicContact CD1-CD1 4.42Å; L174-I263 HydrophobicContact CD1-CG1 4.38Å; L174-I263 HydrophobicContact CD1-CG2 4.18Å; L174-Y267 WeakPolarHBondContact CA-OH 3.41Å; L174-Y267 HydrophobicContact CB-CE2 4.02Å; L174-Y267 HydrophobicContact CD2-CE2 4.1Å; L174-Y267 WeakPolarHBondContact CD2-OH 3.32Å; L174-Y267 WeakPolarHBondContact O-CE2 3.14Å; L174-Y267 PolarHBondContact O-OH 2.71Å
175	G	90.2	Very high	92.6	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	35.1	176.4	0	0	0	0	0	113.8	A72 V73 M171 H172 V173	A72-G175 CarbonylContact C-O 3.54Å; A72-G175 WeakPolarHBondContact CA-O 3.22Å; V73-G175 PolarHBondContact N-O 3.29Å; M171-G175 PolarHBondContact O-N 3.4Å; H172-G175 PolarHBondContact O-N 2.62Å; V173-G175 VanDerWaalsContact C-N 3.27Å; V173-G175 PolarHBondContact O-N 2.69Å
176	F	92.7	Very high	92.4	Very high	1 Å²	1	7.2 Å²	7.2	0%	0.004	4%	0.038	C	C	.	.	B	Isolated β-bridge	trans	-111.9	139.6	172.8	-68.3	-88.2	0	0	0	111.6	A72 M171 H172 L174 L215 K262 I263 L266	A72-F176 HydrophobicContact CB-CD1 3.96Å; A72-F176 HydrophobicContact CB-CE1 3.6Å; A72-F176 HydrophobicContact CB-CZ 4.23Å; M171-F176 HydrophobicContact CE-CB 4.09Å; M171-F176 HydrophobicContact CE-CD1 3.74Å; M171-F176 HydrophobicContact CE-CD2 3.93Å; M171-F176 HydrophobicContact CE-CE1 4.17Å; M171-F176 HydrophobicContact CE-CE2 4.33Å; M171-F176 HydrophobicContact CE-CG 3.62Å; M171-F176 HydrophobicContact CE-CZ 4.44Å; M171-F176 HydrophobicContact CG-CB 3.91Å; M171-F176 HydrophobicContact CG-CD2 3.72Å; M171-F176 HydrophobicContact CG-CG 3.93Å; M171-F176 PolarHBondContact O-N 2.93Å; M171-F176 VanDerWaalsContact O-N 3.17Å; H172-F176 WeakPolarHBondContact CA-O 3.37Å; H172-F176 PolarHBondContact ND1-O 3.49Å; L174-F176 HydrophobicContact CB-CD2 4.17Å; L174-F176 HydrophobicContact CB-CE2 4.33Å; F176-L215 HydrophobicContact CE1-CD1 4.19Å; F176-L215 HydrophobicContact CZ-CD1 4.33Å; F176-K262 HydrophobicContact CE1-CB 3.66Å; F176-K262 HydrophobicContact CE1-CD 4.42Å; F176-K262 HydrophobicContact CE1-CG 4.46Å; F176-K262 HydrophobicContact CZ-CB 3.96Å; F176-I263 HydrophobicContact CD2-CG1 4.34Å; F176-I263 HydrophobicContact CE2-CB 4.38Å; F176-I263 HydrophobicContact CE2-CG1 3.62Å; F176-I263 HydrophobicContact CZ-CG1 4.02Å; F176-L266 HydrophobicContact CD2-CD2 4.49Å; F176-L266 HydrophobicContact CE1-CD2 4.42Å; F176-L266 HydrophobicContact CE2-CD2 3.64Å; F176-L266 HydrophobicContact CZ-CB 4.14Å; F176-L266 HydrophobicContact CZ-CD2 3.6Å
177	F	89.6	Confident	92.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.			trans	-96.7	-177.8	168.5	-64.8	-95.8	0	0	0	110	F42 I46 F49 T71 V73 V144 V211 L212	F42-F177 AromaticContact CE1-CD1 3.98Å; F42-F177 HydrophobicContact CE1-CD1 3.98Å; F42-F177 AromaticContact CE1-CE1 3.94Å; F42-F177 HydrophobicContact CE1-CE1 3.94Å; I46-F177 HydrophobicContact CD1-CD1 3.73Å; I46-F177 HydrophobicContact CD1-CE1 4.35Å; F49-F177 HydrophobicContact CE1-CZ 4.26Å; F49-F177 HydrophobicContact CE2-CE1 4.42Å; F49-F177 HydrophobicContact CE2-CZ 4.23Å; F49-F177 HydrophobicContact CZ-CE1 4.4Å; F49-F177 AromaticContact CZ-CZ 3.88Å; F49-F177 HydrophobicContact CZ-CZ 3.88Å; T71-F177 PolarHBondContact O-N 2.9Å; V73-F177 HydrophobicContact CG1-CE2 3.83Å; V144-F177 HydrophobicContact CB-CE1 4.23Å; V144-F177 HydrophobicContact CB-CE2 4.47Å; V144-F177 HydrophobicContact CB-CZ 4.11Å; V144-F177 HydrophobicContact CG1-CD2 3.93Å; V144-F177 HydrophobicContact CG1-CE1 4.19Å; V144-F177 HydrophobicContact CG1-CE2 3.62Å; V144-F177 HydrophobicContact CG1-CG 4.4Å; V144-F177 HydrophobicContact CG1-CZ 3.75Å; V144-F177 HydrophobicContact CG2-CD1 4.09Å; V144-F177 HydrophobicContact CG2-CE1 3.96Å; V144-F177 HydrophobicContact CG2-CZ 4.33Å; F177-V211 HydrophobicContact CE2-CG1 4.21Å; F177-V211 HydrophobicContact CZ-CG1 4.02Å; F177-L212 HydrophobicContact CB-CD2 3.73Å; F177-L212 HydrophobicContact CD1-CD2 4.34Å; F177-L212 HydrophobicContact CD2-CD2 3.03Å; F177-L212 HydrophobicContact CE2-CD2 3.57Å; F177-L212 HydrophobicContact CG-CD2 3.46Å; F177-L212 VanDerWaalsContact CG-CD2 3.46Å; F177-L212 HydrophobicContact CZ-CD2 4.43Å
178	H	93.1	Very high	91.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.08	C	C	.	.			trans	-68.7	149.3	179.1	-66.9	105.4	0	0	0	114.1	E43 D45 H168 H172 H180 S181 M225 Y227	E43-H178 WeakPolarHBondContact CB-ND1 3.44Å; E43-H178 IonicContact OE2-CE1 3.91Å; E43-H178 IonicContact OE2-CG 3.96Å; E43-H178 IonicContact OE2-ND1 3.01Å; E43-H178 PolarHBondContact OE2-ND1 3.04Å; D45-H178 IonicContact OD1-CE1 3.77Å; D45-H178 PolarHBondContact OD1-CE1 3.18Å; D45-H178 IonicContact OD1-NE2 2.82Å; D45-H178 PolarHBondContact OD1-NE2 3.23Å; D45-H178 IonicContact OD2-CE1 3.44Å; D45-H178 IonicContact OD2-NE2 3.89Å; H168-H178 AromaticContact CE1-CD2 3.64Å; H168-H178 AromaticContact CE1-NE2 3.42Å; H168-H178 PolarHBondContact CE1-NE2 3.05Å; H168-H178 AromaticContact NE2-NE2 3.46Å; H168-H178 PolarHBondContact NE2-NE2 3.43Å; H172-H178 AromaticContact CE1-CE1 3.75Å; H172-H178 AromaticContact CE1-NE2 3.82Å; H172-H178 AromaticContact NE2-CE1 3.84Å; H172-H178 AromaticContact NE2-NE2 3.66Å; H178-H180 WeakPolarHBondContact CB-CE1 3.36Å; H178-H180 AromaticContact CG-CE1 3.69Å; H178-S181 PolarHBondContact O-N 3.26Å; H178-M225 VanDerWaalsContact CA-O 3.31Å; H178-M225 WeakPolarHBondContact CA-O 3.47Å; H178-M225 PolarHBondContact CD2-O 2.95Å; H178-M225 VanDerWaalsContact CD2-O 3.3Å; H178-Y227 AromaticContact CD2-CD1 3.69Å; H178-Y227 AromaticContact CD2-CE1 3.46Å; H178-Y227 VanDerWaalsContact CD2-CE1 3.46Å; H178-Y227 WeakPolarHBondContact CD2-CE1 3.45Å; H178-Y227 AromaticContact CE1-CE1 3.58Å; H178-Y227 AromaticContact CG-CE1 3.89Å; H178-Y227 AromaticContact ND1-CE1 3.96Å; H178-Y227 AromaticContact NE2-CD1 3.88Å; H178-Y227 AromaticContact NE2-CE1 3.23Å; H178-Y227 WeakPolarHBondContact NE2-CE1 3.43Å
179	E	93.9	Very high	91.8	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.009	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-69.7	-32.9	-180	-166.9	72.6	-174	0	0	112.4	T71 S181 R182 Y219 D220 M225 H226 K262	T71-E179 WeakPolarHBondContact CG2-OE2 3.47Å; E179-S181 PolarHBondContact O-N 3.45Å; E179-R182 VanDerWaalsContact O-CD 3.3Å; E179-R182 WeakPolarHBondContact O-CD 3.43Å; E179-R182 WeakPolarHBondContact O-CG 3.29Å; E179-R182 WeakPolarHBondContact OE1-CD 3.37Å; E179-R182 IonicContact OE1-NH1 3.27Å; E179-Y219 HydrophobicContact CG-CE1 4.23Å; E179-Y219 HydrophobicContact CG-CE2 4.27Å; E179-Y219 WeakPolarHBondContact O-CE2 3.13Å; E179-D220 PolarHBondContact OE1-N 3.33Å; E179-M225 PolarHBondContact N-O 3.29Å; E179-H226 HydrophobicContact CB-CB 3.97Å; E179-K262 IonicContact OE1-NZ 2.71Å; E179-K262 PolarHBondContact OE1-NZ 3.39Å; E179-K262 IonicContact OE2-NZ 2.81Å; E179-K262 PolarHBondContact OE2-NZ 2.85Å
180	H	91.8	Very high	91.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-75	-8	-179.8	70.5	-84.2	0	0	0	113.3	H178 R185 N203 Y227 I240	H178-H180 WeakPolarHBondContact CB-CE1 3.36Å; H178-H180 AromaticContact CG-CE1 3.69Å; H180-R185 VanDerWaalsContact O-CB 3.31Å; H180-R185 WeakPolarHBondContact O-CB 3.41Å; H180-R185 WeakPolarHBondContact O-CD 3.41Å; H180-R185 WeakPolarHBondContact O-CG 3.45Å; H180-R185 PolarHBondContact O-NH1 3.27Å; H180-N203 PolarHBondContact NE2-O 2.81Å; H180-N203 VanDerWaalsContact NE2-O 3.12Å; H180-Y227 AromaticContact CE1-CD1 3.66Å; H180-Y227 AromaticContact CE1-CD2 3.12Å; H180-Y227 WeakPolarHBondContact CE1-CD2 3.47Å; H180-Y227 AromaticContact CE1-CE1 3.8Å; H180-Y227 AromaticContact CE1-CE2 3.21Å; H180-Y227 WeakPolarHBondContact CE1-CE2 3.45Å; H180-Y227 AromaticContact CE1-CG 3.33Å; H180-Y227 AromaticContact CE1-CZ 3.56Å; H180-Y227 AromaticContact ND1-CD1 3.9Å; H180-Y227 AromaticContact ND1-CD2 3.56Å; H180-Y227 AromaticContact ND1-CG 3.42Å; H180-Y227 AromaticContact NE2-CD2 3.55Å; H180-Y227 AromaticContact NE2-CE2 3.49Å; H180-Y227 WeakPolarHBondContact NE2-CE2 3.48Å; H180-I240 HydrophobicContact CB-CD1 4.23Å
181	S	87	Confident	91.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-95	-0.9	-177.1	-46	0	0	0	0	112.7	E43 H178 E179	E43-S181 WeakPolarHBondContact OE1-CB 3.41Å; E43-S181 PolarHBondContact OE1-OG 2.91Å; H178-S181 PolarHBondContact O-N 3.26Å; E179-S181 PolarHBondContact O-N 3.45Å
182	R	85.9	Confident	91.5	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	12%	0.119	C	C	.	.	S	Bend	trans	-52.9	143.6	171.9	-69.8	172.9	58.8	107.9	-3.4	111.6	H69 H70 T71 E179 D184 R185 M217 Y219	H69-R182 VanDerWaalsContact CB-NH2 3.27Å; H70-R182 WeakPolarHBondContact O-CA 3.26Å; H70-R182 VanDerWaalsContact O-CG 3.28Å; H70-R182 WeakPolarHBondContact O-CG 3.19Å; T71-R182 HydrophobicContact CG2-CG 3.15Å; E179-R182 VanDerWaalsContact O-CD 3.3Å; E179-R182 WeakPolarHBondContact O-CD 3.43Å; E179-R182 WeakPolarHBondContact O-CG 3.29Å; E179-R182 WeakPolarHBondContact OE1-CD 3.37Å; E179-R182 IonicContact OE1-NH1 3.27Å; R182-D184 VanDerWaalsContact CB-OD1 3.23Å; R182-D184 WeakPolarHBondContact CB-OD1 3.31Å; R182-D184 IonicContact CZ-OD1 3.99Å; R182-D184 IonicContact CZ-OD2 3.32Å; R182-D184 IonicContact NE-OD1 2.7Å; R182-D184 PolarHBondContact NE-OD1 2.86Å; R182-D184 IonicContact NE-OD2 3.77Å; R182-D184 IonicContact NH2-OD1 3.42Å; R182-D184 PolarHBondContact NH2-OD1 2.87Å; R182-D184 IonicContact NH2-OD2 3.72Å; R182-D184 PolarHBondContact NH2-OD2 2.73Å; R182-D184 PolarHBondContact O-N 3.37Å; R182-D184 VanDerWaalsContact O-N 3.16Å; R182-R185 HydrophobicContact CB-CB 4.3Å; R182-R185 VanDerWaalsContact O-CB 3.26Å; R182-R185 WeakPolarHBondContact O-CB 3.46Å; R182-R185 WeakPolarHBondContact O-CG 3.48Å; R182-R185 PolarHBondContact O-N 2.9Å; R182-R185 VanDerWaalsContact O-N 3.08Å; R182-M217 PolarHBondContact NH1-O 3.2Å; R182-M217 PolarHBondContact NH2-O 3.19Å; R182-Y219 HydrophobicContact CB-CE2 4.49Å; R182-Y219 VanDerWaalsContact CD-CD2 3.49Å
183	T	76.6	Confident	91.4	Very high	30 Å²	30	31 Å²	31	18%	0.184	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.4	176.3	58.3	0	0	0	0	113.5	I57 K68 H69 Y207	I57-T183 HydrophobicContact CD1-CG2 3.96Å; K68-T183 PolarHBondContact O-OG1 2.86Å; H69-T183 WeakPolarHBondContact CA-OG1 3.22Å; H69-T183 PolarHBondContact O-N 2.97Å; H69-T183 PolarHBondContact O-OG1 2.77Å; T183-Y207 WeakPolarHBondContact CG2-O 3.13Å
184	D	81.8	Confident	91.4	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.07	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	4.4	179.5	70.1	-16	0	0	0	114.3	H69 R182 D186 K187 F188	H69-D184 HydrophobicContact CB-CB 4.15Å; H69-D184 WeakPolarHBondContact CB-OD2 3.43Å; H69-D184 IonicContact CD2-OD2 2.65Å; H69-D184 IonicContact CG-OD2 3.95Å; H69-D184 VanDerWaalsContact CG-OD2 3.32Å; H69-D184 IonicContact ND1-OD2 3.9Å; H69-D184 PolarHBondContact ND1-OD2 2.84Å; R182-D184 VanDerWaalsContact CB-OD1 3.23Å; R182-D184 WeakPolarHBondContact CB-OD1 3.31Å; R182-D184 IonicContact CZ-OD1 3.99Å; R182-D184 IonicContact CZ-OD2 3.32Å; R182-D184 IonicContact NE-OD1 2.7Å; R182-D184 PolarHBondContact NE-OD1 2.86Å; R182-D184 IonicContact NE-OD2 3.77Å; R182-D184 IonicContact NH2-OD1 3.42Å; R182-D184 PolarHBondContact NH2-OD1 2.87Å; R182-D184 IonicContact NH2-OD2 3.72Å; R182-D184 PolarHBondContact NH2-OD2 2.73Å; R182-D184 PolarHBondContact O-N 3.37Å; R182-D184 VanDerWaalsContact O-N 3.16Å; D184-D186 PolarHBondContact O-N 2.77Å; D184-D186 VanDerWaalsContact O-N 3.1Å; D184-K187 HydrophobicContact CB-CD 4.45Å; D184-K187 WeakPolarHBondContact O-CB 3.4Å; D184-K187 PolarHBondContact O-N 3.42Å; D184-F188 HydrophobicContact CB-CE2 4.38Å; D184-F188 WeakPolarHBondContact O-CD2 3.46Å; D184-F188 WeakPolarHBondContact OD2-CE2 3.32Å
185	R	90.6	Very high	91.3	Very high	21 Å²	21	37 Å²	37	8%	0.079	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-55.8	-32.7	-172.6	66.2	109.7	-176.1	-77.1	7.2	113.7	H180 R182 K187 F188 V189 F204 K206 Y219	H180-R185 VanDerWaalsContact O-CB 3.31Å; H180-R185 WeakPolarHBondContact O-CB 3.41Å; H180-R185 WeakPolarHBondContact O-CD 3.41Å; H180-R185 WeakPolarHBondContact O-CG 3.45Å; H180-R185 PolarHBondContact O-NH1 3.27Å; R182-R185 HydrophobicContact CB-CB 4.3Å; R182-R185 VanDerWaalsContact O-CB 3.26Å; R182-R185 WeakPolarHBondContact O-CB 3.46Å; R182-R185 WeakPolarHBondContact O-CG 3.48Å; R182-R185 PolarHBondContact O-N 2.9Å; R182-R185 VanDerWaalsContact O-N 3.08Å; R185-K187 PolarHBondContact O-N 3.4Å; R185-K187 VanDerWaalsContact O-N 3.11Å; R185-F188 CarbonylContact O-C 3.45Å; R185-F188 WeakPolarHBondContact O-CA 3.41Å; R185-F188 PolarHBondContact O-N 3.44Å; R185-V189 HydrophobicContact CB-CG2 4.11Å; R185-V189 WeakPolarHBondContact O-CG2 3.29Å; R185-V189 PolarHBondContact O-N 3.19Å; R185-F204 PolarHBondContact NH1-O 2.6Å; R185-F204 PolarHBondContact NH2-O 3.17Å; R185-K206 HydrophobicContact CG-CD 4.02Å; R185-K206 HydrophobicContact CG-CG 4.07Å; R185-Y219 HydrophobicContact CB-CE2 3.85Å
186	D	91.9	Very high	91.3	Very high	75 Å²	75	37.4 Å²	37.4	40%	0.401	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-67.4	-13.1	-178.7	-58.5	-40	0	0	0	113.3	D184 F188 V189 K206	D184-D186 PolarHBondContact O-N 2.77Å; D184-D186 VanDerWaalsContact O-N 3.1Å; D186-F188 VanDerWaalsContact C-N 3.31Å; D186-V189 WeakPolarHBondContact CA-O 3.49Å; D186-K206 WeakPolarHBondContact OD2-CE 3.35Å; D186-K206 IonicContact OD2-NZ 3.81Å; D186-K206 PolarHBondContact OD2-NZ 2.81Å
187	K	91.6	Very high	91.1	Very high	148 Å²	148	40.4 Å²	40.4	64%	0.643	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-76.8	-19.4	168.5	-60.9	179.4	-176.9	174.5	0	112.8	D184 R185	D184-K187 HydrophobicContact CB-CD 4.45Å; D184-K187 WeakPolarHBondContact O-CB 3.4Å; D184-K187 PolarHBondContact O-N 3.42Å; R185-K187 PolarHBondContact O-N 3.4Å; R185-K187 VanDerWaalsContact O-N 3.11Å
188	F	93.9	Very high	91	Very high	58 Å²	58	45.1 Å²	45.1	25%	0.254	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-31.1	-169.4	-60.8	-79.5	0	0	0	113	D184 R185 D186 Y219 Y221 V243	D184-F188 HydrophobicContact CB-CE2 4.38Å; D184-F188 WeakPolarHBondContact O-CD2 3.46Å; D184-F188 WeakPolarHBondContact OD2-CE2 3.32Å; R185-F188 CarbonylContact O-C 3.45Å; R185-F188 WeakPolarHBondContact O-CA 3.41Å; R185-F188 PolarHBondContact O-N 3.44Å; D186-F188 VanDerWaalsContact C-N 3.31Å; F188-Y219 HydrophobicContact CB-CD1 3.67Å; F188-Y219 HydrophobicContact CB-CD2 3.92Å; F188-Y219 HydrophobicContact CB-CE1 3.89Å; F188-Y219 HydrophobicContact CB-CE2 4.12Å; F188-Y219 HydrophobicContact CB-CG 3.72Å; F188-Y219 HydrophobicContact CD1-CD1 4.23Å; F188-Y219 AromaticContact CD1-CG 3.98Å; F188-Y219 HydrophobicContact CD1-CG 3.98Å; F188-Y219 HydrophobicContact CD2-CD1 4.35Å; F188-Y219 AromaticContact CD2-CD2 3.47Å; F188-Y219 HydrophobicContact CD2-CD2 3.47Å; F188-Y219 VanDerWaalsContact CD2-CD2 3.47Å; F188-Y219 HydrophobicContact CD2-CE2 4.29Å; F188-Y219 AromaticContact CD2-CG 3.52Å; F188-Y219 HydrophobicContact CD2-CG 3.52Å; F188-Y219 HydrophobicContact CE2-CD2 4.16Å; F188-Y219 HydrophobicContact CE2-CG 4.11Å; F188-Y219 AromaticContact CG-CD1 3.83Å; F188-Y219 HydrophobicContact CG-CD1 3.83Å; F188-Y219 AromaticContact CG-CD2 3.79Å; F188-Y219 HydrophobicContact CG-CD2 3.79Å; F188-Y219 HydrophobicContact CG-CE2 4.47Å; F188-Y219 AromaticContact CG-CG 3.45Å; F188-Y219 HydrophobicContact CG-CG 3.45Å; F188-Y219 VanDerWaalsContact CG-CG 3.45Å; F188-Y221 VanDerWaalsContact CA-OH 3.3Å; F188-Y221 WeakPolarHBondContact CA-OH 3.39Å; F188-Y221 HydrophobicContact CB-CE1 4.17Å; F188-Y221 WeakPolarHBondContact CB-OH 3.17Å; F188-Y221 HydrophobicContact CD1-CE2 4.39Å; F188-Y221 WeakPolarHBondContact O-CE1 3.25Å; F188-Y221 PolarHBondContact O-OH 3.04Å; F188-V243 WeakPolarHBondContact O-CB 3.46Å; F188-V243 WeakPolarHBondContact O-CG2 3.36Å; F188-V243 PolarHBondContact O-N 3.16Å
189	V	95.6	Very high	90.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154.5	179.8	-62.8	0	0	0	0	110.7	R185 D186 I191 Y219 Y221 I240 L241	R185-V189 HydrophobicContact CB-CG2 4.11Å; R185-V189 WeakPolarHBondContact O-CG2 3.29Å; R185-V189 PolarHBondContact O-N 3.19Å; D186-V189 WeakPolarHBondContact CA-O 3.49Å; V189-I191 HydrophobicContact CG2-CD1 4.37Å; V189-Y219 HydrophobicContact CG1-CE1 4.31Å; V189-Y221 HydrophobicContact CG1-CD1 4.4Å; V189-Y221 HydrophobicContact CG1-CE1 3.89Å; V189-I240 HydrophobicContact CB-CG2 3.72Å; V189-I240 HydrophobicContact CG1-CG2 3.87Å; V189-I240 HydrophobicContact CG2-CG2 4.15Å; V189-L241 CarbonylContact C-O 3.56Å; V189-L241 VanDerWaalsContact CA-O 3.31Å; V189-L241 WeakPolarHBondContact CA-O 3.33Å
190	R	95.6	Very high	90.3	Very high	161 Å²	161	48.8 Å²	48.8	61%	0.608	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	126.9	169.5	-66.1	172.4	60.7	-168.1	-0	108.7	I192 L241 V243	R190-I192 HydrophobicContact CB-CD1 4.16Å; R190-L241 HydrophobicContact CB-CB 4.49Å; R190-L241 PolarHBondContact N-O 2.91Å; R190-L241 PolarHBondContact O-N 2.89Å; R190-V243 HydrophobicContact CG-CG2 4.34Å
191	I	95.4	Very high	90	Very high	28 Å²	28	52.8 Å²	52.8	14%	0.144	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.8	169.5	-50.9	-53	0	0	0	108.2	V189 D193 I196 F204 T239 I240	V189-I191 HydrophobicContact CG2-CD1 4.37Å; I191-D193 WeakPolarHBondContact CG2-OD1 3.27Å; I191-I196 HydrophobicContact CG2-CD1 3.64Å; I191-F204 HydrophobicContact CD1-CD1 4Å; I191-F204 HydrophobicContact CG2-CB 4.16Å; I191-F204 HydrophobicContact CG2-CD1 4.04Å; I191-F204 HydrophobicContact CG2-CG 4.17Å; I191-T239 CarbonylContact C-O 3.57Å; I191-T239 WeakPolarHBondContact CA-O 3.21Å; I191-I240 HydrophobicContact CD1-CG1 4Å; I191-I240 HydrophobicContact CD1-CG2 4.33Å
192	I	96.1	Very high	89.6	Confident	18 Å²	18	55.5 Å²	55.5	9%	0.092	29%	0.285	C	S	.	.			trans	-109.9	80.2	-175.2	-48.5	-60.3	0	0	0	108.8	R190 H194 N195 T239 L241	R190-I192 HydrophobicContact CB-CD1 4.16Å; I192-H194 VanDerWaalsContact C-N 3.25Å; I192-H194 WeakPolarHBondContact CG2-CE1 3.29Å; I192-H194 WeakPolarHBondContact CG2-NE2 3.4Å; I192-H194 PolarHBondContact O-N 2.87Å; I192-H194 VanDerWaalsContact O-N 3.14Å; I192-N195 HydrophobicContact CG2-CB 4.28Å; I192-N195 VanDerWaalsContact CG2-ND2 3.34Å; I192-N195 WeakPolarHBondContact CG2-ND2 3.32Å; I192-N195 WeakPolarHBondContact O-CB 3.35Å; I192-N195 PolarHBondContact O-N 3.01Å; I192-T239 PolarHBondContact N-O 3.44Å; I192-L241 HydrophobicContact CD1-CD1 3.91Å; I192-L241 HydrophobicContact CD1-CG 4.44Å; I192-L241 HydrophobicContact CG1-CD1 3.92Å; I192-L241 HydrophobicContact CG1-CG 4.09Å
193	D	93.8	Very high	89.5	Confident	94 Å²	94	55.5 Å²	55.5	50%	0.503	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-54.7	-38.4	-168.4	-59	-6.2	0	0	0	113.6	I191 N195 I196 L201	I191-D193 WeakPolarHBondContact CG2-OD1 3.27Å; D193-N195 PolarHBondContact O-N 3.41Å; D193-N195 VanDerWaalsContact O-N 3.12Å; D193-I196 WeakPolarHBondContact O-CB 3.41Å; D193-I196 PolarHBondContact O-N 2.88Å; D193-L201 HydrophobicContact CB-CD1 4.32Å
194	H	95.7	Very high	89.9	Confident	118 Å²	118	54.2 Å²	54.2	55%	0.546	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-68.6	-9	178.6	69	-99.4	0	0	0	114.2	I192 R234	I192-H194 VanDerWaalsContact C-N 3.25Å; I192-H194 WeakPolarHBondContact CG2-CE1 3.29Å; I192-H194 WeakPolarHBondContact CG2-NE2 3.4Å; I192-H194 PolarHBondContact O-N 2.87Å; I192-H194 VanDerWaalsContact O-N 3.14Å; H194-R234 PolarHBondContact O-NE 3.42Å; H194-R234 PolarHBondContact O-NH2 3.15Å
195	N	95	Very high	89.7	Confident	9 Å²	9	56.4 Å²	56.4	5%	0.048	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-96.8	-7.4	171.6	-69	-23.6	0	0	0	112.5	I192 D193 S233 R234 N235 A238 T239	I192-N195 HydrophobicContact CG2-CB 4.28Å; I192-N195 VanDerWaalsContact CG2-ND2 3.34Å; I192-N195 WeakPolarHBondContact CG2-ND2 3.32Å; I192-N195 WeakPolarHBondContact O-CB 3.35Å; I192-N195 PolarHBondContact O-N 3.01Å; D193-N195 PolarHBondContact O-N 3.41Å; D193-N195 VanDerWaalsContact O-N 3.12Å; N195-S233 CarbonylContact O-C 3.23Å; N195-S233 WeakPolarHBondContact O-CA 3.34Å; N195-R234 WeakPolarHBondContact O-CG 3.45Å; N195-R234 PolarHBondContact O-N 2.99Å; N195-N235 PolarHBondContact OD1-ND2 2.94Å; N195-N235 PolarHBondContact OD1-OD1 3.13Å; N195-A238 PolarHBondContact ND2-O 3.28Å; N195-T239 HydrophobicContact CB-CG2 4.02Å
196	I	90	Very high	88.9	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.041	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-84.8	140.8	-177	-59.9	173.7	0	0	0	110.3	I191 D193 M200 L201 F204 F232 R234 T239	I191-I196 HydrophobicContact CG2-CD1 3.64Å; D193-I196 WeakPolarHBondContact O-CB 3.41Å; D193-I196 PolarHBondContact O-N 2.88Å; I196-M200 HydrophobicContact CG2-CB 3.88Å; I196-L201 HydrophobicContact CD1-CD1 3.71Å; I196-F204 HydrophobicContact CD1-CD1 4.4Å; I196-F204 HydrophobicContact CD1-CD2 3.65Å; I196-F204 HydrophobicContact CD1-CE1 4.38Å; I196-F204 HydrophobicContact CD1-CE2 3.65Å; I196-F204 HydrophobicContact CD1-CG 4.03Å; I196-F204 HydrophobicContact CD1-CZ 4.02Å; I196-F204 HydrophobicContact CG1-CD2 4.49Å; I196-F204 HydrophobicContact CG1-CE2 4.02Å; I196-F204 HydrophobicContact CG1-CZ 4.22Å; I196-F204 HydrophobicContact CG2-CD2 4.35Å; I196-F204 HydrophobicContact CG2-CE2 3.84Å; I196-F232 WeakPolarHBondContact CA-O 3.46Å; I196-F232 HydrophobicContact CG2-CB 4.38Å; I196-R234 WeakPolarHBondContact O-CD 3.44Å; I196-T239 HydrophobicContact CB-CG2 4.49Å; I196-T239 HydrophobicContact CG1-CG2 3.63Å
197	I	88.2	Confident	87.7	Confident	65 Å²	65	53.3 Å²	53.3	33%	0.333	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-56	129.4	172.6	-66.1	161.9	0	0	0	109.4	G199 M200 F232 R234	I197-G199 PolarHBondContact O-N 2.92Å; I197-M200 HydrophobicContact CB-CB 4.26Å; I197-M200 HydrophobicContact CB-CG 3.77Å; I197-M200 HydrophobicContact CG2-CG 3.87Å; I197-M200 WeakPolarHBondContact O-CB 3.28Å; I197-M200 PolarHBondContact O-N 2.58Å; I197-F232 WeakPolarHBondContact CG1-O 3.11Å; I197-F232 PolarHBondContact N-O 3.07Å; I197-R234 HydrophobicContact CB-CB 4.44Å; I197-R234 HydrophobicContact CG1-CB 3.78Å
198	P	87.5	Confident	86.1	Confident	99 Å²	99	47.6 Å²	47.6	64%	0.643	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.4	131.2	176.3	-28	35.7	0	0	0	112
199	G	84.6	Confident	84.4	Confident	60 Å²	60	46.4 Å²	46.4	62%	0.619	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	87	-7.7	-176.1	0	0	0	0	0	115.8	I197	I197-G199 PolarHBondContact O-N 2.92Å
200	M	87.2	Confident	82.3	Confident	18 Å²	18	51.6 Å²	51.6	9%	0.089	27%	0.273	C	S	.	.			trans	-97.2	0.2	179.5	-60.9	-63.3	-178.4	0	0	114.4	L39 I196 I197 K202 N203 F232	L39-M200 HydrophobicContact CD2-CE 3.24Å; L39-M200 HydrophobicContact CD2-SD 3.99Å; L39-M200 HydrophobicContact CG-CE 3.66Å; I196-M200 HydrophobicContact CG2-CB 3.88Å; I197-M200 HydrophobicContact CB-CB 4.26Å; I197-M200 HydrophobicContact CB-CG 3.77Å; I197-M200 HydrophobicContact CG2-CG 3.87Å; I197-M200 WeakPolarHBondContact O-CB 3.28Å; I197-M200 PolarHBondContact O-N 2.58Å; M200-K202 PolarHBondContact O-N 2.98Å; M200-N203 WeakPolarHBondContact O-CB 3.44Å; M200-N203 PolarHBondContact O-N 3.43Å; M200-N203 VanDerWaalsContact O-N 3.09Å; M200-F232 HydrophobicContact CB-CB 4Å; M200-F232 HydrophobicContact CB-CD1 4.1Å; M200-F232 HydrophobicContact CB-CG 4.15Å; M200-F232 HydrophobicContact CG-CB 4.43Å; M200-F232 HydrophobicContact CG-CD1 3.98Å; M200-F232 HydrophobicContact CG-CG 4.48Å; M200-F232 HydrophobicContact SD-CD1 4.02Å; M200-F232 HydrophobicContact SD-CE1 4.24Å
201	L	86.2	Confident	80.3	Confident	85 Å²	85	44.4 Å²	44.4	45%	0.445	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-59.4	-30.7	-179.5	-170.5	64.1	0	0	0	112.3	D193 I196 N203 F204	D193-L201 HydrophobicContact CB-CD1 4.32Å; I196-L201 HydrophobicContact CD1-CD1 3.71Å; L201-N203 PolarHBondContact O-N 3.28Å; L201-N203 VanDerWaalsContact O-N 3.13Å; L201-F204 WeakPolarHBondContact O-CB 3.41Å; L201-F204 PolarHBondContact O-N 3.39Å
202	K	78.9	Confident	78.5	Confident	56 Å²	56	43 Å²	43	24%	0.243	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-53.2	-30.7	174.6	65.1	-179.2	-174.4	171.6	0	114.1	L39 W51 M200 F204 E205	L39-K202 PolarHBondContact O-NZ 3.24Å; W51-K202 HydrophobicContact CH2-CB 3.88Å; W51-K202 HydrophobicContact CH2-CD 4.33Å; W51-K202 HydrophobicContact CH2-CG 4Å; W51-K202 VanDerWaalsContact CH2-O 3.26Å; W51-K202 WeakPolarHBondContact CH2-O 3.5Å; W51-K202 HydrophobicContact CZ2-CB 4.19Å; W51-K202 HydrophobicContact CZ2-CD 3.75Å; W51-K202 HydrophobicContact CZ2-CG 3.88Å; W51-K202 HydrophobicContact CZ3-CB 4.09Å; W51-K202 WeakPolarHBondContact CZ3-O 3.35Å; M200-K202 PolarHBondContact O-N 2.98Å; K202-F204 PolarHBondContact O-N 3.13Å; K202-E205 PolarHBondContact O-N 2.94Å
203	N	82.6	Confident	76.7	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-74.6	-2.5	178.5	-61.5	-29.8	0	0	0	113.4	E43 H180 M200 L201 F232	E43-N203 WeakPolarHBondContact CA-OD1 3.35Å; E43-N203 PolarHBondContact N-OD1 3.16Å; H180-N203 PolarHBondContact NE2-O 2.81Å; H180-N203 VanDerWaalsContact NE2-O 3.12Å; M200-N203 WeakPolarHBondContact O-CB 3.44Å; M200-N203 PolarHBondContact O-N 3.43Å; M200-N203 VanDerWaalsContact O-N 3.09Å; L201-N203 PolarHBondContact O-N 3.28Å; L201-N203 VanDerWaalsContact O-N 3.13Å; N203-F232 HydrophobicContact CB-CD2 4.17Å; N203-F232 HydrophobicContact CB-CE2 3.78Å; N203-F232 HydrophobicContact CB-CZ 4.18Å; N203-F232 WeakPolarHBondContact ND2-CE1 3.45Å; N203-F232 VanDerWaalsContact ND2-CZ 3.27Å; N203-F232 WeakPolarHBondContact ND2-CZ 3.27Å
204	F	85.3	Confident	74.9	Confident	3 Å²	3	40.2 Å²	40.2	1%	0.013	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-117.6	11.2	177.1	-59.2	-96.2	0	0	0	111.6	R185 I191 I196 L201 K202 Y227 A231 F232 I240	R185-F204 PolarHBondContact NH1-O 2.6Å; R185-F204 PolarHBondContact NH2-O 3.17Å; I191-F204 HydrophobicContact CD1-CD1 4Å; I191-F204 HydrophobicContact CG2-CB 4.16Å; I191-F204 HydrophobicContact CG2-CD1 4.04Å; I191-F204 HydrophobicContact CG2-CG 4.17Å; I196-F204 HydrophobicContact CD1-CD1 4.4Å; I196-F204 HydrophobicContact CD1-CD2 3.65Å; I196-F204 HydrophobicContact CD1-CE1 4.38Å; I196-F204 HydrophobicContact CD1-CE2 3.65Å; I196-F204 HydrophobicContact CD1-CG 4.03Å; I196-F204 HydrophobicContact CD1-CZ 4.02Å; I196-F204 HydrophobicContact CG1-CD2 4.49Å; I196-F204 HydrophobicContact CG1-CE2 4.02Å; I196-F204 HydrophobicContact CG1-CZ 4.22Å; I196-F204 HydrophobicContact CG2-CD2 4.35Å; I196-F204 HydrophobicContact CG2-CE2 3.84Å; L201-F204 WeakPolarHBondContact O-CB 3.41Å; L201-F204 PolarHBondContact O-N 3.39Å; K202-F204 PolarHBondContact O-N 3.13Å; F204-Y227 HydrophobicContact CE1-CD2 4.33Å; F204-A231 HydrophobicContact CZ-CB 4.42Å; F204-A231 WeakPolarHBondContact CZ-O 3.36Å; F204-F232 HydrophobicContact CE2-CB 3.97Å; F204-F232 AromaticContact CE2-CD2 3.72Å; F204-F232 HydrophobicContact CE2-CD2 3.72Å; F204-F232 HydrophobicContact CE2-CG 4.21Å; F204-F232 HydrophobicContact CZ-CB 4.15Å; F204-F232 AromaticContact CZ-CD2 3.81Å; F204-F232 HydrophobicContact CZ-CD2 3.81Å; F204-F232 HydrophobicContact CZ-CG 4.46Å; F204-I240 HydrophobicContact CD1-CD1 4.31Å; F204-I240 HydrophobicContact CD1-CG1 4.28Å; F204-I240 HydrophobicContact CE1-CD1 3.89Å; F204-I240 HydrophobicContact CE1-CG1 3.77Å
205	E	78	Confident	73.4	Confident	60 Å²	60	35.1 Å²	35.1	28%	0.28	20%	0.202	S	C	.	.			trans	-65.6	157.7	177.4	-74.5	176.4	-177.4	0	0	111.8	P56 K202 Y207	P56-E205 HydrophobicContact CB-CB 4.39Å; P56-E205 HydrophobicContact CB-CG 4.43Å; P56-E205 WeakPolarHBondContact CB-OE2 3.49Å; K202-E205 PolarHBondContact O-N 2.94Å; E205-Y207 HydrophobicContact CB-CE1 4.11Å
206	K	74.7	Confident	72.3	Confident	30 Å²	30	44.5 Å²	44.5	13%	0.13	24%	0.237	C	C	.	.			trans	-100.8	140.2	171.8	-64.3	175.5	-68.3	-172.6	0	107.8	I57 D59 R185 D186	I57-K206 PolarHBondContact N-O 3.43Å; D59-K206 IonicContact OD1-NZ 2.69Å; R185-K206 HydrophobicContact CG-CD 4.02Å; R185-K206 HydrophobicContact CG-CG 4.07Å; D186-K206 WeakPolarHBondContact OD2-CE 3.35Å; D186-K206 IonicContact OD2-NZ 3.81Å; D186-K206 PolarHBondContact OD2-NZ 2.81Å
207	Y	66	Low	71.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-107	149.2	177.7	-50.9	-59.8	0	0	0	112.2	F42 E43 W51 V54 T183 E205 L212	F42-Y207 HydrophobicContact CE1-CD2 4.37Å; F42-Y207 HydrophobicContact CE1-CE1 4.49Å; F42-Y207 AromaticContact CE1-CE2 3.55Å; F42-Y207 HydrophobicContact CE1-CE2 3.55Å; F42-Y207 AromaticContact CE1-CZ 3.63Å; F42-Y207 AromaticContact CE2-CE1 3.74Å; F42-Y207 HydrophobicContact CE2-CE1 3.74Å; F42-Y207 HydrophobicContact CE2-CE2 4.26Å; F42-Y207 AromaticContact CE2-CZ 3.51Å; F42-Y207 WeakPolarHBondContact CE2-OH 3.22Å; F42-Y207 HydrophobicContact CZ-CD1 4.15Å; F42-Y207 HydrophobicContact CZ-CD2 4Å; F42-Y207 AromaticContact CZ-CE1 3.43Å; F42-Y207 HydrophobicContact CZ-CE1 3.43Å; F42-Y207 VanDerWaalsContact CZ-CE1 3.43Å; F42-Y207 AromaticContact CZ-CE2 3.25Å; F42-Y207 HydrophobicContact CZ-CE2 3.25Å; F42-Y207 HydrophobicContact CZ-CG 4.39Å; F42-Y207 AromaticContact CZ-CZ 2.94Å; F42-Y207 WeakPolarHBondContact CZ-OH 3.22Å; E43-Y207 HydrophobicContact CG-CE2 4.33Å; E43-Y207 WeakPolarHBondContact OE1-CE2 3.46Å; E43-Y207 PolarHBondContact OE1-OH 2.96Å; W51-Y207 HydrophobicContact CZ3-CE1 4.39Å; W51-Y207 WeakPolarHBondContact CZ3-OH 3.03Å; V54-Y207 HydrophobicContact CB-CD1 4.5Å; V54-Y207 HydrophobicContact CG1-CD1 3.2Å; V54-Y207 HydrophobicContact CG1-CE1 3.79Å; V54-Y207 HydrophobicContact CG1-CG 3.76Å; T183-Y207 WeakPolarHBondContact CG2-O 3.13Å; E205-Y207 HydrophobicContact CB-CE1 4.11Å; Y207-L212 HydrophobicContact CD2-CD1 4.21Å
208	S	58.4	Low	71.6	Confident	28 Å²	28	47 Å²	47	20%	0.196	26%	0.255	C	S	.	.			trans	-67.9	161.7	-176.5	75.3	0	0	0	0	113.2	N210 V211 L212	S208-N210 PolarHBondContact O-N 2.85Å; S208-V211 PolarHBondContact O-N 3.28Å; S208-L212 PolarHBondContact O-N 2.92Å
209	N	56.6	Low	71.7	Confident	34 Å²	34	43 Å²	43	18%	0.182	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.6	177.2	-58.8	4.9	0	0	0	113.1	H70 N74 V211 L212	H70-N209 PolarHBondContact CD2-OD1 2.8Å; H70-N209 WeakPolarHBondContact NE2-CB 2.96Å; H70-N209 PolarHBondContact NE2-ND2 3.06Å; H70-N209 PolarHBondContact NE2-OD1 2.84Å; N74-N209 PolarHBondContact ND2-O 3.27Å; N209-V211 VanDerWaalsContact C-N 3.28Å; N209-L212 VanDerWaalsContact O-O 3.06Å
210	N	53.3	Low	72.2	Confident	108 Å²	108	41.2 Å²	41.2	58%	0.578	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.7	175.6	-61.5	-12.3	0	0	0	111.5	T77 S208	T77-N210 WeakPolarHBondContact CB-O 3.22Å; T77-N210 WeakPolarHBondContact CG2-O 3.2Å; T77-N210 PolarHBondContact OG1-O 3.03Å; S208-N210 PolarHBondContact O-N 2.85Å
211	V	53	Low	72.5	Confident	10 Å²	10	41.9 Å²	41.9	6%	0.061	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-36.7	-177.9	178.9	0	0	0	0	111.8	V54 N74 F78 F177 S208 N209	V54-V211 HydrophobicContact CG1-CG2 4.18Å; N74-V211 PolarHBondContact N-O 2.93Å; F78-V211 HydrophobicContact CE2-CG1 4.31Å; F177-V211 HydrophobicContact CE2-CG1 4.21Å; F177-V211 HydrophobicContact CZ-CG1 4.02Å; S208-V211 PolarHBondContact O-N 3.28Å; N209-V211 VanDerWaalsContact C-N 3.28Å
212	L	57.4	Low	72.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	154.5	-171.3	-58.9	176.9	0	0	0	110.9	H70 A72 F177 Y207 S208 N209	H70-L212 VanDerWaalsContact CB-C 3.41Å; H70-L212 HydrophobicContact CB-CB 3.08Å; H70-L212 HydrophobicContact CB-CD1 4.28Å; H70-L212 HydrophobicContact CB-CG 4.3Å; H70-L212 PolarHBondContact CE1-O 3.23Å; H70-L212 VanDerWaalsContact CG-O 3.25Å; H70-L212 VanDerWaalsContact ND1-C 3.26Å; H70-L212 PolarHBondContact ND1-O 3.11Å; A72-L212 CarbonylContact O-C 3.51Å; A72-L212 VanDerWaalsContact O-C 3.23Å; A72-L212 WeakPolarHBondContact O-CA 3.36Å; F177-L212 HydrophobicContact CB-CD2 3.73Å; F177-L212 HydrophobicContact CD1-CD2 4.34Å; F177-L212 HydrophobicContact CD2-CD2 3.03Å; F177-L212 HydrophobicContact CE2-CD2 3.57Å; F177-L212 HydrophobicContact CG-CD2 3.46Å; F177-L212 VanDerWaalsContact CG-CD2 3.46Å; F177-L212 HydrophobicContact CZ-CD2 4.43Å; Y207-L212 HydrophobicContact CD2-CD1 4.21Å; S208-L212 PolarHBondContact O-N 2.92Å; N209-L212 VanDerWaalsContact O-O 3.06Å
213	D	58.9	Low	73.8	Confident	51 Å²	51	36.4 Å²	36.4	27%	0.273	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.3	164.6	-171.4	-6.4	0	0	0	110.7	H70 T71 A72 L215	H70-D213 WeakPolarHBondContact ND1-CA 3.38Å; T71-D213 PolarHBondContact N-O 3.15Å; A72-D213 WeakPolarHBondContact CB-O 3.01Å; A72-D213 PolarHBondContact N-O 3.44Å; A72-D213 PolarHBondContact O-N 3.31Å; D213-L215 VanDerWaalsContact C-N 3.3Å; D213-L215 HydrophobicContact CB-CD2 4.41Å; D213-L215 PolarHBondContact OD1-N 3.25Å
214	T	56.4	Low	74.4	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.012	19%	0.185	C	C	.	.			trans	-74.9	-27.5	-179.1	-20.9	0	0	0	0	112.5	H69 H70 R216 M217	H69-T214 WeakPolarHBondContact CA-OG1 3.22Å; H69-T214 HydrophobicContact CB-CG2 3.38Å; H69-T214 PolarHBondContact N-OG1 3.08Å; H70-T214 VanDerWaalsContact CA-N 3.3Å; H70-T214 PolarHBondContact N-OG1 3.37Å; T214-R216 PolarHBondContact O-N 2.84Å; T214-M217 PolarHBondContact O-N 2.98Å; T214-M217 VanDerWaalsContact O-N 3.08Å
215	L	64.3	Low	75	Confident	10 Å²	10	36.3 Å²	36.3	5%	0.052	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	23.4	-163.4	-50.3	173.6	0	0	0	112.1	A72 F176 D213 M217 K262 K265 L266	A72-L215 HydrophobicContact CB-CD1 3.93Å; A72-L215 HydrophobicContact CB-CG 4.15Å; F176-L215 HydrophobicContact CE1-CD1 4.19Å; F176-L215 HydrophobicContact CZ-CD1 4.33Å; D213-L215 VanDerWaalsContact C-N 3.3Å; D213-L215 HydrophobicContact CB-CD2 4.41Å; D213-L215 PolarHBondContact OD1-N 3.25Å; L215-M217 HydrophobicContact CB-CG 4.19Å; L215-M217 PolarHBondContact O-N 2.88Å; L215-K262 HydrophobicContact CD1-CB 4.09Å; L215-K262 HydrophobicContact CD1-CG 4.46Å; L215-K262 WeakPolarHBondContact CD1-O 3.37Å; L215-K265 HydrophobicContact CB-CD 3.91Å; L215-K265 HydrophobicContact CB-CG 4.26Å; L215-K265 HydrophobicContact CD2-CG 4.45Å; L215-K265 WeakPolarHBondContact O-CD 3.47Å; L215-K265 VanDerWaalsContact O-CE 3.25Å; L215-K265 WeakPolarHBondContact O-CE 3.29Å; L215-K265 PolarHBondContact O-NZ 2.91Å; L215-L266 HydrophobicContact CD1-CB 3.89Å; L215-L266 HydrophobicContact CD1-CD1 4.49Å; L215-L266 HydrophobicContact CD2-CD1 4.15Å
216	R	71.3	Confident	75.9	Confident	206 Å²	206	33.4 Å²	33.4	78%	0.777	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	36.3	-171.9	-54.4	-177.2	-169.4	177.5	1.8	114	T214	T214-R216 PolarHBondContact O-N 2.84Å
217	M	78.7	Confident	76.8	Confident	42 Å²	42	32.6 Å²	32.6	21%	0.207	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-95.7	146.6	178.8	-65.4	-63.3	-178.7	0	0	111.4	R182 T214 L215 V258 A261 K262 K265	R182-M217 PolarHBondContact NH1-O 3.2Å; R182-M217 PolarHBondContact NH2-O 3.19Å; T214-M217 PolarHBondContact O-N 2.98Å; T214-M217 VanDerWaalsContact O-N 3.08Å; L215-M217 HydrophobicContact CB-CG 4.19Å; L215-M217 PolarHBondContact O-N 2.88Å; M217-V258 HydrophobicContact CB-CG1 4.09Å; M217-A261 HydrophobicContact CE-CB 3.91Å; M217-A261 HydrophobicContact SD-CB 4.35Å; M217-K262 HydrophobicContact CB-CD 4.5Å; M217-K262 HydrophobicContact CB-CG 3.91Å; M217-K262 HydrophobicContact CG-CG 3.7Å; M217-K265 HydrophobicContact CE-CB 4.29Å; M217-K265 HydrophobicContact CE-CD 3.81Å
218	P	85.3	Confident	78.1	Confident	84 Å²	84	36.7 Å²	36.7	55%	0.545	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-63.2	158.1	178.1	29.1	-36	0	0	0	111.3	D220 V258	P218-D220 PolarHBondContact O-N 3.12Å; P218-V258 HydrophobicContact CG-CG1 4.39Å; P218-V258 HydrophobicContact CG-CG2 4.38Å
219	Y	89.1	Confident	79.9	Confident	15 Å²	15	41.2 Å²	41.2	6%	0.059	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-62.6	128.8	168.9	-168.8	-78.8	0	0	0	109.6	E179 R182 R185 F188 V189 Y221 H226	E179-Y219 HydrophobicContact CG-CE1 4.23Å; E179-Y219 HydrophobicContact CG-CE2 4.27Å; E179-Y219 WeakPolarHBondContact O-CE2 3.13Å; R182-Y219 HydrophobicContact CB-CE2 4.49Å; R182-Y219 VanDerWaalsContact CD-CD2 3.49Å; R185-Y219 HydrophobicContact CB-CE2 3.85Å; F188-Y219 HydrophobicContact CB-CD1 3.67Å; F188-Y219 HydrophobicContact CB-CD2 3.92Å; F188-Y219 HydrophobicContact CB-CE1 3.89Å; F188-Y219 HydrophobicContact CB-CE2 4.12Å; F188-Y219 HydrophobicContact CB-CG 3.72Å; F188-Y219 HydrophobicContact CD1-CD1 4.23Å; F188-Y219 AromaticContact CD1-CG 3.98Å; F188-Y219 HydrophobicContact CD1-CG 3.98Å; F188-Y219 HydrophobicContact CD2-CD1 4.35Å; F188-Y219 AromaticContact CD2-CD2 3.47Å; F188-Y219 HydrophobicContact CD2-CD2 3.47Å; F188-Y219 VanDerWaalsContact CD2-CD2 3.47Å; F188-Y219 HydrophobicContact CD2-CE2 4.29Å; F188-Y219 AromaticContact CD2-CG 3.52Å; F188-Y219 HydrophobicContact CD2-CG 3.52Å; F188-Y219 HydrophobicContact CE2-CD2 4.16Å; F188-Y219 HydrophobicContact CE2-CG 4.11Å; F188-Y219 AromaticContact CG-CD1 3.83Å; F188-Y219 HydrophobicContact CG-CD1 3.83Å; F188-Y219 AromaticContact CG-CD2 3.79Å; F188-Y219 HydrophobicContact CG-CD2 3.79Å; F188-Y219 HydrophobicContact CG-CE2 4.47Å; F188-Y219 AromaticContact CG-CG 3.45Å; F188-Y219 HydrophobicContact CG-CG 3.45Å; F188-Y219 VanDerWaalsContact CG-CG 3.45Å; V189-Y219 HydrophobicContact CG1-CE1 4.31Å; Y219-Y221 HydrophobicContact CD1-CD1 4.3Å; Y219-Y221 HydrophobicContact CD1-CD2 4.43Å; Y219-Y221 HydrophobicContact CD1-CE1 4.32Å; Y219-Y221 HydrophobicContact CD1-CE2 4.46Å; Y219-Y221 HydrophobicContact CD1-CG 4.37Å; Y219-Y221 AromaticContact CE1-CD1 3.91Å; Y219-Y221 HydrophobicContact CE1-CD1 3.91Å; Y219-Y221 HydrophobicContact CE1-CE1 4.03Å; Y219-Y221 HydrophobicContact CE1-CG 4.34Å; Y219-H226 AromaticContact CE1-CD2 3.71Å; Y219-H226 AromaticContact CE1-NE2 3.54Å; Y219-H226 AromaticContact CZ-CD2 3.85Å; Y219-H226 AromaticContact CZ-NE2 3.54Å; Y219-H226 PolarHBondContact OH-CD2 3.18Å; Y219-H226 PolarHBondContact OH-NE2 2.93Å
220	D	93.8	Very high	81.6	Confident	22 Å²	22	42.8 Å²	42.8	12%	0.118	21%	0.21	C	C	.	.			trans	-115.4	95.2	-174.9	-178.1	21.1	0	0	0	112.5	E179 P218 G222 S223 S256 V258	E179-D220 PolarHBondContact OE1-N 3.33Å; P218-D220 PolarHBondContact O-N 3.12Å; D220-G222 PolarHBondContact O-N 3.48Å; D220-G222 VanDerWaalsContact O-N 3.13Å; D220-G222 WeakPolarHBondContact OD1-CA 3.34Å; D220-G222 PolarHBondContact OD1-N 3.15Å; D220-S223 VanDerWaalsContact CG-N 3.28Å; D220-S223 VanDerWaalsContact O-CB 3.22Å; D220-S223 WeakPolarHBondContact O-CB 3.43Å; D220-S223 PolarHBondContact O-N 3.1Å; D220-S223 PolarHBondContact OD1-N 3.08Å; D220-S223 VanDerWaalsContact OD2-CA 3.29Å; D220-S223 WeakPolarHBondContact OD2-CA 3.08Å; D220-S223 PolarHBondContact OD2-N 2.82Å; D220-S223 VanDerWaalsContact OD2-N 3.15Å; D220-S256 WeakPolarHBondContact OD2-CB 3.14Å; D220-S256 PolarHBondContact OD2-OG 2.76Å; D220-V258 HydrophobicContact CB-CB 3.93Å; D220-V258 HydrophobicContact CB-CG1 4.09Å; D220-V258 HydrophobicContact CB-CG2 4.2Å
221	Y	94.7	Very high	83.3	Confident	33 Å²	33	37.9 Å²	37.9	13%	0.129	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.4	171.9	-65	-75.8	0	0	0	113	F188 V189 Y219 S223 P242 K244 A247 V248 I249	F188-Y221 VanDerWaalsContact CA-OH 3.3Å; F188-Y221 WeakPolarHBondContact CA-OH 3.39Å; F188-Y221 HydrophobicContact CB-CE1 4.17Å; F188-Y221 WeakPolarHBondContact CB-OH 3.17Å; F188-Y221 HydrophobicContact CD1-CE2 4.39Å; F188-Y221 WeakPolarHBondContact O-CE1 3.25Å; F188-Y221 PolarHBondContact O-OH 3.04Å; V189-Y221 HydrophobicContact CG1-CD1 4.4Å; V189-Y221 HydrophobicContact CG1-CE1 3.89Å; Y219-Y221 HydrophobicContact CD1-CD1 4.3Å; Y219-Y221 HydrophobicContact CD1-CD2 4.43Å; Y219-Y221 HydrophobicContact CD1-CE1 4.32Å; Y219-Y221 HydrophobicContact CD1-CE2 4.46Å; Y219-Y221 HydrophobicContact CD1-CG 4.37Å; Y219-Y221 AromaticContact CE1-CD1 3.91Å; Y219-Y221 HydrophobicContact CE1-CD1 3.91Å; Y219-Y221 HydrophobicContact CE1-CE1 4.03Å; Y219-Y221 HydrophobicContact CE1-CG 4.34Å; Y221-S223 VanDerWaalsContact C-N 3.31Å; Y221-P242 HydrophobicContact CD1-CB 4.11Å; Y221-P242 HydrophobicContact CD1-CG 4.43Å; Y221-P242 HydrophobicContact CE1-CB 3.73Å; Y221-P242 HydrophobicContact CE1-CG 4.46Å; Y221-K244 HydrophobicContact CE2-CB 3.87Å; Y221-K244 HydrophobicContact CE2-CD 4.2Å; Y221-A247 HydrophobicContact CD1-CB 4.04Å; Y221-A247 HydrophobicContact CD2-CB 4.14Å; Y221-A247 HydrophobicContact CE1-CB 4.36Å; Y221-A247 HydrophobicContact CE2-CB 4.43Å; Y221-A247 HydrophobicContact CG-CB 3.91Å; Y221-V248 CarbonylContact C-O 3.58Å; Y221-I249 HydrophobicContact CD1-CG2 3.65Å; Y221-I249 HydrophobicContact CG-CG2 4.29Å; Y221-I249 WeakPolarHBondContact O-CA 3.44Å
222	G	94.5	Very high	85	Confident	26 Å²	26	39.3 Å²	39.3	27%	0.268	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	5.5	-179.3	0	0	0	0	0	114.1	D220 Q251	D220-G222 PolarHBondContact O-N 3.48Å; D220-G222 VanDerWaalsContact O-N 3.13Å; D220-G222 WeakPolarHBondContact OD1-CA 3.34Å; D220-G222 PolarHBondContact OD1-N 3.15Å; G222-Q251 VanDerWaalsContact O-CG 3.32Å; G222-Q251 WeakPolarHBondContact O-CG 3.31Å; G222-Q251 PolarHBondContact O-NE2 3.32Å
223	S	96.7	Very high	86.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.198	C	C	.	.			trans	-60.9	139.9	179.3	177	0	0	0	0	110.5	D220 Y221 M225 H226 D259	D220-S223 VanDerWaalsContact CG-N 3.28Å; D220-S223 VanDerWaalsContact O-CB 3.22Å; D220-S223 WeakPolarHBondContact O-CB 3.43Å; D220-S223 PolarHBondContact O-N 3.1Å; D220-S223 PolarHBondContact OD1-N 3.08Å; D220-S223 VanDerWaalsContact OD2-CA 3.29Å; D220-S223 WeakPolarHBondContact OD2-CA 3.08Å; D220-S223 PolarHBondContact OD2-N 2.82Å; D220-S223 VanDerWaalsContact OD2-N 3.15Å; Y221-S223 VanDerWaalsContact C-N 3.31Å; S223-M225 PolarHBondContact O-N 3.43Å; S223-M225 WeakPolarHBondContact OG-CB 3.48Å; S223-M225 PolarHBondContact OG-N 3.14Å; S223-H226 WeakPolarHBondContact O-CB 3.28Å; S223-H226 PolarHBondContact O-N 3.07Å; S223-H226 VanDerWaalsContact O-N 3.08Å; S223-D259 WeakPolarHBondContact CA-OD2 3.35Å; S223-D259 VanDerWaalsContact CB-OD1 3.31Å; S223-D259 WeakPolarHBondContact CB-OD1 3.45Å; S223-D259 PolarHBondContact OG-OD1 3.46Å
224	V	96.7	Very high	88.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.5	170	82.4	0	0	0	0	111	G164 H168 M171 H226 R252 L255 D259	G164-V224 WeakPolarHBondContact O-CG2 3.38Å; H168-V224 HydrophobicContact CB-CG2 4.1Å; H168-V224 PolarHBondContact ND1-O 3.32Å; M171-V224 HydrophobicContact SD-CG1 3.91Å; V224-H226 VanDerWaalsContact C-N 3.32Å; V224-R252 PolarHBondContact O-NH1 2.76Å; V224-L255 HydrophobicContact CG1-CD2 3.84Å; V224-D259 PolarHBondContact N-OD2 3.18Å
225	M	96.7	Very high	90	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.9	176.4	-52.8	-47.8	-70.7	0	0	113.4	H168 M171 H172 H178 E179 S223	H168-M225 HydrophobicContact CB-SD 4.45Å; H168-M225 PolarHBondContact ND1-SD 3.18Å; H168-M225 VanDerWaalsContact ND1-SD 3.43Å; M171-M225 HydrophobicContact CB-CE 4.26Å; M171-M225 HydrophobicContact CB-CG 4.36Å; M171-M225 HydrophobicContact CB-SD 3.53Å; M171-M225 VanDerWaalsContact CB-SD 3.53Å; M171-M225 HydrophobicContact CE-CG 3.91Å; M171-M225 HydrophobicContact CG-CG 4.15Å; M171-M225 HydrophobicContact CG-SD 3.98Å; M171-M225 HydrophobicContact SD-CG 3.45Å; M171-M225 WeakPolarHBondContact SD-CG 3.36Å; M171-M225 HydrophobicContact SD-SD 3.81Å; H172-M225 WeakPolarHBondContact CE1-CE 3.23Å; H172-M225 VanDerWaalsContact ND1-CE 3.34Å; H172-M225 WeakPolarHBondContact ND1-CE 3.26Å; H172-M225 WeakPolarHBondContact NE2-CE 3.17Å; H178-M225 VanDerWaalsContact CA-O 3.31Å; H178-M225 WeakPolarHBondContact CA-O 3.47Å; H178-M225 PolarHBondContact CD2-O 2.95Å; H178-M225 VanDerWaalsContact CD2-O 3.3Å; E179-M225 PolarHBondContact N-O 3.29Å; S223-M225 PolarHBondContact O-N 3.43Å; S223-M225 WeakPolarHBondContact OG-CB 3.48Å; S223-M225 PolarHBondContact OG-N 3.14Å
226	H	96.9	Very high	91.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-83.9	135.2	174.7	-157.4	-59	0	0	0	110.2	E179 Y219 S223 V224 G250 R252	E179-H226 HydrophobicContact CB-CB 3.97Å; Y219-H226 AromaticContact CE1-CD2 3.71Å; Y219-H226 AromaticContact CE1-NE2 3.54Å; Y219-H226 AromaticContact CZ-CD2 3.85Å; Y219-H226 AromaticContact CZ-NE2 3.54Å; Y219-H226 PolarHBondContact OH-CD2 3.18Å; Y219-H226 PolarHBondContact OH-NE2 2.93Å; S223-H226 WeakPolarHBondContact O-CB 3.28Å; S223-H226 PolarHBondContact O-N 3.07Å; S223-H226 VanDerWaalsContact O-N 3.08Å; V224-H226 VanDerWaalsContact C-N 3.32Å; H226-G250 WeakPolarHBondContact O-CA 3.47Å; H226-R252 PolarHBondContact O-NH1 3.16Å; H226-R252 PolarHBondContact O-NH2 3.25Å
227	Y	94.9	Very high	92.4	Very high	12 Å²	12	48.3 Å²	48.3	5%	0.047	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-62.7	152.8	167.7	-85.7	3.7	0	0	0	113	E43 H178 H180 F204 A231 F232 I240 G250	E43-Y227 PolarHBondContact O-OH 3.06Å; H178-Y227 AromaticContact CD2-CD1 3.69Å; H178-Y227 AromaticContact CD2-CE1 3.46Å; H178-Y227 VanDerWaalsContact CD2-CE1 3.46Å; H178-Y227 WeakPolarHBondContact CD2-CE1 3.45Å; H178-Y227 AromaticContact CE1-CE1 3.58Å; H178-Y227 AromaticContact CG-CE1 3.89Å; H178-Y227 AromaticContact ND1-CE1 3.96Å; H178-Y227 AromaticContact NE2-CD1 3.88Å; H178-Y227 AromaticContact NE2-CE1 3.23Å; H178-Y227 WeakPolarHBondContact NE2-CE1 3.43Å; H180-Y227 AromaticContact CE1-CD1 3.66Å; H180-Y227 AromaticContact CE1-CD2 3.12Å; H180-Y227 WeakPolarHBondContact CE1-CD2 3.47Å; H180-Y227 AromaticContact CE1-CE1 3.8Å; H180-Y227 AromaticContact CE1-CE2 3.21Å; H180-Y227 WeakPolarHBondContact CE1-CE2 3.45Å; H180-Y227 AromaticContact CE1-CG 3.33Å; H180-Y227 AromaticContact CE1-CZ 3.56Å; H180-Y227 AromaticContact ND1-CD1 3.9Å; H180-Y227 AromaticContact ND1-CD2 3.56Å; H180-Y227 AromaticContact ND1-CG 3.42Å; H180-Y227 AromaticContact NE2-CD2 3.55Å; H180-Y227 AromaticContact NE2-CE2 3.49Å; H180-Y227 WeakPolarHBondContact NE2-CE2 3.48Å; F204-Y227 HydrophobicContact CE1-CD2 4.33Å; Y227-A231 HydrophobicContact CD2-CB 3.65Å; Y227-A231 HydrophobicContact CE2-CB 4.29Å; Y227-A231 HydrophobicContact CG-CB 4.02Å; Y227-F232 HydrophobicContact CE2-CD2 4.18Å; Y227-F232 AromaticContact CE2-CE2 3.64Å; Y227-F232 HydrophobicContact CE2-CE2 3.64Å; Y227-F232 AromaticContact CZ-CE2 3.9Å; Y227-I240 HydrophobicContact CD2-CD1 4.24Å; Y227-I240 HydrophobicContact CG-CD1 4.47Å; Y227-G250 PolarHBondContact O-N 3.1Å
228	H	93.3	Very high	93.2	Very high	86 Å²	86	47.3 Å²	47.3	40%	0.398	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-78.4	158.1	169.9	75.6	-70.8	0	0	0	111.3	L230 A231	H228-L230 PolarHBondContact CD2-N 2.9Å; H228-L230 VanDerWaalsContact NE2-C 3.32Å; H228-L230 PolarHBondContact O-N 3.23Å; H228-A231 VanDerWaalsContact CE1-CA 3.42Å; H228-A231 WeakPolarHBondContact CE1-CA 3.31Å; H228-A231 PolarHBondContact CE1-N 2.93Å; H228-A231 PolarHBondContact NE2-N 3.3Å; H228-A231 WeakPolarHBondContact O-CB 3.3Å; H228-A231 PolarHBondContact O-N 3.1Å; H228-A231 VanDerWaalsContact O-N 3.13Å
229	K	94.7	Very high	93.7	Very high	123 Å²	123	43.3 Å²	43.3	54%	0.535	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.8	-173.5	72.7	-173.3	-180	-176.8	0	115.4	A238 T239 I240 I249	K229-A238 HydrophobicContact CB-CB 4.34Å; K229-A238 CarbonylContact O-C 3.55Å; K229-A238 WeakPolarHBondContact O-CA 3.39Å; K229-T239 PolarHBondContact O-N 2.87Å; K229-T239 PolarHBondContact O-OG1 3.27Å; K229-I240 PolarHBondContact O-N 2.92Å; K229-I249 HydrophobicContact CB-CD1 4.21Å; K229-I249 HydrophobicContact CB-CG1 4.41Å
230	L	92.3	Very high	94	Very high	67 Å²	67	42.6 Å²	42.6	35%	0.351	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	9.1	-176.1	-55	-178	0	0	0	113.2	H228 F232 S233 G236	H228-L230 PolarHBondContact CD2-N 2.9Å; H228-L230 VanDerWaalsContact NE2-C 3.32Å; H228-L230 PolarHBondContact O-N 3.23Å; L230-F232 PolarHBondContact O-N 2.85Å; L230-S233 VanDerWaalsContact O-CB 3.22Å; L230-S233 WeakPolarHBondContact O-CB 3.33Å; L230-S233 PolarHBondContact O-N 2.87Å; L230-G236 WeakPolarHBondContact CD2-O 3.3Å
231	A	89.2	Confident	94.2	Very high	5 Å²	5	45.1 Å²	45.1	4%	0.041	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	128.3	-179.4	0	0	0	0	0	110.4	F204 Y227 H228 S233 T239	F204-A231 HydrophobicContact CZ-CB 4.42Å; F204-A231 WeakPolarHBondContact CZ-O 3.36Å; Y227-A231 HydrophobicContact CD2-CB 3.65Å; Y227-A231 HydrophobicContact CE2-CB 4.29Å; Y227-A231 HydrophobicContact CG-CB 4.02Å; H228-A231 VanDerWaalsContact CE1-CA 3.42Å; H228-A231 WeakPolarHBondContact CE1-CA 3.31Å; H228-A231 PolarHBondContact CE1-N 2.93Å; H228-A231 PolarHBondContact NE2-N 3.3Å; H228-A231 WeakPolarHBondContact O-CB 3.3Å; H228-A231 PolarHBondContact O-N 3.1Å; H228-A231 VanDerWaalsContact O-N 3.13Å; A231-S233 PolarHBondContact O-N 3.23Å; A231-S233 VanDerWaalsContact O-N 3.08Å; A231-T239 WeakPolarHBondContact O-CB 3.12Å; A231-T239 VanDerWaalsContact O-CG2 3.27Å; A231-T239 WeakPolarHBondContact O-CG2 3.34Å; A231-T239 PolarHBondContact O-OG1 2.75Å
232	F	90	Very high	94.3	Very high	40 Å²	40	45.2 Å²	45.2	18%	0.175	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	28.8	-178	-52.4	-77.9	0	0	0	115.2	I196 I197 M200 N203 F204 Y227 L230	I196-F232 WeakPolarHBondContact CA-O 3.46Å; I196-F232 HydrophobicContact CG2-CB 4.38Å; I197-F232 WeakPolarHBondContact CG1-O 3.11Å; I197-F232 PolarHBondContact N-O 3.07Å; M200-F232 HydrophobicContact CB-CB 4Å; M200-F232 HydrophobicContact CB-CD1 4.1Å; M200-F232 HydrophobicContact CB-CG 4.15Å; M200-F232 HydrophobicContact CG-CB 4.43Å; M200-F232 HydrophobicContact CG-CD1 3.98Å; M200-F232 HydrophobicContact CG-CG 4.48Å; M200-F232 HydrophobicContact SD-CD1 4.02Å; M200-F232 HydrophobicContact SD-CE1 4.24Å; N203-F232 HydrophobicContact CB-CD2 4.17Å; N203-F232 HydrophobicContact CB-CE2 3.78Å; N203-F232 HydrophobicContact CB-CZ 4.18Å; N203-F232 WeakPolarHBondContact ND2-CE1 3.45Å; N203-F232 VanDerWaalsContact ND2-CZ 3.27Å; N203-F232 WeakPolarHBondContact ND2-CZ 3.27Å; F204-F232 HydrophobicContact CE2-CB 3.97Å; F204-F232 AromaticContact CE2-CD2 3.72Å; F204-F232 HydrophobicContact CE2-CD2 3.72Å; F204-F232 HydrophobicContact CE2-CG 4.21Å; F204-F232 HydrophobicContact CZ-CB 4.15Å; F204-F232 AromaticContact CZ-CD2 3.81Å; F204-F232 HydrophobicContact CZ-CD2 3.81Å; F204-F232 HydrophobicContact CZ-CG 4.46Å; Y227-F232 HydrophobicContact CE2-CD2 4.18Å; Y227-F232 AromaticContact CE2-CE2 3.64Å; Y227-F232 HydrophobicContact CE2-CE2 3.64Å; Y227-F232 AromaticContact CZ-CE2 3.9Å; L230-F232 PolarHBondContact O-N 2.85Å
233	S	91.8	Very high	94.4	Very high	24 Å²	24	47.7 Å²	47.7	17%	0.168	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-70.4	130.8	177.3	-176.1	0	0	0	0	111.7	N195 L230 A231 N235 G236 R237	N195-S233 CarbonylContact O-C 3.23Å; N195-S233 WeakPolarHBondContact O-CA 3.34Å; L230-S233 VanDerWaalsContact O-CB 3.22Å; L230-S233 WeakPolarHBondContact O-CB 3.33Å; L230-S233 PolarHBondContact O-N 2.87Å; A231-S233 PolarHBondContact O-N 3.23Å; A231-S233 VanDerWaalsContact O-N 3.08Å; S233-N235 PolarHBondContact OG-OD1 2.03Å; S233-G236 WeakPolarHBondContact OG-CA 3.34Å; S233-G236 PolarHBondContact OG-N 3.16Å; S233-R237 WeakPolarHBondContact CB-O 3.44Å; S233-R237 PolarHBondContact OG-N 2.72Å; S233-R237 VanDerWaalsContact OG-N 3.16Å; S233-R237 PolarHBondContact OG-O 3.27Å
234	R	91.4	Very high	94.2	Very high	141 Å²	141	54 Å²	54	53%	0.532	27%	0.271	S	S	.	.	S	Bend	trans	-86.1	-17.8	175.9	74.1	180	174.4	165.9	0.9	114.1	H194 N195 I196 I197	H194-R234 PolarHBondContact O-NE 3.42Å; H194-R234 PolarHBondContact O-NH2 3.15Å; N195-R234 WeakPolarHBondContact O-CG 3.45Å; N195-R234 PolarHBondContact O-N 2.99Å; I196-R234 WeakPolarHBondContact O-CD 3.44Å; I197-R234 HydrophobicContact CB-CB 4.44Å; I197-R234 HydrophobicContact CG1-CB 3.78Å
235	N	93.9	Very high	93.8	Very high	69 Å²	69	59.1 Å²	59.1	37%	0.369	31%	0.305	S	S	.	.	S	Bend	trans	-135.5	13.6	-167.6	60.5	10.4	0	0	0	112.9	N195 S233 R237	N195-N235 PolarHBondContact OD1-ND2 2.94Å; N195-N235 PolarHBondContact OD1-OD1 3.13Å; S233-N235 PolarHBondContact OG-OD1 2.03Å; N235-R237 PolarHBondContact O-N 2.84Å; N235-R237 VanDerWaalsContact OD1-CB 3.27Å; N235-R237 WeakPolarHBondContact OD1-CB 3.35Å; N235-R237 PolarHBondContact OD1-N 2.68Å
236	G	91.9	Very high	93.4	Very high	58 Å²	58	69 Å²	69	60%	0.598	35%	0.348	S	S	*	.	S	Bend	trans	70	5.3	-178.3	0	0	0	0	0	114.5	L230 S233	L230-G236 WeakPolarHBondContact CD2-O 3.3Å; S233-G236 WeakPolarHBondContact OG-CA 3.34Å; S233-G236 PolarHBondContact OG-N 3.16Å
237	R	94.3	Very high	93.2	Very high	166 Å²	166	70.2 Å²	70.2	63%	0.626	36%	0.357	S	S	*	.	S	Bend	trans	-92.9	160.1	174.8	-59.1	-179.4	172.5	177.9	-2.7	110.9	S233 N235 T239	S233-R237 WeakPolarHBondContact CB-O 3.44Å; S233-R237 PolarHBondContact OG-N 2.72Å; S233-R237 VanDerWaalsContact OG-N 3.16Å; S233-R237 PolarHBondContact OG-O 3.27Å; N235-R237 PolarHBondContact O-N 2.84Å; N235-R237 VanDerWaalsContact OD1-CB 3.27Å; N235-R237 WeakPolarHBondContact OD1-CB 3.35Å; N235-R237 PolarHBondContact OD1-N 2.68Å; R237-T239 PolarHBondContact O-N 3.02Å
238	A	95.6	Very high	93.1	Very high	21 Å²	21	75 Å²	75	17%	0.174	39%	0.387	C	S	.	.			trans	-63.9	131.2	-177.5	0	0	0	0	0	112.2	N195 K229 L241	N195-A238 PolarHBondContact ND2-O 3.28Å; K229-A238 HydrophobicContact CB-CB 4.34Å; K229-A238 CarbonylContact O-C 3.55Å; K229-A238 WeakPolarHBondContact O-CA 3.39Å; A238-L241 HydrophobicContact CB-CD2 3.56Å; A238-L241 HydrophobicContact CB-CG 4.18Å
239	T	95.3	Very high	93.2	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.373	C	S	.	.	S	Bend	trans	-93.5	-25.4	170.7	51.2	0	0	0	0	111.4	I191 I192 N195 I196 K229 A231 R237	I191-T239 CarbonylContact C-O 3.57Å; I191-T239 WeakPolarHBondContact CA-O 3.21Å; I192-T239 PolarHBondContact N-O 3.44Å; N195-T239 HydrophobicContact CB-CG2 4.02Å; I196-T239 HydrophobicContact CB-CG2 4.49Å; I196-T239 HydrophobicContact CG1-CG2 3.63Å; K229-T239 PolarHBondContact O-N 2.87Å; K229-T239 PolarHBondContact O-OG1 3.27Å; A231-T239 WeakPolarHBondContact O-CB 3.12Å; A231-T239 VanDerWaalsContact O-CG2 3.27Å; A231-T239 WeakPolarHBondContact O-CG2 3.34Å; A231-T239 PolarHBondContact O-OG1 2.75Å; R237-T239 PolarHBondContact O-N 3.02Å
240	I	96.5	Very high	93.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.8	174.8	-49.5	180	0	0	0	109.5	H180 V189 I191 F204 Y227 K229 I249	H180-I240 HydrophobicContact CB-CD1 4.23Å; V189-I240 HydrophobicContact CB-CG2 3.72Å; V189-I240 HydrophobicContact CG1-CG2 3.87Å; V189-I240 HydrophobicContact CG2-CG2 4.15Å; I191-I240 HydrophobicContact CD1-CG1 4Å; I191-I240 HydrophobicContact CD1-CG2 4.33Å; F204-I240 HydrophobicContact CD1-CD1 4.31Å; F204-I240 HydrophobicContact CD1-CG1 4.28Å; F204-I240 HydrophobicContact CE1-CD1 3.89Å; F204-I240 HydrophobicContact CE1-CG1 3.77Å; Y227-I240 HydrophobicContact CD2-CD1 4.24Å; Y227-I240 HydrophobicContact CG-CD1 4.47Å; K229-I240 PolarHBondContact O-N 2.92Å; I240-I249 HydrophobicContact CB-CD1 3.9Å; I240-I249 HydrophobicContact CG2-CD1 3.7Å
241	L	96.4	Very high	93.3	Very high	75 Å²	75	64.3 Å²	64.3	39%	0.393	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.8	175.7	-70	178.7	0	0	0	110.8	V189 R190 I192 A238 V243	V189-L241 CarbonylContact C-O 3.56Å; V189-L241 VanDerWaalsContact CA-O 3.31Å; V189-L241 WeakPolarHBondContact CA-O 3.33Å; R190-L241 HydrophobicContact CB-CB 4.49Å; R190-L241 PolarHBondContact N-O 2.91Å; R190-L241 PolarHBondContact O-N 2.89Å; I192-L241 HydrophobicContact CD1-CD1 3.91Å; I192-L241 HydrophobicContact CD1-CG 4.44Å; I192-L241 HydrophobicContact CG1-CD1 3.92Å; I192-L241 HydrophobicContact CG1-CG 4.09Å; A238-L241 HydrophobicContact CB-CD2 3.56Å; A238-L241 HydrophobicContact CB-CG 4.18Å; L241-V243 PolarHBondContact O-N 2.97Å
242	P	96.9	Very high	93.5	Very high	35 Å²	35	65.9 Å²	65.9	23%	0.227	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	135	171.5	-24.9	35.8	0	0	0	112.4	Y221 A247 I249	Y221-P242 HydrophobicContact CD1-CB 4.11Å; Y221-P242 HydrophobicContact CD1-CG 4.43Å; Y221-P242 HydrophobicContact CE1-CB 3.73Å; Y221-P242 HydrophobicContact CE1-CG 4.46Å; P242-A247 HydrophobicContact CB-CB 3.78Å; P242-A247 HydrophobicContact CG-CB 4.3Å; P242-I249 HydrophobicContact CG-CD1 4.04Å; P242-I249 HydrophobicContact CG-CG1 4.14Å; P242-I249 HydrophobicContact CG-CG2 3.85Å
243	V	96.6	Very high	93.6	Very high	79 Å²	79	67.3 Å²	67.3	48%	0.479	35%	0.351	S	S	.	.	S	Bend	trans	-68.9	-40.5	171	174.9	0	0	0	0	110.2	F188 R190 L241 P245	F188-V243 WeakPolarHBondContact O-CB 3.46Å; F188-V243 WeakPolarHBondContact O-CG2 3.36Å; F188-V243 PolarHBondContact O-N 3.16Å; R190-V243 HydrophobicContact CG-CG2 4.34Å; L241-V243 PolarHBondContact O-N 2.97Å; V243-P245 WeakPolarHBondContact O-CD 3.43Å
244	K	93.6	Very high	93.7	Very high	131 Å²	131	69.4 Å²	69.4	57%	0.57	36%	0.357	S	S	*	.	S	Bend	trans	-67.4	120.8	175.1	-178.3	176.1	179.2	178.3	0	110.1	Y221 K246 A247	Y221-K244 HydrophobicContact CE2-CB 3.87Å; Y221-K244 HydrophobicContact CE2-CD 4.2Å; K244-K246 PolarHBondContact O-N 2.93Å; K244-A247 HydrophobicContact CB-CB 4.01Å; K244-A247 HydrophobicContact CD-CB 4.43Å; K244-A247 HydrophobicContact CG-CB 4.26Å; K244-A247 WeakPolarHBondContact O-CB 3.45Å; K244-A247 PolarHBondContact O-N 3.33Å
245	P	88.5	Confident	93.9	Very high	109 Å²	109	62.7 Å²	62.7	71%	0.708	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	138.2	178.2	-24.9	34.3	0	0	0	111.7	V243 A247	V243-P245 WeakPolarHBondContact O-CD 3.43Å; P245-A247 PolarHBondContact O-N 3.01Å; P245-A247 VanDerWaalsContact O-N 3.1Å
246	K	88.5	Confident	94	Very high	209 Å²	209	60.1 Å²	60.1	91%	0.909	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	9.1	179.1	-50.5	179.4	-179.3	-179.8	0	115.4	K244 V248	K244-K246 PolarHBondContact O-N 2.93Å; K246-V248 PolarHBondContact O-N 2.92Å
247	A	92.9	Very high	94	Very high	25 Å²	25	63.4 Å²	63.4	21%	0.207	33%	0.328	C	S	.	.			trans	-63.4	133.3	170.9	0	0	0	0	0	109.8	Y221 P242 K244 P245	Y221-A247 HydrophobicContact CD1-CB 4.04Å; Y221-A247 HydrophobicContact CD2-CB 4.14Å; Y221-A247 HydrophobicContact CE1-CB 4.36Å; Y221-A247 HydrophobicContact CE2-CB 4.43Å; Y221-A247 HydrophobicContact CG-CB 3.91Å; P242-A247 HydrophobicContact CB-CB 3.78Å; P242-A247 HydrophobicContact CG-CB 4.3Å; K244-A247 HydrophobicContact CB-CB 4.01Å; K244-A247 HydrophobicContact CD-CB 4.43Å; K244-A247 HydrophobicContact CG-CB 4.26Å; K244-A247 WeakPolarHBondContact O-CB 3.45Å; K244-A247 PolarHBondContact O-N 3.33Å; P245-A247 PolarHBondContact O-N 3.01Å; P245-A247 VanDerWaalsContact O-N 3.1Å
248	V	91.3	Very high	93.8	Very high	112 Å²	112	56.9 Å²	56.9	68%	0.679	31%	0.306	S	S	*	.			trans	-101.2	131.4	177.6	-178.8	0	0	0	0	107.9	Y221 K246	Y221-V248 CarbonylContact C-O 3.58Å; K246-V248 PolarHBondContact O-N 2.92Å
249	I	95.6	Very high	93.8	Very high	19 Å²	19	55.9 Å²	55.9	10%	0.097	30%	0.298	C	S	.	.			trans	-125	153.6	-179.8	57.2	168.5	0	0	0	110.8	Y221 K229 I240 P242	Y221-I249 HydrophobicContact CD1-CG2 3.65Å; Y221-I249 HydrophobicContact CG-CG2 4.29Å; Y221-I249 WeakPolarHBondContact O-CA 3.44Å; K229-I249 HydrophobicContact CB-CD1 4.21Å; K229-I249 HydrophobicContact CB-CG1 4.41Å; I240-I249 HydrophobicContact CB-CD1 3.9Å; I240-I249 HydrophobicContact CG2-CD1 3.7Å; P242-I249 HydrophobicContact CG-CD1 4.04Å; P242-I249 HydrophobicContact CG-CG1 4.14Å; P242-I249 HydrophobicContact CG-CG2 3.85Å
250	G	94.2	Very high	93.8	Very high	4 Å²	4	56.8 Å²	56.8	4%	0.041	30%	0.304	C	S	.	.			trans	81.4	22.7	176.4	0	0	0	0	0	115.1	H226 Y227	H226-G250 WeakPolarHBondContact O-CA 3.47Å; Y227-G250 PolarHBondContact O-N 3.1Å
251	Q	95.3	Very high	93.4	Very high	28 Å²	28	58.4 Å²	58.4	13%	0.131	32%	0.317	C	S	.	.			trans	-61.7	144.6	172.4	72.2	81.9	17.8	0	0	110.3	G222 F253 Q254	G222-Q251 VanDerWaalsContact O-CG 3.32Å; G222-Q251 WeakPolarHBondContact O-CG 3.31Å; G222-Q251 PolarHBondContact O-NE2 3.32Å; Q251-F253 HydrophobicContact CB-CD2 3.96Å; Q251-F253 HydrophobicContact CB-CE2 4.16Å; Q251-Q254 PolarHBondContact NE2-O 3.34Å; Q251-Q254 PolarHBondContact OE1-O 3.28Å
252	R	93.7	Very high	93.2	Very high	38 Å²	38	54.9 Å²	54.9	14%	0.143	30%	0.299	C	S	.	.			trans	-133.1	42.3	176.9	-67.8	-65.2	-176.8	-83.4	6.7	110.8	G164 I165 V224 H226	G164-R252 VanDerWaalsContact CA-O 3.29Å; G164-R252 WeakPolarHBondContact CA-O 3.13Å; I165-R252 HydrophobicContact CG1-CB 4.05Å; I165-R252 HydrophobicContact CG1-CG 4.11Å; V224-R252 PolarHBondContact O-NH1 2.76Å; H226-R252 PolarHBondContact O-NH1 3.16Å; H226-R252 PolarHBondContact O-NH2 3.25Å
253	F	91.8	Very high	93.1	Very high	71 Å²	71	53.2 Å²	53.2	31%	0.311	29%	0.288	S	S	.	.	S	Bend	trans	-98.6	-46.1	-179.5	-56	-55.1	0	0	0	112.4	K163 Q251 F349 Y352 W353	K163-F253 WeakPolarHBondContact CE-O 3.26Å; K163-F253 PolarHBondContact NZ-O 2.74Å; K163-F253 VanDerWaalsContact NZ-O 3.15Å; Q251-F253 HydrophobicContact CB-CD2 3.96Å; Q251-F253 HydrophobicContact CB-CE2 4.16Å; F253-F349 HydrophobicContact CD1-CD2 4.35Å; F253-F349 HydrophobicContact CD1-CE2 4.31Å; F253-F349 HydrophobicContact CD1-CG 4.49Å; F253-F349 HydrophobicContact CD1-CZ 4.38Å; F253-F349 HydrophobicContact CE1-CD1 4.45Å; F253-F349 HydrophobicContact CE1-CG 4.4Å; F253-Y352 HydrophobicContact CE1-CE1 4.4Å; F253-Y352 HydrophobicContact CZ-CE1 4.29Å; F253-W353 HydrophobicContact CD1-CZ2 4.22Å; F253-W353 AromaticContact CE1-CE2 3.63Å; F253-W353 AromaticContact CE1-CZ2 3.79Å; F253-W353 HydrophobicContact CE1-CZ2 3.79Å; F253-W353 AromaticContact CE1-NE1 2.96Å; F253-W353 AromaticContact CZ-CD1 3.97Å; F253-W353 HydrophobicContact CZ-CZ2 4.47Å; F253-W353 AromaticContact CZ-NE1 3.11Å
254	Q	92.9	Very high	92.9	Very high	67 Å²	67	50 Å²	50	31%	0.313	27%	0.268	S	S	.	.	S	Bend	trans	-164.6	164.8	-170.8	65.7	178.5	16.9	0	0	111.6	E110 Q251 S256	E110-Q254 VanDerWaalsContact OE1-CB 3.27Å; E110-Q254 WeakPolarHBondContact OE1-CB 3.41Å; Q251-Q254 PolarHBondContact NE2-O 3.34Å; Q251-Q254 PolarHBondContact OE1-O 3.28Å; Q254-S256 PolarHBondContact O-N 3.38Å
255	L	95.9	Very high	92.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.			trans	-61.2	131.9	165.8	-63	175.3	0	0	0	109.5	E110 Y111 K114 A167 M171 V224 D259 I263	E110-L255 HydrophobicContact CG-CD1 4.25Å; E110-L255 HydrophobicContact CG-CG 4.44Å; E110-L255 WeakPolarHBondContact OE1-CB 3.24Å; E110-L255 PolarHBondContact OE1-N 2.91Å; Y111-L255 HydrophobicContact CD1-CD1 3.89Å; Y111-L255 HydrophobicContact CD2-CD1 4.4Å; Y111-L255 HydrophobicContact CE1-CD1 3.7Å; Y111-L255 HydrophobicContact CE1-CD2 4.34Å; Y111-L255 HydrophobicContact CE2-CD1 4.24Å; Y111-L255 HydrophobicContact CG-CD1 4.22Å; K114-L255 HydrophobicContact CD-CB 4.38Å; K114-L255 PolarHBondContact NZ-O 3.31Å; A167-L255 HydrophobicContact CB-CD2 4.35Å; M171-L255 HydrophobicContact SD-CD2 3.99Å; V224-L255 HydrophobicContact CG1-CD2 3.84Å; L255-D259 HydrophobicContact CB-CB 4.25Å; L255-D259 HydrophobicContact CD2-CB 4.22Å; L255-I263 HydrophobicContact CD1-CD1 4.23Å; L255-I263 HydrophobicContact CD2-CD1 4.48Å
256	S	95.8	Very high	92.8	Very high	16 Å²	16	43.9 Å²	43.9	11%	0.112	23%	0.231	C	C	.	.			trans	-68.8	169.3	171.1	92.6	0	0	0	0	110.9	D220 Q254 V258 D259 T260	D220-S256 WeakPolarHBondContact OD2-CB 3.14Å; D220-S256 PolarHBondContact OD2-OG 2.76Å; Q254-S256 PolarHBondContact O-N 3.38Å; S256-V258 PolarHBondContact O-N 3.44Å; S256-V258 PolarHBondContact OG-N 3.08Å; S256-D259 WeakPolarHBondContact CB-OD2 3.04Å; S256-D259 PolarHBondContact N-OD2 3.42Å; S256-D259 PolarHBondContact O-N 3.2Å; S256-D259 VanDerWaalsContact OG-CG 3.27Å; S256-D259 PolarHBondContact OG-N 3.36Å; S256-D259 PolarHBondContact OG-OD2 3.22Å; S256-T260 WeakPolarHBondContact O-CB 3.47Å; S256-T260 PolarHBondContact O-N 3.49Å; S256-T260 VanDerWaalsContact O-N 3.11Å; S256-T260 PolarHBondContact O-OG1 3.28Å
257	V	92.3	Very high	93	Very high	127 Å²	127	35.4 Å²	35.4	77%	0.77	19%	0.193	S	C	*	.	H	α-helix	trans	-62.8	-36.8	171.8	176.5	0	0	0	0	110.7	A261	V257-A261 WeakPolarHBondContact O-CB 3.3Å; V257-A261 PolarHBondContact O-N 2.8Å
258	V	90.8	Very high	92.9	Very high	28 Å²	28	35.1 Å²	35.1	17%	0.17	19%	0.193	C	C	.	.	H	α-helix	trans	-75.4	-38.4	-179.5	-174.6	0	0	0	0	110.7	M217 P218 D220 S256 T260 A261 K262	M217-V258 HydrophobicContact CB-CG1 4.09Å; P218-V258 HydrophobicContact CG-CG1 4.39Å; P218-V258 HydrophobicContact CG-CG2 4.38Å; D220-V258 HydrophobicContact CB-CB 3.93Å; D220-V258 HydrophobicContact CB-CG1 4.09Å; D220-V258 HydrophobicContact CB-CG2 4.2Å; S256-V258 PolarHBondContact O-N 3.44Å; S256-V258 PolarHBondContact OG-N 3.08Å; V258-T260 VanDerWaalsContact C-N 3.31Å; V258-T260 PolarHBondContact O-N 3.3Å; V258-A261 PolarHBondContact O-N 2.84Å; V258-K262 HydrophobicContact CG1-CD 4.22Å; V258-K262 HydrophobicContact CG1-CG 4.33Å; V258-K262 WeakPolarHBondContact O-CB 3.42Å; V258-K262 VanDerWaalsContact O-CG 3.28Å; V258-K262 WeakPolarHBondContact O-CG 3.22Å; V258-K262 PolarHBondContact O-N 3.41Å
259	D	96.2	Very high	92.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.2	-50	172.2	-66	-27.5	0	0	0	110.3	M171 S223 V224 L255 S256 A261 K262 I263	M171-D259 HydrophobicContact CE-CB 3.79Å; M171-D259 HydrophobicContact SD-CB 3.93Å; S223-D259 WeakPolarHBondContact CA-OD2 3.35Å; S223-D259 VanDerWaalsContact CB-OD1 3.31Å; S223-D259 WeakPolarHBondContact CB-OD1 3.45Å; S223-D259 PolarHBondContact OG-OD1 3.46Å; V224-D259 PolarHBondContact N-OD2 3.18Å; L255-D259 HydrophobicContact CB-CB 4.25Å; L255-D259 HydrophobicContact CD2-CB 4.22Å; S256-D259 WeakPolarHBondContact CB-OD2 3.04Å; S256-D259 PolarHBondContact N-OD2 3.42Å; S256-D259 PolarHBondContact O-N 3.2Å; S256-D259 VanDerWaalsContact OG-CG 3.27Å; S256-D259 PolarHBondContact OG-N 3.36Å; S256-D259 PolarHBondContact OG-OD2 3.22Å; D259-A261 PolarHBondContact O-N 3.1Å; D259-K262 WeakPolarHBondContact O-CB 3.32Å; D259-K262 PolarHBondContact O-N 3.35Å; D259-I263 WeakPolarHBondContact O-CD1 3.19Å; D259-I263 WeakPolarHBondContact O-CG1 3.42Å; D259-I263 PolarHBondContact O-N 3.5Å
260	T	93.7	Very high	92.1	Very high	20 Å²	20	36.8 Å²	36.8	12%	0.123	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-46.6	177.2	-58.2	0	0	0	0	111.8	K114 T115 S256 V258 I263 N264	K114-T260 HydrophobicContact CB-CG2 3.71Å; K114-T260 WeakPolarHBondContact O-CG2 3.4Å; T115-T260 HydrophobicContact CG2-CG2 4.11Å; S256-T260 WeakPolarHBondContact O-CB 3.47Å; S256-T260 PolarHBondContact O-N 3.49Å; S256-T260 VanDerWaalsContact O-N 3.11Å; S256-T260 PolarHBondContact O-OG1 3.28Å; V258-T260 VanDerWaalsContact C-N 3.31Å; V258-T260 PolarHBondContact O-N 3.3Å; T260-I263 PolarHBondContact O-N 2.92Å; T260-N264 WeakPolarHBondContact O-CB 3.46Å; T260-N264 PolarHBondContact O-N 3Å; T260-N264 PolarHBondContact O-ND2 2.79Å
261	A	89.8	Confident	90.8	Very high	34 Å²	34	46.2 Å²	46.2	28%	0.281	23%	0.228	S	C	.	.	H	α-helix	trans	-65	-38.9	179.1	0	0	0	0	0	112.3	M217 V257 V258 D259 K265	M217-A261 HydrophobicContact CE-CB 3.91Å; M217-A261 HydrophobicContact SD-CB 4.35Å; V257-A261 WeakPolarHBondContact O-CB 3.3Å; V257-A261 PolarHBondContact O-N 2.8Å; V258-A261 PolarHBondContact O-N 2.84Å; D259-A261 PolarHBondContact O-N 3.1Å; A261-K265 VanDerWaalsContact O-CB 3.29Å; A261-K265 WeakPolarHBondContact O-CB 3.27Å; A261-K265 PolarHBondContact O-N 2.99Å
262	K	91.6	Very high	88.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-51.7	174.3	-77.6	171.5	176.9	164.2	0	110.4	F176 E179 L215 M217 V258 D259 N264 K265 L266	F176-K262 HydrophobicContact CE1-CB 3.66Å; F176-K262 HydrophobicContact CE1-CD 4.42Å; F176-K262 HydrophobicContact CE1-CG 4.46Å; F176-K262 HydrophobicContact CZ-CB 3.96Å; E179-K262 IonicContact OE1-NZ 2.71Å; E179-K262 PolarHBondContact OE1-NZ 3.39Å; E179-K262 IonicContact OE2-NZ 2.81Å; E179-K262 PolarHBondContact OE2-NZ 2.85Å; L215-K262 HydrophobicContact CD1-CB 4.09Å; L215-K262 HydrophobicContact CD1-CG 4.46Å; L215-K262 WeakPolarHBondContact CD1-O 3.37Å; M217-K262 HydrophobicContact CB-CD 4.5Å; M217-K262 HydrophobicContact CB-CG 3.91Å; M217-K262 HydrophobicContact CG-CG 3.7Å; V258-K262 HydrophobicContact CG1-CD 4.22Å; V258-K262 HydrophobicContact CG1-CG 4.33Å; V258-K262 WeakPolarHBondContact O-CB 3.42Å; V258-K262 VanDerWaalsContact O-CG 3.28Å; V258-K262 WeakPolarHBondContact O-CG 3.22Å; V258-K262 PolarHBondContact O-N 3.41Å; D259-K262 WeakPolarHBondContact O-CB 3.32Å; D259-K262 PolarHBondContact O-N 3.35Å; K262-N264 PolarHBondContact O-N 3.27Å; K262-K265 PolarHBondContact O-N 2.8Å; K262-L266 WeakPolarHBondContact O-CB 3.29Å; K262-L266 PolarHBondContact O-N 3.39Å
263	I	94.7	Very high	86.6	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-50.4	178.1	-64.6	154.4	0	0	0	110.7	Y111 T115 I117 M171 L174 F176 L255 D259 T260 K265 L266 Y267	Y111-I263 HydrophobicContact CD1-CD1 4.29Å; Y111-I263 HydrophobicContact CE1-CD1 3.63Å; T115-I263 HydrophobicContact CG2-CB 4.01Å; T115-I263 HydrophobicContact CG2-CD1 4.28Å; T115-I263 HydrophobicContact CG2-CG2 3.72Å; I117-I263 HydrophobicContact CD1-CG2 4.21Å; I117-I263 HydrophobicContact CG1-CG2 3.62Å; M171-I263 HydrophobicContact CE-CD1 4.3Å; M171-I263 HydrophobicContact CE-CG1 4.25Å; M171-I263 HydrophobicContact CG-CD1 4.3Å; M171-I263 HydrophobicContact SD-CD1 4.29Å; L174-I263 HydrophobicContact CD1-CD1 4.42Å; L174-I263 HydrophobicContact CD1-CG1 4.38Å; L174-I263 HydrophobicContact CD1-CG2 4.18Å; F176-I263 HydrophobicContact CD2-CG1 4.34Å; F176-I263 HydrophobicContact CE2-CB 4.38Å; F176-I263 HydrophobicContact CE2-CG1 3.62Å; F176-I263 HydrophobicContact CZ-CG1 4.02Å; L255-I263 HydrophobicContact CD1-CD1 4.23Å; L255-I263 HydrophobicContact CD2-CD1 4.48Å; D259-I263 WeakPolarHBondContact O-CD1 3.19Å; D259-I263 WeakPolarHBondContact O-CG1 3.42Å; D259-I263 PolarHBondContact O-N 3.5Å; T260-I263 PolarHBondContact O-N 2.92Å; I263-K265 VanDerWaalsContact C-N 3.25Å; I263-K265 PolarHBondContact O-N 2.86Å; I263-L266 PolarHBondContact O-N 2.93Å; I263-Y267 HydrophobicContact CG2-CD2 4.25Å; I263-Y267 PolarHBondContact O-N 3.32Å
264	N	92.2	Very high	84.4	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.064	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-35.1	-178.2	-76.4	-31.1	0	0	0	113.3	K114 T115 T260 K262 G268 C269 F270	K114-N264 PolarHBondContact O-ND2 3.05Å; T115-N264 WeakPolarHBondContact CA-OD1 3.38Å; T115-N264 WeakPolarHBondContact CB-OD1 3.49Å; T260-N264 WeakPolarHBondContact O-CB 3.46Å; T260-N264 PolarHBondContact O-N 3Å; T260-N264 PolarHBondContact O-ND2 2.79Å; K262-N264 PolarHBondContact O-N 3.27Å; N264-G268 PolarHBondContact O-N 2.66Å; N264-G268 VanDerWaalsContact O-N 3.11Å; N264-C269 HydrophobicContact CB-CB 4.11Å; N264-C269 PolarHBondContact O-N 2.95Å; N264-C269 WeakPolarHBondContact OD1-CB 3.4Å; N264-C269 PolarHBondContact OD1-SG 3.16Å; N264-F270 HydrophobicContact CB-CD2 4.35Å; N264-F270 HydrophobicContact CB-CE2 3.61Å; N264-F270 HydrophobicContact CB-CZ 4.12Å
265	K	88.4	Confident	82.2	Confident	100 Å²	100	55.6 Å²	55.6	44%	0.435	31%	0.312	S	S	.	.	H	α-helix	trans	-72.2	-45.3	175.8	-178.7	161.5	173.7	174.6	0	111.8	L215 M217 A261 K262 I263 Y267 G268	L215-K265 HydrophobicContact CB-CD 3.91Å; L215-K265 HydrophobicContact CB-CG 4.26Å; L215-K265 HydrophobicContact CD2-CG 4.45Å; L215-K265 WeakPolarHBondContact O-CD 3.47Å; L215-K265 VanDerWaalsContact O-CE 3.25Å; L215-K265 WeakPolarHBondContact O-CE 3.29Å; L215-K265 PolarHBondContact O-NZ 2.91Å; M217-K265 HydrophobicContact CE-CB 4.29Å; M217-K265 HydrophobicContact CE-CD 3.81Å; A261-K265 VanDerWaalsContact O-CB 3.29Å; A261-K265 WeakPolarHBondContact O-CB 3.27Å; A261-K265 PolarHBondContact O-N 2.99Å; K262-K265 PolarHBondContact O-N 2.8Å; I263-K265 VanDerWaalsContact C-N 3.25Å; I263-K265 PolarHBondContact O-N 2.86Å; K265-Y267 VanDerWaalsContact C-N 3.34Å; K265-Y267 PolarHBondContact O-N 2.87Å; K265-G268 PolarHBondContact O-N 2.82Å
266	L	90.8	Very high	79.8	Confident	12 Å²	12	58.8 Å²	58.8	6%	0.063	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-44.5	179.6	-173.4	65.3	0	0	0	111.5	A72 L75 L82 F176 L215 K262 I263	A72-L266 HydrophobicContact CB-CD1 4.16Å; A72-L266 HydrophobicContact CB-CD2 4.15Å; L75-L266 HydrophobicContact CD1-CD1 3.89Å; L75-L266 HydrophobicContact CD2-CD1 4.27Å; L75-L266 HydrophobicContact CG-CD1 4.07Å; L82-L266 HydrophobicContact CD2-CD1 4.3Å; L82-L266 HydrophobicContact CD2-CD2 3.84Å; L82-L266 HydrophobicContact CD2-CG 3.85Å; F176-L266 HydrophobicContact CD2-CD2 4.49Å; F176-L266 HydrophobicContact CE1-CD2 4.42Å; F176-L266 HydrophobicContact CE2-CD2 3.64Å; F176-L266 HydrophobicContact CZ-CB 4.14Å; F176-L266 HydrophobicContact CZ-CD2 3.6Å; L215-L266 HydrophobicContact CD1-CB 3.89Å; L215-L266 HydrophobicContact CD1-CD1 4.49Å; L215-L266 HydrophobicContact CD2-CD1 4.15Å; K262-L266 WeakPolarHBondContact O-CB 3.29Å; K262-L266 PolarHBondContact O-N 3.39Å; I263-L266 PolarHBondContact O-N 2.93Å
267	Y	93.1	Very high	77.3	Confident	30 Å²	30	62.5 Å²	62.5	12%	0.118	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	3.3	-178.4	-78.7	-96	0	0	0	114.2	L82 W83 I117 L174 I263 K265 C269	L82-Y267 HydrophobicContact CB-CE1 4.4Å; L82-Y267 HydrophobicContact CD2-CE1 4.45Å; L82-Y267 HydrophobicContact CD2-CE2 4.04Å; W83-Y267 HydrophobicContact CB-CE1 4.16Å; W83-Y267 WeakPolarHBondContact O-CE1 3.37Å; I117-Y267 HydrophobicContact CD1-CD1 3.56Å; I117-Y267 HydrophobicContact CD1-CD2 3.79Å; I117-Y267 HydrophobicContact CD1-CE1 3.77Å; I117-Y267 HydrophobicContact CD1-CE2 4.01Å; I117-Y267 HydrophobicContact CD1-CG 3.54Å; L174-Y267 WeakPolarHBondContact CA-OH 3.41Å; L174-Y267 HydrophobicContact CB-CE2 4.02Å; L174-Y267 HydrophobicContact CD2-CE2 4.1Å; L174-Y267 WeakPolarHBondContact CD2-OH 3.32Å; L174-Y267 WeakPolarHBondContact O-CE2 3.14Å; L174-Y267 PolarHBondContact O-OH 2.71Å; I263-Y267 HydrophobicContact CG2-CD2 4.25Å; I263-Y267 PolarHBondContact O-N 3.32Å; K265-Y267 VanDerWaalsContact C-N 3.34Å; K265-Y267 PolarHBondContact O-N 2.87Å; Y267-C269 VanDerWaalsContact C-N 3.28Å; Y267-C269 PolarHBondContact O-N 2.95Å
268	G	90.1	Very high	74.9	Confident	20 Å²	20	65.2 Å²	65.2	21%	0.206	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	31.5	176.3	0	0	0	0	0	114.4	N264 K265 F270 R271	N264-G268 PolarHBondContact O-N 2.66Å; N264-G268 VanDerWaalsContact O-N 3.11Å; K265-G268 PolarHBondContact O-N 2.82Å; G268-F270 PolarHBondContact O-N 3.46Å; G268-R271 WeakPolarHBondContact O-CB 3Å; G268-R271 PolarHBondContact O-N 3.04Å
269	C	89.7	Confident	72.8	Confident	27 Å²	27	67.7 Å²	67.7	18%	0.182	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.5	-172.9	-61.5	0	0	0	0	114.3	C116 N264 Y267	C116-C269 HydrophobicContact CB-CB 3.56Å; C116-C269 WeakPolarHBondContact CB-SG 3.01Å; C116-C269 PolarHBondContact N-SG 3.08Å; C116-C269 WeakPolarHBondContact SG-CA 3.43Å; C116-C269 WeakPolarHBondContact SG-CB 3.38Å; C116-C269 CovalentContact SG-SG 2.02Å; C116-C269 PolarHBondContact SG-SG 2.85Å; N264-C269 HydrophobicContact CB-CB 4.11Å; N264-C269 PolarHBondContact O-N 2.95Å; N264-C269 WeakPolarHBondContact OD1-CB 3.4Å; N264-C269 PolarHBondContact OD1-SG 3.16Å; Y267-C269 VanDerWaalsContact C-N 3.28Å; Y267-C269 PolarHBondContact O-N 2.95Å
270	F	81.6	Confident	70.2	Confident	138 Å²	138	76.7 Å²	76.7	61%	0.605	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-8.3	178.1	-55.4	-64.4	0	0	0	114.5	N264 G268 N272 A273	N264-F270 HydrophobicContact CB-CD2 4.35Å; N264-F270 HydrophobicContact CB-CE2 3.61Å; N264-F270 HydrophobicContact CB-CZ 4.12Å; G268-F270 PolarHBondContact O-N 3.46Å; F270-N272 PolarHBondContact O-N 3.16Å; F270-A273 PolarHBondContact O-N 2.87Å
271	R	65.6	Low	67.9	Low	202 Å²	202	81.2 Å²	81.2	76%	0.762	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-22.6	-176.1	-64.9	-177.3	111.4	155.9	0.5	113	G268 T274	G268-R271 WeakPolarHBondContact O-CB 3Å; G268-R271 PolarHBondContact O-N 3.04Å; R271-T274 PolarHBondContact O-OG1 3.25Å
272	N	52.4	Low	65.8	Low	133 Å²	133	88.4 Å²	88.4	71%	0.711	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-15.2	176.6	-68.3	-11.5	0	0	0	113.6	F270 T274 A275	F270-N272 PolarHBondContact O-N 3.16Å; N272-T274 VanDerWaalsContact C-N 3.31Å; N272-A275 PolarHBondContact O-N 2.9Å
273	A	48.2	Very low	64	Low	55 Å²	55	94.7 Å²	94.7	46%	0.455	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-71.9	-28.6	176.4	0	0	0	0	0	112.1	F270 T277	F270-A273 PolarHBondContact O-N 2.87Å; A273-T277 PolarHBondContact O-OG1 2.82Å; A273-T277 VanDerWaalsContact O-OG1 3.05Å
274	T	46.1	Very low	62.2	Low	121 Å²	121	101 Å²	101	74%	0.742	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-79.2	-13.9	178.3	45.3	0	0	0	0	114.1	R271 N272	R271-T274 PolarHBondContact O-OG1 3.25Å; N272-T274 VanDerWaalsContact C-N 3.31Å
275	A	47.3	Very low	61	Low	92 Å²	92	109 Å²	109	76%	0.76	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-92.9	-10.4	175.3	0	0	0	0	0	113.5	N272	N272-A275 PolarHBondContact O-N 2.9Å
276	A	46.2	Very low	60.8	Low	67 Å²	67	106.1 Å²	106.1	55%	0.554	58%	0.582	S	S	*	*	S	Bend	trans	-118	8.5	-167.1	0	0	0	0	0	115.6	S279	A276-S279 PolarHBondContact O-OG 3.46Å
277	T	41.8	Very low	60.5	Low	95 Å²	95	107.4 Å²	107.4	58%	0.583	59%	0.594	S	S	*	*			trans	-120.8	66.2	-170.6	45.9	0	0	0	0	113.7	A273	A273-T277 PolarHBondContact O-OG1 2.82Å; A273-T277 VanDerWaalsContact O-OG1 3.05Å
278	N	42.2	Very low	60.2	Low	183 Å²	183	108.4 Å²	108.4	98%	0.979	60%	0.602	S	S	*	*			trans	-90.6	11.7	141.1	-93.6	-28.8	0	0	0	111.5
279	S	46.8	Very low	59.8	Low	80 Å²	80	110.7 Å²	110.7	56%	0.559	61%	0.609	S	S	*	*	S	Bend	trans	-91	115	169.4	48.9	0	0	0	0	109.9	A276	A276-S279 PolarHBondContact O-OG 3.46Å
280	K	42.3	Very low	59	Low	189 Å²	189	110.8 Å²	110.8	82%	0.822	61%	0.606	S	S	*	*			trans	-35	134.4	167.2	-169.8	177.8	-176.1	179.2	0	111	E282	K280-E282 PolarHBondContact O-N 3.46Å
281	P	44.4	Very low	58.7	Low	116 Å²	116	111.6 Å²	111.6	75%	0.753	62%	0.617	S	S	*	*			trans	-57.4	112.8	-178.1	24	-33.7	0	0	0	109.5	V283	P281-V283 PolarHBondContact O-N 3.41Å
282	E	46.5	Very low	59.4	Low	185 Å²	185	106.4 Å²	106.4	86%	0.864	60%	0.601	S	S	*	*			trans	-64.7	121.2	171.4	-163.7	176.4	-173.4	0	0	107.3	K280 M284	K280-E282 PolarHBondContact O-N 3.46Å; E282-M284 PolarHBondContact O-N 3Å
283	V	52.9	Low	60.7	Low	132 Å²	132	100.1 Å²	100.1	80%	0.8	57%	0.567	S	S	*	*			trans	-57.9	103.8	-177.4	177	0	0	0	0	108.4	P281 K285	P281-V283 PolarHBondContact O-N 3.41Å; V283-K285 PolarHBondContact O-N 2.02Å
284	M	57.6	Low	62.5	Low	131 Å²	131	104.6 Å²	104.6	65%	0.645	58%	0.577	S	S	*	*			trans	-61.5	102.5	179.6	-163.1	174.7	84.8	0	0	108.9	E282	E282-M284 PolarHBondContact O-N 3Å
285	K	67.2	Low	64	Low	181 Å²	181	101.8 Å²	101.8	79%	0.787	56%	0.557	S	S	*	*			trans	-47.8	142	-178	-73.2	-178.7	-179.9	175.9	0	110.4	V283 A287 R314	V283-K285 PolarHBondContact O-N 2.02Å; K285-A287 PolarHBondContact O-N 3.33Å; K285-A287 VanDerWaalsContact O-N 3.16Å; K285-R314 PolarHBondContact O-NH2 2.95Å
286	C	83.5	Confident	65.6	Low	40 Å²	40	99.7 Å²	99.7	27%	0.27	53%	0.529	S	S	.	.	S	Bend	trans	-70	113.6	177.3	-162.5	0	0	0	0	109.8	R314 C320	C286-R314 VanDerWaalsContact SG-CB 3.54Å; C286-C320 HydrophobicContact CB-CB 3.61Å; C286-C320 WeakPolarHBondContact CB-SG 3.46Å; C286-C320 WeakPolarHBondContact SG-CA 3.33Å; C286-C320 WeakPolarHBondContact SG-CB 3.49Å; C286-C320 CovalentContact SG-SG 2.02Å; C286-C320 PolarHBondContact SG-SG 2.95Å
287	A	85.3	Confident	67.4	Low	38 Å²	38	97.5 Å²	97.5	31%	0.314	51%	0.511	S	S	.	.			trans	-150.8	163.2	-174.4	0	0	0	0	0	110.3	K285	K285-A287 PolarHBondContact O-N 3.33Å; K285-A287 VanDerWaalsContact O-N 3.16Å
288	D	86.4	Confident	69.4	Low	52 Å²	52	98.7 Å²	98.7	28%	0.278	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-79.1	129.9	164.5	-70.9	-25.3	0	0	0	109.7	C293 H312 C313 R314 F315 A316	D288-C293 HydrophobicContact CB-CB 3.65Å; D288-H312 CarbonylContact C-O 3.6Å; D288-C313 WeakPolarHBondContact OD1-CA 3.33Å; D288-R314 PolarHBondContact OD1-N 3.18Å; D288-F315 HydrophobicContact CB-CB 4.5Å; D288-F315 WeakPolarHBondContact OD1-CA 3.12Å; D288-F315 WeakPolarHBondContact OD1-CB 3.23Å; D288-F315 PolarHBondContact OD1-N 3.42Å; D288-A316 PolarHBondContact OD1-N 2.97Å; D288-A316 VanDerWaalsContact OD2-CB 3.31Å; D288-A316 WeakPolarHBondContact OD2-CB 3.43Å; D288-A316 PolarHBondContact OD2-N 3.14Å; D288-A316 VanDerWaalsContact OD2-N 3.11Å
289	L	81.1	Confident	71.1	Confident	68 Å²	68	92.5 Å²	92.5	36%	0.356	48%	0.481	S	S	.	.	S	Bend	trans	-96.6	8.5	179.3	-53.1	-176.5	0	0	0	111.8	H312	L289-H312 HydrophobicContact CB-CB 4.43Å; L289-H312 WeakPolarHBondContact CB-O 3.49Å; L289-H312 PolarHBondContact N-O 3.28Å
290	H	74	Confident	72.8	Confident	29 Å²	29	90 Å²	90	13%	0.134	47%	0.468	C	S	.	.	S	Bend	trans	-146.1	137.3	179.1	-151.1	-62.9	0	0	0	112.1	H292 C293 W296	H290-H292 AromaticContact CE1-CD2 3.56Å; H290-H292 AromaticContact ND1-CD2 3.78Å; H290-H292 PolarHBondContact ND1-N 2.54Å; H290-H292 PolarHBondContact O-N 3.46Å; H290-C293 VanDerWaalsContact CB-SG 3.57Å; H290-C293 WeakPolarHBondContact O-CB 3.03Å; H290-C293 PolarHBondContact O-N 3.31Å; H290-C293 PolarHBondContact O-SG 2.84Å; H290-W296 HydrophobicContact CB-CH2 4.15Å; H290-W296 HydrophobicContact CB-CZ3 3.67Å; H290-W296 AromaticContact CD2-CH2 3.37Å; H290-W296 WeakPolarHBondContact CD2-CH2 3.47Å; H290-W296 AromaticContact CD2-CZ3 3.76Å; H290-W296 AromaticContact CE1-CH2 3.63Å; H290-W296 AromaticContact CG-CH2 3.43Å; H290-W296 VanDerWaalsContact CG-CH2 3.43Å; H290-W296 AromaticContact CG-CZ3 3.49Å; H290-W296 VanDerWaalsContact CG-CZ3 3.49Å; H290-W296 AromaticContact ND1-CH2 3.58Å; H290-W296 AromaticContact ND1-CZ3 3.94Å; H290-W296 AromaticContact NE2-CH2 3.52Å
291	D	75.7	Confident	74.7	Confident	154 Å²	154	83.5 Å²	83.5	82%	0.824	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.9	-179.7	-55.8	-30.1	0	0	0	114.1
292	H	80	Confident	76.7	Confident	94 Å²	94	80.2 Å²	80.2	44%	0.435	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	5.2	-179.5	-60	-44.9	0	0	0	112.6	H290 K294 L295 W296	H290-H292 AromaticContact CE1-CD2 3.56Å; H290-H292 AromaticContact ND1-CD2 3.78Å; H290-H292 PolarHBondContact ND1-N 2.54Å; H290-H292 PolarHBondContact O-N 3.46Å; H292-K294 PolarHBondContact O-N 3.21Å; H292-L295 HydrophobicContact CB-CB 4.43Å; H292-L295 WeakPolarHBondContact O-CB 2.86Å; H292-L295 PolarHBondContact O-N 3.23Å; H292-W296 HydrophobicContact CB-CD2 4.03Å; H292-W296 HydrophobicContact CB-CE3 4.42Å; H292-W296 HydrophobicContact CB-CH2 4.38Å; H292-W296 HydrophobicContact CB-CZ2 3.95Å; H292-W296 PolarHBondContact O-N 3.2Å
293	C	79.4	Confident	78.5	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-55.4	-41.4	-179.9	-77.6	0	0	0	0	112.2	D288 H290 W296 A297 H312 C313 A316	D288-C293 HydrophobicContact CB-CB 3.65Å; H290-C293 VanDerWaalsContact CB-SG 3.57Å; H290-C293 WeakPolarHBondContact O-CB 3.03Å; H290-C293 PolarHBondContact O-N 3.31Å; H290-C293 PolarHBondContact O-SG 2.84Å; C293-W296 PolarHBondContact O-N 3.15Å; C293-A297 WeakPolarHBondContact O-CB 3.47Å; C293-A297 PolarHBondContact O-N 3.19Å; C293-H312 PolarHBondContact SG-O 3.19Å; C293-C313 WeakPolarHBondContact CA-SG 3.42Å; C293-C313 HydrophobicContact CB-CB 3.46Å; C293-C313 VanDerWaalsContact CB-CB 3.46Å; C293-C313 WeakPolarHBondContact CB-SG 3.5Å; C293-C313 WeakPolarHBondContact SG-CA 3.45Å; C293-C313 WeakPolarHBondContact SG-CB 3.22Å; C293-C313 CovalentContact SG-SG 2.03Å; C293-C313 PolarHBondContact SG-SG 2.86Å; C293-A316 HydrophobicContact CB-CB 3.69Å; C293-A316 VanDerWaalsContact O-CB 3.24Å; C293-A316 WeakPolarHBondContact O-CB 3.08Å
294	K	86.6	Confident	79.3	Confident	149 Å²	149	82.9 Å²	82.9	65%	0.648	41%	0.412	S	S	*	.	H	α-helix	trans	-58.7	-51.9	172.9	-174.2	176.5	179.8	-178.5	0	111.8	H292 W296 A297 D298	H292-K294 PolarHBondContact O-N 3.21Å; K294-W296 VanDerWaalsContact C-N 3.32Å; K294-W296 PolarHBondContact O-N 2.8Å; K294-A297 WeakPolarHBondContact O-CB 3.45Å; K294-A297 PolarHBondContact O-N 3.39Å; K294-D298 PolarHBondContact O-N 3.11Å
295	L	76.1	Confident	80.2	Confident	63 Å²	63	78.7 Å²	78.7	33%	0.33	40%	0.395	S	S	.	.	H	α-helix	trans	-58	-43	178.2	-179.6	66.7	0	0	0	112.3	H292 D298 L299 Y369	H292-L295 HydrophobicContact CB-CB 4.43Å; H292-L295 WeakPolarHBondContact O-CB 2.86Å; H292-L295 PolarHBondContact O-N 3.23Å; L295-D298 PolarHBondContact O-N 3.08Å; L295-L299 HydrophobicContact CG-CD1 4.19Å; L295-L299 WeakPolarHBondContact O-CB 3.05Å; L295-L299 VanDerWaalsContact O-CG 3.29Å; L295-L299 WeakPolarHBondContact O-CG 3.11Å; L295-L299 PolarHBondContact O-N 3.42Å; L295-Y369 HydrophobicContact CD1-CE1 3.89Å; L295-Y369 VanDerWaalsContact CD1-OH 3.3Å; L295-Y369 WeakPolarHBondContact CD1-OH 3.44Å
296	W	81.3	Confident	80.8	Confident	48 Å²	48	74.8 Å²	74.8	18%	0.182	38%	0.38	C	S	.	.	H	α-helix	trans	-69.3	-37.8	178.7	-65.9	-27.5	0	0	0	112	H290 H292 C293 K294 L299 G300 H301 Y308 M309	H290-W296 HydrophobicContact CB-CH2 4.15Å; H290-W296 HydrophobicContact CB-CZ3 3.67Å; H290-W296 AromaticContact CD2-CH2 3.37Å; H290-W296 WeakPolarHBondContact CD2-CH2 3.47Å; H290-W296 AromaticContact CD2-CZ3 3.76Å; H290-W296 AromaticContact CE1-CH2 3.63Å; H290-W296 AromaticContact CG-CH2 3.43Å; H290-W296 VanDerWaalsContact CG-CH2 3.43Å; H290-W296 AromaticContact CG-CZ3 3.49Å; H290-W296 VanDerWaalsContact CG-CZ3 3.49Å; H290-W296 AromaticContact ND1-CH2 3.58Å; H290-W296 AromaticContact ND1-CZ3 3.94Å; H290-W296 AromaticContact NE2-CH2 3.52Å; H292-W296 HydrophobicContact CB-CD2 4.03Å; H292-W296 HydrophobicContact CB-CE3 4.42Å; H292-W296 HydrophobicContact CB-CH2 4.38Å; H292-W296 HydrophobicContact CB-CZ2 3.95Å; H292-W296 PolarHBondContact O-N 3.2Å; C293-W296 PolarHBondContact O-N 3.15Å; K294-W296 VanDerWaalsContact C-N 3.32Å; K294-W296 PolarHBondContact O-N 2.8Å; W296-L299 CarbonylContact O-C 3.36Å; W296-L299 PolarHBondContact O-N 3.13Å; W296-G300 PolarHBondContact O-N 3.4Å; W296-H301 HydrophobicContact CB-CB 3.97Å; W296-H301 WeakPolarHBondContact O-CB 3.26Å; W296-H301 PolarHBondContact O-CD2 3.4Å; W296-H301 VanDerWaalsContact O-CD2 3.23Å; W296-H301 PolarHBondContact O-N 3.35Å; W296-Y308 HydrophobicContact CE3-CE1 4.03Å; W296-Y308 HydrophobicContact CH2-CE1 4.09Å; W296-Y308 AromaticContact CZ3-CE1 3.5Å; W296-Y308 HydrophobicContact CZ3-CE1 3.5Å; W296-Y308 VanDerWaalsContact CZ3-CE1 3.5Å; W296-M309 HydrophobicContact CB-CE 3.63Å; W296-M309 HydrophobicContact CB-SD 3.98Å; W296-M309 HydrophobicContact CE3-SD 4.3Å
297	A	84.8	Confident	80.3	Confident	20 Å²	20	81.9 Å²	81.9	17%	0.165	41%	0.406	C	S	.	.	H	α-helix	trans	-61.7	-45.6	171.8	0	0	0	0	0	111.2	C293 K294 L299 G300 C302 M309 A316	C293-A297 WeakPolarHBondContact O-CB 3.47Å; C293-A297 PolarHBondContact O-N 3.19Å; K294-A297 WeakPolarHBondContact O-CB 3.45Å; K294-A297 PolarHBondContact O-N 3.39Å; A297-L299 PolarHBondContact O-N 1.98Å; A297-G300 PolarHBondContact O-N 3.16Å; A297-C302 VanDerWaalsContact CB-SG 3.56Å; A297-M309 HydrophobicContact CB-CE 4.32Å; A297-A316 HydrophobicContact CB-CB 3.82Å; A297-A316 WeakPolarHBondContact CB-O 3.08Å
298	D	82.9	Confident	79.9	Confident	120 Å²	120	83.5 Å²	83.5	64%	0.642	41%	0.405	S	S	*	.	H	α-helix	trans	-61.4	-33.3	176.3	-63.6	-21.5	0	0	0	112	K294 L295 G300	K294-D298 PolarHBondContact O-N 3.11Å; L295-D298 PolarHBondContact O-N 3.08Å; D298-G300 PolarHBondContact O-N 2.81Å
299	L	78.1	Confident	79.9	Confident	54 Å²	54	81.1 Å²	81.1	28%	0.283	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	0.3	173.9	-77.9	175.5	0	0	0	114.3	L295 W296 A297 Y369	L295-L299 HydrophobicContact CG-CD1 4.19Å; L295-L299 WeakPolarHBondContact O-CB 3.05Å; L295-L299 VanDerWaalsContact O-CG 3.29Å; L295-L299 WeakPolarHBondContact O-CG 3.11Å; L295-L299 PolarHBondContact O-N 3.42Å; W296-L299 CarbonylContact O-C 3.36Å; W296-L299 PolarHBondContact O-N 3.13Å; A297-L299 PolarHBondContact O-N 1.98Å; L299-Y369 HydrophobicContact CD1-CE2 4.33Å; L299-Y369 HydrophobicContact CD2-CE2 3.71Å; L299-Y369 WeakPolarHBondContact CD2-OH 3.45Å; L299-Y369 HydrophobicContact CG-CE2 4.48Å
300	G	82.7	Confident	80.1	Confident	28 Å²	28	83.1 Å²	83.1	29%	0.289	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	11.3	177.7	0	0	0	0	0	115	W296 A297 D298 C302 K303 W304	W296-G300 PolarHBondContact O-N 3.4Å; A297-G300 PolarHBondContact O-N 3.16Å; D298-G300 PolarHBondContact O-N 2.81Å; G300-C302 PolarHBondContact O-N 2.83Å; G300-C302 VanDerWaalsContact O-N 3.13Å; G300-K303 PolarHBondContact O-N 3.01Å; G300-W304 PolarHBondContact O-N 3.12Å
301	H	83.4	Confident	80.3	Confident	52 Å²	52	84.2 Å²	84.2	24%	0.241	41%	0.409	C	S	.	.	H	α-helix	trans	-62.7	-20.6	178.8	-74.2	-93	0	0	0	113.1	W296 K303 W304 S305 M309	W296-H301 HydrophobicContact CB-CB 3.97Å; W296-H301 WeakPolarHBondContact O-CB 3.26Å; W296-H301 PolarHBondContact O-CD2 3.4Å; W296-H301 VanDerWaalsContact O-CD2 3.23Å; W296-H301 PolarHBondContact O-N 3.35Å; H301-K303 PolarHBondContact O-N 2.45Å; H301-K303 VanDerWaalsContact O-N 3.14Å; H301-W304 PolarHBondContact O-N 2.64Å; H301-S305 PolarHBondContact ND1-OG 2.7Å; H301-S305 CarbonylContact O-C 3.54Å; H301-S305 WeakPolarHBondContact O-CA 3.19Å; H301-S305 PolarHBondContact O-N 2.81Å; H301-M309 VanDerWaalsContact C-CG 3.48Å; H301-M309 HydrophobicContact CB-CE 4.1Å; H301-M309 HydrophobicContact CB-CG 3.89Å; H301-M309 HydrophobicContact CB-SD 3.77Å; H301-M309 WeakPolarHBondContact O-CG 3.31Å
302	C	86.2	Confident	80.7	Confident	46 Å²	46	79.6 Å²	79.6	31%	0.311	38%	0.382	S	S	.	.	H	α-helix	trans	-55.5	-30.6	171.9	-57.5	0	0	0	0	112	A297 G300 C317	A297-C302 VanDerWaalsContact CB-SG 3.56Å; G300-C302 PolarHBondContact O-N 2.83Å; G300-C302 VanDerWaalsContact O-N 3.13Å; C302-C317 WeakPolarHBondContact CA-SG 3.06Å; C302-C317 HydrophobicContact CB-CB 3.82Å; C302-C317 WeakPolarHBondContact CB-SG 3.42Å; C302-C317 WeakPolarHBondContact SG-CA 3.25Å; C302-C317 WeakPolarHBondContact SG-CB 3.36Å; C302-C317 CovalentContact SG-SG 2.03Å; C302-C317 PolarHBondContact SG-SG 3.19Å
303	K	83.4	Confident	81	Confident	173 Å²	173	75.1 Å²	75.1	75%	0.752	36%	0.361	S	S	*	.	H	α-helix	trans	-93.1	-41.3	175.1	-168.7	176.4	-178.8	177	0	112.6	G300 H301	G300-K303 PolarHBondContact O-N 3.01Å; H301-K303 PolarHBondContact O-N 2.45Å; H301-K303 VanDerWaalsContact O-N 3.14Å
304	W	69.3	Low	81.6	Confident	201 Å²	201	77.6 Å²	77.6	76%	0.761	37%	0.371	S	S	*	.	H	α-helix	trans	-89.3	-22.9	-170.7	-62.9	3.6	0	0	0	114.3	G300 H301	G300-W304 PolarHBondContact O-N 3.12Å; H301-W304 PolarHBondContact O-N 2.64Å
305	S	76.2	Confident	81.8	Confident	42 Å²	42	77.1 Å²	77.1	29%	0.294	37%	0.369	S	S	.	.	S	Bend	trans	-126.4	40.3	179.9	-53.3	0	0	0	0	110.2	H301 K307 Y308 M309	H301-S305 PolarHBondContact ND1-OG 2.7Å; H301-S305 CarbonylContact O-C 3.54Å; H301-S305 WeakPolarHBondContact O-CA 3.19Å; H301-S305 PolarHBondContact O-N 2.81Å; S305-K307 VanDerWaalsContact C-N 3.31Å; S305-K307 PolarHBondContact O-N 2.87Å; S305-K307 VanDerWaalsContact O-N 3.15Å; S305-Y308 WeakPolarHBondContact O-CA 3.41Å; S305-Y308 WeakPolarHBondContact O-CB 2.99Å; S305-Y308 PolarHBondContact O-N 3.48Å; S305-M309 WeakPolarHBondContact O-CG 3.48Å; S305-M309 PolarHBondContact O-N 2.8Å
306	E	79.7	Confident	82.5	Confident	99 Å²	99	75.5 Å²	75.5	46%	0.463	36%	0.364	S	S	.	.	H	α-helix	trans	-47.3	-48.6	-170	-172.7	-172.9	164	0	0	113	Y308 M309 K310	E306-Y308 VanDerWaalsContact C-N 3.34Å; E306-Y308 PolarHBondContact O-N 3.05Å; E306-M309 PolarHBondContact O-N 3.49Å; E306-K310 HydrophobicContact CG-CD 3.91Å; E306-K310 HydrophobicContact CG-CG 4.34Å; E306-K310 VanDerWaalsContact O-CB 3.24Å; E306-K310 WeakPolarHBondContact O-CB 3.21Å; E306-K310 VanDerWaalsContact O-CG 3.28Å; E306-K310 WeakPolarHBondContact O-CG 3.31Å; E306-K310 PolarHBondContact O-N 3.01Å; E306-K310 WeakPolarHBondContact OE1-CE 3.13Å; E306-K310 IonicContact OE1-NZ 2.59Å; E306-K310 PolarHBondContact OE1-NZ 3.02Å
307	K	74	Confident	83	Confident	190 Å²	190	74.3 Å²	74.3	83%	0.826	36%	0.363	S	S	*	.	H	α-helix	trans	-60.9	-40.8	179.6	-173	178.3	-178.3	178.5	0	112.8	S305 S311	S305-K307 VanDerWaalsContact C-N 3.31Å; S305-K307 PolarHBondContact O-N 2.87Å; S305-K307 VanDerWaalsContact O-N 3.15Å; K307-S311 PolarHBondContact O-N 2.89Å; K307-S311 PolarHBondContact O-OG 2.77Å
308	Y	77.4	Confident	83.2	Confident	72 Å²	72	76.5 Å²	76.5	28%	0.282	39%	0.387	S	S	.	.	H	α-helix	trans	-71.5	-47.4	179.2	-175.1	-86.9	0	0	0	110.5	W296 S305 E306 K310 S311 H312	W296-Y308 HydrophobicContact CE3-CE1 4.03Å; W296-Y308 HydrophobicContact CH2-CE1 4.09Å; W296-Y308 AromaticContact CZ3-CE1 3.5Å; W296-Y308 HydrophobicContact CZ3-CE1 3.5Å; W296-Y308 VanDerWaalsContact CZ3-CE1 3.5Å; S305-Y308 WeakPolarHBondContact O-CA 3.41Å; S305-Y308 WeakPolarHBondContact O-CB 2.99Å; S305-Y308 PolarHBondContact O-N 3.48Å; E306-Y308 VanDerWaalsContact C-N 3.34Å; E306-Y308 PolarHBondContact O-N 3.05Å; Y308-K310 VanDerWaalsContact C-N 3.35Å; Y308-K310 PolarHBondContact O-N 2.88Å; Y308-S311 PolarHBondContact O-N 3.13Å; Y308-S311 VanDerWaalsContact O-N 3.14Å; Y308-S311 PolarHBondContact O-OG 2.02Å; Y308-H312 HydrophobicContact CD1-CB 4.38Å; Y308-H312 HydrophobicContact CE1-CB 3.94Å; Y308-H312 AromaticContact CE2-ND1 3.95Å; Y308-H312 AromaticContact CZ-CG 3.98Å; Y308-H312 PolarHBondContact O-N 3.11Å; Y308-H312 PolarHBondContact O-ND1 2.91Å
309	M	85.6	Confident	83.5	Confident	2 Å²	2	74.4 Å²	74.4	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-65.6	-37.4	-179.4	-61.9	-55.5	-79.4	0	0	112.5	W296 A297 H301 S305 E306 S311 C313 R314 C317	W296-M309 HydrophobicContact CB-CE 3.63Å; W296-M309 HydrophobicContact CB-SD 3.98Å; W296-M309 HydrophobicContact CE3-SD 4.3Å; A297-M309 HydrophobicContact CB-CE 4.32Å; H301-M309 VanDerWaalsContact C-CG 3.48Å; H301-M309 HydrophobicContact CB-CE 4.1Å; H301-M309 HydrophobicContact CB-CG 3.89Å; H301-M309 HydrophobicContact CB-SD 3.77Å; H301-M309 WeakPolarHBondContact O-CG 3.31Å; S305-M309 WeakPolarHBondContact O-CG 3.48Å; S305-M309 PolarHBondContact O-N 2.8Å; E306-M309 PolarHBondContact O-N 3.49Å; M309-S311 PolarHBondContact O-N 3.41Å; M309-C313 HydrophobicContact CB-CB 4.4Å; M309-C313 HydrophobicContact CE-CB 3.45Å; M309-C313 VanDerWaalsContact CE-CB 3.45Å; M309-C313 CarbonylContact O-C 3.16Å; M309-C313 WeakPolarHBondContact O-CA 3.4Å; M309-C313 PolarHBondContact O-N 2.5Å; M309-C313 HydrophobicContact SD-CB 3.81Å; M309-R314 PolarHBondContact O-N 3.43Å; M309-C317 WeakPolarHBondContact CB-SG 3.48Å; M309-C317 WeakPolarHBondContact CE-SG 3.41Å
310	K	84.7	Confident	83.9	Confident	109 Å²	109	73 Å²	73	47%	0.474	37%	0.371	S	S	.	.	H	α-helix	trans	-61.5	-28.2	173.6	-79.7	-179.7	171.3	-179.6	0	114.2	E306 Y308 R314 L319	E306-K310 HydrophobicContact CG-CD 3.91Å; E306-K310 HydrophobicContact CG-CG 4.34Å; E306-K310 VanDerWaalsContact O-CB 3.24Å; E306-K310 WeakPolarHBondContact O-CB 3.21Å; E306-K310 VanDerWaalsContact O-CG 3.28Å; E306-K310 WeakPolarHBondContact O-CG 3.31Å; E306-K310 PolarHBondContact O-N 3.01Å; E306-K310 WeakPolarHBondContact OE1-CE 3.13Å; E306-K310 IonicContact OE1-NZ 2.59Å; E306-K310 PolarHBondContact OE1-NZ 3.02Å; Y308-K310 VanDerWaalsContact C-N 3.35Å; Y308-K310 PolarHBondContact O-N 2.88Å; K310-R314 WeakPolarHBondContact O-CD 3.21Å; K310-R314 WeakPolarHBondContact O-CG 3.12Å; K310-L319 VanDerWaalsContact CA-CD1 3.49Å; K310-L319 HydrophobicContact CB-CD1 4.05Å; K310-L319 HydrophobicContact CG-CD1 3.51Å
311	S	79.9	Confident	83.7	Confident	53 Å²	53	77.3 Å²	77.3	37%	0.371	39%	0.393	S	S	.	.	H	α-helix	trans	-94.8	-35.3	-179.2	44.4	0	0	0	0	113	K307 Y308 M309	K307-S311 PolarHBondContact O-N 2.89Å; K307-S311 PolarHBondContact O-OG 2.77Å; Y308-S311 PolarHBondContact O-N 3.13Å; Y308-S311 VanDerWaalsContact O-N 3.14Å; Y308-S311 PolarHBondContact O-OG 2.02Å; M309-S311 PolarHBondContact O-N 3.41Å
312	H	83.7	Confident	82.5	Confident	56 Å²	56	84.7 Å²	84.7	26%	0.259	43%	0.428	S	S	.	.	H	α-helix	trans	-115.2	-22.7	-169.7	-62.7	78	0	0	0	114.6	D288 L289 C293 Y308	D288-H312 CarbonylContact C-O 3.6Å; L289-H312 HydrophobicContact CB-CB 4.43Å; L289-H312 WeakPolarHBondContact CB-O 3.49Å; L289-H312 PolarHBondContact N-O 3.28Å; C293-H312 PolarHBondContact SG-O 3.19Å; Y308-H312 HydrophobicContact CD1-CB 4.38Å; Y308-H312 HydrophobicContact CE1-CB 3.94Å; Y308-H312 AromaticContact CE2-ND1 3.95Å; Y308-H312 AromaticContact CZ-CG 3.98Å; Y308-H312 PolarHBondContact O-N 3.11Å; Y308-H312 PolarHBondContact O-ND1 2.91Å
313	C	86.5	Confident	80.6	Confident	0 Å²	0	85.8 Å²	85.8	0%	0	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-130.1	45.2	-171.6	-62.5	0	0	0	0	111.1	D288 C293 M309 F315 A316 C317	D288-C313 WeakPolarHBondContact OD1-CA 3.33Å; C293-C313 WeakPolarHBondContact CA-SG 3.42Å; C293-C313 HydrophobicContact CB-CB 3.46Å; C293-C313 VanDerWaalsContact CB-CB 3.46Å; C293-C313 WeakPolarHBondContact CB-SG 3.5Å; C293-C313 WeakPolarHBondContact SG-CA 3.45Å; C293-C313 WeakPolarHBondContact SG-CB 3.22Å; C293-C313 CovalentContact SG-SG 2.03Å; C293-C313 PolarHBondContact SG-SG 2.86Å; M309-C313 HydrophobicContact CB-CB 4.4Å; M309-C313 HydrophobicContact CE-CB 3.45Å; M309-C313 VanDerWaalsContact CE-CB 3.45Å; M309-C313 CarbonylContact O-C 3.16Å; M309-C313 WeakPolarHBondContact O-CA 3.4Å; M309-C313 PolarHBondContact O-N 2.5Å; M309-C313 HydrophobicContact SD-CB 3.81Å; C313-F315 VanDerWaalsContact C-N 3.26Å; C313-F315 PolarHBondContact O-N 3.42Å; C313-A316 HydrophobicContact CB-CB 4.42Å; C313-C317 WeakPolarHBondContact O-CB 3.44Å; C313-C317 PolarHBondContact O-N 3.44Å
314	R	90.8	Very high	78.2	Confident	53 Å²	53	87.4 Å²	87.4	20%	0.2	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-36.3	-174.1	-67.7	-178.1	-67.8	163.7	-0.3	111.6	K285 C286 D288 M309 K310 G318 L319 C320	K285-R314 PolarHBondContact O-NH2 2.95Å; C286-R314 VanDerWaalsContact SG-CB 3.54Å; D288-R314 PolarHBondContact OD1-N 3.18Å; M309-R314 PolarHBondContact O-N 3.43Å; K310-R314 WeakPolarHBondContact O-CD 3.21Å; K310-R314 WeakPolarHBondContact O-CG 3.12Å; R314-G318 PolarHBondContact O-N 3.45Å; R314-L319 HydrophobicContact CB-CB 4.19Å; R314-L319 WeakPolarHBondContact O-CA 3.48Å; R314-L319 WeakPolarHBondContact O-CB 3.36Å; R314-L319 PolarHBondContact O-N 3.49Å; R314-C320 PolarHBondContact O-N 2.98Å
315	F	90.5	Very high	76.8	Confident	139 Å²	139	86.2 Å²	86.2	61%	0.61	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-49.4	-178.7	-172.4	-89.3	0	0	0	110.3	D288 C313 C317 G318 C320	D288-F315 HydrophobicContact CB-CB 4.5Å; D288-F315 WeakPolarHBondContact OD1-CA 3.12Å; D288-F315 WeakPolarHBondContact OD1-CB 3.23Å; D288-F315 PolarHBondContact OD1-N 3.42Å; C313-F315 VanDerWaalsContact C-N 3.26Å; C313-F315 PolarHBondContact O-N 3.42Å; F315-C317 VanDerWaalsContact C-N 3.27Å; F315-C317 PolarHBondContact O-N 3.33Å; F315-G318 PolarHBondContact O-N 3.03Å; F315-C320 VanDerWaalsContact CA-SG 3.58Å
316	A	90.9	Very high	75	Confident	29 Å²	29	88.7 Å²	88.7	24%	0.24	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-32.6	177.1	0	0	0	0	0	113.7	D288 C293 A297 C313	D288-A316 PolarHBondContact OD1-N 2.97Å; D288-A316 VanDerWaalsContact OD2-CB 3.31Å; D288-A316 WeakPolarHBondContact OD2-CB 3.43Å; D288-A316 PolarHBondContact OD2-N 3.14Å; D288-A316 VanDerWaalsContact OD2-N 3.11Å; C293-A316 HydrophobicContact CB-CB 3.69Å; C293-A316 VanDerWaalsContact O-CB 3.24Å; C293-A316 WeakPolarHBondContact O-CB 3.08Å; A297-A316 HydrophobicContact CB-CB 3.82Å; A297-A316 WeakPolarHBondContact CB-O 3.08Å; C313-A316 HydrophobicContact CB-CB 4.42Å
317	C	91.9	Very high	72.7	Confident	23 Å²	23	90.9 Å²	90.9	16%	0.155	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	8.8	176.1	-70.2	0	0	0	0	114.9	C302 M309 C313 F315 L319	C302-C317 WeakPolarHBondContact CA-SG 3.06Å; C302-C317 HydrophobicContact CB-CB 3.82Å; C302-C317 WeakPolarHBondContact CB-SG 3.42Å; C302-C317 WeakPolarHBondContact SG-CA 3.25Å; C302-C317 WeakPolarHBondContact SG-CB 3.36Å; C302-C317 CovalentContact SG-SG 2.03Å; C302-C317 PolarHBondContact SG-SG 3.19Å; M309-C317 WeakPolarHBondContact CB-SG 3.48Å; M309-C317 WeakPolarHBondContact CE-SG 3.41Å; C313-C317 WeakPolarHBondContact O-CB 3.44Å; C313-C317 PolarHBondContact O-N 3.44Å; F315-C317 VanDerWaalsContact C-N 3.27Å; F315-C317 PolarHBondContact O-N 3.33Å; C317-L319 HydrophobicContact CB-CD1 3.81Å; C317-L319 HydrophobicContact CB-CG 3.84Å; C317-L319 PolarHBondContact O-N 3.19Å
318	G	90.1	Very high	71.1	Confident	65 Å²	65	86.6 Å²	86.6	67%	0.67	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	24.6	178.8	0	0	0	0	0	114	R314 F315 C320	R314-G318 PolarHBondContact O-N 3.45Å; F315-G318 PolarHBondContact O-N 3.03Å; G318-C320 VanDerWaalsContact C-N 3.33Å
319	L	89.5	Confident	69	Low	76 Å²	76	92 Å²	92	40%	0.398	53%	0.527	S	S	.	.			trans	-90.9	3.3	-178.6	-56.7	170.8	0	0	0	112.8	K310 R314 C317	K310-L319 VanDerWaalsContact CA-CD1 3.49Å; K310-L319 HydrophobicContact CB-CD1 4.05Å; K310-L319 HydrophobicContact CG-CD1 3.51Å; R314-L319 HydrophobicContact CB-CB 4.19Å; R314-L319 WeakPolarHBondContact O-CA 3.48Å; R314-L319 WeakPolarHBondContact O-CB 3.36Å; R314-L319 PolarHBondContact O-N 3.49Å; C317-L319 HydrophobicContact CB-CD1 3.81Å; C317-L319 HydrophobicContact CB-CG 3.84Å; C317-L319 PolarHBondContact O-N 3.19Å
320	C	86.1	Confident	67	Low	26 Å²	26	98.7 Å²	98.7	18%	0.176	57%	0.567	C	S	.	*	S	Bend	trans	-84.7	133.2	173.1	-64.2	0	0	0	0	111.1	C286 R314 F315 G318 Q322	C286-C320 HydrophobicContact CB-CB 3.61Å; C286-C320 WeakPolarHBondContact CB-SG 3.46Å; C286-C320 WeakPolarHBondContact SG-CA 3.33Å; C286-C320 WeakPolarHBondContact SG-CB 3.49Å; C286-C320 CovalentContact SG-SG 2.02Å; C286-C320 PolarHBondContact SG-SG 2.95Å; R314-C320 PolarHBondContact O-N 2.98Å; F315-C320 VanDerWaalsContact CA-SG 3.58Å; G318-C320 VanDerWaalsContact C-N 3.33Å; C320-Q322 PolarHBondContact O-N 2.9Å
321	P	78.1	Confident	64.9	Low	118 Å²	118	102.8 Å²	102.8	77%	0.766	59%	0.585	S	S	*	*			trans	-60.2	126.2	172.2	-16.4	27.9	0	0	0	109.9	G323	P321-G323 PolarHBondContact O-N 3.32Å
322	Q	57.4	Low	62.6	Low	206 Å²	206	108.4 Å²	108.4	96%	0.963	61%	0.605	S	S	*	*			trans	-69.4	98.9	175.7	-64.3	-172.8	13.4	0	0	109.9	C320	C320-Q322 PolarHBondContact O-N 2.9Å
323	G	46.7	Very low	60.3	Low	70 Å²	70	113.8 Å²	113.8	72%	0.722	64%	0.635	S	S	*	*			trans	-114.5	117.1	170.5	0	0	0	0	0	110.4	P321	P321-G323 PolarHBondContact O-N 3.32Å
324	K	34.1	Very low	57.7	Low	206 Å²	206	123.8 Å²	123.8	90%	0.896	67%	0.673	S	S	*	*			trans	-38.8	127.3	-178.3	-61	172.3	176.8	178.6	0	115.2
325	L	38.7	Very low	54.9	Low	177 Å²	177	130.3 Å²	130.3	93%	0.927	71%	0.706	S	S	*	*			trans	158.4	129.5	143.9	-109.2	84.7	0	0	0	107.6
326	A	37.8	Very low	52.6	Low	93 Å²	93	132 Å²	132	77%	0.769	72%	0.715	S	S	*	*			cis	-147.6	141.9	-7.7	0	0	0	0	0	106.6
327	T	33.4	Very low	49.9	Very low	145 Å²	145	138.8 Å²	138.8	89%	0.89	74%	0.742	S	S	*	*			trans	-78.4	122.4	170.9	43.8	0	0	0	0	110.5
328	S	38.5	Very low	47.3	Very low	100 Å²	100	145.5 Å²	145.5	70%	0.699	78%	0.775	S	S	*	*			trans	-169	123.1	141.6	58.3	0	0	0	0	109.8
329	E	35.1	Very low	44.8	Very low	186 Å²	186	146.7 Å²	146.7	87%	0.869	77%	0.773	S	S	*	*			trans	72	108	163.9	-54	174.1	166.1	0	0	113.4
330	V	43.5	Very low	42.6	Very low	142 Å²	142	150.2 Å²	150.2	86%	0.861	79%	0.788	S	S	*	*				-154.3	139.5	72.1	170.4	0	0	0	0	110.9
331	K	40.1	Very low	40.8	Very low	195 Å²	195	156.1 Å²	156.1	85%	0.848	82%	0.817	S	S	*	*			trans	-41.9	143.5	177	-80.3	167.6	167.1	172.6	0	115.9	L333	K331-L333 PolarHBondContact O-N 3.25Å
332	H	31.4	Very low	40	Very low	171 Å²	171	156.8 Å²	156.8	79%	0.792	81%	0.81	S	S	*	*			trans	-28	121.9	158.5	-83.3	-57.2	0	0	0	115.9
333	L	34.9	Very low	40.9	Very low	170 Å²	170	150.1 Å²	150.1	89%	0.89	79%	0.786	S	S	*	*			trans	-134.4	83.6	147.3	-69.7	168.2	0	0	0	105.1	K331	K331-L333 PolarHBondContact O-N 3.25Å
334	R	33.1	Very low	42.5	Very low	210 Å²	210	151 Å²	151	79%	0.792	77%	0.77	S	S	*	*				36.3	107.2	98.1	-74.3	-170	-171.8	-177.8	2.7	112.7	H336	R334-H336 PolarHBondContact O-N 2.71Å
335	E	31.6	Very low	44.6	Very low	190 Å²	190	143.3 Å²	143.3	89%	0.888	74%	0.738	S	S	*	*			trans	18.9	88.6	145.8	-67.6	165	166	0	0	114.2	E337	E335-E337 PolarHBondContact O-N 3.5Å
336	H	40.7	Very low	46.3	Very low	175 Å²	175	142.5 Å²	142.5	81%	0.81	72%	0.723	S	S	*	*			trans	-85	96.8	161.5	-138.9	-73.4	0	0	0	107.5	R334 L338	R334-H336 PolarHBondContact O-N 2.71Å; H336-L338 PolarHBondContact O-N 3.23Å
337	E	36.2	Very low	47.7	Very low	171 Å²	171	140.4 Å²	140.4	80%	0.799	70%	0.699	S	S	*	*			trans	-40.6	137.6	158.4	-71.1	177.3	131.7	0	0	110	E335 S339	E335-E337 PolarHBondContact O-N 3.5Å; E337-S339 VanDerWaalsContact C-N 3.35Å; E337-S339 PolarHBondContact O-N 3.33Å
338	L	35.7	Very low	48.9	Very low	163 Å²	163	139.5 Å²	139.5	85%	0.853	69%	0.688	S	S	*	*			trans	-54.4	91	179.7	-165.9	80.7	0	0	0	109.6	H336 Q340	H336-L338 PolarHBondContact O-N 3.23Å; L338-Q340 PolarHBondContact O-N 3.42Å
339	S	37.7	Very low	49.6	Very low	91 Å²	91	136.3 Å²	136.3	64%	0.636	66%	0.662	S	S	*	*			trans	-65.9	126.1	177.3	70.3	0	0	0	0	109.1	E337 D341	E337-S339 VanDerWaalsContact C-N 3.35Å; E337-S339 PolarHBondContact O-N 3.33Å; S339-D341 VanDerWaalsContact C-N 3.26Å; S339-D341 PolarHBondContact O-N 3.39Å
340	Q	44.2	Very low	51.2	Low	150 Å²	150	127.5 Å²	127.5	70%	0.701	62%	0.62	S	S	*	*			trans	-88.2	25.1	-160.3	-139.3	173	17.4	0	0	113	L338	L338-Q340 PolarHBondContact O-N 3.42Å
341	D	47.9	Very low	52.2	Low	149 Å²	149	124.3 Å²	124.3	80%	0.797	60%	0.603	S	S	*	*			trans	-140.5	39.5	-151.7	-148.7	18.1	0	0	0	117.9	S339	S339-D341 VanDerWaalsContact C-N 3.26Å; S339-D341 PolarHBondContact O-N 3.39Å
342	E	62.2	Low	52.9	Low	132 Å²	132	118.6 Å²	118.6	62%	0.617	58%	0.576	S	S	*	*			trans	-153.6	101.8	153.1	-132.3	-177.9	160.4	0	0	110.7	K344	E342-K344 VanDerWaalsContact C-N 3.26Å; E342-K344 HydrophobicContact CB-CD 4.29Å; E342-K344 HydrophobicContact CB-CG 4.41Å; E342-K344 HydrophobicContact CG-CD 4.3Å; E342-K344 PolarHBondContact O-N 2.97Å; E342-K344 IonicContact OE1-NZ 2.78Å; E342-K344 VanDerWaalsContact OE2-CE 3.26Å; E342-K344 WeakPolarHBondContact OE2-CE 3.34Å; E342-K344 IonicContact OE2-NZ 3.98Å; E342-K344 PolarHBondContact OE2-NZ 3.07Å
343	C	76.3	Confident	54.7	Low	66 Å²	66	111.8 Å²	111.8	45%	0.446	54%	0.544	S	S	.	.			trans	-63.6	86.4	167.7	164.1	0	0	0	0	109.6	C377	C343-C377 HydrophobicContact CB-CB 3.62Å; C343-C377 WeakPolarHBondContact CB-SG 3.32Å; C343-C377 WeakPolarHBondContact SG-CB 3.27Å; C343-C377 CovalentContact SG-SG 1.98Å; C343-C377 PolarHBondContact SG-SG 3.41Å
344	K	79.9	Confident	56.5	Low	90 Å²	90	104.8 Å²	104.8	39%	0.391	51%	0.51	S	S	.	.			trans	-139.1	150.2	176.3	68.7	-175.8	177.3	-167.6	0	111.8	E342 R346	E342-K344 VanDerWaalsContact C-N 3.26Å; E342-K344 HydrophobicContact CB-CD 4.29Å; E342-K344 HydrophobicContact CB-CG 4.41Å; E342-K344 HydrophobicContact CG-CD 4.3Å; E342-K344 PolarHBondContact O-N 2.97Å; E342-K344 IonicContact OE1-NZ 2.78Å; E342-K344 VanDerWaalsContact OE2-CE 3.26Å; E342-K344 WeakPolarHBondContact OE2-CE 3.34Å; E342-K344 IonicContact OE2-NZ 3.98Å; E342-K344 PolarHBondContact OE2-NZ 3.07Å; K344-R346 PolarHBondContact O-N 2.78Å
345	D	78.5	Confident	58.1	Low	43 Å²	43	101.7 Å²	101.7	23%	0.23	51%	0.507	C	S	.	.	B	Isolated β-bridge	trans	-72.3	122.3	166	-67.1	-36.1	0	0	0	108.7	N347 C350 Y369 C370 R372 S373	D345-N347 VanDerWaalsContact C-N 3.28Å; D345-C350 HydrophobicContact CB-CB 3.55Å; D345-C350 WeakPolarHBondContact OD1-CB 3.28Å; D345-Y369 CarbonylContact C-O 3.48Å; D345-C370 WeakPolarHBondContact OD1-CA 3.33Å; D345-R372 WeakPolarHBondContact OD1-CB 3.45Å; D345-R372 PolarHBondContact OD1-N 2.69Å; D345-S373 VanDerWaalsContact CG-OG 3.22Å; D345-S373 PolarHBondContact OD1-N 3.41Å; D345-S373 PolarHBondContact OD1-OG 3.12Å; D345-S373 WeakPolarHBondContact OD2-CB 3.48Å; D345-S373 PolarHBondContact OD2-N 3.23Å; D345-S373 PolarHBondContact OD2-OG 2.97Å
346	R	73.1	Confident	59.7	Low	160 Å²	160	96.2 Å²	96.2	60%	0.604	48%	0.483	S	S	*	.	S	Bend	trans	-88.9	0.7	175.8	-59.4	-178.5	176.6	-171	-3.3	111.8	K344 Y369	K344-R346 PolarHBondContact O-N 2.78Å; R346-Y369 HydrophobicContact CB-CD1 4.09Å; R346-Y369 PolarHBondContact N-O 3.14Å
347	N	67.2	Low	61.4	Low	50 Å²	50	89.1 Å²	89.1	27%	0.267	46%	0.457	S	S	.	.	S	Bend	trans	-135.8	136.8	175.4	-163.4	-59.3	0	0	0	110.7	D345 F349 C350 W353	D345-N347 VanDerWaalsContact C-N 3.28Å; N347-F349 PolarHBondContact O-N 2.79Å; N347-F349 WeakPolarHBondContact OD1-CB 3.32Å; N347-F349 VanDerWaalsContact OD1-CD2 3.28Å; N347-F349 WeakPolarHBondContact OD1-CD2 3.16Å; N347-F349 PolarHBondContact OD1-N 2.81Å; N347-C350 WeakPolarHBondContact O-CB 3.38Å; N347-C350 PolarHBondContact O-N 3.26Å; N347-C350 VanDerWaalsContact O-N 3.14Å; N347-C350 PolarHBondContact O-SG 3.48Å; N347-W353 HydrophobicContact CB-CH2 4.21Å; N347-W353 HydrophobicContact CB-CZ3 3.68Å; N347-W353 VanDerWaalsContact CG-CH2 3.43Å; N347-W353 VanDerWaalsContact CG-CZ3 3.42Å; N347-W353 WeakPolarHBondContact ND2-CH2 3.25Å
348	L	59.3	Low	63.3	Low	126 Å²	126	83.1 Å²	83.1	66%	0.66	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.8	179.2	-172.6	66.8	0	0	0	112.8	C350 P351	L348-C350 VanDerWaalsContact C-N 3.34Å; L348-P351 WeakPolarHBondContact O-CD 3.46Å
349	F	53.5	Low	65.7	Low	33 Å²	33	76.9 Å²	76.9	15%	0.145	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.5	179.5	-66.4	-70.2	0	0	0	114.4	F253 N347 P351 Y352 W353	F253-F349 HydrophobicContact CD1-CD2 4.35Å; F253-F349 HydrophobicContact CD1-CE2 4.31Å; F253-F349 HydrophobicContact CD1-CG 4.49Å; F253-F349 HydrophobicContact CD1-CZ 4.38Å; F253-F349 HydrophobicContact CE1-CD1 4.45Å; F253-F349 HydrophobicContact CE1-CG 4.4Å; N347-F349 PolarHBondContact O-N 2.79Å; N347-F349 WeakPolarHBondContact OD1-CB 3.32Å; N347-F349 VanDerWaalsContact OD1-CD2 3.28Å; N347-F349 WeakPolarHBondContact OD1-CD2 3.16Å; N347-F349 PolarHBondContact OD1-N 2.81Å; F349-P351 VanDerWaalsContact C-CD 3.46Å; F349-P351 VanDerWaalsContact C-N 3.29Å; F349-Y352 WeakPolarHBondContact O-CB 3.5Å; F349-Y352 PolarHBondContact O-N 3.19Å; F349-W353 HydrophobicContact CB-CD2 3.58Å; F349-W353 VanDerWaalsContact CB-CE2 3.42Å; F349-W353 HydrophobicContact CB-CE3 3.82Å; F349-W353 HydrophobicContact CB-CG 4.23Å; F349-W353 HydrophobicContact CB-CH2 3.81Å; F349-W353 HydrophobicContact CB-CZ2 3.55Å; F349-W353 HydrophobicContact CB-CZ3 3.93Å; F349-W353 HydrophobicContact CD2-CH2 4.28Å; F349-W353 HydrophobicContact CD2-CZ2 4.03Å; F349-W353 HydrophobicContact CG-CH2 4.48Å; F349-W353 HydrophobicContact CG-CZ2 4.06Å; F349-W353 WeakPolarHBondContact O-CB 3.26Å; F349-W353 PolarHBondContact O-N 3.42Å
350	C	68.2	Low	67.8	Low	0 Å²	0	80.6 Å²	80.6	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-51.8	-41.6	-178.9	-66.8	0	0	0	0	113.8	D345 N347 L348 Y352 W353 A354 Y369 C370 S373	D345-C350 HydrophobicContact CB-CB 3.55Å; D345-C350 WeakPolarHBondContact OD1-CB 3.28Å; N347-C350 WeakPolarHBondContact O-CB 3.38Å; N347-C350 PolarHBondContact O-N 3.26Å; N347-C350 VanDerWaalsContact O-N 3.14Å; N347-C350 PolarHBondContact O-SG 3.48Å; L348-C350 VanDerWaalsContact C-N 3.34Å; C350-Y352 PolarHBondContact O-N 3.42Å; C350-W353 PolarHBondContact O-N 2.94Å; C350-A354 VanDerWaalsContact O-CB 3.29Å; C350-A354 WeakPolarHBondContact O-CB 3.37Å; C350-A354 PolarHBondContact O-N 2.82Å; C350-Y369 PolarHBondContact SG-O 3.05Å; C350-C370 WeakPolarHBondContact CA-SG 3.46Å; C350-C370 HydrophobicContact CB-CB 3.4Å; C350-C370 WeakPolarHBondContact CB-SG 3.33Å; C350-C370 WeakPolarHBondContact SG-CA 3.33Å; C350-C370 WeakPolarHBondContact SG-CB 3.4Å; C350-C370 CovalentContact SG-SG 2.03Å; C350-C370 PolarHBondContact SG-SG 2.68Å; C350-S373 WeakPolarHBondContact CB-OG 3.44Å; C350-S373 WeakPolarHBondContact O-CB 3.22Å; C350-S373 PolarHBondContact O-OG 2.93Å
351	P	64.3	Low	68.9	Low	76 Å²	76	79 Å²	79	49%	0.494	40%	0.399	S	S	.	.	H	α-helix	trans	-64.7	-40.4	176.9	-24	34.7	0	0	0	112.6	L348 F349 M355 S373	L348-P351 WeakPolarHBondContact O-CD 3.46Å; F349-P351 VanDerWaalsContact C-CD 3.46Å; F349-P351 VanDerWaalsContact C-N 3.29Å; P351-M355 VanDerWaalsContact O-CB 3.32Å; P351-M355 WeakPolarHBondContact O-CB 3.27Å; P351-M355 PolarHBondContact O-N 3.23Å; P351-S373 VanDerWaalsContact CA-OG 3.29Å; P351-S373 WeakPolarHBondContact CA-OG 3.44Å; P351-S373 VanDerWaalsContact CD-OG 3.32Å; P351-S373 WeakPolarHBondContact CD-OG 3.39Å; P351-S373 WeakPolarHBondContact CG-OG 3.35Å
352	Y	54.9	Low	70.2	Confident	74 Å²	74	77 Å²	77	29%	0.29	39%	0.386	S	S	.	.	H	α-helix	trans	-66.9	-47.8	177.8	169	-101	0	0	0	111.6	F253 F349 C350 A354 M355 I356	F253-Y352 HydrophobicContact CE1-CE1 4.4Å; F253-Y352 HydrophobicContact CZ-CE1 4.29Å; F349-Y352 WeakPolarHBondContact O-CB 3.5Å; F349-Y352 PolarHBondContact O-N 3.19Å; C350-Y352 PolarHBondContact O-N 3.42Å; Y352-A354 VanDerWaalsContact C-N 3.32Å; Y352-A354 PolarHBondContact O-N 3.13Å; Y352-M355 HydrophobicContact CD2-CE 3.74Å; Y352-M355 HydrophobicContact CE2-CE 4.12Å; Y352-M355 WeakPolarHBondContact O-CB 3.47Å; Y352-M355 PolarHBondContact O-N 3.09Å; Y352-M355 VanDerWaalsContact O-N 3.14Å; Y352-I356 HydrophobicContact CD1-CD1 4.38Å; Y352-I356 HydrophobicContact CD2-CG2 4.26Å; Y352-I356 HydrophobicContact CE1-CD1 3.71Å; Y352-I356 HydrophobicContact CE1-CG2 4.44Å; Y352-I356 HydrophobicContact CE2-CG2 3.76Å; Y352-I356 PolarHBondContact O-N 3.46Å
353	W	69.4	Low	71	Confident	28 Å²	28	77 Å²	77	11%	0.106	39%	0.385	C	S	.	.	H	α-helix	trans	-61	-41.5	177.3	-71.2	-29.5	0	0	0	111.9	F253 N347 F349 C350 I356 G357 E358 F365 M366 C370	F253-W353 HydrophobicContact CD1-CZ2 4.22Å; F253-W353 AromaticContact CE1-CE2 3.63Å; F253-W353 AromaticContact CE1-CZ2 3.79Å; F253-W353 HydrophobicContact CE1-CZ2 3.79Å; F253-W353 AromaticContact CE1-NE1 2.96Å; F253-W353 AromaticContact CZ-CD1 3.97Å; F253-W353 HydrophobicContact CZ-CZ2 4.47Å; F253-W353 AromaticContact CZ-NE1 3.11Å; N347-W353 HydrophobicContact CB-CH2 4.21Å; N347-W353 HydrophobicContact CB-CZ3 3.68Å; N347-W353 VanDerWaalsContact CG-CH2 3.43Å; N347-W353 VanDerWaalsContact CG-CZ3 3.42Å; N347-W353 WeakPolarHBondContact ND2-CH2 3.25Å; F349-W353 HydrophobicContact CB-CD2 3.58Å; F349-W353 VanDerWaalsContact CB-CE2 3.42Å; F349-W353 HydrophobicContact CB-CE3 3.82Å; F349-W353 HydrophobicContact CB-CG 4.23Å; F349-W353 HydrophobicContact CB-CH2 3.81Å; F349-W353 HydrophobicContact CB-CZ2 3.55Å; F349-W353 HydrophobicContact CB-CZ3 3.93Å; F349-W353 HydrophobicContact CD2-CH2 4.28Å; F349-W353 HydrophobicContact CD2-CZ2 4.03Å; F349-W353 HydrophobicContact CG-CH2 4.48Å; F349-W353 HydrophobicContact CG-CZ2 4.06Å; F349-W353 WeakPolarHBondContact O-CB 3.26Å; F349-W353 PolarHBondContact O-N 3.42Å; C350-W353 PolarHBondContact O-N 2.94Å; W353-I356 WeakPolarHBondContact O-CG1 3.37Å; W353-I356 PolarHBondContact O-N 3.25Å; W353-G357 PolarHBondContact O-N 3.41Å; W353-E358 HydrophobicContact CB-CB 3.9Å; W353-E358 HydrophobicContact CB-CG 3.85Å; W353-E358 HydrophobicContact CG-CG 4.19Å; W353-E358 VanDerWaalsContact O-CB 3.27Å; W353-E358 WeakPolarHBondContact O-CB 3.46Å; W353-E358 WeakPolarHBondContact O-CG 3.15Å; W353-E358 PolarHBondContact O-N 2.68Å; W353-F365 AromaticContact CE3-CE1 3.88Å; W353-F365 HydrophobicContact CE3-CE1 3.88Å; W353-F365 AromaticContact CH2-CE1 3.94Å; W353-F365 HydrophobicContact CH2-CE1 3.94Å; W353-F365 AromaticContact CH2-CZ 3.96Å; W353-F365 HydrophobicContact CH2-CZ 3.96Å; W353-F365 AromaticContact CZ3-CE1 3.43Å; W353-F365 HydrophobicContact CZ3-CE1 3.43Å; W353-F365 VanDerWaalsContact CZ3-CE1 3.43Å; W353-F365 AromaticContact CZ3-CZ 3.78Å; W353-F365 HydrophobicContact CZ3-CZ 3.78Å; W353-M366 HydrophobicContact CB-CE 3.47Å; W353-M366 VanDerWaalsContact CB-CE 3.47Å; W353-M366 HydrophobicContact CB-SD 3.95Å; W353-M366 HydrophobicContact CE3-SD 4.2Å; W353-C370 VanDerWaalsContact CE3-SG 3.5Å
354	A	72.4	Confident	70.9	Confident	23 Å²	23	82.6 Å²	82.6	19%	0.19	40%	0.402	C	S	.	.	H	α-helix	trans	-61.9	-44	172.9	0	0	0	0	0	112.2	C350 Y352 I356 G357 C359 S373	C350-A354 VanDerWaalsContact O-CB 3.29Å; C350-A354 WeakPolarHBondContact O-CB 3.37Å; C350-A354 PolarHBondContact O-N 2.82Å; Y352-A354 VanDerWaalsContact C-N 3.32Å; Y352-A354 PolarHBondContact O-N 3.13Å; A354-I356 PolarHBondContact O-N 3.21Å; A354-G357 PolarHBondContact O-N 3.41Å; A354-C359 WeakPolarHBondContact CA-SG 3.44Å; A354-C359 WeakPolarHBondContact CB-SG 3.42Å; A354-S373 WeakPolarHBondContact CB-O 3.49Å
355	M	66.9	Low	70.6	Confident	145 Å²	145	81.2 Å²	81.2	71%	0.714	40%	0.396	S	S	*	.	H	α-helix	trans	-60.9	-39.1	177.9	-178.1	-173.7	72.1	0	0	113	P351 Y352 G357	P351-M355 VanDerWaalsContact O-CB 3.32Å; P351-M355 WeakPolarHBondContact O-CB 3.27Å; P351-M355 PolarHBondContact O-N 3.23Å; Y352-M355 HydrophobicContact CD2-CE 3.74Å; Y352-M355 HydrophobicContact CE2-CE 4.12Å; Y352-M355 WeakPolarHBondContact O-CB 3.47Å; Y352-M355 PolarHBondContact O-N 3.09Å; Y352-M355 VanDerWaalsContact O-N 3.14Å; M355-G357 VanDerWaalsContact C-N 3.3Å; M355-G357 PolarHBondContact O-N 3.28Å
356	I	66.3	Low	70.7	Confident	75 Å²	75	79.2 Å²	79.2	39%	0.385	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	0.8	179.6	69	171	0	0	0	113.9	Y352 W353 A354 E358	Y352-I356 HydrophobicContact CD1-CD1 4.38Å; Y352-I356 HydrophobicContact CD2-CG2 4.26Å; Y352-I356 HydrophobicContact CE1-CD1 3.71Å; Y352-I356 HydrophobicContact CE1-CG2 4.44Å; Y352-I356 HydrophobicContact CE2-CG2 3.76Å; Y352-I356 PolarHBondContact O-N 3.46Å; W353-I356 WeakPolarHBondContact O-CG1 3.37Å; W353-I356 PolarHBondContact O-N 3.25Å; A354-I356 PolarHBondContact O-N 3.21Å; I356-E358 HydrophobicContact CD1-CG 4.02Å; I356-E358 HydrophobicContact CG1-CG 3.92Å
357	G	75.8	Confident	71.2	Confident	26 Å²	26	78.5 Å²	78.5	27%	0.268	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	11.9	173.5	0	0	0	0	0	116	W353 A354 M355 C359 K360 N361	W353-G357 PolarHBondContact O-N 3.41Å; A354-G357 PolarHBondContact O-N 3.41Å; M355-G357 VanDerWaalsContact C-N 3.3Å; M355-G357 PolarHBondContact O-N 3.28Å; G357-C359 PolarHBondContact O-N 3.41Å; G357-C359 VanDerWaalsContact O-N 3.16Å; G357-K360 PolarHBondContact O-N 3.39Å; G357-N361 PolarHBondContact O-N 3.08Å
358	E	76.7	Confident	71.7	Confident	46 Å²	46	78.3 Å²	78.3	22%	0.215	39%	0.392	C	S	.	.	H	α-helix	trans	-62.5	-22.9	179.3	-64.1	-52.5	143.8	0	0	113	W353 I356 K360 N361 E362 M366	W353-E358 HydrophobicContact CB-CB 3.9Å; W353-E358 HydrophobicContact CB-CG 3.85Å; W353-E358 HydrophobicContact CG-CG 4.19Å; W353-E358 VanDerWaalsContact O-CB 3.27Å; W353-E358 WeakPolarHBondContact O-CB 3.46Å; W353-E358 WeakPolarHBondContact O-CG 3.15Å; W353-E358 PolarHBondContact O-N 2.68Å; I356-E358 HydrophobicContact CD1-CG 4.02Å; I356-E358 HydrophobicContact CG1-CG 3.92Å; E358-K360 PolarHBondContact O-N 2.82Å; E358-N361 PolarHBondContact O-N 3.39Å; E358-N361 VanDerWaalsContact O-N 3.16Å; E358-E362 PolarHBondContact O-N 3.29Å; E358-E362 WeakPolarHBondContact OE2-CG 3.4Å; E358-M366 HydrophobicContact CB-CE 4.14Å; E358-M366 HydrophobicContact CB-CG 4.03Å; E358-M366 HydrophobicContact CB-SD 3.85Å; E358-M366 WeakPolarHBondContact O-CG 3.35Å
359	C	85	Confident	72.5	Confident	32 Å²	32	74.1 Å²	74.1	22%	0.216	37%	0.368	C	S	.	.	H	α-helix	trans	-54.7	-26.7	172.8	-55.6	0	0	0	0	113	A354 G357 Q363 C374	A354-C359 WeakPolarHBondContact CA-SG 3.44Å; A354-C359 WeakPolarHBondContact CB-SG 3.42Å; G357-C359 PolarHBondContact O-N 3.41Å; G357-C359 VanDerWaalsContact O-N 3.16Å; C359-Q363 WeakPolarHBondContact O-CG 3.47Å; C359-C374 WeakPolarHBondContact CA-SG 3.27Å; C359-C374 HydrophobicContact CB-CB 3.74Å; C359-C374 WeakPolarHBondContact CB-SG 3.35Å; C359-C374 WeakPolarHBondContact SG-CA 3.33Å; C359-C374 WeakPolarHBondContact SG-CB 3.33Å; C359-C374 CovalentContact SG-SG 2.02Å; C359-C374 PolarHBondContact SG-SG 2.82Å
360	K	82.9	Confident	73.7	Confident	169 Å²	169	72.5 Å²	72.5	74%	0.735	36%	0.361	S	S	*	.	H	α-helix	trans	-96.2	-35.7	176.3	-65.1	-176	-179.9	-179	0	112.8	G357 E358 Q363	G357-K360 PolarHBondContact O-N 3.39Å; E358-K360 PolarHBondContact O-N 2.82Å; K360-Q363 WeakPolarHBondContact O-CG 3.22Å; K360-Q363 PolarHBondContact O-NE2 3.24Å; K360-Q363 VanDerWaalsContact O-NE2 3.08Å
361	N	67.3	Low	74.6	Confident	115 Å²	115	73.7 Å²	73.7	62%	0.615	37%	0.369	S	S	*	.	H	α-helix	trans	-80.4	-40.9	-174.3	-61.6	-24.1	0	0	0	112.5	G357 E358	G357-N361 PolarHBondContact O-N 3.08Å; E358-N361 PolarHBondContact O-N 3.39Å; E358-N361 VanDerWaalsContact O-N 3.16Å
362	E	75	Confident	75.8	Confident	109 Å²	109	77.7 Å²	77.7	51%	0.509	37%	0.374	S	S	.	.	S	Bend	trans	-121.7	48.3	-172.8	-70.3	-63.9	163.4	0	0	111.3	E358 K364 F365 M366	E358-E362 PolarHBondContact O-N 3.29Å; E358-E362 WeakPolarHBondContact OE2-CG 3.4Å; E362-K364 VanDerWaalsContact C-N 3.28Å; E362-K364 PolarHBondContact O-N 3.38Å; E362-K364 VanDerWaalsContact O-N 3.1Å; E362-F365 HydrophobicContact CB-CB 4.4Å; E362-F365 PolarHBondContact O-N 3.28Å; E362-M366 HydrophobicContact CB-CG 4.33Å; E362-M366 WeakPolarHBondContact O-CG 3.14Å; E362-M366 PolarHBondContact O-N 3.03Å
363	Q	78	Confident	77.3	Confident	131 Å²	131	75.2 Å²	75.2	61%	0.612	37%	0.368	S	S	*	.	H	α-helix	trans	-50.9	-41.5	-169.8	-67.3	175.4	28.7	0	0	113.9	C359 K360 K367	C359-Q363 WeakPolarHBondContact O-CG 3.47Å; K360-Q363 WeakPolarHBondContact O-CG 3.22Å; K360-Q363 PolarHBondContact O-NE2 3.24Å; K360-Q363 VanDerWaalsContact O-NE2 3.08Å; Q363-K367 WeakPolarHBondContact O-CB 3.44Å; Q363-K367 PolarHBondContact O-N 2.79Å
364	K	73.7	Confident	78.2	Confident	184 Å²	184	74.5 Å²	74.5	80%	0.8	37%	0.367	S	S	*	.	H	α-helix	trans	-65.5	-46.7	-179.6	-72.1	-175.8	178.6	179.7	0	111.8	E362 A368	E362-K364 VanDerWaalsContact C-N 3.28Å; E362-K364 PolarHBondContact O-N 3.38Å; E362-K364 VanDerWaalsContact O-N 3.1Å; K364-A368 PolarHBondContact O-N 2.68Å
365	F	74.6	Confident	79	Confident	61 Å²	61	80.5 Å²	80.5	27%	0.268	40%	0.396	S	S	.	.	H	α-helix	trans	-67.3	-48.4	178.5	176.9	-91.5	0	0	0	110.7	W353 E362 K367 A368 Y369	W353-F365 AromaticContact CE3-CE1 3.88Å; W353-F365 HydrophobicContact CE3-CE1 3.88Å; W353-F365 AromaticContact CH2-CE1 3.94Å; W353-F365 HydrophobicContact CH2-CE1 3.94Å; W353-F365 AromaticContact CH2-CZ 3.96Å; W353-F365 HydrophobicContact CH2-CZ 3.96Å; W353-F365 AromaticContact CZ3-CE1 3.43Å; W353-F365 HydrophobicContact CZ3-CE1 3.43Å; W353-F365 VanDerWaalsContact CZ3-CE1 3.43Å; W353-F365 AromaticContact CZ3-CZ 3.78Å; W353-F365 HydrophobicContact CZ3-CZ 3.78Å; E362-F365 HydrophobicContact CB-CB 4.4Å; E362-F365 PolarHBondContact O-N 3.28Å; F365-K367 VanDerWaalsContact C-N 3.27Å; F365-K367 PolarHBondContact O-N 2.98Å; F365-A368 PolarHBondContact O-N 2.76Å; F365-A368 VanDerWaalsContact O-N 3.07Å; F365-Y369 AromaticContact CD2-CD2 3.79Å; F365-Y369 HydrophobicContact CD2-CD2 3.79Å; F365-Y369 HydrophobicContact CD2-CE2 4.23Å; F365-Y369 AromaticContact CE2-CD2 3.76Å; F365-Y369 HydrophobicContact CE2-CD2 3.76Å; F365-Y369 HydrophobicContact CE2-CE2 4.26Å; F365-Y369 HydrophobicContact CE2-CG 4.09Å; F365-Y369 HydrophobicContact CG-CD2 4.35Å; F365-Y369 HydrophobicContact CZ-CD2 4.3Å; F365-Y369 HydrophobicContact CZ-CG 4.24Å; F365-Y369 WeakPolarHBondContact O-CD2 3.46Å; F365-Y369 PolarHBondContact O-N 2.87Å
366	M	80.6	Confident	79.9	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-62.7	-34.9	-179.8	-64.7	-53.5	-73.7	0	0	112.2	W353 E358 E362 C370 S371 C374	W353-M366 HydrophobicContact CB-CE 3.47Å; W353-M366 VanDerWaalsContact CB-CE 3.47Å; W353-M366 HydrophobicContact CB-SD 3.95Å; W353-M366 HydrophobicContact CE3-SD 4.2Å; E358-M366 HydrophobicContact CB-CE 4.14Å; E358-M366 HydrophobicContact CB-CG 4.03Å; E358-M366 HydrophobicContact CB-SD 3.85Å; E358-M366 WeakPolarHBondContact O-CG 3.35Å; E362-M366 HydrophobicContact CB-CG 4.33Å; E362-M366 WeakPolarHBondContact O-CG 3.14Å; E362-M366 PolarHBondContact O-N 3.03Å; M366-C370 HydrophobicContact CB-CB 4.44Å; M366-C370 HydrophobicContact CE-CB 3.39Å; M366-C370 CarbonylContact O-C 3.59Å; M366-C370 WeakPolarHBondContact O-CA 3.09Å; M366-C370 WeakPolarHBondContact O-CB 3.5Å; M366-C370 PolarHBondContact O-N 3.2Å; M366-C370 HydrophobicContact SD-CB 3.92Å; M366-S371 PolarHBondContact O-N 2.86Å; M366-C374 WeakPolarHBondContact CE-SG 3.34Å
367	K	83	Confident	80.7	Confident	145 Å²	145	75.2 Å²	75.2	63%	0.63	37%	0.373	S	S	*	.	H	α-helix	trans	-65.8	-37.5	173.8	-172.6	175.4	-178.4	178.5	0	112.8	Q363 F365 S371 L376	Q363-K367 WeakPolarHBondContact O-CB 3.44Å; Q363-K367 PolarHBondContact O-N 2.79Å; F365-K367 VanDerWaalsContact C-N 3.27Å; F365-K367 PolarHBondContact O-N 2.98Å; K367-S371 PolarHBondContact O-OG 2.83Å; K367-L376 HydrophobicContact CB-CD1 3.85Å; K367-L376 HydrophobicContact CG-CD1 4.33Å
368	A	76.9	Confident	80.5	Confident	45 Å²	45	80 Å²	80	37%	0.372	40%	0.397	S	S	.	.	H	α-helix	trans	-82.3	-31.9	-177.1	0	0	0	0	0	113.9	K364 F365	K364-A368 PolarHBondContact O-N 2.68Å; F365-A368 PolarHBondContact O-N 2.76Å; F365-A368 VanDerWaalsContact O-N 3.07Å
369	Y	77.8	Confident	79.2	Confident	38 Å²	38	85.9 Å²	85.9	15%	0.149	43%	0.429	C	S	.	.	H	α-helix	trans	-118.6	-22.1	-172	-66.9	-90.1	0	0	0	114.4	L295 L299 D345 R346 C350 F365	L295-Y369 HydrophobicContact CD1-CE1 3.89Å; L295-Y369 VanDerWaalsContact CD1-OH 3.3Å; L295-Y369 WeakPolarHBondContact CD1-OH 3.44Å; L299-Y369 HydrophobicContact CD1-CE2 4.33Å; L299-Y369 HydrophobicContact CD2-CE2 3.71Å; L299-Y369 WeakPolarHBondContact CD2-OH 3.45Å; L299-Y369 HydrophobicContact CG-CE2 4.48Å; D345-Y369 CarbonylContact C-O 3.48Å; R346-Y369 HydrophobicContact CB-CD1 4.09Å; R346-Y369 PolarHBondContact N-O 3.14Å; C350-Y369 PolarHBondContact SG-O 3.05Å; F365-Y369 AromaticContact CD2-CD2 3.79Å; F365-Y369 HydrophobicContact CD2-CD2 3.79Å; F365-Y369 HydrophobicContact CD2-CE2 4.23Å; F365-Y369 AromaticContact CE2-CD2 3.76Å; F365-Y369 HydrophobicContact CE2-CD2 3.76Å; F365-Y369 HydrophobicContact CE2-CE2 4.26Å; F365-Y369 HydrophobicContact CE2-CG 4.09Å; F365-Y369 HydrophobicContact CG-CD2 4.35Å; F365-Y369 HydrophobicContact CZ-CD2 4.3Å; F365-Y369 HydrophobicContact CZ-CG 4.24Å; F365-Y369 WeakPolarHBondContact O-CD2 3.46Å; F365-Y369 PolarHBondContact O-N 2.87Å
370	C	78.4	Confident	77.3	Confident	0 Å²	0	95.3 Å²	95.3	0%	0	47%	0.467	C	S	.	.	B	Isolated β-bridge	trans	-130.4	35	-170.6	-62.6	0	0	0	0	112.6	D345 C350 W353 M366 R372 S373 C374	D345-C370 WeakPolarHBondContact OD1-CA 3.33Å; C350-C370 WeakPolarHBondContact CA-SG 3.46Å; C350-C370 HydrophobicContact CB-CB 3.4Å; C350-C370 WeakPolarHBondContact CB-SG 3.33Å; C350-C370 WeakPolarHBondContact SG-CA 3.33Å; C350-C370 WeakPolarHBondContact SG-CB 3.4Å; C350-C370 CovalentContact SG-SG 2.03Å; C350-C370 PolarHBondContact SG-SG 2.68Å; W353-C370 VanDerWaalsContact CE3-SG 3.5Å; M366-C370 HydrophobicContact CB-CB 4.44Å; M366-C370 HydrophobicContact CE-CB 3.39Å; M366-C370 CarbonylContact O-C 3.59Å; M366-C370 WeakPolarHBondContact O-CA 3.09Å; M366-C370 WeakPolarHBondContact O-CB 3.5Å; M366-C370 PolarHBondContact O-N 3.2Å; M366-C370 HydrophobicContact SD-CB 3.92Å; C370-R372 PolarHBondContact O-N 2.83Å; C370-S373 PolarHBondContact O-N 3.18Å; C370-C374 WeakPolarHBondContact O-CB 3.4Å; C370-C374 PolarHBondContact O-N 3.29Å
371	S	87.5	Confident	77	Confident	25 Å²	25	91.7 Å²	91.7	18%	0.175	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.5	-171.7	-35.4	0	0	0	0	111.6	M366 K367 N375 L376 C377	M366-S371 PolarHBondContact O-N 2.86Å; K367-S371 PolarHBondContact O-OG 2.83Å; S371-N375 PolarHBondContact O-N 3.38Å; S371-L376 PolarHBondContact O-N 3.07Å; S371-C377 PolarHBondContact O-N 3.16Å; S371-C377 PolarHBondContact O-SG 3.06Å; S371-C377 VanDerWaalsContact O-SG 3.4Å
372	R	87.9	Confident	77.5	Confident	159 Å²	159	90.4 Å²	90.4	60%	0.6	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-50.9	179.1	179.3	178.1	-179.9	145.4	-0.7	111	D345 C370 C374 N375	D345-R372 WeakPolarHBondContact OD1-CB 3.45Å; D345-R372 PolarHBondContact OD1-N 2.69Å; C370-R372 PolarHBondContact O-N 2.83Å; R372-C374 VanDerWaalsContact C-N 3.27Å; R372-C374 PolarHBondContact O-N 3.48Å; R372-N375 PolarHBondContact O-N 2.89Å; R372-N375 VanDerWaalsContact O-N 3.13Å
373	S	86.3	Confident	77.6	Confident	23 Å²	23	89.4 Å²	89.4	16%	0.161	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-29.9	179.9	-73.9	0	0	0	0	113.7	D345 C350 P351 A354 C370 N375	D345-S373 VanDerWaalsContact CG-OG 3.22Å; D345-S373 PolarHBondContact OD1-N 3.41Å; D345-S373 PolarHBondContact OD1-OG 3.12Å; D345-S373 WeakPolarHBondContact OD2-CB 3.48Å; D345-S373 PolarHBondContact OD2-N 3.23Å; D345-S373 PolarHBondContact OD2-OG 2.97Å; C350-S373 WeakPolarHBondContact CB-OG 3.44Å; C350-S373 WeakPolarHBondContact O-CB 3.22Å; C350-S373 PolarHBondContact O-OG 2.93Å; P351-S373 VanDerWaalsContact CA-OG 3.29Å; P351-S373 WeakPolarHBondContact CA-OG 3.44Å; P351-S373 VanDerWaalsContact CD-OG 3.32Å; P351-S373 WeakPolarHBondContact CD-OG 3.39Å; P351-S373 WeakPolarHBondContact CG-OG 3.35Å; A354-S373 WeakPolarHBondContact CB-O 3.49Å; C370-S373 PolarHBondContact O-N 3.18Å; S373-N375 VanDerWaalsContact C-N 3.34Å
374	C	88.9	Confident	77.6	Confident	12 Å²	12	86.9 Å²	86.9	8%	0.081	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	7.8	175.9	-74.5	0	0	0	0	114.9	C359 M366 C370 R372 L376	C359-C374 WeakPolarHBondContact CA-SG 3.27Å; C359-C374 HydrophobicContact CB-CB 3.74Å; C359-C374 WeakPolarHBondContact CB-SG 3.35Å; C359-C374 WeakPolarHBondContact SG-CA 3.33Å; C359-C374 WeakPolarHBondContact SG-CB 3.33Å; C359-C374 CovalentContact SG-SG 2.02Å; C359-C374 PolarHBondContact SG-SG 2.82Å; M366-C374 WeakPolarHBondContact CE-SG 3.34Å; C370-C374 WeakPolarHBondContact O-CB 3.4Å; C370-C374 PolarHBondContact O-N 3.29Å; R372-C374 VanDerWaalsContact C-N 3.27Å; R372-C374 PolarHBondContact O-N 3.48Å; C374-L376 HydrophobicContact CB-CD1 3.64Å; C374-L376 HydrophobicContact CB-CG 3.65Å; C374-L376 PolarHBondContact O-N 2.82Å; C374-L376 VanDerWaalsContact O-N 3.15Å
375	N	88.4	Confident	77.9	Confident	149 Å²	149	80.9 Å²	80.9	80%	0.797	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	33.4	-175.9	-56	-47.3	0	0	0	112.6	S371 R372 S373 C377	S371-N375 PolarHBondContact O-N 3.38Å; R372-N375 PolarHBondContact O-N 2.89Å; R372-N375 VanDerWaalsContact O-N 3.13Å; S373-N375 VanDerWaalsContact C-N 3.34Å; N375-C377 VanDerWaalsContact C-N 3.31Å
376	L	86.4	Confident	78.1	Confident	69 Å²	69	82.2 Å²	82.2	36%	0.361	42%	0.417	S	S	.	.			trans	-93	5.4	178.8	-60.1	174	0	0	0	112.1	K367 S371 C374 V378	K367-L376 HydrophobicContact CB-CD1 3.85Å; K367-L376 HydrophobicContact CG-CD1 4.33Å; S371-L376 PolarHBondContact O-N 3.07Å; C374-L376 HydrophobicContact CB-CD1 3.64Å; C374-L376 HydrophobicContact CB-CG 3.65Å; C374-L376 PolarHBondContact O-N 2.82Å; C374-L376 VanDerWaalsContact O-N 3.15Å; L376-V378 PolarHBondContact O-N 2.77Å
377	C	83.2	Confident	77.9	Confident	40 Å²	40	88 Å²	88	27%	0.27	45%	0.447	S	S	.	.			trans	-74.3	104.2	171.6	-60.8	0	0	0	0	109.2	C343 S371 N375 L379	C343-C377 HydrophobicContact CB-CB 3.62Å; C343-C377 WeakPolarHBondContact CB-SG 3.32Å; C343-C377 WeakPolarHBondContact SG-CB 3.27Å; C343-C377 CovalentContact SG-SG 1.98Å; C343-C377 PolarHBondContact SG-SG 3.41Å; S371-C377 PolarHBondContact O-N 3.16Å; S371-C377 PolarHBondContact O-SG 3.06Å; S371-C377 VanDerWaalsContact O-SG 3.4Å; N375-C377 VanDerWaalsContact C-N 3.31Å; C377-L379 PolarHBondContact O-N 2.73Å
378	V	71	Confident	77.5	Confident	128 Å²	128	83.6 Å²	83.6	78%	0.776	43%	0.433	S	S	*	.			trans	-77.2	115.5	170.4	-165	0	0	0	0	106.4	L376 K380	L376-V378 PolarHBondContact O-N 2.77Å; V378-K380 PolarHBondContact O-N 3.28Å; V378-K380 VanDerWaalsContact O-N 3.16Å
379	L	51.1	Low	77.6	Confident	169 Å²	169	86.8 Å²	86.8	89%	0.885	44%	0.438	S	S	*	.			trans	-62.4	113	163.4	-65.7	169.2	0	0	0	106.1	C377	C377-L379 PolarHBondContact O-N 2.73Å
380	K	43.9	Very low	77.5	Confident	230 Å²	230	91.3 Å²	91.3	100%	1	46%	0.464	S	S	*	.			trans	-82.2	0	161.8	-93.1	-171.3	174.6	-176.3	0	109	V378	V378-K380 PolarHBondContact O-N 3.28Å; V378-K380 VanDerWaalsContact O-N 3.16Å

Retrieved 380 of 380 residues in 459.8 ms (Link to these results)

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