A0A2K5NYX0_CERAT Loading...

Matrix metallopeptidase 20

AlphaFold DB , UniProt , Accession A0A2K5NYX0, Species CERAT (Cercocebus atys, Sooty mangabey), Gene MMP20, Length 483 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	34.4	Very low	37	Very low	237 Å²	237	137.8 Å²	137.8	100%	1.167	83%	0.832	S	S	*	*				0	129	0	-95.4	174	158.7	0	0	108.6
2	K	34.4	Very low	36.8	Very low	194 Å²	194	139.2 Å²	139.2	84%	0.843	83%	0.83	S	S	*	*			trans	59.9	107.2	159.7	-66.9	179.4	175.6	179.5	0	117.5
3	V	31.7	Very low	36.6	Very low	124 Å²	124	140.2 Å²	140.2	75%	0.752	83%	0.827	S	S	*	*				80.3	101.1	79.3	173.2	0	0	0	0	113
4	L	33.1	Very low	36.7	Very low	156 Å²	156	140.6 Å²	140.6	82%	0.817	82%	0.822	S	S	*	*				47.5	167.5	126	-72.7	164.3	0	0	0	121.4
5	P	53	Low	36.7	Very low	108 Å²	108	142.7 Å²	142.7	70%	0.701	82%	0.824	S	S	*	*			cis	-145.9	-175.2	-26.4	36.8	-15.8	0	0	0	116.8
6	A	39.4	Very low	36.7	Very low	88 Å²	88	139.7 Å²	139.7	73%	0.727	82%	0.821	S	S	*	*			trans	85.3	116	133.3	0	0	0	0	0	122.3
7	S	36.9	Very low	36.8	Very low	127 Å²	127	140.8 Å²	140.8	89%	0.888	82%	0.821	S	S	*	*				152.1	129.6	124.5	44.2	0	0	0	0	107.5
8	G	36.3	Very low	36.8	Very low	66 Å²	66	144.2 Å²	144.2	68%	0.68	82%	0.824	S	S	*	*			cis	126.1	110	20.1	0	0	0	0	0	107.1
9	L	34.9	Very low	36.8	Very low	184 Å²	184	146.8 Å²	146.8	96%	0.963	83%	0.826	S	S	*	*			trans	164.7	143.8	144.3	-92.6	149.3	0	0	0	113.5
10	A	35.5	Very low	36.8	Very low	93 Å²	93	145.2 Å²	145.2	77%	0.769	83%	0.825	S	S	*	*			trans	-79.8	153.2	-165.9	0	0	0	0	0	115
11	V	37.9	Very low	37.2	Very low	139 Å²	139	144.6 Å²	144.6	84%	0.842	82%	0.824	S	S	*	*			trans	-113.3	120.4	167.5	175.8	0	0	0	0	109.2
12	L	34.5	Very low	37.3	Very low	154 Å²	154	137.8 Å²	137.8	81%	0.806	81%	0.805	S	S	*	*			trans	-87.1	125.4	173.8	-114.4	133.3	0	0	0	109.4	I14	L12-I14 HydrophobicContact CD2-CG1 4.43Å
13	L	33.6	Very low	37.7	Very low	152 Å²	152	132.5 Å²	132.5	80%	0.796	80%	0.798	S	S	*	*			trans	-100.2	112.9	175.1	-147.3	102.5	0	0	0	109
14	I	37.6	Very low	38	Very low	147 Å²	147	132.8 Å²	132.8	75%	0.754	80%	0.802	S	S	*	*			trans	-112	107	171.1	-62.4	176.6	0	0	0	107.9	L12	L12-I14 HydrophobicContact CD2-CG1 4.43Å
15	M	37.1	Very low	38.2	Very low	172 Å²	172	130.2 Å²	130.2	85%	0.847	80%	0.797	S	S	*	*			trans	-91.6	116.2	165.4	-89.9	-128.3	-98.2	0	0	109.4
16	A	37.7	Very low	37.7	Very low	94 Å²	94	133.1 Å²	133.1	78%	0.777	81%	0.806	S	S	*	*			trans	-90.2	110	171.7	0	0	0	0	0	110.3	K18	A16-K18 PolarHBondContact O-N 3Å
17	L	37.2	Very low	37.9	Very low	158 Å²	158	135.6 Å²	135.6	83%	0.827	81%	0.812	S	S	*	*			trans	-70.5	116.1	166.9	-81.6	151.9	0	0	0	109.6
18	K	37	Very low	38.4	Very low	202 Å²	202	134 Å²	134	88%	0.878	81%	0.806	S	S	*	*			trans	-90.6	110.2	162.4	-74.3	-166	176.7	-175	0	109.1	A16 S20	A16-K18 PolarHBondContact O-N 3Å; K18-S20 PolarHBondContact O-N 3.3Å
19	F	37.3	Very low	39.2	Very low	194 Å²	194	133.6 Å²	133.6	85%	0.851	80%	0.797	S	S	*	*			trans	-62	121.7	164.5	-80.6	-96.3	0	0	0	109.4
20	S	37	Very low	40.4	Very low	115 Å²	115	127.7 Å²	127.7	80%	0.804	77%	0.77	S	S	*	*			trans	-109	105.9	161.8	-167.8	0	0	0	0	107.6	K18 A22	K18-S20 PolarHBondContact O-N 3.3Å; S20-A22 PolarHBondContact O-N 3.4Å; S20-A22 VanDerWaalsContact O-N 3.11Å
21	T	44.1	Very low	41.6	Very low	133 Å²	133	128 Å²	128	82%	0.816	77%	0.765	S	S	*	*			trans	-75.8	89.6	170.4	49.3	0	0	0	0	108.4	A23	T21-A23 PolarHBondContact O-N 3.28Å
22	A	37.6	Very low	42.7	Very low	93 Å²	93	131.5 Å²	131.5	77%	0.769	76%	0.763	S	S	*	*			trans	-73.1	103.8	163.3	0	0	0	0	0	108	S20	S20-A22 PolarHBondContact O-N 3.4Å; S20-A22 VanDerWaalsContact O-N 3.11Å
23	A	41.5	Very low	44.5	Very low	83 Å²	83	127.1 Å²	127.1	69%	0.686	74%	0.743	S	S	*	*			trans	-59.4	141.9	163.3	0	0	0	0	0	108.8	T21 S25	T21-A23 PolarHBondContact O-N 3.28Å; A23-S25 PolarHBondContact O-N 2.93Å
24	P	38.4	Very low	46.2	Very low	130 Å²	130	126.6 Å²	126.6	84%	0.844	73%	0.73	S	S	*	*			trans	-64	110.4	176.1	24.1	-28.8	0	0	0	108.7	L26	P24-L26 PolarHBondContact O-N 3.26Å
25	S	38.3	Very low	47.9	Very low	103 Å²	103	128.2 Å²	128.2	72%	0.72	73%	0.727	S	S	*	*			trans	-59.9	119.5	172	51.1	0	0	0	0	109.1	A23 V27	A23-S25 PolarHBondContact O-N 2.93Å; S25-V27 PolarHBondContact O-N 2.82Å; S25-V27 VanDerWaalsContact O-N 3.08Å
26	L	42.3	Very low	50.1	Low	169 Å²	169	124.9 Å²	124.9	89%	0.885	71%	0.712	S	S	*	*			trans	-49.7	116.4	160.7	-74	161.3	0	0	0	107.3	P24 A28	P24-L26 PolarHBondContact O-N 3.26Å; L26-A28 PolarHBondContact O-N 3.06Å
27	V	42.9	Very low	52.5	Low	140 Å²	140	122.1 Å²	122.1	85%	0.848	69%	0.685	S	S	*	*			trans	-61.1	97.7	-179	179.2	0	0	0	0	108.3	S25 A29	S25-V27 PolarHBondContact O-N 2.82Å; S25-V27 VanDerWaalsContact O-N 3.08Å; V27-A29 PolarHBondContact O-N 3.41Å
28	A	47.8	Very low	54.9	Low	92 Å²	92	119 Å²	119	76%	0.76	66%	0.663	S	S	*	*			trans	-66.8	115	166.6	0	0	0	0	0	107.2	L26 S30	L26-A28 PolarHBondContact O-N 3.06Å; A28-S30 PolarHBondContact O-N 2.95Å
29	A	53.4	Low	57.4	Low	59 Å²	59	118.3 Å²	118.3	49%	0.488	66%	0.655	S	S	.	*			trans	-54.3	126.4	178.3	0	0	0	0	0	109.9	V27	V27-A29 PolarHBondContact O-N 3.41Å
30	S	59.5	Low	60	Low	59 Å²	59	112.7 Å²	112.7	41%	0.413	63%	0.633	S	S	.	*			trans	-59.8	149.5	-179.9	72.4	0	0	0	0	111.1	A28 R32 T33 W34	A28-S30 PolarHBondContact O-N 2.95Å; S30-R32 PolarHBondContact O-N 2.89Å; S30-T33 PolarHBondContact N-OG1 3.28Å; S30-T33 PolarHBondContact O-N 3.39Å; S30-T33 PolarHBondContact O-OG1 3.16Å; S30-T33 WeakPolarHBondContact OG-CG2 3.5Å; S30-T33 PolarHBondContact OG-N 3.05Å; S30-T33 PolarHBondContact OG-OG1 3.3Å; S30-W34 PolarHBondContact O-N 2.79Å
31	P	60.2	Low	62.6	Low	101 Å²	101	107.2 Å²	107.2	66%	0.656	60%	0.595	S	S	*	*	H	α-helix	trans	-55	-28.6	-177.3	-27.5	34.2	0	0	0	114.6	R35	P31-R35 WeakPolarHBondContact O-CG 3.33Å; P31-R35 PolarHBondContact O-N 3.27Å
32	R	62.3	Low	64.8	Low	212 Å²	212	104.8 Å²	104.8	80%	0.8	57%	0.574	S	S	*	*	H	α-helix	trans	-70.7	-44.6	173.8	-77.1	-176.9	173.8	-180	-1.9	112.3	S30 R35 N36	S30-R32 PolarHBondContact O-N 2.89Å; R32-R35 PolarHBondContact O-N 2.88Å; R32-N36 PolarHBondContact O-N 3.26Å
33	T	70.9	Confident	67.3	Low	61 Å²	61	103.2 Å²	103.2	37%	0.374	56%	0.561	S	S	.	*	H	α-helix	trans	-65.4	-38.3	177.7	56.5	0	0	0	0	112.4	S30 N36 N37	S30-T33 PolarHBondContact N-OG1 3.28Å; S30-T33 PolarHBondContact O-N 3.39Å; S30-T33 PolarHBondContact O-OG1 3.16Å; S30-T33 WeakPolarHBondContact OG-CG2 3.5Å; S30-T33 PolarHBondContact OG-N 3.05Å; S30-T33 PolarHBondContact OG-OG1 3.3Å; T33-N36 PolarHBondContact O-N 2.87Å; T33-N37 PolarHBondContact O-N 3.39Å
34	W	70.6	Confident	69.7	Low	141 Å²	141	99.9 Å²	99.9	53%	0.534	53%	0.531	S	S	.	.	H	α-helix	trans	-62	-48.1	175.3	178.7	-102.3	0	0	0	112.6	S30 N36 N37 Y38	S30-W34 PolarHBondContact O-N 2.79Å; W34-N36 VanDerWaalsContact C-N 3.3Å; W34-N36 PolarHBondContact O-N 2.91Å; W34-N37 PolarHBondContact O-N 2.75Å; W34-Y38 PolarHBondContact O-N 3.1Å
35	R	72	Confident	72.3	Confident	181 Å²	181	93.8 Å²	93.8	68%	0.683	49%	0.491	S	S	*	.	H	α-helix	trans	-60.9	-37.3	177.7	-77.9	178.8	178.1	170.7	0.9	112.7	P31 R32 R39	P31-R35 WeakPolarHBondContact O-CG 3.33Å; P31-R35 PolarHBondContact O-N 3.27Å; R32-R35 PolarHBondContact O-N 2.88Å; R35-R39 WeakPolarHBondContact O-CG 3.49Å; R35-R39 PolarHBondContact O-N 3.25Å
36	N	84.4	Confident	74.6	Confident	102 Å²	102	92.1 Å²	92.1	55%	0.545	47%	0.474	S	S	.	.	H	α-helix	trans	-69.4	-44.6	177.3	-70.9	-6.5	0	0	0	112	R32 T33 W34 Y38 R39 L40	R32-N36 PolarHBondContact O-N 3.26Å; T33-N36 PolarHBondContact O-N 2.87Å; W34-N36 VanDerWaalsContact C-N 3.3Å; W34-N36 PolarHBondContact O-N 2.91Å; N36-Y38 VanDerWaalsContact C-N 3.3Å; N36-Y38 PolarHBondContact O-N 2.97Å; N36-R39 PolarHBondContact O-N 3.34Å; N36-L40 PolarHBondContact O-N 3.39Å
37	N	87.3	Confident	76.6	Confident	37 Å²	37	87.1 Å²	87.1	20%	0.198	45%	0.445	C	S	.	.	H	α-helix	trans	-61.1	-40	176.3	-76	-14.3	0	0	0	111.8	T33 W34 L40 A41 M92 K96	T33-N37 PolarHBondContact O-N 3.39Å; W34-N37 PolarHBondContact O-N 2.75Å; N37-L40 PolarHBondContact O-N 3.4Å; N37-A41 VanDerWaalsContact O-CB 3.29Å; N37-A41 WeakPolarHBondContact O-CB 3.47Å; N37-A41 PolarHBondContact O-N 3.09Å; N37-M92 HydrophobicContact CB-CE 3.77Å; N37-M92 HydrophobicContact CB-SD 4.14Å; N37-K96 PolarHBondContact OD1-NZ 3.13Å
38	Y	88.7	Confident	78.8	Confident	92 Å²	92	80.8 Å²	80.8	36%	0.361	41%	0.406	S	S	.	.	H	α-helix	trans	-62.6	-45.7	177.3	-174.3	-86.3	0	0	0	112.2	W34 N36 A41 Q42 M68 L87	W34-Y38 PolarHBondContact O-N 3.1Å; N36-Y38 VanDerWaalsContact C-N 3.3Å; N36-Y38 PolarHBondContact O-N 2.97Å; Y38-A41 PolarHBondContact O-N 3.09Å; Y38-Q42 VanDerWaalsContact CE1-OE1 3.23Å; Y38-Q42 WeakPolarHBondContact O-CB 3.29Å; Y38-Q42 PolarHBondContact O-N 2.85Å; Y38-M68 HydrophobicContact CD2-CE 4.02Å; Y38-M68 HydrophobicContact CD2-SD 4.14Å; Y38-M68 HydrophobicContact CE1-SD 4.27Å; Y38-M68 HydrophobicContact CE2-CE 3.79Å; Y38-M68 HydrophobicContact CE2-SD 3.31Å; Y38-M68 WeakPolarHBondContact CE2-SD 3.02Å; Y38-M68 PolarHBondContact OH-SD 2.7Å; Y38-L87 HydrophobicContact CD2-CD1 4.29Å
39	R	89.6	Confident	80.6	Confident	188 Å²	188	76.7 Å²	76.7	71%	0.709	37%	0.371	S	S	*	.	H	α-helix	trans	-62.5	-44	177.1	-74.3	180	176.3	-177.3	-2.6	112.1	R35 N36 Q42 A43	R35-R39 WeakPolarHBondContact O-CG 3.49Å; R35-R39 PolarHBondContact O-N 3.25Å; N36-R39 PolarHBondContact O-N 3.34Å; R39-Q42 PolarHBondContact O-N 2.9Å; R39-A43 PolarHBondContact O-N 2.81Å
40	L	90.9	Very high	81.7	Confident	76 Å²	76	75.8 Å²	75.8	40%	0.398	36%	0.359	S	S	.	.	H	α-helix	trans	-61.5	-47.3	176.8	179.3	63.9	0	0	0	111.2	N36 N37 Q42 A43 Y44 M92 I95 K96	N36-L40 PolarHBondContact O-N 3.39Å; N37-L40 PolarHBondContact O-N 3.4Å; L40-Q42 VanDerWaalsContact C-N 3.33Å; L40-Q42 PolarHBondContact O-N 3.41Å; L40-A43 PolarHBondContact O-N 3.14Å; L40-Y44 WeakPolarHBondContact O-CB 3.44Å; L40-Y44 PolarHBondContact O-N 3.11Å; L40-M92 HydrophobicContact CD2-CE 4.14Å; L40-I95 HydrophobicContact CD2-CG2 4.11Å; L40-I95 HydrophobicContact CG-CG2 3.84Å; L40-K96 HydrophobicContact CD2-CG 3.76Å
41	A	92.1	Very high	81.5	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-40.5	177.5	0	0	0	0	0	112	N37 Y38 Y44 L45 M68 L87 M92 I95	N37-A41 VanDerWaalsContact O-CB 3.29Å; N37-A41 WeakPolarHBondContact O-CB 3.47Å; N37-A41 PolarHBondContact O-N 3.09Å; Y38-A41 PolarHBondContact O-N 3.09Å; A41-Y44 WeakPolarHBondContact O-CB 3.47Å; A41-Y44 PolarHBondContact O-N 2.89Å; A41-L45 WeakPolarHBondContact O-CB 3.49Å; A41-L45 WeakPolarHBondContact O-CG 3.49Å; A41-L45 PolarHBondContact O-N 3.12Å; A41-M68 HydrophobicContact CB-CE 4.04Å; A41-L87 HydrophobicContact CB-CD1 3.65Å; A41-L87 HydrophobicContact CB-CD2 3.59Å; A41-L87 HydrophobicContact CB-CG 4.28Å; A41-M92 HydrophobicContact CB-SD 4.23Å; A41-I95 HydrophobicContact CB-CD1 3.76Å
42	Q	91.1	Very high	80.9	Confident	81 Å²	81	79.4 Å²	79.4	38%	0.379	36%	0.361	S	S	.	.	H	α-helix	trans	-63.3	-46.7	176.9	-175.8	159.5	3	0	0	111.6	Y38 R39 L40 Y44 L45 D46 M68	Y38-Q42 VanDerWaalsContact CE1-OE1 3.23Å; Y38-Q42 WeakPolarHBondContact O-CB 3.29Å; Y38-Q42 PolarHBondContact O-N 2.85Å; R39-Q42 PolarHBondContact O-N 2.9Å; L40-Q42 VanDerWaalsContact C-N 3.33Å; L40-Q42 PolarHBondContact O-N 3.41Å; Q42-Y44 VanDerWaalsContact C-N 3.31Å; Q42-Y44 PolarHBondContact O-N 3.2Å; Q42-L45 PolarHBondContact O-N 2.82Å; Q42-D46 WeakPolarHBondContact CG-OD2 3.36Å; Q42-D46 WeakPolarHBondContact O-CB 3.41Å; Q42-D46 VanDerWaalsContact O-CG 3.24Å; Q42-D46 PolarHBondContact O-N 3.35Å; Q42-M68 HydrophobicContact CB-CE 4.18Å
43	A	89.6	Confident	79.8	Confident	61 Å²	61	78.4 Å²	78.4	50%	0.504	37%	0.366	S	S	.	.	H	α-helix	trans	-59.1	-41.9	175.5	0	0	0	0	0	112.1	R39 L40 D46 K47	R39-A43 PolarHBondContact O-N 2.81Å; L40-A43 PolarHBondContact O-N 3.14Å; A43-D46 PolarHBondContact O-N 3.24Å; A43-K47 WeakPolarHBondContact O-CB 3.35Å; A43-K47 PolarHBondContact O-N 3.45Å
44	Y	92	Very high	77.8	Confident	13 Å²	13	78.6 Å²	78.6	5%	0.051	38%	0.38	C	S	.	.	H	α-helix	trans	-60.7	-49.8	175.9	-172.4	-79.7	0	0	0	112.1	L40 A41 Q42 D46 K47 Y48 Y49 L75 I95 R99	L40-Y44 WeakPolarHBondContact O-CB 3.44Å; L40-Y44 PolarHBondContact O-N 3.11Å; A41-Y44 WeakPolarHBondContact O-CB 3.47Å; A41-Y44 PolarHBondContact O-N 2.89Å; Q42-Y44 VanDerWaalsContact C-N 3.31Å; Q42-Y44 PolarHBondContact O-N 3.2Å; Y44-D46 VanDerWaalsContact C-N 3.31Å; Y44-D46 PolarHBondContact O-N 2.8Å; Y44-K47 PolarHBondContact O-N 3.36Å; Y44-Y48 AromaticContact CD1-CD2 3.79Å; Y44-Y48 HydrophobicContact CD1-CD2 3.79Å; Y44-Y48 AromaticContact CD2-CD2 3.75Å; Y44-Y48 HydrophobicContact CD2-CD2 3.75Å; Y44-Y48 AromaticContact CD2-CE2 3.64Å; Y44-Y48 HydrophobicContact CD2-CE2 3.64Å; Y44-Y48 AromaticContact CE1-CD2 3.8Å; Y44-Y48 HydrophobicContact CE1-CD2 3.8Å; Y44-Y48 AromaticContact CE2-CD2 3.79Å; Y44-Y48 HydrophobicContact CE2-CD2 3.79Å; Y44-Y48 AromaticContact CE2-CE2 3.73Å; Y44-Y48 HydrophobicContact CE2-CE2 3.73Å; Y44-Y48 AromaticContact CG-CD2 3.76Å; Y44-Y48 HydrophobicContact CG-CD2 3.76Å; Y44-Y48 HydrophobicContact CG-CE2 4.05Å; Y44-Y48 AromaticContact CZ-CD2 3.81Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.29Å; Y44-Y48 PolarHBondContact O-N 2.8Å; Y44-Y49 HydrophobicContact CD1-CE2 4.49Å; Y44-Y49 HydrophobicContact CE1-CD2 4.29Å; Y44-Y49 AromaticContact CE1-CE2 3.85Å; Y44-Y49 HydrophobicContact CE1-CE2 3.85Å; Y44-L75 HydrophobicContact CD1-CD1 3.71Å; Y44-L75 HydrophobicContact CE1-CD1 3.42Å; Y44-L75 VanDerWaalsContact CE1-CD1 3.42Å; Y44-L75 HydrophobicContact CE1-CG 4.34Å; Y44-I95 HydrophobicContact CD1-CG1 4.07Å; Y44-I95 HydrophobicContact CD2-CB 4.2Å; Y44-I95 HydrophobicContact CD2-CG1 4.27Å; Y44-I95 HydrophobicContact CD2-CG2 3.89Å; Y44-I95 HydrophobicContact CE1-CG1 4.34Å; Y44-I95 HydrophobicContact CE2-CB 4.49Å; Y44-I95 HydrophobicContact CG-CB 4.38Å; Y44-I95 HydrophobicContact CG-CG1 4.03Å; Y44-I95 HydrophobicContact CG-CG2 4.01Å; Y44-R99 PolarHBondContact OH-NH1 2.91Å
45	L	91.8	Very high	75.9	Confident	2 Å²	2	81.2 Å²	81.2	1%	0.01	40%	0.398	C	S	.	.	H	α-helix	trans	-68.1	-33.2	-179.4	-63.1	168.3	0	0	0	111.8	A41 Q42 K47 Y49 T50 M68 K71 I72 L75	A41-L45 WeakPolarHBondContact O-CB 3.49Å; A41-L45 WeakPolarHBondContact O-CG 3.49Å; A41-L45 PolarHBondContact O-N 3.12Å; Q42-L45 PolarHBondContact O-N 2.82Å; L45-K47 VanDerWaalsContact C-N 3.32Å; L45-Y49 HydrophobicContact CD2-CD2 4.11Å; L45-Y49 HydrophobicContact CD2-CG 4.24Å; L45-Y49 CarbonylContact O-C 3.51Å; L45-Y49 VanDerWaalsContact O-CA 3.26Å; L45-Y49 WeakPolarHBondContact O-CA 3.11Å; L45-Y49 WeakPolarHBondContact O-CB 3Å; L45-Y49 PolarHBondContact O-N 3.23Å; L45-T50 PolarHBondContact O-N 3.13Å; L45-T50 PolarHBondContact O-OG1 2.88Å; L45-M68 HydrophobicContact CD1-CE 4.06Å; L45-M68 HydrophobicContact CD1-CG 3.89Å; L45-K71 HydrophobicContact CB-CB 4.21Å; L45-K71 HydrophobicContact CB-CD 3.97Å; L45-K71 HydrophobicContact CD1-CB 4.18Å; L45-K71 HydrophobicContact CD2-CB 3.9Å; L45-K71 HydrophobicContact CG-CB 4.31Å; L45-I72 HydrophobicContact CD1-CG1 3.68Å; L45-L75 HydrophobicContact CD2-CB 4.17Å; L45-L75 HydrophobicContact CD2-CD1 3.77Å
46	D	87.1	Confident	73.7	Confident	67 Å²	67	80.6 Å²	80.6	36%	0.358	40%	0.403	S	S	.	.	H	α-helix	trans	-69.6	-32	175.4	-70.7	-18.2	0	0	0	111.9	Q42 A43 Y44 T50 K71	Q42-D46 WeakPolarHBondContact CG-OD2 3.36Å; Q42-D46 WeakPolarHBondContact O-CB 3.41Å; Q42-D46 VanDerWaalsContact O-CG 3.24Å; Q42-D46 PolarHBondContact O-N 3.35Å; A43-D46 PolarHBondContact O-N 3.24Å; Y44-D46 VanDerWaalsContact C-N 3.31Å; Y44-D46 PolarHBondContact O-N 2.8Å; D46-T50 VanDerWaalsContact CA-OG1 3.28Å; D46-T50 WeakPolarHBondContact CA-OG1 3.14Å; D46-T50 WeakPolarHBondContact O-CB 3.35Å; D46-T50 PolarHBondContact O-OG1 2.78Å; D46-K71 IonicContact OD1-NZ 3.65Å; D46-K71 PolarHBondContact OD1-NZ 2.94Å
47	K	85.4	Confident	71.4	Confident	64 Å²	64	83.9 Å²	83.9	28%	0.278	42%	0.419	S	S	.	.	H	α-helix	trans	-78.7	-48.5	176.4	-168.5	166.9	-175.2	171.1	0	113.1	A43 Y44 L45 D183 T188	A43-K47 WeakPolarHBondContact O-CB 3.35Å; A43-K47 PolarHBondContact O-N 3.45Å; Y44-K47 PolarHBondContact O-N 3.36Å; L45-K47 VanDerWaalsContact C-N 3.32Å; K47-D183 IonicContact NZ-OD2 3.67Å; K47-T188 PolarHBondContact NZ-OG1 2.81Å
48	Y	88.6	Confident	68.8	Low	7 Å²	7	85.8 Å²	85.8	3%	0.027	45%	0.447	C	S	.	.	H	α-helix	trans	-107.1	-12.6	-168	-51	-68.1	0	0	0	115.1	Y44 R99 C100 P103 D104 T188	Y44-Y48 AromaticContact CD1-CD2 3.79Å; Y44-Y48 HydrophobicContact CD1-CD2 3.79Å; Y44-Y48 AromaticContact CD2-CD2 3.75Å; Y44-Y48 HydrophobicContact CD2-CD2 3.75Å; Y44-Y48 AromaticContact CD2-CE2 3.64Å; Y44-Y48 HydrophobicContact CD2-CE2 3.64Å; Y44-Y48 AromaticContact CE1-CD2 3.8Å; Y44-Y48 HydrophobicContact CE1-CD2 3.8Å; Y44-Y48 AromaticContact CE2-CD2 3.79Å; Y44-Y48 HydrophobicContact CE2-CD2 3.79Å; Y44-Y48 AromaticContact CE2-CE2 3.73Å; Y44-Y48 HydrophobicContact CE2-CE2 3.73Å; Y44-Y48 AromaticContact CG-CD2 3.76Å; Y44-Y48 HydrophobicContact CG-CD2 3.76Å; Y44-Y48 HydrophobicContact CG-CE2 4.05Å; Y44-Y48 AromaticContact CZ-CD2 3.81Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.29Å; Y44-Y48 PolarHBondContact O-N 2.8Å; Y48-R99 HydrophobicContact CE2-CG 4.46Å; Y48-C100 WeakPolarHBondContact CE1-O 3.44Å; Y48-P103 WeakPolarHBondContact O-CB 3.27Å; Y48-D104 PolarHBondContact O-N 2.94Å; Y48-D104 VanDerWaalsContact O-N 3.1Å; Y48-T188 PolarHBondContact OH-OG1 3.01Å
49	Y	85.8	Confident	65.8	Low	6 Å²	6	89.8 Å²	89.8	2%	0.024	47%	0.469	C	S	.	.	S	Bend	trans	-129	25.6	-175	-67.7	-99.7	0	0	0	113.2	Y44 L45 E74 L75 D104 V105	Y44-Y49 HydrophobicContact CD1-CE2 4.49Å; Y44-Y49 HydrophobicContact CE1-CD2 4.29Å; Y44-Y49 AromaticContact CE1-CE2 3.85Å; Y44-Y49 HydrophobicContact CE1-CE2 3.85Å; L45-Y49 HydrophobicContact CD2-CD2 4.11Å; L45-Y49 HydrophobicContact CD2-CG 4.24Å; L45-Y49 CarbonylContact O-C 3.51Å; L45-Y49 VanDerWaalsContact O-CA 3.26Å; L45-Y49 WeakPolarHBondContact O-CA 3.11Å; L45-Y49 WeakPolarHBondContact O-CB 3Å; L45-Y49 PolarHBondContact O-N 3.23Å; Y49-E74 HydrophobicContact CD1-CB 3.89Å; Y49-E74 HydrophobicContact CE1-CB 4.11Å; Y49-L75 HydrophobicContact CD1-CB 4.43Å; Y49-L75 VanDerWaalsContact CE1-CA 3.43Å; Y49-L75 HydrophobicContact CE1-CB 3.89Å; Y49-L75 HydrophobicContact CE2-CB 4.05Å; Y49-L75 HydrophobicContact CE2-CD1 4.29Å; Y49-L75 HydrophobicContact CE2-CG 4.21Å; Y49-D104 HydrophobicContact CE1-CB 4.19Å; Y49-D104 HydrophobicContact CE2-CB 4.05Å; Y49-D104 WeakPolarHBondContact CE2-OD2 3.42Å; Y49-D104 VanDerWaalsContact CZ-OD2 3.23Å; Y49-D104 WeakPolarHBondContact OH-CB 3.21Å; Y49-D104 PolarHBondContact OH-OD2 3.36Å; Y49-V105 HydrophobicContact CD1-CB 4.32Å; Y49-V105 HydrophobicContact CD1-CG1 3.68Å; Y49-V105 HydrophobicContact CD1-CG2 3.61Å; Y49-V105 HydrophobicContact CE1-CG1 3.66Å; Y49-V105 HydrophobicContact CE1-CG2 4.3Å; Y49-V105 HydrophobicContact CG-CG2 4.03Å
50	T	75	Confident	62.9	Low	40 Å²	40	89.9 Å²	89.9	25%	0.245	48%	0.479	C	S	.	.			trans	-130.4	124	177.8	-51.5	0	0	0	0	110.6	L45 D46 K52 K71	L45-T50 PolarHBondContact O-N 3.13Å; L45-T50 PolarHBondContact O-OG1 2.88Å; D46-T50 VanDerWaalsContact CA-OG1 3.28Å; D46-T50 WeakPolarHBondContact CA-OG1 3.14Å; D46-T50 WeakPolarHBondContact O-CB 3.35Å; D46-T50 PolarHBondContact O-OG1 2.78Å; T50-K52 PolarHBondContact O-N 3.15Å; T50-K71 WeakPolarHBondContact OG1-CE 3.39Å; T50-K71 PolarHBondContact OG1-NZ 3.36Å
51	N	57.2	Low	60.2	Low	80 Å²	80	92.7 Å²	92.7	43%	0.428	50%	0.499	S	S	.	.			trans	-74.3	107.4	168.4	-64.3	-13.6	0	0	0	107.9	E53 N107	N51-E53 PolarHBondContact O-N 2.81Å; N51-N107 WeakPolarHBondContact ND2-CB 3.16Å
52	K	47.6	Very low	57.3	Low	156 Å²	156	97.1 Å²	97.1	68%	0.678	54%	0.536	S	S	*	.			trans	-78	93	153.4	-60.2	-179.2	-176.9	177.5	0	103.7	T50	T50-K52 PolarHBondContact O-N 3.15Å
53	E	38.5	Very low	55.3	Low	191 Å²	191	105.1 Å²	105.1	89%	0.893	56%	0.563	S	S	*	*				-156.4	149.3	84.3	-81.5	-175.2	162.8	0	0	113.6	N51	N51-E53 PolarHBondContact O-N 2.81Å
54	G	29.3	Very low	52.9	Low	66 Å²	66	104.3 Å²	104.3	68%	0.68	56%	0.561	S	S	*	*			trans	168.9	41.4	173.2	0	0	0	0	0	110.6	Q56	G54-Q56 PolarHBondContact O-N 3.26Å
55	H	29.8	Very low	50.8	Low	195 Å²	195	106.3 Å²	106.3	90%	0.903	59%	0.585	S	S	*	*			trans	-71.7	76.7	155.6	-107.2	81.6	0	0	0	106.6	I57	H55-I57 PolarHBondContact O-N 3.19Å
56	Q	26.5	Very low	49.2	Very low	168 Å²	168	113.3 Å²	113.3	79%	0.785	62%	0.623	S	S	*	*			trans	-74.3	115.7	147.6	-69.3	-138.9	-8.7	0	0	105.7	G54 G58	G54-Q56 PolarHBondContact O-N 3.26Å; Q56-G58 PolarHBondContact O-N 3Å
57	I	35.2	Very low	48.6	Very low	172 Å²	172	113 Å²	113	88%	0.882	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	106.4	163.5	-59.7	179.5	0	0	0	105.8	H55	H55-I57 PolarHBondContact O-N 3.19Å
58	G	32.2	Very low	48.5	Very low	76 Å²	76	111.1 Å²	111.1	78%	0.784	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	132.7	16.4	170.4	0	0	0	0	0	119.5	Q56	Q56-G58 PolarHBondContact O-N 3Å
59	E	26.5	Very low	48.6	Very low	176 Å²	176	113.6 Å²	113.6	82%	0.822	63%	0.634	S	S	*	*			trans	-123.2	114.9	168.4	-121.1	179.6	178	0	0	112.2	V61	E59-V61 PolarHBondContact O-N 3.18Å; E59-V61 VanDerWaalsContact O-N 3.08Å
60	M	29.8	Very low	48.8	Very low	190 Å²	190	119.8 Å²	119.8	94%	0.936	66%	0.657	S	S	*	*			trans	-54.9	113.9	174.5	-77.8	-178.4	173	0	0	109.6	A62	M60-A62 PolarHBondContact O-N 3.24Å
61	V	33.6	Very low	49.5	Very low	135 Å²	135	118.8 Å²	118.8	82%	0.818	65%	0.65	S	S	*	*			trans	-57.3	101	175.2	177.8	0	0	0	0	109.5	E59 R63	E59-V61 PolarHBondContact O-N 3.18Å; E59-V61 VanDerWaalsContact O-N 3.08Å; V61-R63 PolarHBondContact O-N 3.21Å
62	A	31	Very low	51.2	Low	94 Å²	94	115.3 Å²	115.3	78%	0.777	63%	0.631	S	S	*	*			trans	-66.4	101.5	167	0	0	0	0	0	108.5	M60 G64	M60-A62 PolarHBondContact O-N 3.24Å; A62-G64 PolarHBondContact O-N 3.43Å; A62-G64 VanDerWaalsContact O-N 3.09Å
63	R	49.2	Very low	53.3	Low	249 Å²	249	112.4 Å²	112.4	94%	0.94	62%	0.618	S	S	*	*			trans	-56.3	108.8	166.3	-73.1	178.1	165.8	179.4	-2.9	108.7	V61	V61-R63 PolarHBondContact O-N 3.21Å
64	G	39.3	Very low	55.8	Low	44 Å²	44	105.9 Å²	105.9	45%	0.454	59%	0.588	S	S	.	*			trans	-148.6	119.4	-177.3	0	0	0	0	0	113.9	A62 N66 S67	A62-G64 PolarHBondContact O-N 3.43Å; A62-G64 VanDerWaalsContact O-N 3.09Å; G64-N66 PolarHBondContact O-N 3.22Å; G64-S67 PolarHBondContact O-N 3Å
65	G	47.5	Very low	58.8	Low	55 Å²	55	102.8 Å²	102.8	57%	0.567	56%	0.555	S	S	*	*	H	α-helix	trans	-54.9	-12.6	174.5	0	0	0	0	0	115.2	S67 V69	G65-S67 VanDerWaalsContact C-N 3.31Å; G65-S67 PolarHBondContact O-N 2.78Å; G65-V69 WeakPolarHBondContact O-CG2 3.39Å; G65-V69 PolarHBondContact O-N 2.04Å
66	N	57.9	Low	61.9	Low	149 Å²	149	93.5 Å²	93.5	80%	0.797	51%	0.512	S	S	*	.	H	α-helix	trans	-65.5	-27.9	171.5	-77.6	-12.9	0	0	0	113.7	G64 R70	G64-N66 PolarHBondContact O-N 3.22Å; N66-R70 PolarHBondContact O-N 3.31Å
67	S	75.6	Confident	64.9	Low	60 Å²	60	88.3 Å²	88.3	42%	0.42	50%	0.499	S	S	.	.	H	α-helix	trans	-71.8	-42.9	178.4	-177.9	0	0	0	0	112.1	G64 G65 R70 K71	G64-S67 PolarHBondContact O-N 3Å; G65-S67 VanDerWaalsContact C-N 3.31Å; G65-S67 PolarHBondContact O-N 2.78Å; S67-R70 PolarHBondContact O-N 2.73Å; S67-K71 WeakPolarHBondContact O-CG 3.44Å; S67-K71 PolarHBondContact O-N 3.01Å
68	M	83.6	Confident	67.5	Low	24 Å²	24	81.2 Å²	81.2	12%	0.118	46%	0.461	C	S	.	.	H	α-helix	trans	-69.8	-43.8	-179	-171	179.6	-171.3	0	0	112.2	Y38 A41 Q42 L45 R70 K71 I72 L87	Y38-M68 HydrophobicContact CD2-CE 4.02Å; Y38-M68 HydrophobicContact CD2-SD 4.14Å; Y38-M68 HydrophobicContact CE1-SD 4.27Å; Y38-M68 HydrophobicContact CE2-CE 3.79Å; Y38-M68 HydrophobicContact CE2-SD 3.31Å; Y38-M68 WeakPolarHBondContact CE2-SD 3.02Å; Y38-M68 PolarHBondContact OH-SD 2.7Å; A41-M68 HydrophobicContact CB-CE 4.04Å; Q42-M68 HydrophobicContact CB-CE 4.18Å; L45-M68 HydrophobicContact CD1-CE 4.06Å; L45-M68 HydrophobicContact CD1-CG 3.89Å; M68-R70 PolarHBondContact O-N 3.17Å; M68-K71 PolarHBondContact O-N 2.98Å; M68-I72 HydrophobicContact CE-CD1 4.4Å; M68-I72 HydrophobicContact CG-CD1 3.95Å; M68-I72 HydrophobicContact CG-CG1 4.38Å; M68-I72 VanDerWaalsContact O-CG1 3.29Å; M68-I72 WeakPolarHBondContact O-CG1 3.14Å; M68-I72 PolarHBondContact O-N 3Å; M68-L87 HydrophobicContact CE-CD1 3.99Å
69	V	89.8	Confident	70.3	Confident	60 Å²	60	78.2 Å²	78.2	36%	0.364	43%	0.427	S	S	.	.	H	α-helix	trans	-58.7	-38.9	177.3	173.4	0	0	0	0	110.9	G65 I72 K73	G65-V69 WeakPolarHBondContact O-CG2 3.39Å; G65-V69 PolarHBondContact O-N 2.04Å; V69-I72 PolarHBondContact O-N 3.26Å; V69-K73 WeakPolarHBondContact O-CG 3.25Å; V69-K73 PolarHBondContact O-N 2.91Å
70	R	89.3	Confident	73.3	Confident	136 Å²	136	73.2 Å²	73.2	51%	0.513	42%	0.422	S	S	.	.	H	α-helix	trans	-61.9	-51.2	174.7	-174.3	179.3	67.6	96.8	-8.1	111.8	N66 S67 M68 I72 K73 E74	N66-R70 PolarHBondContact O-N 3.31Å; S67-R70 PolarHBondContact O-N 2.73Å; M68-R70 PolarHBondContact O-N 3.17Å; R70-I72 VanDerWaalsContact C-N 3.29Å; R70-I72 PolarHBondContact O-N 3.43Å; R70-K73 WeakPolarHBondContact O-CB 3.26Å; R70-K73 PolarHBondContact O-N 2.63Å; R70-E74 IonicContact CZ-OE1 3.31Å; R70-E74 IonicContact NH1-OE1 3.87Å; R70-E74 PolarHBondContact NH1-OE1 3.06Å; R70-E74 IonicContact NH1-OE2 2.6Å; R70-E74 PolarHBondContact O-N 3.39Å
71	K	89.8	Confident	76.3	Confident	19 Å²	19	66.2 Å²	66.2	8%	0.083	39%	0.389	C	S	.	.	H	α-helix	trans	-61.4	-36.1	178	-62.8	-178.4	-172.2	179.5	0	112.4	L45 D46 T50 S67 M68 K73 E74 L75	L45-K71 HydrophobicContact CB-CB 4.21Å; L45-K71 HydrophobicContact CB-CD 3.97Å; L45-K71 HydrophobicContact CD1-CB 4.18Å; L45-K71 HydrophobicContact CD2-CB 3.9Å; L45-K71 HydrophobicContact CG-CB 4.31Å; D46-K71 IonicContact OD1-NZ 3.65Å; D46-K71 PolarHBondContact OD1-NZ 2.94Å; T50-K71 WeakPolarHBondContact OG1-CE 3.39Å; T50-K71 PolarHBondContact OG1-NZ 3.36Å; S67-K71 WeakPolarHBondContact O-CG 3.44Å; S67-K71 PolarHBondContact O-N 3.01Å; M68-K71 PolarHBondContact O-N 2.98Å; K71-K73 VanDerWaalsContact C-N 3.34Å; K71-E74 PolarHBondContact O-N 2.91Å; K71-L75 WeakPolarHBondContact O-CB 3.45Å; K71-L75 PolarHBondContact O-N 3.03Å
72	I	92.8	Very high	79.1	Confident	7 Å²	7	70 Å²	70	4%	0.036	39%	0.388	C	S	.	.	H	α-helix	trans	-62.9	-42.2	173.8	-66.7	164.4	0	0	0	110.6	L45 M68 V69 R70 E74 L75 Q76 L87 T91	L45-I72 HydrophobicContact CD1-CG1 3.68Å; M68-I72 HydrophobicContact CE-CD1 4.4Å; M68-I72 HydrophobicContact CG-CD1 3.95Å; M68-I72 HydrophobicContact CG-CG1 4.38Å; M68-I72 VanDerWaalsContact O-CG1 3.29Å; M68-I72 WeakPolarHBondContact O-CG1 3.14Å; M68-I72 PolarHBondContact O-N 3Å; V69-I72 PolarHBondContact O-N 3.26Å; R70-I72 VanDerWaalsContact C-N 3.29Å; R70-I72 PolarHBondContact O-N 3.43Å; I72-E74 VanDerWaalsContact C-N 3.33Å; I72-E74 PolarHBondContact O-N 2.85Å; I72-L75 PolarHBondContact O-N 3.31Å; I72-Q76 HydrophobicContact CG2-CG 4.24Å; I72-Q76 WeakPolarHBondContact O-CB 3.25Å; I72-Q76 VanDerWaalsContact O-CG 3.24Å; I72-Q76 WeakPolarHBondContact O-CG 3.35Å; I72-Q76 PolarHBondContact O-N 3.05Å; I72-L87 HydrophobicContact CD1-CD2 3.73Å; I72-L87 HydrophobicContact CD1-CG 3.82Å; I72-L87 HydrophobicContact CG1-CD2 3.99Å; I72-T91 HydrophobicContact CG2-CG2 4.38Å
73	K	91.9	Very high	82.2	Confident	95 Å²	95	69.2 Å²	69.2	41%	0.413	37%	0.374	S	S	.	.	H	α-helix	trans	-63.6	-39.5	176.5	-72.1	179.6	177.9	-177.8	0	112	V69 R70 K71 Q76 A77 V83	V69-K73 WeakPolarHBondContact O-CG 3.25Å; V69-K73 PolarHBondContact O-N 2.91Å; R70-K73 WeakPolarHBondContact O-CB 3.26Å; R70-K73 PolarHBondContact O-N 2.63Å; K71-K73 VanDerWaalsContact C-N 3.34Å; K73-Q76 PolarHBondContact O-N 2.79Å; K73-A77 WeakPolarHBondContact O-CB 3.43Å; K73-A77 PolarHBondContact O-N 2.67Å; K73-V83 HydrophobicContact CB-CG1 3.67Å; K73-V83 HydrophobicContact CD-CG1 4.21Å; K73-V83 HydrophobicContact CG-CG1 3.68Å
74	E	91.3	Very high	84.3	Confident	54 Å²	54	59.5 Å²	59.5	25%	0.252	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-47.2	175.2	-71.5	167	-166.6	0	0	111.4	Y49 R70 K71 I72 Q76 A77 F78 V105	Y49-E74 HydrophobicContact CD1-CB 3.89Å; Y49-E74 HydrophobicContact CE1-CB 4.11Å; R70-E74 IonicContact CZ-OE1 3.31Å; R70-E74 IonicContact NH1-OE1 3.87Å; R70-E74 PolarHBondContact NH1-OE1 3.06Å; R70-E74 IonicContact NH1-OE2 2.6Å; R70-E74 PolarHBondContact O-N 3.39Å; K71-E74 PolarHBondContact O-N 2.91Å; I72-E74 VanDerWaalsContact C-N 3.33Å; I72-E74 PolarHBondContact O-N 2.85Å; E74-Q76 PolarHBondContact O-N 3.22Å; E74-A77 PolarHBondContact O-N 2.84Å; E74-F78 WeakPolarHBondContact O-CB 3.5Å; E74-F78 PolarHBondContact O-N 2.92Å; E74-V105 HydrophobicContact CB-CG1 4.46Å
75	L	93.3	Very high	86.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-57.3	-50.2	173.4	178	165.1	0	0	0	111.5	Y44 L45 Y49 K71 I72 A77 F78 F79 L81 T91 I95	Y44-L75 HydrophobicContact CD1-CD1 3.71Å; Y44-L75 HydrophobicContact CE1-CD1 3.42Å; Y44-L75 VanDerWaalsContact CE1-CD1 3.42Å; Y44-L75 HydrophobicContact CE1-CG 4.34Å; L45-L75 HydrophobicContact CD2-CB 4.17Å; L45-L75 HydrophobicContact CD2-CD1 3.77Å; Y49-L75 HydrophobicContact CD1-CB 4.43Å; Y49-L75 VanDerWaalsContact CE1-CA 3.43Å; Y49-L75 HydrophobicContact CE1-CB 3.89Å; Y49-L75 HydrophobicContact CE2-CB 4.05Å; Y49-L75 HydrophobicContact CE2-CD1 4.29Å; Y49-L75 HydrophobicContact CE2-CG 4.21Å; K71-L75 WeakPolarHBondContact O-CB 3.45Å; K71-L75 PolarHBondContact O-N 3.03Å; I72-L75 PolarHBondContact O-N 3.31Å; L75-A77 VanDerWaalsContact C-N 3.29Å; L75-A77 PolarHBondContact O-N 3.34Å; L75-F78 PolarHBondContact O-N 3.33Å; L75-F79 HydrophobicContact CD2-CD2 4.14Å; L75-F79 HydrophobicContact CG-CD2 4.08Å; L75-F79 HydrophobicContact CG-CE2 4.42Å; L75-F79 WeakPolarHBondContact O-CD2 3.32Å; L75-F79 PolarHBondContact O-N 2.94Å; L75-L81 HydrophobicContact CD2-CD1 4.43Å; L75-T91 HydrophobicContact CD2-CG2 3.97Å; L75-I95 HydrophobicContact CD1-CD1 4.18Å; L75-I95 HydrophobicContact CD1-CG1 3.91Å
76	Q	94.1	Very high	89	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-42.2	-179.9	-74.8	171.4	-21.9	0	0	111.5	I72 K73 E74 G80 L81 R82 V83 T84 K86 T91	I72-Q76 HydrophobicContact CG2-CG 4.24Å; I72-Q76 WeakPolarHBondContact O-CB 3.25Å; I72-Q76 VanDerWaalsContact O-CG 3.24Å; I72-Q76 WeakPolarHBondContact O-CG 3.35Å; I72-Q76 PolarHBondContact O-N 3.05Å; K73-Q76 PolarHBondContact O-N 2.79Å; E74-Q76 PolarHBondContact O-N 3.22Å; Q76-G80 PolarHBondContact O-N 2.82Å; Q76-L81 HydrophobicContact CB-CB 4.03Å; Q76-L81 HydrophobicContact CG-CB 4.18Å; Q76-L81 HydrophobicContact CG-CD1 4.27Å; Q76-L81 PolarHBondContact O-N 3.1Å; Q76-R82 PolarHBondContact OE1-O 2.83Å; Q76-V83 HydrophobicContact CB-CG2 4.37Å; Q76-T84 PolarHBondContact NE2-OG1 2.83Å; Q76-K86 PolarHBondContact NE2-O 2.84Å; Q76-T91 HydrophobicContact CG-CG2 4.49Å; Q76-T91 PolarHBondContact NE2-OG1 2.91Å
77	A	89.6	Confident	90.6	Very high	60 Å²	60	56.3 Å²	56.3	50%	0.496	30%	0.296	S	S	.	.	H	α-helix	trans	-63.8	-45.3	176.5	0	0	0	0	0	111.8	K73 E74 L75 F79 G80 V83	K73-A77 WeakPolarHBondContact O-CB 3.43Å; K73-A77 PolarHBondContact O-N 2.67Å; E74-A77 PolarHBondContact O-N 2.84Å; L75-A77 VanDerWaalsContact C-N 3.29Å; L75-A77 PolarHBondContact O-N 3.34Å; A77-F79 PolarHBondContact O-N 3.39Å; A77-G80 PolarHBondContact O-N 3.44Å; A77-V83 HydrophobicContact CB-CG2 4.07Å
78	F	90.3	Very high	91.3	Very high	23 Å²	23	55.7 Å²	55.7	10%	0.101	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-46.3	179	-174.7	-79.7	0	0	0	111.9	E74 L75 G80 D104 H236 S237 T238 P246	E74-F78 WeakPolarHBondContact O-CB 3.5Å; E74-F78 PolarHBondContact O-N 2.92Å; L75-F78 PolarHBondContact O-N 3.33Å; F78-G80 VanDerWaalsContact C-N 3.26Å; F78-G80 PolarHBondContact O-N 3.47Å; F78-D104 HydrophobicContact CD1-CB 4.43Å; F78-D104 HydrophobicContact CD2-CB 3.92Å; F78-D104 HydrophobicContact CE1-CB 4.42Å; F78-D104 HydrophobicContact CE2-CB 3.87Å; F78-D104 HydrophobicContact CG-CB 4.22Å; F78-D104 HydrophobicContact CZ-CB 4.15Å; F78-H236 HydrophobicContact CE2-CB 4.43Å; F78-H236 HydrophobicContact CZ-CB 3.78Å; F78-S237 WeakPolarHBondContact CZ-O 3.14Å; F78-T238 HydrophobicContact CD1-CG2 4.45Å; F78-T238 HydrophobicContact CD2-CG2 3.75Å; F78-T238 HydrophobicContact CE1-CG2 4.36Å; F78-T238 HydrophobicContact CE2-CG2 3.7Å; F78-T238 HydrophobicContact CG-CG2 4.13Å; F78-T238 HydrophobicContact CZ-CG2 4Å; F78-P246 HydrophobicContact CD1-CG 4.5Å; F78-P246 HydrophobicContact CE1-CG 3.44Å; F78-P246 VanDerWaalsContact CE1-CG 3.44Å; F78-P246 HydrophobicContact CZ-CG 3.8Å
79	F	89.8	Confident	91.8	Very high	13 Å²	13	60.2 Å²	60.2	6%	0.057	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	7.3	-178.8	-77.3	-86.5	0	0	0	113.9	L75 A77 L81 V94 Y245 P246 T247	L75-F79 HydrophobicContact CD2-CD2 4.14Å; L75-F79 HydrophobicContact CG-CD2 4.08Å; L75-F79 HydrophobicContact CG-CE2 4.42Å; L75-F79 WeakPolarHBondContact O-CD2 3.32Å; L75-F79 PolarHBondContact O-N 2.94Å; A77-F79 PolarHBondContact O-N 3.39Å; F79-L81 HydrophobicContact CB-CD1 4.39Å; F79-L81 HydrophobicContact CB-CG 4.04Å; F79-L81 PolarHBondContact O-N 2.83Å; F79-V94 HydrophobicContact CD1-CG1 3.5Å; F79-V94 HydrophobicContact CD1-CG2 4.21Å; F79-V94 HydrophobicContact CD2-CG1 3.76Å; F79-V94 HydrophobicContact CE1-CG1 3.57Å; F79-V94 HydrophobicContact CE2-CG1 3.76Å; F79-V94 HydrophobicContact CG-CG1 3.65Å; F79-V94 HydrophobicContact CG-CG2 4.4Å; F79-V94 HydrophobicContact CZ-CG1 3.69Å; F79-Y245 HydrophobicContact CD1-CE1 4.24Å; F79-Y245 AromaticContact CD1-CZ 3.73Å; F79-Y245 WeakPolarHBondContact CD1-OH 3.27Å; F79-Y245 HydrophobicContact CE1-CE1 4.04Å; F79-Y245 AromaticContact CE1-CZ 3.9Å; F79-P246 HydrophobicContact CZ-CB 4.36Å; F79-P246 HydrophobicContact CZ-CG 4.16Å; F79-T247 HydrophobicContact CE1-CG2 3.68Å; F79-T247 HydrophobicContact CZ-CG2 4.12Å
80	G	90.9	Very high	91.9	Very high	71 Å²	71	61 Å²	61	73%	0.732	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	22.2	-179.9	0	0	0	0	0	114.5	Q76 A77 F78	Q76-G80 PolarHBondContact O-N 2.82Å; A77-G80 PolarHBondContact O-N 3.44Å; F78-G80 VanDerWaalsContact C-N 3.26Å; F78-G80 PolarHBondContact O-N 3.47Å
81	L	92.1	Very high	92.1	Very high	43 Å²	43	54.6 Å²	54.6	23%	0.225	29%	0.289	C	S	.	.			trans	-80.1	165.2	176.2	-55.3	-178.8	0	0	0	111.1	L75 Q76 F79 V83 V94	L75-L81 HydrophobicContact CD2-CD1 4.43Å; Q76-L81 HydrophobicContact CB-CB 4.03Å; Q76-L81 HydrophobicContact CG-CB 4.18Å; Q76-L81 HydrophobicContact CG-CD1 4.27Å; Q76-L81 PolarHBondContact O-N 3.1Å; F79-L81 HydrophobicContact CB-CD1 4.39Å; F79-L81 HydrophobicContact CB-CG 4.04Å; F79-L81 PolarHBondContact O-N 2.83Å; L81-V83 PolarHBondContact O-N 3.43Å; L81-V83 VanDerWaalsContact O-N 3.16Å; L81-V94 HydrophobicContact CD1-CG2 4.11Å
82	R	93.3	Very high	92.4	Very high	214 Å²	214	53.8 Å²	53.8	81%	0.808	29%	0.286	S	S	*	.			trans	-63.7	119.2	170	-171	179.9	-177.9	-179	1.8	109.4	Q76 T84	Q76-R82 PolarHBondContact OE1-O 2.83Å; R82-T84 HydrophobicContact CB-CG2 4.34Å; R82-T84 HydrophobicContact CG-CG2 3.91Å; R82-T84 PolarHBondContact O-N 3.08Å
83	V	95.1	Very high	92.4	Very high	78 Å²	78	56.9 Å²	56.9	47%	0.473	30%	0.303	S	S	.	.			trans	-74.7	91.5	-178.7	-174.2	0	0	0	0	110.3	K73 Q76 A77 L81	K73-V83 HydrophobicContact CB-CG1 3.67Å; K73-V83 HydrophobicContact CD-CG1 4.21Å; K73-V83 HydrophobicContact CG-CG1 3.68Å; Q76-V83 HydrophobicContact CB-CG2 4.37Å; A77-V83 HydrophobicContact CB-CG2 4.07Å; L81-V83 PolarHBondContact O-N 3.43Å; L81-V83 VanDerWaalsContact O-N 3.16Å
84	T	94.1	Very high	92.5	Very high	45 Å²	45	53 Å²	53	28%	0.276	29%	0.286	S	S	.	.			trans	-107.2	-23.2	-179.4	64.1	0	0	0	0	112.7	Q76 R82 K86 D88	Q76-T84 PolarHBondContact NE2-OG1 2.83Å; R82-T84 HydrophobicContact CB-CG2 4.34Å; R82-T84 HydrophobicContact CG-CG2 3.91Å; R82-T84 PolarHBondContact O-N 3.08Å; T84-K86 PolarHBondContact O-N 3.18Å; T84-K86 PolarHBondContact OG1-N 3.5Å; T84-D88 PolarHBondContact OG1-OD2 2.96Å
85	G	91.3	Very high	92.6	Very high	6 Å²	6	50.8 Å²	50.8	6%	0.062	28%	0.277	C	S	.	.	S	Bend	trans	69.2	12	-169.5	0	0	0	0	0	113.9
86	K	92.9	Very high	92.6	Very high	150 Å²	150	55.7 Å²	55.7	65%	0.652	30%	0.298	S	S	*	.	S	Bend	trans	-108.4	145.4	-179.9	-60.5	-176.7	-178.8	-178.4	0	110.4	Q76 T84 D88	Q76-K86 PolarHBondContact NE2-O 2.84Å; T84-K86 PolarHBondContact O-N 3.18Å; T84-K86 PolarHBondContact OG1-N 3.5Å; K86-D88 PolarHBondContact O-N 3.38Å
87	L	91.6	Very high	92.7	Very high	25 Å²	25	60.7 Å²	60.7	13%	0.131	32%	0.32	C	S	.	.			trans	-76.7	67.7	169.8	-65.4	177.5	0	0	0	110.6	Y38 A41 M68 I72 T91 M92 I95	Y38-L87 HydrophobicContact CD2-CD1 4.29Å; A41-L87 HydrophobicContact CB-CD1 3.65Å; A41-L87 HydrophobicContact CB-CD2 3.59Å; A41-L87 HydrophobicContact CB-CG 4.28Å; M68-L87 HydrophobicContact CE-CD1 3.99Å; I72-L87 HydrophobicContact CD1-CD2 3.73Å; I72-L87 HydrophobicContact CD1-CG 3.82Å; I72-L87 HydrophobicContact CG1-CD2 3.99Å; L87-T91 HydrophobicContact CD2-CG2 4.12Å; L87-M92 HydrophobicContact CB-SD 4.28Å; L87-M92 HydrophobicContact CD2-SD 4.13Å; L87-I95 HydrophobicContact CD2-CD1 4.13Å
88	D	91.5	Very high	93	Very high	46 Å²	46	58.9 Å²	58.9	25%	0.246	30%	0.303	C	S	.	.			trans	-74	169.5	171.4	56.2	41.5	0	0	0	112	T84 K86 T90 T91 M92	T84-D88 PolarHBondContact OG1-OD2 2.96Å; K86-D88 PolarHBondContact O-N 3.38Å; D88-T90 VanDerWaalsContact C-N 3.28Å; D88-T90 PolarHBondContact O-N 2.9Å; D88-T90 PolarHBondContact OD1-N 3.26Å; D88-T90 PolarHBondContact OD1-OG1 2.81Å; D88-T91 WeakPolarHBondContact O-CB 3.21Å; D88-T91 PolarHBondContact O-N 3.11Å; D88-T91 VanDerWaalsContact O-N 3.16Å; D88-T91 VanDerWaalsContact OD1-CB 3.28Å; D88-T91 WeakPolarHBondContact OD1-CB 3.29Å; D88-T91 PolarHBondContact OD1-N 2.92Å; D88-T91 PolarHBondContact OD1-OG1 2.78Å; D88-M92 PolarHBondContact O-N 2.97Å
89	Q	92.6	Very high	93.3	Very high	120 Å²	120	58 Å²	58	56%	0.561	30%	0.299	S	S	*	.	H	α-helix	trans	-57.3	-43.4	-176.7	-174.7	61.2	39.4	0	0	111.7	T91 M92 D93	Q89-T91 VanDerWaalsContact C-N 3.32Å; Q89-T91 PolarHBondContact O-N 2.74Å; Q89-M92 PolarHBondContact O-N 2.84Å; Q89-M92 VanDerWaalsContact O-N 3.16Å; Q89-D93 PolarHBondContact NE2-OD1 3.46Å; Q89-D93 PolarHBondContact O-N 2.86Å
90	T	93.6	Very high	93.7	Very high	77 Å²	77	57.6 Å²	57.6	47%	0.472	30%	0.298	S	S	.	.	H	α-helix	trans	-61.7	-38.3	178.6	40.7	0	0	0	0	112.9	D88 V94	D88-T90 VanDerWaalsContact C-N 3.28Å; D88-T90 PolarHBondContact O-N 2.9Å; D88-T90 PolarHBondContact OD1-N 3.26Å; D88-T90 PolarHBondContact OD1-OG1 2.81Å; T90-V94 PolarHBondContact O-N 2.6Å
91	T	93.5	Very high	93.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-43.9	174.3	-57.2	0	0	0	0	110.9	I72 L75 Q76 L87 D88 Q89 D93 V94 I95	I72-T91 HydrophobicContact CG2-CG2 4.38Å; L75-T91 HydrophobicContact CD2-CG2 3.97Å; Q76-T91 HydrophobicContact CG-CG2 4.49Å; Q76-T91 PolarHBondContact NE2-OG1 2.91Å; L87-T91 HydrophobicContact CD2-CG2 4.12Å; D88-T91 WeakPolarHBondContact O-CB 3.21Å; D88-T91 PolarHBondContact O-N 3.11Å; D88-T91 VanDerWaalsContact O-N 3.16Å; D88-T91 VanDerWaalsContact OD1-CB 3.28Å; D88-T91 WeakPolarHBondContact OD1-CB 3.29Å; D88-T91 PolarHBondContact OD1-N 2.92Å; D88-T91 PolarHBondContact OD1-OG1 2.78Å; Q89-T91 VanDerWaalsContact C-N 3.32Å; Q89-T91 PolarHBondContact O-N 2.74Å; T91-D93 VanDerWaalsContact C-N 3.33Å; T91-D93 PolarHBondContact O-N 3.31Å; T91-V94 PolarHBondContact O-N 2.97Å; T91-I95 HydrophobicContact CG2-CD1 3.99Å; T91-I95 WeakPolarHBondContact O-CG1 3.31Å; T91-I95 PolarHBondContact O-N 3.22Å; T91-I95 VanDerWaalsContact O-N 3.09Å
92	M	95.3	Very high	93.6	Very high	3 Å²	3	54 Å²	54	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-67.9	-31.9	178.3	-69.2	-55.1	-49.3	0	0	113.2	N37 L40 A41 L87 D88 Q89 V94 I95 K96	N37-M92 HydrophobicContact CB-CE 3.77Å; N37-M92 HydrophobicContact CB-SD 4.14Å; L40-M92 HydrophobicContact CD2-CE 4.14Å; A41-M92 HydrophobicContact CB-SD 4.23Å; L87-M92 HydrophobicContact CB-SD 4.28Å; L87-M92 HydrophobicContact CD2-SD 4.13Å; D88-M92 PolarHBondContact O-N 2.97Å; Q89-M92 PolarHBondContact O-N 2.84Å; Q89-M92 VanDerWaalsContact O-N 3.16Å; M92-V94 VanDerWaalsContact C-N 3.27Å; M92-V94 PolarHBondContact O-N 2.76Å; M92-I95 HydrophobicContact CE-CB 4.45Å; M92-I95 HydrophobicContact CE-CG2 4.17Å; M92-I95 PolarHBondContact O-N 3.42Å; M92-I95 HydrophobicContact SD-CD1 3.98Å; M92-K96 WeakPolarHBondContact O-CB 3.35Å; M92-K96 VanDerWaalsContact O-CG 3.27Å; M92-K96 WeakPolarHBondContact O-CG 3.3Å; M92-K96 PolarHBondContact O-N 2.99Å
93	D	93.1	Very high	93.2	Very high	72 Å²	72	45 Å²	45	39%	0.385	23%	0.234	S	C	.	.	H	α-helix	trans	-65.6	-31.6	175.6	-68.5	-20.3	0	0	0	111.7	Q89 T91 K97	Q89-D93 PolarHBondContact NE2-OD1 3.46Å; Q89-D93 PolarHBondContact O-N 2.86Å; T91-D93 VanDerWaalsContact C-N 3.33Å; T91-D93 PolarHBondContact O-N 3.31Å; D93-K97 WeakPolarHBondContact O-CG 3.02Å
94	V	93.4	Very high	92.5	Very high	12 Å²	12	41.9 Å²	41.9	7%	0.073	22%	0.215	C	C	.	.	H	α-helix	trans	-72.7	-48.6	171.4	171.2	0	0	0	0	111	F79 L81 T90 T91 M92 K96 K97	F79-V94 HydrophobicContact CD1-CG1 3.5Å; F79-V94 HydrophobicContact CD1-CG2 4.21Å; F79-V94 HydrophobicContact CD2-CG1 3.76Å; F79-V94 HydrophobicContact CE1-CG1 3.57Å; F79-V94 HydrophobicContact CE2-CG1 3.76Å; F79-V94 HydrophobicContact CG-CG1 3.65Å; F79-V94 HydrophobicContact CG-CG2 4.4Å; F79-V94 HydrophobicContact CZ-CG1 3.69Å; L81-V94 HydrophobicContact CD1-CG2 4.11Å; T90-V94 PolarHBondContact O-N 2.6Å; T91-V94 PolarHBondContact O-N 2.97Å; M92-V94 VanDerWaalsContact C-N 3.27Å; M92-V94 PolarHBondContact O-N 2.76Å; V94-K96 PolarHBondContact O-N 2.9Å; V94-K96 VanDerWaalsContact O-N 3.15Å; V94-K97 WeakPolarHBondContact O-CB 3.13Å; V94-K97 PolarHBondContact O-N 3.08Å
95	I	93.3	Very high	91.3	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.046	21%	0.213	C	C	.	.	H	α-helix	trans	-57.8	-32.1	-178	-72.6	168.7	0	0	0	112.3	L40 A41 Y44 L75 L87 T91 M92	L40-I95 HydrophobicContact CD2-CG2 4.11Å; L40-I95 HydrophobicContact CG-CG2 3.84Å; A41-I95 HydrophobicContact CB-CD1 3.76Å; Y44-I95 HydrophobicContact CD1-CG1 4.07Å; Y44-I95 HydrophobicContact CD2-CB 4.2Å; Y44-I95 HydrophobicContact CD2-CG1 4.27Å; Y44-I95 HydrophobicContact CD2-CG2 3.89Å; Y44-I95 HydrophobicContact CE1-CG1 4.34Å; Y44-I95 HydrophobicContact CE2-CB 4.49Å; Y44-I95 HydrophobicContact CG-CB 4.38Å; Y44-I95 HydrophobicContact CG-CG1 4.03Å; Y44-I95 HydrophobicContact CG-CG2 4.01Å; L75-I95 HydrophobicContact CD1-CD1 4.18Å; L75-I95 HydrophobicContact CD1-CG1 3.91Å; L87-I95 HydrophobicContact CD2-CD1 4.13Å; T91-I95 HydrophobicContact CG2-CD1 3.99Å; T91-I95 WeakPolarHBondContact O-CG1 3.31Å; T91-I95 PolarHBondContact O-N 3.22Å; T91-I95 VanDerWaalsContact O-N 3.09Å; M92-I95 HydrophobicContact CE-CB 4.45Å; M92-I95 HydrophobicContact CE-CG2 4.17Å; M92-I95 PolarHBondContact O-N 3.42Å; M92-I95 HydrophobicContact SD-CD1 3.98Å
96	K	93.8	Very high	89.3	Confident	103 Å²	103	44.3 Å²	44.3	45%	0.448	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.1	-178.9	-70.7	171.2	-178.1	177	0	114.2	N37 L40 M92 V94	N37-K96 PolarHBondContact OD1-NZ 3.13Å; L40-K96 HydrophobicContact CD2-CG 3.76Å; M92-K96 WeakPolarHBondContact O-CB 3.35Å; M92-K96 VanDerWaalsContact O-CG 3.27Å; M92-K96 WeakPolarHBondContact O-CG 3.3Å; M92-K96 PolarHBondContact O-N 2.99Å; V94-K96 PolarHBondContact O-N 2.9Å; V94-K96 VanDerWaalsContact O-N 3.15Å
97	K	94.8	Very high	86.7	Confident	104 Å²	104	43.8 Å²	43.8	45%	0.452	24%	0.239	S	C	.	.	S	Bend	trans	-78.1	136.5	179.4	-80.3	170.6	-174	-177.9	0	110.3	D93 V94 T247	D93-K97 WeakPolarHBondContact O-CG 3.02Å; V94-K97 WeakPolarHBondContact O-CB 3.13Å; V94-K97 PolarHBondContact O-N 3.08Å; K97-T247 HydrophobicContact CB-CG2 3.92Å; K97-T247 HydrophobicContact CD-CG2 4.25Å
98	P	97.1	Very high	84.3	Confident	23 Å²	23	45.5 Å²	45.5	15%	0.149	24%	0.244	C	C	.	.			trans	-56.8	141.9	168.4	-16.7	26.9	0	0	0	110.4	R186 G187 L189 F218 Y248	P98-R186 WeakPolarHBondContact CB-O 3.37Å; P98-R186 WeakPolarHBondContact CG-O 3.25Å; P98-G187 WeakPolarHBondContact CA-O 3.39Å; P98-L189 HydrophobicContact CB-CD1 4.1Å; P98-L189 HydrophobicContact CB-CD2 3.96Å; P98-L189 HydrophobicContact CB-CG 4.1Å; P98-F218 HydrophobicContact CB-CE1 3.57Å; P98-F218 HydrophobicContact CB-CZ 3.67Å; P98-F218 HydrophobicContact CG-CE1 3.71Å; P98-F218 HydrophobicContact CG-CZ 3.59Å; P98-Y248 WeakPolarHBondContact O-CB 3.32Å; P98-Y248 PolarHBondContact O-N 2.9Å
99	R	97.3	Very high	81.5	Confident	3 Å²	3	54.7 Å²	54.7	1%	0.011	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-154.8	171.6	-171.6	62.1	161.9	-70.1	159.5	4.4	113.3	Y44 Y48 V102 D104 G187 L189 H236 P246 T247	Y44-R99 PolarHBondContact OH-NH1 2.91Å; Y48-R99 HydrophobicContact CE2-CG 4.46Å; R99-V102 PolarHBondContact NH2-O 2.84Å; R99-D104 IonicContact CZ-OD1 3.1Å; R99-D104 IonicContact CZ-OD2 2.78Å; R99-D104 VanDerWaalsContact NH1-CG 3.33Å; R99-D104 IonicContact NH1-OD1 2.67Å; R99-D104 PolarHBondContact NH1-OD1 2.81Å; R99-D104 IonicContact NH1-OD2 3.94Å; R99-D104 PolarHBondContact NH1-OD2 3.01Å; R99-D104 IonicContact NH2-OD1 3.46Å; R99-D104 PolarHBondContact NH2-OD1 2.74Å; R99-D104 IonicContact NH2-OD2 3.4Å; R99-G187 PolarHBondContact N-O 3.13Å; R99-L189 PolarHBondContact O-N 3.42Å; R99-H236 PolarHBondContact NH2-CE1 3.41Å; R99-P246 CarbonylContact C-O 3.55Å; R99-P246 VanDerWaalsContact CA-O 3.23Å; R99-P246 WeakPolarHBondContact CA-O 3.38Å; R99-P246 WeakPolarHBondContact CB-O 3.32Å; R99-T247 HydrophobicContact CB-CG2 4.41Å
100	C	97.3	Very high	79.1	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.034	27%	0.272	C	S	.	.			trans	-64.2	146.7	166.7	177.6	0	0	0	0	111.5	Y48 V102 H226 E227 H236 P246	Y48-C100 WeakPolarHBondContact CE1-O 3.44Å; C100-V102 VanDerWaalsContact C-N 3.35Å; C100-V102 PolarHBondContact SG-N 2.88Å; C100-H226 WeakPolarHBondContact CB-NE2 3.49Å; C100-E227 PolarHBondContact SG-OE1 2.86Å; C100-E227 PolarHBondContact SG-OE2 3.47Å; C100-H236 WeakPolarHBondContact CB-NE2 3.47Å; C100-P246 PolarHBondContact N-O 3.43Å
101	G	92.9	Very high	76.7	Confident	7 Å²	7	52.9 Å²	52.9	7%	0.072	26%	0.263	C	S	.	.	S	Bend	trans	-76.7	-16	178.4	0	0	0	0	0	114.8	A190	G101-A190 WeakPolarHBondContact CA-O 3.43Å; G101-A190 PolarHBondContact N-O 2.86Å
102	V	88.4	Confident	74	Confident	31 Å²	31	58.3 Å²	58.3	19%	0.188	30%	0.298	C	S	.	.	S	Bend	trans	-69.3	139	179	179.8	0	0	0	0	110.1	R99 C100 H191 H236	R99-V102 PolarHBondContact NH2-O 2.84Å; C100-V102 VanDerWaalsContact C-N 3.35Å; C100-V102 PolarHBondContact SG-N 2.88Å; V102-H191 HydrophobicContact CG2-CB 4.15Å; V102-H236 PolarHBondContact O-CE1 3.49Å
103	P	85.3	Confident	71.9	Confident	25 Å²	25	61.6 Å²	61.6	16%	0.162	33%	0.333	C	S	.	.			trans	-70.7	152	177.9	-23.6	37.3	0	0	0	114.3	Y48 Y108	Y48-P103 WeakPolarHBondContact O-CB 3.27Å; P103-Y108 HydrophobicContact CB-CE2 3.7Å; P103-Y108 WeakPolarHBondContact CB-OH 3.48Å; P103-Y108 HydrophobicContact CG-CE2 4.15Å; P103-Y108 WeakPolarHBondContact CG-OH 3.39Å
104	D	79.9	Confident	70.3	Confident	14 Å²	14	64.7 Å²	64.7	8%	0.075	35%	0.345	C	S	.	.	S	Bend	trans	-86.9	-37.6	-172.3	-65.7	-25.2	0	0	0	113.6	Y48 Y49 F78 R99 A106 H236 P246	Y48-D104 PolarHBondContact O-N 2.94Å; Y48-D104 VanDerWaalsContact O-N 3.1Å; Y49-D104 HydrophobicContact CE1-CB 4.19Å; Y49-D104 HydrophobicContact CE2-CB 4.05Å; Y49-D104 WeakPolarHBondContact CE2-OD2 3.42Å; Y49-D104 VanDerWaalsContact CZ-OD2 3.23Å; Y49-D104 WeakPolarHBondContact OH-CB 3.21Å; Y49-D104 PolarHBondContact OH-OD2 3.36Å; F78-D104 HydrophobicContact CD1-CB 4.43Å; F78-D104 HydrophobicContact CD2-CB 3.92Å; F78-D104 HydrophobicContact CE1-CB 4.42Å; F78-D104 HydrophobicContact CE2-CB 3.87Å; F78-D104 HydrophobicContact CG-CB 4.22Å; F78-D104 HydrophobicContact CZ-CB 4.15Å; R99-D104 IonicContact CZ-OD1 3.1Å; R99-D104 IonicContact CZ-OD2 2.78Å; R99-D104 VanDerWaalsContact NH1-CG 3.33Å; R99-D104 IonicContact NH1-OD1 2.67Å; R99-D104 PolarHBondContact NH1-OD1 2.81Å; R99-D104 IonicContact NH1-OD2 3.94Å; R99-D104 PolarHBondContact NH1-OD2 3.01Å; R99-D104 IonicContact NH2-OD1 3.46Å; R99-D104 PolarHBondContact NH2-OD1 2.74Å; R99-D104 IonicContact NH2-OD2 3.4Å; D104-A106 PolarHBondContact O-N 2.85Å; D104-H236 IonicContact OD1-CE1 3.94Å; D104-H236 IonicContact OD1-CG 2.74Å; D104-H236 IonicContact OD1-ND1 3.81Å; D104-H236 PolarHBondContact OD1-ND1 2.93Å; D104-P246 VanDerWaalsContact OD1-CG 3.32Å; D104-P246 WeakPolarHBondContact OD1-CG 3.42Å
105	V	67.8	Low	69.2	Low	40 Å²	40	65.6 Å²	65.6	24%	0.242	35%	0.351	C	S	.	.	S	Bend	trans	-96.8	85.4	-177.8	-73.5	0	0	0	0	109	Y49 E74 N107	Y49-V105 HydrophobicContact CD1-CB 4.32Å; Y49-V105 HydrophobicContact CD1-CG1 3.68Å; Y49-V105 HydrophobicContact CD1-CG2 3.61Å; Y49-V105 HydrophobicContact CE1-CG1 3.66Å; Y49-V105 HydrophobicContact CE1-CG2 4.3Å; Y49-V105 HydrophobicContact CG-CG2 4.03Å; E74-V105 HydrophobicContact CB-CG1 4.46Å; V105-N107 PolarHBondContact O-N 2.84Å
106	A	50.3	Low	68.8	Low	62 Å²	62	70 Å²	70	51%	0.512	37%	0.37	S	S	.	.			trans	-73.5	97.3	172.2	0	0	0	0	0	111.4	D104 Y108	D104-A106 PolarHBondContact O-N 2.85Å; A106-Y108 HydrophobicContact CB-CD2 3.41Å; A106-Y108 VanDerWaalsContact CB-CD2 3.41Å; A106-Y108 HydrophobicContact CB-CE2 4.12Å; A106-Y108 HydrophobicContact CB-CG 4.29Å
107	N	38.7	Very low	68.7	Low	138 Å²	138	66.5 Å²	66.5	74%	0.738	35%	0.354	S	S	*	.			trans	-92.8	37.1	142.3	-119.1	4.6	0	0	0	109.4	N51 V105 R109	N51-N107 WeakPolarHBondContact ND2-CB 3.16Å; V105-N107 PolarHBondContact O-N 2.84Å; N107-R109 PolarHBondContact O-N 2.98Å; N107-R109 VanDerWaalsContact O-N 3.14Å
108	Y	40	Very low	68.4	Low	61 Å²	61	71.8 Å²	71.8	24%	0.239	38%	0.377	C	S	.	.			trans	-77.6	104.8	-169	-76.2	-65.3	0	0	0	112.6	P103 A106 L110	P103-Y108 HydrophobicContact CB-CE2 3.7Å; P103-Y108 WeakPolarHBondContact CB-OH 3.48Å; P103-Y108 HydrophobicContact CG-CE2 4.15Å; P103-Y108 WeakPolarHBondContact CG-OH 3.39Å; A106-Y108 HydrophobicContact CB-CD2 3.41Å; A106-Y108 VanDerWaalsContact CB-CD2 3.41Å; A106-Y108 HydrophobicContact CB-CE2 4.12Å; A106-Y108 HydrophobicContact CB-CG 4.29Å; Y108-L110 HydrophobicContact CD1-CB 4.39Å; Y108-L110 HydrophobicContact CD1-CD1 3.71Å; Y108-L110 HydrophobicContact CD1-CG 4.22Å; Y108-L110 HydrophobicContact CE1-CD1 4.16Å; Y108-L110 HydrophobicContact CG-CD1 4.5Å; Y108-L110 PolarHBondContact O-N 3.41Å
109	R	34.1	Very low	68	Low	239 Å²	239	74.9 Å²	74.9	90%	0.902	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	27.2	146	-72.9	-179.4	167.6	-178.3	-3.7	113.3	N107	N107-R109 PolarHBondContact O-N 2.98Å; N107-R109 VanDerWaalsContact O-N 3.14Å
110	L	41.8	Very low	67.6	Low	95 Å²	95	78.9 Å²	78.9	50%	0.497	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-20.1	159.1	-82.1	163.2	0	0	0	111.1	Y108	Y108-L110 HydrophobicContact CD1-CB 4.39Å; Y108-L110 HydrophobicContact CD1-CD1 3.71Å; Y108-L110 HydrophobicContact CD1-CG 4.22Å; Y108-L110 HydrophobicContact CE1-CD1 4.16Å; Y108-L110 HydrophobicContact CG-CD1 4.5Å; Y108-L110 PolarHBondContact O-N 3.41Å
111	F	42.8	Very low	67.3	Low	65 Å²	65	83.7 Å²	83.7	29%	0.285	43%	0.434	S	S	.	.	S	Bend	trans	-148.8	80	174.5	-60.7	-75.4	0	0	0	112.8	G113 P115 A194 P195	F111-G113 PolarHBondContact O-N 2.86Å; F111-P115 HydrophobicContact CB-CB 3.6Å; F111-P115 HydrophobicContact CB-CG 3.37Å; F111-P115 HydrophobicContact CD1-CB 3.47Å; F111-P115 VanDerWaalsContact CD1-CB 3.47Å; F111-P115 HydrophobicContact CD1-CG 4.04Å; F111-P115 HydrophobicContact CD2-CG 4.36Å; F111-P115 HydrophobicContact CE1-CB 4.37Å; F111-P115 HydrophobicContact CG-CB 3.64Å; F111-P115 HydrophobicContact CG-CG 3.65Å; F111-A194 HydrophobicContact CD1-CB 3.91Å; F111-A194 HydrophobicContact CD2-CB 3.42Å; F111-A194 VanDerWaalsContact CD2-CB 3.42Å; F111-A194 HydrophobicContact CE1-CB 3.61Å; F111-A194 WeakPolarHBondContact CE1-O 3.33Å; F111-A194 HydrophobicContact CE2-CB 3.11Å; F111-A194 HydrophobicContact CG-CB 3.83Å; F111-A194 VanDerWaalsContact CZ-C 3.48Å; F111-A194 HydrophobicContact CZ-CB 3.21Å; F111-A194 VanDerWaalsContact CZ-O 3.28Å; F111-A194 WeakPolarHBondContact CZ-O 3.25Å; F111-P195 VanDerWaalsContact CE1-O 3.31Å; F111-P195 WeakPolarHBondContact CE1-O 2.97Å
112	P	37.1	Very low	67.4	Low	114 Å²	114	83.3 Å²	83.3	74%	0.74	43%	0.43	S	S	*	.	S	Bend	trans	-64.5	129.1	165.1	26	-28.9	0	0	0	110.3
113	G	51	Low	67.5	Low	71 Å²	71	83.5 Å²	83.5	73%	0.732	43%	0.431	S	S	*	.	S	Bend	trans	100.4	34.6	162.4	0	0	0	0	0	118.2	F111	F111-G113 PolarHBondContact O-N 2.86Å
114	E	58.6	Low	68.1	Low	137 Å²	137	83 Å²	83	64%	0.64	43%	0.426	S	S	*	.			trans	61.7	71.8	-179.7	-56.1	178.3	163.3	0	0	111.5	K116 L269	E114-K116 PolarHBondContact O-N 2.82Å; E114-L269 HydrophobicContact CB-CD2 4.1Å
115	P	71.1	Confident	68.8	Low	31 Å²	31	85.7 Å²	85.7	20%	0.201	44%	0.435	C	S	.	.			trans	-57.8	113.6	-174.4	27.2	-36.1	0	0	0	109.8	F111 A194 G233	F111-P115 HydrophobicContact CB-CB 3.6Å; F111-P115 HydrophobicContact CB-CG 3.37Å; F111-P115 HydrophobicContact CD1-CB 3.47Å; F111-P115 VanDerWaalsContact CD1-CB 3.47Å; F111-P115 HydrophobicContact CD1-CG 4.04Å; F111-P115 HydrophobicContact CD2-CG 4.36Å; F111-P115 HydrophobicContact CE1-CB 4.37Å; F111-P115 HydrophobicContact CG-CB 3.64Å; F111-P115 HydrophobicContact CG-CG 3.65Å; P115-A194 HydrophobicContact CB-CB 4.29Å; P115-A194 HydrophobicContact CG-CB 4.14Å; P115-G233 VanDerWaalsContact O-CA 3.26Å; P115-G233 WeakPolarHBondContact O-CA 3.41Å
116	K	85.8	Confident	70.2	Confident	103 Å²	103	84.2 Å²	84.2	45%	0.448	43%	0.426	S	S	.	.			trans	-140.3	144.1	177.4	73.5	-176.3	-172.7	-175.2	0	108.8	E114 K118 L269 Y270	E114-K116 PolarHBondContact O-N 2.82Å; K116-K118 PolarHBondContact O-N 3.1Å; K116-L269 WeakPolarHBondContact CD-O 3.39Å; K116-Y270 HydrophobicContact CB-CE1 4.18Å
117	W	90	Very high	72.2	Confident	28 Å²	28	83.9 Å²	83.9	11%	0.106	42%	0.42	C	S	.	.			trans	-57.9	130.5	168.1	-66.7	108.2	0	0	0	110.5	K119 L122 D166 P195 G196 G200 A231 Y270	W117-K119 PolarHBondContact O-N 3.13Å; W117-L122 HydrophobicContact CB-CD1 4.34Å; W117-L122 HydrophobicContact CB-CD2 3.72Å; W117-L122 VanDerWaalsContact CD1-CD1 3.42Å; W117-L122 HydrophobicContact CD2-CD2 3.65Å; W117-L122 HydrophobicContact CE3-CD2 4.11Å; W117-L122 HydrophobicContact CG-CD1 3.85Å; W117-L122 HydrophobicContact CG-CD2 3.46Å; W117-L122 VanDerWaalsContact CG-CD2 3.46Å; W117-L122 HydrophobicContact CG-CG 4.31Å; W117-D166 HydrophobicContact CH2-CB 3.99Å; W117-D166 WeakPolarHBondContact CH2-O 3.19Å; W117-D166 HydrophobicContact CZ2-CB 4.2Å; W117-D166 WeakPolarHBondContact CZ2-O 3.27Å; W117-D166 HydrophobicContact CZ3-CB 4.32Å; W117-P195 HydrophobicContact CD2-CB 3.85Å; W117-P195 HydrophobicContact CD2-CG 4.49Å; W117-P195 HydrophobicContact CE3-CB 4.46Å; W117-P195 HydrophobicContact CG-CB 4Å; W117-P195 HydrophobicContact CG-CG 4.28Å; W117-P195 HydrophobicContact CZ2-CB 4.21Å; W117-G196 WeakPolarHBondContact CH2-O 3.48Å; W117-G200 WeakPolarHBondContact CH2-O 3.43Å; W117-A231 PolarHBondContact NE1-O 3.41Å; W117-Y270 HydrophobicContact CB-CE1 4.25Å; W117-Y270 VanDerWaalsContact CD1-OH 3.32Å; W117-Y270 PolarHBondContact N-OH 3.4Å
118	K	89.9	Confident	74.9	Confident	215 Å²	215	81.4 Å²	81.4	94%	0.935	40%	0.403	S	S	*	.	S	Bend	trans	-75.7	-2.8	176	-62.9	-179.8	-176.9	172.2	0	112.9	K116	K116-K118 PolarHBondContact O-N 3.1Å
119	K	87.3	Confident	77.7	Confident	89 Å²	89	81.7 Å²	81.7	39%	0.387	40%	0.404	S	S	.	.			trans	-127.7	155.3	-177.6	65.5	-176.1	-176.3	179.4	0	110.7	W117 I121 L122 D166	W117-K119 PolarHBondContact O-N 3.13Å; K119-I121 WeakPolarHBondContact CD-O 3.31Å; K119-I121 WeakPolarHBondContact CE-O 3.41Å; K119-L122 HydrophobicContact CD-CD2 4.37Å; K119-L122 HydrophobicContact CG-CD2 3.78Å; K119-D166 WeakPolarHBondContact CE-OD1 3.23Å; K119-D166 WeakPolarHBondContact CE-OD2 3.45Å; K119-D166 IonicContact NZ-OD1 3.92Å; K119-D166 PolarHBondContact NZ-OD1 3.25Å; K119-D166 IonicContact NZ-OD2 3.24Å; K119-D166 PolarHBondContact NZ-OD2 3.43Å
120	N	89.1	Confident	80.7	Confident	86 Å²	86	70.6 Å²	70.6	46%	0.46	36%	0.363	S	S	.	.	S	Bend	trans	-101.6	-10.3	-176.8	-69.9	-11.1	0	0	0	113.7	P154 L155 S156	N120-P154 WeakPolarHBondContact CB-O 3.49Å; N120-L155 HydrophobicContact CB-CD2 4.35Å; N120-L155 CarbonylContact O-C 3.53Å; N120-L155 WeakPolarHBondContact O-CA 3.49Å; N120-S156 PolarHBondContact O-N 3.42Å
121	I	91.8	Very high	83.1	Confident	106 Å²	106	72.6 Å²	72.6	54%	0.544	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.6	172.4	-61.2	168.1	0	0	0	106.5	K119 S156 V158	K119-I121 WeakPolarHBondContact CD-O 3.31Å; K119-I121 WeakPolarHBondContact CE-O 3.41Å; I121-S156 WeakPolarHBondContact CA-O 3.41Å; I121-V158 HydrophobicContact CG2-CG2 3.89Å
122	L	94.9	Very high	85.6	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.4	179.6	-59.6	175.9	0	0	0	109	W117 K119 L155 S156 F157 V158 D166 L232	W117-L122 HydrophobicContact CB-CD1 4.34Å; W117-L122 HydrophobicContact CB-CD2 3.72Å; W117-L122 VanDerWaalsContact CD1-CD1 3.42Å; W117-L122 HydrophobicContact CD2-CD2 3.65Å; W117-L122 HydrophobicContact CE3-CD2 4.11Å; W117-L122 HydrophobicContact CG-CD1 3.85Å; W117-L122 HydrophobicContact CG-CD2 3.46Å; W117-L122 VanDerWaalsContact CG-CD2 3.46Å; W117-L122 HydrophobicContact CG-CG 4.31Å; K119-L122 HydrophobicContact CD-CD2 4.37Å; K119-L122 HydrophobicContact CG-CD2 3.78Å; L122-L155 HydrophobicContact CD1-CD1 4.36Å; L122-S156 PolarHBondContact N-O 2.74Å; L122-F157 HydrophobicContact CB-CD1 3.91Å; L122-F157 HydrophobicContact CB-CE1 4.09Å; L122-F157 HydrophobicContact CD1-CD1 4.39Å; L122-F157 HydrophobicContact CD1-CE1 3.71Å; L122-F157 HydrophobicContact CD1-CZ 4.46Å; L122-F157 HydrophobicContact CG-CE1 4.44Å; L122-F157 CarbonylContact O-C 3.2Å; L122-F157 VanDerWaalsContact O-CA 3.31Å; L122-F157 WeakPolarHBondContact O-CA 3.18Å; L122-V158 PolarHBondContact O-N 2.73Å; L122-D166 WeakPolarHBondContact CA-OD2 3.39Å; L122-D166 HydrophobicContact CB-CB 4.48Å; L122-D166 HydrophobicContact CD2-CB 4.33Å; L122-L232 HydrophobicContact CD1-CD2 3.65Å
123	T	90.4	Very high	88.4	Confident	34 Å²	34	67.2 Å²	67.2	21%	0.209	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	145.3	172.3	56.6	0	0	0	0	110.2	V158 I160 A165 D166 I167	T123-V158 CarbonylContact C-O 3.56Å; T123-V158 WeakPolarHBondContact CA-O 3.37Å; T123-I160 HydrophobicContact CG2-CG2 3.82Å; T123-A165 WeakPolarHBondContact OG1-CA 3.33Å; T123-D166 PolarHBondContact N-OD2 3.3Å; T123-D166 WeakPolarHBondContact O-CB 3.32Å; T123-D166 PolarHBondContact O-N 2.8Å; T123-D166 VanDerWaalsContact O-N 3.09Å; T123-D166 PolarHBondContact OG1-N 3.26Å; T123-D166 PolarHBondContact OG1-OD2 3.21Å; T123-I167 PolarHBondContact O-N 2.81Å; T123-I167 VanDerWaalsContact O-N 3.08Å
124	Y	98.1	Very high	90.5	Very high	16 Å²	16	66.6 Å²	66.6	6%	0.063	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.3	172.3	74.8	-84.9	0	0	0	111.1	V142 L146 F157 V158 R159 I160 I167 I169	Y124-V142 HydrophobicContact CD2-CG1 3.8Å; Y124-V142 HydrophobicContact CE2-CG1 3.54Å; Y124-L146 HydrophobicContact CD1-CD1 3.49Å; Y124-L146 VanDerWaalsContact CD1-CD1 3.49Å; Y124-L146 HydrophobicContact CD2-CD1 3.85Å; Y124-L146 HydrophobicContact CE1-CD1 3.66Å; Y124-L146 HydrophobicContact CE2-CD1 4.02Å; Y124-L146 HydrophobicContact CG-CD1 3.57Å; Y124-F157 HydrophobicContact CD1-CB 4.03Å; Y124-F157 HydrophobicContact CE1-CB 4.12Å; Y124-V158 PolarHBondContact N-O 3.31Å; Y124-R159 HydrophobicContact CD1-CB 4.45Å; Y124-R159 HydrophobicContact CD2-CG 4.49Å; Y124-R159 HydrophobicContact CE1-CB 3.79Å; Y124-R159 HydrophobicContact CE2-CB 4.05Å; Y124-R159 HydrophobicContact CE2-CG 3.91Å; Y124-R159 WeakPolarHBondContact O-CA 3.2Å; Y124-I160 PolarHBondContact O-N 2.97Å; Y124-I167 VanDerWaalsContact CA-O 3.28Å; Y124-I167 WeakPolarHBondContact CA-O 3.48Å; Y124-I169 HydrophobicContact CD2-CD1 4Å
125	R	94.8	Very high	92.3	Very high	70 Å²	70	63.1 Å²	63.1	26%	0.264	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	128.9	178.7	-179.5	175.7	175.4	-136.8	-9.6	111.1	S127 I160 N161 G163 A165 I167 M168 I169	R125-S127 PolarHBondContact O-N 2.78Å; R125-I160 HydrophobicContact CB-CG1 4.01Å; R125-N161 PolarHBondContact NE-O 2.87Å; R125-G163 WeakPolarHBondContact CD-O 3.48Å; R125-G163 PolarHBondContact NH1-O 2.89Å; R125-A165 HydrophobicContact CB-CB 3.85Å; R125-I167 PolarHBondContact N-O 2.84Å; R125-M168 HydrophobicContact CB-SD 4.02Å; R125-I169 PolarHBondContact O-N 3.09Å
126	V	97.3	Very high	93.2	Very high	8 Å²	8	65.1 Å²	65.1	5%	0.048	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	110.2	165.9	-171.9	0	0	0	0	108.3	K128 Y129 V138 V142 I169	V126-K128 WeakPolarHBondContact CG1-O 3.46Å; V126-Y129 HydrophobicContact CB-CE1 4Å; V126-Y129 HydrophobicContact CB-CE2 4.19Å; V126-Y129 HydrophobicContact CG1-CD1 3.81Å; V126-Y129 HydrophobicContact CG1-CD2 4.04Å; V126-Y129 HydrophobicContact CG1-CE1 3.55Å; V126-Y129 HydrophobicContact CG1-CE2 3.81Å; V126-Y129 HydrophobicContact CG1-CG 4.04Å; V126-V138 HydrophobicContact CG1-CG1 4.25Å; V126-V142 HydrophobicContact CG2-CG2 4.31Å; V126-I169 CarbonylContact C-O 3.53Å; V126-I169 WeakPolarHBondContact CA-O 3.48Å; V126-I169 HydrophobicContact CG1-CG2 4.38Å; V126-I169 HydrophobicContact CG2-CB 4.2Å; V126-I169 HydrophobicContact CG2-CD1 4.27Å; V126-I169 HydrophobicContact CG2-CG2 4.22Å
127	S	92.5	Very high	93.5	Very high	55 Å²	55	64 Å²	64	39%	0.385	34%	0.342	S	S	.	.			trans	-90.3	-31.2	-176.5	61.9	0	0	0	0	112.6	R125 I169	R125-S127 PolarHBondContact O-N 2.78Å; S127-I169 PolarHBondContact N-O 3.03Å; S127-I169 PolarHBondContact OG-O 3.06Å
128	K	95.4	Very high	93.9	Very high	86 Å²	86	62.7 Å²	62.7	37%	0.374	34%	0.337	S	S	.	.	S	Bend	trans	-140.6	139.6	178.5	-172.3	173.1	174.8	-177.5	0	108.9	V126 F171 E172	V126-K128 WeakPolarHBondContact CG1-O 3.46Å; K128-F171 VanDerWaalsContact CD-O 3.24Å; K128-F171 WeakPolarHBondContact CD-O 3.34Å; K128-F171 WeakPolarHBondContact CE-O 3.34Å; K128-F171 VanDerWaalsContact O-CD2 3.29Å; K128-F171 WeakPolarHBondContact O-CD2 3.2Å; K128-F171 PolarHBondContact O-N 3.08Å; K128-E172 WeakPolarHBondContact CD-OE1 3.27Å; K128-E172 IonicContact NZ-OE1 3.61Å; K128-E172 IonicContact NZ-OE2 3.72Å; K128-E172 PolarHBondContact NZ-OE2 2.98Å
129	Y	97.8	Very high	94	Very high	68 Å²	68	53.8 Å²	53.8	27%	0.267	30%	0.298	S	S	.	.			trans	-111.1	151.8	-177.1	-67.7	-99.8	0	0	0	111.3	V126 V138 E139	V126-Y129 HydrophobicContact CB-CE1 4Å; V126-Y129 HydrophobicContact CB-CE2 4.19Å; V126-Y129 HydrophobicContact CG1-CD1 3.81Å; V126-Y129 HydrophobicContact CG1-CD2 4.04Å; V126-Y129 HydrophobicContact CG1-CE1 3.55Å; V126-Y129 HydrophobicContact CG1-CE2 3.81Å; V126-Y129 HydrophobicContact CG1-CG 4.04Å; Y129-V138 HydrophobicContact CD1-CB 3.88Å; Y129-V138 HydrophobicContact CD1-CG1 3.75Å; Y129-V138 HydrophobicContact CD1-CG2 4.2Å; Y129-V138 HydrophobicContact CE1-CB 4.17Å; Y129-V138 HydrophobicContact CE1-CG1 3.96Å; Y129-E139 HydrophobicContact CE1-CG 4.19Å; Y129-E139 PolarHBondContact OH-OE1 3.44Å
130	T	97.1	Very high	94.2	Very high	6 Å²	6	53.9 Å²	53.9	4%	0.037	30%	0.299	C	S	.	.			trans	-72.2	152.2	167.3	-175	0	0	0	0	111.8	S132 M133 V138 F171 N207 W211	T130-S132 VanDerWaalsContact C-N 3.35Å; T130-S132 PolarHBondContact OG1-N 2.91Å; T130-S132 VanDerWaalsContact OG1-N 3.16Å; T130-S132 PolarHBondContact OG1-OG 2.88Å; T130-M133 HydrophobicContact CG2-CB 4.03Å; T130-M133 HydrophobicContact CG2-CG 4.35Å; T130-V138 HydrophobicContact CG2-CG2 3.99Å; T130-F171 HydrophobicContact CG2-CD1 4.01Å; T130-F171 HydrophobicContact CG2-CE1 3.76Å; T130-F171 HydrophobicContact CG2-CG 4.47Å; T130-F171 HydrophobicContact CG2-CZ 4.02Å; T130-N207 VanDerWaalsContact CA-OD1 3.25Å; T130-N207 WeakPolarHBondContact CA-OD1 3.41Å; T130-N207 WeakPolarHBondContact CB-OD1 3.43Å; T130-N207 PolarHBondContact OG1-OD1 3Å; T130-W211 HydrophobicContact CG2-CB 4.27Å; T130-W211 HydrophobicContact CG2-CG 4.43Å
131	T	93.1	Very high	94.5	Very high	136 Å²	136	49.8 Å²	49.8	83%	0.834	28%	0.277	S	S	*	.	S	Bend	trans	-85.1	-10.1	171.3	54.4	0	0	0	0	113	M133	T131-M133 VanDerWaalsContact C-N 3.35Å
132	S	94.1	Very high	94.8	Very high	49 Å²	49	44.8 Å²	44.8	34%	0.343	25%	0.251	S	S	.	.	S	Bend	trans	-81.3	-12.6	-177.5	61.3	0	0	0	0	114.2	T130 W211	T130-S132 VanDerWaalsContact C-N 3.35Å; T130-S132 PolarHBondContact OG1-N 2.91Å; T130-S132 VanDerWaalsContact OG1-N 3.16Å; T130-S132 PolarHBondContact OG1-OG 2.88Å; S132-W211 WeakPolarHBondContact OG-CB 3.48Å; S132-W211 PolarHBondContact OG-N 3.36Å
133	M	95.5	Very high	94.7	Very high	17 Å²	17	50.1 Å²	50.1	8%	0.084	28%	0.276	C	S	.	.	S	Bend	trans	-138.8	154.9	-179.6	-63.3	179.1	59.7	0	0	110.1	T130 T131 E137 V138 W211 T212 M213 L220	T130-M133 HydrophobicContact CG2-CB 4.03Å; T130-M133 HydrophobicContact CG2-CG 4.35Å; T131-M133 VanDerWaalsContact C-N 3.35Å; M133-E137 HydrophobicContact CB-CB 4.46Å; M133-E137 HydrophobicContact CE-CB 3.6Å; M133-V138 HydrophobicContact CB-CG2 4Å; M133-W211 HydrophobicContact CG-CB 3.99Å; M133-W211 VanDerWaalsContact CG-O 3.25Å; M133-W211 WeakPolarHBondContact CG-O 3.41Å; M133-W211 HydrophobicContact SD-CB 3.47Å; M133-W211 WeakPolarHBondContact SD-CB 3.36Å; M133-T212 PolarHBondContact SD-N 3Å; M133-T212 VanDerWaalsContact SD-N 3.41Å; M133-M213 HydrophobicContact CE-CG 3.66Å; M133-M213 HydrophobicContact CE-SD 3.87Å; M133-L220 HydrophobicContact CE-CB 4.3Å; M133-L220 HydrophobicContact CE-CD2 4.1Å; M133-L220 HydrophobicContact SD-CB 3.94Å; M133-L220 HydrophobicContact SD-CD2 3.94Å
134	S	96.9	Very high	94.9	Very high	58 Å²	58	50 Å²	50	41%	0.406	27%	0.274	S	S	.	.			trans	-69.5	150.8	170.5	66.9	0	0	0	0	110.9	A136 E137 V138	S134-A136 PolarHBondContact O-N 3.28Å; S134-A136 VanDerWaalsContact O-N 3.16Å; S134-E137 WeakPolarHBondContact CB-OE2 3.4Å; S134-E137 PolarHBondContact N-OE2 3.26Å; S134-E137 PolarHBondContact O-N 3.4Å; S134-E137 VanDerWaalsContact OG-CG 3.25Å; S134-E137 WeakPolarHBondContact OG-CG 3.35Å; S134-E137 PolarHBondContact OG-N 2.81Å; S134-E137 PolarHBondContact OG-OE2 3.46Å; S134-V138 PolarHBondContact O-N 3.36Å
135	S	94.6	Very high	94.9	Very high	65 Å²	65	49.2 Å²	49.2	46%	0.455	27%	0.271	S	S	.	.	H	α-helix	trans	-55.5	-35.4	176.2	-55.6	0	0	0	0	112.3	E137 V138 E139	S135-E137 PolarHBondContact O-N 3.12Å; S135-V138 PolarHBondContact O-N 3.34Å; S135-E139 WeakPolarHBondContact O-CB 3.43Å; S135-E139 WeakPolarHBondContact O-CG 3.24Å; S135-E139 PolarHBondContact O-N 3.24Å
136	A	91.9	Very high	95	Very high	73 Å²	73	46.1 Å²	46.1	60%	0.603	26%	0.259	S	S	*	.	H	α-helix	trans	-64.6	-37.8	176.9	0	0	0	0	0	112.9	S134 K140	S134-A136 PolarHBondContact O-N 3.28Å; S134-A136 VanDerWaalsContact O-N 3.16Å; A136-K140 VanDerWaalsContact O-CB 3.29Å; A136-K140 WeakPolarHBondContact O-CB 3.24Å; A136-K140 PolarHBondContact O-N 2.96Å
137	E	92	Very high	94.8	Very high	80 Å²	80	51.3 Å²	51.3	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-70.8	-38.7	175.7	-70.9	167.1	120.4	0	0	111.8	M133 S134 S135 K140 A141 M213	M133-E137 HydrophobicContact CB-CB 4.46Å; M133-E137 HydrophobicContact CE-CB 3.6Å; S134-E137 WeakPolarHBondContact CB-OE2 3.4Å; S134-E137 PolarHBondContact N-OE2 3.26Å; S134-E137 PolarHBondContact O-N 3.4Å; S134-E137 VanDerWaalsContact OG-CG 3.25Å; S134-E137 WeakPolarHBondContact OG-CG 3.35Å; S134-E137 PolarHBondContact OG-N 2.81Å; S134-E137 PolarHBondContact OG-OE2 3.46Å; S135-E137 PolarHBondContact O-N 3.12Å; E137-K140 PolarHBondContact O-N 2.79Å; E137-A141 WeakPolarHBondContact O-CB 3.5Å; E137-A141 PolarHBondContact O-N 3.41Å; E137-M213 HydrophobicContact CB-CG 4.17Å; E137-M213 HydrophobicContact CG-CG 4.34Å
138	V	97.4	Very high	94.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-51.6	173.9	172.4	0	0	0	0	110.4	V126 Y129 T130 M133 S134 S135 K140 A141 V142 F171 L220	V126-V138 HydrophobicContact CG1-CG1 4.25Å; Y129-V138 HydrophobicContact CD1-CB 3.88Å; Y129-V138 HydrophobicContact CD1-CG1 3.75Å; Y129-V138 HydrophobicContact CD1-CG2 4.2Å; Y129-V138 HydrophobicContact CE1-CB 4.17Å; Y129-V138 HydrophobicContact CE1-CG1 3.96Å; T130-V138 HydrophobicContact CG2-CG2 3.99Å; M133-V138 HydrophobicContact CB-CG2 4Å; S134-V138 PolarHBondContact O-N 3.36Å; S135-V138 PolarHBondContact O-N 3.34Å; V138-K140 VanDerWaalsContact C-N 3.3Å; V138-K140 PolarHBondContact O-N 2.91Å; V138-A141 PolarHBondContact O-N 2.81Å; V138-V142 HydrophobicContact CG1-CG2 4.44Å; V138-V142 WeakPolarHBondContact O-CG2 3.2Å; V138-V142 PolarHBondContact O-N 3.32Å; V138-F171 HydrophobicContact CG1-CE2 3.76Å; V138-F171 HydrophobicContact CG1-CZ 4.08Å; V138-F171 HydrophobicContact CG2-CE2 4.47Å; V138-F171 HydrophobicContact CG2-CZ 4.34Å; V138-L220 HydrophobicContact CB-CD2 4.17Å; V138-L220 HydrophobicContact CG1-CD2 4.11Å; V138-L220 HydrophobicContact CG2-CD2 3.98Å
139	E	91.9	Very high	95	Very high	28 Å²	28	45 Å²	45	13%	0.131	25%	0.25	C	C	.	.	H	α-helix	trans	-58.8	-42.4	178.5	-70.5	-66.9	174.9	0	0	112	Y129 S135 V142 Q143 R159	Y129-E139 HydrophobicContact CE1-CG 4.19Å; Y129-E139 PolarHBondContact OH-OE1 3.44Å; S135-E139 WeakPolarHBondContact O-CB 3.43Å; S135-E139 WeakPolarHBondContact O-CG 3.24Å; S135-E139 PolarHBondContact O-N 3.24Å; E139-V142 PolarHBondContact O-N 3.16Å; E139-Q143 VanDerWaalsContact O-CB 3.27Å; E139-Q143 WeakPolarHBondContact O-CB 3.44Å; E139-Q143 PolarHBondContact O-N 2.65Å; E139-R159 IonicContact OE1-CZ 3.31Å; E139-R159 VanDerWaalsContact OE1-CZ 3.31Å; E139-R159 IonicContact OE1-NE 3.47Å; E139-R159 PolarHBondContact OE1-NE 2.8Å; E139-R159 IonicContact OE1-NH2 3.16Å; E139-R159 PolarHBondContact OE1-NH2 3.19Å; E139-R159 WeakPolarHBondContact OE2-CD 3.26Å; E139-R159 IonicContact OE2-CZ 3.67Å; E139-R159 IonicContact OE2-NE 3.47Å; E139-R159 PolarHBondContact OE2-NE 2.93Å; E139-R159 IonicContact OE2-NH2 3.52Å
140	K	91.4	Very high	94.8	Very high	90 Å²	90	42.7 Å²	42.7	39%	0.391	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-44.7	176.6	-173.2	175.1	-175.6	177.4	0	111.7	A136 E137 V138 Q143 M144	A136-K140 VanDerWaalsContact O-CB 3.29Å; A136-K140 WeakPolarHBondContact O-CB 3.24Å; A136-K140 PolarHBondContact O-N 2.96Å; E137-K140 PolarHBondContact O-N 2.79Å; V138-K140 VanDerWaalsContact C-N 3.3Å; V138-K140 PolarHBondContact O-N 2.91Å; K140-Q143 PolarHBondContact O-N 3.25Å; K140-M144 HydrophobicContact CG-SD 3.99Å; K140-M144 WeakPolarHBondContact O-CB 3.32Å; K140-M144 WeakPolarHBondContact O-CG 3.11Å; K140-M144 PolarHBondContact O-N 3.17Å
141	A	95.6	Very high	94.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-46.8	178	0	0	0	0	0	111.7	E137 V138 M144 A145 M213 L220 F221	E137-A141 WeakPolarHBondContact O-CB 3.5Å; E137-A141 PolarHBondContact O-N 3.41Å; V138-A141 PolarHBondContact O-N 2.81Å; A141-M144 PolarHBondContact O-N 3.23Å; A141-A145 WeakPolarHBondContact O-CB 3.16Å; A141-A145 PolarHBondContact O-N 3.27Å; A141-M213 HydrophobicContact CB-SD 3.79Å; A141-L220 HydrophobicContact CB-CB 4.07Å; A141-L220 HydrophobicContact CB-CD2 3.78Å; A141-L220 HydrophobicContact CB-CG 3.82Å; A141-F221 HydrophobicContact CB-CB 4.34Å
142	V	98.1	Very high	94.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-48.6	177.2	166.7	0	0	0	0	110.8	Y124 V126 V138 E139 M144 A145 L146 I169 F228	Y124-V142 HydrophobicContact CD2-CG1 3.8Å; Y124-V142 HydrophobicContact CE2-CG1 3.54Å; V126-V142 HydrophobicContact CG2-CG2 4.31Å; V138-V142 HydrophobicContact CG1-CG2 4.44Å; V138-V142 WeakPolarHBondContact O-CG2 3.2Å; V138-V142 PolarHBondContact O-N 3.32Å; E139-V142 PolarHBondContact O-N 3.16Å; V142-M144 VanDerWaalsContact C-N 3.34Å; V142-M144 PolarHBondContact O-N 3.04Å; V142-A145 PolarHBondContact O-N 2.84Å; V142-L146 HydrophobicContact CG1-CD1 3.98Å; V142-L146 WeakPolarHBondContact O-CG 3.17Å; V142-L146 PolarHBondContact O-N 2.86Å; V142-I169 HydrophobicContact CG1-CD1 3.54Å; V142-I169 HydrophobicContact CG2-CD1 4.18Å; V142-I169 HydrophobicContact CG2-CG2 4.5Å; V142-F228 HydrophobicContact CG1-CE2 4.12Å; V142-F228 HydrophobicContact CG1-CZ 3.98Å; V142-F228 HydrophobicContact CG2-CZ 4.4Å
143	Q	93.8	Very high	94.6	Very high	113 Å²	113	38 Å²	38	53%	0.528	22%	0.217	S	C	.	.	H	α-helix	trans	-59	-46.3	178.7	-176.6	-177.6	11.1	0	0	111.4	E139 K140 A145 L146 Q147	E139-Q143 VanDerWaalsContact O-CB 3.27Å; E139-Q143 WeakPolarHBondContact O-CB 3.44Å; E139-Q143 PolarHBondContact O-N 2.65Å; K140-Q143 PolarHBondContact O-N 3.25Å; Q143-A145 VanDerWaalsContact C-N 3.34Å; Q143-A145 PolarHBondContact O-N 3.43Å; Q143-L146 PolarHBondContact O-N 2.79Å; Q143-Q147 VanDerWaalsContact O-CB 3.25Å; Q143-Q147 WeakPolarHBondContact O-CB 3.18Å; Q143-Q147 PolarHBondContact O-N 3.34Å
144	M	93.7	Very high	94.6	Very high	31 Å²	31	39.2 Å²	39.2	15%	0.153	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-40.6	178.8	-70.6	175.6	71.2	0	0	111.7	K140 A141 V142 Q147 A148 F221 P253 Y254	K140-M144 HydrophobicContact CG-SD 3.99Å; K140-M144 WeakPolarHBondContact O-CB 3.32Å; K140-M144 WeakPolarHBondContact O-CG 3.11Å; K140-M144 PolarHBondContact O-N 3.17Å; A141-M144 PolarHBondContact O-N 3.23Å; V142-M144 VanDerWaalsContact C-N 3.34Å; V142-M144 PolarHBondContact O-N 3.04Å; M144-Q147 WeakPolarHBondContact O-CB 3.43Å; M144-Q147 PolarHBondContact O-N 2.76Å; M144-A148 PolarHBondContact O-N 3.03Å; M144-F221 HydrophobicContact CB-CD2 3.59Å; M144-F221 HydrophobicContact CB-CE2 3.79Å; M144-P253 HydrophobicContact CE-CB 3.53Å; M144-P253 WeakPolarHBondContact CE-O 3.37Å; M144-P253 HydrophobicContact SD-CB 4.36Å; M144-Y254 HydrophobicContact CE-CD1 3.64Å; M144-Y254 HydrophobicContact CE-CE1 3.83Å; M144-Y254 HydrophobicContact CE-CG 4.27Å; M144-Y254 HydrophobicContact SD-CD1 4.48Å; M144-Y254 HydrophobicContact SD-CE1 4.08Å
145	A	97.8	Very high	94.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-45.6	178.9	0	0	0	0	0	112.2	A141 V142 Q143 Q147 A148 F221 A224 A225 F228	A141-A145 WeakPolarHBondContact O-CB 3.16Å; A141-A145 PolarHBondContact O-N 3.27Å; V142-A145 PolarHBondContact O-N 2.84Å; Q143-A145 VanDerWaalsContact C-N 3.34Å; Q143-A145 PolarHBondContact O-N 3.43Å; A145-Q147 VanDerWaalsContact C-N 3.32Å; A145-Q147 PolarHBondContact O-N 2.83Å; A145-A148 WeakPolarHBondContact O-CB 3.45Å; A145-A148 PolarHBondContact O-N 2.93Å; A145-F221 HydrophobicContact CB-CD2 4.06Å; A145-F221 HydrophobicContact CB-CE2 4.34Å; A145-A224 HydrophobicContact CB-CB 3.86Å; A145-A225 HydrophobicContact CB-CB 3.9Å; A145-F228 HydrophobicContact CB-CD2 3.68Å; A145-F228 HydrophobicContact CB-CE2 3.75Å
146	L	97.4	Very high	94.4	Very high	4 Å²	4	36 Å²	36	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-34.3	173.8	-67.5	171.1	0	0	0	112.1	Y124 V142 Q143 A148 W149 S150 F157 I167 F228	Y124-L146 HydrophobicContact CD1-CD1 3.49Å; Y124-L146 VanDerWaalsContact CD1-CD1 3.49Å; Y124-L146 HydrophobicContact CD2-CD1 3.85Å; Y124-L146 HydrophobicContact CE1-CD1 3.66Å; Y124-L146 HydrophobicContact CE2-CD1 4.02Å; Y124-L146 HydrophobicContact CG-CD1 3.57Å; V142-L146 HydrophobicContact CG1-CD1 3.98Å; V142-L146 WeakPolarHBondContact O-CG 3.17Å; V142-L146 PolarHBondContact O-N 2.86Å; Q143-L146 PolarHBondContact O-N 2.79Å; L146-A148 VanDerWaalsContact C-N 3.3Å; L146-A148 PolarHBondContact O-N 2.77Å; L146-W149 PolarHBondContact O-N 2.95Å; L146-S150 PolarHBondContact O-N 3.2Å; L146-S150 PolarHBondContact O-OG 2.97Å; L146-F157 HydrophobicContact CB-CB 4.24Å; L146-F157 HydrophobicContact CB-CD1 4.44Å; L146-F157 HydrophobicContact CB-CD2 3.76Å; L146-F157 HydrophobicContact CB-CE2 4.2Å; L146-F157 HydrophobicContact CB-CG 3.89Å; L146-F157 HydrophobicContact CD1-CB 4.14Å; L146-F157 HydrophobicContact CD1-CD1 4.36Å; L146-F157 HydrophobicContact CD1-CG 4.25Å; L146-F157 HydrophobicContact CD2-CD1 3.75Å; L146-F157 HydrophobicContact CD2-CD2 4.41Å; L146-F157 HydrophobicContact CD2-CE1 3.74Å; L146-F157 HydrophobicContact CD2-CE2 4.41Å; L146-F157 HydrophobicContact CD2-CG 4.09Å; L146-F157 HydrophobicContact CD2-CZ 4.09Å; L146-F157 HydrophobicContact CG-CD1 4.4Å; L146-F157 HydrophobicContact CG-CG 4.3Å; L146-F157 WeakPolarHBondContact O-CD2 3.19Å; L146-F157 VanDerWaalsContact O-CE2 3.25Å; L146-F157 WeakPolarHBondContact O-CE2 3.27Å; L146-I167 HydrophobicContact CD2-CD1 4.49Å; L146-F228 HydrophobicContact CD1-CE2 4.32Å; L146-F228 HydrophobicContact CD2-CB 4.15Å; L146-F228 HydrophobicContact CD2-CD1 4.18Å; L146-F228 HydrophobicContact CD2-CD2 3.43Å; L146-F228 VanDerWaalsContact CD2-CD2 3.43Å; L146-F228 HydrophobicContact CD2-CE1 4.49Å; L146-F228 HydrophobicContact CD2-CE2 3.8Å; L146-F228 HydrophobicContact CD2-CG 3.66Å; L146-F228 HydrophobicContact CD2-CZ 4.33Å; L146-F228 HydrophobicContact CG-CD2 3.64Å; L146-F228 HydrophobicContact CG-CE2 3.61Å; L146-F228 HydrophobicContact CG-CG 4.37Å; L146-F228 HydrophobicContact CG-CZ 4.32Å
147	Q	92.9	Very high	94.6	Very high	118 Å²	118	34.2 Å²	34.2	55%	0.551	18%	0.183	S	C	*	.	H	α-helix	trans	-63.5	-35.6	175.3	-171.5	173.5	4.3	0	0	112.2	Q143 M144 A145 W149 S150 S151	Q143-Q147 VanDerWaalsContact O-CB 3.25Å; Q143-Q147 WeakPolarHBondContact O-CB 3.18Å; Q143-Q147 PolarHBondContact O-N 3.34Å; M144-Q147 WeakPolarHBondContact O-CB 3.43Å; M144-Q147 PolarHBondContact O-N 2.76Å; A145-Q147 VanDerWaalsContact C-N 3.32Å; A145-Q147 PolarHBondContact O-N 2.83Å; Q147-W149 VanDerWaalsContact C-N 3.29Å; Q147-W149 PolarHBondContact O-N 2.82Å; Q147-S150 WeakPolarHBondContact CA-OG 3.42Å; Q147-S150 PolarHBondContact O-N 3.11Å; Q147-S150 PolarHBondContact O-OG 2.84Å; Q147-S151 WeakPolarHBondContact O-CB 3.39Å; Q147-S151 PolarHBondContact O-N 2.87Å
148	A	94.4	Very high	94.4	Very high	8 Å²	8	33.6 Å²	33.6	7%	0.066	19%	0.185	C	C	.	.	H	α-helix	trans	-56	-46.1	176.4	0	0	0	0	0	111.2	M144 A145 L146 S151 F256 L258	M144-A148 PolarHBondContact O-N 3.03Å; A145-A148 WeakPolarHBondContact O-CB 3.45Å; A145-A148 PolarHBondContact O-N 2.93Å; L146-A148 VanDerWaalsContact C-N 3.3Å; L146-A148 PolarHBondContact O-N 2.77Å; A148-S151 PolarHBondContact O-OG 3.29Å; A148-F256 HydrophobicContact CB-CD1 3.76Å; A148-F256 HydrophobicContact CB-CE1 3.91Å; A148-L258 HydrophobicContact CB-CG 4.47Å; A148-L258 VanDerWaalsContact O-CD1 3.24Å; A148-L258 WeakPolarHBondContact O-CD1 3.42Å
149	W	97.3	Very high	94.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.1	-49.9	177.6	-63.3	112.9	0	0	0	113.1	L146 Q147 S151 A152 V153 F157 A225 G229 L232 L234 L243 M244 L258 D262 I266	L146-W149 PolarHBondContact O-N 2.95Å; Q147-W149 VanDerWaalsContact C-N 3.29Å; Q147-W149 PolarHBondContact O-N 2.82Å; W149-S151 PolarHBondContact O-N 2.91Å; W149-A152 PolarHBondContact O-N 2.98Å; W149-V153 WeakPolarHBondContact O-CG2 3.4Å; W149-V153 PolarHBondContact O-N 3.27Å; W149-F157 HydrophobicContact CB-CE2 4.47Å; W149-A225 WeakPolarHBondContact CZ2-O 3.08Å; W149-A225 PolarHBondContact NE1-O 2.85Å; W149-G229 VanDerWaalsContact CZ2-CA 3.44Å; W149-L232 HydrophobicContact CB-CD1 3.61Å; W149-L232 HydrophobicContact CD2-CD1 4.08Å; W149-L232 HydrophobicContact CG-CD1 3.56Å; W149-L234 HydrophobicContact CE3-CD1 4.46Å; W149-L234 HydrophobicContact CH2-CD1 3.35Å; W149-L234 HydrophobicContact CZ2-CD1 4.21Å; W149-L234 HydrophobicContact CZ3-CD1 3.5Å; W149-L243 HydrophobicContact CH2-CD2 4.29Å; W149-L243 HydrophobicContact CZ2-CD2 3.73Å; W149-M244 HydrophobicContact CH2-CG 4.22Å; W149-M244 HydrophobicContact CH2-SD 4.18Å; W149-M244 HydrophobicContact CZ2-SD 4.01Å; W149-L258 HydrophobicContact CD2-CD1 4.06Å; W149-L258 HydrophobicContact CD2-CD2 4.14Å; W149-L258 HydrophobicContact CE3-CD1 3.4Å; W149-L258 VanDerWaalsContact CE3-CD1 3.4Å; W149-L258 HydrophobicContact CE3-CD2 3.88Å; W149-L258 HydrophobicContact CE3-CG 4.31Å; W149-L258 HydrophobicContact CH2-CD2 3.71Å; W149-L258 HydrophobicContact CZ2-CD2 3.98Å; W149-L258 HydrophobicContact CZ3-CD1 3.72Å; W149-L258 HydrophobicContact CZ3-CD2 3.65Å; W149-L258 HydrophobicContact CZ3-CG 4.34Å; W149-D262 HydrophobicContact CH2-CB 3.98Å; W149-D262 HydrophobicContact CZ3-CB 4.12Å; W149-I266 HydrophobicContact CE3-CB 3.93Å; W149-I266 HydrophobicContact CE3-CD1 4.14Å; W149-I266 HydrophobicContact CE3-CG1 3.8Å; W149-I266 HydrophobicContact CE3-CG2 4.04Å; W149-I266 HydrophobicContact CZ3-CB 3.85Å; W149-I266 HydrophobicContact CZ3-CD1 4.44Å; W149-I266 HydrophobicContact CZ3-CG1 4.19Å; W149-I266 HydrophobicContact CZ3-CG2 4.06Å
150	S	94.8	Very high	93.8	Very high	19 Å²	19	38.7 Å²	38.7	13%	0.133	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-17.6	179.7	55.8	0	0	0	0	114	L146 Q147 A152 L155 R273	L146-S150 PolarHBondContact O-N 3.2Å; L146-S150 PolarHBondContact O-OG 2.97Å; Q147-S150 WeakPolarHBondContact CA-OG 3.42Å; Q147-S150 PolarHBondContact O-N 3.11Å; Q147-S150 PolarHBondContact O-OG 2.84Å; S150-A152 VanDerWaalsContact C-N 3.3Å; S150-A152 PolarHBondContact O-N 2.62Å; S150-L155 WeakPolarHBondContact CB-O 3.32Å; S150-R273 PolarHBondContact O-NH1 2.82Å
151	S	91.7	Very high	93.4	Very high	80 Å²	80	40.2 Å²	40.2	56%	0.559	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-28	172.3	79.4	0	0	0	0	113.5	Q147 A148 W149	Q147-S151 WeakPolarHBondContact O-CB 3.39Å; Q147-S151 PolarHBondContact O-N 2.87Å; A148-S151 PolarHBondContact O-OG 3.29Å; W149-S151 PolarHBondContact O-N 2.91Å
152	A	93.2	Very high	92.6	Very high	12 Å²	12	44.6 Å²	44.6	10%	0.099	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-24.3	-174.7	0	0	0	0	0	114	W149 S150 L258 I266 Q267 R273	W149-A152 PolarHBondContact O-N 2.98Å; S150-A152 VanDerWaalsContact C-N 3.3Å; S150-A152 PolarHBondContact O-N 2.62Å; A152-L258 HydrophobicContact CB-CD1 4.03Å; A152-I266 HydrophobicContact CB-CG2 4.28Å; A152-Q267 PolarHBondContact O-NE2 3.26Å; A152-R273 PolarHBondContact O-N 3.44Å
153	V	94.3	Very high	91.9	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-132.6	160.5	-172.5	-64.4	0	0	0	0	111.9	W149 L155 I266 Q267 G271	W149-V153 WeakPolarHBondContact O-CG2 3.4Å; W149-V153 PolarHBondContact O-N 3.27Å; V153-L155 HydrophobicContact CG2-CB 4.06Å; V153-L155 HydrophobicContact CG2-CD1 3.86Å; V153-L155 HydrophobicContact CG2-CG 3.77Å; V153-L155 PolarHBondContact O-N 3.48Å; V153-I266 HydrophobicContact CG1-CB 4.23Å; V153-I266 HydrophobicContact CG1-CG1 3.83Å; V153-I266 HydrophobicContact CG1-CG2 3.71Å; V153-I266 HydrophobicContact CG2-CG1 4.1Å; V153-Q267 HydrophobicContact CG1-CG 3.89Å; V153-G271 WeakPolarHBondContact CG1-O 3.33Å
154	P	94.8	Very high	91.3	Very high	44 Å²	44	48.8 Å²	48.8	29%	0.286	28%	0.281	S	S	.	.	S	Bend	trans	-77.7	39.5	-178.8	34.7	-38.4	0	0	0	113.3	N120 Y270 G271	N120-P154 WeakPolarHBondContact CB-O 3.49Å; P154-Y270 WeakPolarHBondContact CD-O 3.23Å; P154-Y270 WeakPolarHBondContact CG-O 3.21Å; P154-G271 WeakPolarHBondContact CD-O 3.43Å
155	L	95.2	Very high	91.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.278	C	S	.	.			trans	-94.8	144.2	173.6	-63.3	-178.8	0	0	0	110.8	N120 L122 S150 V153 F157 L232 Y270	N120-L155 HydrophobicContact CB-CD2 4.35Å; N120-L155 CarbonylContact O-C 3.53Å; N120-L155 WeakPolarHBondContact O-CA 3.49Å; L122-L155 HydrophobicContact CD1-CD1 4.36Å; S150-L155 WeakPolarHBondContact CB-O 3.32Å; V153-L155 HydrophobicContact CG2-CB 4.06Å; V153-L155 HydrophobicContact CG2-CD1 3.86Å; V153-L155 HydrophobicContact CG2-CG 3.77Å; V153-L155 PolarHBondContact O-N 3.48Å; L155-F157 HydrophobicContact CB-CE2 4.23Å; L155-F157 HydrophobicContact CB-CZ 4.18Å; L155-F157 HydrophobicContact CD1-CZ 4.25Å; L155-L232 HydrophobicContact CD1-CD1 4.38Å; L155-L232 HydrophobicContact CD1-CD2 3.61Å; L155-Y270 HydrophobicContact CD1-CD1 4.06Å; L155-Y270 HydrophobicContact CD1-CD2 4.03Å; L155-Y270 HydrophobicContact CD1-CE1 4.01Å; L155-Y270 HydrophobicContact CD1-CE2 3.99Å; L155-Y270 HydrophobicContact CD1-CG 4.05Å; L155-Y270 HydrophobicContact CD2-CD1 3.73Å; L155-Y270 HydrophobicContact CD2-CE1 3.9Å; L155-Y270 HydrophobicContact CD2-CG 4.34Å; L155-Y270 HydrophobicContact CG-CD1 4.12Å; L155-Y270 HydrophobicContact CG-CE1 4.42Å; L155-Y270 HydrophobicContact CG-CG 4.24Å
156	S	92.8	Very high	90.8	Very high	55 Å²	55	49 Å²	49	39%	0.385	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.7	173.8	-66.6	0	0	0	0	109	N120 I121 L122	N120-S156 PolarHBondContact O-N 3.42Å; I121-S156 WeakPolarHBondContact CA-O 3.41Å; L122-S156 PolarHBondContact N-O 2.74Å
157	F	95.7	Very high	90.7	Very high	35 Å²	35	48.8 Å²	48.8	15%	0.154	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.4	-179.3	-60	-80.2	0	0	0	110.2	L122 Y124 L146 W149 L155 I167 L232	L122-F157 HydrophobicContact CB-CD1 3.91Å; L122-F157 HydrophobicContact CB-CE1 4.09Å; L122-F157 HydrophobicContact CD1-CD1 4.39Å; L122-F157 HydrophobicContact CD1-CE1 3.71Å; L122-F157 HydrophobicContact CD1-CZ 4.46Å; L122-F157 HydrophobicContact CG-CE1 4.44Å; L122-F157 CarbonylContact O-C 3.2Å; L122-F157 VanDerWaalsContact O-CA 3.31Å; L122-F157 WeakPolarHBondContact O-CA 3.18Å; Y124-F157 HydrophobicContact CD1-CB 4.03Å; Y124-F157 HydrophobicContact CE1-CB 4.12Å; L146-F157 HydrophobicContact CB-CB 4.24Å; L146-F157 HydrophobicContact CB-CD1 4.44Å; L146-F157 HydrophobicContact CB-CD2 3.76Å; L146-F157 HydrophobicContact CB-CE2 4.2Å; L146-F157 HydrophobicContact CB-CG 3.89Å; L146-F157 HydrophobicContact CD1-CB 4.14Å; L146-F157 HydrophobicContact CD1-CD1 4.36Å; L146-F157 HydrophobicContact CD1-CG 4.25Å; L146-F157 HydrophobicContact CD2-CD1 3.75Å; L146-F157 HydrophobicContact CD2-CD2 4.41Å; L146-F157 HydrophobicContact CD2-CE1 3.74Å; L146-F157 HydrophobicContact CD2-CE2 4.41Å; L146-F157 HydrophobicContact CD2-CG 4.09Å; L146-F157 HydrophobicContact CD2-CZ 4.09Å; L146-F157 HydrophobicContact CG-CD1 4.4Å; L146-F157 HydrophobicContact CG-CG 4.3Å; L146-F157 WeakPolarHBondContact O-CD2 3.19Å; L146-F157 VanDerWaalsContact O-CE2 3.25Å; L146-F157 WeakPolarHBondContact O-CE2 3.27Å; W149-F157 HydrophobicContact CB-CE2 4.47Å; L155-F157 HydrophobicContact CB-CE2 4.23Å; L155-F157 HydrophobicContact CB-CZ 4.18Å; L155-F157 HydrophobicContact CD1-CZ 4.25Å; F157-I167 HydrophobicContact CE1-CD1 4.27Å; F157-L232 HydrophobicContact CE1-CD2 4.05Å; F157-L232 HydrophobicContact CZ-CD1 4.03Å; F157-L232 HydrophobicContact CZ-CD2 3.97Å
158	V	88.6	Confident	90.8	Very high	68 Å²	68	44.6 Å²	44.6	41%	0.412	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.1	-177.9	-179.9	0	0	0	0	109.3	I121 L122 T123 Y124	I121-V158 HydrophobicContact CG2-CG2 3.89Å; L122-V158 PolarHBondContact O-N 2.73Å; T123-V158 CarbonylContact C-O 3.56Å; T123-V158 WeakPolarHBondContact CA-O 3.37Å; Y124-V158 PolarHBondContact N-O 3.31Å
159	R	92.1	Very high	91	Very high	95 Å²	95	44.2 Å²	44.2	36%	0.358	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.3	175.2	-168.9	173.3	174	-80.5	-5.2	110.1	Y124 E139 N161	Y124-R159 HydrophobicContact CD1-CB 4.45Å; Y124-R159 HydrophobicContact CD2-CG 4.49Å; Y124-R159 HydrophobicContact CE1-CB 3.79Å; Y124-R159 HydrophobicContact CE2-CB 4.05Å; Y124-R159 HydrophobicContact CE2-CG 3.91Å; Y124-R159 WeakPolarHBondContact O-CA 3.2Å; E139-R159 IonicContact OE1-CZ 3.31Å; E139-R159 VanDerWaalsContact OE1-CZ 3.31Å; E139-R159 IonicContact OE1-NE 3.47Å; E139-R159 PolarHBondContact OE1-NE 2.8Å; E139-R159 IonicContact OE1-NH2 3.16Å; E139-R159 PolarHBondContact OE1-NH2 3.19Å; E139-R159 WeakPolarHBondContact OE2-CD 3.26Å; E139-R159 IonicContact OE2-CZ 3.67Å; E139-R159 IonicContact OE2-NE 3.47Å; E139-R159 PolarHBondContact OE2-NE 2.93Å; E139-R159 IonicContact OE2-NH2 3.52Å; R159-N161 PolarHBondContact NH1-OD1 2.99Å
160	I	84.9	Confident	91	Very high	40 Å²	40	44.5 Å²	44.5	21%	0.205	26%	0.263	C	S	.	.			trans	-114.1	150	169.2	67.6	173.9	0	0	0	110.7	T123 Y124 R125 S162 E164 A165	T123-I160 HydrophobicContact CG2-CG2 3.82Å; Y124-I160 PolarHBondContact O-N 2.97Å; R125-I160 HydrophobicContact CB-CG1 4.01Å; I160-S162 WeakPolarHBondContact CD1-O 3.43Å; I160-E164 WeakPolarHBondContact CD1-O 3.35Å; I160-A165 HydrophobicContact CD1-CB 3.64Å; I160-A165 HydrophobicContact CG1-CB 3.95Å
161	N	81.9	Confident	91.1	Very high	122 Å²	122	43.6 Å²	43.6	65%	0.652	26%	0.256	S	S	*	.	S	Bend	trans	-96.2	-20.4	-175.2	-68.5	-43.1	0	0	0	113.6	R125 R159	R125-N161 PolarHBondContact NE-O 2.87Å; R159-N161 PolarHBondContact NH1-OD1 2.99Å
162	S	79.4	Confident	91.3	Very high	92 Å²	92	41.5 Å²	41.5	64%	0.643	24%	0.238	S	C	*	.	S	Bend	trans	-148.4	162.7	-175.6	58	0	0	0	0	110.2	I160	I160-S162 WeakPolarHBondContact CD1-O 3.43Å
163	G	83.1	Confident	91.3	Very high	50 Å²	50	44.8 Å²	44.8	52%	0.515	25%	0.254	S	S	.	.	S	Bend	trans	77.4	-170.6	-176.3	0	0	0	0	0	113.6	R125	R125-G163 WeakPolarHBondContact CD-O 3.48Å; R125-G163 PolarHBondContact NH1-O 2.89Å
164	E	82.2	Confident	91.1	Very high	151 Å²	151	46.2 Å²	46.2	71%	0.706	27%	0.269	S	S	*	.			trans	-91.5	134.8	179.3	-166.8	173.3	171.4	0	0	109.8	I160	I160-E164 WeakPolarHBondContact CD1-O 3.35Å
165	A	90.9	Very high	90.7	Very high	11 Å²	11	50.1 Å²	50.1	9%	0.091	29%	0.287	C	S	.	.			trans	-110.2	166.3	179.5	0	0	0	0	0	110	T123 R125 I160 I167 M168	T123-A165 WeakPolarHBondContact OG1-CA 3.33Å; R125-A165 HydrophobicContact CB-CB 3.85Å; I160-A165 HydrophobicContact CD1-CB 3.64Å; I160-A165 HydrophobicContact CG1-CB 3.95Å; A165-I167 PolarHBondContact O-N 3.4Å; A165-M168 HydrophobicContact CB-SD 3.72Å; A165-M168 PolarHBondContact N-SD 3.21Å
166	D	88.4	Confident	90.2	Very high	25 Å²	25	51.8 Å²	51.8	13%	0.134	30%	0.295	C	S	.	.	S	Bend	trans	-67.1	-26.3	172.5	-59.4	-55.8	0	0	0	113	W117 K119 L122 T123	W117-D166 HydrophobicContact CH2-CB 3.99Å; W117-D166 WeakPolarHBondContact CH2-O 3.19Å; W117-D166 HydrophobicContact CZ2-CB 4.2Å; W117-D166 WeakPolarHBondContact CZ2-O 3.27Å; W117-D166 HydrophobicContact CZ3-CB 4.32Å; K119-D166 WeakPolarHBondContact CE-OD1 3.23Å; K119-D166 WeakPolarHBondContact CE-OD2 3.45Å; K119-D166 IonicContact NZ-OD1 3.92Å; K119-D166 PolarHBondContact NZ-OD1 3.25Å; K119-D166 IonicContact NZ-OD2 3.24Å; K119-D166 PolarHBondContact NZ-OD2 3.43Å; L122-D166 WeakPolarHBondContact CA-OD2 3.39Å; L122-D166 HydrophobicContact CB-CB 4.48Å; L122-D166 HydrophobicContact CD2-CB 4.33Å; T123-D166 PolarHBondContact N-OD2 3.3Å; T123-D166 WeakPolarHBondContact O-CB 3.32Å; T123-D166 PolarHBondContact O-N 2.8Å; T123-D166 VanDerWaalsContact O-N 3.09Å; T123-D166 PolarHBondContact OG1-N 3.26Å; T123-D166 PolarHBondContact OG1-OD2 3.21Å
167	I	96.9	Very high	89.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	99.5	178.7	-60.6	175.7	0	0	0	107	T123 Y124 R125 L146 F157 A165 I169 G201 F228 A231	T123-I167 PolarHBondContact O-N 2.81Å; T123-I167 VanDerWaalsContact O-N 3.08Å; Y124-I167 VanDerWaalsContact CA-O 3.28Å; Y124-I167 WeakPolarHBondContact CA-O 3.48Å; R125-I167 PolarHBondContact N-O 2.84Å; L146-I167 HydrophobicContact CD2-CD1 4.49Å; F157-I167 HydrophobicContact CE1-CD1 4.27Å; A165-I167 PolarHBondContact O-N 3.4Å; I167-I169 HydrophobicContact CG2-CD1 4.38Å; I167-I169 HydrophobicContact CG2-CG1 4.05Å; I167-G201 WeakPolarHBondContact CG2-O 3.49Å; I167-F228 HydrophobicContact CG2-CD1 4.29Å; I167-F228 HydrophobicContact CG2-CE1 4.02Å; I167-A231 HydrophobicContact CD1-CB 4.28Å
168	M	94.7	Very high	88.3	Confident	30 Å²	30	51.5 Å²	51.5	15%	0.148	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.2	169.8	-57.8	-67.5	-73	0	0	109.7	R125 A165 D202 T203	R125-M168 HydrophobicContact CB-SD 4.02Å; A165-M168 HydrophobicContact CB-SD 3.72Å; A165-M168 PolarHBondContact N-SD 3.21Å; M168-D202 HydrophobicContact CB-CB 4.5Å; M168-D202 WeakPolarHBondContact CB-OD1 3.34Å; M168-D202 WeakPolarHBondContact CG-OD1 3.44Å; M168-D202 PolarHBondContact N-OD1 2.85Å; M168-D202 WeakPolarHBondContact O-CA 3.03Å; M168-T203 PolarHBondContact O-N 3.07Å
169	I	98.7	Very high	87.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.3	-177.3	-62.8	158.1	0	0	0	109	Y124 R125 V126 S127 V142 I167 T203 F205 F228	Y124-I169 HydrophobicContact CD2-CD1 4Å; R125-I169 PolarHBondContact O-N 3.09Å; V126-I169 CarbonylContact C-O 3.53Å; V126-I169 WeakPolarHBondContact CA-O 3.48Å; V126-I169 HydrophobicContact CG1-CG2 4.38Å; V126-I169 HydrophobicContact CG2-CB 4.2Å; V126-I169 HydrophobicContact CG2-CD1 4.27Å; V126-I169 HydrophobicContact CG2-CG2 4.22Å; S127-I169 PolarHBondContact N-O 3.03Å; S127-I169 PolarHBondContact OG-O 3.06Å; V142-I169 HydrophobicContact CG1-CD1 3.54Å; V142-I169 HydrophobicContact CG2-CD1 4.18Å; V142-I169 HydrophobicContact CG2-CG2 4.5Å; I167-I169 HydrophobicContact CG2-CD1 4.38Å; I167-I169 HydrophobicContact CG2-CG1 4.05Å; I169-T203 WeakPolarHBondContact CA-O 3.25Å; I169-F205 HydrophobicContact CG2-CD2 4.11Å; I169-F205 HydrophobicContact CG2-CE2 3.71Å; I169-F228 HydrophobicContact CD1-CE1 3.84Å; I169-F228 HydrophobicContact CD1-CZ 3.54Å; I169-F228 HydrophobicContact CG1-CE1 3.92Å; I169-F228 HydrophobicContact CG1-CZ 4.07Å
170	S	96.3	Very high	87.2	Confident	5 Å²	5	52 Å²	52	4%	0.035	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.7	179.8	62	0	0	0	0	112.4	E172 T203 H204 F205	S170-E172 WeakPolarHBondContact CB-OE1 3.35Å; S170-T203 PolarHBondContact N-O 3.4Å; S170-T203 VanDerWaalsContact N-O 3.14Å; S170-H204 WeakPolarHBondContact O-CA 3.48Å; S170-H204 PolarHBondContact OG-CD2 2.86Å; S170-F205 PolarHBondContact O-N 3.18Å
171	F	98.4	Very high	87.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.8	171.4	-69.5	-100.8	0	0	0	108.6	K128 T130 V138 F205 N207 W211 L220	K128-F171 VanDerWaalsContact CD-O 3.24Å; K128-F171 WeakPolarHBondContact CD-O 3.34Å; K128-F171 WeakPolarHBondContact CE-O 3.34Å; K128-F171 VanDerWaalsContact O-CD2 3.29Å; K128-F171 WeakPolarHBondContact O-CD2 3.2Å; K128-F171 PolarHBondContact O-N 3.08Å; T130-F171 HydrophobicContact CG2-CD1 4.01Å; T130-F171 HydrophobicContact CG2-CE1 3.76Å; T130-F171 HydrophobicContact CG2-CG 4.47Å; T130-F171 HydrophobicContact CG2-CZ 4.02Å; V138-F171 HydrophobicContact CG1-CE2 3.76Å; V138-F171 HydrophobicContact CG1-CZ 4.08Å; V138-F171 HydrophobicContact CG2-CE2 4.47Å; V138-F171 HydrophobicContact CG2-CZ 4.34Å; F171-F205 CarbonylContact C-O 3.57Å; F171-F205 WeakPolarHBondContact CA-O 3.43Å; F171-F205 HydrophobicContact CD1-CB 3.51Å; F171-F205 HydrophobicContact CD1-CG 4.3Å; F171-F205 HydrophobicContact CE1-CB 3.7Å; F171-F205 HydrophobicContact CE1-CD2 4.46Å; F171-F205 HydrophobicContact CE1-CG 4.04Å; F171-F205 HydrophobicContact CG-CB 4.11Å; F171-F205 HydrophobicContact CZ-CB 4.4Å; F171-F205 HydrophobicContact CZ-CD2 4.36Å; F171-F205 HydrophobicContact CZ-CG 4.34Å; F171-N207 HydrophobicContact CB-CB 3.98Å; F171-W211 AromaticContact CD1-CD1 3.81Å; F171-W211 HydrophobicContact CD1-CG 4.46Å; F171-W211 AromaticContact CD1-NE1 3.62Å; F171-W211 AromaticContact CE1-CD1 3.69Å; F171-W211 HydrophobicContact CE1-CD2 4.07Å; F171-W211 AromaticContact CE1-CE2 3.98Å; F171-W211 AromaticContact CE1-CG 3.9Å; F171-W211 HydrophobicContact CE1-CG 3.9Å; F171-W211 AromaticContact CE1-NE1 3.72Å; F171-L220 HydrophobicContact CE1-CD1 3.88Å; F171-L220 HydrophobicContact CE1-CD2 4.47Å; F171-L220 HydrophobicContact CZ-CD1 3.66Å; F171-L220 HydrophobicContact CZ-CD2 3.77Å; F171-L220 HydrophobicContact CZ-CG 4.38Å
172	E	95.2	Very high	87.5	Confident	37 Å²	37	47.9 Å²	47.9	17%	0.173	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	162.1	-169.8	-62.3	-58.2	159.3	0	0	112.3	K128 S170 H176 F182 F205 D206 N207	K128-E172 WeakPolarHBondContact CD-OE1 3.27Å; K128-E172 IonicContact NZ-OE1 3.61Å; K128-E172 IonicContact NZ-OE2 3.72Å; K128-E172 PolarHBondContact NZ-OE2 2.98Å; S170-E172 WeakPolarHBondContact CB-OE1 3.35Å; E172-H176 HydrophobicContact CB-CB 3.58Å; E172-H176 HydrophobicContact CG-CB 3.83Å; E172-F182 HydrophobicContact CB-CD2 4.41Å; E172-F182 HydrophobicContact CB-CE2 4.16Å; E172-F205 PolarHBondContact N-O 3.28Å; E172-D206 CarbonylContact O-C 3.59Å; E172-N207 WeakPolarHBondContact O-CB 3.35Å; E172-N207 PolarHBondContact O-N 3.44Å
173	N	93.3	Very high	88.1	Confident	81 Å²	81	47.9 Å²	47.9	43%	0.433	29%	0.291	S	S	.	.			trans	-125.4	137.8	177.8	-69.4	-66	0	0	0	109.4	D175 A208	N173-D175 PolarHBondContact O-N 3.05Å; N173-A208 PolarHBondContact OD1-N 3.26Å; N173-A208 VanDerWaalsContact OD1-N 3.14Å
174	G	89.2	Confident	88.4	Confident	30 Å²	30	46.3 Å²	46.3	31%	0.309	28%	0.275	S	S	.	.	S	Bend	trans	54.3	-133.8	171.5	0	0	0	0	0	112.6	H176 P181 F182	G174-H176 PolarHBondContact O-ND1 3Å; G174-P181 CarbonylContact O-C 3.48Å; G174-P181 VanDerWaalsContact O-CA 3.24Å; G174-P181 WeakPolarHBondContact O-CA 3.32Å; G174-F182 PolarHBondContact O-N 3.49Å
175	D	86.4	Confident	88.9	Confident	126 Å²	126	43.8 Å²	43.8	67%	0.674	27%	0.271	S	S	*	.			trans	-73.3	123.8	171.4	-171.9	4	0	0	0	111	N173 G177 P181	N173-D175 PolarHBondContact O-N 3.05Å; D175-G177 PolarHBondContact OD1-N 2.91Å; D175-P181 HydrophobicContact CB-CB 4.21Å
176	H	84.6	Confident	88.6	Confident	34 Å²	34	51.9 Å²	51.9	16%	0.157	30%	0.3	C	S	.	.			trans	-133.5	24.5	-173.7	54.1	-83.8	0	0	0	112.9	E172 G174 D178 Y180 F182 H191 H204	E172-H176 HydrophobicContact CB-CB 3.58Å; E172-H176 HydrophobicContact CG-CB 3.83Å; G174-H176 PolarHBondContact O-ND1 3Å; H176-D178 IonicContact CD2-OD1 2.83Å; H176-D178 IonicContact CD2-OD2 3.48Å; H176-D178 PolarHBondContact CD2-OD2 2.77Å; H176-D178 IonicContact CE1-OD1 3.24Å; H176-D178 IonicContact NE2-OD1 2.69Å; H176-D178 PolarHBondContact NE2-OD1 3.47Å; H176-D178 IonicContact NE2-OD2 3.4Å; H176-D178 PolarHBondContact NE2-OD2 3.47Å; H176-D178 VanDerWaalsContact NE2-OD2 3.1Å; H176-Y180 PolarHBondContact CE1-O 3.17Å; H176-F182 AromaticContact CE1-CD2 3.47Å; H176-F182 VanDerWaalsContact CE1-CD2 3.47Å; H176-F182 WeakPolarHBondContact CE1-CD2 3.29Å; H176-F182 AromaticContact CE1-CE2 3.46Å; H176-F182 VanDerWaalsContact CE1-CE2 3.46Å; H176-F182 WeakPolarHBondContact CE1-CE2 3.35Å; H176-F182 AromaticContact ND1-CD2 3.82Å; H176-F182 AromaticContact NE2-CE2 3.8Å; H176-H191 AromaticContact CE1-CE1 3.65Å; H176-H191 AromaticContact NE2-CE1 3.34Å; H176-H191 PolarHBondContact NE2-CE1 2.74Å; H176-H191 VanDerWaalsContact NE2-CE1 3.34Å; H176-H191 AromaticContact NE2-NE2 3.46Å; H176-H191 PolarHBondContact NE2-NE2 3.49Å; H176-H204 AromaticContact CD2-ND1 3.35Å; H176-H204 PolarHBondContact CD2-ND1 3.15Å; H176-H204 AromaticContact NE2-CG 3.9Å; H176-H204 AromaticContact NE2-ND1 3.26Å; H176-H204 PolarHBondContact NE2-ND1 3.31Å
177	G	75.6	Confident	88.8	Confident	73 Å²	73	51.7 Å²	51.7	75%	0.753	30%	0.304	S	S	*	.	S	Bend	trans	88.6	4.5	164.4	0	0	0	0	0	116.1	D175	D175-G177 PolarHBondContact OD1-N 2.91Å
178	D	73.3	Confident	88.7	Confident	12 Å²	12	51.7 Å²	51.7	6%	0.064	30%	0.304	C	S	.	.	S	Bend	trans	-110	5.5	179.9	71.7	-0.5	0	0	0	114.1	H176 Y180 H191 F193 L199 H204	H176-D178 IonicContact CD2-OD1 2.83Å; H176-D178 IonicContact CD2-OD2 3.48Å; H176-D178 PolarHBondContact CD2-OD2 2.77Å; H176-D178 IonicContact CE1-OD1 3.24Å; H176-D178 IonicContact NE2-OD1 2.69Å; H176-D178 PolarHBondContact NE2-OD1 3.47Å; H176-D178 IonicContact NE2-OD2 3.4Å; H176-D178 PolarHBondContact NE2-OD2 3.47Å; H176-D178 VanDerWaalsContact NE2-OD2 3.1Å; D178-Y180 VanDerWaalsContact C-N 3.27Å; D178-Y180 WeakPolarHBondContact O-CD2 3.45Å; D178-Y180 PolarHBondContact O-N 3.31Å; D178-Y180 PolarHBondContact OD1-N 3.34Å; D178-H191 IonicContact OD2-CD2 2.89Å; D178-H191 IonicContact OD2-CE1 3.53Å; D178-H191 PolarHBondContact OD2-CE1 3.32Å; D178-H191 IonicContact OD2-NE2 2.72Å; D178-H191 PolarHBondContact OD2-NE2 3.33Å; D178-F193 HydrophobicContact CB-CE2 4.32Å; D178-F193 HydrophobicContact CB-CZ 3.88Å; D178-L199 HydrophobicContact CB-CD1 4.09Å; D178-H204 IonicContact OD2-CE1 3.58Å; D178-H204 PolarHBondContact OD2-CE1 3.48Å; D178-H204 VanDerWaalsContact OD2-CE1 3.24Å; D178-H204 IonicContact OD2-ND1 3.76Å; D178-H204 PolarHBondContact OD2-ND1 2.99Å
179	S	78.9	Confident	88.9	Confident	92 Å²	92	50.4 Å²	50.4	64%	0.643	30%	0.298	S	S	*	.	S	Bend	trans	70.1	8.2	-175.8	-50.4	0	0	0	0	116.3	P181	S179-P181 WeakPolarHBondContact O-CD 3.46Å
180	Y	78.6	Confident	88.9	Confident	81 Å²	81	50.4 Å²	50.4	32%	0.318	30%	0.298	S	S	.	.			trans	-120.9	70	177.4	-63.2	-82.4	0	0	0	111.3	H176 D178 H191 F193	H176-Y180 PolarHBondContact CE1-O 3.17Å; D178-Y180 VanDerWaalsContact C-N 3.27Å; D178-Y180 WeakPolarHBondContact O-CD2 3.45Å; D178-Y180 PolarHBondContact O-N 3.31Å; D178-Y180 PolarHBondContact OD1-N 3.34Å; Y180-H191 PolarHBondContact O-CE1 3.39Å; Y180-F193 HydrophobicContact CD2-CE1 4.06Å; Y180-F193 HydrophobicContact CD2-CZ 4.05Å; Y180-F193 AromaticContact CE2-CE1 3.96Å; Y180-F193 HydrophobicContact CE2-CE1 3.96Å; Y180-F193 HydrophobicContact CE2-CZ 4.4Å
181	P	82.5	Confident	88.7	Confident	63 Å²	63	50.7 Å²	50.7	41%	0.409	30%	0.298	S	S	.	.			trans	-63	143.5	-175.3	27	-35.9	0	0	0	113.1	G174 D175 S179	G174-P181 CarbonylContact O-C 3.48Å; G174-P181 VanDerWaalsContact O-CA 3.24Å; G174-P181 WeakPolarHBondContact O-CA 3.32Å; D175-P181 HydrophobicContact CB-CB 4.21Å; S179-P181 WeakPolarHBondContact O-CD 3.46Å
182	F	91.3	Very high	88.5	Confident	13 Å²	13	51.1 Å²	51.1	6%	0.057	30%	0.302	C	S	.	.			trans	-73.8	155.2	169.3	-69.7	-51.5	0	0	0	112.1	E172 G174 H176 T188 H191 H204 D206	E172-F182 HydrophobicContact CB-CD2 4.41Å; E172-F182 HydrophobicContact CB-CE2 4.16Å; G174-F182 PolarHBondContact O-N 3.49Å; H176-F182 AromaticContact CE1-CD2 3.47Å; H176-F182 VanDerWaalsContact CE1-CD2 3.47Å; H176-F182 WeakPolarHBondContact CE1-CD2 3.29Å; H176-F182 AromaticContact CE1-CE2 3.46Å; H176-F182 VanDerWaalsContact CE1-CE2 3.46Å; H176-F182 WeakPolarHBondContact CE1-CE2 3.35Å; H176-F182 AromaticContact ND1-CD2 3.82Å; H176-F182 AromaticContact NE2-CE2 3.8Å; F182-T188 HydrophobicContact CD1-CG2 3.81Å; F182-T188 HydrophobicContact CE1-CG2 3.95Å; F182-H191 AromaticContact CE1-ND1 3.65Å; F182-H191 AromaticContact CZ-CE1 3.93Å; F182-H191 AromaticContact CZ-ND1 3.9Å; F182-H204 HydrophobicContact CE2-CB 4.06Å; F182-H204 HydrophobicContact CZ-CB 3.87Å; F182-H204 WeakPolarHBondContact CZ-O 3.45Å; F182-D206 HydrophobicContact CB-CB 4.06Å; F182-D206 WeakPolarHBondContact CB-OD2 3.49Å; F182-D206 HydrophobicContact CD1-CB 3.81Å; F182-D206 HydrophobicContact CD2-CB 3.8Å; F182-D206 HydrophobicContact CE1-CB 4.23Å; F182-D206 HydrophobicContact CE2-CB 4.2Å; F182-D206 HydrophobicContact CG-CB 3.62Å; F182-D206 HydrophobicContact CZ-CB 4.42Å
183	D	91.2	Very high	87.9	Confident	91 Å²	91	51 Å²	51	49%	0.487	30%	0.301	S	S	.	.			trans	-105.4	1.8	-172.9	50.7	16	0	0	0	113.8	K47 T188	K47-D183 IonicContact NZ-OD2 3.67Å; D183-T188 WeakPolarHBondContact OD1-CB 3.38Å; D183-T188 PolarHBondContact OD1-N 3.35Å; D183-T188 PolarHBondContact OD2-N 2.69Å; D183-T188 PolarHBondContact OD2-OG1 3.44Å
184	G	90.1	Very high	87.3	Confident	18 Å²	18	47.7 Å²	47.7	19%	0.186	29%	0.285	C	S	.	.			trans	84.4	-162.8	-177.3	0	0	0	0	0	112	D206	G184-D206 WeakPolarHBondContact CA-OD2 3.15Å; G184-D206 PolarHBondContact N-OD2 3.19Å
185	P	92.9	Very high	87.2	Confident	97 Å²	97	46.8 Å²	46.8	63%	0.63	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	139.4	-163.6	-25	33.7	0	0	0	115.8	G187 A208	P185-G187 VanDerWaalsContact C-N 3.3Å; P185-G187 PolarHBondContact O-N 3.08Å; P185-A208 HydrophobicContact CG-CB 4.33Å
186	R	84.8	Confident	86.9	Confident	181 Å²	181	42.3 Å²	42.3	68%	0.683	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	10.6	171.2	-50.7	176.7	67.6	107.4	1.9	116.3	P98 E209 F218	P98-R186 WeakPolarHBondContact CB-O 3.37Å; P98-R186 WeakPolarHBondContact CG-O 3.25Å; R186-E209 WeakPolarHBondContact CA-OE1 3.12Å; R186-E209 VanDerWaalsContact N-CD 3.25Å; R186-E209 PolarHBondContact N-OE1 2.83Å; R186-E209 PolarHBondContact N-OE2 2.82Å; R186-E209 VanDerWaalsContact N-OE2 3.09Å; R186-F218 HydrophobicContact CG-CE2 4.37Å; R186-F218 HydrophobicContact CG-CZ 4.49Å
187	G	91.7	Very high	86.4	Confident	22 Å²	22	50 Å²	50	23%	0.227	29%	0.293	C	S	.	.	S	Bend	trans	-99.9	-101.5	178	0	0	0	0	0	111.6	P98 R99 P185	P98-G187 WeakPolarHBondContact CA-O 3.39Å; R99-G187 PolarHBondContact N-O 3.13Å; P185-G187 VanDerWaalsContact C-N 3.3Å; P185-G187 PolarHBondContact O-N 3.08Å
188	T	95.3	Very high	86.5	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-85.9	113.7	177.5	-56.9	0	0	0	0	109.8	K47 Y48 F182 D183 D206	K47-T188 PolarHBondContact NZ-OG1 2.81Å; Y48-T188 PolarHBondContact OH-OG1 3.01Å; F182-T188 HydrophobicContact CD1-CG2 3.81Å; F182-T188 HydrophobicContact CE1-CG2 3.95Å; D183-T188 WeakPolarHBondContact OD1-CB 3.38Å; D183-T188 PolarHBondContact OD1-N 3.35Å; D183-T188 PolarHBondContact OD2-N 2.69Å; D183-T188 PolarHBondContact OD2-OG1 3.44Å; T188-D206 WeakPolarHBondContact O-CB 3.4Å
189	L	98.3	Very high	86.6	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	30%	0.299	C	S	.	.			trans	-80.6	-38.7	-174.2	-59	-176.2	0	0	0	113.3	P98 R99 D206 E209 W211 F218 V223 Y248	P98-L189 HydrophobicContact CB-CD1 4.1Å; P98-L189 HydrophobicContact CB-CD2 3.96Å; P98-L189 HydrophobicContact CB-CG 4.1Å; R99-L189 PolarHBondContact O-N 3.42Å; L189-D206 PolarHBondContact O-N 3.34Å; L189-E209 HydrophobicContact CD2-CG 3.96Å; L189-E209 WeakPolarHBondContact CD2-OE1 3.34Å; L189-W211 HydrophobicContact CB-CH2 4.2Å; L189-W211 WeakPolarHBondContact O-CH2 3.42Å; L189-W211 VanDerWaalsContact O-CZ2 3.24Å; L189-W211 WeakPolarHBondContact O-CZ2 3.33Å; L189-F218 HydrophobicContact CD1-CD1 3.47Å; L189-F218 VanDerWaalsContact CD1-CD1 3.47Å; L189-F218 HydrophobicContact CD1-CE1 3.76Å; L189-F218 HydrophobicContact CD1-CG 4.07Å; L189-F218 HydrophobicContact CD2-CD1 3.7Å; L189-F218 HydrophobicContact CD2-CD2 3.68Å; L189-F218 HydrophobicContact CD2-CE1 3.66Å; L189-F218 HydrophobicContact CD2-CE2 3.62Å; L189-F218 HydrophobicContact CD2-CG 3.72Å; L189-F218 HydrophobicContact CD2-CZ 3.61Å; L189-F218 HydrophobicContact CG-CD1 4.26Å; L189-F218 HydrophobicContact CG-CE1 4.34Å; L189-V223 HydrophobicContact CB-CG1 4.23Å; L189-V223 HydrophobicContact CB-CG2 4.42Å; L189-V223 HydrophobicContact CD1-CG2 3.92Å; L189-Y248 HydrophobicContact CD1-CD2 3.73Å; L189-Y248 HydrophobicContact CD1-CG 3.78Å
190	A	98.4	Very high	86.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	169.2	-174.7	0	0	0	0	0	109.4	G101 H204 F205 V223 E227	G101-A190 WeakPolarHBondContact CA-O 3.43Å; G101-A190 PolarHBondContact N-O 2.86Å; A190-H204 CarbonylContact C-O 3.56Å; A190-H204 WeakPolarHBondContact CA-O 3.13Å; A190-H204 WeakPolarHBondContact CB-O 3.35Å; A190-F205 HydrophobicContact CB-CD1 3.73Å; A190-F205 HydrophobicContact CB-CE1 4.17Å; A190-F205 HydrophobicContact CB-CG 4.27Å; A190-V223 HydrophobicContact CB-CG1 3.47Å; A190-V223 VanDerWaalsContact CB-CG1 3.47Å; A190-E227 HydrophobicContact CB-CG 3.58Å
191	H	93.6	Very high	86.8	Confident	10 Å²	10	44.3 Å²	44.3	5%	0.046	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	161	162.7	58.4	-125.7	0	0	0	110.3	V102 H176 D178 Y180 F182 H204 E227	V102-H191 HydrophobicContact CG2-CB 4.15Å; H176-H191 AromaticContact CE1-CE1 3.65Å; H176-H191 AromaticContact NE2-CE1 3.34Å; H176-H191 PolarHBondContact NE2-CE1 2.74Å; H176-H191 VanDerWaalsContact NE2-CE1 3.34Å; H176-H191 AromaticContact NE2-NE2 3.46Å; H176-H191 PolarHBondContact NE2-NE2 3.49Å; D178-H191 IonicContact OD2-CD2 2.89Å; D178-H191 IonicContact OD2-CE1 3.53Å; D178-H191 PolarHBondContact OD2-CE1 3.32Å; D178-H191 IonicContact OD2-NE2 2.72Å; D178-H191 PolarHBondContact OD2-NE2 3.33Å; Y180-H191 PolarHBondContact O-CE1 3.39Å; F182-H191 AromaticContact CE1-ND1 3.65Å; F182-H191 AromaticContact CZ-CE1 3.93Å; F182-H191 AromaticContact CZ-ND1 3.9Å; H191-H204 AromaticContact CD2-ND1 3.98Å; H191-H204 PolarHBondContact N-O 2.98Å; H191-H204 AromaticContact NE2-CG 3.81Å; H191-H204 AromaticContact NE2-ND1 3.29Å; H191-H204 PolarHBondContact NE2-ND1 2.92Å; H191-H204 PolarHBondContact O-N 2.82Å; H191-E227 VanDerWaalsContact C-OE2 3.26Å; H191-E227 WeakPolarHBondContact CA-OE2 3.29Å
192	A	93.4	Very high	87.2	Confident	9 Å²	9	42.1 Å²	42.1	7%	0.074	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.3	169.7	0	0	0	0	0	111.9	D202 T203 E227 H230 A231	A192-D202 CarbonylContact C-O 3.47Å; A192-D202 VanDerWaalsContact CA-O 3.23Å; A192-D202 WeakPolarHBondContact CA-O 3.49Å; A192-T203 HydrophobicContact CB-CG2 4.12Å; A192-E227 HydrophobicContact CB-CB 3.96Å; A192-E227 VanDerWaalsContact CB-O 3.29Å; A192-E227 WeakPolarHBondContact CB-O 3.45Å; A192-E227 PolarHBondContact N-OE2 3.34Å; A192-H230 HydrophobicContact CB-CB 3.95Å; A192-A231 HydrophobicContact CB-CB 4.46Å
193	F	82.1	Confident	87.5	Confident	35 Å²	35	41.5 Å²	41.5	15%	0.154	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-89.3	142.7	171.7	-62.2	-83.7	0	0	0	109.6	D178 Y180 L199 G201 D202 H204 A231	D178-F193 HydrophobicContact CB-CE2 4.32Å; D178-F193 HydrophobicContact CB-CZ 3.88Å; Y180-F193 HydrophobicContact CD2-CE1 4.06Å; Y180-F193 HydrophobicContact CD2-CZ 4.05Å; Y180-F193 AromaticContact CE2-CE1 3.96Å; Y180-F193 HydrophobicContact CE2-CE1 3.96Å; Y180-F193 HydrophobicContact CE2-CZ 4.4Å; F193-L199 WeakPolarHBondContact CB-O 3.17Å; F193-L199 HydrophobicContact CD2-CB 4.05Å; F193-L199 WeakPolarHBondContact CD2-O 3.34Å; F193-L199 HydrophobicContact CE2-CB 4.29Å; F193-L199 HydrophobicContact CE2-CD1 4.34Å; F193-L199 HydrophobicContact CG-CB 4.21Å; F193-L199 WeakPolarHBondContact CG-O 3.24Å; F193-L199 HydrophobicContact CZ-CD1 4.17Å; F193-G201 VanDerWaalsContact O-CA 3.24Å; F193-G201 WeakPolarHBondContact O-CA 3.22Å; F193-G201 PolarHBondContact O-N 3.3Å; F193-G201 VanDerWaalsContact O-N 3.08Å; F193-D202 HydrophobicContact CD2-CB 4.17Å; F193-D202 PolarHBondContact N-O 3.22Å; F193-H204 AromaticContact CE2-CE1 3.96Å; F193-A231 WeakPolarHBondContact O-CA 3.44Å
194	A	81.6	Confident	87.7	Confident	12 Å²	12	37.9 Å²	37.9	10%	0.099	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-71.4	169.3	176.1	0	0	0	0	0	112.3	F111 P115 G196 G200 G201 H230	F111-A194 HydrophobicContact CD1-CB 3.91Å; F111-A194 HydrophobicContact CD2-CB 3.42Å; F111-A194 VanDerWaalsContact CD2-CB 3.42Å; F111-A194 HydrophobicContact CE1-CB 3.61Å; F111-A194 WeakPolarHBondContact CE1-O 3.33Å; F111-A194 HydrophobicContact CE2-CB 3.11Å; F111-A194 HydrophobicContact CG-CB 3.83Å; F111-A194 VanDerWaalsContact CZ-C 3.48Å; F111-A194 HydrophobicContact CZ-CB 3.21Å; F111-A194 VanDerWaalsContact CZ-O 3.28Å; F111-A194 WeakPolarHBondContact CZ-O 3.25Å; P115-A194 HydrophobicContact CB-CB 4.29Å; P115-A194 HydrophobicContact CG-CB 4.14Å; A194-G196 PolarHBondContact O-N 2.99Å; A194-G200 CarbonylContact O-C 3.45Å; A194-G200 VanDerWaalsContact O-CA 3.23Å; A194-G200 WeakPolarHBondContact O-CA 3.21Å; A194-G201 PolarHBondContact O-N 3.35Å; A194-G201 VanDerWaalsContact O-N 3.09Å; A194-H230 VanDerWaalsContact CA-O 3.3Å; A194-H230 WeakPolarHBondContact CA-O 3.45Å
195	P	87.2	Confident	88.1	Confident	11 Å²	11	37 Å²	37	7%	0.071	21%	0.211	C	C	.	.	S	Bend	trans	-51.3	130.3	-175.5	-28.6	32.3	0	0	0	113.9	F111 W117 A231	F111-P195 VanDerWaalsContact CE1-O 3.31Å; F111-P195 WeakPolarHBondContact CE1-O 2.97Å; W117-P195 HydrophobicContact CD2-CB 3.85Å; W117-P195 HydrophobicContact CD2-CG 4.49Å; W117-P195 HydrophobicContact CE3-CB 4.46Å; W117-P195 HydrophobicContact CG-CB 4Å; W117-P195 HydrophobicContact CG-CG 4.28Å; W117-P195 HydrophobicContact CZ2-CB 4.21Å; P195-A231 WeakPolarHBondContact CD-O 3.45Å; P195-A231 WeakPolarHBondContact CG-O 3.28Å
196	G	79.2	Confident	88.4	Confident	32 Å²	32	32.4 Å²	32.4	33%	0.33	18%	0.181	S	C	.	.			trans	178.7	-174.1	-179	0	0	0	0	0	113.5	W117 A194	W117-G196 WeakPolarHBondContact CH2-O 3.48Å; A194-G196 PolarHBondContact O-N 2.99Å
197	E	73.9	Confident	89	Confident	195 Å²	195	25.2 Å²	25.2	91%	0.911	16%	0.156	S	C	*	.	S	Bend	trans	-85.7	161.9	170.7	-64	-176.7	171.4	0	0	110.8	L199 G200	E197-L199 PolarHBondContact O-N 2.78Å; E197-G200 PolarHBondContact O-N 3.2Å
198	G	77.6	Confident	89.3	Confident	52 Å²	52	26.1 Å²	26.1	54%	0.536	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	-119.1	-179.1	0	0	0	0	0	111.1	G200	G198-G200 PolarHBondContact O-N 3.35Å; G198-G200 VanDerWaalsContact O-N 3.15Å
199	L	75.7	Confident	89.4	Confident	77 Å²	77	26.5 Å²	26.5	40%	0.403	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-5.4	178.2	-62.1	177.8	0	0	0	113.6	D178 F193 E197 G201 D202	D178-L199 HydrophobicContact CB-CD1 4.09Å; F193-L199 WeakPolarHBondContact CB-O 3.17Å; F193-L199 HydrophobicContact CD2-CB 4.05Å; F193-L199 WeakPolarHBondContact CD2-O 3.34Å; F193-L199 HydrophobicContact CE2-CB 4.29Å; F193-L199 HydrophobicContact CE2-CD1 4.34Å; F193-L199 HydrophobicContact CG-CB 4.21Å; F193-L199 WeakPolarHBondContact CG-O 3.24Å; F193-L199 HydrophobicContact CZ-CD1 4.17Å; E197-L199 PolarHBondContact O-N 2.78Å; L199-G201 PolarHBondContact O-N 2.92Å; L199-D202 VanDerWaalsContact O-CB 3.3Å; L199-D202 WeakPolarHBondContact O-CB 3.46Å; L199-D202 PolarHBondContact O-N 3.25Å
200	G	79.8	Confident	89.3	Confident	9 Å²	9	31.5 Å²	31.5	9%	0.093	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	120.1	-177.6	0	0	0	0	0	112.3	W117 A194 E197 G198	W117-G200 WeakPolarHBondContact CH2-O 3.43Å; A194-G200 CarbonylContact O-C 3.45Å; A194-G200 VanDerWaalsContact O-CA 3.23Å; A194-G200 WeakPolarHBondContact O-CA 3.21Å; E197-G200 PolarHBondContact O-N 3.2Å; G198-G200 PolarHBondContact O-N 3.35Å; G198-G200 VanDerWaalsContact O-N 3.15Å
201	G	83.2	Confident	89.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	-19	-173.6	0	0	0	0	0	114.7	I167 F193 A194 L199 T203 A231	I167-G201 WeakPolarHBondContact CG2-O 3.49Å; F193-G201 VanDerWaalsContact O-CA 3.24Å; F193-G201 WeakPolarHBondContact O-CA 3.22Å; F193-G201 PolarHBondContact O-N 3.3Å; F193-G201 VanDerWaalsContact O-N 3.08Å; A194-G201 PolarHBondContact O-N 3.35Å; A194-G201 VanDerWaalsContact O-N 3.09Å; L199-G201 PolarHBondContact O-N 2.92Å; G201-T203 PolarHBondContact O-N 3.2Å; G201-T203 PolarHBondContact O-OG1 3.17Å; G201-A231 VanDerWaalsContact O-CB 3.32Å; G201-A231 WeakPolarHBondContact O-CB 3.36Å
202	D	89.9	Confident	89.4	Confident	17 Å²	17	32.1 Å²	32.1	9%	0.091	19%	0.19	C	C	.	.			trans	-63.1	140	-176.6	-72.2	-5.6	0	0	0	111.2	M168 A192 F193 L199	M168-D202 HydrophobicContact CB-CB 4.5Å; M168-D202 WeakPolarHBondContact CB-OD1 3.34Å; M168-D202 WeakPolarHBondContact CG-OD1 3.44Å; M168-D202 PolarHBondContact N-OD1 2.85Å; M168-D202 WeakPolarHBondContact O-CA 3.03Å; A192-D202 CarbonylContact C-O 3.47Å; A192-D202 VanDerWaalsContact CA-O 3.23Å; A192-D202 WeakPolarHBondContact CA-O 3.49Å; F193-D202 HydrophobicContact CD2-CB 4.17Å; F193-D202 PolarHBondContact N-O 3.22Å; L199-D202 VanDerWaalsContact O-CB 3.3Å; L199-D202 WeakPolarHBondContact O-CB 3.46Å; L199-D202 PolarHBondContact O-N 3.25Å
203	T	97.8	Very high	88.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	117.2	-173.2	-57.4	0	0	0	0	109.6	M168 I169 S170 A192 G201 F205 E227 F228	M168-T203 PolarHBondContact O-N 3.07Å; I169-T203 WeakPolarHBondContact CA-O 3.25Å; S170-T203 PolarHBondContact N-O 3.4Å; S170-T203 VanDerWaalsContact N-O 3.14Å; A192-T203 HydrophobicContact CB-CG2 4.12Å; G201-T203 PolarHBondContact O-N 3.2Å; G201-T203 PolarHBondContact O-OG1 3.17Å; T203-F205 HydrophobicContact CG2-CD2 4.29Å; T203-F205 HydrophobicContact CG2-CE2 3.5Å; T203-F205 HydrophobicContact CG2-CZ 3.68Å; T203-E227 HydrophobicContact CG2-CB 3.49Å; T203-E227 VanDerWaalsContact CG2-CB 3.49Å; T203-E227 HydrophobicContact CG2-CG 4.13Å; T203-F228 HydrophobicContact CG2-CD1 4.39Å; T203-F228 HydrophobicContact CG2-CE1 4.08Å
204	H	96.2	Very high	88.8	Confident	15 Å²	15	33 Å²	33	7%	0.069	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.3	-177.4	-58	162.6	0	0	0	110.2	S170 H176 D178 F182 A190 H191 F193	S170-H204 WeakPolarHBondContact O-CA 3.48Å; S170-H204 PolarHBondContact OG-CD2 2.86Å; H176-H204 AromaticContact CD2-ND1 3.35Å; H176-H204 PolarHBondContact CD2-ND1 3.15Å; H176-H204 AromaticContact NE2-CG 3.9Å; H176-H204 AromaticContact NE2-ND1 3.26Å; H176-H204 PolarHBondContact NE2-ND1 3.31Å; D178-H204 IonicContact OD2-CE1 3.58Å; D178-H204 PolarHBondContact OD2-CE1 3.48Å; D178-H204 VanDerWaalsContact OD2-CE1 3.24Å; D178-H204 IonicContact OD2-ND1 3.76Å; D178-H204 PolarHBondContact OD2-ND1 2.99Å; F182-H204 HydrophobicContact CE2-CB 4.06Å; F182-H204 HydrophobicContact CZ-CB 3.87Å; F182-H204 WeakPolarHBondContact CZ-O 3.45Å; A190-H204 CarbonylContact C-O 3.56Å; A190-H204 WeakPolarHBondContact CA-O 3.13Å; A190-H204 WeakPolarHBondContact CB-O 3.35Å; H191-H204 AromaticContact CD2-ND1 3.98Å; H191-H204 PolarHBondContact N-O 2.98Å; H191-H204 AromaticContact NE2-CG 3.81Å; H191-H204 AromaticContact NE2-ND1 3.29Å; H191-H204 PolarHBondContact NE2-ND1 2.92Å; H191-H204 PolarHBondContact O-N 2.82Å; F193-H204 AromaticContact CE2-CE1 3.96Å
205	F	98.8	Very high	88.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.8	177.1	-64.4	-91.2	0	0	0	110	I169 S170 F171 E172 A190 T203 N207 W211 L220 V223 A224 E227	I169-F205 HydrophobicContact CG2-CD2 4.11Å; I169-F205 HydrophobicContact CG2-CE2 3.71Å; S170-F205 PolarHBondContact O-N 3.18Å; F171-F205 CarbonylContact C-O 3.57Å; F171-F205 WeakPolarHBondContact CA-O 3.43Å; F171-F205 HydrophobicContact CD1-CB 3.51Å; F171-F205 HydrophobicContact CD1-CG 4.3Å; F171-F205 HydrophobicContact CE1-CB 3.7Å; F171-F205 HydrophobicContact CE1-CD2 4.46Å; F171-F205 HydrophobicContact CE1-CG 4.04Å; F171-F205 HydrophobicContact CG-CB 4.11Å; F171-F205 HydrophobicContact CZ-CB 4.4Å; F171-F205 HydrophobicContact CZ-CD2 4.36Å; F171-F205 HydrophobicContact CZ-CG 4.34Å; E172-F205 PolarHBondContact N-O 3.28Å; A190-F205 HydrophobicContact CB-CD1 3.73Å; A190-F205 HydrophobicContact CB-CE1 4.17Å; A190-F205 HydrophobicContact CB-CG 4.27Å; T203-F205 HydrophobicContact CG2-CD2 4.29Å; T203-F205 HydrophobicContact CG2-CE2 3.5Å; T203-F205 HydrophobicContact CG2-CZ 3.68Å; F205-N207 PolarHBondContact O-N 2.78Å; F205-N207 VanDerWaalsContact O-N 3.17Å; F205-W211 HydrophobicContact CB-CH2 4.35Å; F205-W211 HydrophobicContact CB-CZ2 3.76Å; F205-W211 AromaticContact CD1-CH2 3.75Å; F205-W211 HydrophobicContact CD1-CH2 3.75Å; F205-W211 HydrophobicContact CD1-CZ2 4.04Å; F205-W211 HydrophobicContact CD1-CZ3 4.19Å; F205-W211 HydrophobicContact CG-CZ2 4.39Å; F205-L220 HydrophobicContact CD1-CD1 3.76Å; F205-L220 HydrophobicContact CE1-CD1 3.7Å; F205-L220 HydrophobicContact CG-CD1 4.3Å; F205-L220 HydrophobicContact CZ-CD1 4.19Å; F205-V223 HydrophobicContact CD1-CG1 4.12Å; F205-V223 HydrophobicContact CE1-CB 4.29Å; F205-V223 HydrophobicContact CE1-CG1 3.94Å; F205-A224 HydrophobicContact CE1-CB 3.9Å; F205-A224 HydrophobicContact CZ-CB 3.58Å; F205-E227 HydrophobicContact CE1-CG 4.49Å
206	D	98.3	Very high	88.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	112.1	176.7	-171.7	-3.9	0	0	0	110.4	E172 F182 G184 T188 L189 A208 E209 W211	E172-D206 CarbonylContact O-C 3.59Å; F182-D206 HydrophobicContact CB-CB 4.06Å; F182-D206 WeakPolarHBondContact CB-OD2 3.49Å; F182-D206 HydrophobicContact CD1-CB 3.81Å; F182-D206 HydrophobicContact CD2-CB 3.8Å; F182-D206 HydrophobicContact CE1-CB 4.23Å; F182-D206 HydrophobicContact CE2-CB 4.2Å; F182-D206 HydrophobicContact CG-CB 3.62Å; F182-D206 HydrophobicContact CZ-CB 4.42Å; G184-D206 WeakPolarHBondContact CA-OD2 3.15Å; G184-D206 PolarHBondContact N-OD2 3.19Å; T188-D206 WeakPolarHBondContact O-CB 3.4Å; L189-D206 PolarHBondContact O-N 3.34Å; D206-A208 PolarHBondContact O-N 2.98Å; D206-A208 VanDerWaalsContact OD1-CB 3.24Å; D206-A208 WeakPolarHBondContact OD1-CB 3.35Å; D206-A208 PolarHBondContact OD1-N 2.96Å; D206-E209 HydrophobicContact CB-CG 4.02Å; D206-E209 WeakPolarHBondContact O-CB 3.32Å; D206-E209 PolarHBondContact O-N 3.16Å; D206-E209 VanDerWaalsContact O-N 3.15Å; D206-W211 WeakPolarHBondContact O-CZ2 3.26Å; D206-W211 PolarHBondContact O-NE1 3.02Å
207	N	97.5	Very high	89.6	Confident	30 Å²	30	42.5 Å²	42.5	16%	0.16	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.6	-178.7	-161.2	36.6	0	0	0	113.1	T130 F171 E172 F205 E209	T130-N207 VanDerWaalsContact CA-OD1 3.25Å; T130-N207 WeakPolarHBondContact CA-OD1 3.41Å; T130-N207 WeakPolarHBondContact CB-OD1 3.43Å; T130-N207 PolarHBondContact OG1-OD1 3Å; F171-N207 HydrophobicContact CB-CB 3.98Å; E172-N207 WeakPolarHBondContact O-CB 3.35Å; E172-N207 PolarHBondContact O-N 3.44Å; F205-N207 PolarHBondContact O-N 2.78Å; F205-N207 VanDerWaalsContact O-N 3.17Å; N207-E209 PolarHBondContact O-N 3.18Å
208	A	97.1	Very high	90.6	Very high	41 Å²	41	34.1 Å²	34.1	34%	0.339	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.5	167.1	0	0	0	0	0	112	N173 P185 D206	N173-A208 PolarHBondContact OD1-N 3.26Å; N173-A208 VanDerWaalsContact OD1-N 3.14Å; P185-A208 HydrophobicContact CG-CB 4.33Å; D206-A208 PolarHBondContact O-N 2.98Å; D206-A208 VanDerWaalsContact OD1-CB 3.24Å; D206-A208 WeakPolarHBondContact OD1-CB 3.35Å; D206-A208 PolarHBondContact OD1-N 2.96Å
209	E	97.7	Very high	91.6	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.037	19%	0.187	C	C	.	.	S	Bend	trans	-79.7	148.9	177.1	-59.3	-65.2	-172.6	0	0	112.8	R186 L189 D206 N207 W211 F218	R186-E209 WeakPolarHBondContact CA-OE1 3.12Å; R186-E209 VanDerWaalsContact N-CD 3.25Å; R186-E209 PolarHBondContact N-OE1 2.83Å; R186-E209 PolarHBondContact N-OE2 2.82Å; R186-E209 VanDerWaalsContact N-OE2 3.09Å; L189-E209 HydrophobicContact CD2-CG 3.96Å; L189-E209 WeakPolarHBondContact CD2-OE1 3.34Å; D206-E209 HydrophobicContact CB-CG 4.02Å; D206-E209 WeakPolarHBondContact O-CB 3.32Å; D206-E209 PolarHBondContact O-N 3.16Å; D206-E209 VanDerWaalsContact O-N 3.15Å; N207-E209 PolarHBondContact O-N 3.18Å; E209-W211 HydrophobicContact CB-CZ2 4Å; E209-W211 HydrophobicContact CG-CZ2 4.32Å; E209-W211 PolarHBondContact O-N 3.19Å; E209-F218 HydrophobicContact CB-CD2 4.1Å; E209-F218 HydrophobicContact CG-CD2 4.27Å; E209-F218 WeakPolarHBondContact OE2-CD2 3.19Å; E209-F218 WeakPolarHBondContact OE2-CE2 3.39Å
210	K	96.9	Very high	92.7	Very high	109 Å²	109	28 Å²	28	47%	0.474	17%	0.168	S	C	.	.			trans	-82.8	93.4	171.1	-173.1	-175.6	175.7	-162.2	0	109.6	T212 N216 G217 F218	K210-T212 HydrophobicContact CG-CG2 4.41Å; K210-N216 WeakPolarHBondContact CD-O 3.39Å; K210-N216 VanDerWaalsContact CE-O 3.25Å; K210-N216 WeakPolarHBondContact CE-O 3.21Å; K210-N216 PolarHBondContact NZ-ND2 3.07Å; K210-N216 VanDerWaalsContact NZ-ND2 3.17Å; K210-N216 PolarHBondContact NZ-O 3.17Å; K210-N216 PolarHBondContact NZ-OD1 3.33Å; K210-G217 CarbonylContact O-C 3.49Å; K210-G217 WeakPolarHBondContact O-CA 3.39Å; K210-F218 PolarHBondContact O-N 3.02Å
211	W	98	Very high	93.5	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	141.4	176.3	-58.5	99.2	0	0	0	111.8	T130 S132 M133 F171 L189 F205 D206 E209 F218 L220 V223	T130-W211 HydrophobicContact CG2-CB 4.27Å; T130-W211 HydrophobicContact CG2-CG 4.43Å; S132-W211 WeakPolarHBondContact OG-CB 3.48Å; S132-W211 PolarHBondContact OG-N 3.36Å; M133-W211 HydrophobicContact CG-CB 3.99Å; M133-W211 VanDerWaalsContact CG-O 3.25Å; M133-W211 WeakPolarHBondContact CG-O 3.41Å; M133-W211 HydrophobicContact SD-CB 3.47Å; M133-W211 WeakPolarHBondContact SD-CB 3.36Å; F171-W211 AromaticContact CD1-CD1 3.81Å; F171-W211 HydrophobicContact CD1-CG 4.46Å; F171-W211 AromaticContact CD1-NE1 3.62Å; F171-W211 AromaticContact CE1-CD1 3.69Å; F171-W211 HydrophobicContact CE1-CD2 4.07Å; F171-W211 AromaticContact CE1-CE2 3.98Å; F171-W211 AromaticContact CE1-CG 3.9Å; F171-W211 HydrophobicContact CE1-CG 3.9Å; F171-W211 AromaticContact CE1-NE1 3.72Å; L189-W211 HydrophobicContact CB-CH2 4.2Å; L189-W211 WeakPolarHBondContact O-CH2 3.42Å; L189-W211 VanDerWaalsContact O-CZ2 3.24Å; L189-W211 WeakPolarHBondContact O-CZ2 3.33Å; F205-W211 HydrophobicContact CB-CH2 4.35Å; F205-W211 HydrophobicContact CB-CZ2 3.76Å; F205-W211 AromaticContact CD1-CH2 3.75Å; F205-W211 HydrophobicContact CD1-CH2 3.75Å; F205-W211 HydrophobicContact CD1-CZ2 4.04Å; F205-W211 HydrophobicContact CD1-CZ3 4.19Å; F205-W211 HydrophobicContact CG-CZ2 4.39Å; D206-W211 WeakPolarHBondContact O-CZ2 3.26Å; D206-W211 PolarHBondContact O-NE1 3.02Å; E209-W211 HydrophobicContact CB-CZ2 4Å; E209-W211 HydrophobicContact CG-CZ2 4.32Å; E209-W211 PolarHBondContact O-N 3.19Å; W211-F218 CarbonylContact C-O 3.52Å; W211-F218 WeakPolarHBondContact CA-O 3.48Å; W211-F218 HydrophobicContact CE3-CB 4.1Å; W211-F218 HydrophobicContact CZ3-CB 3.97Å; W211-L220 HydrophobicContact CD2-CD1 4.28Å; W211-L220 HydrophobicContact CE3-CB 4.11Å; W211-L220 HydrophobicContact CE3-CD1 3.89Å; W211-L220 HydrophobicContact CZ3-CD1 4.24Å; W211-V223 HydrophobicContact CH2-CB 4.2Å; W211-V223 HydrophobicContact CH2-CG1 4.02Å; W211-V223 HydrophobicContact CH2-CG2 4.2Å; W211-V223 HydrophobicContact CZ3-CB 3.85Å; W211-V223 HydrophobicContact CZ3-CG1 4.19Å; W211-V223 HydrophobicContact CZ3-CG2 3.75Å
212	T	94.9	Very high	94.2	Very high	22 Å²	22	28 Å²	28	14%	0.135	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	167.2	177.8	73.2	0	0	0	0	111.9	M133 K210 G214 N216 F218 N219 L220	M133-T212 PolarHBondContact SD-N 3Å; M133-T212 VanDerWaalsContact SD-N 3.41Å; K210-T212 HydrophobicContact CG-CG2 4.41Å; T212-G214 VanDerWaalsContact C-N 3.35Å; T212-G214 PolarHBondContact OG1-N 2.82Å; T212-G214 PolarHBondContact OG1-O 3.15Å; T212-N216 WeakPolarHBondContact CG2-O 3.34Å; T212-F218 PolarHBondContact N-O 3.44Å; T212-N219 VanDerWaalsContact O-CA 3.31Å; T212-N219 WeakPolarHBondContact O-CA 3.22Å; T212-L220 PolarHBondContact O-N 2.65Å
213	M	83.4	Confident	94.6	Very high	31 Å²	31	27.5 Å²	27.5	15%	0.153	16%	0.163	C	C	.	.	S	Bend	trans	-87	-3.9	163.9	-70.8	-61.9	-72.3	0	0	113.4	M133 E137 A141 N219	M133-M213 HydrophobicContact CE-CG 3.66Å; M133-M213 HydrophobicContact CE-SD 3.87Å; E137-M213 HydrophobicContact CB-CG 4.17Å; E137-M213 HydrophobicContact CG-CG 4.34Å; A141-M213 HydrophobicContact CB-SD 3.79Å; M213-N219 PolarHBondContact O-ND2 3.3Å
214	G	79.8	Confident	94.7	Very high	30 Å²	30	27.5 Å²	27.5	31%	0.309	16%	0.163	S	C	.	.	S	Bend	trans	-119.6	-145.7	-174.1	0	0	0	0	0	112.2	T212 N219 Y250	T212-G214 VanDerWaalsContact C-N 3.35Å; T212-G214 PolarHBondContact OG1-N 2.82Å; T212-G214 PolarHBondContact OG1-O 3.15Å; G214-N219 PolarHBondContact O-ND2 2.69Å; G214-Y250 WeakPolarHBondContact O-CE2 3.33Å
215	T	84.9	Confident	94.8	Very high	109 Å²	109	26.8 Å²	26.8	67%	0.669	16%	0.16	S	C	*	.	S	Bend	trans	-110.7	-1	-178.5	55.1	0	0	0	0	113.6	G217 Y250	T215-G217 PolarHBondContact O-N 3.4Å; T215-G217 VanDerWaalsContact O-N 3.07Å; T215-Y250 HydrophobicContact CG2-CD1 4.13Å; T215-Y250 HydrophobicContact CG2-CD2 3.9Å; T215-Y250 HydrophobicContact CG2-CE1 4.02Å; T215-Y250 HydrophobicContact CG2-CE2 3.78Å; T215-Y250 HydrophobicContact CG2-CG 4.07Å
216	N	86.2	Confident	94.8	Very high	121 Å²	121	27.4 Å²	27.4	65%	0.647	16%	0.163	S	C	*	.	S	Bend	trans	-86.2	45.5	-178.9	-171.4	20.1	0	0	0	112.5	K210 T212	K210-N216 WeakPolarHBondContact CD-O 3.39Å; K210-N216 VanDerWaalsContact CE-O 3.25Å; K210-N216 WeakPolarHBondContact CE-O 3.21Å; K210-N216 PolarHBondContact NZ-ND2 3.07Å; K210-N216 VanDerWaalsContact NZ-ND2 3.17Å; K210-N216 PolarHBondContact NZ-O 3.17Å; K210-N216 PolarHBondContact NZ-OD1 3.33Å; T212-N216 WeakPolarHBondContact CG2-O 3.34Å
217	G	93	Very high	94.8	Very high	25 Å²	25	27.5 Å²	27.5	26%	0.258	16%	0.163	S	C	.	.	S	Bend	trans	151.3	-160.5	-169.4	0	0	0	0	0	109.8	K210 T215	K210-G217 CarbonylContact O-C 3.49Å; K210-G217 WeakPolarHBondContact O-CA 3.39Å; T215-G217 PolarHBondContact O-N 3.4Å; T215-G217 VanDerWaalsContact O-N 3.07Å
218	F	96.9	Very high	94.8	Very high	19 Å²	19	26 Å²	26	8%	0.083	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.3	172.2	-65.6	-75.3	0	0	0	109.8	P98 R186 L189 E209 K210 W211 T212 L220 Y248	P98-F218 HydrophobicContact CB-CE1 3.57Å; P98-F218 HydrophobicContact CB-CZ 3.67Å; P98-F218 HydrophobicContact CG-CE1 3.71Å; P98-F218 HydrophobicContact CG-CZ 3.59Å; R186-F218 HydrophobicContact CG-CE2 4.37Å; R186-F218 HydrophobicContact CG-CZ 4.49Å; L189-F218 HydrophobicContact CD1-CD1 3.47Å; L189-F218 VanDerWaalsContact CD1-CD1 3.47Å; L189-F218 HydrophobicContact CD1-CE1 3.76Å; L189-F218 HydrophobicContact CD1-CG 4.07Å; L189-F218 HydrophobicContact CD2-CD1 3.7Å; L189-F218 HydrophobicContact CD2-CD2 3.68Å; L189-F218 HydrophobicContact CD2-CE1 3.66Å; L189-F218 HydrophobicContact CD2-CE2 3.62Å; L189-F218 HydrophobicContact CD2-CG 3.72Å; L189-F218 HydrophobicContact CD2-CZ 3.61Å; L189-F218 HydrophobicContact CG-CD1 4.26Å; L189-F218 HydrophobicContact CG-CE1 4.34Å; E209-F218 HydrophobicContact CB-CD2 4.1Å; E209-F218 HydrophobicContact CG-CD2 4.27Å; E209-F218 WeakPolarHBondContact OE2-CD2 3.19Å; E209-F218 WeakPolarHBondContact OE2-CE2 3.39Å; K210-F218 PolarHBondContact O-N 3.02Å; W211-F218 CarbonylContact C-O 3.52Å; W211-F218 WeakPolarHBondContact CA-O 3.48Å; W211-F218 HydrophobicContact CE3-CB 4.1Å; W211-F218 HydrophobicContact CZ3-CB 3.97Å; T212-F218 PolarHBondContact N-O 3.44Å; F218-L220 PolarHBondContact O-N 2.86Å; F218-Y248 AromaticContact CD1-CD1 3.73Å; F218-Y248 HydrophobicContact CD1-CD1 3.73Å; F218-Y248 HydrophobicContact CD1-CD2 4.06Å; F218-Y248 AromaticContact CD1-CE1 3.71Å; F218-Y248 HydrophobicContact CD1-CE1 3.71Å; F218-Y248 HydrophobicContact CD1-CE2 4.05Å; F218-Y248 AromaticContact CD1-CG 3.9Å; F218-Y248 HydrophobicContact CD1-CG 3.9Å; F218-Y248 AromaticContact CD1-CZ 3.87Å; F218-Y248 AromaticContact CE1-CD1 3.79Å; F218-Y248 HydrophobicContact CE1-CD1 3.79Å; F218-Y248 HydrophobicContact CE1-CE1 4.09Å; F218-Y248 HydrophobicContact CE1-CG 4.12Å
219	N	97.7	Very high	94.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	115	-178.8	-177.6	-92.1	0	0	0	109.6	T212 M213 G214 F221 T222 V223 Y248 Y250	T212-N219 VanDerWaalsContact O-CA 3.31Å; T212-N219 WeakPolarHBondContact O-CA 3.22Å; M213-N219 PolarHBondContact O-ND2 3.3Å; G214-N219 PolarHBondContact O-ND2 2.69Å; N219-F221 VanDerWaalsContact C-N 3.31Å; N219-F221 PolarHBondContact O-N 3.29Å; N219-F221 WeakPolarHBondContact OD1-CB 3.28Å; N219-F221 PolarHBondContact OD1-N 2.99Å; N219-T222 WeakPolarHBondContact O-CB 3.49Å; N219-T222 PolarHBondContact O-N 3.46Å; N219-T222 VanDerWaalsContact O-N 3.11Å; N219-T222 PolarHBondContact OD1-N 3.09Å; N219-T222 PolarHBondContact OD1-OG1 3.39Å; N219-V223 PolarHBondContact O-N 3.38Å; N219-Y248 WeakPolarHBondContact CB-OH 3.27Å; N219-Y248 PolarHBondContact N-OH 3.39Å; N219-Y250 HydrophobicContact CB-CD2 3.65Å; N219-Y250 HydrophobicContact CB-CE2 3.76Å
220	L	98.4	Very high	94.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-39.4	-174.3	178.4	60.2	0	0	0	112	M133 V138 A141 F171 F205 W211 T212 F218 T222 V223 A224	M133-L220 HydrophobicContact CE-CB 4.3Å; M133-L220 HydrophobicContact CE-CD2 4.1Å; M133-L220 HydrophobicContact SD-CB 3.94Å; M133-L220 HydrophobicContact SD-CD2 3.94Å; V138-L220 HydrophobicContact CB-CD2 4.17Å; V138-L220 HydrophobicContact CG1-CD2 4.11Å; V138-L220 HydrophobicContact CG2-CD2 3.98Å; A141-L220 HydrophobicContact CB-CB 4.07Å; A141-L220 HydrophobicContact CB-CD2 3.78Å; A141-L220 HydrophobicContact CB-CG 3.82Å; F171-L220 HydrophobicContact CE1-CD1 3.88Å; F171-L220 HydrophobicContact CE1-CD2 4.47Å; F171-L220 HydrophobicContact CZ-CD1 3.66Å; F171-L220 HydrophobicContact CZ-CD2 3.77Å; F171-L220 HydrophobicContact CZ-CG 4.38Å; F205-L220 HydrophobicContact CD1-CD1 3.76Å; F205-L220 HydrophobicContact CE1-CD1 3.7Å; F205-L220 HydrophobicContact CG-CD1 4.3Å; F205-L220 HydrophobicContact CZ-CD1 4.19Å; W211-L220 HydrophobicContact CD2-CD1 4.28Å; W211-L220 HydrophobicContact CE3-CB 4.11Å; W211-L220 HydrophobicContact CE3-CD1 3.89Å; W211-L220 HydrophobicContact CZ3-CD1 4.24Å; T212-L220 PolarHBondContact O-N 2.65Å; F218-L220 PolarHBondContact O-N 2.86Å; L220-T222 VanDerWaalsContact C-N 3.34Å; L220-T222 PolarHBondContact O-N 3.27Å; L220-V223 PolarHBondContact O-N 2.84Å; L220-A224 WeakPolarHBondContact O-CB 3.14Å; L220-A224 PolarHBondContact O-N 3.46Å
221	F	97.8	Very high	94.6	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-59.5	-45.2	175.3	162.7	-89.2	0	0	0	111.9	A141 M144 A145 N219 V223 A224 A225 Q251 P253 F256	A141-F221 HydrophobicContact CB-CB 4.34Å; M144-F221 HydrophobicContact CB-CD2 3.59Å; M144-F221 HydrophobicContact CB-CE2 3.79Å; A145-F221 HydrophobicContact CB-CD2 4.06Å; A145-F221 HydrophobicContact CB-CE2 4.34Å; N219-F221 VanDerWaalsContact C-N 3.31Å; N219-F221 PolarHBondContact O-N 3.29Å; N219-F221 WeakPolarHBondContact OD1-CB 3.28Å; N219-F221 PolarHBondContact OD1-N 2.99Å; F221-V223 PolarHBondContact O-N 3.16Å; F221-A224 PolarHBondContact O-N 2.9Å; F221-A225 HydrophobicContact CZ-CB 4.36Å; F221-A225 WeakPolarHBondContact O-CB 3.38Å; F221-A225 PolarHBondContact O-N 3.16Å; F221-Q251 HydrophobicContact CE1-CB 4.3Å; F221-P253 HydrophobicContact CB-CB 3.75Å; F221-P253 HydrophobicContact CD1-CB 3.52Å; F221-P253 HydrophobicContact CD1-CG 4.49Å; F221-P253 HydrophobicContact CD2-CB 3.92Å; F221-P253 VanDerWaalsContact CE1-CA 3.47Å; F221-P253 HydrophobicContact CE1-CB 4.1Å; F221-P253 HydrophobicContact CE2-CB 4.4Å; F221-P253 HydrophobicContact CG-CB 3.43Å; F221-P253 VanDerWaalsContact CG-CB 3.43Å; F221-P253 HydrophobicContact CZ-CB 4.49Å; F221-F256 HydrophobicContact CE1-CB 4Å; F221-F256 HydrophobicContact CE1-CD1 4.18Å; F221-F256 HydrophobicContact CE1-CD2 4.03Å; F221-F256 AromaticContact CE1-CG 3.8Å; F221-F256 HydrophobicContact CE1-CG 3.8Å; F221-F256 HydrophobicContact CZ-CB 3.6Å; F221-F256 AromaticContact CZ-CD1 3.56Å; F221-F256 HydrophobicContact CZ-CD1 3.56Å; F221-F256 HydrophobicContact CZ-CD2 4.2Å; F221-F256 HydrophobicContact CZ-CE1 4.26Å; F221-F256 AromaticContact CZ-CG 3.51Å; F221-F256 HydrophobicContact CZ-CG 3.51Å
222	T	96.8	Very high	94.5	Very high	7 Å²	7	18.8 Å²	18.8	4%	0.043	12%	0.117	C	C	.	.	H	α-helix	trans	-58.9	-49.6	-178.2	-63	0	0	0	0	110.8	N219 L220 H226 Y248 K249 Q251	N219-T222 WeakPolarHBondContact O-CB 3.49Å; N219-T222 PolarHBondContact O-N 3.46Å; N219-T222 VanDerWaalsContact O-N 3.11Å; N219-T222 PolarHBondContact OD1-N 3.09Å; N219-T222 PolarHBondContact OD1-OG1 3.39Å; L220-T222 VanDerWaalsContact C-N 3.34Å; L220-T222 PolarHBondContact O-N 3.27Å; T222-H226 PolarHBondContact O-N 3.44Å; T222-Y248 HydrophobicContact CG2-CD2 4.06Å; T222-Y248 HydrophobicContact CG2-CE2 3.68Å; T222-K249 VanDerWaalsContact CG2-O 3.31Å; T222-K249 WeakPolarHBondContact CG2-O 3.44Å; T222-Q251 HydrophobicContact CG2-CB 4.09Å; T222-Q251 HydrophobicContact CG2-CG 3.88Å; T222-Q251 PolarHBondContact OG1-N 3.49Å; T222-Q251 PolarHBondContact OG1-O 3.29Å
223	V	98.7	Very high	94.3	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-70.2	-46.5	-179.1	-177.2	0	0	0	0	110	L189 A190 F205 W211 N219 L220 F221 A225 H226 E227 Y248	L189-V223 HydrophobicContact CB-CG1 4.23Å; L189-V223 HydrophobicContact CB-CG2 4.42Å; L189-V223 HydrophobicContact CD1-CG2 3.92Å; A190-V223 HydrophobicContact CB-CG1 3.47Å; A190-V223 VanDerWaalsContact CB-CG1 3.47Å; F205-V223 HydrophobicContact CD1-CG1 4.12Å; F205-V223 HydrophobicContact CE1-CB 4.29Å; F205-V223 HydrophobicContact CE1-CG1 3.94Å; W211-V223 HydrophobicContact CH2-CB 4.2Å; W211-V223 HydrophobicContact CH2-CG1 4.02Å; W211-V223 HydrophobicContact CH2-CG2 4.2Å; W211-V223 HydrophobicContact CZ3-CB 3.85Å; W211-V223 HydrophobicContact CZ3-CG1 4.19Å; W211-V223 HydrophobicContact CZ3-CG2 3.75Å; N219-V223 PolarHBondContact O-N 3.38Å; L220-V223 PolarHBondContact O-N 2.84Å; F221-V223 PolarHBondContact O-N 3.16Å; V223-A225 VanDerWaalsContact C-N 3.32Å; V223-A225 PolarHBondContact O-N 3.15Å; V223-H226 WeakPolarHBondContact O-CB 3.31Å; V223-H226 PolarHBondContact O-N 2.92Å; V223-H226 VanDerWaalsContact O-N 3.09Å; V223-E227 HydrophobicContact CG1-CG 4.07Å; V223-E227 WeakPolarHBondContact O-CG 3.12Å; V223-E227 PolarHBondContact O-N 3.03Å; V223-Y248 HydrophobicContact CG2-CD2 3.83Å; V223-Y248 HydrophobicContact CG2-CE2 3.92Å
224	A	98.8	Very high	94.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.2	-39.6	179.1	0	0	0	0	0	112.9	A145 F205 L220 F221 H226 E227 F228	A145-A224 HydrophobicContact CB-CB 3.86Å; F205-A224 HydrophobicContact CE1-CB 3.9Å; F205-A224 HydrophobicContact CZ-CB 3.58Å; L220-A224 WeakPolarHBondContact O-CB 3.14Å; L220-A224 PolarHBondContact O-N 3.46Å; F221-A224 PolarHBondContact O-N 2.9Å; A224-H226 VanDerWaalsContact C-N 3.31Å; A224-H226 PolarHBondContact O-N 3.11Å; A224-E227 PolarHBondContact O-N 3.24Å; A224-F228 HydrophobicContact CB-CD2 4.4Å; A224-F228 HydrophobicContact CB-CE2 3.93Å; A224-F228 HydrophobicContact CB-CZ 4.27Å; A224-F228 WeakPolarHBondContact O-CB 3.06Å; A224-F228 WeakPolarHBondContact O-CD2 2.92Å; A224-F228 WeakPolarHBondContact O-CG 3.29Å; A224-F228 PolarHBondContact O-N 3.35Å
225	A	98.6	Very high	95.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63	-39.9	177.1	0	0	0	0	0	111.4	A145 W149 F221 V223 G229 L243	A145-A225 HydrophobicContact CB-CB 3.9Å; W149-A225 WeakPolarHBondContact CZ2-O 3.08Å; W149-A225 PolarHBondContact NE1-O 2.85Å; F221-A225 HydrophobicContact CZ-CB 4.36Å; F221-A225 WeakPolarHBondContact O-CB 3.38Å; F221-A225 PolarHBondContact O-N 3.16Å; V223-A225 VanDerWaalsContact C-N 3.32Å; V223-A225 PolarHBondContact O-N 3.15Å; A225-G229 PolarHBondContact O-N 2.99Å; A225-L243 HydrophobicContact CB-CD1 4.23Å; A225-L243 HydrophobicContact CB-CD2 3.74Å
226	H	98.6	Very high	95.4	Very high	13 Å²	13	15.5 Å²	15.5	6%	0.06	10%	0.099	C	C	.	.	H	α-helix	trans	-64.1	-53.6	173.7	179.9	106.1	0	0	0	111.5	C100 T222 V223 A224 F228 G229 H230 H236 L243 M244 Y245	C100-H226 WeakPolarHBondContact CB-NE2 3.49Å; T222-H226 PolarHBondContact O-N 3.44Å; V223-H226 WeakPolarHBondContact O-CB 3.31Å; V223-H226 PolarHBondContact O-N 2.92Å; V223-H226 VanDerWaalsContact O-N 3.09Å; A224-H226 VanDerWaalsContact C-N 3.31Å; A224-H226 PolarHBondContact O-N 3.11Å; H226-F228 VanDerWaalsContact C-N 3.29Å; H226-F228 PolarHBondContact O-N 2.83Å; H226-G229 WeakPolarHBondContact O-CA 3.49Å; H226-G229 PolarHBondContact O-N 3.45Å; H226-H230 AromaticContact CD2-CD2 3.9Å; H226-H230 AromaticContact CD2-NE2 3.76Å; H226-H230 AromaticContact NE2-CD2 3.91Å; H226-H230 AromaticContact NE2-NE2 3.28Å; H226-H230 PolarHBondContact NE2-NE2 3.46Å; H226-H230 PolarHBondContact O-N 3.4Å; H226-H236 AromaticContact CE1-CD2 3.54Å; H226-H236 AromaticContact CE1-NE2 3.67Å; H226-H236 AromaticContact NE2-CD2 3.4Å; H226-H236 PolarHBondContact NE2-CD2 2.99Å; H226-H236 AromaticContact NE2-NE2 3.18Å; H226-H236 PolarHBondContact NE2-NE2 3.47Å; H226-H236 VanDerWaalsContact NE2-NE2 3.18Å; H226-L243 HydrophobicContact CB-CD1 4.34Å; H226-L243 HydrophobicContact CB-CG 4.41Å; H226-L243 PolarHBondContact ND1-O 3.32Å; H226-M244 VanDerWaalsContact CE1-C 3.48Å; H226-M244 WeakPolarHBondContact O-CE 3.31Å; H226-Y245 PolarHBondContact CE1-O 3.23Å; H226-Y245 VanDerWaalsContact CE1-O 3.26Å
227	E	98.6	Very high	95.6	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.009	7%	0.072	C	C	.	.	H	α-helix	trans	-63.2	-35.1	-177.7	-58.6	-48.7	144.1	0	0	112.4	C100 A190 H191 A192 T203 F205 V223 A224 G229 H230 A231	C100-E227 PolarHBondContact SG-OE1 2.86Å; C100-E227 PolarHBondContact SG-OE2 3.47Å; A190-E227 HydrophobicContact CB-CG 3.58Å; H191-E227 VanDerWaalsContact C-OE2 3.26Å; H191-E227 WeakPolarHBondContact CA-OE2 3.29Å; A192-E227 HydrophobicContact CB-CB 3.96Å; A192-E227 VanDerWaalsContact CB-O 3.29Å; A192-E227 WeakPolarHBondContact CB-O 3.45Å; A192-E227 PolarHBondContact N-OE2 3.34Å; T203-E227 HydrophobicContact CG2-CB 3.49Å; T203-E227 VanDerWaalsContact CG2-CB 3.49Å; T203-E227 HydrophobicContact CG2-CG 4.13Å; F205-E227 HydrophobicContact CE1-CG 4.49Å; V223-E227 HydrophobicContact CG1-CG 4.07Å; V223-E227 WeakPolarHBondContact O-CG 3.12Å; V223-E227 PolarHBondContact O-N 3.03Å; A224-E227 PolarHBondContact O-N 3.24Å; E227-G229 PolarHBondContact O-N 3.07Å; E227-H230 WeakPolarHBondContact O-CA 3.25Å; E227-H230 VanDerWaalsContact O-CB 3.31Å; E227-H230 WeakPolarHBondContact O-CB 3.44Å; E227-H230 PolarHBondContact O-N 2.7Å; E227-H230 IonicContact OE2-CD2 2.73Å; E227-A231 PolarHBondContact O-N 2.97Å
228	F	98.6	Very high	95.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.1	-24.1	172.8	-63.7	-28.9	0	0	0	113	V142 A145 L146 I167 I169 T203 A224 H226 H230 A231 L232	V142-F228 HydrophobicContact CG1-CE2 4.12Å; V142-F228 HydrophobicContact CG1-CZ 3.98Å; V142-F228 HydrophobicContact CG2-CZ 4.4Å; A145-F228 HydrophobicContact CB-CD2 3.68Å; A145-F228 HydrophobicContact CB-CE2 3.75Å; L146-F228 HydrophobicContact CD1-CE2 4.32Å; L146-F228 HydrophobicContact CD2-CB 4.15Å; L146-F228 HydrophobicContact CD2-CD1 4.18Å; L146-F228 HydrophobicContact CD2-CD2 3.43Å; L146-F228 VanDerWaalsContact CD2-CD2 3.43Å; L146-F228 HydrophobicContact CD2-CE1 4.49Å; L146-F228 HydrophobicContact CD2-CE2 3.8Å; L146-F228 HydrophobicContact CD2-CG 3.66Å; L146-F228 HydrophobicContact CD2-CZ 4.33Å; L146-F228 HydrophobicContact CG-CD2 3.64Å; L146-F228 HydrophobicContact CG-CE2 3.61Å; L146-F228 HydrophobicContact CG-CG 4.37Å; L146-F228 HydrophobicContact CG-CZ 4.32Å; I167-F228 HydrophobicContact CG2-CD1 4.29Å; I167-F228 HydrophobicContact CG2-CE1 4.02Å; I169-F228 HydrophobicContact CD1-CE1 3.84Å; I169-F228 HydrophobicContact CD1-CZ 3.54Å; I169-F228 HydrophobicContact CG1-CE1 3.92Å; I169-F228 HydrophobicContact CG1-CZ 4.07Å; T203-F228 HydrophobicContact CG2-CD1 4.39Å; T203-F228 HydrophobicContact CG2-CE1 4.08Å; A224-F228 HydrophobicContact CB-CD2 4.4Å; A224-F228 HydrophobicContact CB-CE2 3.93Å; A224-F228 HydrophobicContact CB-CZ 4.27Å; A224-F228 WeakPolarHBondContact O-CB 3.06Å; A224-F228 WeakPolarHBondContact O-CD2 2.92Å; A224-F228 WeakPolarHBondContact O-CG 3.29Å; A224-F228 PolarHBondContact O-N 3.35Å; H226-F228 VanDerWaalsContact C-N 3.29Å; H226-F228 PolarHBondContact O-N 2.83Å; F228-H230 VanDerWaalsContact C-N 3.31Å; F228-A231 PolarHBondContact O-N 2.97Å; F228-L232 VanDerWaalsContact O-CB 3.31Å; F228-L232 WeakPolarHBondContact O-CB 3.28Å; F228-L232 WeakPolarHBondContact O-CD1 3.12Å; F228-L232 WeakPolarHBondContact O-CG 3.47Å; F228-L232 PolarHBondContact O-N 3.03Å
229	G	97.2	Very high	94.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.9	-42.7	167.3	0	0	0	0	0	111.5	W149 A225 H226 E227 L232 G233 L234	W149-G229 VanDerWaalsContact CZ2-CA 3.44Å; A225-G229 PolarHBondContact O-N 2.99Å; H226-G229 WeakPolarHBondContact O-CA 3.49Å; H226-G229 PolarHBondContact O-N 3.45Å; E227-G229 PolarHBondContact O-N 3.07Å; G229-L232 CarbonylContact O-C 3.57Å; G229-L232 PolarHBondContact O-N 3.34Å; G229-G233 PolarHBondContact O-N 2.91Å; G229-G233 VanDerWaalsContact O-N 3.17Å; G229-L234 VanDerWaalsContact O-CB 3.31Å; G229-L234 WeakPolarHBondContact O-CB 3.15Å; G229-L234 PolarHBondContact O-N 2.91Å
230	H	94.4	Very high	94.1	Very high	7 Å²	7	18.8 Å²	18.8	3%	0.032	12%	0.12	C	C	.	.	H	α-helix	trans	-64.1	-47.2	172.2	-67.1	-48.7	0	0	0	112.3	A192 A194 H226 E227 F228 L232 G233 L234 H236 M244	A192-H230 HydrophobicContact CB-CB 3.95Å; A194-H230 VanDerWaalsContact CA-O 3.3Å; A194-H230 WeakPolarHBondContact CA-O 3.45Å; H226-H230 AromaticContact CD2-CD2 3.9Å; H226-H230 AromaticContact CD2-NE2 3.76Å; H226-H230 AromaticContact NE2-CD2 3.91Å; H226-H230 AromaticContact NE2-NE2 3.28Å; H226-H230 PolarHBondContact NE2-NE2 3.46Å; H226-H230 PolarHBondContact O-N 3.4Å; E227-H230 WeakPolarHBondContact O-CA 3.25Å; E227-H230 VanDerWaalsContact O-CB 3.31Å; E227-H230 WeakPolarHBondContact O-CB 3.44Å; E227-H230 PolarHBondContact O-N 2.7Å; E227-H230 IonicContact OE2-CD2 2.73Å; F228-H230 VanDerWaalsContact C-N 3.31Å; H230-L232 PolarHBondContact O-N 3.21Å; H230-G233 PolarHBondContact O-N 3.07Å; H230-L234 WeakPolarHBondContact CA-O 3.14Å; H230-L234 PolarHBondContact ND1-O 3Å; H230-H236 AromaticContact CE1-CD2 3.43Å; H230-H236 PolarHBondContact CE1-CD2 3.41Å; H230-H236 VanDerWaalsContact CE1-CD2 3.43Å; H230-H236 AromaticContact CE1-NE2 3.77Å; H230-H236 AromaticContact NE2-CD2 3.35Å; H230-H236 PolarHBondContact NE2-CD2 2.86Å; H230-H236 AromaticContact NE2-NE2 3.27Å; H230-H236 PolarHBondContact NE2-NE2 2.97Å; H230-M244 WeakPolarHBondContact CE1-CE 3.35Å; H230-M244 WeakPolarHBondContact ND1-CE 3.3Å
231	A	95.9	Very high	93.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.8	-17.5	176	0	0	0	0	0	113.5	W117 I167 A192 F193 P195 G201 E227 F228	W117-A231 PolarHBondContact NE1-O 3.41Å; I167-A231 HydrophobicContact CD1-CB 4.28Å; A192-A231 HydrophobicContact CB-CB 4.46Å; F193-A231 WeakPolarHBondContact O-CA 3.44Å; P195-A231 WeakPolarHBondContact CD-O 3.45Å; P195-A231 WeakPolarHBondContact CG-O 3.28Å; G201-A231 VanDerWaalsContact O-CB 3.32Å; G201-A231 WeakPolarHBondContact O-CB 3.36Å; E227-A231 PolarHBondContact O-N 2.97Å; F228-A231 PolarHBondContact O-N 2.97Å
232	L	96.1	Very high	93.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	0.6	174	-65.7	173.9	0	0	0	113.7	L122 W149 L155 F157 F228 G229 H230 I266 Y270	L122-L232 HydrophobicContact CD1-CD2 3.65Å; W149-L232 HydrophobicContact CB-CD1 3.61Å; W149-L232 HydrophobicContact CD2-CD1 4.08Å; W149-L232 HydrophobicContact CG-CD1 3.56Å; L155-L232 HydrophobicContact CD1-CD1 4.38Å; L155-L232 HydrophobicContact CD1-CD2 3.61Å; F157-L232 HydrophobicContact CE1-CD2 4.05Å; F157-L232 HydrophobicContact CZ-CD1 4.03Å; F157-L232 HydrophobicContact CZ-CD2 3.97Å; F228-L232 VanDerWaalsContact O-CB 3.31Å; F228-L232 WeakPolarHBondContact O-CB 3.28Å; F228-L232 WeakPolarHBondContact O-CD1 3.12Å; F228-L232 WeakPolarHBondContact O-CG 3.47Å; F228-L232 PolarHBondContact O-N 3.03Å; G229-L232 CarbonylContact O-C 3.57Å; G229-L232 PolarHBondContact O-N 3.34Å; H230-L232 PolarHBondContact O-N 3.21Å; L232-I266 HydrophobicContact CB-CD1 3.77Å; L232-I266 HydrophobicContact CD1-CD1 4.09Å; L232-Y270 HydrophobicContact CB-CE2 4.22Å; L232-Y270 VanDerWaalsContact O-CE2 3.24Å; L232-Y270 WeakPolarHBondContact O-CE2 3.24Å; L232-Y270 PolarHBondContact O-OH 3.28Å
233	G	90.1	Very high	93.2	Very high	13 Å²	13	22.2 Å²	22.2	13%	0.134	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.6	5	172.1	0	0	0	0	0	116.1	P115 G229 H230	P115-G233 VanDerWaalsContact O-CA 3.26Å; P115-G233 WeakPolarHBondContact O-CA 3.41Å; G229-G233 PolarHBondContact O-N 2.91Å; G229-G233 VanDerWaalsContact O-N 3.17Å; H230-G233 PolarHBondContact O-N 3.07Å
234	L	91.8	Very high	93.1	Very high	19 Å²	19	22 Å²	22	10%	0.099	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-79.2	142.1	175.9	-58.6	179.2	0	0	0	111.3	W149 G229 H230 M244 G265 I266 L269	W149-L234 HydrophobicContact CE3-CD1 4.46Å; W149-L234 HydrophobicContact CH2-CD1 3.35Å; W149-L234 HydrophobicContact CZ2-CD1 4.21Å; W149-L234 HydrophobicContact CZ3-CD1 3.5Å; G229-L234 VanDerWaalsContact O-CB 3.31Å; G229-L234 WeakPolarHBondContact O-CB 3.15Å; G229-L234 PolarHBondContact O-N 2.91Å; H230-L234 WeakPolarHBondContact CA-O 3.14Å; H230-L234 PolarHBondContact ND1-O 3Å; L234-M244 HydrophobicContact CB-CE 4.13Å; L234-M244 HydrophobicContact CB-CG 4.21Å; L234-M244 HydrophobicContact CB-SD 4.46Å; L234-M244 HydrophobicContact CD1-CG 3.93Å; L234-M244 HydrophobicContact CD1-SD 4.39Å; L234-G265 VanDerWaalsContact CD2-C 3.47Å; L234-I266 HydrophobicContact CD1-CB 4.21Å; L234-I266 HydrophobicContact CD1-CD1 4.12Å; L234-I266 HydrophobicContact CD2-CB 4.5Å; L234-I266 HydrophobicContact CD2-CD1 4.38Å; L234-I266 HydrophobicContact CG-CD1 4.12Å; L234-L269 HydrophobicContact CD2-CD1 3.89Å
235	A	87.6	Confident	92.9	Very high	69 Å²	69	23.4 Å²	23.4	57%	0.57	15%	0.149	S	C	*	.	P	Polyproline II helix	trans	-90.2	172.7	166.5	0	0	0	0	0	110.4
236	H	91.9	Very high	92.7	Very high	21 Å²	21	23.5 Å²	23.5	10%	0.097	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-60	141	170.7	-72.8	153	0	0	0	112.1	F78 R99 C100 V102 D104 H226 H230 M244 P246	F78-H236 HydrophobicContact CE2-CB 4.43Å; F78-H236 HydrophobicContact CZ-CB 3.78Å; R99-H236 PolarHBondContact NH2-CE1 3.41Å; C100-H236 WeakPolarHBondContact CB-NE2 3.47Å; V102-H236 PolarHBondContact O-CE1 3.49Å; D104-H236 IonicContact OD1-CE1 3.94Å; D104-H236 IonicContact OD1-CG 2.74Å; D104-H236 IonicContact OD1-ND1 3.81Å; D104-H236 PolarHBondContact OD1-ND1 2.93Å; H226-H236 AromaticContact CE1-CD2 3.54Å; H226-H236 AromaticContact CE1-NE2 3.67Å; H226-H236 AromaticContact NE2-CD2 3.4Å; H226-H236 PolarHBondContact NE2-CD2 2.99Å; H226-H236 AromaticContact NE2-NE2 3.18Å; H226-H236 PolarHBondContact NE2-NE2 3.47Å; H226-H236 VanDerWaalsContact NE2-NE2 3.18Å; H230-H236 AromaticContact CE1-CD2 3.43Å; H230-H236 PolarHBondContact CE1-CD2 3.41Å; H230-H236 VanDerWaalsContact CE1-CD2 3.43Å; H230-H236 AromaticContact CE1-NE2 3.77Å; H230-H236 AromaticContact NE2-CD2 3.35Å; H230-H236 PolarHBondContact NE2-CD2 2.86Å; H230-H236 AromaticContact NE2-NE2 3.27Å; H230-H236 PolarHBondContact NE2-NE2 2.97Å; H236-M244 CarbonylContact C-O 3.59Å; H236-M244 VanDerWaalsContact CA-O 3.27Å; H236-M244 WeakPolarHBondContact CA-O 3.24Å; H236-M244 PolarHBondContact CD2-O 2.9Å; H236-P246 HydrophobicContact CB-CG 3.91Å
237	S	89.9	Confident	92.5	Very high	12 Å²	12	23.6 Å²	23.6	8%	0.084	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-89	150.5	171.6	-177	0	0	0	0	111.2	F78 D239 M244 Y245 D261	F78-S237 WeakPolarHBondContact CZ-O 3.14Å; S237-D239 WeakPolarHBondContact OG-CB 3.38Å; S237-D239 PolarHBondContact OG-N 3.02Å; S237-M244 PolarHBondContact N-O 2.73Å; S237-Y245 WeakPolarHBondContact O-CD2 3.25Å; S237-D261 VanDerWaalsContact CB-OD2 3.24Å; S237-D261 WeakPolarHBondContact CB-OD2 3.42Å; S237-D261 PolarHBondContact OG-OD2 2.88Å
238	T	86.4	Confident	92.4	Very high	88 Å²	88	26.2 Å²	26.2	54%	0.54	16%	0.161	S	C	.	.	S	Bend	trans	-89.7	-5.6	168.9	52.8	0	0	0	0	112.3	F78 P240	F78-T238 HydrophobicContact CD1-CG2 4.45Å; F78-T238 HydrophobicContact CD2-CG2 3.75Å; F78-T238 HydrophobicContact CE1-CG2 4.36Å; F78-T238 HydrophobicContact CE2-CG2 3.7Å; F78-T238 HydrophobicContact CG-CG2 4.13Å; F78-T238 HydrophobicContact CZ-CG2 4Å; T238-P240 VanDerWaalsContact O-CD 3.3Å; T238-P240 WeakPolarHBondContact O-CD 3.36Å
239	D	85.3	Confident	92	Very high	57 Å²	57	32.3 Å²	32.3	31%	0.305	19%	0.188	S	C	.	.			trans	-79.6	115.1	175.5	-176.6	-17.1	0	0	0	110.5	S237 S241 A242 Y245 D261	S237-D239 WeakPolarHBondContact OG-CB 3.38Å; S237-D239 PolarHBondContact OG-N 3.02Å; D239-S241 VanDerWaalsContact CG-OG 3.22Å; D239-S241 PolarHBondContact O-N 2.99Å; D239-S241 WeakPolarHBondContact OD1-CA 3.49Å; D239-S241 VanDerWaalsContact OD1-CB 3.31Å; D239-S241 WeakPolarHBondContact OD1-CB 3.25Å; D239-S241 PolarHBondContact OD1-N 3.27Å; D239-S241 PolarHBondContact OD1-OG 3.11Å; D239-S241 PolarHBondContact OD2-OG 3.04Å; D239-A242 HydrophobicContact CB-CB 4.14Å; D239-A242 WeakPolarHBondContact O-CB 3.41Å; D239-A242 PolarHBondContact O-N 3.34Å; D239-Y245 VanDerWaalsContact O-CD2 3.28Å; D239-Y245 WeakPolarHBondContact O-CD2 3.39Å; D239-D261 HydrophobicContact CB-CB 4.49Å
240	P	85.4	Confident	91.6	Very high	77 Å²	77	36.3 Å²	36.3	50%	0.5	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-7.4	179.8	-20.1	33.6	0	0	0	115.2	T238 Y245	T238-P240 VanDerWaalsContact O-CD 3.3Å; T238-P240 WeakPolarHBondContact O-CD 3.36Å; P240-Y245 HydrophobicContact CB-CE1 4.43Å; P240-Y245 HydrophobicContact CB-CE2 4.19Å; P240-Y245 HydrophobicContact CG-CE2 4.05Å
241	S	86	Confident	91	Very high	66 Å²	66	37.9 Å²	37.9	46%	0.462	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-13.2	174.6	77.3	0	0	0	0	113.8	D239 P259	D239-S241 VanDerWaalsContact CG-OG 3.22Å; D239-S241 PolarHBondContact O-N 2.99Å; D239-S241 WeakPolarHBondContact OD1-CA 3.49Å; D239-S241 VanDerWaalsContact OD1-CB 3.31Å; D239-S241 WeakPolarHBondContact OD1-CB 3.25Å; D239-S241 PolarHBondContact OD1-N 3.27Å; D239-S241 PolarHBondContact OD1-OG 3.11Å; D239-S241 PolarHBondContact OD2-OG 3.04Å; S241-P259 WeakPolarHBondContact O-CG 3.28Å
242	A	91.6	Very high	90	Very high	6 Å²	6	39.8 Å²	39.8	5%	0.05	22%	0.221	C	C	.	.	S	Bend	trans	-70.6	149.9	178.2	0	0	0	0	0	111.9	D239 M244 Y245 D261 D262	D239-A242 HydrophobicContact CB-CB 4.14Å; D239-A242 WeakPolarHBondContact O-CB 3.41Å; D239-A242 PolarHBondContact O-N 3.34Å; A242-M244 VanDerWaalsContact C-N 3.31Å; A242-Y245 WeakPolarHBondContact O-CB 3.42Å; A242-Y245 PolarHBondContact O-N 2.56Å; A242-D261 HydrophobicContact CB-CB 4.18Å; A242-D262 WeakPolarHBondContact CA-OD2 3.47Å
243	L	95.9	Very high	88.9	Confident	9 Å²	9	40 Å²	40	5%	0.047	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-41.1	168.3	174.5	66.5	0	0	0	109.8	W149 A225 H226 Y245 Q251 F256 L258 P259 D262	W149-L243 HydrophobicContact CH2-CD2 4.29Å; W149-L243 HydrophobicContact CZ2-CD2 3.73Å; A225-L243 HydrophobicContact CB-CD1 4.23Å; A225-L243 HydrophobicContact CB-CD2 3.74Å; H226-L243 HydrophobicContact CB-CD1 4.34Å; H226-L243 HydrophobicContact CB-CG 4.41Å; H226-L243 PolarHBondContact ND1-O 3.32Å; L243-Y245 PolarHBondContact O-N 3.46Å; L243-Y245 VanDerWaalsContact O-N 3.07Å; L243-Q251 HydrophobicContact CD1-CG 4.12Å; L243-F256 HydrophobicContact CB-CZ 4.35Å; L243-F256 HydrophobicContact CD1-CZ 4.14Å; L243-F256 HydrophobicContact CD2-CE1 4.14Å; L243-F256 HydrophobicContact CD2-CZ 3.92Å; L243-F256 HydrophobicContact CG-CZ 4.37Å; L243-L258 HydrophobicContact CD2-CD2 3.7Å; L243-P259 HydrophobicContact CB-CG 4.48Å; L243-D262 VanDerWaalsContact N-CG 3.33Å; L243-D262 PolarHBondContact N-OD1 2.93Å; L243-D262 VanDerWaalsContact N-OD1 3.15Å; L243-D262 PolarHBondContact N-OD2 3.43Å
244	M	96.5	Very high	88.1	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.015	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	10.6	177.7	-64.2	-49.2	-61.8	0	0	114.2	W149 H226 H230 L234 H236 S237 A242 D262	W149-M244 HydrophobicContact CH2-CG 4.22Å; W149-M244 HydrophobicContact CH2-SD 4.18Å; W149-M244 HydrophobicContact CZ2-SD 4.01Å; H226-M244 VanDerWaalsContact CE1-C 3.48Å; H226-M244 WeakPolarHBondContact O-CE 3.31Å; H230-M244 WeakPolarHBondContact CE1-CE 3.35Å; H230-M244 WeakPolarHBondContact ND1-CE 3.3Å; L234-M244 HydrophobicContact CB-CE 4.13Å; L234-M244 HydrophobicContact CB-CG 4.21Å; L234-M244 HydrophobicContact CB-SD 4.46Å; L234-M244 HydrophobicContact CD1-CG 3.93Å; L234-M244 HydrophobicContact CD1-SD 4.39Å; H236-M244 CarbonylContact C-O 3.59Å; H236-M244 VanDerWaalsContact CA-O 3.27Å; H236-M244 WeakPolarHBondContact CA-O 3.24Å; H236-M244 PolarHBondContact CD2-O 2.9Å; S237-M244 PolarHBondContact N-O 2.73Å; A242-M244 VanDerWaalsContact C-N 3.31Å; M244-D262 WeakPolarHBondContact CB-OD1 3.47Å; M244-D262 VanDerWaalsContact CG-OD1 3.28Å; M244-D262 WeakPolarHBondContact CG-OD1 3.18Å; M244-D262 PolarHBondContact N-OD1 3.02Å
245	Y	94.2	Very high	86.9	Confident	30 Å²	30	44 Å²	44	12%	0.118	25%	0.246	C	C	.	.			trans	-71.6	135	171	-166.1	-107.4	0	0	0	110.6	F79 H226 S237 D239 P240 A242 L243 T247	F79-Y245 HydrophobicContact CD1-CE1 4.24Å; F79-Y245 AromaticContact CD1-CZ 3.73Å; F79-Y245 WeakPolarHBondContact CD1-OH 3.27Å; F79-Y245 HydrophobicContact CE1-CE1 4.04Å; F79-Y245 AromaticContact CE1-CZ 3.9Å; H226-Y245 PolarHBondContact CE1-O 3.23Å; H226-Y245 VanDerWaalsContact CE1-O 3.26Å; S237-Y245 WeakPolarHBondContact O-CD2 3.25Å; D239-Y245 VanDerWaalsContact O-CD2 3.28Å; D239-Y245 WeakPolarHBondContact O-CD2 3.39Å; P240-Y245 HydrophobicContact CB-CE1 4.43Å; P240-Y245 HydrophobicContact CB-CE2 4.19Å; P240-Y245 HydrophobicContact CG-CE2 4.05Å; A242-Y245 WeakPolarHBondContact O-CB 3.42Å; A242-Y245 PolarHBondContact O-N 2.56Å; L243-Y245 PolarHBondContact O-N 3.46Å; L243-Y245 VanDerWaalsContact O-N 3.07Å; Y245-T247 WeakPolarHBondContact CD1-OG1 3.4Å; Y245-T247 VanDerWaalsContact CE1-OG1 3.25Å; Y245-T247 WeakPolarHBondContact CE1-OG1 3.18Å; Y245-T247 PolarHBondContact O-N 3Å
246	P	93.9	Very high	86.5	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.013	23%	0.226	C	C	.	.	S	Bend	trans	-66.7	-33.8	-164.2	-16.8	22.7	0	0	0	115.6	F78 F79 R99 C100 D104 H236	F78-P246 HydrophobicContact CD1-CG 4.5Å; F78-P246 HydrophobicContact CE1-CG 3.44Å; F78-P246 VanDerWaalsContact CE1-CG 3.44Å; F78-P246 HydrophobicContact CZ-CG 3.8Å; F79-P246 HydrophobicContact CZ-CB 4.36Å; F79-P246 HydrophobicContact CZ-CG 4.16Å; R99-P246 CarbonylContact C-O 3.55Å; R99-P246 VanDerWaalsContact CA-O 3.23Å; R99-P246 WeakPolarHBondContact CA-O 3.38Å; R99-P246 WeakPolarHBondContact CB-O 3.32Å; C100-P246 PolarHBondContact N-O 3.43Å; D104-P246 VanDerWaalsContact OD1-CG 3.32Å; D104-P246 WeakPolarHBondContact OD1-CG 3.42Å; H236-P246 HydrophobicContact CB-CG 3.91Å
247	T	95.3	Very high	86	Confident	15 Å²	15	47.4 Å²	47.4	9%	0.092	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-82.9	137.7	-175.9	57.9	0	0	0	0	111.1	F79 K97 R99 Y245 K249	F79-T247 HydrophobicContact CE1-CG2 3.68Å; F79-T247 HydrophobicContact CZ-CG2 4.12Å; K97-T247 HydrophobicContact CB-CG2 3.92Å; K97-T247 HydrophobicContact CD-CG2 4.25Å; R99-T247 HydrophobicContact CB-CG2 4.41Å; Y245-T247 WeakPolarHBondContact CD1-OG1 3.4Å; Y245-T247 VanDerWaalsContact CE1-OG1 3.25Å; Y245-T247 WeakPolarHBondContact CE1-OG1 3.18Å; Y245-T247 PolarHBondContact O-N 3Å; T247-K249 PolarHBondContact O-N 2.96Å
248	Y	96.4	Very high	86.1	Confident	56 Å²	56	47.7 Å²	47.7	22%	0.22	25%	0.249	C	C	.	.			trans	-58.8	124.6	179.8	176.7	-101	0	0	0	112.1	P98 L189 F218 N219 T222 V223	P98-Y248 WeakPolarHBondContact O-CB 3.32Å; P98-Y248 PolarHBondContact O-N 2.9Å; L189-Y248 HydrophobicContact CD1-CD2 3.73Å; L189-Y248 HydrophobicContact CD1-CG 3.78Å; F218-Y248 AromaticContact CD1-CD1 3.73Å; F218-Y248 HydrophobicContact CD1-CD1 3.73Å; F218-Y248 HydrophobicContact CD1-CD2 4.06Å; F218-Y248 AromaticContact CD1-CE1 3.71Å; F218-Y248 HydrophobicContact CD1-CE1 3.71Å; F218-Y248 HydrophobicContact CD1-CE2 4.05Å; F218-Y248 AromaticContact CD1-CG 3.9Å; F218-Y248 HydrophobicContact CD1-CG 3.9Å; F218-Y248 AromaticContact CD1-CZ 3.87Å; F218-Y248 AromaticContact CE1-CD1 3.79Å; F218-Y248 HydrophobicContact CE1-CD1 3.79Å; F218-Y248 HydrophobicContact CE1-CE1 4.09Å; F218-Y248 HydrophobicContact CE1-CG 4.12Å; N219-Y248 WeakPolarHBondContact CB-OH 3.27Å; N219-Y248 PolarHBondContact N-OH 3.39Å; T222-Y248 HydrophobicContact CG2-CD2 4.06Å; T222-Y248 HydrophobicContact CG2-CE2 3.68Å; V223-Y248 HydrophobicContact CG2-CD2 3.83Å; V223-Y248 HydrophobicContact CG2-CE2 3.92Å
249	K	90.8	Very high	86.3	Confident	129 Å²	129	44.8 Å²	44.8	56%	0.561	23%	0.232	S	C	*	.			trans	-137.1	116.2	169.8	-176.3	-176.3	-177.8	-175.9	0	107.4	T222 T247 Q251	T222-K249 VanDerWaalsContact CG2-O 3.31Å; T222-K249 WeakPolarHBondContact CG2-O 3.44Å; T247-K249 PolarHBondContact O-N 2.96Å; K249-Q251 PolarHBondContact O-N 2.77Å
250	Y	89.2	Confident	86.5	Confident	83 Å²	83	51.4 Å²	51.4	33%	0.325	26%	0.258	S	S	.	.			trans	-49.2	129	-178.7	173.1	-98.9	0	0	0	112	G214 T215 N219 N252	G214-Y250 WeakPolarHBondContact O-CE2 3.33Å; T215-Y250 HydrophobicContact CG2-CD1 4.13Å; T215-Y250 HydrophobicContact CG2-CD2 3.9Å; T215-Y250 HydrophobicContact CG2-CE1 4.02Å; T215-Y250 HydrophobicContact CG2-CE2 3.78Å; T215-Y250 HydrophobicContact CG2-CG 4.07Å; N219-Y250 HydrophobicContact CB-CD2 3.65Å; N219-Y250 HydrophobicContact CB-CE2 3.76Å; Y250-N252 HydrophobicContact CE1-CB 4.22Å
251	Q	80.1	Confident	86.7	Confident	40 Å²	40	50.5 Å²	50.5	19%	0.187	25%	0.249	C	C	.	.			trans	-114.5	131.2	171.2	-59	-64.1	-17.1	0	0	108.5	F221 T222 L243 K249 P253 F256	F221-Q251 HydrophobicContact CE1-CB 4.3Å; T222-Q251 HydrophobicContact CG2-CB 4.09Å; T222-Q251 HydrophobicContact CG2-CG 3.88Å; T222-Q251 PolarHBondContact OG1-N 3.49Å; T222-Q251 PolarHBondContact OG1-O 3.29Å; L243-Q251 HydrophobicContact CD1-CG 4.12Å; K249-Q251 PolarHBondContact O-N 2.77Å; Q251-P253 VanDerWaalsContact O-CD 3.29Å; Q251-P253 WeakPolarHBondContact O-CD 3.46Å; Q251-F256 HydrophobicContact CB-CD2 4.01Å; Q251-F256 HydrophobicContact CB-CE2 3.83Å; Q251-F256 HydrophobicContact CG-CE2 3.91Å
252	N	76.7	Confident	87.2	Confident	40 Å²	40	47.5 Å²	47.5	21%	0.214	23%	0.228	C	C	.	.			trans	-70.9	119.9	176	-176.3	-5	0	0	0	109	Y250 Y254 F256	Y250-N252 HydrophobicContact CE1-CB 4.22Å; N252-Y254 VanDerWaalsContact C-N 3.28Å; N252-Y254 PolarHBondContact O-N 2.89Å; N252-Y254 PolarHBondContact OD1-N 3.37Å; N252-F256 WeakPolarHBondContact O-CB 3.49Å
253	P	72.4	Confident	87.3	Confident	4 Å²	4	49 Å²	49	3%	0.026	24%	0.237	C	C	.	.	S	Bend	trans	-61.2	-35.4	-178.6	23.6	-35	0	0	0	113.4	M144 F221 Q251	M144-P253 HydrophobicContact CE-CB 3.53Å; M144-P253 WeakPolarHBondContact CE-O 3.37Å; M144-P253 HydrophobicContact SD-CB 4.36Å; F221-P253 HydrophobicContact CB-CB 3.75Å; F221-P253 HydrophobicContact CD1-CB 3.52Å; F221-P253 HydrophobicContact CD1-CG 4.49Å; F221-P253 HydrophobicContact CD2-CB 3.92Å; F221-P253 VanDerWaalsContact CE1-CA 3.47Å; F221-P253 HydrophobicContact CE1-CB 4.1Å; F221-P253 HydrophobicContact CE2-CB 4.4Å; F221-P253 HydrophobicContact CG-CB 3.43Å; F221-P253 VanDerWaalsContact CG-CB 3.43Å; F221-P253 HydrophobicContact CZ-CB 4.49Å; Q251-P253 VanDerWaalsContact O-CD 3.29Å; Q251-P253 WeakPolarHBondContact O-CD 3.46Å
254	Y	72.3	Confident	87	Confident	74 Å²	74	56 Å²	56	29%	0.29	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	125.7	-174.9	-53.6	-74.9	0	0	0	109.7	M144 N252 F256 M344	M144-Y254 HydrophobicContact CE-CD1 3.64Å; M144-Y254 HydrophobicContact CE-CE1 3.83Å; M144-Y254 HydrophobicContact CE-CG 4.27Å; M144-Y254 HydrophobicContact SD-CD1 4.48Å; M144-Y254 HydrophobicContact SD-CE1 4.08Å; N252-Y254 VanDerWaalsContact C-N 3.28Å; N252-Y254 PolarHBondContact O-N 2.89Å; N252-Y254 PolarHBondContact OD1-N 3.37Å; Y254-F256 PolarHBondContact O-N 2.89Å; Y254-M344 WeakPolarHBondContact CB-SD 3.33Å; Y254-M344 HydrophobicContact CG-SD 4.46Å; Y254-M344 WeakPolarHBondContact O-CG 3.36Å
255	G	67.6	Low	86.8	Confident	43 Å²	43	57.1 Å²	57.1	44%	0.443	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	15.8	-178.4	0	0	0	0	0	114	H257 M344	G255-H257 PolarHBondContact O-CE1 3Å; G255-H257 PolarHBondContact O-N 3.43Å; G255-H257 PolarHBondContact O-ND1 3.44Å; G255-M344 PolarHBondContact N-SD 3.48Å; G255-M344 VanDerWaalsContact N-SD 3.39Å
256	F	78.4	Confident	86.8	Confident	35 Å²	35	55.7 Å²	55.7	15%	0.154	27%	0.273	C	S	.	.			trans	-58.2	133.2	174	-177.1	-103	0	0	0	110.9	A148 F221 L243 Q251 N252 Y254 L258	A148-F256 HydrophobicContact CB-CD1 3.76Å; A148-F256 HydrophobicContact CB-CE1 3.91Å; F221-F256 HydrophobicContact CE1-CB 4Å; F221-F256 HydrophobicContact CE1-CD1 4.18Å; F221-F256 HydrophobicContact CE1-CD2 4.03Å; F221-F256 AromaticContact CE1-CG 3.8Å; F221-F256 HydrophobicContact CE1-CG 3.8Å; F221-F256 HydrophobicContact CZ-CB 3.6Å; F221-F256 AromaticContact CZ-CD1 3.56Å; F221-F256 HydrophobicContact CZ-CD1 3.56Å; F221-F256 HydrophobicContact CZ-CD2 4.2Å; F221-F256 HydrophobicContact CZ-CE1 4.26Å; F221-F256 AromaticContact CZ-CG 3.51Å; F221-F256 HydrophobicContact CZ-CG 3.51Å; L243-F256 HydrophobicContact CB-CZ 4.35Å; L243-F256 HydrophobicContact CD1-CZ 4.14Å; L243-F256 HydrophobicContact CD2-CE1 4.14Å; L243-F256 HydrophobicContact CD2-CZ 3.92Å; L243-F256 HydrophobicContact CG-CZ 4.37Å; Q251-F256 HydrophobicContact CB-CD2 4.01Å; Q251-F256 HydrophobicContact CB-CE2 3.83Å; Q251-F256 HydrophobicContact CG-CE2 3.91Å; N252-F256 WeakPolarHBondContact O-CB 3.49Å; Y254-F256 PolarHBondContact O-N 2.89Å; F256-L258 HydrophobicContact CE1-CD2 3.87Å; F256-L258 HydrophobicContact CE1-CG 4.24Å; F256-L258 HydrophobicContact CZ-CD2 4.36Å
257	H	82.4	Confident	86.8	Confident	126 Å²	126	58.6 Å²	58.6	58%	0.583	29%	0.287	S	S	*	.			trans	-124	137	168.9	-63.7	73.7	0	0	0	107.3	G255	G255-H257 PolarHBondContact O-CE1 3Å; G255-H257 PolarHBondContact O-N 3.43Å; G255-H257 PolarHBondContact O-ND1 3.44Å
258	L	90.8	Very high	86.6	Confident	18 Å²	18	61.8 Å²	61.8	9%	0.094	32%	0.315	C	S	.	.			trans	-57.1	131.9	175.5	-74.9	168.7	0	0	0	110.3	A148 W149 A152 L243 F256 D262 V263	A148-L258 HydrophobicContact CB-CG 4.47Å; A148-L258 VanDerWaalsContact O-CD1 3.24Å; A148-L258 WeakPolarHBondContact O-CD1 3.42Å; W149-L258 HydrophobicContact CD2-CD1 4.06Å; W149-L258 HydrophobicContact CD2-CD2 4.14Å; W149-L258 HydrophobicContact CE3-CD1 3.4Å; W149-L258 VanDerWaalsContact CE3-CD1 3.4Å; W149-L258 HydrophobicContact CE3-CD2 3.88Å; W149-L258 HydrophobicContact CE3-CG 4.31Å; W149-L258 HydrophobicContact CH2-CD2 3.71Å; W149-L258 HydrophobicContact CZ2-CD2 3.98Å; W149-L258 HydrophobicContact CZ3-CD1 3.72Å; W149-L258 HydrophobicContact CZ3-CD2 3.65Å; W149-L258 HydrophobicContact CZ3-CG 4.34Å; A152-L258 HydrophobicContact CB-CD1 4.03Å; L243-L258 HydrophobicContact CD2-CD2 3.7Å; F256-L258 HydrophobicContact CE1-CD2 3.87Å; F256-L258 HydrophobicContact CE1-CG 4.24Å; F256-L258 HydrophobicContact CZ-CD2 4.36Å; L258-D262 HydrophobicContact CB-CB 4.42Å; L258-D262 HydrophobicContact CD2-CB 4.14Å; L258-V263 HydrophobicContact CB-CG2 3.58Å
259	P	90.5	Very high	86.2	Confident	28 Å²	28	60.2 Å²	60.2	18%	0.182	31%	0.31	C	S	.	.			trans	-58.3	158.9	170	-19.8	28.6	0	0	0	112	S241 L243 D261 D262 V263	S241-P259 WeakPolarHBondContact O-CG 3.28Å; L243-P259 HydrophobicContact CB-CG 4.48Å; P259-D261 VanDerWaalsContact C-N 3.29Å; P259-D261 PolarHBondContact O-N 2.88Å; P259-D262 WeakPolarHBondContact CB-OD2 3.49Å; P259-D262 WeakPolarHBondContact CD-OD2 3.32Å; P259-D262 WeakPolarHBondContact CG-OD2 3.47Å; P259-D262 PolarHBondContact O-N 3.06Å; P259-V263 WeakPolarHBondContact O-CG2 3.31Å; P259-V263 PolarHBondContact O-N 3.06Å
260	K	90.3	Very high	86.3	Confident	195 Å²	195	55.3 Å²	55.3	85%	0.848	29%	0.289	S	S	*	.	H	α-helix	trans	-60.7	-37.6	-171.5	-69.1	-177.6	-179.8	177.8	0	113.1	K264	K260-K264 WeakPolarHBondContact O-CB 3.44Å; K260-K264 PolarHBondContact O-N 3.24Å
261	D	90	Very high	86.4	Confident	59 Å²	59	52.5 Å²	52.5	32%	0.316	29%	0.285	S	S	.	.	H	α-helix	trans	-63.4	-46.1	178.4	-170.6	61.3	0	0	0	110.9	S237 D239 A242 P259 V263 K264 G265	S237-D261 VanDerWaalsContact CB-OD2 3.24Å; S237-D261 WeakPolarHBondContact CB-OD2 3.42Å; S237-D261 PolarHBondContact OG-OD2 2.88Å; D239-D261 HydrophobicContact CB-CB 4.49Å; A242-D261 HydrophobicContact CB-CB 4.18Å; P259-D261 VanDerWaalsContact C-N 3.29Å; P259-D261 PolarHBondContact O-N 2.88Å; D261-V263 PolarHBondContact O-N 3.37Å; D261-K264 WeakPolarHBondContact O-CB 3.25Å; D261-K264 PolarHBondContact O-N 3.33Å; D261-G265 PolarHBondContact O-N 3.39Å
262	D	95.3	Very high	86.9	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.011	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-43.2	177.4	-50.5	-79	0	0	0	112	W149 A242 L243 M244 L258 P259 K264 G265 I266	W149-D262 HydrophobicContact CH2-CB 3.98Å; W149-D262 HydrophobicContact CZ3-CB 4.12Å; A242-D262 WeakPolarHBondContact CA-OD2 3.47Å; L243-D262 VanDerWaalsContact N-CG 3.33Å; L243-D262 PolarHBondContact N-OD1 2.93Å; L243-D262 VanDerWaalsContact N-OD1 3.15Å; L243-D262 PolarHBondContact N-OD2 3.43Å; M244-D262 WeakPolarHBondContact CB-OD1 3.47Å; M244-D262 VanDerWaalsContact CG-OD1 3.28Å; M244-D262 WeakPolarHBondContact CG-OD1 3.18Å; M244-D262 PolarHBondContact N-OD1 3.02Å; L258-D262 HydrophobicContact CB-CB 4.42Å; L258-D262 HydrophobicContact CD2-CB 4.14Å; P259-D262 WeakPolarHBondContact CB-OD2 3.49Å; P259-D262 WeakPolarHBondContact CD-OD2 3.32Å; P259-D262 WeakPolarHBondContact CG-OD2 3.47Å; P259-D262 PolarHBondContact O-N 3.06Å; D262-K264 VanDerWaalsContact C-N 3.33Å; D262-K264 PolarHBondContact O-N 3.23Å; D262-G265 PolarHBondContact O-N 2.98Å; D262-I266 WeakPolarHBondContact O-CG2 3.29Å; D262-I266 PolarHBondContact O-N 2.93Å
263	V	93.6	Very high	87.2	Confident	39 Å²	39	57.8 Å²	57.8	24%	0.236	31%	0.311	C	S	.	.	H	α-helix	trans	-59.2	-45.5	175	173.5	0	0	0	0	110.7	L258 P259 D261 I266 Q267	L258-V263 HydrophobicContact CB-CG2 3.58Å; P259-V263 WeakPolarHBondContact O-CG2 3.31Å; P259-V263 PolarHBondContact O-N 3.06Å; D261-V263 PolarHBondContact O-N 3.37Å; V263-I266 WeakPolarHBondContact O-CG2 3.25Å; V263-Q267 HydrophobicContact CG1-CG 4.27Å; V263-Q267 VanDerWaalsContact O-CB 3.23Å; V263-Q267 WeakPolarHBondContact O-CB 3.37Å; V263-Q267 WeakPolarHBondContact O-CG 3.49Å; V263-Q267 PolarHBondContact O-N 3.39Å
264	K	90.5	Very high	87.2	Confident	154 Å²	154	66.2 Å²	66.2	67%	0.67	35%	0.347	S	S	*	.	H	α-helix	trans	-62.9	-45.4	178.8	-177.6	-174.3	174.4	-168.9	0	111	K260 D261 D262 A268	K260-K264 WeakPolarHBondContact O-CB 3.44Å; K260-K264 PolarHBondContact O-N 3.24Å; D261-K264 WeakPolarHBondContact O-CB 3.25Å; D261-K264 PolarHBondContact O-N 3.33Å; D262-K264 VanDerWaalsContact C-N 3.33Å; D262-K264 PolarHBondContact O-N 3.23Å; K264-A268 WeakPolarHBondContact O-CB 3.47Å; K264-A268 PolarHBondContact O-N 3.17Å
265	G	91.3	Very high	86.2	Confident	27 Å²	27	68.3 Å²	68.3	28%	0.278	37%	0.37	S	S	.	.	H	α-helix	trans	-60	-52.6	178.3	0	0	0	0	0	112	L234 D261 D262 Q267 A268	L234-G265 VanDerWaalsContact CD2-C 3.47Å; D261-G265 PolarHBondContact O-N 3.39Å; D262-G265 PolarHBondContact O-N 2.98Å; G265-Q267 PolarHBondContact O-N 2.86Å; G265-A268 WeakPolarHBondContact O-CB 3.5Å; G265-A268 PolarHBondContact O-N 3.29Å
266	I	94.3	Very high	85	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-68.7	-35.5	-176.2	-161.7	68.6	0	0	0	112.3	W149 A152 V153 L232 L234 D262 V263 A268 L269 Y270	W149-I266 HydrophobicContact CE3-CB 3.93Å; W149-I266 HydrophobicContact CE3-CD1 4.14Å; W149-I266 HydrophobicContact CE3-CG1 3.8Å; W149-I266 HydrophobicContact CE3-CG2 4.04Å; W149-I266 HydrophobicContact CZ3-CB 3.85Å; W149-I266 HydrophobicContact CZ3-CD1 4.44Å; W149-I266 HydrophobicContact CZ3-CG1 4.19Å; W149-I266 HydrophobicContact CZ3-CG2 4.06Å; A152-I266 HydrophobicContact CB-CG2 4.28Å; V153-I266 HydrophobicContact CG1-CB 4.23Å; V153-I266 HydrophobicContact CG1-CG1 3.83Å; V153-I266 HydrophobicContact CG1-CG2 3.71Å; V153-I266 HydrophobicContact CG2-CG1 4.1Å; L232-I266 HydrophobicContact CB-CD1 3.77Å; L232-I266 HydrophobicContact CD1-CD1 4.09Å; L234-I266 HydrophobicContact CD1-CB 4.21Å; L234-I266 HydrophobicContact CD1-CD1 4.12Å; L234-I266 HydrophobicContact CD2-CB 4.5Å; L234-I266 HydrophobicContact CD2-CD1 4.38Å; L234-I266 HydrophobicContact CG-CD1 4.12Å; D262-I266 WeakPolarHBondContact O-CG2 3.29Å; D262-I266 PolarHBondContact O-N 2.93Å; V263-I266 WeakPolarHBondContact O-CG2 3.25Å; I266-A268 VanDerWaalsContact C-N 3.31Å; I266-A268 PolarHBondContact O-N 3.07Å; I266-L269 PolarHBondContact O-N 3.47Å; I266-Y270 HydrophobicContact CD1-CD2 3.69Å; I266-Y270 HydrophobicContact CD1-CE2 3.68Å; I266-Y270 HydrophobicContact CG1-CD2 3.99Å; I266-Y270 HydrophobicContact CG1-CE2 4.47Å; I266-Y270 PolarHBondContact O-N 3.18Å
267	Q	94.3	Very high	83.2	Confident	63 Å²	63	82.4 Å²	82.4	29%	0.294	43%	0.427	S	S	.	.	H	α-helix	trans	-72.3	-24.4	176.4	-71.6	-179.2	-13.4	0	0	112.7	A152 V153 V263 G265 L269 G271 P272	A152-Q267 PolarHBondContact O-NE2 3.26Å; V153-Q267 HydrophobicContact CG1-CG 3.89Å; V263-Q267 HydrophobicContact CG1-CG 4.27Å; V263-Q267 VanDerWaalsContact O-CB 3.23Å; V263-Q267 WeakPolarHBondContact O-CB 3.37Å; V263-Q267 WeakPolarHBondContact O-CG 3.49Å; V263-Q267 PolarHBondContact O-N 3.39Å; G265-Q267 PolarHBondContact O-N 2.86Å; Q267-L269 PolarHBondContact O-N 2.75Å; Q267-G271 WeakPolarHBondContact O-CA 3.44Å; Q267-G271 PolarHBondContact O-N 3.09Å; Q267-P272 HydrophobicContact CG-CB 4.43Å
268	A	90.6	Very high	81	Confident	83 Å²	83	79.7 Å²	79.7	69%	0.686	43%	0.432	S	S	*	.	H	α-helix	trans	-64.1	-33.5	171.1	0	0	0	0	0	111.6	K264 G265 I266	K264-A268 WeakPolarHBondContact O-CB 3.47Å; K264-A268 PolarHBondContact O-N 3.17Å; G265-A268 WeakPolarHBondContact O-CB 3.5Å; G265-A268 PolarHBondContact O-N 3.29Å; I266-A268 VanDerWaalsContact C-N 3.31Å; I266-A268 PolarHBondContact O-N 3.07Å
269	L	89.2	Confident	78.4	Confident	23 Å²	23	88.1 Å²	88.1	12%	0.12	47%	0.468	C	S	.	.	H	α-helix	trans	-81.5	-46.4	178.9	-63.5	176.5	0	0	0	113	E114 K116 L234 I266 Q267	E114-L269 HydrophobicContact CB-CD2 4.1Å; K116-L269 WeakPolarHBondContact CD-O 3.39Å; L234-L269 HydrophobicContact CD2-CD1 3.89Å; I266-L269 PolarHBondContact O-N 3.47Å; Q267-L269 PolarHBondContact O-N 2.75Å
270	Y	91.9	Very high	75.7	Confident	26 Å²	26	92.8 Å²	92.8	10%	0.102	50%	0.499	C	S	.	.	H	α-helix	trans	-113.2	-6.8	-167.7	-63.1	-75.6	0	0	0	115	K116 W117 P154 L155 L232 I266	K116-Y270 HydrophobicContact CB-CE1 4.18Å; W117-Y270 HydrophobicContact CB-CE1 4.25Å; W117-Y270 VanDerWaalsContact CD1-OH 3.32Å; W117-Y270 PolarHBondContact N-OH 3.4Å; P154-Y270 WeakPolarHBondContact CD-O 3.23Å; P154-Y270 WeakPolarHBondContact CG-O 3.21Å; L155-Y270 HydrophobicContact CD1-CD1 4.06Å; L155-Y270 HydrophobicContact CD1-CD2 4.03Å; L155-Y270 HydrophobicContact CD1-CE1 4.01Å; L155-Y270 HydrophobicContact CD1-CE2 3.99Å; L155-Y270 HydrophobicContact CD1-CG 4.05Å; L155-Y270 HydrophobicContact CD2-CD1 3.73Å; L155-Y270 HydrophobicContact CD2-CE1 3.9Å; L155-Y270 HydrophobicContact CD2-CG 4.34Å; L155-Y270 HydrophobicContact CG-CD1 4.12Å; L155-Y270 HydrophobicContact CG-CE1 4.42Å; L155-Y270 HydrophobicContact CG-CG 4.24Å; L232-Y270 HydrophobicContact CB-CE2 4.22Å; L232-Y270 VanDerWaalsContact O-CE2 3.24Å; L232-Y270 WeakPolarHBondContact O-CE2 3.24Å; L232-Y270 PolarHBondContact O-OH 3.28Å; I266-Y270 HydrophobicContact CD1-CD2 3.69Å; I266-Y270 HydrophobicContact CD1-CE2 3.68Å; I266-Y270 HydrophobicContact CG1-CD2 3.99Å; I266-Y270 HydrophobicContact CG1-CE2 4.47Å; I266-Y270 PolarHBondContact O-N 3.18Å
271	G	91.4	Very high	73	Confident	24 Å²	24	91.2 Å²	91.2	25%	0.247	50%	0.497	C	S	.	.			trans	72.7	162.4	-171.2	0	0	0	0	0	113.2	V153 P154 Q267	V153-G271 WeakPolarHBondContact CG1-O 3.33Å; P154-G271 WeakPolarHBondContact CD-O 3.43Å; Q267-G271 WeakPolarHBondContact O-CA 3.44Å; Q267-G271 PolarHBondContact O-N 3.09Å
272	P	92	Very high	70.3	Confident	81 Å²	81	94.2 Å²	94.2	53%	0.526	52%	0.516	S	S	.	.			trans	-70.3	146.6	175.7	30	-34.6	0	0	0	111.1	Q267 K274	Q267-P272 HydrophobicContact CG-CB 4.43Å; P272-K274 PolarHBondContact O-N 3.33Å; P272-K274 VanDerWaalsContact O-N 3.11Å
273	R	81.3	Confident	67.7	Low	110 Å²	110	99.3 Å²	99.3	42%	0.415	55%	0.55	S	S	.	.			trans	-61.7	114.5	170.2	-168	173.4	-176.7	121.9	2.9	109.5	S150 A152	S150-R273 PolarHBondContact O-NH1 2.82Å; A152-R273 PolarHBondContact O-N 3.44Å
274	K	72.4	Confident	65	Low	180 Å²	180	105.9 Å²	105.9	78%	0.783	58%	0.578	S	S	*	*			trans	-70.3	131.2	173.2	-66.4	-175	-178.2	180	0	108.9	P272 F276	P272-K274 PolarHBondContact O-N 3.33Å; P272-K274 VanDerWaalsContact O-N 3.11Å; K274-F276 PolarHBondContact O-N 3.31Å
275	P	52.8	Low	62.2	Low	119 Å²	119	102.3 Å²	102.3	77%	0.773	58%	0.576	S	S	*	*			trans	-58.2	131.6	169.5	-16.5	28.1	0	0	0	108.7	L277	P275-L277 PolarHBondContact O-N 3.48Å
276	F	42.1	Very low	59.6	Low	188 Å²	188	105.8 Å²	105.8	83%	0.825	59%	0.594	S	S	*	*			trans	-58.5	113.2	170.8	-80.9	-90.1	0	0	0	108.5	K274 G278	K274-F276 PolarHBondContact O-N 3.31Å; F276-G278 PolarHBondContact O-N 2.89Å
277	L	40.7	Very low	57	Low	186 Å²	186	112 Å²	112	97%	0.974	64%	0.635	S	S	*	*	S	Bend	trans	-66.4	83	170.5	-76.8	162.4	0	0	0	108.5	P275	P275-L277 PolarHBondContact O-N 3.48Å
278	G	36.8	Very low	54	Low	68 Å²	68	116.3 Å²	116.3	70%	0.701	66%	0.655	S	S	*	*			trans	-155.9	16.9	-177.3	0	0	0	0	0	114.6	F276	F276-G278 PolarHBondContact O-N 2.89Å
279	K	34.2	Very low	51.1	Low	195 Å²	195	121.1 Å²	121.1	85%	0.848	66%	0.66	S	S	*	*	S	Bend	trans	-134.3	144	163.7	-79.9	-171.7	176	-177.4	0	109.6	M281	K279-M281 PolarHBondContact O-N 2.99Å
280	P	35.1	Very low	48.5	Very low	127 Å²	127	126.5 Å²	126.5	83%	0.825	70%	0.696	S	S	*	*			trans	-56.4	131.7	-169.6	-20.9	31.2	0	0	0	111.4	V282	P280-V282 PolarHBondContact O-N 3.48Å; P280-V282 VanDerWaalsContact O-N 3.13Å
281	M	32.3	Very low	46	Very low	162 Å²	162	129 Å²	129	80%	0.798	72%	0.717	S	S	*	*			trans	-64.1	107.3	176.5	-166.2	163.4	88.1	0	0	109.1	K279	K279-M281 PolarHBondContact O-N 2.99Å
282	V	35	Very low	44	Very low	121 Å²	121	132.7 Å²	132.7	73%	0.733	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-82.2	129	151.8	-172.7	0	0	0	0	105.8	P280 H284	P280-V282 PolarHBondContact O-N 3.48Å; P280-V282 VanDerWaalsContact O-N 3.13Å; V282-H284 PolarHBondContact O-N 3.35Å
283	P	39.8	Very low	42.2	Very low	109 Å²	109	131.8 Å²	131.8	71%	0.708	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-54	130.7	-172.2	-25.6	33	0	0	0	112.7	A285	P283-A285 PolarHBondContact O-N 2.89Å
284	H	36.8	Very low	41.1	Very low	178 Å²	178	132.5 Å²	132.5	82%	0.824	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-68.8	116.8	174.7	-75.3	52.5	0	0	0	110	V282	V282-H284 PolarHBondContact O-N 3.35Å
285	A	31.1	Very low	40.5	Very low	78 Å²	78	124.5 Å²	124.5	65%	0.645	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-76.6	157.2	151.9	0	0	0	0	0	109.4	P283	P283-A285 PolarHBondContact O-N 2.89Å
286	P	38.4	Very low	41	Very low	101 Å²	101	122.7 Å²	122.7	66%	0.656	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-59.1	159.5	-174.4	-13.2	25.6	0	0	0	112	H288	P286-H288 VanDerWaalsContact C-N 3.35Å; P286-H288 PolarHBondContact O-N 2.94Å
287	P	39.3	Very low	42.2	Very low	131 Å²	131	117.4 Å²	117.4	85%	0.851	68%	0.677	S	S	*	*			trans	-66	94.8	-179.2	27.7	-32.1	0	0	0	109.7	K289	P287-K289 PolarHBondContact O-N 2.9Å
288	H	30.6	Very low	43	Very low	153 Å²	153	113 Å²	113	71%	0.708	66%	0.662	S	S	*	*			trans	-59.9	124.5	165	-94.3	-91.2	0	0	0	107.3	P286	P286-H288 VanDerWaalsContact C-N 3.35Å; P286-H288 PolarHBondContact O-N 2.94Å
289	K	29.3	Very low	44.5	Very low	183 Å²	183	113.3 Å²	113.3	80%	0.796	65%	0.653	S	S	*	*			trans	-38	143	158.1	-67	176.1	178.7	179.1	0	107.9	P287 S291	P287-K289 PolarHBondContact O-N 2.9Å; K289-S291 PolarHBondContact O-N 3.31Å; K289-S291 PolarHBondContact O-OG 3.2Å
290	P	35.8	Very low	46.4	Very low	136 Å²	136	104.6 Å²	104.6	88%	0.883	62%	0.617	S	S	*	*			trans	-57.5	96.2	175.9	22.6	-30.3	0	0	0	108	T292	P290-T292 PolarHBondContact O-N 3.46Å
291	S	39.8	Very low	48.9	Very low	78 Å²	78	99.5 Å²	99.5	55%	0.545	58%	0.584	S	S	.	*			trans	-59.5	130.3	172.7	-36.7	0	0	0	0	103.8	K289 P293	K289-S291 PolarHBondContact O-N 3.31Å; K289-S291 PolarHBondContact O-OG 3.2Å; S291-P293 WeakPolarHBondContact O-CD 3.32Å
292	T	47.6	Very low	51.8	Low	103 Å²	103	91.9 Å²	91.9	63%	0.632	55%	0.547	S	S	*	.			trans	-43.7	120	152.2	39.9	0	0	0	0	106.4	P290 D294	P290-T292 PolarHBondContact O-N 3.46Å; T292-D294 PolarHBondContact O-N 3.4Å; T292-D294 VanDerWaalsContact O-N 3.08Å
293	P	54.8	Low	54.5	Low	62 Å²	62	87.6 Å²	87.6	40%	0.403	52%	0.52	S	S	.	.			trans	-46	123.5	177.1	-26.1	31.1	0	0	0	108.2	S291 L295 I319	S291-P293 WeakPolarHBondContact O-CD 3.32Å; P293-L295 HydrophobicContact CB-CD1 4.18Å; P293-L295 HydrophobicContact CB-CG 4.15Å; P293-L295 WeakPolarHBondContact O-CD1 3.41Å; P293-L295 PolarHBondContact O-N 2.81Å; P293-I319 HydrophobicContact CG-CD1 4.28Å
294	D	57.9	Low	57.2	Low	124 Å²	124	82.4 Å²	82.4	66%	0.663	49%	0.486	S	S	*	.			trans	-73.9	87	177.1	-170.4	-2.1	0	0	0	107.1	T292 C296 D297	T292-D294 PolarHBondContact O-N 3.4Å; T292-D294 VanDerWaalsContact O-N 3.08Å; D294-C296 PolarHBondContact O-N 2.95Å; D294-D297 WeakPolarHBondContact O-CB 3.46Å; D294-D297 PolarHBondContact O-N 3.48Å
295	L	59.6	Low	59.9	Low	12 Å²	12	74 Å²	74	6%	0.063	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-2.6	-171.5	-67.3	118.6	0	0	0	113.8	P293 S300 F302 K316 W321 S478 I481	P293-L295 HydrophobicContact CB-CD1 4.18Å; P293-L295 HydrophobicContact CB-CG 4.15Å; P293-L295 WeakPolarHBondContact O-CD1 3.41Å; P293-L295 PolarHBondContact O-N 2.81Å; L295-S300 WeakPolarHBondContact CA-OG 3.42Å; L295-S300 VanDerWaalsContact O-CB 3.32Å; L295-S300 WeakPolarHBondContact O-CB 3.36Å; L295-S300 PolarHBondContact O-OG 3.23Å; L295-F302 HydrophobicContact CD2-CE1 3.94Å; L295-K316 HydrophobicContact CD2-CB 4.37Å; L295-K316 HydrophobicContact CD2-CG 4.32Å; L295-W321 HydrophobicContact CD1-CH2 3.06Å; L295-W321 HydrophobicContact CD1-CZ2 2.97Å; L295-W321 HydrophobicContact CD1-CZ3 3.92Å; L295-W321 HydrophobicContact CD2-CH2 3.9Å; L295-W321 HydrophobicContact CD2-CZ3 4.07Å; L295-W321 HydrophobicContact CG-CH2 4.09Å; L295-W321 HydrophobicContact CG-CZ2 4.34Å; L295-S478 WeakPolarHBondContact O-CB 3.13Å; L295-I481 HydrophobicContact CB-CD1 3.15Å; L295-I481 HydrophobicContact CD1-CD1 4.15Å; L295-I481 HydrophobicContact CD2-CD1 4.36Å; L295-I481 HydrophobicContact CG-CD1 4.09Å
296	C	64.8	Low	63	Low	82 Å²	82	70.4 Å²	70.4	55%	0.554	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.1	163.2	-66.1	0	0	0	0	111.6	D294 C483	D294-C296 PolarHBondContact O-N 2.95Å; C296-C483 WeakPolarHBondContact CA-SG 3.48Å; C296-C483 HydrophobicContact CB-CB 3.8Å; C296-C483 WeakPolarHBondContact CB-SG 3.4Å; C296-C483 WeakPolarHBondContact SG-CB 3.4Å; C296-C483 CovalentContact SG-SG 2.04Å; C296-C483 PolarHBondContact SG-SG 2.95Å
297	D	65.8	Low	65.5	Low	76 Å²	76	67.2 Å²	67.2	41%	0.406	39%	0.394	S	S	.	.	S	Bend	trans	-63.4	141.9	168.6	-172.7	20.9	0	0	0	110.5	D294 S299 S300	D294-D297 WeakPolarHBondContact O-CB 3.46Å; D294-D297 PolarHBondContact O-N 3.48Å; D297-S299 PolarHBondContact O-N 3.41Å; D297-S299 PolarHBondContact OD2-OG 2.89Å; D297-S300 WeakPolarHBondContact O-CB 3.28Å; D297-S300 PolarHBondContact O-N 3.37Å; D297-S300 VanDerWaalsContact O-N 3.17Å; D297-S300 PolarHBondContact O-OG 2.88Å
298	S	58.5	Low	67.9	Low	93 Å²	93	61.5 Å²	61.5	65%	0.65	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-11.1	-179.6	58.5	0	0	0	0	114.8	P459	S298-P459 VanDerWaalsContact O-CB 3.25Å; S298-P459 WeakPolarHBondContact O-CB 3.38Å
299	S	67.2	Low	70.6	Confident	76 Å²	76	56.6 Å²	56.6	53%	0.531	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	1.2	-179.1	71.3	0	0	0	0	114.8	D297 S301	D297-S299 PolarHBondContact O-N 3.41Å; D297-S299 PolarHBondContact OD2-OG 2.89Å; S299-S301 PolarHBondContact O-N 3.44Å
300	S	74.6	Confident	73.1	Confident	12 Å²	12	56.1 Å²	56.1	8%	0.084	35%	0.345	C	S	.	.			trans	-69.2	125.8	-167.1	-59.4	0	0	0	0	113.8	L295 D297 P459 S477	L295-S300 WeakPolarHBondContact CA-OG 3.42Å; L295-S300 VanDerWaalsContact O-CB 3.32Å; L295-S300 WeakPolarHBondContact O-CB 3.36Å; L295-S300 PolarHBondContact O-OG 3.23Å; D297-S300 WeakPolarHBondContact O-CB 3.28Å; D297-S300 PolarHBondContact O-N 3.37Å; D297-S300 VanDerWaalsContact O-N 3.17Å; D297-S300 PolarHBondContact O-OG 2.88Å; S300-P459 WeakPolarHBondContact O-CA 3.24Å; S300-S477 VanDerWaalsContact O-CB 3.32Å; S300-S477 WeakPolarHBondContact O-CB 3.48Å
301	S	88.8	Confident	75.4	Confident	20 Å²	20	51.3 Å²	51.3	14%	0.14	31%	0.311	C	S	.	.			trans	-125.3	169	173.6	78.8	0	0	0	0	111.8	S299 K316 G458	S299-S301 PolarHBondContact O-N 3.44Å; S301-K316 WeakPolarHBondContact O-CD 3.38Å; S301-K316 WeakPolarHBondContact O-CE 3.33Å; S301-K316 PolarHBondContact O-NZ 3.05Å; S301-K316 PolarHBondContact OG-NZ 2.95Å; S301-G458 WeakPolarHBondContact CA-O 3.47Å; S301-G458 WeakPolarHBondContact CB-O 3.46Å
302	F	91.4	Very high	77.8	Confident	1 Å²	1	47.9 Å²	47.9	0%	0.004	29%	0.286	C	S	.	.			trans	-114.5	143.9	175	-62.4	-67.9	0	0	0	110.5	L295 V305 L314 F315 K316 W321 D444 F456 S477 W480 I481	L295-F302 HydrophobicContact CD2-CE1 3.94Å; F302-V305 HydrophobicContact CB-CG2 3.85Å; F302-V305 HydrophobicContact CD2-CG2 4.25Å; F302-V305 HydrophobicContact CG-CG2 4.16Å; F302-L314 HydrophobicContact CD1-CB 3.8Å; F302-L314 HydrophobicContact CD1-CD2 4.39Å; F302-L314 HydrophobicContact CD2-CD2 3.96Å; F302-L314 HydrophobicContact CE1-CB 3.74Å; F302-L314 HydrophobicContact CE1-CD2 4.04Å; F302-L314 HydrophobicContact CE2-CD2 3.55Å; F302-L314 HydrophobicContact CG-CB 4.32Å; F302-L314 HydrophobicContact CG-CD2 4.36Å; F302-L314 HydrophobicContact CZ-CB 4.2Å; F302-L314 HydrophobicContact CZ-CD2 3.61Å; F302-F315 CarbonylContact C-O 3.58Å; F302-F315 WeakPolarHBondContact CA-O 3.5Å; F302-K316 HydrophobicContact CD1-CB 4.48Å; F302-W321 HydrophobicContact CE1-CE3 4.18Å; F302-W321 HydrophobicContact CE1-CZ3 4.2Å; F302-D444 WeakPolarHBondContact O-CB 3.23Å; F302-F456 AromaticContact CD2-CD1 3.75Å; F302-F456 HydrophobicContact CD2-CD1 3.75Å; F302-F456 AromaticContact CD2-CE1 3.88Å; F302-F456 HydrophobicContact CD2-CE1 3.88Å; F302-F456 HydrophobicContact CE2-CD1 4.37Å; F302-F456 HydrophobicContact CE2-CE1 4.17Å; F302-S477 WeakPolarHBondContact CE2-O 3.47Å; F302-W480 HydrophobicContact CE2-CB 4.48Å; F302-I481 HydrophobicContact CE1-CG2 4.28Å; F302-I481 HydrophobicContact CZ-CG2 3.93Å
303	D	92.6	Very high	79.9	Confident	31 Å²	31	43 Å²	43	17%	0.166	26%	0.256	C	S	.	.	S	Bend	trans	-82.5	-25	176.4	-56.9	-13.6	0	0	0	111.4	F315 K316 G317 N346 V347 D348	D303-F315 PolarHBondContact N-O 3.02Å; D303-K316 WeakPolarHBondContact OD1-CD 3.18Å; D303-K316 IonicContact OD1-NZ 2.67Å; D303-K316 PolarHBondContact OD1-NZ 3.03Å; D303-G317 PolarHBondContact OD2-N 3.39Å; D303-N346 PolarHBondContact OD2-ND2 2.94Å; D303-V347 VanDerWaalsContact CB-O 3.28Å; D303-V347 WeakPolarHBondContact CB-O 3.08Å; D303-D348 CarbonylContact O-C 3.55Å
304	A	95.7	Very high	81.6	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	151.7	173.4	0	0	0	0	0	109.8	F315 V347 A350	A304-F315 HydrophobicContact CB-CB 4.18Å; A304-F315 HydrophobicContact CB-CD2 4.15Å; A304-F315 HydrophobicContact CB-CG 4.43Å; A304-F315 WeakPolarHBondContact O-CB 3.19Å; A304-F315 PolarHBondContact O-N 3.41Å; A304-V347 HydrophobicContact CB-CB 4.28Å; A304-V347 HydrophobicContact CB-CG1 3.9Å; A304-A350 HydrophobicContact CB-CB 4.3Å
305	V	95.3	Very high	83.1	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	131.2	173.6	-178.5	0	0	0	0	107.7	F302 L312 L313 L314 A445 A446 V447 F456	F302-V305 HydrophobicContact CB-CG2 3.85Å; F302-V305 HydrophobicContact CD2-CG2 4.25Å; F302-V305 HydrophobicContact CG-CG2 4.16Å; V305-L312 HydrophobicContact CG1-CD1 3.76Å; V305-L312 HydrophobicContact CG1-CG 4.37Å; V305-L313 WeakPolarHBondContact CA-O 3.32Å; V305-L314 HydrophobicContact CG1-CG 4.33Å; V305-L314 HydrophobicContact CG2-CD2 4.27Å; V305-L314 HydrophobicContact CG2-CG 4.4Å; V305-A445 HydrophobicContact CB-CB 4.06Å; V305-A445 HydrophobicContact CG2-CB 3.79Å; V305-A446 VanDerWaalsContact O-O 3.08Å; V305-V447 HydrophobicContact CG1-CB 3.98Å; V305-V447 HydrophobicContact CG1-CG1 3.8Å; V305-F456 HydrophobicContact CB-CD2 4.38Å; V305-F456 HydrophobicContact CB-CE2 4.02Å; V305-F456 HydrophobicContact CB-CZ 4.47Å; V305-F456 HydrophobicContact CG1-CE2 4.05Å; V305-F456 HydrophobicContact CG1-CZ 4.22Å; V305-F456 HydrophobicContact CG2-CD1 4.46Å; V305-F456 HydrophobicContact CG2-CD2 4Å; V305-F456 HydrophobicContact CG2-CE1 4.29Å; V305-F456 HydrophobicContact CG2-CE2 3.83Å; V305-F456 HydrophobicContact CG2-CG 4.33Å; V305-F456 HydrophobicContact CG2-CZ 3.98Å
306	T	95.3	Very high	84.5	Confident	4 Å²	4	35.9 Å²	35.9	3%	0.025	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	159.8	176.2	-174.8	0	0	0	0	111.1	L313 F315 A350 Y351 E352 F361	T306-L313 HydrophobicContact CG2-CB 4.34Å; T306-L313 PolarHBondContact N-O 3.37Å; T306-L313 PolarHBondContact O-N 3.31Å; T306-F315 HydrophobicContact CG2-CE2 4.12Å; T306-A350 HydrophobicContact CG2-CB 3.61Å; T306-Y351 VanDerWaalsContact OG1-C 3.28Å; T306-Y351 VanDerWaalsContact OG1-CA 3.23Å; T306-Y351 WeakPolarHBondContact OG1-CA 3.24Å; T306-E352 PolarHBondContact OG1-N 3.47Å; T306-F361 HydrophobicContact CG2-CE1 4.18Å
307	M	91.1	Very high	85.3	Confident	34 Å²	34	33.3 Å²	33.3	17%	0.167	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	150.6	160.4	-68.6	-59.2	-67	0	0	110.9	E311 L312 V325 E352 V447 L449	M307-E311 CarbonylContact C-O 3.49Å; M307-E311 WeakPolarHBondContact CA-O 3.49Å; M307-L312 HydrophobicContact SD-CB 4.01Å; M307-L312 HydrophobicContact SD-CD1 3.76Å; M307-V325 HydrophobicContact CE-CG2 3.63Å; M307-V325 HydrophobicContact SD-CG2 4.05Å; M307-E352 VanDerWaalsContact C-OE2 3.26Å; M307-E352 VanDerWaalsContact O-CB 3.27Å; M307-E352 WeakPolarHBondContact O-CB 3.39Å; M307-V447 HydrophobicContact CG-CG2 4.1Å; M307-L449 HydrophobicContact CG-CD2 3.93Å; M307-L449 HydrophobicContact SD-CD2 3.57Å; M307-L449 VanDerWaalsContact SD-CD2 3.57Å
308	L	89.9	Confident	86	Confident	10 Å²	10	37.4 Å²	37.4	5%	0.052	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	96.2	162.8	-169.9	67.1	0	0	0	108.4	K310 E311 L313 F340 E352 A359 F373	L308-K310 PolarHBondContact O-N 2.93Å; L308-K310 VanDerWaalsContact O-N 3.13Å; L308-E311 PolarHBondContact N-O 3.26Å; L308-E311 PolarHBondContact O-N 3.45Å; L308-L313 HydrophobicContact CB-CD1 3.77Å; L308-L313 HydrophobicContact CB-CG 4.15Å; L308-L313 HydrophobicContact CD2-CD1 3.87Å; L308-L313 HydrophobicContact CG-CD1 4.48Å; L308-F340 HydrophobicContact CD2-CE1 4.21Å; L308-F340 HydrophobicContact CD2-CZ 3.9Å; L308-E352 WeakPolarHBondContact CA-OE2 3.37Å; L308-E352 PolarHBondContact N-OE2 3.18Å; L308-A359 HydrophobicContact CD1-CB 3.53Å; L308-F373 HydrophobicContact CD2-CD1 4.04Å; L308-F373 HydrophobicContact CD2-CD2 4.25Å; L308-F373 HydrophobicContact CD2-CE1 3.74Å; L308-F373 HydrophobicContact CD2-CE2 3.94Å; L308-F373 HydrophobicContact CD2-CG 4.29Å; L308-F373 HydrophobicContact CD2-CZ 3.67Å
309	G	86.2	Confident	87.1	Confident	51 Å²	51	34.1 Å²	34.1	53%	0.526	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	-108	-169.5	0	0	0	0	0	111.8	E352	G309-E352 VanDerWaalsContact N-CD 3.34Å; G309-E352 PolarHBondContact N-OE1 3.36Å; G309-E352 VanDerWaalsContact N-OE1 3.08Å; G309-E352 PolarHBondContact N-OE2 3.01Å
310	K	82.4	Confident	88.1	Confident	172 Å²	172	30.5 Å²	30.5	75%	0.748	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	5.8	-179.1	-62.4	-174.4	-178.8	-178.1	0	113.4	L308	L308-K310 PolarHBondContact O-N 2.93Å; L308-K310 VanDerWaalsContact O-N 3.13Å
311	E	85.1	Confident	88.6	Confident	36 Å²	36	30.7 Å²	30.7	17%	0.168	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.6	-177.1	-62.5	-173.4	159.1	0	0	110.3	M307 L308 L313 R322 R323 Q324	M307-E311 CarbonylContact C-O 3.49Å; M307-E311 WeakPolarHBondContact CA-O 3.49Å; L308-E311 PolarHBondContact N-O 3.26Å; L308-E311 PolarHBondContact O-N 3.45Å; E311-L313 HydrophobicContact CB-CD2 4.42Å; E311-R322 VanDerWaalsContact CD-NH2 3.33Å; E311-R322 IonicContact OE1-CZ 2.78Å; E311-R322 IonicContact OE1-NE 3.99Å; E311-R322 IonicContact OE1-NH2 2.77Å; E311-R322 PolarHBondContact OE1-NH2 2.99Å; E311-R322 IonicContact OE2-CZ 2.7Å; E311-R322 IonicContact OE2-NE 3.16Å; E311-R322 PolarHBondContact OE2-NE 3.25Å; E311-R322 IonicContact OE2-NH2 3.98Å; E311-R322 PolarHBondContact OE2-NH2 3.07Å; E311-R323 WeakPolarHBondContact CA-O 3.29Å; E311-Q324 HydrophobicContact CG-CG 4.16Å
312	L	89.2	Confident	88.4	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.6	167.1	-174.7	69.5	0	0	0	108.4	V305 M307 L314 R323 V325 V447 L449 W480	V305-L312 HydrophobicContact CG1-CD1 3.76Å; V305-L312 HydrophobicContact CG1-CG 4.37Å; M307-L312 HydrophobicContact SD-CB 4.01Å; M307-L312 HydrophobicContact SD-CD1 3.76Å; L312-L314 HydrophobicContact CD2-CD1 4.04Å; L312-L314 HydrophobicContact CD2-CG 4.46Å; L312-L314 HydrophobicContact CG-CD1 4.1Å; L312-L314 HydrophobicContact CG-CG 4.45Å; L312-R323 HydrophobicContact CB-CB 4.48Å; L312-R323 PolarHBondContact N-O 3.01Å; L312-R323 PolarHBondContact O-N 3.34Å; L312-V325 HydrophobicContact CB-CG2 4.45Å; L312-V447 HydrophobicContact CD1-CG1 4.34Å; L312-V447 HydrophobicContact CD1-CG2 4.09Å; L312-L449 HydrophobicContact CD1-CD1 4.37Å; L312-W480 HydrophobicContact CD2-CE3 3.6Å; L312-W480 HydrophobicContact CD2-CZ3 3.82Å
313	L	91.1	Very high	87.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.8	177.1	-56	-170.5	0	0	0	109.3	V305 T306 L308 E311 F315 F320 W321 R322 F340	V305-L313 WeakPolarHBondContact CA-O 3.32Å; T306-L313 HydrophobicContact CG2-CB 4.34Å; T306-L313 PolarHBondContact N-O 3.37Å; T306-L313 PolarHBondContact O-N 3.31Å; L308-L313 HydrophobicContact CB-CD1 3.77Å; L308-L313 HydrophobicContact CB-CG 4.15Å; L308-L313 HydrophobicContact CD2-CD1 3.87Å; L308-L313 HydrophobicContact CG-CD1 4.48Å; E311-L313 HydrophobicContact CB-CD2 4.42Å; L313-F315 HydrophobicContact CB-CD2 4.28Å; L313-F315 HydrophobicContact CB-CE2 3.42Å; L313-F315 VanDerWaalsContact CB-CE2 3.42Å; L313-F315 HydrophobicContact CB-CZ 3.86Å; L313-F315 HydrophobicContact CD1-CE2 4.18Å; L313-F315 HydrophobicContact CD1-CZ 3.87Å; L313-F315 HydrophobicContact CG-CE2 4.46Å; L313-F320 HydrophobicContact CB-CD2 4.39Å; L313-F320 HydrophobicContact CD1-CE2 4.36Å; L313-F320 HydrophobicContact CD2-CD2 3.93Å; L313-F320 HydrophobicContact CD2-CE2 3.79Å; L313-W321 WeakPolarHBondContact CA-O 3.27Å; L313-R322 HydrophobicContact CD2-CB 4.25Å; L313-R322 HydrophobicContact CD2-CG 3.63Å; L313-F340 HydrophobicContact CD1-CE2 4.31Å; L313-F340 HydrophobicContact CD1-CZ 4.01Å
314	L	91	Very high	86.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.8	175.4	-55.8	101	0	0	0	109.1	F302 V305 L312 F320 W321 W480 I481	F302-L314 HydrophobicContact CD1-CB 3.8Å; F302-L314 HydrophobicContact CD1-CD2 4.39Å; F302-L314 HydrophobicContact CD2-CD2 3.96Å; F302-L314 HydrophobicContact CE1-CB 3.74Å; F302-L314 HydrophobicContact CE1-CD2 4.04Å; F302-L314 HydrophobicContact CE2-CD2 3.55Å; F302-L314 HydrophobicContact CG-CB 4.32Å; F302-L314 HydrophobicContact CG-CD2 4.36Å; F302-L314 HydrophobicContact CZ-CB 4.2Å; F302-L314 HydrophobicContact CZ-CD2 3.61Å; V305-L314 HydrophobicContact CG1-CG 4.33Å; V305-L314 HydrophobicContact CG2-CD2 4.27Å; V305-L314 HydrophobicContact CG2-CG 4.4Å; L312-L314 HydrophobicContact CD2-CD1 4.04Å; L312-L314 HydrophobicContact CD2-CG 4.46Å; L312-L314 HydrophobicContact CG-CD1 4.1Å; L312-L314 HydrophobicContact CG-CG 4.45Å; L314-F320 CarbonylContact O-C 2.88Å; L314-F320 WeakPolarHBondContact O-CA 3.11Å; L314-F320 VanDerWaalsContact O-CB 3.32Å; L314-F320 WeakPolarHBondContact O-CB 3.38Å; L314-W321 HydrophobicContact CB-CE3 4.44Å; L314-W321 HydrophobicContact CD1-CB 4.5Å; L314-W321 PolarHBondContact N-O 3.19Å; L314-W321 VanDerWaalsContact O-CE3 3.3Å; L314-W321 PolarHBondContact O-N 2.79Å; L314-W480 HydrophobicContact CD2-CB 3.57Å; L314-W480 HydrophobicContact CD2-CG 4.36Å; L314-I481 HydrophobicContact CD1-CG2 4.39Å; L314-I481 HydrophobicContact CD2-CG2 4.48Å
315	F	90.5	Very high	84.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.2	-173.1	-65	-95.3	0	0	0	111.2	F302 D303 A304 T306 L313 F320 I336 F340 V347 F361	F302-F315 CarbonylContact C-O 3.58Å; F302-F315 WeakPolarHBondContact CA-O 3.5Å; D303-F315 PolarHBondContact N-O 3.02Å; A304-F315 HydrophobicContact CB-CB 4.18Å; A304-F315 HydrophobicContact CB-CD2 4.15Å; A304-F315 HydrophobicContact CB-CG 4.43Å; A304-F315 WeakPolarHBondContact O-CB 3.19Å; A304-F315 PolarHBondContact O-N 3.41Å; T306-F315 HydrophobicContact CG2-CE2 4.12Å; L313-F315 HydrophobicContact CB-CD2 4.28Å; L313-F315 HydrophobicContact CB-CE2 3.42Å; L313-F315 VanDerWaalsContact CB-CE2 3.42Å; L313-F315 HydrophobicContact CB-CZ 3.86Å; L313-F315 HydrophobicContact CD1-CE2 4.18Å; L313-F315 HydrophobicContact CD1-CZ 3.87Å; L313-F315 HydrophobicContact CG-CE2 4.46Å; F315-F320 HydrophobicContact CD1-CB 3.44Å; F315-F320 VanDerWaalsContact CD1-CB 3.44Å; F315-F320 HydrophobicContact CD1-CG 4.15Å; F315-F320 HydrophobicContact CE1-CB 3.62Å; F315-F320 HydrophobicContact CE1-CD1 4.3Å; F315-F320 HydrophobicContact CE1-CD2 4.2Å; F315-F320 AromaticContact CE1-CG 3.81Å; F315-F320 HydrophobicContact CE1-CG 3.81Å; F315-F320 HydrophobicContact CG-CB 3.95Å; F315-F320 HydrophobicContact CZ-CB 4.26Å; F315-F320 HydrophobicContact CZ-CD2 4.27Å; F315-F320 HydrophobicContact CZ-CG 4.33Å; F315-I336 HydrophobicContact CD1-CD1 3.67Å; F315-I336 HydrophobicContact CD1-CG1 3.77Å; F315-I336 HydrophobicContact CE1-CD1 4.34Å; F315-I336 HydrophobicContact CE1-CG1 4.04Å; F315-F340 HydrophobicContact CE1-CE2 4.39Å; F315-F340 HydrophobicContact CZ-CE2 4.29Å; F315-V347 HydrophobicContact CD1-CB 4.49Å; F315-V347 HydrophobicContact CD1-CG2 4.17Å; F315-V347 HydrophobicContact CE1-CG2 4.37Å; F315-F361 HydrophobicContact CE1-CE1 4.41Å; F315-F361 HydrophobicContact CE2-CE1 4.03Å; F315-F361 HydrophobicContact CZ-CD1 4.35Å; F315-F361 AromaticContact CZ-CE1 3.61Å; F315-F361 HydrophobicContact CZ-CE1 3.61Å; F315-F361 HydrophobicContact CZ-CZ 4.49Å
316	K	88.1	Confident	83.1	Confident	49 Å²	49	50 Å²	50	21%	0.213	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	117.1	169.8	-171.8	53.5	163.2	-171.2	0	110.9	L295 S301 F302 D303 R318 I319 W321	L295-K316 HydrophobicContact CD2-CB 4.37Å; L295-K316 HydrophobicContact CD2-CG 4.32Å; S301-K316 WeakPolarHBondContact O-CD 3.38Å; S301-K316 WeakPolarHBondContact O-CE 3.33Å; S301-K316 PolarHBondContact O-NZ 3.05Å; S301-K316 PolarHBondContact OG-NZ 2.95Å; F302-K316 HydrophobicContact CD1-CB 4.48Å; D303-K316 WeakPolarHBondContact OD1-CD 3.18Å; D303-K316 IonicContact OD1-NZ 2.67Å; D303-K316 PolarHBondContact OD1-NZ 3.03Å; K316-R318 PolarHBondContact O-N 3.18Å; K316-I319 PolarHBondContact N-O 3.32Å; K316-I319 WeakPolarHBondContact O-CG1 3.12Å; K316-I319 PolarHBondContact O-N 3.09Å; K316-W321 HydrophobicContact CB-CH2 4.05Å; K316-W321 HydrophobicContact CB-CZ3 3.74Å
317	G	82.6	Confident	81.1	Confident	29 Å²	29	54 Å²	54	30%	0.299	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	-123.6	-174.3	0	0	0	0	0	110.3	D303 I336 S345 N346	D303-G317 PolarHBondContact OD2-N 3.39Å; G317-I336 WeakPolarHBondContact O-CD1 3.23Å; G317-S345 VanDerWaalsContact O-O 3.07Å; G317-N346 VanDerWaalsContact O-CA 3.25Å; G317-N346 WeakPolarHBondContact O-CA 3.37Å; G317-N346 WeakPolarHBondContact O-CB 3.38Å
318	R	78.8	Confident	79.1	Confident	162 Å²	162	63.6 Å²	63.6	61%	0.611	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.6	-174	-58	-176.4	-176.1	-173.4	-1.9	116.3	K316 T335 I336 S345	K316-R318 PolarHBondContact O-N 3.18Å; R318-T335 WeakPolarHBondContact O-CA 3.34Å; R318-I336 PolarHBondContact O-N 3.41Å; R318-S345 WeakPolarHBondContact CA-O 3.4Å; R318-S345 WeakPolarHBondContact CG-O 3.12Å
319	I	82.7	Confident	77	Confident	24 Å²	24	68.9 Å²	68.9	12%	0.123	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	157	-173.4	59.4	175.8	0	0	0	110.3	P293 K316 W321 P333 S334 T335	P293-I319 HydrophobicContact CG-CD1 4.28Å; K316-I319 PolarHBondContact N-O 3.32Å; K316-I319 WeakPolarHBondContact O-CG1 3.12Å; K316-I319 PolarHBondContact O-N 3.09Å; I319-W321 HydrophobicContact CD1-CH2 3.29Å; I319-W321 HydrophobicContact CD1-CZ2 3.22Å; I319-W321 HydrophobicContact CD1-CZ3 4.41Å; I319-W321 HydrophobicContact CG1-CH2 3.45Å; I319-W321 VanDerWaalsContact CG1-CH2 3.45Å; I319-W321 HydrophobicContact CG1-CZ2 3.83Å; I319-W321 HydrophobicContact CG1-CZ3 4.17Å; I319-P333 HydrophobicContact CD1-CB 4.41Å; I319-S334 CarbonylContact C-O 3.51Å; I319-S334 VanDerWaalsContact CA-O 3.24Å; I319-S334 WeakPolarHBondContact CA-O 3.33Å; I319-T335 HydrophobicContact CG2-CG2 4.33Å
320	F	86.8	Confident	75.5	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.3	171.4	75.7	-75.4	0	0	0	110.1	L313 L314 F315 R322 S334 T335 I336 S339 F340 F373	L313-F320 HydrophobicContact CB-CD2 4.39Å; L313-F320 HydrophobicContact CD1-CE2 4.36Å; L313-F320 HydrophobicContact CD2-CD2 3.93Å; L313-F320 HydrophobicContact CD2-CE2 3.79Å; L314-F320 CarbonylContact O-C 2.88Å; L314-F320 WeakPolarHBondContact O-CA 3.11Å; L314-F320 VanDerWaalsContact O-CB 3.32Å; L314-F320 WeakPolarHBondContact O-CB 3.38Å; F315-F320 HydrophobicContact CD1-CB 3.44Å; F315-F320 VanDerWaalsContact CD1-CB 3.44Å; F315-F320 HydrophobicContact CD1-CG 4.15Å; F315-F320 HydrophobicContact CE1-CB 3.62Å; F315-F320 HydrophobicContact CE1-CD1 4.3Å; F315-F320 HydrophobicContact CE1-CD2 4.2Å; F315-F320 AromaticContact CE1-CG 3.81Å; F315-F320 HydrophobicContact CE1-CG 3.81Å; F315-F320 HydrophobicContact CG-CB 3.95Å; F315-F320 HydrophobicContact CZ-CB 4.26Å; F315-F320 HydrophobicContact CZ-CD2 4.27Å; F315-F320 HydrophobicContact CZ-CG 4.33Å; F320-R322 HydrophobicContact CD2-CG 3.86Å; F320-R322 HydrophobicContact CE2-CG 3.29Å; F320-R322 HydrophobicContact CZ-CG 4.11Å; F320-S334 WeakPolarHBondContact CD1-O 3.34Å; F320-S334 PolarHBondContact N-O 2.66Å; F320-S334 PolarHBondContact O-N 2.79Å; F320-T335 WeakPolarHBondContact CE1-O 3.1Å; F320-I336 HydrophobicContact CB-CG1 4.34Å; F320-I336 HydrophobicContact CD1-CG1 3.93Å; F320-S339 WeakPolarHBondContact CZ-OG 3.35Å; F320-F340 HydrophobicContact CE1-CE2 4.39Å; F320-F340 HydrophobicContact CE2-CE2 4.23Å; F320-F340 HydrophobicContact CZ-CE2 4.01Å; F320-F373 HydrophobicContact CE2-CE1 4.44Å; F320-F373 HydrophobicContact CZ-CE1 4.39Å
321	W	85.8	Confident	74.6	Confident	16 Å²	16	63.6 Å²	63.6	6%	0.061	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.4	175.2	-65.9	-87.1	0	0	0	109.5	L295 F302 L313 L314 K316 I319 I331 P333 I481	L295-W321 HydrophobicContact CD1-CH2 3.06Å; L295-W321 HydrophobicContact CD1-CZ2 2.97Å; L295-W321 HydrophobicContact CD1-CZ3 3.92Å; L295-W321 HydrophobicContact CD2-CH2 3.9Å; L295-W321 HydrophobicContact CD2-CZ3 4.07Å; L295-W321 HydrophobicContact CG-CH2 4.09Å; L295-W321 HydrophobicContact CG-CZ2 4.34Å; F302-W321 HydrophobicContact CE1-CE3 4.18Å; F302-W321 HydrophobicContact CE1-CZ3 4.2Å; L313-W321 WeakPolarHBondContact CA-O 3.27Å; L314-W321 HydrophobicContact CB-CE3 4.44Å; L314-W321 HydrophobicContact CD1-CB 4.5Å; L314-W321 PolarHBondContact N-O 3.19Å; L314-W321 VanDerWaalsContact O-CE3 3.3Å; L314-W321 PolarHBondContact O-N 2.79Å; K316-W321 HydrophobicContact CB-CH2 4.05Å; K316-W321 HydrophobicContact CB-CZ3 3.74Å; I319-W321 HydrophobicContact CD1-CH2 3.29Å; I319-W321 HydrophobicContact CD1-CZ2 3.22Å; I319-W321 HydrophobicContact CD1-CZ3 4.41Å; I319-W321 HydrophobicContact CG1-CH2 3.45Å; I319-W321 VanDerWaalsContact CG1-CH2 3.45Å; I319-W321 HydrophobicContact CG1-CZ2 3.83Å; I319-W321 HydrophobicContact CG1-CZ3 4.17Å; W321-I331 HydrophobicContact CB-CG2 3.72Å; W321-I331 HydrophobicContact CG-CG2 3.77Å; W321-P333 HydrophobicContact CZ2-CB 4.35Å; W321-I481 HydrophobicContact CB-CG2 4.27Å; W321-I481 HydrophobicContact CD2-CG2 4.35Å; W321-I481 HydrophobicContact CG-CG2 4.18Å
322	R	84.3	Confident	73.6	Confident	81 Å²	81	71.6 Å²	71.6	31%	0.306	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.1	174.6	-62.6	176.5	68	178.7	-6.4	108.1	E311 L313 F320 F373	E311-R322 VanDerWaalsContact CD-NH2 3.33Å; E311-R322 IonicContact OE1-CZ 2.78Å; E311-R322 IonicContact OE1-NE 3.99Å; E311-R322 IonicContact OE1-NH2 2.77Å; E311-R322 PolarHBondContact OE1-NH2 2.99Å; E311-R322 IonicContact OE2-CZ 2.7Å; E311-R322 IonicContact OE2-NE 3.16Å; E311-R322 PolarHBondContact OE2-NE 3.25Å; E311-R322 IonicContact OE2-NH2 3.98Å; E311-R322 PolarHBondContact OE2-NH2 3.07Å; L313-R322 HydrophobicContact CD2-CB 4.25Å; L313-R322 HydrophobicContact CD2-CG 3.63Å; F320-R322 HydrophobicContact CD2-CG 3.86Å; F320-R322 HydrophobicContact CE2-CG 3.29Å; F320-R322 HydrophobicContact CZ-CG 4.11Å; R322-F373 VanDerWaalsContact NH2-CZ 3.28Å
323	R	77.5	Confident	72.9	Confident	63 Å²	63	74.5 Å²	74.5	24%	0.238	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.1	175.2	-179.3	178.2	172.1	-177.4	-8.2	109.1	E311 L312 V325 I331 W480	E311-R323 WeakPolarHBondContact CA-O 3.29Å; L312-R323 HydrophobicContact CB-CB 4.48Å; L312-R323 PolarHBondContact N-O 3.01Å; L312-R323 PolarHBondContact O-N 3.34Å; R323-V325 PolarHBondContact O-N 3.16Å; R323-I331 HydrophobicContact CB-CD1 4.4Å; R323-I331 HydrophobicContact CB-CG1 4.37Å; R323-I331 HydrophobicContact CG-CD1 4.26Å; R323-I331 HydrophobicContact CG-CG1 4.42Å; R323-W480 PolarHBondContact NH1-O 3.39Å
324	Q	68.9	Low	72.1	Confident	95 Å²	95	76.1 Å²	76.1	44%	0.444	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	127.5	165.2	-74.7	-173.2	-6	0	0	108.5	E311 H326 L327	E311-Q324 HydrophobicContact CG-CG 4.16Å; Q324-H326 PolarHBondContact O-N 3.48Å; Q324-L327 HydrophobicContact CB-CB 4.29Å; Q324-L327 HydrophobicContact CB-CD1 4.39Å; Q324-L327 HydrophobicContact CB-CG 4.39Å; Q324-L327 PolarHBondContact O-N 3.33Å
325	V	60.1	Low	71.5	Confident	52 Å²	52	79.1 Å²	79.1	32%	0.315	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.8	-173.7	178.6	0	0	0	0	112.6	M307 L312 R323	M307-V325 HydrophobicContact CE-CG2 3.63Å; M307-V325 HydrophobicContact SD-CG2 4.05Å; L312-V325 HydrophobicContact CB-CG2 4.45Å; R323-V325 PolarHBondContact O-N 3.16Å
326	H	58.1	Low	70.8	Confident	166 Å²	166	79.1 Å²	79.1	77%	0.769	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-9	-176.9	-59.8	84	0	0	0	115.3	Q324	Q324-H326 PolarHBondContact O-N 3.48Å
327	L	52.3	Low	69.9	Low	90 Å²	90	80.1 Å²	80.1	47%	0.471	40%	0.402	S	S	.	.			trans	-111.8	128.9	-178.5	-65.6	179	0	0	0	110.8	Q324	Q324-L327 HydrophobicContact CB-CB 4.29Å; Q324-L327 HydrophobicContact CB-CD1 4.39Å; Q324-L327 HydrophobicContact CB-CG 4.39Å; Q324-L327 PolarHBondContact O-N 3.33Å
328	R	50.5	Low	69.3	Low	235 Å²	235	82.4 Å²	82.4	89%	0.887	41%	0.413	S	S	*	.	S	Bend	trans	-83.9	-5.5	176.9	-70.9	-169.7	-174.3	-167.5	2.3	113.9
329	T	45.7	Very low	69.2	Low	120 Å²	120	75.8 Å²	75.8	74%	0.736	39%	0.391	S	S	*	.	S	Bend	trans	-127.2	138.2	-172.1	52	0	0	0	0	111.8
330	G	53.5	Low	68.8	Low	67 Å²	67	74.6 Å²	74.6	69%	0.691	39%	0.386	S	S	*	.			trans	110.5	28.6	168.9	0	0	0	0	0	116.4	R332	G330-R332 PolarHBondContact O-N 3.5Å; G330-R332 VanDerWaalsContact O-N 3.11Å
331	I	64.5	Low	67.6	Low	45 Å²	45	78.7 Å²	78.7	23%	0.231	41%	0.412	C	S	.	.			trans	-73.2	103.6	176.6	-63.1	178.7	0	0	0	109.1	W321 R323 I481	W321-I331 HydrophobicContact CB-CG2 3.72Å; W321-I331 HydrophobicContact CG-CG2 3.77Å; R323-I331 HydrophobicContact CB-CD1 4.4Å; R323-I331 HydrophobicContact CB-CG1 4.37Å; R323-I331 HydrophobicContact CG-CD1 4.26Å; R323-I331 HydrophobicContact CG-CG1 4.42Å; I331-I481 HydrophobicContact CD1-CB 4.47Å
332	R	63.4	Low	66.5	Low	204 Å²	204	80.8 Å²	80.8	77%	0.77	42%	0.422	S	S	*	.			trans	-109.8	130.9	174.2	-72	-173.5	175.7	178.6	-0.2	110.3	G330 S334	G330-R332 PolarHBondContact O-N 3.5Å; G330-R332 VanDerWaalsContact O-N 3.11Å; R332-S334 PolarHBondContact O-N 3.16Å
333	P	74.9	Confident	65.4	Low	66 Å²	66	77.1 Å²	77.1	43%	0.429	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	135.7	172.7	26.2	-31.5	0	0	0	109.6	I319 W321	I319-P333 HydrophobicContact CD1-CB 4.41Å; W321-P333 HydrophobicContact CZ2-CB 4.35Å
334	S	75.1	Confident	64	Low	34 Å²	34	76.4 Å²	76.4	24%	0.238	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	151.3	168.3	-62.3	0	0	0	0	108.5	I319 F320 R332	I319-S334 CarbonylContact C-O 3.51Å; I319-S334 VanDerWaalsContact CA-O 3.24Å; I319-S334 WeakPolarHBondContact CA-O 3.33Å; F320-S334 WeakPolarHBondContact CD1-O 3.34Å; F320-S334 PolarHBondContact N-O 2.66Å; F320-S334 PolarHBondContact O-N 2.79Å; R332-S334 PolarHBondContact O-N 3.16Å
335	T	77.1	Confident	63.9	Low	63 Å²	63	73.5 Å²	73.5	39%	0.387	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	139.1	172.6	56.2	0	0	0	0	109.5	R318 I319 F320 T337 S338	R318-T335 WeakPolarHBondContact O-CA 3.34Å; I319-T335 HydrophobicContact CG2-CG2 4.33Å; F320-T335 WeakPolarHBondContact CE1-O 3.1Å; T335-T337 PolarHBondContact O-N 2.75Å; T335-S338 PolarHBondContact O-N 3.49Å; T335-S338 PolarHBondContact O-OG 3.05Å; T335-S338 WeakPolarHBondContact OG1-CB 3.36Å; T335-S338 PolarHBondContact OG1-N 2.84Å; T335-S338 PolarHBondContact OG1-OG 3.46Å
336	I	76.4	Confident	64.7	Low	0 Å²	0	72.7 Å²	72.7	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-55.3	-44.9	179.7	-65.5	170.8	0	0	0	110	F315 G317 R318 F320 S338 S339 F340 L343 V347	F315-I336 HydrophobicContact CD1-CD1 3.67Å; F315-I336 HydrophobicContact CD1-CG1 3.77Å; F315-I336 HydrophobicContact CE1-CD1 4.34Å; F315-I336 HydrophobicContact CE1-CG1 4.04Å; G317-I336 WeakPolarHBondContact O-CD1 3.23Å; R318-I336 PolarHBondContact O-N 3.41Å; F320-I336 HydrophobicContact CB-CG1 4.34Å; F320-I336 HydrophobicContact CD1-CG1 3.93Å; I336-S338 VanDerWaalsContact C-N 3.26Å; I336-S338 PolarHBondContact O-N 3.21Å; I336-S339 PolarHBondContact O-N 3.31Å; I336-S339 VanDerWaalsContact O-N 3.16Å; I336-F340 HydrophobicContact CG2-CB 4.44Å; I336-F340 HydrophobicContact CG2-CD2 4.47Å; I336-F340 WeakPolarHBondContact O-CA 3.46Å; I336-F340 PolarHBondContact O-N 3.23Å; I336-L343 HydrophobicContact CG2-CB 3.56Å; I336-L343 HydrophobicContact CG2-CD1 4.3Å; I336-V347 HydrophobicContact CD1-CG2 4.49Å
337	T	68.1	Low	66.1	Low	71 Å²	71	64.8 Å²	64.8	44%	0.436	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-24.1	-179.9	53.9	0	0	0	0	114.5	T335 P341 L343	T335-T337 PolarHBondContact O-N 2.75Å; T337-P341 WeakPolarHBondContact O-CA 3.33Å; T337-L343 WeakPolarHBondContact CG2-O 3.41Å
338	S	71	Confident	68.1	Low	77 Å²	77	60.7 Å²	60.7	54%	0.538	34%	0.335	S	S	.	.	H	α-helix	trans	-71.7	-33.7	175.8	68.3	0	0	0	0	112.7	T335 I336	T335-S338 PolarHBondContact O-N 3.49Å; T335-S338 PolarHBondContact O-OG 3.05Å; T335-S338 WeakPolarHBondContact OG1-CB 3.36Å; T335-S338 PolarHBondContact OG1-N 2.84Å; T335-S338 PolarHBondContact OG1-OG 3.46Å; I336-S338 VanDerWaalsContact C-N 3.26Å; I336-S338 PolarHBondContact O-N 3.21Å
339	S	75.6	Confident	70.3	Confident	22 Å²	22	49.5 Å²	49.5	15%	0.154	29%	0.293	C	S	.	.	H	α-helix	trans	-104.3	-26.2	-174.4	-59.8	0	0	0	0	112.6	F320 I336	F320-S339 WeakPolarHBondContact CZ-OG 3.35Å; I336-S339 PolarHBondContact O-N 3.31Å; I336-S339 VanDerWaalsContact O-N 3.16Å
340	F	75.4	Confident	72.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.258	C	S	.	.			trans	-133.7	79.2	179.1	-53.3	-79.4	0	0	0	109.3	L308 L313 F315 F320 I336 Q342 L343 F361 T370 F373 M375	L308-F340 HydrophobicContact CD2-CE1 4.21Å; L308-F340 HydrophobicContact CD2-CZ 3.9Å; L313-F340 HydrophobicContact CD1-CE2 4.31Å; L313-F340 HydrophobicContact CD1-CZ 4.01Å; F315-F340 HydrophobicContact CE1-CE2 4.39Å; F315-F340 HydrophobicContact CZ-CE2 4.29Å; F320-F340 HydrophobicContact CE1-CE2 4.39Å; F320-F340 HydrophobicContact CE2-CE2 4.23Å; F320-F340 HydrophobicContact CZ-CE2 4.01Å; I336-F340 HydrophobicContact CG2-CB 4.44Å; I336-F340 HydrophobicContact CG2-CD2 4.47Å; I336-F340 WeakPolarHBondContact O-CA 3.46Å; I336-F340 PolarHBondContact O-N 3.23Å; F340-Q342 PolarHBondContact O-N 3Å; F340-L343 HydrophobicContact CB-CB 3.99Å; F340-L343 HydrophobicContact CB-CD1 3.53Å; F340-L343 HydrophobicContact CB-CG 3.8Å; F340-L343 HydrophobicContact CD1-CD1 4.34Å; F340-L343 HydrophobicContact CD2-CD1 4.32Å; F340-L343 HydrophobicContact CG-CD1 3.84Å; F340-L343 PolarHBondContact O-N 3.35Å; F340-F361 HydrophobicContact CD1-CE2 4.25Å; F340-F361 HydrophobicContact CD1-CZ 4.43Å; F340-F361 AromaticContact CE1-CE2 3.85Å; F340-F361 HydrophobicContact CE1-CE2 3.85Å; F340-F361 AromaticContact CE1-CZ 3.78Å; F340-F361 HydrophobicContact CE1-CZ 3.78Å; F340-F361 HydrophobicContact CE2-CZ 4.42Å; F340-F361 HydrophobicContact CZ-CE1 4.48Å; F340-F361 HydrophobicContact CZ-CE2 4.33Å; F340-F361 AromaticContact CZ-CZ 3.77Å; F340-F361 HydrophobicContact CZ-CZ 3.77Å; F340-T370 HydrophobicContact CD1-CG2 4.19Å; F340-T370 HydrophobicContact CE1-CG2 4.37Å; F340-F373 HydrophobicContact CD1-CD1 4.44Å; F340-F373 AromaticContact CE1-CD1 3.67Å; F340-F373 HydrophobicContact CE1-CD1 3.67Å; F340-F373 HydrophobicContact CE1-CE1 4.23Å; F340-F373 HydrophobicContact CE1-CG 4.49Å; F340-F373 AromaticContact CE2-CD1 3.93Å; F340-F373 HydrophobicContact CE2-CD1 3.93Å; F340-F373 AromaticContact CE2-CE1 3.89Å; F340-F373 HydrophobicContact CE2-CE1 3.89Å; F340-F373 AromaticContact CZ-CD1 3.37Å; F340-F373 HydrophobicContact CZ-CD1 3.37Å; F340-F373 AromaticContact CZ-CE1 3.47Å; F340-F373 HydrophobicContact CZ-CE1 3.47Å; F340-F373 VanDerWaalsContact CZ-CE1 3.47Å; F340-F373 HydrophobicContact CZ-CG 4.5Å; F340-M375 HydrophobicContact CB-SD 4.1Å; F340-M375 HydrophobicContact CD1-SD 4.14Å
341	P	61.5	Low	74.9	Confident	86 Å²	86	40.8 Å²	40.8	56%	0.558	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.6	-169.8	-26.2	35.3	0	0	0	115.6	T337	T337-P341 WeakPolarHBondContact O-CA 3.33Å
342	Q	62.6	Low	76.4	Confident	59 Å²	59	39.6 Å²	39.6	28%	0.276	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-14.5	177	-59.5	-174.3	22.6	0	0	113.5	F340 M344 M375 G377	F340-Q342 PolarHBondContact O-N 3Å; Q342-M344 PolarHBondContact O-N 2.88Å; Q342-M375 HydrophobicContact CB-CE 3.8Å; Q342-M375 HydrophobicContact CB-CG 4.34Å; Q342-M375 HydrophobicContact CB-SD 4.41Å; Q342-M375 HydrophobicContact CG-CB 4.43Å; Q342-M375 HydrophobicContact CG-CE 4.31Å; Q342-M375 HydrophobicContact CG-CG 4.05Å; Q342-G377 PolarHBondContact OE1-O 3.5Å
343	L	61.8	Low	78	Confident	4 Å²	4	30 Å²	30	2%	0.021	18%	0.183	C	C	.	.			trans	-86.9	104.2	176.5	-62.3	-179.4	0	0	0	108.5	I336 T337 F340 S345 V347 F361 W368	I336-L343 HydrophobicContact CG2-CB 3.56Å; I336-L343 HydrophobicContact CG2-CD1 4.3Å; T337-L343 WeakPolarHBondContact CG2-O 3.41Å; F340-L343 HydrophobicContact CB-CB 3.99Å; F340-L343 HydrophobicContact CB-CD1 3.53Å; F340-L343 HydrophobicContact CB-CG 3.8Å; F340-L343 HydrophobicContact CD1-CD1 4.34Å; F340-L343 HydrophobicContact CD2-CD1 4.32Å; F340-L343 HydrophobicContact CG-CD1 3.84Å; F340-L343 PolarHBondContact O-N 3.35Å; L343-S345 PolarHBondContact O-N 2.77Å; L343-V347 HydrophobicContact CD1-CG2 4.03Å; L343-F361 HydrophobicContact CD1-CB 3.76Å; L343-F361 HydrophobicContact CD1-CD1 3.88Å; L343-F361 HydrophobicContact CD1-CD2 4.01Å; L343-F361 HydrophobicContact CD1-CG 3.61Å; L343-F361 HydrophobicContact CD2-CB 3.88Å; L343-F361 HydrophobicContact CG-CB 4.5Å; L343-W368 HydrophobicContact CD2-CB 4.06Å; L343-W368 HydrophobicContact CD2-CD2 3.59Å; L343-W368 HydrophobicContact CD2-CE3 3.63Å; L343-W368 HydrophobicContact CD2-CG 3.8Å; L343-W368 HydrophobicContact CD2-CZ3 4.39Å
344	M	48.4	Very low	78.6	Confident	49 Å²	49	29.6 Å²	29.6	24%	0.241	19%	0.186	C	C	.	.			trans	-71.4	-32.4	-157.2	-53.2	166.7	-109.2	0	0	116	Y254 G255 Q342 K363 W368	Y254-M344 WeakPolarHBondContact CB-SD 3.33Å; Y254-M344 HydrophobicContact CG-SD 4.46Å; Y254-M344 WeakPolarHBondContact O-CG 3.36Å; G255-M344 PolarHBondContact N-SD 3.48Å; G255-M344 VanDerWaalsContact N-SD 3.39Å; Q342-M344 PolarHBondContact O-N 2.88Å; M344-K363 HydrophobicContact CE-CG 4.45Å; M344-W368 HydrophobicContact CE-CH2 3.84Å; M344-W368 HydrophobicContact CE-CZ2 3.99Å
345	S	65.6	Low	79.3	Confident	33 Å²	33	32.5 Å²	32.5	23%	0.231	20%	0.196	C	C	.	.	S	Bend	trans	-152.7	-65.2	-170	55.1	0	0	0	0	111.3	G317 R318 L343	G317-S345 VanDerWaalsContact O-O 3.07Å; R318-S345 WeakPolarHBondContact CA-O 3.4Å; R318-S345 WeakPolarHBondContact CG-O 3.12Å; L343-S345 PolarHBondContact O-N 2.77Å
346	N	77.1	Confident	80.1	Confident	35 Å²	35	33.4 Å²	33.4	19%	0.187	19%	0.192	C	C	.	.			trans	-141.7	174.7	176.8	71.6	-39.4	0	0	0	109.7	D303 G317 K363	D303-N346 PolarHBondContact OD2-ND2 2.94Å; G317-N346 VanDerWaalsContact O-CA 3.25Å; G317-N346 WeakPolarHBondContact O-CA 3.37Å; G317-N346 WeakPolarHBondContact O-CB 3.38Å; N346-K363 VanDerWaalsContact OD1-CE 3.32Å; N346-K363 WeakPolarHBondContact OD1-CE 3.38Å; N346-K363 PolarHBondContact OD1-NZ 3.24Å
347	V	88.7	Confident	80.7	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	21%	0.206	C	C	.	.			trans	-119.9	135.5	179.8	177.1	0	0	0	0	107.3	D303 A304 F315 I336 L343 A349 A350 F361	D303-V347 VanDerWaalsContact CB-O 3.28Å; D303-V347 WeakPolarHBondContact CB-O 3.08Å; A304-V347 HydrophobicContact CB-CB 4.28Å; A304-V347 HydrophobicContact CB-CG1 3.9Å; F315-V347 HydrophobicContact CD1-CB 4.49Å; F315-V347 HydrophobicContact CD1-CG2 4.17Å; F315-V347 HydrophobicContact CE1-CG2 4.37Å; I336-V347 HydrophobicContact CD1-CG2 4.49Å; L343-V347 HydrophobicContact CD1-CG2 4.03Å; V347-A349 WeakPolarHBondContact CG1-O 3.47Å; V347-A350 HydrophobicContact CG1-CB 4.17Å; V347-F361 HydrophobicContact CG1-CB 4.32Å; V347-F361 HydrophobicContact CG1-CD1 4.15Å; V347-F361 HydrophobicContact CG2-CD1 4.23Å
348	D	92.8	Very high	82	Confident	3 Å²	3	32 Å²	32	2%	0.016	19%	0.189	C	C	.	.	S	Bend	trans	-87.1	-32	179	-62.1	-22.8	0	0	0	112	D303 F362 K363 G364 R393 I394 D395	D303-D348 CarbonylContact O-C 3.55Å; D348-F362 PolarHBondContact N-O 3.17Å; D348-K363 WeakPolarHBondContact OD1-CD 3.25Å; D348-K363 IonicContact OD1-NZ 2.78Å; D348-K363 PolarHBondContact OD1-NZ 3.1Å; D348-K363 WeakPolarHBondContact OD2-CA 3.43Å; D348-K363 WeakPolarHBondContact OD2-CD 3.39Å; D348-K363 IonicContact OD2-NZ 3.92Å; D348-G364 PolarHBondContact OD2-N 3.25Å; D348-R393 HydrophobicContact CB-CG 4.27Å; D348-R393 IonicContact OD1-CZ 2.81Å; D348-R393 IonicContact OD1-NE 3.43Å; D348-R393 IonicContact OD1-NH2 3.67Å; D348-R393 PolarHBondContact OD1-NH2 2.96Å; D348-R393 IonicContact OD2-NE 2.91Å; D348-R393 PolarHBondContact OD2-NE 3.36Å; D348-I394 WeakPolarHBondContact CB-O 3.17Å; D348-D395 CarbonylContact O-C 3.6Å
349	A	97.4	Very high	83.2	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	156.1	174	0	0	0	0	0	109.5	V347 F362 I394 A397	V347-A349 WeakPolarHBondContact CG1-O 3.47Å; A349-F362 HydrophobicContact CB-CB 4.17Å; A349-F362 HydrophobicContact CB-CD2 4.33Å; A349-F362 WeakPolarHBondContact O-CD2 3.47Å; A349-F362 PolarHBondContact O-N 3.24Å; A349-I394 HydrophobicContact CB-CB 4.41Å; A349-I394 HydrophobicContact CB-CG2 3.96Å; A349-A397 HydrophobicContact CB-CB 4.15Å
350	A	97.6	Very high	84.2	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	149.3	173.6	0	0	0	0	0	111.5	A304 T306 V347 Y360 F361 A397	A304-A350 HydrophobicContact CB-CB 4.3Å; T306-A350 HydrophobicContact CG2-CB 3.61Å; V347-A350 HydrophobicContact CG1-CB 4.17Å; A350-Y360 CarbonylContact C-O 3.59Å; A350-Y360 WeakPolarHBondContact CA-O 3.24Å; A350-F361 HydrophobicContact CB-CD1 3.61Å; A350-F361 HydrophobicContact CB-CE1 3.93Å; A350-F361 HydrophobicContact CB-CG 4.42Å; A350-A397 VanDerWaalsContact O-O 3.13Å
351	Y	97.9	Very high	85.1	Confident	3 Å²	3	28.5 Å²	28.5	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	160.3	170.9	76.5	-86.7	0	0	0	111.2	T306 V353 A359 Y360 F362 F385 A397 T406 F408 E419	T306-Y351 VanDerWaalsContact OG1-C 3.28Å; T306-Y351 VanDerWaalsContact OG1-CA 3.23Å; T306-Y351 WeakPolarHBondContact OG1-CA 3.24Å; Y351-V353 HydrophobicContact CD2-CG2 4.16Å; Y351-V353 HydrophobicContact CE2-CG2 3.57Å; Y351-A359 CarbonylContact O-C 3.52Å; Y351-A359 WeakPolarHBondContact O-CA 3.27Å; Y351-Y360 HydrophobicContact CD2-CD2 4.27Å; Y351-Y360 HydrophobicContact CE1-CD2 4.03Å; Y351-Y360 AromaticContact CE1-CG 3.84Å; Y351-Y360 HydrophobicContact CE1-CG 3.84Å; Y351-Y360 AromaticContact CE2-CD2 3.71Å; Y351-Y360 HydrophobicContact CE2-CD2 3.71Å; Y351-Y360 HydrophobicContact CE2-CE2 4.17Å; Y351-Y360 HydrophobicContact CE2-CG 4.36Å; Y351-Y360 AromaticContact CZ-CD2 3.55Å; Y351-Y360 AromaticContact CZ-CG 3.76Å; Y351-Y360 PolarHBondContact N-O 2.89Å; Y351-Y360 PolarHBondContact O-N 2.72Å; Y351-F362 AromaticContact CD1-CE2 3.65Å; Y351-F362 HydrophobicContact CD1-CE2 3.65Å; Y351-F362 HydrophobicContact CD1-CZ 4.27Å; Y351-F362 AromaticContact CE1-CE2 3.55Å; Y351-F362 HydrophobicContact CE1-CE2 3.55Å; Y351-F362 AromaticContact CE1-CZ 3.7Å; Y351-F362 HydrophobicContact CE1-CZ 3.7Å; Y351-F385 WeakPolarHBondContact OH-CE1 3.45Å; Y351-A397 HydrophobicContact CD1-CB 3.75Å; Y351-A397 HydrophobicContact CG-CB 4.34Å; Y351-T406 HydrophobicContact CD1-CG2 3.95Å; Y351-T406 HydrophobicContact CD2-CG2 3.91Å; Y351-T406 HydrophobicContact CE1-CG2 3.77Å; Y351-T406 HydrophobicContact CE2-CG2 3.67Å; Y351-T406 WeakPolarHBondContact CE2-OG1 3.36Å; Y351-T406 HydrophobicContact CG-CG2 4.02Å; Y351-F408 HydrophobicContact CD1-CE1 4.12Å; Y351-F408 AromaticContact CE1-CE1 3.62Å; Y351-F408 HydrophobicContact CE1-CE1 3.62Å; Y351-F408 AromaticContact CE1-CZ 3.81Å; Y351-F408 HydrophobicContact CE1-CZ 3.81Å; Y351-E419 PolarHBondContact OH-OE1 2.81Å
352	E	96.3	Very high	86.7	Confident	19 Å²	19	24.5 Å²	24.5	9%	0.089	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.2	173.6	-178.8	-178.2	-149.6	0	0	111.3	T306 M307 L308 G309 A354 A359 Y399	T306-E352 PolarHBondContact OG1-N 3.47Å; M307-E352 VanDerWaalsContact C-OE2 3.26Å; M307-E352 VanDerWaalsContact O-CB 3.27Å; M307-E352 WeakPolarHBondContact O-CB 3.39Å; L308-E352 WeakPolarHBondContact CA-OE2 3.37Å; L308-E352 PolarHBondContact N-OE2 3.18Å; G309-E352 VanDerWaalsContact N-CD 3.34Å; G309-E352 PolarHBondContact N-OE1 3.36Å; G309-E352 VanDerWaalsContact N-OE1 3.08Å; G309-E352 PolarHBondContact N-OE2 3.01Å; E352-A354 PolarHBondContact O-N 3.39Å; E352-A359 HydrophobicContact CB-CB 3.99Å; E352-A359 HydrophobicContact CG-CB 4.18Å; E352-Y399 WeakPolarHBondContact O-CB 3.47Å; E352-Y399 WeakPolarHBondContact O-CD1 3.38Å
353	V	96.4	Very high	87.9	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	93.1	164.8	-173.4	0	0	0	0	107.5	Y351 E355 R356 G357 T358 Y360 Y399 E419	Y351-V353 HydrophobicContact CD2-CG2 4.16Å; Y351-V353 HydrophobicContact CE2-CG2 3.57Å; V353-E355 VanDerWaalsContact C-N 3.28Å; V353-E355 PolarHBondContact O-N 3.44Å; V353-R356 HydrophobicContact CB-CB 4.37Å; V353-R356 HydrophobicContact CB-CG 4.49Å; V353-R356 HydrophobicContact CG1-CB 4.22Å; V353-R356 HydrophobicContact CG1-CG 3.87Å; V353-R356 PolarHBondContact O-N 2.88Å; V353-G357 PolarHBondContact O-N 3.42Å; V353-G357 VanDerWaalsContact O-N 3.11Å; V353-T358 PolarHBondContact N-O 3.05Å; V353-T358 PolarHBondContact O-N 3.37Å; V353-Y360 HydrophobicContact CG2-CE2 4Å; V353-Y399 HydrophobicContact CG1-CE1 4.19Å; V353-Y399 HydrophobicContact CG1-CE2 4.25Å; V353-Y399 HydrophobicContact CG2-CD2 4.29Å; V353-Y399 HydrophobicContact CG2-CG 4.44Å; V353-E419 HydrophobicContact CG2-CG 4.45Å
354	A	88.3	Confident	89.1	Confident	58 Å²	58	25 Å²	25	48%	0.479	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-58.2	-38.3	-169.2	0	0	0	0	0	112.8	E352 R356 G357	E352-A354 PolarHBondContact O-N 3.39Å; A354-R356 PolarHBondContact O-N 3.04Å; A354-G357 PolarHBondContact O-N 3.35Å
355	E	90.4	Very high	90.9	Very high	96 Å²	96	24.1 Å²	24.1	45%	0.449	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-60.9	-26.7	177.9	-67.1	69.8	-155.4	0	0	112.4	V353 Y399 R401	V353-E355 VanDerWaalsContact C-N 3.28Å; V353-E355 PolarHBondContact O-N 3.44Å; E355-Y399 WeakPolarHBondContact OE2-CE1 3.24Å; E355-Y399 PolarHBondContact OE2-OH 2.91Å; E355-R401 VanDerWaalsContact OE1-CG 3.29Å; E355-R401 WeakPolarHBondContact OE1-CG 3.21Å; E355-R401 IonicContact OE1-CZ 3.79Å; E355-R401 IonicContact OE1-NE 2.87Å; E355-R401 PolarHBondContact OE1-NE 2.77Å; E355-R401 IonicContact OE1-NH2 3.9Å
356	R	91.9	Very high	92	Very high	81 Å²	81	26 Å²	26	31%	0.306	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-99.7	-7.4	178	-60.3	178.7	-176.6	161.7	5.2	112.4	V353 A354 T358 E419	V353-R356 HydrophobicContact CB-CB 4.37Å; V353-R356 HydrophobicContact CB-CG 4.49Å; V353-R356 HydrophobicContact CG1-CB 4.22Å; V353-R356 HydrophobicContact CG1-CG 3.87Å; V353-R356 PolarHBondContact O-N 2.88Å; A354-R356 PolarHBondContact O-N 3.04Å; R356-T358 PolarHBondContact O-N 3.19Å; R356-T358 PolarHBondContact O-OG1 3.17Å; R356-E419 IonicContact CZ-OE2 2.85Å; R356-E419 IonicContact NH1-OE2 3.06Å; R356-E419 PolarHBondContact NH1-OE2 2.81Å; R356-E419 PolarHBondContact NH2-O 3.31Å; R356-E419 IonicContact NH2-OE2 3.22Å
357	G	89.9	Confident	92.8	Very high	30 Å²	30	24.6 Å²	24.6	31%	0.309	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	34.9	-169.9	0	0	0	0	0	112.4	V353 A354 R371	V353-G357 PolarHBondContact O-N 3.42Å; V353-G357 VanDerWaalsContact O-N 3.11Å; A354-G357 PolarHBondContact O-N 3.35Å; G357-R371 WeakPolarHBondContact O-CA 3.4Å
358	T	95.1	Very high	92.9	Very high	11 Å²	11	25.1 Å²	25.1	7%	0.067	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.2	-171.8	-59.6	0	0	0	0	109.3	V353 R356 Y360 I369 T370	V353-T358 PolarHBondContact N-O 3.05Å; V353-T358 PolarHBondContact O-N 3.37Å; R356-T358 PolarHBondContact O-N 3.19Å; R356-T358 PolarHBondContact O-OG1 3.17Å; T358-Y360 HydrophobicContact CG2-CD2 4.39Å; T358-Y360 HydrophobicContact CG2-CE2 3.67Å; T358-I369 HydrophobicContact CG2-CG2 3.38Å; T358-T370 VanDerWaalsContact CA-O 3.32Å; T358-T370 WeakPolarHBondContact CA-O 3.42Å
359	A	96.1	Very high	92.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	144.2	176.5	0	0	0	0	0	111.8	L308 Y351 E352 F361 I369 T370	L308-A359 HydrophobicContact CD1-CB 3.53Å; Y351-A359 CarbonylContact O-C 3.52Å; Y351-A359 WeakPolarHBondContact O-CA 3.27Å; E352-A359 HydrophobicContact CB-CB 3.99Å; E352-A359 HydrophobicContact CG-CB 4.18Å; A359-F361 HydrophobicContact CB-CE2 4.05Å; A359-F361 HydrophobicContact CB-CZ 4.37Å; A359-I369 CarbonylContact O-C 3.56Å; A359-I369 WeakPolarHBondContact O-CA 3.48Å; A359-T370 WeakPolarHBondContact CB-OG1 3.31Å; A359-T370 PolarHBondContact N-O 2.93Å; A359-T370 PolarHBondContact O-N 2.68Å; A359-T370 PolarHBondContact O-OG1 3.3Å
360	Y	96.9	Very high	92.5	Very high	27 Å²	27	26.4 Å²	26.4	11%	0.106	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.5	-176.1	-62.6	-101.2	0	0	0	108.6	A350 Y351 V353 T358 Y367 W368 I369 F385	A350-Y360 CarbonylContact C-O 3.59Å; A350-Y360 WeakPolarHBondContact CA-O 3.24Å; Y351-Y360 HydrophobicContact CD2-CD2 4.27Å; Y351-Y360 HydrophobicContact CE1-CD2 4.03Å; Y351-Y360 AromaticContact CE1-CG 3.84Å; Y351-Y360 HydrophobicContact CE1-CG 3.84Å; Y351-Y360 AromaticContact CE2-CD2 3.71Å; Y351-Y360 HydrophobicContact CE2-CD2 3.71Å; Y351-Y360 HydrophobicContact CE2-CE2 4.17Å; Y351-Y360 HydrophobicContact CE2-CG 4.36Å; Y351-Y360 AromaticContact CZ-CD2 3.55Å; Y351-Y360 AromaticContact CZ-CG 3.76Å; Y351-Y360 PolarHBondContact N-O 2.89Å; Y351-Y360 PolarHBondContact O-N 2.72Å; V353-Y360 HydrophobicContact CG2-CE2 4Å; T358-Y360 HydrophobicContact CG2-CD2 4.39Å; T358-Y360 HydrophobicContact CG2-CE2 3.67Å; Y360-Y367 AromaticContact CD1-CD2 3.79Å; Y360-Y367 HydrophobicContact CD1-CD2 3.79Å; Y360-Y367 AromaticContact CD1-CE2 3.81Å; Y360-Y367 HydrophobicContact CD1-CE2 3.81Å; Y360-Y367 HydrophobicContact CE1-CD2 4.47Å; Y360-Y367 HydrophobicContact CE1-CE2 4.03Å; Y360-W368 WeakPolarHBondContact CA-O 3.31Å; Y360-I369 HydrophobicContact CD1-CG1 4.01Å; Y360-I369 HydrophobicContact CE1-CD1 4.14Å; Y360-I369 HydrophobicContact CE1-CG1 3.9Å; Y360-F385 AromaticContact CD1-CZ 3.97Å; Y360-F385 HydrophobicContact CD1-CZ 3.97Å; Y360-F385 HydrophobicContact CE1-CZ 4.11Å
361	F	95.3	Very high	92.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.7	178.1	-63.1	-86.8	0	0	0	109.3	T306 F315 F340 L343 V347 A350 A359 Y367 W368 T370	T306-F361 HydrophobicContact CG2-CE1 4.18Å; F315-F361 HydrophobicContact CE1-CE1 4.41Å; F315-F361 HydrophobicContact CE2-CE1 4.03Å; F315-F361 HydrophobicContact CZ-CD1 4.35Å; F315-F361 AromaticContact CZ-CE1 3.61Å; F315-F361 HydrophobicContact CZ-CE1 3.61Å; F315-F361 HydrophobicContact CZ-CZ 4.49Å; F340-F361 HydrophobicContact CD1-CE2 4.25Å; F340-F361 HydrophobicContact CD1-CZ 4.43Å; F340-F361 AromaticContact CE1-CE2 3.85Å; F340-F361 HydrophobicContact CE1-CE2 3.85Å; F340-F361 AromaticContact CE1-CZ 3.78Å; F340-F361 HydrophobicContact CE1-CZ 3.78Å; F340-F361 HydrophobicContact CE2-CZ 4.42Å; F340-F361 HydrophobicContact CZ-CE1 4.48Å; F340-F361 HydrophobicContact CZ-CE2 4.33Å; F340-F361 AromaticContact CZ-CZ 3.77Å; F340-F361 HydrophobicContact CZ-CZ 3.77Å; L343-F361 HydrophobicContact CD1-CB 3.76Å; L343-F361 HydrophobicContact CD1-CD1 3.88Å; L343-F361 HydrophobicContact CD1-CD2 4.01Å; L343-F361 HydrophobicContact CD1-CG 3.61Å; L343-F361 HydrophobicContact CD2-CB 3.88Å; L343-F361 HydrophobicContact CG-CB 4.5Å; V347-F361 HydrophobicContact CG1-CB 4.32Å; V347-F361 HydrophobicContact CG1-CD1 4.15Å; V347-F361 HydrophobicContact CG2-CD1 4.23Å; A350-F361 HydrophobicContact CB-CD1 3.61Å; A350-F361 HydrophobicContact CB-CE1 3.93Å; A350-F361 HydrophobicContact CB-CG 4.42Å; A359-F361 HydrophobicContact CB-CE2 4.05Å; A359-F361 HydrophobicContact CB-CZ 4.37Å; F361-Y367 CarbonylContact O-C 3.58Å; F361-Y367 WeakPolarHBondContact O-CA 3.44Å; F361-Y367 WeakPolarHBondContact O-CB 3.19Å; F361-W368 PolarHBondContact N-O 3.32Å; F361-W368 PolarHBondContact O-N 3.11Å; F361-T370 HydrophobicContact CD2-CG2 3.75Å; F361-T370 HydrophobicContact CE2-CG2 3.6Å; F361-T370 WeakPolarHBondContact CE2-OG1 3.08Å
362	F	93.5	Very high	91.5	Very high	2 Å²	2	35 Å²	35	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.1	-172.8	-64.5	-96.2	0	0	0	111.6	D348 A349 Y351 H366 Y367 I382 F385 I394 F408	D348-F362 PolarHBondContact N-O 3.17Å; A349-F362 HydrophobicContact CB-CB 4.17Å; A349-F362 HydrophobicContact CB-CD2 4.33Å; A349-F362 WeakPolarHBondContact O-CD2 3.47Å; A349-F362 PolarHBondContact O-N 3.24Å; Y351-F362 AromaticContact CD1-CE2 3.65Å; Y351-F362 HydrophobicContact CD1-CE2 3.65Å; Y351-F362 HydrophobicContact CD1-CZ 4.27Å; Y351-F362 AromaticContact CE1-CE2 3.55Å; Y351-F362 HydrophobicContact CE1-CE2 3.55Å; Y351-F362 AromaticContact CE1-CZ 3.7Å; Y351-F362 HydrophobicContact CE1-CZ 3.7Å; F362-H366 WeakPolarHBondContact CA-O 3.31Å; F362-Y367 HydrophobicContact CD1-CG 4.49Å; F362-Y367 VanDerWaalsContact CE1-CB 3.49Å; F362-Y367 HydrophobicContact CE1-CD1 4.44Å; F362-Y367 HydrophobicContact CE1-CG 4.04Å; F362-Y367 HydrophobicContact CZ-CG 4.46Å; F362-I382 HydrophobicContact CD1-CG2 3.69Å; F362-I382 HydrophobicContact CE1-CG2 3.93Å; F362-F385 HydrophobicContact CE1-CD2 4.47Å; F362-F385 AromaticContact CE1-CE2 3.89Å; F362-F385 HydrophobicContact CE1-CE2 3.89Å; F362-F385 AromaticContact CZ-CE2 3.95Å; F362-F385 HydrophobicContact CZ-CE2 3.95Å; F362-F385 HydrophobicContact CZ-CZ 4.11Å; F362-I394 HydrophobicContact CD1-CD1 3.67Å; F362-I394 HydrophobicContact CE1-CD1 3.78Å; F362-I394 HydrophobicContact CG-CD1 4.38Å; F362-F408 HydrophobicContact CE1-CE1 4.24Å; F362-F408 HydrophobicContact CE2-CE1 4.15Å; F362-F408 AromaticContact CZ-CE1 3.69Å; F362-F408 HydrophobicContact CZ-CE1 3.69Å; F362-F408 HydrophobicContact CZ-CZ 4.3Å
363	K	89.5	Confident	90.8	Very high	55 Å²	55	37.4 Å²	37.4	24%	0.239	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	115.4	170.3	-174.8	65	-172	170.9	0	110.5	M344 N346 D348 H366 W368	M344-K363 HydrophobicContact CE-CG 4.45Å; N346-K363 VanDerWaalsContact OD1-CE 3.32Å; N346-K363 WeakPolarHBondContact OD1-CE 3.38Å; N346-K363 PolarHBondContact OD1-NZ 3.24Å; D348-K363 WeakPolarHBondContact OD1-CD 3.25Å; D348-K363 IonicContact OD1-NZ 2.78Å; D348-K363 PolarHBondContact OD1-NZ 3.1Å; D348-K363 WeakPolarHBondContact OD2-CA 3.43Å; D348-K363 WeakPolarHBondContact OD2-CD 3.39Å; D348-K363 IonicContact OD2-NZ 3.92Å; K363-H366 PolarHBondContact N-O 2.89Å; K363-H366 PolarHBondContact O-N 2.69Å; K363-W368 HydrophobicContact CB-CH2 3.98Å; K363-W368 HydrophobicContact CB-CZ3 3.61Å
364	G	86.1	Confident	89.9	Confident	18 Å²	18	43.9 Å²	43.9	19%	0.186	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-133.8	-170.3	0	0	0	0	0	110.8	D348 H366 Q392	D348-G364 PolarHBondContact OD2-N 3.25Å; G364-H366 PolarHBondContact O-N 3.27Å; G364-Q392 CarbonylContact C-O 3.55Å; G364-Q392 VanDerWaalsContact CA-O 3.26Å; G364-Q392 WeakPolarHBondContact CA-O 3.43Å
365	P	85.5	Confident	89.4	Confident	31 Å²	31	42.5 Å²	42.5	20%	0.201	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	14.2	-176.9	33.2	-34.2	0	0	0	113.4	T381 I382 Q392	P365-T381 WeakPolarHBondContact O-CA 3.29Å; P365-T381 PolarHBondContact O-OG1 3.35Å; P365-T381 VanDerWaalsContact O-OG1 3.09Å; P365-I382 HydrophobicContact CB-CG1 4.5Å; P365-I382 PolarHBondContact O-N 3.43Å; P365-Q392 WeakPolarHBondContact CD-O 3.5Å
366	H	88.9	Confident	89.1	Confident	73 Å²	73	41.1 Å²	41.1	34%	0.338	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	152.6	-176.2	-57.6	86.6	0	0	0	111.8	F362 K363 G364 W368 P379 R380	F362-H366 WeakPolarHBondContact CA-O 3.31Å; K363-H366 PolarHBondContact N-O 2.89Å; K363-H366 PolarHBondContact O-N 2.69Å; G364-H366 PolarHBondContact O-N 3.27Å; H366-W368 HydrophobicContact CB-CH2 3.91Å; H366-W368 HydrophobicContact CB-CZ3 3.99Å; H366-P379 HydrophobicContact CB-CB 4.43Å; H366-R380 CarbonylContact C-O 3.57Å; H366-R380 WeakPolarHBondContact CA-O 3.49Å
367	Y	93.6	Very high	88.3	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155	171.4	75.9	-84.8	0	0	0	111.9	Y360 F361 F362 I369 P379 R380 T381 D384 F385	Y360-Y367 AromaticContact CD1-CD2 3.79Å; Y360-Y367 HydrophobicContact CD1-CD2 3.79Å; Y360-Y367 AromaticContact CD1-CE2 3.81Å; Y360-Y367 HydrophobicContact CD1-CE2 3.81Å; Y360-Y367 HydrophobicContact CE1-CD2 4.47Å; Y360-Y367 HydrophobicContact CE1-CE2 4.03Å; F361-Y367 CarbonylContact O-C 3.58Å; F361-Y367 WeakPolarHBondContact O-CA 3.44Å; F361-Y367 WeakPolarHBondContact O-CB 3.19Å; F362-Y367 HydrophobicContact CD1-CG 4.49Å; F362-Y367 VanDerWaalsContact CE1-CB 3.49Å; F362-Y367 HydrophobicContact CE1-CD1 4.44Å; F362-Y367 HydrophobicContact CE1-CG 4.04Å; F362-Y367 HydrophobicContact CZ-CG 4.46Å; Y367-I369 HydrophobicContact CD2-CG1 4Å; Y367-I369 HydrophobicContact CE2-CD1 3.84Å; Y367-I369 HydrophobicContact CE2-CG1 3.62Å; Y367-P379 WeakPolarHBondContact O-CA 3.33Å; Y367-R380 HydrophobicContact CD1-CB 3.96Å; Y367-R380 HydrophobicContact CD2-CB 4.5Å; Y367-R380 HydrophobicContact CE1-CB 3.33Å; Y367-R380 HydrophobicContact CE2-CB 3.97Å; Y367-R380 PolarHBondContact N-O 2.9Å; Y367-R380 PolarHBondContact O-N 3.01Å; Y367-R380 WeakPolarHBondContact OH-CB 3.43Å; Y367-R380 WeakPolarHBondContact OH-CD 3.32Å; Y367-R380 PolarHBondContact OH-NH1 3.42Å; Y367-T381 VanDerWaalsContact CE1-O 3.22Å; Y367-T381 WeakPolarHBondContact CE1-O 3.37Å; Y367-D384 HydrophobicContact CE1-CB 4.19Å; Y367-D384 PolarHBondContact OH-OD2 2.91Å; Y367-F385 HydrophobicContact CD1-CD2 4.43Å; Y367-F385 AromaticContact CD1-CE2 3.78Å; Y367-F385 HydrophobicContact CD1-CE2 3.78Å; Y367-F385 HydrophobicContact CD2-CE2 4.17Å; Y367-F385 HydrophobicContact CE1-CD2 4.18Å; Y367-F385 AromaticContact CE1-CE2 3.62Å; Y367-F385 HydrophobicContact CE1-CE2 3.62Å; Y367-F385 HydrophobicContact CE2-CE2 4Å; Y367-F385 HydrophobicContact CE2-CZ 4.22Å; Y367-F385 HydrophobicContact CG-CE2 4.05Å; Y367-F385 AromaticContact CZ-CE2 3.74Å
368	W	92.1	Very high	87.5	Confident	12 Å²	12	42.9 Å²	42.9	5%	0.045	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.3	176.1	-67	-102.9	0	0	0	109.7	L343 M344 Y360 F361 K363 H366 M375 P379	L343-W368 HydrophobicContact CD2-CB 4.06Å; L343-W368 HydrophobicContact CD2-CD2 3.59Å; L343-W368 HydrophobicContact CD2-CE3 3.63Å; L343-W368 HydrophobicContact CD2-CG 3.8Å; L343-W368 HydrophobicContact CD2-CZ3 4.39Å; M344-W368 HydrophobicContact CE-CH2 3.84Å; M344-W368 HydrophobicContact CE-CZ2 3.99Å; Y360-W368 WeakPolarHBondContact CA-O 3.31Å; F361-W368 PolarHBondContact N-O 3.32Å; F361-W368 PolarHBondContact O-N 3.11Å; K363-W368 HydrophobicContact CB-CH2 3.98Å; K363-W368 HydrophobicContact CB-CZ3 3.61Å; H366-W368 HydrophobicContact CB-CH2 3.91Å; H366-W368 HydrophobicContact CB-CZ3 3.99Å; W368-M375 HydrophobicContact CB-CE 3.46Å; W368-M375 VanDerWaalsContact CB-CE 3.46Å; W368-M375 HydrophobicContact CG-CE 3.73Å; W368-P379 HydrophobicContact CD2-CB 4.15Å; W368-P379 HydrophobicContact CG-CB 4.45Å; W368-P379 HydrophobicContact CH2-CB 4.48Å; W368-P379 HydrophobicContact CZ2-CB 3.81Å; W368-P379 HydrophobicContact CZ2-CG 4.28Å
369	I	92.6	Very high	86.9	Confident	31 Å²	31	44.5 Å²	44.5	16%	0.159	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.5	178.5	-56.4	175.9	0	0	0	108.2	T358 A359 Y360 Y367 Q376	T358-I369 HydrophobicContact CG2-CG2 3.38Å; A359-I369 CarbonylContact O-C 3.56Å; A359-I369 WeakPolarHBondContact O-CA 3.48Å; Y360-I369 HydrophobicContact CD1-CG1 4.01Å; Y360-I369 HydrophobicContact CE1-CD1 4.14Å; Y360-I369 HydrophobicContact CE1-CG1 3.9Å; Y367-I369 HydrophobicContact CD2-CG1 4Å; Y367-I369 HydrophobicContact CE2-CD1 3.84Å; Y367-I369 HydrophobicContact CE2-CG1 3.62Å; I369-Q376 HydrophobicContact CB-CB 4.07Å; I369-Q376 HydrophobicContact CG2-CB 4.04Å; I369-Q376 HydrophobicContact CG2-CG 4.2Å; I369-Q376 WeakPolarHBondContact O-CB 3.42Å; I369-Q376 PolarHBondContact O-N 2.89Å
370	T	87.9	Confident	86.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.2	175.2	69.2	0	0	0	0	111.1	F340 T358 A359 F361 G372 Q374 M375	F340-T370 HydrophobicContact CD1-CG2 4.19Å; F340-T370 HydrophobicContact CE1-CG2 4.37Å; T358-T370 VanDerWaalsContact CA-O 3.32Å; T358-T370 WeakPolarHBondContact CA-O 3.42Å; A359-T370 WeakPolarHBondContact CB-OG1 3.31Å; A359-T370 PolarHBondContact N-O 2.93Å; A359-T370 PolarHBondContact O-N 2.68Å; A359-T370 PolarHBondContact O-OG1 3.3Å; F361-T370 HydrophobicContact CD2-CG2 3.75Å; F361-T370 HydrophobicContact CE2-CG2 3.6Å; F361-T370 WeakPolarHBondContact CE2-OG1 3.08Å; T370-G372 WeakPolarHBondContact CB-O 3.38Å; T370-G372 PolarHBondContact OG1-O 2.86Å; T370-Q374 CarbonylContact C-O 3.59Å; T370-Q374 VanDerWaalsContact CA-O 3.25Å; T370-Q374 WeakPolarHBondContact CA-O 3.29Å; T370-M375 HydrophobicContact CG2-CE 4.01Å; T370-M375 HydrophobicContact CG2-SD 3.57Å; T370-M375 VanDerWaalsContact CG2-SD 3.57Å
371	R	89.4	Confident	86.2	Confident	154 Å²	154	51 Å²	51	58%	0.581	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	107.6	162.5	-69.9	-172.9	178.2	-150.2	0.8	107.5	G357 F373 Q374 Q376	G357-R371 WeakPolarHBondContact O-CA 3.4Å; R371-F373 PolarHBondContact O-N 3.3Å; R371-Q374 PolarHBondContact N-O 3.28Å; R371-Q374 WeakPolarHBondContact O-CB 3.43Å; R371-Q374 PolarHBondContact O-N 3.39Å; R371-Q374 VanDerWaalsContact O-N 3.13Å; R371-Q376 HydrophobicContact CG-CG 4.24Å
372	G	85.4	Confident	86.1	Confident	31 Å²	31	51 Å²	51	32%	0.32	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	-133	-161.2	0	0	0	0	0	110.4	T370 Q374	T370-G372 WeakPolarHBondContact CB-O 3.38Å; T370-G372 PolarHBondContact OG1-O 2.86Å; G372-Q374 VanDerWaalsContact C-N 3.27Å; G372-Q374 PolarHBondContact O-N 2.85Å
373	F	81.5	Confident	86.2	Confident	69 Å²	69	53 Å²	53	30%	0.303	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	3.9	178.3	-63.9	-81.2	0	0	0	113.9	L308 F320 R322 F340 R371	L308-F373 HydrophobicContact CD2-CD1 4.04Å; L308-F373 HydrophobicContact CD2-CD2 4.25Å; L308-F373 HydrophobicContact CD2-CE1 3.74Å; L308-F373 HydrophobicContact CD2-CE2 3.94Å; L308-F373 HydrophobicContact CD2-CG 4.29Å; L308-F373 HydrophobicContact CD2-CZ 3.67Å; F320-F373 HydrophobicContact CE2-CE1 4.44Å; F320-F373 HydrophobicContact CZ-CE1 4.39Å; R322-F373 VanDerWaalsContact NH2-CZ 3.28Å; F340-F373 HydrophobicContact CD1-CD1 4.44Å; F340-F373 AromaticContact CE1-CD1 3.67Å; F340-F373 HydrophobicContact CE1-CD1 3.67Å; F340-F373 HydrophobicContact CE1-CE1 4.23Å; F340-F373 HydrophobicContact CE1-CG 4.49Å; F340-F373 AromaticContact CE2-CD1 3.93Å; F340-F373 HydrophobicContact CE2-CD1 3.93Å; F340-F373 AromaticContact CE2-CE1 3.89Å; F340-F373 HydrophobicContact CE2-CE1 3.89Å; F340-F373 AromaticContact CZ-CD1 3.37Å; F340-F373 HydrophobicContact CZ-CD1 3.37Å; F340-F373 AromaticContact CZ-CE1 3.47Å; F340-F373 HydrophobicContact CZ-CE1 3.47Å; F340-F373 VanDerWaalsContact CZ-CE1 3.47Å; F340-F373 HydrophobicContact CZ-CG 4.5Å; R371-F373 PolarHBondContact O-N 3.3Å
374	Q	77.6	Confident	86.4	Confident	138 Å²	138	53.9 Å²	53.9	65%	0.645	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	112.8	-178.4	-170	180	-2.6	0	0	111.4	T370 R371 G372 Q376	T370-Q374 CarbonylContact C-O 3.59Å; T370-Q374 VanDerWaalsContact CA-O 3.25Å; T370-Q374 WeakPolarHBondContact CA-O 3.29Å; R371-Q374 PolarHBondContact N-O 3.28Å; R371-Q374 WeakPolarHBondContact O-CB 3.43Å; R371-Q374 PolarHBondContact O-N 3.39Å; R371-Q374 VanDerWaalsContact O-N 3.13Å; G372-Q374 VanDerWaalsContact C-N 3.27Å; G372-Q374 PolarHBondContact O-N 2.85Å; Q374-Q376 PolarHBondContact O-NE2 2.93Å
375	M	78.2	Confident	86.9	Confident	29 Å²	29	53.4 Å²	53.4	14%	0.143	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	139.7	174.4	-54.8	-64.2	-50	0	0	111.9	F340 Q342 W368 T370	F340-M375 HydrophobicContact CB-SD 4.1Å; F340-M375 HydrophobicContact CD1-SD 4.14Å; Q342-M375 HydrophobicContact CB-CE 3.8Å; Q342-M375 HydrophobicContact CB-CG 4.34Å; Q342-M375 HydrophobicContact CB-SD 4.41Å; Q342-M375 HydrophobicContact CG-CB 4.43Å; Q342-M375 HydrophobicContact CG-CE 4.31Å; Q342-M375 HydrophobicContact CG-CG 4.05Å; W368-M375 HydrophobicContact CB-CE 3.46Å; W368-M375 VanDerWaalsContact CB-CE 3.46Å; W368-M375 HydrophobicContact CG-CE 3.73Å; T370-M375 HydrophobicContact CG2-CE 4.01Å; T370-M375 HydrophobicContact CG2-SD 3.57Å; T370-M375 VanDerWaalsContact CG2-SD 3.57Å
376	Q	83.5	Confident	87.4	Confident	67 Å²	67	54.3 Å²	54.3	31%	0.313	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	108.3	-178.8	-55.5	-60.7	-50.5	0	0	110	I369 R371 Q374	I369-Q376 HydrophobicContact CB-CB 4.07Å; I369-Q376 HydrophobicContact CG2-CB 4.04Å; I369-Q376 HydrophobicContact CG2-CG 4.2Å; I369-Q376 WeakPolarHBondContact O-CB 3.42Å; I369-Q376 PolarHBondContact O-N 2.89Å; R371-Q376 HydrophobicContact CG-CG 4.24Å; Q374-Q376 PolarHBondContact O-NE2 2.93Å
377	G	74.9	Confident	87.7	Confident	49 Å²	49	51.3 Å²	51.3	51%	0.505	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	66.7	-170.7	174.8	0	0	0	0	0	114.8	Q342	Q342-G377 PolarHBondContact OE1-O 3.5Å
378	P	74.8	Confident	87.7	Confident	100 Å²	100	53.3 Å²	53.3	65%	0.649	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	164.3	172.8	32.8	-34.9	0	0	0	111.8
379	P	81.3	Confident	87.5	Confident	45 Å²	45	61.4 Å²	61.4	29%	0.292	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	142.5	170.9	21.7	-30.9	0	0	0	111.4	H366 Y367 W368	H366-P379 HydrophobicContact CB-CB 4.43Å; Y367-P379 WeakPolarHBondContact O-CA 3.33Å; W368-P379 HydrophobicContact CD2-CB 4.15Å; W368-P379 HydrophobicContact CG-CB 4.45Å; W368-P379 HydrophobicContact CH2-CB 4.48Å; W368-P379 HydrophobicContact CZ2-CB 3.81Å; W368-P379 HydrophobicContact CZ2-CG 4.28Å
380	R	87.9	Confident	87.3	Confident	124 Å²	124	66.5 Å²	66.5	47%	0.468	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	173.8	175.7	-60.2	-172.4	83.3	-148.6	6.5	109	H366 Y367 D384	H366-R380 CarbonylContact C-O 3.57Å; H366-R380 WeakPolarHBondContact CA-O 3.49Å; Y367-R380 HydrophobicContact CD1-CB 3.96Å; Y367-R380 HydrophobicContact CD2-CB 4.5Å; Y367-R380 HydrophobicContact CE1-CB 3.33Å; Y367-R380 HydrophobicContact CE2-CB 3.97Å; Y367-R380 PolarHBondContact N-O 2.9Å; Y367-R380 PolarHBondContact O-N 3.01Å; Y367-R380 WeakPolarHBondContact OH-CB 3.43Å; Y367-R380 WeakPolarHBondContact OH-CD 3.32Å; Y367-R380 PolarHBondContact OH-NH1 3.42Å; R380-D384 IonicContact CZ-OD2 3.99Å; R380-D384 IonicContact NE-OD2 3.81Å; R380-D384 PolarHBondContact NE-OD2 3.31Å; R380-D384 IonicContact NH1-OD2 2.99Å; R380-D384 PolarHBondContact NH1-OD2 2.73Å; R380-D384 IonicContact NH2-OD2 2.67Å; R380-D384 PolarHBondContact NH2-OD2 3.3Å
381	T	90.9	Very high	87.5	Confident	40 Å²	40	66.8 Å²	66.8	25%	0.245	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141	-173.8	-174.9	0	0	0	0	111.8	P365 Y367 Y383 D384	P365-T381 WeakPolarHBondContact O-CA 3.29Å; P365-T381 PolarHBondContact O-OG1 3.35Å; P365-T381 VanDerWaalsContact O-OG1 3.09Å; Y367-T381 VanDerWaalsContact CE1-O 3.22Å; Y367-T381 WeakPolarHBondContact CE1-O 3.37Å; T381-Y383 HydrophobicContact CG2-CD2 3.94Å; T381-Y383 PolarHBondContact O-N 3.24Å; T381-Y383 WeakPolarHBondContact OG1-CD2 3.31Å; T381-Y383 VanDerWaalsContact OG1-CE2 3.29Å; T381-Y383 WeakPolarHBondContact OG1-CE2 3.18Å; T381-D384 VanDerWaalsContact O-CB 3.28Å; T381-D384 WeakPolarHBondContact O-CB 3.31Å; T381-D384 VanDerWaalsContact O-CG 3.25Å; T381-D384 PolarHBondContact O-N 3.45Å
382	I	93.1	Very high	87.5	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-56.6	-24.8	-178.5	63.5	175.6	0	0	0	112.6	F362 P365 D384 F385 F387 V391 I394	F362-I382 HydrophobicContact CD1-CG2 3.69Å; F362-I382 HydrophobicContact CE1-CG2 3.93Å; P365-I382 HydrophobicContact CB-CG1 4.5Å; P365-I382 PolarHBondContact O-N 3.43Å; I382-D384 PolarHBondContact O-N 2.94Å; I382-F385 WeakPolarHBondContact O-CB 3.49Å; I382-F385 PolarHBondContact O-N 3.17Å; I382-F387 HydrophobicContact CB-CD2 4.05Å; I382-F387 HydrophobicContact CG1-CD2 4.49Å; I382-F387 WeakPolarHBondContact O-CD2 3.38Å; I382-V391 HydrophobicContact CD1-CG1 3.94Å; I382-I394 HydrophobicContact CB-CD1 4.42Å; I382-I394 HydrophobicContact CD1-CG1 4.5Å; I382-I394 HydrophobicContact CG2-CD1 4.01Å
383	Y	94.9	Very high	87.7	Confident	44 Å²	44	68.2 Å²	68.2	17%	0.173	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-60.1	-18.8	175	-45.2	-56.8	0	0	0	113.8	T381 F385 G386 F387 Q392	T381-Y383 HydrophobicContact CG2-CD2 3.94Å; T381-Y383 PolarHBondContact O-N 3.24Å; T381-Y383 WeakPolarHBondContact OG1-CD2 3.31Å; T381-Y383 VanDerWaalsContact OG1-CE2 3.29Å; T381-Y383 WeakPolarHBondContact OG1-CE2 3.18Å; Y383-F385 PolarHBondContact O-N 3.18Å; Y383-G386 PolarHBondContact O-N 2.86Å; Y383-F387 HydrophobicContact CD1-CB 4.4Å; Y383-F387 WeakPolarHBondContact CD1-O 3.16Å; Y383-Q392 PolarHBondContact OH-NE2 3.38Å; Y383-Q392 PolarHBondContact OH-OE1 3.36Å
384	D	94.8	Very high	88.4	Confident	72 Å²	72	65 Å²	65	39%	0.385	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-59.9	-28.1	170.5	-68.9	-9.6	0	0	0	112.6	Y367 R380 T381 I382 G386	Y367-D384 HydrophobicContact CE1-CB 4.19Å; Y367-D384 PolarHBondContact OH-OD2 2.91Å; R380-D384 IonicContact CZ-OD2 3.99Å; R380-D384 IonicContact NE-OD2 3.81Å; R380-D384 PolarHBondContact NE-OD2 3.31Å; R380-D384 IonicContact NH1-OD2 2.99Å; R380-D384 PolarHBondContact NH1-OD2 2.73Å; R380-D384 IonicContact NH2-OD2 2.67Å; R380-D384 PolarHBondContact NH2-OD2 3.3Å; T381-D384 VanDerWaalsContact O-CB 3.28Å; T381-D384 WeakPolarHBondContact O-CB 3.31Å; T381-D384 VanDerWaalsContact O-CG 3.25Å; T381-D384 PolarHBondContact O-N 3.45Å; I382-D384 PolarHBondContact O-N 2.94Å; D384-G386 VanDerWaalsContact C-N 3.29Å
385	F	95.6	Very high	89.3	Confident	9 Å²	9	59.4 Å²	59.4	4%	0.039	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-80	-12.5	175.4	-67.3	-85.4	0	0	0	112.6	Y351 Y360 F362 Y367 I382 Y383 F387 F408 Y417 M424	Y351-F385 WeakPolarHBondContact OH-CE1 3.45Å; Y360-F385 AromaticContact CD1-CZ 3.97Å; Y360-F385 HydrophobicContact CD1-CZ 3.97Å; Y360-F385 HydrophobicContact CE1-CZ 4.11Å; F362-F385 HydrophobicContact CE1-CD2 4.47Å; F362-F385 AromaticContact CE1-CE2 3.89Å; F362-F385 HydrophobicContact CE1-CE2 3.89Å; F362-F385 AromaticContact CZ-CE2 3.95Å; F362-F385 HydrophobicContact CZ-CE2 3.95Å; F362-F385 HydrophobicContact CZ-CZ 4.11Å; Y367-F385 HydrophobicContact CD1-CD2 4.43Å; Y367-F385 AromaticContact CD1-CE2 3.78Å; Y367-F385 HydrophobicContact CD1-CE2 3.78Å; Y367-F385 HydrophobicContact CD2-CE2 4.17Å; Y367-F385 HydrophobicContact CE1-CD2 4.18Å; Y367-F385 AromaticContact CE1-CE2 3.62Å; Y367-F385 HydrophobicContact CE1-CE2 3.62Å; Y367-F385 HydrophobicContact CE2-CE2 4Å; Y367-F385 HydrophobicContact CE2-CZ 4.22Å; Y367-F385 HydrophobicContact CG-CE2 4.05Å; Y367-F385 AromaticContact CZ-CE2 3.74Å; I382-F385 WeakPolarHBondContact O-CB 3.49Å; I382-F385 PolarHBondContact O-N 3.17Å; Y383-F385 PolarHBondContact O-N 3.18Å; F385-F387 HydrophobicContact CB-CD2 3.89Å; F385-F387 HydrophobicContact CB-CE2 3.91Å; F385-F408 HydrophobicContact CD1-CE2 4.09Å; F385-F408 AromaticContact CD1-CZ 3.9Å; F385-F408 HydrophobicContact CD1-CZ 3.9Å; F385-F408 AromaticContact CE1-CZ 3.96Å; F385-F408 HydrophobicContact CE1-CZ 3.96Å; F385-F408 HydrophobicContact CG-CE2 4.41Å; F385-F408 HydrophobicContact CG-CZ 4.27Å; F385-F408 HydrophobicContact CZ-CZ 4.37Å; F385-Y417 HydrophobicContact CB-CD2 4.11Å; F385-Y417 HydrophobicContact CB-CE2 4.04Å; F385-Y417 HydrophobicContact CD1-CD1 4.07Å; F385-Y417 AromaticContact CD1-CD2 3.9Å; F385-Y417 HydrophobicContact CD1-CD2 3.9Å; F385-Y417 AromaticContact CD1-CE1 3.85Å; F385-Y417 HydrophobicContact CD1-CE1 3.85Å; F385-Y417 AromaticContact CD1-CE2 3.68Å; F385-Y417 HydrophobicContact CD1-CE2 3.68Å; F385-Y417 HydrophobicContact CD1-CG 4.08Å; F385-Y417 AromaticContact CD1-CZ 3.63Å; F385-Y417 HydrophobicContact CE1-CD1 4.45Å; F385-Y417 HydrophobicContact CE1-CE1 4.13Å; F385-Y417 HydrophobicContact CG-CE2 4.34Å; F385-Y417 WeakPolarHBondContact O-CD2 3.47Å; F385-Y417 WeakPolarHBondContact O-CE2 3.35Å; F385-M424 HydrophobicContact CB-CE 4.3Å
386	G	95.7	Very high	90.3	Very high	50 Å²	50	58 Å²	58	52%	0.515	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.9	13.3	-176.5	0	0	0	0	0	114.7	Y383 D384	Y383-G386 PolarHBondContact O-N 2.86Å; D384-G386 VanDerWaalsContact C-N 3.29Å
387	F	95.9	Very high	91	Very high	9 Å²	9	54.9 Å²	54.9	4%	0.039	29%	0.286	C	S	.	.			trans	-61.8	144.3	173.8	-76.5	-79.3	0	0	0	112.1	I382 Y383 F385 V391 I394 F408 V410 Y415 M424	I382-F387 HydrophobicContact CB-CD2 4.05Å; I382-F387 HydrophobicContact CG1-CD2 4.49Å; I382-F387 WeakPolarHBondContact O-CD2 3.38Å; Y383-F387 HydrophobicContact CD1-CB 4.4Å; Y383-F387 WeakPolarHBondContact CD1-O 3.16Å; F385-F387 HydrophobicContact CB-CD2 3.89Å; F385-F387 HydrophobicContact CB-CE2 3.91Å; F387-V391 HydrophobicContact CB-CB 4.46Å; F387-V391 HydrophobicContact CD1-CB 4.35Å; F387-V391 HydrophobicContact CD1-CG1 3.99Å; F387-V391 HydrophobicContact CD1-CG2 4.38Å; F387-V391 HydrophobicContact CG-CG1 4.46Å; F387-I394 HydrophobicContact CD2-CD1 4.49Å; F387-I394 HydrophobicContact CE2-CD1 3.68Å; F387-I394 HydrophobicContact CZ-CD1 3.74Å; F387-I394 HydrophobicContact CZ-CG1 4.25Å; F387-F408 HydrophobicContact CE1-CB 4.26Å; F387-F408 AromaticContact CE2-CD2 3.98Å; F387-F408 HydrophobicContact CE2-CD2 3.98Å; F387-F408 HydrophobicContact CE2-CE2 4.22Å; F387-F408 HydrophobicContact CE2-CG 4.17Å; F387-F408 HydrophobicContact CZ-CB 3.56Å; F387-F408 HydrophobicContact CZ-CD1 4.28Å; F387-F408 AromaticContact CZ-CD2 3.6Å; F387-F408 HydrophobicContact CZ-CD2 3.6Å; F387-F408 HydrophobicContact CZ-CE2 4.3Å; F387-F408 AromaticContact CZ-CG 3.58Å; F387-F408 HydrophobicContact CZ-CG 3.58Å; F387-V410 HydrophobicContact CE1-CG2 4.35Å; F387-Y415 HydrophobicContact CD1-CD1 4.19Å; F387-Y415 HydrophobicContact CD1-CD2 4.33Å; F387-Y415 HydrophobicContact CD1-CE1 4.22Å; F387-Y415 HydrophobicContact CD1-CE2 4.39Å; F387-Y415 HydrophobicContact CD1-CG 4.26Å; F387-Y415 HydrophobicContact CE1-CD1 4.03Å; F387-Y415 AromaticContact CE1-CD2 3.66Å; F387-Y415 HydrophobicContact CE1-CD2 3.66Å; F387-Y415 HydrophobicContact CE1-CE1 4.4Å; F387-Y415 HydrophobicContact CE1-CE2 4.09Å; F387-Y415 AromaticContact CE1-CG 3.64Å; F387-Y415 HydrophobicContact CE1-CG 3.64Å; F387-Y415 HydrophobicContact CZ-CG 4.49Å; F387-M424 HydrophobicContact CD1-CE 4.11Å; F387-M424 HydrophobicContact CD2-CE 3.91Å; F387-M424 HydrophobicContact CE1-CE 3.89Å; F387-M424 HydrophobicContact CE2-CE 3.69Å; F387-M424 HydrophobicContact CG-CE 4.13Å; F387-M424 HydrophobicContact CZ-CE 3.68Å
388	P	93.3	Very high	92.1	Very high	46 Å²	46	52.7 Å²	52.7	30%	0.299	26%	0.262	S	S	.	.			trans	-70	153.4	172.5	30.9	-34.5	0	0	0	111.2	H390 V391	P388-H390 WeakPolarHBondContact CB-CE1 3.43Å; P388-H390 WeakPolarHBondContact CG-CE1 3.21Å; P388-H390 WeakPolarHBondContact CG-NE2 3.36Å; P388-H390 PolarHBondContact O-N 3.39Å; P388-H390 VanDerWaalsContact O-N 3.08Å; P388-V391 HydrophobicContact CG-CG2 3.88Å; P388-V391 PolarHBondContact O-N 3.35Å
389	R	88.7	Confident	93.1	Very high	182 Å²	182	48.8 Å²	48.8	69%	0.687	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.7	-172.9	-67.8	-67.6	-171.7	171.7	2.1	115	Q392	R389-Q392 PolarHBondContact O-NE2 3.46Å
390	H	88.9	Confident	93.8	Very high	138 Å²	138	47.9 Å²	47.9	64%	0.639	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-21.9	177.3	62.3	-101.3	0	0	0	112.4	P388 Q392	P388-H390 WeakPolarHBondContact CB-CE1 3.43Å; P388-H390 WeakPolarHBondContact CG-CE1 3.21Å; P388-H390 WeakPolarHBondContact CG-NE2 3.36Å; P388-H390 PolarHBondContact O-N 3.39Å; P388-H390 VanDerWaalsContact O-N 3.08Å; H390-Q392 PolarHBondContact O-N 2.96Å
391	V	91.9	Very high	94	Very high	6 Å²	6	49 Å²	49	4%	0.036	23%	0.232	C	C	.	.			trans	-74.2	114.5	174.1	175.7	0	0	0	0	108.3	I382 F387 P388 V410	I382-V391 HydrophobicContact CD1-CG1 3.94Å; F387-V391 HydrophobicContact CB-CB 4.46Å; F387-V391 HydrophobicContact CD1-CB 4.35Å; F387-V391 HydrophobicContact CD1-CG1 3.99Å; F387-V391 HydrophobicContact CD1-CG2 4.38Å; F387-V391 HydrophobicContact CG-CG1 4.46Å; P388-V391 HydrophobicContact CG-CG2 3.88Å; P388-V391 PolarHBondContact O-N 3.35Å; V391-V410 HydrophobicContact CG1-CG1 4.13Å; V391-V410 HydrophobicContact CG1-CG2 4.11Å; V391-V410 HydrophobicContact CG2-CG1 4.5Å
392	Q	88	Confident	93.9	Very high	101 Å²	101	55.3 Å²	55.3	47%	0.472	26%	0.258	S	S	.	.			trans	-108.6	-7.4	-177.6	-65.3	-59.8	-35.8	0	0	113.4	G364 P365 Y383 R389 H390	G364-Q392 CarbonylContact C-O 3.55Å; G364-Q392 VanDerWaalsContact CA-O 3.26Å; G364-Q392 WeakPolarHBondContact CA-O 3.43Å; P365-Q392 WeakPolarHBondContact CD-O 3.5Å; Y383-Q392 PolarHBondContact OH-NE2 3.38Å; Y383-Q392 PolarHBondContact OH-OE1 3.36Å; R389-Q392 PolarHBondContact O-NE2 3.46Å; H390-Q392 PolarHBondContact O-N 2.96Å
393	R	91.2	Very high	93.9	Very high	115 Å²	115	58.6 Å²	58.6	43%	0.434	28%	0.28	S	S	.	.			trans	-159.3	151.9	-175.8	-177.7	176.2	177.4	-164.4	-3.3	109.9	D348 D395	D348-R393 HydrophobicContact CB-CG 4.27Å; D348-R393 IonicContact OD1-CZ 2.81Å; D348-R393 IonicContact OD1-NE 3.43Å; D348-R393 IonicContact OD1-NH2 3.67Å; D348-R393 PolarHBondContact OD1-NH2 2.96Å; D348-R393 IonicContact OD2-NE 2.91Å; D348-R393 PolarHBondContact OD2-NE 3.36Å; R393-D395 IonicContact NE-OD1 3.58Å
394	I	96.3	Very high	93.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.288	C	S	.	.			trans	-115.4	132.7	170.5	-59.5	173.8	0	0	0	106.9	D348 A349 F362 I382 F387 A396 F408 F409 V410	D348-I394 WeakPolarHBondContact CB-O 3.17Å; A349-I394 HydrophobicContact CB-CB 4.41Å; A349-I394 HydrophobicContact CB-CG2 3.96Å; F362-I394 HydrophobicContact CD1-CD1 3.67Å; F362-I394 HydrophobicContact CE1-CD1 3.78Å; F362-I394 HydrophobicContact CG-CD1 4.38Å; I382-I394 HydrophobicContact CB-CD1 4.42Å; I382-I394 HydrophobicContact CD1-CG1 4.5Å; I382-I394 HydrophobicContact CG2-CD1 4.01Å; F387-I394 HydrophobicContact CD2-CD1 4.49Å; F387-I394 HydrophobicContact CE2-CD1 3.68Å; F387-I394 HydrophobicContact CZ-CD1 3.74Å; F387-I394 HydrophobicContact CZ-CG1 4.25Å; I394-A396 WeakPolarHBondContact CG2-O 3.4Å; I394-F408 HydrophobicContact CD1-CD1 3.84Å; I394-F408 HydrophobicContact CD1-CE1 4.25Å; I394-F408 HydrophobicContact CD1-CG 4.38Å; I394-F408 HydrophobicContact CG2-CB 4.2Å; I394-F408 HydrophobicContact CG2-CD1 4.1Å; I394-F409 WeakPolarHBondContact CG2-O 3.43Å; I394-V410 HydrophobicContact CG1-CG2 4.36Å
395	D	95.5	Very high	93.9	Very high	21 Å²	21	59.3 Å²	59.3	11%	0.112	28%	0.282	C	S	.	.	S	Bend	trans	-89.6	-35.1	-176.8	-63.1	-31	0	0	0	111.8	D348 R393 F409 G411 Q442 D444	D348-D395 CarbonylContact O-C 3.6Å; R393-D395 IonicContact NE-OD1 3.58Å; D395-F409 PolarHBondContact N-O 2.86Å; D395-G411 PolarHBondContact OD2-N 2.78Å; D395-Q442 PolarHBondContact OD2-NE2 3.21Å; D395-D444 CarbonylContact O-C 3.51Å
396	A	98.3	Very high	94.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	157.2	172.6	0	0	0	0	0	111.6	I394 F409 I443 A446	I394-A396 WeakPolarHBondContact CG2-O 3.4Å; A396-F409 HydrophobicContact CB-CB 4.12Å; A396-F409 HydrophobicContact CB-CD2 3.89Å; A396-F409 HydrophobicContact CB-CG 4.37Å; A396-F409 PolarHBondContact N-O 2.83Å; A396-F409 PolarHBondContact O-N 3.35Å; A396-I443 HydrophobicContact CB-CG2 3.62Å; A396-A446 HydrophobicContact CB-CB 4.28Å
397	A	98.4	Very high	94.2	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	140.5	174.7	0	0	0	0	0	109.9	A349 A350 Y351 L407 F408 A446	A349-A397 HydrophobicContact CB-CB 4.15Å; A350-A397 VanDerWaalsContact O-O 3.13Å; Y351-A397 HydrophobicContact CD1-CB 3.75Å; Y351-A397 HydrophobicContact CG-CB 4.34Å; A397-L407 CarbonylContact C-O 3.57Å; A397-L407 VanDerWaalsContact CA-O 3.27Å; A397-L407 WeakPolarHBondContact CA-O 3.18Å; A397-F408 HydrophobicContact CB-CD1 3.71Å; A397-F408 HydrophobicContact CB-CE1 4Å; A397-A446 VanDerWaalsContact O-O 3.11Å
398	V	97.9	Very high	94.3	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	134.8	175.8	62.2	0	0	0	0	110.4	L400 T406 L407 F409 A446 E448 I453	V398-L400 HydrophobicContact CG1-CD2 4.4Å; V398-L400 HydrophobicContact CG2-CD2 4.2Å; V398-T406 CarbonylContact O-C 3.6Å; V398-T406 WeakPolarHBondContact O-CA 3.13Å; V398-L407 HydrophobicContact CG1-CB 3.95Å; V398-L407 HydrophobicContact CG1-CD1 4.47Å; V398-L407 HydrophobicContact CG1-CG 4.45Å; V398-L407 PolarHBondContact N-O 2.81Å; V398-L407 PolarHBondContact O-N 2.9Å; V398-F409 HydrophobicContact CG1-CE2 3.99Å; V398-A446 HydrophobicContact CB-CB 3.79Å; V398-A446 HydrophobicContact CG1-CB 4.05Å; V398-E448 HydrophobicContact CG2-CB 3.94Å; V398-I453 HydrophobicContact CG1-CG2 4.42Å; V398-I453 HydrophobicContact CG2-CG2 4.45Å
399	Y	97.6	Very high	94.6	Very high	19 Å²	19	54.4 Å²	54.4	8%	0.075	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.6	171.5	175.4	-113.3	0	0	0	110.1	E352 V353 E355 R401 K405 E419	E352-Y399 WeakPolarHBondContact O-CB 3.47Å; E352-Y399 WeakPolarHBondContact O-CD1 3.38Å; V353-Y399 HydrophobicContact CG1-CE1 4.19Å; V353-Y399 HydrophobicContact CG1-CE2 4.25Å; V353-Y399 HydrophobicContact CG2-CD2 4.29Å; V353-Y399 HydrophobicContact CG2-CG 4.44Å; E355-Y399 WeakPolarHBondContact OE2-CE1 3.24Å; E355-Y399 PolarHBondContact OE2-OH 2.91Å; Y399-R401 HydrophobicContact CE1-CB 4.43Å; Y399-K405 WeakPolarHBondContact CD2-O 3.47Å; Y399-E419 HydrophobicContact CD2-CG 4.1Å; Y399-E419 HydrophobicContact CE2-CB 4.31Å; Y399-E419 HydrophobicContact CE2-CG 3.88Å
400	L	95.3	Very high	94.9	Very high	25 Å²	25	47 Å²	47	13%	0.131	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	112.5	177	-57.4	-176.1	0	0	0	108.8	V398 P403 Q404 K405 L407 E448 I453	V398-L400 HydrophobicContact CG1-CD2 4.4Å; V398-L400 HydrophobicContact CG2-CD2 4.2Å; L400-P403 HydrophobicContact CB-CG 3.42Å; L400-P403 VanDerWaalsContact CB-CG 3.42Å; L400-P403 HydrophobicContact CD1-CG 4.16Å; L400-P403 HydrophobicContact CG-CG 4.46Å; L400-Q404 VanDerWaalsContact O-CA 3.29Å; L400-Q404 WeakPolarHBondContact O-CA 3.44Å; L400-Q404 PolarHBondContact O-N 3.06Å; L400-K405 PolarHBondContact N-O 2.89Å; L400-K405 PolarHBondContact O-N 2.64Å; L400-L407 HydrophobicContact CD1-CD1 3.76Å; L400-L407 HydrophobicContact CD1-CG 3.98Å; L400-L407 HydrophobicContact CG-CD1 4.48Å; L400-L407 HydrophobicContact CG-CG 4.42Å; L400-E448 HydrophobicContact CD2-CB 4.4Å; L400-E448 HydrophobicContact CD2-CG 4.41Å; L400-I453 HydrophobicContact CD1-CD1 4.24Å; L400-I453 HydrophobicContact CD2-CD1 3.58Å; L400-I453 HydrophobicContact CD2-CG1 3.69Å
401	R	91.1	Very high	95.1	Very high	149 Å²	149	41.9 Å²	41.9	56%	0.562	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-51.9	-171.5	-171.9	173.3	-168.2	-160.1	-7	113.6	E355 Y399 Q404	E355-R401 VanDerWaalsContact OE1-CG 3.29Å; E355-R401 WeakPolarHBondContact OE1-CG 3.21Å; E355-R401 IonicContact OE1-CZ 3.79Å; E355-R401 IonicContact OE1-NE 2.87Å; E355-R401 PolarHBondContact OE1-NE 2.77Å; E355-R401 IonicContact OE1-NH2 3.9Å; Y399-R401 HydrophobicContact CE1-CB 4.43Å; R401-Q404 VanDerWaalsContact O-CG 3.31Å; R401-Q404 WeakPolarHBondContact O-CG 3.39Å; R401-Q404 PolarHBondContact O-N 2.51Å
402	E	89.4	Confident	95	Very high	171 Å²	171	46.8 Å²	46.8	80%	0.799	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-52.8	-177	-67.1	-59.6	147.7	0	0	112.7	Q404	E402-Q404 PolarHBondContact O-N 2.81Å
403	P	92.6	Very high	95.4	Very high	69 Å²	69	45.3 Å²	45.3	45%	0.448	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.8	177.2	33.2	-38.2	0	0	0	113.3	L400 K405	L400-P403 HydrophobicContact CB-CG 3.42Å; L400-P403 VanDerWaalsContact CB-CG 3.42Å; L400-P403 HydrophobicContact CD1-CG 4.16Å; L400-P403 HydrophobicContact CG-CG 4.46Å; P403-K405 VanDerWaalsContact C-N 3.3Å; P403-K405 HydrophobicContact CB-CB 4.43Å; P403-K405 HydrophobicContact CB-CD 4.19Å; P403-K405 HydrophobicContact CB-CG 4.17Å; P403-K405 HydrophobicContact CG-CB 4.36Å; P403-K405 PolarHBondContact O-N 3.2Å
404	Q	94.8	Very high	95.6	Very high	76 Å²	76	40 Å²	40	36%	0.355	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	47.1	-172	-57.7	-177.7	21.7	0	0	112.6	L400 R401 E402 E419 R420	L400-Q404 VanDerWaalsContact O-CA 3.29Å; L400-Q404 WeakPolarHBondContact O-CA 3.44Å; L400-Q404 PolarHBondContact O-N 3.06Å; R401-Q404 VanDerWaalsContact O-CG 3.31Å; R401-Q404 WeakPolarHBondContact O-CG 3.39Å; R401-Q404 PolarHBondContact O-N 2.51Å; E402-Q404 PolarHBondContact O-N 2.81Å; Q404-E419 WeakPolarHBondContact O-CB 3.47Å; Q404-E419 PolarHBondContact O-N 3.08Å; Q404-R420 HydrophobicContact CB-CG 4.21Å; Q404-R420 VanDerWaalsContact OE1-CD 3.23Å
405	K	96.5	Very high	95.7	Very high	56 Å²	56	40.4 Å²	40.4	24%	0.243	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.1	-179.3	-70.3	-179.3	174.2	-162	0	110.3	Y399 L400 P403 Y417 E425	Y399-K405 WeakPolarHBondContact CD2-O 3.47Å; L400-K405 PolarHBondContact N-O 2.89Å; L400-K405 PolarHBondContact O-N 2.64Å; P403-K405 VanDerWaalsContact C-N 3.3Å; P403-K405 HydrophobicContact CB-CB 4.43Å; P403-K405 HydrophobicContact CB-CD 4.19Å; P403-K405 HydrophobicContact CB-CG 4.17Å; P403-K405 HydrophobicContact CG-CB 4.36Å; P403-K405 PolarHBondContact O-N 3.2Å; K405-Y417 WeakPolarHBondContact CA-O 3.49Å; K405-E425 WeakPolarHBondContact CE-OE1 3.48Å; K405-E425 IonicContact NZ-OE1 3.15Å; K405-E425 PolarHBondContact NZ-OE1 3.31Å; K405-E425 IonicContact NZ-OE2 2.81Å; K405-E425 PolarHBondContact NZ-OE2 2.9Å
406	T	98.3	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.3	169.1	-58.3	0	0	0	0	108.4	Y351 V398 F408 Y417 E419	Y351-T406 HydrophobicContact CD1-CG2 3.95Å; Y351-T406 HydrophobicContact CD2-CG2 3.91Å; Y351-T406 HydrophobicContact CE1-CG2 3.77Å; Y351-T406 HydrophobicContact CE2-CG2 3.67Å; Y351-T406 WeakPolarHBondContact CE2-OG1 3.36Å; Y351-T406 HydrophobicContact CG-CG2 4.02Å; V398-T406 CarbonylContact O-C 3.6Å; V398-T406 WeakPolarHBondContact O-CA 3.13Å; T406-F408 HydrophobicContact CG2-CD1 4.29Å; T406-F408 HydrophobicContact CG2-CD2 4.33Å; T406-F408 HydrophobicContact CG2-CE1 3.8Å; T406-F408 HydrophobicContact CG2-CE2 3.85Å; T406-F408 HydrophobicContact CG2-CZ 3.56Å; T406-Y417 PolarHBondContact N-O 3.17Å; T406-Y417 PolarHBondContact O-N 2.75Å; T406-E419 WeakPolarHBondContact OG1-CG 2.98Å; T406-E419 PolarHBondContact OG1-OE1 3.34Å
407	L	98.3	Very high	95.9	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135	171.7	-54.4	-174.1	0	0	0	109.4	A397 V398 L400 F409 Y414 Y415 F436	A397-L407 CarbonylContact C-O 3.57Å; A397-L407 VanDerWaalsContact CA-O 3.27Å; A397-L407 WeakPolarHBondContact CA-O 3.18Å; V398-L407 HydrophobicContact CG1-CB 3.95Å; V398-L407 HydrophobicContact CG1-CD1 4.47Å; V398-L407 HydrophobicContact CG1-CG 4.45Å; V398-L407 PolarHBondContact N-O 2.81Å; V398-L407 PolarHBondContact O-N 2.9Å; L400-L407 HydrophobicContact CD1-CD1 3.76Å; L400-L407 HydrophobicContact CD1-CG 3.98Å; L400-L407 HydrophobicContact CG-CD1 4.48Å; L400-L407 HydrophobicContact CG-CG 4.42Å; L407-F409 HydrophobicContact CB-CE2 3.98Å; L407-F409 HydrophobicContact CB-CZ 4.08Å; L407-F409 HydrophobicContact CD1-CZ 4.27Å; L407-Y414 HydrophobicContact CB-CD2 4.45Å; L407-Y414 HydrophobicContact CD1-CD2 4.41Å; L407-Y414 HydrophobicContact CD1-CE2 4.36Å; L407-Y414 HydrophobicContact CD2-CD2 4.14Å; L407-Y414 HydrophobicContact CD2-CE2 4.01Å; L407-Y415 CarbonylContact C-O 3.47Å; L407-Y415 WeakPolarHBondContact CA-O 3.24Å; L407-F436 HydrophobicContact CD1-CE1 4.46Å; L407-F436 HydrophobicContact CD1-CZ 3.75Å
408	F	98.6	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.5	176.2	-62.2	-75.2	0	0	0	109.9	Y351 F362 F385 F387 I394 A397 T406 Y414 Y415 Y417 M424	Y351-F408 HydrophobicContact CD1-CE1 4.12Å; Y351-F408 AromaticContact CE1-CE1 3.62Å; Y351-F408 HydrophobicContact CE1-CE1 3.62Å; Y351-F408 AromaticContact CE1-CZ 3.81Å; Y351-F408 HydrophobicContact CE1-CZ 3.81Å; F362-F408 HydrophobicContact CE1-CE1 4.24Å; F362-F408 HydrophobicContact CE2-CE1 4.15Å; F362-F408 AromaticContact CZ-CE1 3.69Å; F362-F408 HydrophobicContact CZ-CE1 3.69Å; F362-F408 HydrophobicContact CZ-CZ 4.3Å; F385-F408 HydrophobicContact CD1-CE2 4.09Å; F385-F408 AromaticContact CD1-CZ 3.9Å; F385-F408 HydrophobicContact CD1-CZ 3.9Å; F385-F408 AromaticContact CE1-CZ 3.96Å; F385-F408 HydrophobicContact CE1-CZ 3.96Å; F385-F408 HydrophobicContact CG-CE2 4.41Å; F385-F408 HydrophobicContact CG-CZ 4.27Å; F385-F408 HydrophobicContact CZ-CZ 4.37Å; F387-F408 HydrophobicContact CE1-CB 4.26Å; F387-F408 AromaticContact CE2-CD2 3.98Å; F387-F408 HydrophobicContact CE2-CD2 3.98Å; F387-F408 HydrophobicContact CE2-CE2 4.22Å; F387-F408 HydrophobicContact CE2-CG 4.17Å; F387-F408 HydrophobicContact CZ-CB 3.56Å; F387-F408 HydrophobicContact CZ-CD1 4.28Å; F387-F408 AromaticContact CZ-CD2 3.6Å; F387-F408 HydrophobicContact CZ-CD2 3.6Å; F387-F408 HydrophobicContact CZ-CE2 4.3Å; F387-F408 AromaticContact CZ-CG 3.58Å; F387-F408 HydrophobicContact CZ-CG 3.58Å; I394-F408 HydrophobicContact CD1-CD1 3.84Å; I394-F408 HydrophobicContact CD1-CE1 4.25Å; I394-F408 HydrophobicContact CD1-CG 4.38Å; I394-F408 HydrophobicContact CG2-CB 4.2Å; I394-F408 HydrophobicContact CG2-CD1 4.1Å; A397-F408 HydrophobicContact CB-CD1 3.71Å; A397-F408 HydrophobicContact CB-CE1 4Å; T406-F408 HydrophobicContact CG2-CD1 4.29Å; T406-F408 HydrophobicContact CG2-CD2 4.33Å; T406-F408 HydrophobicContact CG2-CE1 3.8Å; T406-F408 HydrophobicContact CG2-CE2 3.85Å; T406-F408 HydrophobicContact CG2-CZ 3.56Å; F408-Y414 CarbonylContact O-C 3.56Å; F408-Y414 WeakPolarHBondContact O-CA 3.49Å; F408-Y415 PolarHBondContact N-O 2.99Å; F408-Y415 PolarHBondContact O-N 3.15Å; F408-Y417 HydrophobicContact CE2-CG 4.19Å; F408-M424 HydrophobicContact CD2-CE 4.38Å
409	F	98.1	Very high	95.7	Very high	2 Å²	2	41 Å²	41	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.2	-179	-58.3	-88.5	0	0	0	110	I394 D395 A396 V398 L407 Y414 T432 F436 I443 A446 F455	I394-F409 WeakPolarHBondContact CG2-O 3.43Å; D395-F409 PolarHBondContact N-O 2.86Å; A396-F409 HydrophobicContact CB-CB 4.12Å; A396-F409 HydrophobicContact CB-CD2 3.89Å; A396-F409 HydrophobicContact CB-CG 4.37Å; A396-F409 PolarHBondContact N-O 2.83Å; A396-F409 PolarHBondContact O-N 3.35Å; V398-F409 HydrophobicContact CG1-CE2 3.99Å; L407-F409 HydrophobicContact CB-CE2 3.98Å; L407-F409 HydrophobicContact CB-CZ 4.08Å; L407-F409 HydrophobicContact CD1-CZ 4.27Å; F409-Y414 VanDerWaalsContact CD1-CB 3.46Å; F409-Y414 HydrophobicContact CD1-CG 4.43Å; F409-Y414 HydrophobicContact CE1-CD2 4.49Å; F409-Y414 HydrophobicContact CE1-CG 4.12Å; F409-T432 HydrophobicContact CD1-CG2 3.99Å; F409-T432 HydrophobicContact CE1-CG2 4.04Å; F409-F436 HydrophobicContact CE1-CD2 4.19Å; F409-F436 AromaticContact CE1-CE2 3.78Å; F409-F436 HydrophobicContact CE1-CE2 3.78Å; F409-F436 HydrophobicContact CE1-CZ 4.41Å; F409-F436 HydrophobicContact CZ-CE2 4.16Å; F409-F436 HydrophobicContact CZ-CZ 4.34Å; F409-I443 HydrophobicContact CD1-CD1 3.57Å; F409-I443 HydrophobicContact CD2-CG2 4.46Å; F409-I443 HydrophobicContact CE1-CD1 3.64Å; F409-I443 HydrophobicContact CG-CB 4.48Å; F409-I443 HydrophobicContact CG-CD1 4.13Å; F409-I443 HydrophobicContact CG-CG2 4.44Å; F409-I443 HydrophobicContact CZ-CD1 4.26Å; F409-A446 HydrophobicContact CE2-CB 4.28Å; F409-F455 HydrophobicContact CE1-CE1 4.12Å; F409-F455 AromaticContact CE2-CE1 3.91Å; F409-F455 HydrophobicContact CE2-CE1 3.91Å; F409-F455 HydrophobicContact CZ-CD1 4.48Å; F409-F455 AromaticContact CZ-CE1 3.48Å; F409-F455 HydrophobicContact CZ-CE1 3.48Å; F409-F455 VanDerWaalsContact CZ-CE1 3.48Å; F409-F455 HydrophobicContact CZ-CZ 4.09Å
410	V	96.6	Very high	95.5	Very high	26 Å²	26	49 Å²	49	16%	0.158	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	103.2	-177.6	-176.6	0	0	0	0	107.8	F387 V391 I394 D412 E413 Y415	F387-V410 HydrophobicContact CE1-CG2 4.35Å; V391-V410 HydrophobicContact CG1-CG1 4.13Å; V391-V410 HydrophobicContact CG1-CG2 4.11Å; V391-V410 HydrophobicContact CG2-CG1 4.5Å; I394-V410 HydrophobicContact CG1-CG2 4.36Å; V410-D412 PolarHBondContact O-N 3.14Å; V410-E413 PolarHBondContact N-O 3.04Å; V410-E413 PolarHBondContact O-N 2.67Å; V410-E413 VanDerWaalsContact O-N 3.1Å; V410-Y415 HydrophobicContact CB-CE2 4.2Å; V410-Y415 HydrophobicContact CG2-CD2 4.17Å; V410-Y415 HydrophobicContact CG2-CE2 4.03Å
411	G	91.9	Very high	95.6	Very high	31 Å²	31	55.2 Å²	55.2	32%	0.32	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	-123.5	-174.2	0	0	0	0	0	111.9	D395	D395-G411 PolarHBondContact OD2-N 2.78Å
412	D	91.3	Very high	95.7	Very high	109 Å²	109	56.1 Å²	56.1	58%	0.583	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-2.6	175.9	52	-20.2	0	0	0	113.2	V410 T432	V410-D412 PolarHBondContact O-N 3.14Å; D412-T432 VanDerWaalsContact O-CB 3.31Å; D412-T432 WeakPolarHBondContact O-CB 3.41Å; D412-T432 PolarHBondContact O-N 3.43Å; D412-T432 PolarHBondContact O-OG1 2.98Å
413	E	95	Very high	96.1	Very high	71 Å²	71	54.2 Å²	54.2	33%	0.332	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	156.1	-177.4	-69	-174.8	143.5	0	0	112.7	V410 P429 K430 T432	V410-E413 PolarHBondContact N-O 3.04Å; V410-E413 PolarHBondContact O-N 2.67Å; V410-E413 VanDerWaalsContact O-N 3.1Å; E413-P429 HydrophobicContact CB-CB 3.84Å; E413-P429 HydrophobicContact CG-CB 4.12Å; E413-P429 WeakPolarHBondContact OE1-CG 3.29Å; E413-P429 WeakPolarHBondContact OE2-CG 3.47Å; E413-K430 CarbonylContact C-O 3.58Å; E413-K430 VanDerWaalsContact CA-O 3.26Å; E413-K430 WeakPolarHBondContact CA-O 3.32Å; E413-T432 VanDerWaalsContact C-OG1 3.3Å
414	Y	96.9	Very high	96.3	Very high	4 Å²	4	52 Å²	52	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	156.3	167.1	85.2	-74.8	0	0	0	112.4	L407 F408 F409 Y428 P429 K430 E435 F436	L407-Y414 HydrophobicContact CB-CD2 4.45Å; L407-Y414 HydrophobicContact CD1-CD2 4.41Å; L407-Y414 HydrophobicContact CD1-CE2 4.36Å; L407-Y414 HydrophobicContact CD2-CD2 4.14Å; L407-Y414 HydrophobicContact CD2-CE2 4.01Å; F408-Y414 CarbonylContact O-C 3.56Å; F408-Y414 WeakPolarHBondContact O-CA 3.49Å; F409-Y414 VanDerWaalsContact CD1-CB 3.46Å; F409-Y414 HydrophobicContact CD1-CG 4.43Å; F409-Y414 HydrophobicContact CE1-CD2 4.49Å; F409-Y414 HydrophobicContact CE1-CG 4.12Å; Y414-Y428 AromaticContact CD2-CE1 3.99Å; Y414-Y428 HydrophobicContact CD2-CE1 3.99Å; Y414-Y428 HydrophobicContact CE1-CE1 4.28Å; Y414-Y428 HydrophobicContact CE2-CD1 4.39Å; Y414-Y428 AromaticContact CE2-CE1 3.43Å; Y414-Y428 HydrophobicContact CE2-CE1 3.43Å; Y414-Y428 VanDerWaalsContact CE2-CE1 3.43Å; Y414-Y428 AromaticContact CZ-CE1 3.57Å; Y414-Y428 WeakPolarHBondContact O-CD1 3.15Å; Y414-Y428 PolarHBondContact OH-OH 3.2Å; Y414-P429 VanDerWaalsContact O-CA 3.27Å; Y414-P429 WeakPolarHBondContact O-CA 3.25Å; Y414-K430 HydrophobicContact CD1-CB 3.95Å; Y414-K430 WeakPolarHBondContact CD1-O 3.32Å; Y414-K430 HydrophobicContact CE1-CB 3.43Å; Y414-K430 VanDerWaalsContact CE1-CB 3.43Å; Y414-K430 HydrophobicContact CE1-CD 4.01Å; Y414-K430 HydrophobicContact CE1-CG 4.4Å; Y414-K430 PolarHBondContact N-O 2.82Å; Y414-K430 PolarHBondContact O-N 3Å; Y414-K430 WeakPolarHBondContact OH-CD 3.49Å; Y414-E435 HydrophobicContact CE1-CB 3.8Å; Y414-E435 HydrophobicContact CE1-CG 4.03Å; Y414-E435 VanDerWaalsContact OH-CG 3.27Å; Y414-E435 WeakPolarHBondContact OH-CG 3.19Å; Y414-E435 PolarHBondContact OH-OE1 2.95Å; Y414-F436 AromaticContact CD1-CE2 3.95Å; Y414-F436 HydrophobicContact CD1-CE2 3.95Å; Y414-F436 HydrophobicContact CD2-CE2 4.09Å; Y414-F436 HydrophobicContact CD2-CZ 4.49Å; Y414-F436 AromaticContact CE1-CE2 3.88Å; Y414-F436 HydrophobicContact CE1-CE2 3.88Å; Y414-F436 AromaticContact CE2-CE2 3.99Å; Y414-F436 HydrophobicContact CE2-CE2 3.99Å; Y414-F436 HydrophobicContact CE2-CZ 4.17Å; Y414-F436 HydrophobicContact CG-CE2 4.07Å; Y414-F436 AromaticContact CZ-CE2 3.92Å
415	Y	98.3	Very high	96.4	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145	178.9	-64.4	-105.7	0	0	0	109.2	F387 L407 F408 V410 M424 P429	F387-Y415 HydrophobicContact CD1-CD1 4.19Å; F387-Y415 HydrophobicContact CD1-CD2 4.33Å; F387-Y415 HydrophobicContact CD1-CE1 4.22Å; F387-Y415 HydrophobicContact CD1-CE2 4.39Å; F387-Y415 HydrophobicContact CD1-CG 4.26Å; F387-Y415 HydrophobicContact CE1-CD1 4.03Å; F387-Y415 AromaticContact CE1-CD2 3.66Å; F387-Y415 HydrophobicContact CE1-CD2 3.66Å; F387-Y415 HydrophobicContact CE1-CE1 4.4Å; F387-Y415 HydrophobicContact CE1-CE2 4.09Å; F387-Y415 AromaticContact CE1-CG 3.64Å; F387-Y415 HydrophobicContact CE1-CG 3.64Å; F387-Y415 HydrophobicContact CZ-CG 4.49Å; L407-Y415 CarbonylContact C-O 3.47Å; L407-Y415 WeakPolarHBondContact CA-O 3.24Å; F408-Y415 PolarHBondContact N-O 2.99Å; F408-Y415 PolarHBondContact O-N 3.15Å; V410-Y415 HydrophobicContact CB-CE2 4.2Å; V410-Y415 HydrophobicContact CG2-CD2 4.17Å; V410-Y415 HydrophobicContact CG2-CE2 4.03Å; Y415-M424 HydrophobicContact CD1-CE 4.3Å; Y415-M424 HydrophobicContact CD1-CG 4.48Å; Y415-M424 HydrophobicContact CD1-SD 4.31Å; Y415-M424 HydrophobicContact CG-CE 4.49Å; Y415-M424 HydrophobicContact CG-SD 4.49Å; Y415-P429 HydrophobicContact CD1-CB 4.32Å; Y415-P429 HydrophobicContact CD2-CB 4.24Å; Y415-P429 HydrophobicContact CE1-CB 3.92Å; Y415-P429 HydrophobicContact CE1-CG 4.08Å; Y415-P429 HydrophobicContact CE2-CB 3.8Å; Y415-P429 HydrophobicContact CE2-CG 4.43Å; Y415-P429 HydrophobicContact CG-CB 4.46Å
416	S	98	Very high	96.2	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.2	174.3	176	0	0	0	0	111.4	E425 Y428	S416-E425 WeakPolarHBondContact CB-OE2 3.41Å; S416-E425 WeakPolarHBondContact O-CB 3.26Å; S416-E425 PolarHBondContact O-N 3.03Å; S416-E425 PolarHBondContact OG-OE2 2.87Å; S416-Y428 WeakPolarHBondContact CB-OH 3.24Å
417	Y	98.3	Very high	95.8	Very high	17 Å²	17	63.2 Å²	63.2	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.5	178.9	-176.8	-97.4	0	0	0	110.6	F385 K405 T406 F408 E419 R422 K423 M424	F385-Y417 HydrophobicContact CB-CD2 4.11Å; F385-Y417 HydrophobicContact CB-CE2 4.04Å; F385-Y417 HydrophobicContact CD1-CD1 4.07Å; F385-Y417 AromaticContact CD1-CD2 3.9Å; F385-Y417 HydrophobicContact CD1-CD2 3.9Å; F385-Y417 AromaticContact CD1-CE1 3.85Å; F385-Y417 HydrophobicContact CD1-CE1 3.85Å; F385-Y417 AromaticContact CD1-CE2 3.68Å; F385-Y417 HydrophobicContact CD1-CE2 3.68Å; F385-Y417 HydrophobicContact CD1-CG 4.08Å; F385-Y417 AromaticContact CD1-CZ 3.63Å; F385-Y417 HydrophobicContact CE1-CD1 4.45Å; F385-Y417 HydrophobicContact CE1-CE1 4.13Å; F385-Y417 HydrophobicContact CG-CE2 4.34Å; F385-Y417 WeakPolarHBondContact O-CD2 3.47Å; F385-Y417 WeakPolarHBondContact O-CE2 3.35Å; K405-Y417 WeakPolarHBondContact CA-O 3.49Å; T406-Y417 PolarHBondContact N-O 3.17Å; T406-Y417 PolarHBondContact O-N 2.75Å; F408-Y417 HydrophobicContact CE2-CG 4.19Å; Y417-E419 HydrophobicContact CD1-CG 4.15Å; Y417-E419 HydrophobicContact CE1-CG 4.44Å; Y417-E419 PolarHBondContact O-N 3.46Å; Y417-R422 WeakPolarHBondContact OH-CA 3.12Å; Y417-R422 WeakPolarHBondContact OH-CB 3.46Å; Y417-R422 PolarHBondContact OH-O 2.91Å; Y417-R422 VanDerWaalsContact OH-O 3.12Å; Y417-K423 VanDerWaalsContact CD2-C 3.42Å; Y417-K423 VanDerWaalsContact CE2-N 3.35Å; Y417-M424 HydrophobicContact CD2-SD 4.43Å
418	D	97.2	Very high	95.6	Very high	16 Å²	16	65 Å²	65	9%	0.086	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	105.4	176.1	-176.5	-38.3	0	0	0	108.8	R420 K421 R422 K423	D418-R420 PolarHBondContact O-N 2.7Å; D418-R420 WeakPolarHBondContact OD1-CA 3.43Å; D418-R420 VanDerWaalsContact OD1-CB 3.32Å; D418-R420 WeakPolarHBondContact OD1-CB 3.47Å; D418-R420 PolarHBondContact OD1-N 2.99Å; D418-K421 HydrophobicContact CB-CB 4.18Å; D418-K421 PolarHBondContact O-N 2.93Å; D418-K421 PolarHBondContact OD1-N 3.08Å; D418-K421 VanDerWaalsContact OD2-CD 3.24Å; D418-K421 WeakPolarHBondContact OD2-CD 3.41Å; D418-K421 VanDerWaalsContact OD2-CE 3.24Å; D418-K421 WeakPolarHBondContact OD2-CE 3.26Å; D418-K421 WeakPolarHBondContact OD2-CG 3.44Å; D418-K421 IonicContact OD2-NZ 2.81Å; D418-K421 PolarHBondContact OD2-NZ 3.09Å; D418-R422 VanDerWaalsContact O-CA 3.29Å; D418-R422 WeakPolarHBondContact O-CA 3.3Å; D418-R422 PolarHBondContact O-N 3.37Å; D418-K423 PolarHBondContact N-O 3.01Å; D418-K423 PolarHBondContact O-N 2.96Å
419	E	95.8	Very high	95.5	Very high	3 Å²	3	67.3 Å²	67.3	1%	0.014	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.1	-177.3	-77.5	-72.8	173.8	0	0	112.4	Y351 V353 R356 Y399 Q404 T406 Y417	Y351-E419 PolarHBondContact OH-OE1 2.81Å; V353-E419 HydrophobicContact CG2-CG 4.45Å; R356-E419 IonicContact CZ-OE2 2.85Å; R356-E419 IonicContact NH1-OE2 3.06Å; R356-E419 PolarHBondContact NH1-OE2 2.81Å; R356-E419 PolarHBondContact NH2-O 3.31Å; R356-E419 IonicContact NH2-OE2 3.22Å; Y399-E419 HydrophobicContact CD2-CG 4.1Å; Y399-E419 HydrophobicContact CE2-CB 4.31Å; Y399-E419 HydrophobicContact CE2-CG 3.88Å; Q404-E419 WeakPolarHBondContact O-CB 3.47Å; Q404-E419 PolarHBondContact O-N 3.08Å; T406-E419 WeakPolarHBondContact OG1-CG 2.98Å; T406-E419 PolarHBondContact OG1-OE1 3.34Å; Y417-E419 HydrophobicContact CD1-CG 4.15Å; Y417-E419 HydrophobicContact CE1-CG 4.44Å; Y417-E419 PolarHBondContact O-N 3.46Å
420	R	94.2	Very high	95.4	Very high	188 Å²	188	70.7 Å²	70.7	71%	0.709	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-47	177.3	-66	178.7	58.2	177.9	-3.5	111.1	Q404 D418 R422	Q404-R420 HydrophobicContact CB-CG 4.21Å; Q404-R420 VanDerWaalsContact OE1-CD 3.23Å; D418-R420 PolarHBondContact O-N 2.7Å; D418-R420 WeakPolarHBondContact OD1-CA 3.43Å; D418-R420 VanDerWaalsContact OD1-CB 3.32Å; D418-R420 WeakPolarHBondContact OD1-CB 3.47Å; D418-R420 PolarHBondContact OD1-N 2.99Å; R420-R422 VanDerWaalsContact C-N 3.29Å
421	K	95.6	Very high	95.2	Very high	156 Å²	156	71.7 Å²	71.7	68%	0.678	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.1	178.3	-62.5	179.9	-164.4	127.3	0	112.6	D418 K423	D418-K421 HydrophobicContact CB-CB 4.18Å; D418-K421 PolarHBondContact O-N 2.93Å; D418-K421 PolarHBondContact OD1-N 3.08Å; D418-K421 VanDerWaalsContact OD2-CD 3.24Å; D418-K421 WeakPolarHBondContact OD2-CD 3.41Å; D418-K421 VanDerWaalsContact OD2-CE 3.24Å; D418-K421 WeakPolarHBondContact OD2-CE 3.26Å; D418-K421 WeakPolarHBondContact OD2-CG 3.44Å; D418-K421 IonicContact OD2-NZ 2.81Å; D418-K421 PolarHBondContact OD2-NZ 3.09Å; K421-K423 VanDerWaalsContact C-N 3.31Å; K421-K423 HydrophobicContact CB-CB 4.42Å; K421-K423 PolarHBondContact O-N 3.4Å
422	R	94.9	Very high	95.3	Very high	168 Å²	168	70.7 Å²	70.7	63%	0.634	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	47.8	-173.9	-65.1	-175.8	172.3	-178.5	-1.3	112	Y417 D418 R420	Y417-R422 WeakPolarHBondContact OH-CA 3.12Å; Y417-R422 WeakPolarHBondContact OH-CB 3.46Å; Y417-R422 PolarHBondContact OH-O 2.91Å; Y417-R422 VanDerWaalsContact OH-O 3.12Å; D418-R422 VanDerWaalsContact O-CA 3.29Å; D418-R422 WeakPolarHBondContact O-CA 3.3Å; D418-R422 PolarHBondContact O-N 3.37Å; R420-R422 VanDerWaalsContact C-N 3.29Å
423	K	96.6	Very high	95.1	Very high	130 Å²	130	71.3 Å²	71.3	57%	0.565	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.2	141.7	-174.1	-165.9	176.7	177.6	172.4	0	111.5	Y417 D418 K421	Y417-K423 VanDerWaalsContact CD2-C 3.42Å; Y417-K423 VanDerWaalsContact CE2-N 3.35Å; D418-K423 PolarHBondContact N-O 3.01Å; D418-K423 PolarHBondContact O-N 2.96Å; K421-K423 VanDerWaalsContact C-N 3.31Å; K421-K423 HydrophobicContact CB-CB 4.42Å; K421-K423 PolarHBondContact O-N 3.4Å
424	M	97.6	Very high	94.8	Very high	24 Å²	24	75.6 Å²	75.6	12%	0.118	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	136.6	168.5	-157.5	63.7	79.8	0	0	110.8	F385 F387 F408 Y415 Y417	F385-M424 HydrophobicContact CB-CE 4.3Å; F387-M424 HydrophobicContact CD1-CE 4.11Å; F387-M424 HydrophobicContact CD2-CE 3.91Å; F387-M424 HydrophobicContact CE1-CE 3.89Å; F387-M424 HydrophobicContact CE2-CE 3.69Å; F387-M424 HydrophobicContact CG-CE 4.13Å; F387-M424 HydrophobicContact CZ-CE 3.68Å; F408-M424 HydrophobicContact CD2-CE 4.38Å; Y415-M424 HydrophobicContact CD1-CE 4.3Å; Y415-M424 HydrophobicContact CD1-CG 4.48Å; Y415-M424 HydrophobicContact CD1-SD 4.31Å; Y415-M424 HydrophobicContact CG-CE 4.49Å; Y415-M424 HydrophobicContact CG-SD 4.49Å; Y417-M424 HydrophobicContact CD2-SD 4.43Å
425	E	96.8	Very high	94.5	Very high	47 Å²	47	79.5 Å²	79.5	22%	0.22	36%	0.357	C	S	.	.			trans	-67.4	148.6	172.1	-67.8	-166.2	120.1	0	0	110.5	K405 S416 Y428	K405-E425 WeakPolarHBondContact CE-OE1 3.48Å; K405-E425 IonicContact NZ-OE1 3.15Å; K405-E425 PolarHBondContact NZ-OE1 3.31Å; K405-E425 IonicContact NZ-OE2 2.81Å; K405-E425 PolarHBondContact NZ-OE2 2.9Å; S416-E425 WeakPolarHBondContact CB-OE2 3.41Å; S416-E425 WeakPolarHBondContact O-CB 3.26Å; S416-E425 PolarHBondContact O-N 3.03Å; S416-E425 PolarHBondContact OG-OE2 2.87Å; E425-Y428 HydrophobicContact CB-CD2 3.51Å; E425-Y428 HydrophobicContact CB-CE2 3.69Å; E425-Y428 HydrophobicContact CG-CE2 4.48Å
426	K	91.2	Very high	94.2	Very high	181 Å²	181	79.8 Å²	79.8	79%	0.787	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-26.3	-169	-70.7	-175.5	178.2	-179	0	113.9	Y428	K426-Y428 PolarHBondContact O-N 2.86Å
427	D	91.4	Very high	93.8	Very high	138 Å²	138	82.6 Å²	82.6	74%	0.738	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	30.7	-170.9	-51.3	-38.9	0	0	0	111.9
428	Y	94.4	Very high	93.1	Very high	46 Å²	46	83.5 Å²	83.5	18%	0.18	39%	0.392	C	S	.	.			trans	-127.2	151.1	-175.3	-75.6	-87.3	0	0	0	111.1	Y414 S416 E425 K426 K430	Y414-Y428 AromaticContact CD2-CE1 3.99Å; Y414-Y428 HydrophobicContact CD2-CE1 3.99Å; Y414-Y428 HydrophobicContact CE1-CE1 4.28Å; Y414-Y428 HydrophobicContact CE2-CD1 4.39Å; Y414-Y428 AromaticContact CE2-CE1 3.43Å; Y414-Y428 HydrophobicContact CE2-CE1 3.43Å; Y414-Y428 VanDerWaalsContact CE2-CE1 3.43Å; Y414-Y428 AromaticContact CZ-CE1 3.57Å; Y414-Y428 WeakPolarHBondContact O-CD1 3.15Å; Y414-Y428 PolarHBondContact OH-OH 3.2Å; S416-Y428 WeakPolarHBondContact CB-OH 3.24Å; E425-Y428 HydrophobicContact CB-CD2 3.51Å; E425-Y428 HydrophobicContact CB-CE2 3.69Å; E425-Y428 HydrophobicContact CG-CE2 4.48Å; K426-Y428 PolarHBondContact O-N 2.86Å; Y428-K430 HydrophobicContact CD1-CB 4.33Å; Y428-K430 HydrophobicContact CD1-CD 4.39Å; Y428-K430 HydrophobicContact CD1-CG 4.14Å; Y428-K430 HydrophobicContact CE1-CB 4.35Å; Y428-K430 HydrophobicContact CE1-CD 3.85Å; Y428-K430 HydrophobicContact CE1-CG 4.1Å
429	P	96.1	Very high	92.7	Very high	49 Å²	49	83 Å²	83	32%	0.318	39%	0.39	S	S	.	.			cis	-74.4	162.2	8.5	28.2	-33.4	0	0	0	115.3	E413 Y414 Y415	E413-P429 HydrophobicContact CB-CB 3.84Å; E413-P429 HydrophobicContact CG-CB 4.12Å; E413-P429 WeakPolarHBondContact OE1-CG 3.29Å; E413-P429 WeakPolarHBondContact OE2-CG 3.47Å; Y414-P429 VanDerWaalsContact O-CA 3.27Å; Y414-P429 WeakPolarHBondContact O-CA 3.25Å; Y415-P429 HydrophobicContact CD1-CB 4.32Å; Y415-P429 HydrophobicContact CD2-CB 4.24Å; Y415-P429 HydrophobicContact CE1-CB 3.92Å; Y415-P429 HydrophobicContact CE1-CG 4.08Å; Y415-P429 HydrophobicContact CE2-CB 3.8Å; Y415-P429 HydrophobicContact CE2-CG 4.43Å; Y415-P429 HydrophobicContact CG-CB 4.46Å
430	K	94.7	Very high	92	Very high	72 Å²	72	87.8 Å²	87.8	31%	0.313	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	156.3	170	-77.1	-179.9	165	-161.7	0	110.2	E413 Y414 Y428 E435	E413-K430 CarbonylContact C-O 3.58Å; E413-K430 VanDerWaalsContact CA-O 3.26Å; E413-K430 WeakPolarHBondContact CA-O 3.32Å; Y414-K430 HydrophobicContact CD1-CB 3.95Å; Y414-K430 WeakPolarHBondContact CD1-O 3.32Å; Y414-K430 HydrophobicContact CE1-CB 3.43Å; Y414-K430 VanDerWaalsContact CE1-CB 3.43Å; Y414-K430 HydrophobicContact CE1-CD 4.01Å; Y414-K430 HydrophobicContact CE1-CG 4.4Å; Y414-K430 PolarHBondContact N-O 2.82Å; Y414-K430 PolarHBondContact O-N 3Å; Y414-K430 WeakPolarHBondContact OH-CD 3.49Å; Y428-K430 HydrophobicContact CD1-CB 4.33Å; Y428-K430 HydrophobicContact CD1-CD 4.39Å; Y428-K430 HydrophobicContact CD1-CG 4.14Å; Y428-K430 HydrophobicContact CE1-CB 4.35Å; Y428-K430 HydrophobicContact CE1-CD 3.85Å; Y428-K430 HydrophobicContact CE1-CG 4.1Å; K430-E435 IonicContact NZ-OE1 3.97Å; K430-E435 PolarHBondContact NZ-OE1 3.04Å; K430-E435 VanDerWaalsContact NZ-OE1 3.15Å; K430-E435 IonicContact NZ-OE2 3.31Å; K430-E435 PolarHBondContact NZ-OE2 3.4Å
431	N	93.9	Very high	91.5	Very high	47 Å²	47	80.7 Å²	80.7	25%	0.251	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	133.7	174.4	-173.4	-76.2	0	0	0	110.9	E433 E434 E435	N431-E433 PolarHBondContact OD1-N 2.94Å; N431-E434 HydrophobicContact CB-CB 4.13Å; N431-E434 HydrophobicContact CB-CG 3.95Å; N431-E434 PolarHBondContact OD1-N 2.84Å; N431-E434 VanDerWaalsContact OD1-N 3.1Å; N431-E435 PolarHBondContact O-N 3.49Å
432	T	92.4	Very high	91.3	Very high	11 Å²	11	78.1 Å²	78.1	7%	0.067	39%	0.391	C	S	.	.	H	α-helix	trans	-73.2	-43.2	-176	-57.6	0	0	0	0	112.1	F409 D412 E413 E434 E435 F436 I443	F409-T432 HydrophobicContact CD1-CG2 3.99Å; F409-T432 HydrophobicContact CE1-CG2 4.04Å; D412-T432 VanDerWaalsContact O-CB 3.31Å; D412-T432 WeakPolarHBondContact O-CB 3.41Å; D412-T432 PolarHBondContact O-N 3.43Å; D412-T432 PolarHBondContact O-OG1 2.98Å; E413-T432 VanDerWaalsContact C-OG1 3.3Å; T432-E434 VanDerWaalsContact C-N 3.31Å; T432-E434 PolarHBondContact O-N 3.3Å; T432-E435 PolarHBondContact O-N 2.85Å; T432-F436 HydrophobicContact CG2-CD2 3.94Å; T432-F436 WeakPolarHBondContact O-CB 3.36Å; T432-F436 WeakPolarHBondContact O-CD2 3.28Å; T432-F436 PolarHBondContact O-N 2.98Å; T432-I443 HydrophobicContact CG2-CD1 3.46Å; T432-I443 VanDerWaalsContact CG2-CD1 3.46Å; T432-I443 HydrophobicContact CG2-CG1 4.39Å
433	E	87.9	Confident	91.3	Very high	122 Å²	122	70.3 Å²	70.3	57%	0.57	36%	0.362	S	S	*	.	H	α-helix	trans	-70.1	-29.8	-177.5	-64.7	-171.2	164.4	0	0	112	N431	N431-E433 PolarHBondContact OD1-N 2.94Å
434	E	88.9	Confident	91.2	Very high	161 Å²	161	66.2 Å²	66.2	75%	0.752	35%	0.347	S	S	*	.	H	α-helix	trans	-70.4	-37.9	174.9	-68.2	179.8	-179.3	0	0	112.7	N431 T432	N431-E434 HydrophobicContact CB-CB 4.13Å; N431-E434 HydrophobicContact CB-CG 3.95Å; N431-E434 PolarHBondContact OD1-N 2.84Å; N431-E434 VanDerWaalsContact OD1-N 3.1Å; T432-E434 VanDerWaalsContact C-N 3.31Å; T432-E434 PolarHBondContact O-N 3.3Å
435	E	91.3	Very high	91.2	Very high	86 Å²	86	65.1 Å²	65.1	40%	0.402	34%	0.342	S	S	.	.	H	α-helix	trans	-89.5	-33	-177.3	-166.6	97.7	168.9	0	0	112.7	Y414 K430 N431 T432 Y464	Y414-E435 HydrophobicContact CE1-CB 3.8Å; Y414-E435 HydrophobicContact CE1-CG 4.03Å; Y414-E435 VanDerWaalsContact OH-CG 3.27Å; Y414-E435 WeakPolarHBondContact OH-CG 3.19Å; Y414-E435 PolarHBondContact OH-OE1 2.95Å; K430-E435 IonicContact NZ-OE1 3.97Å; K430-E435 PolarHBondContact NZ-OE1 3.04Å; K430-E435 VanDerWaalsContact NZ-OE1 3.15Å; K430-E435 IonicContact NZ-OE2 3.31Å; K430-E435 PolarHBondContact NZ-OE2 3.4Å; N431-E435 PolarHBondContact O-N 3.49Å; T432-E435 PolarHBondContact O-N 2.85Å; E435-Y464 PolarHBondContact O-OH 3.14Å
436	F	92.1	Very high	91.3	Very high	13 Å²	13	63 Å²	63	6%	0.057	33%	0.332	C	S	.	.	S	Bend	trans	-109.6	75.8	-176.8	-61.6	-77.5	0	0	0	111.4	L407 F409 Y414 T432 G438 V439 I453 F455 Y464	L407-F436 HydrophobicContact CD1-CE1 4.46Å; L407-F436 HydrophobicContact CD1-CZ 3.75Å; F409-F436 HydrophobicContact CE1-CD2 4.19Å; F409-F436 AromaticContact CE1-CE2 3.78Å; F409-F436 HydrophobicContact CE1-CE2 3.78Å; F409-F436 HydrophobicContact CE1-CZ 4.41Å; F409-F436 HydrophobicContact CZ-CE2 4.16Å; F409-F436 HydrophobicContact CZ-CZ 4.34Å; Y414-F436 AromaticContact CD1-CE2 3.95Å; Y414-F436 HydrophobicContact CD1-CE2 3.95Å; Y414-F436 HydrophobicContact CD2-CE2 4.09Å; Y414-F436 HydrophobicContact CD2-CZ 4.49Å; Y414-F436 AromaticContact CE1-CE2 3.88Å; Y414-F436 HydrophobicContact CE1-CE2 3.88Å; Y414-F436 AromaticContact CE2-CE2 3.99Å; Y414-F436 HydrophobicContact CE2-CE2 3.99Å; Y414-F436 HydrophobicContact CE2-CZ 4.17Å; Y414-F436 HydrophobicContact CG-CE2 4.07Å; Y414-F436 AromaticContact CZ-CE2 3.92Å; T432-F436 HydrophobicContact CG2-CD2 3.94Å; T432-F436 WeakPolarHBondContact O-CB 3.36Å; T432-F436 WeakPolarHBondContact O-CD2 3.28Å; T432-F436 PolarHBondContact O-N 2.98Å; F436-G438 PolarHBondContact O-N 2.99Å; F436-V439 HydrophobicContact CB-CB 4.35Å; F436-V439 HydrophobicContact CB-CG2 4.06Å; F436-V439 PolarHBondContact O-N 3.29Å; F436-I453 HydrophobicContact CE1-CD1 4.48Å; F436-F455 AromaticContact CD1-CE2 3.81Å; F436-F455 HydrophobicContact CD1-CE2 3.81Å; F436-F455 AromaticContact CD1-CZ 3.67Å; F436-F455 HydrophobicContact CD1-CZ 3.67Å; F436-F455 HydrophobicContact CE1-CE2 4.35Å; F436-F455 AromaticContact CE1-CZ 3.82Å; F436-F455 HydrophobicContact CE1-CZ 3.82Å; F436-F455 HydrophobicContact CG-CE2 4.28Å; F436-F455 HydrophobicContact CG-CZ 4.11Å; F436-F455 HydrophobicContact CZ-CZ 4.38Å; F436-Y464 HydrophobicContact CB-CE2 4.28Å; F436-Y464 HydrophobicContact CD1-CD1 4.2Å; F436-Y464 AromaticContact CD1-CE1 3.77Å; F436-Y464 HydrophobicContact CD1-CE1 3.77Å; F436-Y464 HydrophobicContact CD1-CE2 4.3Å; F436-Y464 AromaticContact CD1-CZ 3.82Å; F436-Y464 HydrophobicContact CE1-CE1 4.26Å
437	S	88.4	Confident	91.5	Very high	60 Å²	60	54.7 Å²	54.7	42%	0.42	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	136	-179.3	-71.6	0	0	0	0	112.3	V439 Y464	S437-V439 VanDerWaalsContact C-N 3.28Å; S437-V439 PolarHBondContact O-N 2.78Å; S437-Y464 WeakPolarHBondContact O-CE2 3.11Å
438	G	84.1	Confident	91.6	Very high	35 Å²	35	50.4 Å²	50.4	36%	0.361	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	-9	178.2	0	0	0	0	0	115.6	F436 N440 V471	F436-G438 PolarHBondContact O-N 2.99Å; G438-N440 PolarHBondContact O-N 2.98Å; G438-V471 VanDerWaalsContact C-CG2 3.41Å; G438-V471 WeakPolarHBondContact O-CG2 3.33Å
439	V	88.7	Confident	91.4	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.03	27%	0.268	C	S	.	.			trans	-84.7	102.8	173	-175.8	0	0	0	0	109	F436 S437 I443 F455 Y462 Y464 V471	F436-V439 HydrophobicContact CB-CB 4.35Å; F436-V439 HydrophobicContact CB-CG2 4.06Å; F436-V439 PolarHBondContact O-N 3.29Å; S437-V439 VanDerWaalsContact C-N 3.28Å; S437-V439 PolarHBondContact O-N 2.78Å; V439-I443 HydrophobicContact CG1-CD1 4.29Å; V439-I443 HydrophobicContact CG1-CG1 4.17Å; V439-F455 HydrophobicContact CG1-CB 4.02Å; V439-F455 HydrophobicContact CG1-CD2 4.31Å; V439-F455 HydrophobicContact CG1-CG 4.24Å; V439-F455 HydrophobicContact CG2-CD2 3.56Å; V439-F455 HydrophobicContact CG2-CE2 4.03Å; V439-F455 HydrophobicContact CG2-CG 4.31Å; V439-Y462 HydrophobicContact CG1-CD2 4.18Å; V439-Y464 HydrophobicContact CG2-CD2 4.07Å; V439-V471 HydrophobicContact CG2-CG2 3.77Å
440	N	81.6	Confident	90.9	Very high	105 Å²	105	53.5 Å²	53.5	56%	0.561	29%	0.289	S	S	*	.			trans	-97.4	129.7	-178.4	-64.9	-42.9	0	0	0	111.7	G438 Y462	G438-N440 PolarHBondContact O-N 2.98Å; N440-Y462 PolarHBondContact O-OH 3.33Å
441	G	84.2	Confident	90.5	Very high	39 Å²	39	52.4 Å²	52.4	40%	0.402	30%	0.298	S	S	.	.	S	Bend	trans	95.1	176.9	175.7	0	0	0	0	0	113.9
442	Q	89.8	Confident	90.5	Very high	101 Å²	101	53.4 Å²	53.4	47%	0.472	30%	0.298	S	S	.	.			trans	-69.4	135.3	-179.9	-170.9	173.9	17	0	0	110.9	D395 D444 S457	D395-Q442 PolarHBondContact OD2-NE2 3.21Å; Q442-D444 PolarHBondContact O-N 3.46Å; Q442-S457 WeakPolarHBondContact O-CA 3.44Å; Q442-S457 WeakPolarHBondContact O-CB 3.4Å; Q442-S457 PolarHBondContact O-OG 2.91Å
443	I	95.8	Very high	90.6	Very high	4 Å²	4	53 Å²	53	2%	0.021	30%	0.296	C	S	.	.			trans	-81.6	110.5	178.6	-60	173.3	0	0	0	108.9	A396 F409 T432 V439 A445 A446 F455	A396-I443 HydrophobicContact CB-CG2 3.62Å; F409-I443 HydrophobicContact CD1-CD1 3.57Å; F409-I443 HydrophobicContact CD2-CG2 4.46Å; F409-I443 HydrophobicContact CE1-CD1 3.64Å; F409-I443 HydrophobicContact CG-CB 4.48Å; F409-I443 HydrophobicContact CG-CD1 4.13Å; F409-I443 HydrophobicContact CG-CG2 4.44Å; F409-I443 HydrophobicContact CZ-CD1 4.26Å; T432-I443 HydrophobicContact CG2-CD1 3.46Å; T432-I443 VanDerWaalsContact CG2-CD1 3.46Å; T432-I443 HydrophobicContact CG2-CG1 4.39Å; V439-I443 HydrophobicContact CG1-CD1 4.29Å; V439-I443 HydrophobicContact CG1-CG1 4.17Å; I443-A445 WeakPolarHBondContact CG2-O 3.41Å; I443-A446 HydrophobicContact CG2-CB 4.41Å; I443-F455 HydrophobicContact CD1-CD1 3.63Å; I443-F455 HydrophobicContact CD1-CE1 3.88Å; I443-F455 HydrophobicContact CD1-CG 4.24Å; I443-F455 HydrophobicContact CG1-CD1 4.27Å; I443-F455 HydrophobicContact CG2-CD1 3.9Å
444	D	94.6	Very high	91	Very high	45 Å²	45	48.7 Å²	48.7	24%	0.241	28%	0.275	C	S	.	.			trans	-84.4	-26.8	178	-61.4	-42.4	0	0	0	112.7	F302 D395 Q442 F456 G458	F302-D444 WeakPolarHBondContact O-CB 3.23Å; D395-D444 CarbonylContact O-C 3.51Å; Q442-D444 PolarHBondContact O-N 3.46Å; D444-F456 PolarHBondContact N-O 2.83Å; D444-G458 WeakPolarHBondContact OD2-CA 3.34Å; D444-G458 PolarHBondContact OD2-N 2.79Å
445	A	97.5	Very high	91.4	Very high	1 Å²	1	41 Å²	41	1%	0.008	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	158.1	176.6	0	0	0	0	0	110.9	V305 I443 F456	V305-A445 HydrophobicContact CB-CB 4.06Å; V305-A445 HydrophobicContact CG2-CB 3.79Å; I443-A445 WeakPolarHBondContact CG2-O 3.41Å; A445-F456 HydrophobicContact CB-CB 4.02Å; A445-F456 HydrophobicContact CB-CD2 4.06Å; A445-F456 HydrophobicContact CB-CG 4.26Å; A445-F456 PolarHBondContact N-O 3.4Å; A445-F456 PolarHBondContact O-N 3.19Å
446	A	97.6	Very high	91.6	Very high	2 Å²	2	37 Å²	37	2%	0.017	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	143.8	176.3	0	0	0	0	0	111.1	V305 A396 A397 V398 F409 I443 Y454 F455	V305-A446 VanDerWaalsContact O-O 3.08Å; A396-A446 HydrophobicContact CB-CB 4.28Å; A397-A446 VanDerWaalsContact O-O 3.11Å; V398-A446 HydrophobicContact CB-CB 3.79Å; V398-A446 HydrophobicContact CG1-CB 4.05Å; F409-A446 HydrophobicContact CE2-CB 4.28Å; I443-A446 HydrophobicContact CG2-CB 4.41Å; A446-Y454 VanDerWaalsContact CA-O 3.32Å; A446-Y454 WeakPolarHBondContact CA-O 3.32Å; A446-F455 HydrophobicContact CB-CD1 3.91Å; A446-F455 HydrophobicContact CB-CE1 4.16Å
447	V	96.3	Very high	91.6	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	143.1	173.5	69.4	0	0	0	0	110.3	V305 M307 L312 L449 Y454 F456	V305-V447 HydrophobicContact CG1-CB 3.98Å; V305-V447 HydrophobicContact CG1-CG1 3.8Å; M307-V447 HydrophobicContact CG-CG2 4.1Å; L312-V447 HydrophobicContact CD1-CG1 4.34Å; L312-V447 HydrophobicContact CD1-CG2 4.09Å; V447-L449 HydrophobicContact CG1-CD1 4.11Å; V447-L449 HydrophobicContact CG1-CG 4.23Å; V447-L449 HydrophobicContact CG2-CD2 4.43Å; V447-L449 HydrophobicContact CG2-CG 4.34Å; V447-Y454 PolarHBondContact N-O 3.14Å; V447-Y454 VanDerWaalsContact N-O 3.12Å; V447-Y454 PolarHBondContact O-N 3.46Å; V447-F456 HydrophobicContact CG1-CE2 4.11Å
448	E	94.2	Very high	91.7	Very high	48 Å²	48	35.2 Å²	35.2	22%	0.224	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.3	172	-173.4	-77.1	127.1	0	0	109.4	V398 L400 N450 G451 Y452	V398-E448 HydrophobicContact CG2-CB 3.94Å; L400-E448 HydrophobicContact CD2-CB 4.4Å; L400-E448 HydrophobicContact CD2-CG 4.41Å; E448-N450 PolarHBondContact OE1-N 3.26Å; E448-G451 WeakPolarHBondContact OE1-CA 3.46Å; E448-G451 PolarHBondContact OE1-N 3.4Å; E448-Y452 WeakPolarHBondContact CA-O 3.28Å
449	L	90.1	Very high	92	Very high	20 Å²	20	36.4 Å²	36.4	11%	0.105	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	127.5	173.5	-59	168.6	0	0	0	110.8	M307 L312 V447 G451 Y452 Y454 W480	M307-L449 HydrophobicContact CG-CD2 3.93Å; M307-L449 HydrophobicContact SD-CD2 3.57Å; M307-L449 VanDerWaalsContact SD-CD2 3.57Å; L312-L449 HydrophobicContact CD1-CD1 4.37Å; V447-L449 HydrophobicContact CG1-CD1 4.11Å; V447-L449 HydrophobicContact CG1-CG 4.23Å; V447-L449 HydrophobicContact CG2-CD2 4.43Å; V447-L449 HydrophobicContact CG2-CG 4.34Å; L449-G451 VanDerWaalsContact C-N 3.25Å; L449-G451 PolarHBondContact O-N 3.19Å; L449-Y452 PolarHBondContact N-O 3.34Å; L449-Y452 PolarHBondContact O-N 3.05Å; L449-Y452 VanDerWaalsContact O-N 3.16Å; L449-Y454 HydrophobicContact CB-CD2 4.06Å; L449-Y454 HydrophobicContact CB-CE2 3.71Å; L449-Y454 HydrophobicContact CD1-CD2 4.3Å; L449-Y454 HydrophobicContact CD1-CE2 4.39Å; L449-Y454 HydrophobicContact CG-CD2 4.38Å; L449-Y454 HydrophobicContact CG-CE2 4.46Å; L449-Y454 WeakPolarHBondContact O-CE2 3.39Å; L449-W480 HydrophobicContact CD1-CH2 3.8Å; L449-W480 HydrophobicContact CD1-CZ3 3.52Å
450	N	85.9	Confident	92.2	Very high	139 Å²	139	41.2 Å²	41.2	74%	0.743	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	37.2	175.6	-55.2	-37.1	0	0	0	113.6	E448 Y452	E448-N450 PolarHBondContact OE1-N 3.26Å; N450-Y452 VanDerWaalsContact C-N 3.34Å; N450-Y452 VanDerWaalsContact O-CD2 3.29Å; N450-Y452 WeakPolarHBondContact O-CD2 3.4Å
451	G	86.1	Confident	92.8	Very high	49 Å²	49	36.2 Å²	36.2	51%	0.505	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	4.3	179.1	0	0	0	0	0	114.7	E448 L449	E448-G451 WeakPolarHBondContact OE1-CA 3.46Å; E448-G451 PolarHBondContact OE1-N 3.4Å; L449-G451 VanDerWaalsContact C-N 3.25Å; L449-G451 PolarHBondContact O-N 3.19Å
452	Y	92.2	Very high	93.3	Very high	68 Å²	68	34.8 Å²	34.8	27%	0.267	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.7	178.1	-61.6	-82.7	0	0	0	111	E448 L449 N450 K463 D465 V472	E448-Y452 WeakPolarHBondContact CA-O 3.28Å; L449-Y452 PolarHBondContact N-O 3.34Å; L449-Y452 PolarHBondContact O-N 3.05Å; L449-Y452 VanDerWaalsContact O-N 3.16Å; N450-Y452 VanDerWaalsContact C-N 3.34Å; N450-Y452 VanDerWaalsContact O-CD2 3.29Å; N450-Y452 WeakPolarHBondContact O-CD2 3.4Å; Y452-K463 HydrophobicContact CD1-CD 4.39Å; Y452-K463 HydrophobicContact CD1-CG 4.13Å; Y452-K463 HydrophobicContact CG-CD 4.31Å; Y452-K463 HydrophobicContact CG-CG 4.12Å; Y452-D465 HydrophobicContact CD1-CB 4Å; Y452-D465 HydrophobicContact CE1-CB 3.84Å; Y452-V472 HydrophobicContact CD1-CG2 4.45Å; Y452-V472 HydrophobicContact CE1-CG2 4.33Å
453	I	95.9	Very high	93.5	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.7	169.4	-50.6	172.8	0	0	0	108	V398 L400 F436 F455 Y464 T466	V398-I453 HydrophobicContact CG1-CG2 4.42Å; V398-I453 HydrophobicContact CG2-CG2 4.45Å; L400-I453 HydrophobicContact CD1-CD1 4.24Å; L400-I453 HydrophobicContact CD2-CD1 3.58Å; L400-I453 HydrophobicContact CD2-CG1 3.69Å; F436-I453 HydrophobicContact CE1-CD1 4.48Å; I453-F455 HydrophobicContact CB-CE2 4.05Å; I453-F455 HydrophobicContact CB-CZ 4.11Å; I453-F455 HydrophobicContact CD1-CZ 4.26Å; I453-F455 HydrophobicContact CG2-CD1 4.03Å; I453-F455 HydrophobicContact CG2-CD2 4.15Å; I453-F455 HydrophobicContact CG2-CE1 3.57Å; I453-F455 HydrophobicContact CG2-CE2 3.72Å; I453-F455 HydrophobicContact CG2-CG 4.32Å; I453-F455 HydrophobicContact CG2-CZ 3.42Å; I453-F455 VanDerWaalsContact CG2-CZ 3.42Å; I453-Y464 PolarHBondContact N-O 3.1Å; I453-Y464 VanDerWaalsContact N-O 3.1Å; I453-Y464 WeakPolarHBondContact O-CB 2.95Å; I453-Y464 PolarHBondContact O-N 3.29Å; I453-T466 HydrophobicContact CD1-CG2 3.57Å; I453-T466 HydrophobicContact CG1-CG2 3.98Å
454	Y	96.1	Very high	93.4	Very high	32 Å²	32	32.6 Å²	32.6	13%	0.125	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	108.7	173.7	-66.2	-91.8	0	0	0	109	A446 V447 L449 T461 Y462 K463 W480	A446-Y454 VanDerWaalsContact CA-O 3.32Å; A446-Y454 WeakPolarHBondContact CA-O 3.32Å; V447-Y454 PolarHBondContact N-O 3.14Å; V447-Y454 VanDerWaalsContact N-O 3.12Å; V447-Y454 PolarHBondContact O-N 3.46Å; L449-Y454 HydrophobicContact CB-CD2 4.06Å; L449-Y454 HydrophobicContact CB-CE2 3.71Å; L449-Y454 HydrophobicContact CD1-CD2 4.3Å; L449-Y454 HydrophobicContact CD1-CE2 4.39Å; L449-Y454 HydrophobicContact CG-CD2 4.38Å; L449-Y454 HydrophobicContact CG-CE2 4.46Å; L449-Y454 WeakPolarHBondContact O-CE2 3.39Å; Y454-T461 HydrophobicContact CD1-CG2 4.22Å; Y454-Y462 CarbonylContact C-O 3.46Å; Y454-Y462 WeakPolarHBondContact CA-O 3.48Å; Y454-K463 HydrophobicContact CD1-CB 3.96Å; Y454-K463 HydrophobicContact CD1-CG 4.15Å; Y454-K463 HydrophobicContact CE1-CB 3.72Å; Y454-K463 HydrophobicContact CE1-CD 3.88Å; Y454-K463 HydrophobicContact CE1-CG 3.57Å; Y454-K463 WeakPolarHBondContact OH-CE 3.33Å; Y454-W480 AromaticContact CD1-CH2 3.53Å; Y454-W480 HydrophobicContact CD1-CH2 3.53Å; Y454-W480 AromaticContact CD1-CZ2 3.3Å; Y454-W480 HydrophobicContact CD1-CZ2 3.3Å; Y454-W480 HydrophobicContact CD2-CH2 4.07Å; Y454-W480 AromaticContact CE1-CH2 3.77Å; Y454-W480 HydrophobicContact CE1-CH2 3.77Å; Y454-W480 AromaticContact CE1-CZ2 3.72Å; Y454-W480 HydrophobicContact CE1-CZ2 3.72Å; Y454-W480 HydrophobicContact CE2-CH2 4.35Å; Y454-W480 AromaticContact CG-CH2 3.64Å; Y454-W480 HydrophobicContact CG-CH2 3.64Å; Y454-W480 AromaticContact CG-CZ2 3.76Å; Y454-W480 HydrophobicContact CG-CZ2 3.76Å
455	F	97.1	Very high	93.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.8	176.3	-63.8	-67	0	0	0	110.4	F409 F436 V439 I443 A446 I453 T461 Y462 Y464	F409-F455 HydrophobicContact CE1-CE1 4.12Å; F409-F455 AromaticContact CE2-CE1 3.91Å; F409-F455 HydrophobicContact CE2-CE1 3.91Å; F409-F455 HydrophobicContact CZ-CD1 4.48Å; F409-F455 AromaticContact CZ-CE1 3.48Å; F409-F455 HydrophobicContact CZ-CE1 3.48Å; F409-F455 VanDerWaalsContact CZ-CE1 3.48Å; F409-F455 HydrophobicContact CZ-CZ 4.09Å; F436-F455 AromaticContact CD1-CE2 3.81Å; F436-F455 HydrophobicContact CD1-CE2 3.81Å; F436-F455 AromaticContact CD1-CZ 3.67Å; F436-F455 HydrophobicContact CD1-CZ 3.67Å; F436-F455 HydrophobicContact CE1-CE2 4.35Å; F436-F455 AromaticContact CE1-CZ 3.82Å; F436-F455 HydrophobicContact CE1-CZ 3.82Å; F436-F455 HydrophobicContact CG-CE2 4.28Å; F436-F455 HydrophobicContact CG-CZ 4.11Å; F436-F455 HydrophobicContact CZ-CZ 4.38Å; V439-F455 HydrophobicContact CG1-CB 4.02Å; V439-F455 HydrophobicContact CG1-CD2 4.31Å; V439-F455 HydrophobicContact CG1-CG 4.24Å; V439-F455 HydrophobicContact CG2-CD2 3.56Å; V439-F455 HydrophobicContact CG2-CE2 4.03Å; V439-F455 HydrophobicContact CG2-CG 4.31Å; I443-F455 HydrophobicContact CD1-CD1 3.63Å; I443-F455 HydrophobicContact CD1-CE1 3.88Å; I443-F455 HydrophobicContact CD1-CG 4.24Å; I443-F455 HydrophobicContact CG1-CD1 4.27Å; I443-F455 HydrophobicContact CG2-CD1 3.9Å; A446-F455 HydrophobicContact CB-CD1 3.91Å; A446-F455 HydrophobicContact CB-CE1 4.16Å; I453-F455 HydrophobicContact CB-CE2 4.05Å; I453-F455 HydrophobicContact CB-CZ 4.11Å; I453-F455 HydrophobicContact CD1-CZ 4.26Å; I453-F455 HydrophobicContact CG2-CD1 4.03Å; I453-F455 HydrophobicContact CG2-CD2 4.15Å; I453-F455 HydrophobicContact CG2-CE1 3.57Å; I453-F455 HydrophobicContact CG2-CE2 3.72Å; I453-F455 HydrophobicContact CG2-CG 4.32Å; I453-F455 HydrophobicContact CG2-CZ 3.42Å; I453-F455 VanDerWaalsContact CG2-CZ 3.42Å; F455-T461 CarbonylContact O-C 3.57Å; F455-T461 VanDerWaalsContact O-CA 3.25Å; F455-T461 WeakPolarHBondContact O-CA 3.24Å; F455-Y462 PolarHBondContact N-O 2.8Å; F455-Y462 PolarHBondContact O-N 2.93Å; F455-Y464 HydrophobicContact CD2-CG 4.4Å; F455-Y464 HydrophobicContact CE2-CD1 4.24Å; F455-Y464 HydrophobicContact CE2-CD2 4.39Å; F455-Y464 AromaticContact CE2-CG 3.86Å; F455-Y464 HydrophobicContact CE2-CG 3.86Å
456	F	95.2	Very high	92.8	Very high	1 Å²	1	34 Å²	34	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.7	175	-62.6	-101.6	0	0	0	108.4	F302 V305 D444 A445 V447 T461 W480	F302-F456 AromaticContact CD2-CD1 3.75Å; F302-F456 HydrophobicContact CD2-CD1 3.75Å; F302-F456 AromaticContact CD2-CE1 3.88Å; F302-F456 HydrophobicContact CD2-CE1 3.88Å; F302-F456 HydrophobicContact CE2-CD1 4.37Å; F302-F456 HydrophobicContact CE2-CE1 4.17Å; V305-F456 HydrophobicContact CB-CD2 4.38Å; V305-F456 HydrophobicContact CB-CE2 4.02Å; V305-F456 HydrophobicContact CB-CZ 4.47Å; V305-F456 HydrophobicContact CG1-CE2 4.05Å; V305-F456 HydrophobicContact CG1-CZ 4.22Å; V305-F456 HydrophobicContact CG2-CD1 4.46Å; V305-F456 HydrophobicContact CG2-CD2 4Å; V305-F456 HydrophobicContact CG2-CE1 4.29Å; V305-F456 HydrophobicContact CG2-CE2 3.83Å; V305-F456 HydrophobicContact CG2-CG 4.33Å; V305-F456 HydrophobicContact CG2-CZ 3.98Å; D444-F456 PolarHBondContact N-O 2.83Å; A445-F456 HydrophobicContact CB-CB 4.02Å; A445-F456 HydrophobicContact CB-CD2 4.06Å; A445-F456 HydrophobicContact CB-CG 4.26Å; A445-F456 PolarHBondContact N-O 3.4Å; A445-F456 PolarHBondContact O-N 3.19Å; V447-F456 HydrophobicContact CG1-CE2 4.11Å; F456-T461 HydrophobicContact CD1-CG2 4.03Å; F456-T461 VanDerWaalsContact CD1-OG1 3.25Å; F456-T461 WeakPolarHBondContact CD1-OG1 3.46Å; F456-T461 HydrophobicContact CD2-CG2 4.35Å; F456-T461 HydrophobicContact CE1-CG2 3.82Å; F456-T461 VanDerWaalsContact CE1-OG1 3.26Å; F456-T461 WeakPolarHBondContact CE1-OG1 3.49Å; F456-T461 HydrophobicContact CE2-CG2 4.13Å; F456-T461 HydrophobicContact CG-CG2 4.29Å; F456-T461 HydrophobicContact CZ-CG2 3.87Å; F456-W480 AromaticContact CE1-CD1 3.72Å; F456-W480 HydrophobicContact CE1-CD2 4.17Å; F456-W480 AromaticContact CE1-CG 3.97Å; F456-W480 HydrophobicContact CE1-CG 3.97Å; F456-W480 AromaticContact CE1-NE1 3.75Å; F456-W480 AromaticContact CZ-CD2 3.92Å; F456-W480 HydrophobicContact CZ-CD2 3.92Å; F456-W480 AromaticContact CZ-CE2 3.8Å; F456-W480 HydrophobicContact CZ-CE3 4.41Å; F456-W480 HydrophobicContact CZ-CG 4.2Å; F456-W480 HydrophobicContact CZ-CZ2 4.19Å; F456-W480 AromaticContact CZ-NE1 3.96Å
457	S	93.4	Very high	92.3	Very high	18 Å²	18	42.5 Å²	42.5	13%	0.126	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	106.9	172.3	-173.7	0	0	0	0	108.6	Q442 K460	Q442-S457 WeakPolarHBondContact O-CA 3.44Å; Q442-S457 WeakPolarHBondContact O-CB 3.4Å; Q442-S457 PolarHBondContact O-OG 2.91Å; S457-K460 PolarHBondContact N-O 3.42Å; S457-K460 PolarHBondContact O-N 2.67Å
458	G	90.2	Very high	92	Very high	19 Å²	19	49.1 Å²	49.1	20%	0.196	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	-125.1	-173.1	0	0	0	0	0	111.9	S301 D444 K460 S477	S301-G458 WeakPolarHBondContact CA-O 3.47Å; S301-G458 WeakPolarHBondContact CB-O 3.46Å; D444-G458 WeakPolarHBondContact OD2-CA 3.34Å; D444-G458 PolarHBondContact OD2-N 2.79Å; G458-K460 PolarHBondContact O-N 3.49Å; G458-S477 PolarHBondContact O-OG 2.88Å
459	P	90.3	Very high	91.7	Very high	59 Å²	59	53.4 Å²	53.4	38%	0.383	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	0.3	-177.6	33.9	-36	0	0	0	114.4	S298 S300 K476 S477	S298-P459 VanDerWaalsContact O-CB 3.25Å; S298-P459 WeakPolarHBondContact O-CB 3.38Å; S300-P459 WeakPolarHBondContact O-CA 3.24Å; P459-K476 WeakPolarHBondContact O-CA 3.39Å; P459-S477 VanDerWaalsContact C-OG 3.29Å; P459-S477 PolarHBondContact O-N 3.35Å
460	K	92	Very high	91.8	Very high	106 Å²	106	56.2 Å²	56.2	46%	0.461	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	143.2	-176.1	-65.1	178.4	-178.6	177.2	0	111.6	S457 G458 Y462 V474 S477	S457-K460 PolarHBondContact N-O 3.42Å; S457-K460 PolarHBondContact O-N 2.67Å; G458-K460 PolarHBondContact O-N 3.49Å; K460-Y462 HydrophobicContact CB-CE2 3.93Å; K460-Y462 WeakPolarHBondContact CD-OH 3.22Å; K460-V474 HydrophobicContact CB-CG1 4.21Å; K460-V474 HydrophobicContact CD-CG1 4.34Å; K460-V474 HydrophobicContact CG-CG1 4.36Å; K460-S477 VanDerWaalsContact C-OG 3.32Å; K460-S477 PolarHBondContact N-OG 3.42Å; K460-S477 PolarHBondContact O-OG 3.24Å
461	T	93.9	Very high	92.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.7	165.3	-47.8	0	0	0	0	109.5	Y454 F455 F456 V474 V475 S477 W480	Y454-T461 HydrophobicContact CD1-CG2 4.22Å; F455-T461 CarbonylContact O-C 3.57Å; F455-T461 VanDerWaalsContact O-CA 3.25Å; F455-T461 WeakPolarHBondContact O-CA 3.24Å; F456-T461 HydrophobicContact CD1-CG2 4.03Å; F456-T461 VanDerWaalsContact CD1-OG1 3.25Å; F456-T461 WeakPolarHBondContact CD1-OG1 3.46Å; F456-T461 HydrophobicContact CD2-CG2 4.35Å; F456-T461 HydrophobicContact CE1-CG2 3.82Å; F456-T461 VanDerWaalsContact CE1-OG1 3.26Å; F456-T461 WeakPolarHBondContact CE1-OG1 3.49Å; F456-T461 HydrophobicContact CE2-CG2 4.13Å; F456-T461 HydrophobicContact CG-CG2 4.29Å; F456-T461 HydrophobicContact CZ-CG2 3.87Å; T461-V474 WeakPolarHBondContact O-CA 3.43Å; T461-V475 PolarHBondContact N-O 3.09Å; T461-V475 PolarHBondContact O-N 3.22Å; T461-S477 WeakPolarHBondContact OG1-CA 3.15Å; T461-S477 PolarHBondContact OG1-OG 2.83Å; T461-W480 HydrophobicContact CG2-CZ2 3.9Å; T461-W480 PolarHBondContact OG1-NE1 3.28Å
462	Y	94.8	Very high	92.4	Very high	10 Å²	10	51.4 Å²	51.4	4%	0.039	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.5	176.7	-54.3	-93.9	0	0	0	108.7	V439 N440 Y454 F455 K460 V471 V474	V439-Y462 HydrophobicContact CG1-CD2 4.18Å; N440-Y462 PolarHBondContact O-OH 3.33Å; Y454-Y462 CarbonylContact C-O 3.46Å; Y454-Y462 WeakPolarHBondContact CA-O 3.48Å; F455-Y462 PolarHBondContact N-O 2.8Å; F455-Y462 PolarHBondContact O-N 2.93Å; K460-Y462 HydrophobicContact CB-CE2 3.93Å; K460-Y462 WeakPolarHBondContact CD-OH 3.22Å; Y462-V471 HydrophobicContact CD1-CG1 4.07Å; Y462-V471 HydrophobicContact CD1-CG2 4.16Å; Y462-V471 HydrophobicContact CG-CG2 4.44Å; Y462-V474 HydrophobicContact CD1-CG1 4.18Å; Y462-V474 HydrophobicContact CD1-CG2 3.57Å; Y462-V474 HydrophobicContact CE1-CG1 4.13Å; Y462-V474 HydrophobicContact CE1-CG2 3.95Å
463	K	93.8	Very high	92.3	Very high	52 Å²	52	50.8 Å²	50.8	23%	0.226	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	108.9	169	-178.4	-177.6	175.6	-173.5	0	107.8	Y452 Y454 V471 V472 S473	Y452-K463 HydrophobicContact CD1-CD 4.39Å; Y452-K463 HydrophobicContact CD1-CG 4.13Å; Y452-K463 HydrophobicContact CG-CD 4.31Å; Y452-K463 HydrophobicContact CG-CG 4.12Å; Y454-K463 HydrophobicContact CD1-CB 3.96Å; Y454-K463 HydrophobicContact CD1-CG 4.15Å; Y454-K463 HydrophobicContact CE1-CB 3.72Å; Y454-K463 HydrophobicContact CE1-CD 3.88Å; Y454-K463 HydrophobicContact CE1-CG 3.57Å; Y454-K463 WeakPolarHBondContact OH-CE 3.33Å; K463-V471 WeakPolarHBondContact O-CA 3.31Å; K463-V472 HydrophobicContact CB-CG2 4.26Å; K463-V472 HydrophobicContact CD-CG2 3.88Å; K463-V472 HydrophobicContact CG-CG2 3.81Å; K463-V472 WeakPolarHBondContact O-CG2 3.34Å; K463-V472 PolarHBondContact O-N 3.22Å; K463-S473 PolarHBondContact N-O 3.07Å
464	Y	94.7	Very high	92.1	Very high	6 Å²	6	54.2 Å²	54.2	2%	0.024	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.3	-178.7	-169.9	-95.3	0	0	0	110.7	E435 F436 S437 V439 I453 F455 T466 E469 V471	E435-Y464 PolarHBondContact O-OH 3.14Å; F436-Y464 HydrophobicContact CB-CE2 4.28Å; F436-Y464 HydrophobicContact CD1-CD1 4.2Å; F436-Y464 AromaticContact CD1-CE1 3.77Å; F436-Y464 HydrophobicContact CD1-CE1 3.77Å; F436-Y464 HydrophobicContact CD1-CE2 4.3Å; F436-Y464 AromaticContact CD1-CZ 3.82Å; F436-Y464 HydrophobicContact CE1-CE1 4.26Å; S437-Y464 WeakPolarHBondContact O-CE2 3.11Å; V439-Y464 HydrophobicContact CG2-CD2 4.07Å; I453-Y464 PolarHBondContact N-O 3.1Å; I453-Y464 VanDerWaalsContact N-O 3.1Å; I453-Y464 WeakPolarHBondContact O-CB 2.95Å; I453-Y464 PolarHBondContact O-N 3.29Å; F455-Y464 HydrophobicContact CD2-CG 4.4Å; F455-Y464 HydrophobicContact CE2-CD1 4.24Å; F455-Y464 HydrophobicContact CE2-CD2 4.39Å; F455-Y464 AromaticContact CE2-CG 3.86Å; F455-Y464 HydrophobicContact CE2-CG 3.86Å; Y464-T466 HydrophobicContact CD1-CG2 4.16Å; Y464-T466 HydrophobicContact CE1-CG2 4.3Å; Y464-E469 VanDerWaalsContact CZ-C 3.5Å; Y464-E469 VanDerWaalsContact OH-CA 3.27Å; Y464-E469 WeakPolarHBondContact OH-CA 3.39Å; Y464-E469 PolarHBondContact OH-O 3.09Å; Y464-V471 HydrophobicContact CD2-CG2 4.04Å
465	D	90.4	Very high	91.8	Very high	10 Å²	10	55.4 Å²	55.4	5%	0.053	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111	177.4	-173.8	-26.6	0	0	0	108.6	Y452 E467 K468 E469 D470 V472	Y452-D465 HydrophobicContact CD1-CB 4Å; Y452-D465 HydrophobicContact CE1-CB 3.84Å; D465-E467 PolarHBondContact O-N 3.37Å; D465-E467 WeakPolarHBondContact OD1-CB 3.28Å; D465-E467 PolarHBondContact OD1-N 2.74Å; D465-K468 HydrophobicContact CB-CB 4.14Å; D465-K468 HydrophobicContact CB-CD 4.42Å; D465-K468 HydrophobicContact CB-CG 4.43Å; D465-K468 PolarHBondContact O-N 2.6Å; D465-K468 PolarHBondContact OD1-N 3.21Å; D465-K468 WeakPolarHBondContact OD2-CD 3.23Å; D465-K468 IonicContact OD2-NZ 3.93Å; D465-E469 PolarHBondContact O-N 3.36Å; D465-D470 PolarHBondContact N-O 3.21Å; D465-V472 HydrophobicContact CB-CG1 3.57Å; D465-V472 HydrophobicContact CB-CG2 4.24Å
466	T	88.3	Confident	91.3	Very high	67 Å²	67	62 Å²	62	41%	0.411	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.2	-176.6	51.7	0	0	0	0	113.3	I453 Y464	I453-T466 HydrophobicContact CD1-CG2 3.57Å; I453-T466 HydrophobicContact CG1-CG2 3.98Å; Y464-T466 HydrophobicContact CD1-CG2 4.16Å; Y464-T466 HydrophobicContact CE1-CG2 4.3Å
467	E	88.2	Confident	90.9	Very high	179 Å²	179	61.9 Å²	61.9	84%	0.836	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-31.4	175.7	-62.9	-174.6	167.9	0	0	111.8	D465	D465-E467 PolarHBondContact O-N 3.37Å; D465-E467 WeakPolarHBondContact OD1-CB 3.28Å; D465-E467 PolarHBondContact OD1-N 2.74Å
468	K	88.9	Confident	90.4	Very high	146 Å²	146	61.5 Å²	61.5	64%	0.635	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-12.6	177.9	-64.2	-179.6	-176.5	169.8	0	113.7	D465 D470 V472	D465-K468 HydrophobicContact CB-CB 4.14Å; D465-K468 HydrophobicContact CB-CD 4.42Å; D465-K468 HydrophobicContact CB-CG 4.43Å; D465-K468 PolarHBondContact O-N 2.6Å; D465-K468 PolarHBondContact OD1-N 3.21Å; D465-K468 WeakPolarHBondContact OD2-CD 3.23Å; D465-K468 IonicContact OD2-NZ 3.93Å; K468-D470 PolarHBondContact O-N 3.21Å; K468-V472 HydrophobicContact CD-CG1 4.07Å
469	E	89.3	Confident	90.1	Very high	138 Å²	138	62.6 Å²	62.6	65%	0.645	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	37.6	-175.4	-60.2	-178.9	166.7	0	0	112.7	Y464 D465	Y464-E469 VanDerWaalsContact CZ-C 3.5Å; Y464-E469 VanDerWaalsContact OH-CA 3.27Å; Y464-E469 WeakPolarHBondContact OH-CA 3.39Å; Y464-E469 PolarHBondContact OH-O 3.09Å; D465-E469 PolarHBondContact O-N 3.36Å
470	D	90.7	Very high	89.7	Confident	80 Å²	80	61.2 Å²	61.2	43%	0.428	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	161	-178	-162.1	10.1	0	0	0	112.5	D465 K468 V472	D465-D470 PolarHBondContact N-O 3.21Å; K468-D470 PolarHBondContact O-N 3.21Å; D470-V472 PolarHBondContact O-N 3.15Å
471	V	92.3	Very high	88.9	Confident	25 Å²	25	57.4 Å²	57.4	15%	0.152	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	116.6	172.9	174.4	0	0	0	0	110.3	G438 V439 Y462 K463 Y464 S473 V474	G438-V471 VanDerWaalsContact C-CG2 3.41Å; G438-V471 WeakPolarHBondContact O-CG2 3.33Å; V439-V471 HydrophobicContact CG2-CG2 3.77Å; Y462-V471 HydrophobicContact CD1-CG1 4.07Å; Y462-V471 HydrophobicContact CD1-CG2 4.16Å; Y462-V471 HydrophobicContact CG-CG2 4.44Å; K463-V471 WeakPolarHBondContact O-CA 3.31Å; Y464-V471 HydrophobicContact CD2-CG2 4.04Å; V471-S473 WeakPolarHBondContact CG1-O 3.38Å; V471-V474 HydrophobicContact CG1-CG2 3.67Å
472	V	92.6	Very high	87.8	Confident	62 Å²	62	60.7 Å²	60.7	38%	0.376	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-15.8	179.5	-64.9	0	0	0	0	113.5	Y452 K463 D465 K468 D470	Y452-V472 HydrophobicContact CD1-CG2 4.45Å; Y452-V472 HydrophobicContact CE1-CG2 4.33Å; K463-V472 HydrophobicContact CB-CG2 4.26Å; K463-V472 HydrophobicContact CD-CG2 3.88Å; K463-V472 HydrophobicContact CG-CG2 3.81Å; K463-V472 WeakPolarHBondContact O-CG2 3.34Å; K463-V472 PolarHBondContact O-N 3.22Å; D465-V472 HydrophobicContact CB-CG1 3.57Å; D465-V472 HydrophobicContact CB-CG2 4.24Å; K468-V472 HydrophobicContact CD-CG1 4.07Å; D470-V472 PolarHBondContact O-N 3.15Å
473	S	90.5	Very high	86.5	Confident	54 Å²	54	63.3 Å²	63.3	38%	0.378	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	145.3	177.2	-172.6	0	0	0	0	111.5	K463 V471	K463-S473 PolarHBondContact N-O 3.07Å; V471-S473 WeakPolarHBondContact CG1-O 3.38Å
474	V	91.4	Very high	86.1	Confident	75 Å²	75	63.9 Å²	63.9	46%	0.455	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.7	171.9	-173.6	0	0	0	0	108.8	K460 T461 Y462 V471	K460-V474 HydrophobicContact CB-CG1 4.21Å; K460-V474 HydrophobicContact CD-CG1 4.34Å; K460-V474 HydrophobicContact CG-CG1 4.36Å; T461-V474 WeakPolarHBondContact O-CA 3.43Å; Y462-V474 HydrophobicContact CD1-CG1 4.18Å; Y462-V474 HydrophobicContact CD1-CG2 3.57Å; Y462-V474 HydrophobicContact CE1-CG1 4.13Å; Y462-V474 HydrophobicContact CE1-CG2 3.95Å; V471-V474 HydrophobicContact CG1-CG2 3.67Å
475	V	89.2	Confident	85.7	Confident	57 Å²	57	66.9 Å²	66.9	35%	0.345	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	167.6	176.6	-60.3	0	0	0	0	110.3	T461	T461-V475 PolarHBondContact N-O 3.09Å; T461-V475 PolarHBondContact O-N 3.22Å
476	K	87.1	Confident	85.4	Confident	137 Å²	137	70.1 Å²	70.1	60%	0.596	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	141.9	171.4	-65	-178	-179.6	178.8	0	109.7	P459 S478 S479	P459-K476 WeakPolarHBondContact O-CA 3.39Å; K476-S478 VanDerWaalsContact C-N 3.28Å; K476-S478 PolarHBondContact O-N 2.97Å; K476-S479 WeakPolarHBondContact O-CA 3.41Å; K476-S479 WeakPolarHBondContact O-CB 3.3Å; K476-S479 PolarHBondContact O-N 3.35Å; K476-S479 VanDerWaalsContact O-N 3.14Å; K476-S479 PolarHBondContact O-OG 2.78Å
477	S	86.8	Confident	85.3	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	39%	0.389	C	S	.	.	S	Bend	trans	-59.8	-38.6	173.7	-65	0	0	0	0	111.8	S300 F302 G458 P459 K460 T461 S479 W480	S300-S477 VanDerWaalsContact O-CB 3.32Å; S300-S477 WeakPolarHBondContact O-CB 3.48Å; F302-S477 WeakPolarHBondContact CE2-O 3.47Å; G458-S477 PolarHBondContact O-OG 2.88Å; P459-S477 VanDerWaalsContact C-OG 3.29Å; P459-S477 PolarHBondContact O-N 3.35Å; K460-S477 VanDerWaalsContact C-OG 3.32Å; K460-S477 PolarHBondContact N-OG 3.42Å; K460-S477 PolarHBondContact O-OG 3.24Å; T461-S477 WeakPolarHBondContact OG1-CA 3.15Å; T461-S477 PolarHBondContact OG1-OG 2.83Å; S477-S479 PolarHBondContact O-N 3.48Å; S477-W480 PolarHBondContact O-N 3.45Å; S477-W480 VanDerWaalsContact O-N 3.09Å
478	S	82.9	Confident	85.1	Confident	9 Å²	9	63.5 Å²	63.5	6%	0.063	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-59.3	-31.8	176	59.9	0	0	0	0	113.6	L295 K476 W480 I481 C483	L295-S478 WeakPolarHBondContact O-CB 3.13Å; K476-S478 VanDerWaalsContact C-N 3.28Å; K476-S478 PolarHBondContact O-N 2.97Å; S478-W480 PolarHBondContact O-N 3.25Å; S478-I481 WeakPolarHBondContact O-CG1 3.15Å; S478-I481 PolarHBondContact O-N 3Å; S478-I481 VanDerWaalsContact O-N 3.09Å; S478-C483 PolarHBondContact O-N 3.08Å
479	S	83.3	Confident	84.8	Confident	43 Å²	43	58 Å²	58	30%	0.301	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	2.7	-67.8	142	111	0	0	0	0	119.5	K476 S477 I481 G482 C483	K476-S479 WeakPolarHBondContact O-CA 3.41Å; K476-S479 WeakPolarHBondContact O-CB 3.3Å; K476-S479 PolarHBondContact O-N 3.35Å; K476-S479 VanDerWaalsContact O-N 3.14Å; K476-S479 PolarHBondContact O-OG 2.78Å; S477-S479 PolarHBondContact O-N 3.48Å; S479-I481 VanDerWaalsContact C-N 3.28Å; S479-I481 PolarHBondContact O-N 2.87Å; S479-G482 PolarHBondContact O-N 2.91Å; S479-C483 WeakPolarHBondContact CA-OXT 3.45Å; S479-C483 WeakPolarHBondContact CB-OXT 3.34Å; S479-C483 PolarHBondContact N-OXT 3.49Å; S479-C483 VanDerWaalsContact N-OXT 3.13Å
480	W	81.7	Confident	84.5	Confident	30 Å²	30	52.3 Å²	52.3	11%	0.114	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-80.4	-16.2	-160.9	-71.2	79.3	0	0	0	112.7	F302 L312 L314 R323 L449 Y454 F456 T461 S477 S478	F302-W480 HydrophobicContact CE2-CB 4.48Å; L312-W480 HydrophobicContact CD2-CE3 3.6Å; L312-W480 HydrophobicContact CD2-CZ3 3.82Å; L314-W480 HydrophobicContact CD2-CB 3.57Å; L314-W480 HydrophobicContact CD2-CG 4.36Å; R323-W480 PolarHBondContact NH1-O 3.39Å; L449-W480 HydrophobicContact CD1-CH2 3.8Å; L449-W480 HydrophobicContact CD1-CZ3 3.52Å; Y454-W480 AromaticContact CD1-CH2 3.53Å; Y454-W480 HydrophobicContact CD1-CH2 3.53Å; Y454-W480 AromaticContact CD1-CZ2 3.3Å; Y454-W480 HydrophobicContact CD1-CZ2 3.3Å; Y454-W480 HydrophobicContact CD2-CH2 4.07Å; Y454-W480 AromaticContact CE1-CH2 3.77Å; Y454-W480 HydrophobicContact CE1-CH2 3.77Å; Y454-W480 AromaticContact CE1-CZ2 3.72Å; Y454-W480 HydrophobicContact CE1-CZ2 3.72Å; Y454-W480 HydrophobicContact CE2-CH2 4.35Å; Y454-W480 AromaticContact CG-CH2 3.64Å; Y454-W480 HydrophobicContact CG-CH2 3.64Å; Y454-W480 AromaticContact CG-CZ2 3.76Å; Y454-W480 HydrophobicContact CG-CZ2 3.76Å; F456-W480 AromaticContact CE1-CD1 3.72Å; F456-W480 HydrophobicContact CE1-CD2 4.17Å; F456-W480 AromaticContact CE1-CG 3.97Å; F456-W480 HydrophobicContact CE1-CG 3.97Å; F456-W480 AromaticContact CE1-NE1 3.75Å; F456-W480 AromaticContact CZ-CD2 3.92Å; F456-W480 HydrophobicContact CZ-CD2 3.92Å; F456-W480 AromaticContact CZ-CE2 3.8Å; F456-W480 HydrophobicContact CZ-CE3 4.41Å; F456-W480 HydrophobicContact CZ-CG 4.2Å; F456-W480 HydrophobicContact CZ-CZ2 4.19Å; F456-W480 AromaticContact CZ-NE1 3.96Å; T461-W480 HydrophobicContact CG2-CZ2 3.9Å; T461-W480 PolarHBondContact OG1-NE1 3.28Å; S477-W480 PolarHBondContact O-N 3.45Å; S477-W480 VanDerWaalsContact O-N 3.09Å; S478-W480 PolarHBondContact O-N 3.25Å
481	I	76.3	Confident	84	Confident	25 Å²	25	50.2 Å²	50.2	13%	0.128	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-108.3	8	177.8	58.8	163.8	0	0	0	113.1	L295 F302 L314 W321 I331 S478 S479	L295-I481 HydrophobicContact CB-CD1 3.15Å; L295-I481 HydrophobicContact CD1-CD1 4.15Å; L295-I481 HydrophobicContact CD2-CD1 4.36Å; L295-I481 HydrophobicContact CG-CD1 4.09Å; F302-I481 HydrophobicContact CE1-CG2 4.28Å; F302-I481 HydrophobicContact CZ-CG2 3.93Å; L314-I481 HydrophobicContact CD1-CG2 4.39Å; L314-I481 HydrophobicContact CD2-CG2 4.48Å; W321-I481 HydrophobicContact CB-CG2 4.27Å; W321-I481 HydrophobicContact CD2-CG2 4.35Å; W321-I481 HydrophobicContact CG-CG2 4.18Å; I331-I481 HydrophobicContact CD1-CB 4.47Å; S478-I481 WeakPolarHBondContact O-CG1 3.15Å; S478-I481 PolarHBondContact O-N 3Å; S478-I481 VanDerWaalsContact O-N 3.09Å; S479-I481 VanDerWaalsContact C-N 3.28Å; S479-I481 PolarHBondContact O-N 2.87Å
482	G	70.4	Confident	83.3	Confident	70 Å²	70	52.3 Å²	52.3	72%	0.722	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	18.1	172.9	0	0	0	0	0	115.2	S479	S479-G482 PolarHBondContact O-N 2.91Å
483	C	68.1	Low	82.5	Confident	65 Å²	65	51.4 Å²	51.4	44%	0.439	32%	0.322	S	S	.	.			trans	-96.1	0	155.6	-33	0	0	0	0	108.4	C296 S478 S479	C296-C483 WeakPolarHBondContact CA-SG 3.48Å; C296-C483 HydrophobicContact CB-CB 3.8Å; C296-C483 WeakPolarHBondContact CB-SG 3.4Å; C296-C483 WeakPolarHBondContact SG-CB 3.4Å; C296-C483 CovalentContact SG-SG 2.04Å; C296-C483 PolarHBondContact SG-SG 2.95Å; S478-C483 PolarHBondContact O-N 3.08Å; S479-C483 WeakPolarHBondContact CA-OXT 3.45Å; S479-C483 WeakPolarHBondContact CB-OXT 3.34Å; S479-C483 PolarHBondContact N-OXT 3.49Å; S479-C483 VanDerWaalsContact N-OXT 3.13Å

Retrieved 483 of 483 residues in 148.5 ms (Link to these results)

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