A0A087YC99_POEFO Loading...

F-box protein 21

AlphaFold DB , UniProt , Accession A0A087YC99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 637 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	29.1	Very low	30.5	Very low	248 Å²	248	146.7 Å²	146.7	100%	1.222	82%	0.821	S	S	*	*				0	156.4	0	-72.7	-167.7	-156	0	0	108.3
2	A	34.2	Very low	30.5	Very low	86 Å²	86	144.4 Å²	144.4	71%	0.711	82%	0.822	S	S	*	*			trans	-42.3	151.7	-177.4	0	0	0	0	0	115.7
3	T	36.9	Very low	31.5	Very low	135 Å²	135	143.8 Å²	143.8	83%	0.828	81%	0.814	S	S	*	*			trans	55.7	123.2	155.5	50.9	0	0	0	0	118.9
4	S	28.4	Very low	31.9	Very low	105 Å²	105	145.5 Å²	145.5	73%	0.734	82%	0.819	S	S	*	*				169.8	132.1	107.4	72.8	0	0	0	0	113
5	V	33.8	Very low	32.4	Very low	136 Å²	136	140 Å²	140	82%	0.824	81%	0.808	S	S	*	*				61.8	131	124.1	-177.1	0	0	0	0	121.2
6	A	29.8	Very low	33.1	Very low	83 Å²	83	141.1 Å²	141.1	69%	0.686	81%	0.808	S	S	*	*			trans	87.6	112.2	141.2	0	0	0	0	0	122.2
7	R	28.1	Very low	33.5	Very low	244 Å²	244	142.2 Å²	142.2	92%	0.921	81%	0.809	S	S	*	*				64.8	131	113.4	-115.5	-179.4	-173.4	179.7	0.9	121.1
8	A	28.3	Very low	34.3	Very low	89 Å²	89	143.9 Å²	143.9	74%	0.736	81%	0.808	S	S	*	*			trans	77.2	137.8	146.5	0	0	0	0	0	114.8
9	E	26	Very low	35.1	Very low	175 Å²	175	145.7 Å²	145.7	82%	0.818	81%	0.81	S	S	*	*			cis	-157.9	153.8	36.1	-88.4	168.6	161.6	0	0	111.9
10	Q	27.2	Very low	36.1	Very low	163 Å²	163	144.1 Å²	144.1	76%	0.762	81%	0.808	S	S	*	*			trans	19.5	112	147.6	-72	161.4	-30.8	0	0	119.9
11	L	33.4	Very low	37.3	Very low	150 Å²	150	146 Å²	146	79%	0.785	81%	0.811	S	S	*	*				67.1	108.7	90.7	-83.7	163.8	0	0	0	116	L13	L11-L13 HydrophobicContact CD2-CD1 3.93Å
12	S	30.3	Very low	39.1	Very low	119 Å²	119	138 Å²	138	83%	0.832	79%	0.785	S	S	*	*			trans	-150.4	121.3	134.4	108.8	0	0	0	0	110.5
13	L	43.8	Very low	41.2	Very low	137 Å²	137	143.2 Å²	143.2	72%	0.717	79%	0.791	S	S	*	*			trans	-68.8	139.2	177.3	-80.5	87.5	0	0	0	111.1	L11	L11-L13 HydrophobicContact CD2-CD1 3.93Å
14	N	36.9	Very low	43.6	Very low	167 Å²	167	143.7 Å²	143.7	89%	0.893	78%	0.782	S	S	*	*			trans	-160.1	69.4	134.5	-94.2	-20.3	0	0	0	108.5
15	G	39.7	Very low	46.5	Very low	63 Å²	63	143.2 Å²	143.2	65%	0.649	77%	0.77	S	S	*	*			trans	-87.3	113.5	162.3	0	0	0	0	0	107.9	I17	G15-I17 PolarHBondContact O-N 3.15Å
16	I	43.8	Very low	49.2	Very low	157 Å²	157	138.5 Å²	138.5	81%	0.805	74%	0.742	S	S	*	*			trans	-60.6	105.6	170.9	-63.4	169.4	0	0	0	107.1	H18	I16-H18 PolarHBondContact O-N 2.99Å; I16-H18 VanDerWaalsContact O-N 3.15Å
17	I	40	Very low	52.2	Low	161 Å²	161	139.4 Å²	139.4	83%	0.826	74%	0.735	S	S	*	*			trans	-74	101.2	169.6	-60.6	173.4	0	0	0	105.8	G15 E19	G15-I17 PolarHBondContact O-N 3.15Å; I17-E19 PolarHBondContact O-N 3.24Å
18	H	47.3	Very low	55.3	Low	172 Å²	172	130.4 Å²	130.4	80%	0.796	71%	0.705	S	S	*	*			trans	-57.9	120.1	165.5	-114.2	-83.2	0	0	0	108	I16 S20	I16-H18 PolarHBondContact O-N 2.99Å; I16-H18 VanDerWaalsContact O-N 3.15Å; H18-S20 PolarHBondContact O-N 3.24Å
19	E	50.3	Low	58.5	Low	179 Å²	179	129.4 Å²	129.4	84%	0.836	69%	0.691	S	S	*	*			trans	-47.8	126.7	168.8	-80.3	177.7	144.6	0	0	109.5	I17 Q21	I17-E19 PolarHBondContact O-N 3.24Å; E19-Q21 PolarHBondContact O-N 2.89Å
20	S	54.5	Low	61.6	Low	112 Å²	112	123 Å²	123	78%	0.783	66%	0.664	S	S	*	*			trans	-58.9	106.7	171.7	59.7	0	0	0	0	108.3	H18 A22	H18-S20 PolarHBondContact O-N 3.24Å; S20-A22 PolarHBondContact O-N 2.92Å
21	Q	62	Low	64.7	Low	184 Å²	184	119.2 Å²	119.2	86%	0.86	65%	0.646	S	S	*	*			trans	-53.9	109.2	167.7	-88.8	179.3	-19.5	0	0	107.8	E19 K23	E19-Q21 PolarHBondContact O-N 2.89Å; Q21-K23 PolarHBondContact O-N 2.94Å
22	A	66	Low	67.6	Low	82 Å²	82	116.2 Å²	116.2	68%	0.678	63%	0.631	S	S	*	*			trans	-61.4	105.1	172.7	0	0	0	0	0	107.3	S20 K24	S20-A22 PolarHBondContact O-N 2.92Å; A22-K24 PolarHBondContact O-N 3.22Å; A22-K24 VanDerWaalsContact O-N 3.15Å
23	K	79.7	Confident	70.6	Confident	195 Å²	195	110.7 Å²	110.7	85%	0.848	59%	0.592	S	S	*	*			trans	-56	120	176.9	-68.7	-178.8	178.5	179	0	108.3	Q21	Q21-K23 PolarHBondContact O-N 2.94Å
24	K	87.3	Confident	73	Confident	144 Å²	144	104.4 Å²	104.4	63%	0.626	56%	0.559	S	S	*	*			trans	-87.7	155.1	178.3	-62.2	-178.9	-178.4	177.6	0	109.3	A22 T26 D27	A22-K24 PolarHBondContact O-N 3.22Å; A22-K24 VanDerWaalsContact O-N 3.15Å; K24-T26 PolarHBondContact O-N 3.33Å; K24-D27 PolarHBondContact N-OD2 3.38Å; K24-D27 VanDerWaalsContact O-CB 3.32Å; K24-D27 WeakPolarHBondContact O-CB 3.37Å; K24-D27 PolarHBondContact O-N 3.46Å
25	L	88.4	Confident	75.7	Confident	95 Å²	95	102.2 Å²	102.2	50%	0.497	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-52.2	-41.3	173.8	-179.9	67.7	0	0	0	111.3	D27 L28 L33 I36	L25-D27 PolarHBondContact O-N 3.07Å; L25-D27 VanDerWaalsContact O-N 3.11Å; L25-L28 HydrophobicContact CD1-CD1 3.88Å; L25-L28 WeakPolarHBondContact O-CB 3.46Å; L25-L28 WeakPolarHBondContact O-CG 3.36Å; L25-L28 PolarHBondContact O-N 2.87Å; L25-L28 VanDerWaalsContact O-N 3.17Å; L25-L33 HydrophobicContact CD1-CD2 3.97Å; L25-L33 HydrophobicContact CG-CD2 3.91Å; L25-L33 WeakPolarHBondContact O-CD2 3.49Å; L25-I36 HydrophobicContact CD1-CD1 4.13Å
26	T	90.9	Very high	78.2	Confident	37 Å²	37	102.8 Å²	102.8	23%	0.227	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-62.6	-15.1	178	49.4	0	0	0	0	114	K24 L28 R56 L57	K24-T26 PolarHBondContact O-N 3.33Å; T26-L28 VanDerWaalsContact C-N 3.25Å; T26-L28 PolarHBondContact O-N 3.21Å; T26-R56 VanDerWaalsContact O-CD 3.28Å; T26-R56 WeakPolarHBondContact O-CD 3.39Å; T26-R56 PolarHBondContact O-NE 3.3Å; T26-L57 HydrophobicContact CG2-CD1 4.25Å; T26-L57 HydrophobicContact CG2-CD2 4.48Å; T26-L57 HydrophobicContact CG2-CG 4.15Å
27	D	92.7	Very high	80.6	Confident	102 Å²	102	95.8 Å²	95.8	55%	0.545	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-81.3	-9.8	180	-54.1	-22.9	0	0	0	111.9	K24 L25	K24-D27 PolarHBondContact N-OD2 3.38Å; K24-D27 VanDerWaalsContact O-CB 3.32Å; K24-D27 WeakPolarHBondContact O-CB 3.37Å; K24-D27 PolarHBondContact O-N 3.46Å; L25-D27 PolarHBondContact O-N 3.07Å; L25-D27 VanDerWaalsContact O-N 3.11Å
28	L	93.6	Very high	83.1	Confident	56 Å²	56	89 Å²	89	29%	0.293	46%	0.461	S	S	.	.	S	Bend	trans	-68.9	147.6	175.6	-65.2	178.2	0	0	0	111.9	L25 T26 L32 L33 I36 R56	L25-L28 HydrophobicContact CD1-CD1 3.88Å; L25-L28 WeakPolarHBondContact O-CB 3.46Å; L25-L28 WeakPolarHBondContact O-CG 3.36Å; L25-L28 PolarHBondContact O-N 2.87Å; L25-L28 VanDerWaalsContact O-N 3.17Å; T26-L28 VanDerWaalsContact C-N 3.25Å; T26-L28 PolarHBondContact O-N 3.21Å; L28-L32 HydrophobicContact CB-CB 4.4Å; L28-L32 HydrophobicContact CD2-CD1 4.36Å; L28-L33 HydrophobicContact CB-CD2 4.06Å; L28-L33 HydrophobicContact CB-CG 3.94Å; L28-L33 HydrophobicContact CD1-CD2 4.17Å; L28-I36 HydrophobicContact CD1-CD1 3.61Å; L28-R56 PolarHBondContact O-NH2 3.45Å
29	P	93.9	Very high	85.3	Confident	67 Å²	67	87.1 Å²	87.1	44%	0.435	45%	0.451	S	S	.	.			trans	-53.2	149	167.2	-25.6	33.6	0	0	0	112.8	E31 L32 L33	P29-E31 PolarHBondContact O-N 2.91Å; P29-L32 HydrophobicContact CG-CD1 4.38Å; P29-L32 PolarHBondContact O-N 3.22Å; P29-L33 PolarHBondContact O-N 3.09Å; P29-L33 VanDerWaalsContact O-N 3.08Å
30	T	92.9	Very high	87.1	Confident	40 Å²	40	82.9 Å²	82.9	25%	0.245	44%	0.439	C	S	.	.	H	α-helix	trans	-53.2	-42.5	179.8	-63.8	0	0	0	0	111.6	L32 L33 E34 V60	T30-L32 VanDerWaalsContact C-N 3.31Å; T30-L32 PolarHBondContact O-N 3.27Å; T30-L33 PolarHBondContact O-N 2.92Å; T30-E34 HydrophobicContact CG2-CG 4.31Å; T30-E34 WeakPolarHBondContact O-CG 3.22Å; T30-E34 PolarHBondContact O-N 3.2Å; T30-V60 HydrophobicContact CG2-CG2 4.25Å
31	E	91.9	Very high	88.9	Confident	84 Å²	84	82.5 Å²	82.5	39%	0.393	43%	0.432	S	S	.	.	H	α-helix	trans	-61.9	-39.1	-178.7	-64	70.7	-156.6	0	0	111.7	P29 H35 R64	P29-E31 PolarHBondContact O-N 2.91Å; E31-H35 WeakPolarHBondContact O-CB 3.5Å; E31-H35 PolarHBondContact O-CD2 3.15Å; E31-H35 PolarHBondContact O-N 2.77Å; E31-R64 IonicContact OE1-CZ 3.87Å; E31-R64 IonicContact OE1-NH1 3.7Å; E31-R64 PolarHBondContact OE1-NH1 2.94Å; E31-R64 IonicContact OE1-NH2 2.75Å
32	L	93.4	Very high	90.4	Very high	88 Å²	88	75.9 Å²	75.9	46%	0.461	40%	0.402	S	S	.	.	H	α-helix	trans	-72.2	-38.7	177.2	-67	-171.5	0	0	0	111.6	L28 P29 T30 H35 I36	L28-L32 HydrophobicContact CB-CB 4.4Å; L28-L32 HydrophobicContact CD2-CD1 4.36Å; P29-L32 HydrophobicContact CG-CD1 4.38Å; P29-L32 PolarHBondContact O-N 3.22Å; T30-L32 VanDerWaalsContact C-N 3.31Å; T30-L32 PolarHBondContact O-N 3.27Å; L32-H35 PolarHBondContact O-N 3.06Å; L32-I36 VanDerWaalsContact O-CG1 3.29Å; L32-I36 WeakPolarHBondContact O-CG1 3.45Å; L32-I36 PolarHBondContact O-N 2.76Å
33	L	93.9	Very high	91.6	Very high	3 Å²	3	78.5 Å²	78.5	2%	0.016	40%	0.398	C	S	.	.	H	α-helix	trans	-63.3	-43.1	174.2	-69.6	172.3	0	0	0	111.5	L25 L28 P29 T30 H35 I36 L37 L57 V60	L25-L33 HydrophobicContact CD1-CD2 3.97Å; L25-L33 HydrophobicContact CG-CD2 3.91Å; L25-L33 WeakPolarHBondContact O-CD2 3.49Å; L28-L33 HydrophobicContact CB-CD2 4.06Å; L28-L33 HydrophobicContact CB-CG 3.94Å; L28-L33 HydrophobicContact CD1-CD2 4.17Å; P29-L33 PolarHBondContact O-N 3.09Å; P29-L33 VanDerWaalsContact O-N 3.08Å; T30-L33 PolarHBondContact O-N 2.92Å; L33-H35 VanDerWaalsContact C-N 3.34Å; L33-H35 PolarHBondContact O-N 3.09Å; L33-I36 PolarHBondContact O-N 3.17Å; L33-L37 WeakPolarHBondContact O-CB 3.47Å; L33-L37 VanDerWaalsContact O-CG 3.26Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 3.08Å; L33-L57 HydrophobicContact CD1-CD2 4.48Å; L33-L57 HydrophobicContact CD2-CD2 4.39Å; L33-V60 HydrophobicContact CB-CG1 3.84Å; L33-V60 HydrophobicContact CB-CG2 4.28Å; L33-V60 HydrophobicContact CD1-CG2 3.96Å
34	E	93.8	Very high	92.2	Very high	5 Å²	5	71.1 Å²	71.1	2%	0.023	37%	0.366	C	S	.	.	H	α-helix	trans	-60	-43.4	172.3	-71.5	175.4	169.3	0	0	111.5	T30 I36 L37 C38 V60 K66 V67	T30-E34 HydrophobicContact CG2-CG 4.31Å; T30-E34 WeakPolarHBondContact O-CG 3.22Å; T30-E34 PolarHBondContact O-N 3.2Å; E34-I36 VanDerWaalsContact C-N 3.34Å; E34-I36 PolarHBondContact O-N 3.11Å; E34-L37 PolarHBondContact O-N 3.21Å; E34-C38 VanDerWaalsContact O-CB 3.29Å; E34-C38 WeakPolarHBondContact O-CB 3.32Å; E34-C38 PolarHBondContact O-N 3.26Å; E34-C38 PolarHBondContact O-SG 2.97Å; E34-V60 HydrophobicContact CG-CG1 3.86Å; E34-K66 HydrophobicContact CB-CD 4.27Å; E34-K66 WeakPolarHBondContact OE2-CD 3.49Å; E34-K66 IonicContact OE2-NZ 3.44Å; E34-K66 PolarHBondContact OE2-NZ 3.36Å; E34-V67 HydrophobicContact CB-CG2 4.46Å; E34-V67 HydrophobicContact CG-CG2 4.25Å
35	H	92.9	Very high	92.5	Very high	120 Å²	120	67.8 Å²	67.8	56%	0.556	36%	0.358	S	S	*	.	H	α-helix	trans	-62.2	-39.3	176.9	-88.7	-66.9	0	0	0	112.8	E31 L32 L33 C38	E31-H35 WeakPolarHBondContact O-CB 3.5Å; E31-H35 PolarHBondContact O-CD2 3.15Å; E31-H35 PolarHBondContact O-N 2.77Å; L32-H35 PolarHBondContact O-N 3.06Å; L33-H35 VanDerWaalsContact C-N 3.34Å; L33-H35 PolarHBondContact O-N 3.09Å; H35-C38 PolarHBondContact O-N 3.23Å
36	I	93.5	Very high	92.9	Very high	76 Å²	76	66.1 Å²	66.1	39%	0.39	35%	0.35	S	S	.	.	H	α-helix	trans	-65.4	-44.4	174.5	-68.1	164.3	0	0	0	110.5	L25 L28 L32 L33 E34 C38 F39 L42	L25-I36 HydrophobicContact CD1-CD1 4.13Å; L28-I36 HydrophobicContact CD1-CD1 3.61Å; L32-I36 VanDerWaalsContact O-CG1 3.29Å; L32-I36 WeakPolarHBondContact O-CG1 3.45Å; L32-I36 PolarHBondContact O-N 2.76Å; L33-I36 PolarHBondContact O-N 3.17Å; E34-I36 VanDerWaalsContact C-N 3.34Å; E34-I36 PolarHBondContact O-N 3.11Å; I36-C38 VanDerWaalsContact C-N 3.27Å; I36-C38 PolarHBondContact O-N 3.2Å; I36-F39 VanDerWaalsContact O-CB 3.25Å; I36-F39 WeakPolarHBondContact O-CB 3.36Å; I36-F39 PolarHBondContact O-N 2.91Å; I36-F39 VanDerWaalsContact O-N 3.14Å; I36-L42 WeakPolarHBondContact O-CD1 3.41Å
37	L	93.3	Very high	93	Very high	10 Å²	10	64.4 Å²	64.4	5%	0.052	34%	0.339	C	S	.	.	H	α-helix	trans	-70.9	-22.3	-179.6	-69.6	168.8	0	0	0	113.5	L33 E34 F39 L42 V50 V60 V67	L33-L37 WeakPolarHBondContact O-CB 3.47Å; L33-L37 VanDerWaalsContact O-CG 3.26Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 3.08Å; E34-L37 PolarHBondContact O-N 3.21Å; L37-F39 VanDerWaalsContact C-N 3.25Å; L37-F39 PolarHBondContact O-N 2.85Å; L37-L42 HydrophobicContact CD2-CD1 4.41Å; L37-V50 HydrophobicContact CD2-CB 4.31Å; L37-V50 HydrophobicContact CD2-CG1 3.95Å; L37-V50 HydrophobicContact CD2-CG2 4.37Å; L37-V60 HydrophobicContact CD1-CG1 3.78Å; L37-V67 HydrophobicContact CB-CG1 4.01Å; L37-V67 HydrophobicContact CB-CG2 4.06Å; L37-V67 HydrophobicContact CD1-CG2 4.31Å
38	C	94.1	Very high	93.1	Very high	19 Å²	19	61.9 Å²	61.9	13%	0.128	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	19.5	171.4	-67.1	0	0	0	0	112.8	E34 H35 I36 H70	E34-C38 VanDerWaalsContact O-CB 3.29Å; E34-C38 WeakPolarHBondContact O-CB 3.32Å; E34-C38 PolarHBondContact O-N 3.26Å; E34-C38 PolarHBondContact O-SG 2.97Å; H35-C38 PolarHBondContact O-N 3.23Å; I36-C38 VanDerWaalsContact C-N 3.27Å; I36-C38 PolarHBondContact O-N 3.2Å; C38-H70 VanDerWaalsContact CA-CD2 3.49Å; C38-H70 WeakPolarHBondContact CA-CD2 3.41Å; C38-H70 HydrophobicContact CB-CB 4.18Å; C38-H70 PolarHBondContact O-CE1 3.07Å; C38-H70 PolarHBondContact O-NE2 3.37Å; C38-H70 VanDerWaalsContact SG-CB 3.53Å
39	F	93.3	Very high	93.2	Very high	131 Å²	131	63.9 Å²	63.9	58%	0.575	34%	0.34	S	S	*	.			trans	-79.2	129	173	-153.3	-107.7	0	0	0	109.7	I36 L37 V41 L42	I36-F39 VanDerWaalsContact O-CB 3.25Å; I36-F39 WeakPolarHBondContact O-CB 3.36Å; I36-F39 PolarHBondContact O-N 2.91Å; I36-F39 VanDerWaalsContact O-N 3.14Å; L37-F39 VanDerWaalsContact C-N 3.25Å; L37-F39 PolarHBondContact O-N 2.85Å; F39-V41 HydrophobicContact CD1-CB 4.17Å; F39-V41 HydrophobicContact CD1-CG1 3.71Å; F39-V41 HydrophobicContact CE1-CG1 4.46Å; F39-V41 PolarHBondContact O-N 3.44Å; F39-L42 PolarHBondContact O-N 3.46Å
40	P	88.3	Confident	93.2	Very high	90 Å²	90	62.5 Å²	62.5	58%	0.584	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.7	-169.9	-27.5	34.6	0	0	0	116.3	L42 I74	P40-L42 VanDerWaalsContact C-N 3.31Å; P40-I74 HydrophobicContact CB-CD1 4.08Å; P40-I74 HydrophobicContact CG-CD1 4.38Å
41	V	91.9	Very high	93.3	Very high	105 Å²	105	61 Å²	61	64%	0.636	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-27.6	176.1	80.2	0	0	0	0	112.3	F39	F39-V41 HydrophobicContact CD1-CB 4.17Å; F39-V41 HydrophobicContact CD1-CG1 3.71Å; F39-V41 HydrophobicContact CE1-CG1 4.46Å; F39-V41 PolarHBondContact O-N 3.44Å
42	L	92.2	Very high	93.4	Very high	45 Å²	45	62.3 Å²	62.3	24%	0.236	34%	0.338	C	S	.	.			trans	-84.2	124.4	-177.8	-61.9	178.1	0	0	0	109.7	I36 L37 F39 P40 D46 Q71	I36-L42 WeakPolarHBondContact O-CD1 3.41Å; L37-L42 HydrophobicContact CD2-CD1 4.41Å; F39-L42 PolarHBondContact O-N 3.46Å; P40-L42 VanDerWaalsContact C-N 3.31Å; L42-D46 HydrophobicContact CB-CB 4.39Å; L42-D46 HydrophobicContact CD2-CB 4.12Å; L42-Q71 PolarHBondContact O-NE2 3.01Å
43	K	92.2	Very high	93.5	Very high	137 Å²	137	62.5 Å²	62.5	60%	0.596	35%	0.346	S	S	*	.			trans	-92.4	163.5	176.4	-61.5	175.8	-176.7	173.4	0	109.6	V45 D46 V47	K43-V45 PolarHBondContact O-N 2.65Å; K43-D46 PolarHBondContact N-OD2 3Å; K43-D46 WeakPolarHBondContact O-CA 3.36Å; K43-D46 WeakPolarHBondContact O-CB 3.46Å; K43-D46 PolarHBondContact O-N 3.24Å; K43-V47 PolarHBondContact O-N 2.76Å; K43-V47 VanDerWaalsContact O-N 3.07Å
44	H	92.3	Very high	93.5	Very high	39 Å²	39	64.9 Å²	64.9	18%	0.181	36%	0.363	C	S	.	.	H	α-helix	trans	-47.1	-34.7	171.5	66.6	-62.2	0	0	0	115.2	D46 V47 C48 W68 R75 Y95	H44-D46 VanDerWaalsContact C-N 3.34Å; H44-V47 PolarHBondContact O-N 3.44Å; H44-C48 PolarHBondContact O-N 2.83Å; H44-C48 PolarHBondContact O-SG 2.78Å; H44-W68 HydrophobicContact CB-CH2 4.3Å; H44-W68 HydrophobicContact CB-CZ3 4.02Å; H44-R75 PolarHBondContact CE1-NH1 3.01Å; H44-R75 PolarHBondContact ND1-NH1 3.43Å; H44-R75 PolarHBondContact NE2-NH1 3.23Å; H44-Y95 HydrophobicContact CB-CE1 3.85Å; H44-Y95 HydrophobicContact CB-CE2 4.4Å; H44-Y95 WeakPolarHBondContact CB-OH 3.28Å; H44-Y95 AromaticContact CD2-CE1 3.99Å; H44-Y95 PolarHBondContact CD2-OH 2.92Å; H44-Y95 AromaticContact CG-CZ 3.8Å; H44-Y95 PolarHBondContact ND1-OH 3.38Å
45	V	94.1	Very high	93.5	Very high	74 Å²	74	72.6 Å²	72.6	45%	0.448	40%	0.396	S	S	.	.	H	α-helix	trans	-64.1	-41.8	176	178.4	0	0	0	0	110.8	K43 C48 N49	K43-V45 PolarHBondContact O-N 2.65Å; V45-C48 PolarHBondContact O-N 3.36Å; V45-N49 WeakPolarHBondContact O-CB 3.33Å; V45-N49 PolarHBondContact O-N 3Å; V45-N49 PolarHBondContact O-ND2 2.66Å
46	D	95	Very high	93.6	Very high	61 Å²	61	71.8 Å²	71.8	33%	0.326	39%	0.388	S	S	.	.	H	α-helix	trans	-65.5	-42.2	177	-51.5	-52.2	0	0	0	110.5	L42 K43 H44 C48 N49 V50	L42-D46 HydrophobicContact CB-CB 4.39Å; L42-D46 HydrophobicContact CD2-CB 4.12Å; K43-D46 PolarHBondContact N-OD2 3Å; K43-D46 WeakPolarHBondContact O-CA 3.36Å; K43-D46 WeakPolarHBondContact O-CB 3.46Å; K43-D46 PolarHBondContact O-N 3.24Å; H44-D46 VanDerWaalsContact C-N 3.34Å; D46-C48 PolarHBondContact O-N 2.82Å; D46-N49 PolarHBondContact O-N 3.02Å; D46-V50 WeakPolarHBondContact O-CB 3.2Å; D46-V50 VanDerWaalsContact O-CG2 3.28Å; D46-V50 WeakPolarHBondContact O-CG2 3.43Å; D46-V50 PolarHBondContact O-N 3.02Å
47	V	94.3	Very high	93.6	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-60.1	-45	175.2	178.2	0	0	0	0	111.3	K43 H44 V50 S51 C61 V67 W68 Q71	K43-V47 PolarHBondContact O-N 2.76Å; K43-V47 VanDerWaalsContact O-N 3.07Å; H44-V47 PolarHBondContact O-N 3.44Å; V47-V50 PolarHBondContact O-N 3.11Å; V47-S51 PolarHBondContact O-N 3.44Å; V47-C61 HydrophobicContact CG1-CB 4.24Å; V47-V67 HydrophobicContact CG1-CG1 3.72Å; V47-V67 HydrophobicContact CG2-CG1 4.1Å; V47-W68 HydrophobicContact CG1-CZ2 3.93Å; V47-Q71 HydrophobicContact CG2-CG 4.13Å
48	C	93.5	Very high	93.6	Very high	50 Å²	50	72.4 Å²	72.4	34%	0.338	39%	0.389	S	S	.	.	H	α-helix	trans	-62.1	-42	174.3	-70.5	0	0	0	0	112.3	H44 V45 D46 V50 S51 C52	H44-C48 PolarHBondContact O-N 2.83Å; H44-C48 PolarHBondContact O-SG 2.78Å; V45-C48 PolarHBondContact O-N 3.36Å; D46-C48 PolarHBondContact O-N 2.82Å; C48-V50 VanDerWaalsContact C-N 3.35Å; C48-S51 PolarHBondContact O-N 3.49Å; C48-S51 PolarHBondContact O-OG 3.14Å; C48-C52 PolarHBondContact O-N 2.89Å; C48-C52 PolarHBondContact O-SG 3.45Å
49	N	95.9	Very high	93.5	Very high	97 Å²	97	75.4 Å²	75.4	52%	0.519	40%	0.404	S	S	.	.	H	α-helix	trans	-65.1	-41.4	178.7	-70.8	-24.9	0	0	0	111.3	V45 D46 C52 C53	V45-N49 WeakPolarHBondContact O-CB 3.33Å; V45-N49 PolarHBondContact O-N 3Å; V45-N49 PolarHBondContact O-ND2 2.66Å; D46-N49 PolarHBondContact O-N 3.02Å; N49-C52 PolarHBondContact O-N 3.13Å; N49-C53 PolarHBondContact O-SG 3.49Å
50	V	94.3	Very high	93.5	Very high	38 Å²	38	69.5 Å²	69.5	23%	0.23	38%	0.379	C	S	.	.	H	α-helix	trans	-65.3	-40.2	176.4	172.5	0	0	0	0	111.5	L37 D46 V47 C48 C52 C53 L57	L37-V50 HydrophobicContact CD2-CB 4.31Å; L37-V50 HydrophobicContact CD2-CG1 3.95Å; L37-V50 HydrophobicContact CD2-CG2 4.37Å; D46-V50 WeakPolarHBondContact O-CB 3.2Å; D46-V50 VanDerWaalsContact O-CG2 3.28Å; D46-V50 WeakPolarHBondContact O-CG2 3.43Å; D46-V50 PolarHBondContact O-N 3.02Å; V47-V50 PolarHBondContact O-N 3.11Å; C48-V50 VanDerWaalsContact C-N 3.35Å; V50-C52 PolarHBondContact O-N 2.85Å; V50-C53 WeakPolarHBondContact O-CB 3.19Å; V50-C53 PolarHBondContact O-N 2.89Å; V50-C53 VanDerWaalsContact O-N 3.08Å; V50-L57 HydrophobicContact CG1-CB 4.06Å; V50-L57 HydrophobicContact CG1-CD1 4.11Å; V50-L57 HydrophobicContact CG1-CD2 4.26Å; V50-L57 HydrophobicContact CG1-CG 4.36Å
51	S	94.1	Very high	93.6	Very high	10 Å²	10	65.3 Å²	65.3	7%	0.07	35%	0.351	C	S	.	.	H	α-helix	trans	-65.1	-27.4	178.1	76.6	0	0	0	0	112.4	V47 C48 C53 H58 H62	V47-S51 PolarHBondContact O-N 3.44Å; C48-S51 PolarHBondContact O-N 3.49Å; C48-S51 PolarHBondContact O-OG 3.14Å; S51-C53 VanDerWaalsContact C-N 3.3Å; S51-C53 PolarHBondContact O-N 3.07Å; S51-H58 WeakPolarHBondContact O-CB 3.38Å; S51-H62 PolarHBondContact OG-NE2 3.41Å
52	C	95.6	Very high	93.4	Very high	110 Å²	110	63.2 Å²	63.2	74%	0.743	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-9.4	174.3	-68.7	0	0	0	0	114.5	C48 N49 V50	C48-C52 PolarHBondContact O-N 2.89Å; C48-C52 PolarHBondContact O-SG 3.45Å; N49-C52 PolarHBondContact O-N 3.13Å; V50-C52 PolarHBondContact O-N 2.85Å
53	C	94.9	Very high	92.9	Very high	93 Å²	93	63.9 Å²	63.9	63%	0.628	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-42.7	-174.6	-66	0	0	0	0	113.8	N49 V50 S51 L57	N49-C53 PolarHBondContact O-SG 3.49Å; V50-C53 WeakPolarHBondContact O-CB 3.19Å; V50-C53 PolarHBondContact O-N 2.89Å; V50-C53 VanDerWaalsContact O-N 3.08Å; S51-C53 VanDerWaalsContact C-N 3.3Å; S51-C53 PolarHBondContact O-N 3.07Å; C53-L57 HydrophobicContact CB-CD1 4.05Å
54	C	94.3	Very high	92.1	Very high	53 Å²	53	65.1 Å²	65.1	36%	0.358	35%	0.353	S	S	.	.			trans	-164.2	163	178.2	73.6	0	0	0	0	112.1	R56 L57 H58	C54-R56 VanDerWaalsContact C-N 3.29Å; C54-R56 PolarHBondContact O-N 2.87Å; C54-L57 PolarHBondContact O-N 3.29Å; C54-L57 VanDerWaalsContact O-N 3.17Å; C54-H58 WeakPolarHBondContact O-CB 3.48Å; C54-H58 PolarHBondContact O-N 3.48Å
55	K	93.5	Very high	91.7	Very high	166 Å²	166	64.3 Å²	64.3	72%	0.722	36%	0.355	S	S	*	.	H	α-helix	trans	-53.2	-42.4	-180	-175.4	177.5	178.6	-179.9	0	113.2	L57 H58 D59	K55-L57 PolarHBondContact O-N 2.94Å; K55-H58 WeakPolarHBondContact O-CB 3.46Å; K55-H58 PolarHBondContact O-N 3.05Å; K55-D59 WeakPolarHBondContact O-CB 3.17Å; K55-D59 PolarHBondContact O-N 3.06Å
56	R	93.9	Very high	91.4	Very high	104 Å²	104	64.1 Å²	64.1	39%	0.392	35%	0.348	S	S	.	.	H	α-helix	trans	-63.4	-45.6	-179.5	-178.2	172.9	175.7	86.8	-7.1	112.2	T26 L28 C54 H58 D59 V60	T26-R56 VanDerWaalsContact O-CD 3.28Å; T26-R56 WeakPolarHBondContact O-CD 3.39Å; T26-R56 PolarHBondContact O-NE 3.3Å; L28-R56 PolarHBondContact O-NH2 3.45Å; C54-R56 VanDerWaalsContact C-N 3.29Å; C54-R56 PolarHBondContact O-N 2.87Å; R56-H58 VanDerWaalsContact C-N 3.35Å; R56-D59 PolarHBondContact O-N 3.27Å; R56-V60 WeakPolarHBondContact O-CG2 3.48Å; R56-V60 PolarHBondContact O-N 2.92Å
57	L	93.6	Very high	91.3	Very high	14 Å²	14	61.2 Å²	61.2	7%	0.073	33%	0.333	C	S	.	.	H	α-helix	trans	-71.1	-34.4	179.9	-68.1	171	0	0	0	111.5	T26 L33 V50 C53 C54 K55 V60 C61	T26-L57 HydrophobicContact CG2-CD1 4.25Å; T26-L57 HydrophobicContact CG2-CD2 4.48Å; T26-L57 HydrophobicContact CG2-CG 4.15Å; L33-L57 HydrophobicContact CD1-CD2 4.48Å; L33-L57 HydrophobicContact CD2-CD2 4.39Å; V50-L57 HydrophobicContact CG1-CB 4.06Å; V50-L57 HydrophobicContact CG1-CD1 4.11Å; V50-L57 HydrophobicContact CG1-CD2 4.26Å; V50-L57 HydrophobicContact CG1-CG 4.36Å; C53-L57 HydrophobicContact CB-CD1 4.05Å; C54-L57 PolarHBondContact O-N 3.29Å; C54-L57 VanDerWaalsContact O-N 3.17Å; K55-L57 PolarHBondContact O-N 2.94Å; L57-V60 PolarHBondContact O-N 3.33Å; L57-C61 WeakPolarHBondContact O-CB 3.34Å; L57-C61 PolarHBondContact O-N 3.2Å; L57-C61 PolarHBondContact O-SG 3.25Å
58	H	93.6	Very high	91.3	Very high	85 Å²	85	61.6 Å²	61.6	39%	0.394	33%	0.334	S	S	.	.	H	α-helix	trans	-55.1	-52.4	167.8	-179.3	-83.1	0	0	0	111.3	S51 C54 K55 R56 V60 C61 H62	S51-H58 WeakPolarHBondContact O-CB 3.38Å; C54-H58 WeakPolarHBondContact O-CB 3.48Å; C54-H58 PolarHBondContact O-N 3.48Å; K55-H58 WeakPolarHBondContact O-CB 3.46Å; K55-H58 PolarHBondContact O-N 3.05Å; R56-H58 VanDerWaalsContact C-N 3.35Å; H58-V60 VanDerWaalsContact C-N 3.29Å; H58-V60 PolarHBondContact O-N 3.38Å; H58-C61 PolarHBondContact O-N 2.92Å; H58-C61 VanDerWaalsContact O-N 3.13Å; H58-H62 AromaticContact CD2-CD2 3.55Å; H58-H62 AromaticContact CD2-NE2 3.99Å; H58-H62 AromaticContact CE1-CD2 3.77Å; H58-H62 AromaticContact CG-CD2 3.88Å; H58-H62 AromaticContact NE2-CD2 3.49Å; H58-H62 PolarHBondContact NE2-CD2 3.26Å; H58-H62 AromaticContact NE2-NE2 3.99Å; H58-H62 WeakPolarHBondContact O-CB 3.45Å; H58-H62 PolarHBondContact O-CD2 3.32Å; H58-H62 PolarHBondContact O-N 3.04Å
59	D	92.7	Very high	91.2	Very high	82 Å²	82	61.7 Å²	61.7	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-34.5	-178.4	-64	-17	0	0	0	112	K55 R56 G63	K55-D59 WeakPolarHBondContact O-CB 3.17Å; K55-D59 PolarHBondContact O-N 3.06Å; R56-D59 PolarHBondContact O-N 3.27Å; D59-G63 WeakPolarHBondContact O-CA 3.33Å; D59-G63 PolarHBondContact O-N 3.42Å
60	V	92.9	Very high	91	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-68.2	-43.4	173.3	176.5	0	0	0	0	111.7	T30 L33 E34 L37 R56 L57 H58 H62	T30-V60 HydrophobicContact CG2-CG2 4.25Å; L33-V60 HydrophobicContact CB-CG1 3.84Å; L33-V60 HydrophobicContact CB-CG2 4.28Å; L33-V60 HydrophobicContact CD1-CG2 3.96Å; E34-V60 HydrophobicContact CG-CG1 3.86Å; L37-V60 HydrophobicContact CD1-CG1 3.78Å; R56-V60 WeakPolarHBondContact O-CG2 3.48Å; R56-V60 PolarHBondContact O-N 2.92Å; L57-V60 PolarHBondContact O-N 3.33Å; H58-V60 VanDerWaalsContact C-N 3.29Å; H58-V60 PolarHBondContact O-N 3.38Å; V60-H62 VanDerWaalsContact C-N 3.33Å; V60-H62 PolarHBondContact O-N 3.03Å
61	C	91.6	Very high	90.9	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.007	31%	0.306	C	S	.	.	H	α-helix	trans	-67.4	-34.2	-179.5	-65.8	0	0	0	0	112.3	V47 L57 H58 W68	V47-C61 HydrophobicContact CG1-CB 4.24Å; L57-C61 WeakPolarHBondContact O-CB 3.34Å; L57-C61 PolarHBondContact O-N 3.2Å; L57-C61 PolarHBondContact O-SG 3.25Å; H58-C61 PolarHBondContact O-N 2.92Å; H58-C61 VanDerWaalsContact O-N 3.13Å; C61-W68 PolarHBondContact O-NE1 3.47Å
62	H	87.6	Confident	90.8	Very high	61 Å²	61	57.4 Å²	57.4	28%	0.282	30%	0.303	S	S	.	.	H	α-helix	trans	-109.9	-11.7	-171	-63.8	-73.7	0	0	0	114.7	S51 H58 V60 W68 L92	S51-H62 PolarHBondContact OG-NE2 3.41Å; H58-H62 AromaticContact CD2-CD2 3.55Å; H58-H62 AromaticContact CD2-NE2 3.99Å; H58-H62 AromaticContact CE1-CD2 3.77Å; H58-H62 AromaticContact CG-CD2 3.88Å; H58-H62 AromaticContact NE2-CD2 3.49Å; H58-H62 PolarHBondContact NE2-CD2 3.26Å; H58-H62 AromaticContact NE2-NE2 3.99Å; H58-H62 WeakPolarHBondContact O-CB 3.45Å; H58-H62 PolarHBondContact O-CD2 3.32Å; H58-H62 PolarHBondContact O-N 3.04Å; V60-H62 VanDerWaalsContact C-N 3.33Å; V60-H62 PolarHBondContact O-N 3.03Å; H62-W68 AromaticContact CE1-NE1 3.85Å; H62-W68 AromaticContact ND1-NE1 3.76Å; H62-L92 VanDerWaalsContact ND1-CD2 3.27Å; H62-L92 WeakPolarHBondContact ND1-CD2 3.47Å
63	G	80.4	Confident	90.6	Very high	59 Å²	59	55.9 Å²	55.9	61%	0.608	28%	0.284	S	S	*	.	S	Bend	trans	-77	-53.6	-166.1	0	0	0	0	0	115.9	D59	D59-G63 WeakPolarHBondContact O-CA 3.33Å; D59-G63 PolarHBondContact O-N 3.42Å
64	R	75.8	Confident	90.3	Very high	164 Å²	164	55.4 Å²	55.4	62%	0.619	27%	0.274	S	S	*	.	S	Bend	trans	-106.3	4.2	-173.1	-66.6	-175.3	177	170.6	1.6	114.4	E31 K66	E31-R64 IonicContact OE1-CZ 3.87Å; E31-R64 IonicContact OE1-NH1 3.7Å; E31-R64 PolarHBondContact OE1-NH1 2.94Å; E31-R64 IonicContact OE1-NH2 2.75Å; R64-K66 PolarHBondContact O-N 3.31Å
65	G	84.2	Confident	90.1	Very high	21 Å²	21	57.5 Å²	57.5	22%	0.216	27%	0.274	C	S	.	.	S	Bend	trans	71.1	-19.7	-179.8	0	0	0	0	0	116	V67 W68 E69	G65-V67 VanDerWaalsContact C-N 3.34Å; G65-V67 PolarHBondContact O-N 3.27Å; G65-W68 PolarHBondContact O-N 3.01Å; G65-W68 VanDerWaalsContact O-N 3.1Å; G65-E69 WeakPolarHBondContact O-CB 3.49Å; G65-E69 PolarHBondContact O-N 3.21Å
66	K	88.8	Confident	90.1	Very high	70 Å²	70	50 Å²	50	30%	0.304	24%	0.241	S	C	.	.	H	α-helix	trans	-53.6	-41.2	-176.1	-171.5	-175.6	178.4	-175	0	114.4	E34 R64 H70	E34-K66 HydrophobicContact CB-CD 4.27Å; E34-K66 WeakPolarHBondContact OE2-CD 3.49Å; E34-K66 IonicContact OE2-NZ 3.44Å; E34-K66 PolarHBondContact OE2-NZ 3.36Å; R64-K66 PolarHBondContact O-N 3.31Å; K66-H70 WeakPolarHBondContact O-CB 3.34Å; K66-H70 PolarHBondContact O-N 3.46Å
67	V	92.5	Very high	89.9	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-46	178.9	-179.8	0	0	0	0	110.6	E34 L37 V47 G65 H70 Q71	E34-V67 HydrophobicContact CB-CG2 4.46Å; E34-V67 HydrophobicContact CG-CG2 4.25Å; L37-V67 HydrophobicContact CB-CG1 4.01Å; L37-V67 HydrophobicContact CB-CG2 4.06Å; L37-V67 HydrophobicContact CD1-CG2 4.31Å; V47-V67 HydrophobicContact CG1-CG1 3.72Å; V47-V67 HydrophobicContact CG2-CG1 4.1Å; G65-V67 VanDerWaalsContact C-N 3.34Å; G65-V67 PolarHBondContact O-N 3.27Å; V67-H70 PolarHBondContact O-N 3.43Å; V67-Q71 WeakPolarHBondContact O-CG 3.25Å; V67-Q71 PolarHBondContact O-N 3.08Å
68	W	93.6	Very high	89.5	Confident	7 Å²	7	53.6 Å²	53.6	3%	0.027	26%	0.264	C	S	.	.	H	α-helix	trans	-73.6	-33	179.2	-73.6	103.1	0	0	0	113.1	H44 V47 C61 H62 G65 H70 Q71 Y72 W91 L92 Y95	H44-W68 HydrophobicContact CB-CH2 4.3Å; H44-W68 HydrophobicContact CB-CZ3 4.02Å; V47-W68 HydrophobicContact CG1-CZ2 3.93Å; C61-W68 PolarHBondContact O-NE1 3.47Å; H62-W68 AromaticContact CE1-NE1 3.85Å; H62-W68 AromaticContact ND1-NE1 3.76Å; G65-W68 PolarHBondContact O-N 3.01Å; G65-W68 VanDerWaalsContact O-N 3.1Å; W68-H70 VanDerWaalsContact C-N 3.33Å; W68-Q71 HydrophobicContact CE3-CB 4.39Å; W68-Q71 PolarHBondContact O-N 3.35Å; W68-Y72 VanDerWaalsContact O-CB 3.24Å; W68-Y72 WeakPolarHBondContact O-CB 3.5Å; W68-Y72 PolarHBondContact O-N 3.48Å; W68-W91 HydrophobicContact CB-CB 3.97Å; W68-L92 HydrophobicContact CB-CB 4.3Å; W68-L92 HydrophobicContact CD2-CB 4.42Å; W68-L92 HydrophobicContact CD2-CD1 3.6Å; W68-L92 HydrophobicContact CE3-CD1 4.15Å; W68-L92 HydrophobicContact CG-CB 3.94Å; W68-L92 HydrophobicContact CG-CD1 3.98Å; W68-L92 HydrophobicContact CH2-CD1 4.23Å; W68-L92 HydrophobicContact CZ2-CD1 3.71Å; W68-L92 HydrophobicContact CZ3-CD1 4.43Å; W68-Y95 AromaticContact CE3-CD1 3.91Å; W68-Y95 HydrophobicContact CE3-CD1 3.91Å; W68-Y95 AromaticContact CE3-CD2 3.99Å; W68-Y95 HydrophobicContact CE3-CD2 3.99Å; W68-Y95 HydrophobicContact CE3-CE1 4.5Å; W68-Y95 AromaticContact CE3-CG 3.65Å; W68-Y95 HydrophobicContact CE3-CG 3.65Å; W68-Y95 AromaticContact CZ3-CD1 3.51Å; W68-Y95 HydrophobicContact CZ3-CD1 3.51Å; W68-Y95 HydrophobicContact CZ3-CD2 4.2Å; W68-Y95 AromaticContact CZ3-CE1 3.8Å; W68-Y95 HydrophobicContact CZ3-CE1 3.8Å; W68-Y95 HydrophobicContact CZ3-CE2 4.45Å; W68-Y95 AromaticContact CZ3-CG 3.76Å; W68-Y95 HydrophobicContact CZ3-CG 3.76Å
69	E	91.6	Very high	89.3	Confident	53 Å²	53	49.7 Å²	49.7	25%	0.248	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-48	169.1	-177.4	179.1	-172.5	0	0	110.6	G65 Y72 K73 W91	G65-E69 WeakPolarHBondContact O-CB 3.49Å; G65-E69 PolarHBondContact O-N 3.21Å; E69-Y72 PolarHBondContact O-N 3.15Å; E69-K73 HydrophobicContact CG-CD 3.98Å; E69-K73 HydrophobicContact CG-CG 4.46Å; E69-K73 WeakPolarHBondContact O-CB 3.29Å; E69-K73 VanDerWaalsContact O-CG 3.23Å; E69-K73 WeakPolarHBondContact O-CG 3.35Å; E69-K73 PolarHBondContact O-N 3.16Å; E69-K73 VanDerWaalsContact OE1-CE 3.29Å; E69-K73 WeakPolarHBondContact OE1-CE 3.29Å; E69-K73 IonicContact OE1-NZ 2.56Å; E69-K73 PolarHBondContact OE1-NZ 2.96Å; E69-W91 HydrophobicContact CB-CB 4.15Å; E69-W91 HydrophobicContact CB-CD2 3.77Å; E69-W91 HydrophobicContact CB-CG 3.55Å; E69-W91 HydrophobicContact CG-CD2 3.8Å; E69-W91 VanDerWaalsContact CG-CE2 3.48Å; E69-W91 HydrophobicContact CG-CE3 4.44Å; E69-W91 HydrophobicContact CG-CG 4.1Å; E69-W91 HydrophobicContact CG-CZ2 3.87Å
70	H	91.7	Very high	88.9	Confident	47 Å²	47	49.6 Å²	49.6	22%	0.218	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-47.7	177.8	177.7	84.2	0	0	0	111.9	C38 K66 V67 W68 Y72 K73 I74	C38-H70 VanDerWaalsContact CA-CD2 3.49Å; C38-H70 WeakPolarHBondContact CA-CD2 3.41Å; C38-H70 HydrophobicContact CB-CB 4.18Å; C38-H70 PolarHBondContact O-CE1 3.07Å; C38-H70 PolarHBondContact O-NE2 3.37Å; C38-H70 VanDerWaalsContact SG-CB 3.53Å; K66-H70 WeakPolarHBondContact O-CB 3.34Å; K66-H70 PolarHBondContact O-N 3.46Å; V67-H70 PolarHBondContact O-N 3.43Å; W68-H70 VanDerWaalsContact C-N 3.33Å; H70-Y72 VanDerWaalsContact C-N 3.31Å; H70-Y72 PolarHBondContact O-N 2.92Å; H70-K73 PolarHBondContact O-N 3.36Å; H70-I74 WeakPolarHBondContact NE2-CD1 3.26Å; H70-I74 PolarHBondContact O-N 3.38Å
71	Q	92.9	Very high	88.6	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-41.5	176.4	-70.4	-65.8	-39.3	0	0	111.8	L42 V47 V67 W68 R75 Y95	L42-Q71 PolarHBondContact O-NE2 3.01Å; V47-Q71 HydrophobicContact CG2-CG 4.13Å; V67-Q71 WeakPolarHBondContact O-CG 3.25Å; V67-Q71 PolarHBondContact O-N 3.08Å; W68-Q71 HydrophobicContact CE3-CB 4.39Å; W68-Q71 PolarHBondContact O-N 3.35Å; Q71-R75 WeakPolarHBondContact O-CB 3.26Å; Q71-R75 PolarHBondContact O-N 3.16Å; Q71-R75 VanDerWaalsContact O-N 3.1Å; Q71-Y95 HydrophobicContact CB-CD2 4.2Å; Q71-Y95 HydrophobicContact CB-CE2 3.96Å
72	Y	91.9	Very high	88.2	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-49.8	175.4	-172.9	-77.4	0	0	0	110.9	W68 E69 H70 I74 R75 W76 L79 Y83 W91 E94 Y95 R98	W68-Y72 VanDerWaalsContact O-CB 3.24Å; W68-Y72 WeakPolarHBondContact O-CB 3.5Å; W68-Y72 PolarHBondContact O-N 3.48Å; E69-Y72 PolarHBondContact O-N 3.15Å; H70-Y72 VanDerWaalsContact C-N 3.31Å; H70-Y72 PolarHBondContact O-N 2.92Å; Y72-I74 PolarHBondContact O-N 3.06Å; Y72-R75 PolarHBondContact O-N 3.12Å; Y72-R75 VanDerWaalsContact O-N 3.16Å; Y72-W76 HydrophobicContact CD1-CE3 4.35Å; Y72-W76 AromaticContact CD2-CE3 3.51Å; Y72-W76 HydrophobicContact CD2-CE3 3.51Å; Y72-W76 AromaticContact CD2-CZ3 3.63Å; Y72-W76 HydrophobicContact CD2-CZ3 3.63Å; Y72-W76 HydrophobicContact CE1-CB 4.29Å; Y72-W76 HydrophobicContact CE1-CE3 4.42Å; Y72-W76 AromaticContact CE2-CE3 3.63Å; Y72-W76 HydrophobicContact CE2-CE3 3.63Å; Y72-W76 AromaticContact CE2-CZ3 3.92Å; Y72-W76 HydrophobicContact CE2-CZ3 3.92Å; Y72-W76 AromaticContact CG-CE3 3.89Å; Y72-W76 HydrophobicContact CG-CE3 3.89Å; Y72-W76 HydrophobicContact CG-CZ3 4.3Å; Y72-W76 PolarHBondContact O-N 2.97Å; Y72-L79 HydrophobicContact CE1-CB 4.27Å; Y72-L79 WeakPolarHBondContact OH-CD1 3.39Å; Y72-Y83 AromaticContact CE1-CE2 3.92Å; Y72-Y83 HydrophobicContact CE1-CE2 3.92Å; Y72-Y83 AromaticContact CZ-CE2 3.92Å; Y72-Y83 WeakPolarHBondContact OH-CE2 3.47Å; Y72-Y83 PolarHBondContact OH-OH 2.96Å; Y72-W91 HydrophobicContact CD1-CE3 4.18Å; Y72-W91 AromaticContact CD1-CZ3 3.76Å; Y72-W91 HydrophobicContact CD1-CZ3 3.76Å; Y72-W91 HydrophobicContact CD2-CE3 4.43Å; Y72-W91 HydrophobicContact CE1-CZ3 4.16Å; Y72-W91 AromaticContact CG-CE3 3.98Å; Y72-W91 HydrophobicContact CG-CE3 3.98Å; Y72-W91 HydrophobicContact CG-CZ3 4.05Å; Y72-E94 HydrophobicContact CD2-CB 4.47Å; Y72-E94 HydrophobicContact CD2-CG 4.29Å; Y72-E94 HydrophobicContact CE2-CB 4.33Å; Y72-E94 HydrophobicContact CE2-CG 3.7Å; Y72-Y95 HydrophobicContact CD2-CD2 4.49Å; Y72-R98 HydrophobicContact CE2-CB 4.25Å; Y72-R98 HydrophobicContact CE2-CG 4.5Å
73	K	90.3	Very high	88	Confident	78 Å²	78	62.1 Å²	62.1	34%	0.339	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-40.2	-178	-78.1	179.1	173.3	173.2	0	113	E69 H70 Q80	E69-K73 HydrophobicContact CG-CD 3.98Å; E69-K73 HydrophobicContact CG-CG 4.46Å; E69-K73 WeakPolarHBondContact O-CB 3.29Å; E69-K73 VanDerWaalsContact O-CG 3.23Å; E69-K73 WeakPolarHBondContact O-CG 3.35Å; E69-K73 PolarHBondContact O-N 3.16Å; E69-K73 VanDerWaalsContact OE1-CE 3.29Å; E69-K73 WeakPolarHBondContact OE1-CE 3.29Å; E69-K73 IonicContact OE1-NZ 2.56Å; E69-K73 PolarHBondContact OE1-NZ 2.96Å; H70-K73 PolarHBondContact O-N 3.36Å; K73-Q80 VanDerWaalsContact CB-NE2 3.25Å; K73-Q80 HydrophobicContact CG-CG 4.18Å; K73-Q80 PolarHBondContact O-NE2 2.67Å
74	I	90.1	Very high	87.8	Confident	83 Å²	83	68.2 Å²	68.2	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-66	-44.4	175	-74.8	-172.3	0	0	0	110.8	P40 H70 Y72	P40-I74 HydrophobicContact CB-CD1 4.08Å; P40-I74 HydrophobicContact CG-CD1 4.38Å; H70-I74 WeakPolarHBondContact NE2-CD1 3.26Å; H70-I74 PolarHBondContact O-N 3.38Å; Y72-I74 PolarHBondContact O-N 3.06Å
75	R	89.6	Confident	87.3	Confident	96 Å²	96	69.8 Å²	69.8	36%	0.362	31%	0.309	S	S	.	.	H	α-helix	trans	-76.1	-36.8	-172.8	-169.1	170.1	-178.3	143.9	3.5	113	H44 Q71 Y72 Y95 H99	H44-R75 PolarHBondContact CE1-NH1 3.01Å; H44-R75 PolarHBondContact ND1-NH1 3.43Å; H44-R75 PolarHBondContact NE2-NH1 3.23Å; Q71-R75 WeakPolarHBondContact O-CB 3.26Å; Q71-R75 PolarHBondContact O-N 3.16Å; Q71-R75 VanDerWaalsContact O-N 3.1Å; Y72-R75 PolarHBondContact O-N 3.12Å; Y72-R75 VanDerWaalsContact O-N 3.16Å; R75-Y95 HydrophobicContact CB-CE2 4.49Å; R75-Y95 VanDerWaalsContact CD-OH 3.26Å; R75-Y95 WeakPolarHBondContact CD-OH 3.39Å; R75-Y95 PolarHBondContact NH1-OH 3.18Å; R75-H99 PolarHBondContact NH2-ND1 2.86Å
76	W	92	Very high	86.2	Confident	8 Å²	8	76.5 Å²	76.5	3%	0.03	34%	0.34	C	S	.	.			trans	-131.8	65.5	-174.9	-57.8	-68.6	0	0	0	112.6	Y72 R78 L79 Y95 R98 H99 D146	Y72-W76 HydrophobicContact CD1-CE3 4.35Å; Y72-W76 AromaticContact CD2-CE3 3.51Å; Y72-W76 HydrophobicContact CD2-CE3 3.51Å; Y72-W76 AromaticContact CD2-CZ3 3.63Å; Y72-W76 HydrophobicContact CD2-CZ3 3.63Å; Y72-W76 HydrophobicContact CE1-CB 4.29Å; Y72-W76 HydrophobicContact CE1-CE3 4.42Å; Y72-W76 AromaticContact CE2-CE3 3.63Å; Y72-W76 HydrophobicContact CE2-CE3 3.63Å; Y72-W76 AromaticContact CE2-CZ3 3.92Å; Y72-W76 HydrophobicContact CE2-CZ3 3.92Å; Y72-W76 AromaticContact CG-CE3 3.89Å; Y72-W76 HydrophobicContact CG-CE3 3.89Å; Y72-W76 HydrophobicContact CG-CZ3 4.3Å; Y72-W76 PolarHBondContact O-N 2.97Å; W76-R78 VanDerWaalsContact C-N 3.27Å; W76-R78 PolarHBondContact O-N 3.2Å; W76-L79 HydrophobicContact CB-CB 4.29Å; W76-L79 HydrophobicContact CB-CD1 3.94Å; W76-L79 HydrophobicContact CB-CG 4.09Å; W76-L79 HydrophobicContact CG-CD1 4.24Å; W76-L79 PolarHBondContact O-N 3.3Å; W76-Y95 HydrophobicContact CE3-CD2 4.44Å; W76-Y95 HydrophobicContact CH2-CD1 4.43Å; W76-Y95 HydrophobicContact CH2-CD2 4.08Å; W76-Y95 HydrophobicContact CH2-CE1 4.33Å; W76-Y95 AromaticContact CH2-CE2 3.95Å; W76-Y95 HydrophobicContact CH2-CE2 3.95Å; W76-Y95 HydrophobicContact CH2-CG 4.28Å; W76-Y95 AromaticContact CZ3-CD2 3.47Å; W76-Y95 HydrophobicContact CZ3-CD2 3.47Å; W76-Y95 VanDerWaalsContact CZ3-CD2 3.47Å; W76-Y95 AromaticContact CZ3-CE2 3.61Å; W76-Y95 HydrophobicContact CZ3-CE2 3.61Å; W76-Y95 AromaticContact CZ3-CG 3.94Å; W76-Y95 HydrophobicContact CZ3-CG 3.94Å; W76-R98 HydrophobicContact CD2-CG 3.71Å; W76-R98 VanDerWaalsContact CE2-CG 3.48Å; W76-R98 HydrophobicContact CE3-CB 4.49Å; W76-R98 HydrophobicContact CE3-CG 3.92Å; W76-R98 HydrophobicContact CG-CG 4.37Å; W76-R98 HydrophobicContact CH2-CB 3.96Å; W76-R98 HydrophobicContact CH2-CG 3.72Å; W76-R98 HydrophobicContact CZ2-CB 4.22Å; W76-R98 HydrophobicContact CZ2-CG 3.5Å; W76-R98 HydrophobicContact CZ3-CB 4.11Å; W76-R98 HydrophobicContact CZ3-CG 3.92Å; W76-H99 HydrophobicContact CH2-CB 4.13Å; W76-D146 VanDerWaalsContact CD1-OD1 3.28Å
77	P	90	Very high	85.4	Confident	78 Å²	78	78.3 Å²	78.3	51%	0.506	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-61.9	-32.1	-176.3	24.2	-34.4	0	0	0	113.4	L79 Q80	P77-L79 PolarHBondContact O-N 3.4Å; P77-Q80 WeakPolarHBondContact O-CB 3.43Å; P77-Q80 WeakPolarHBondContact O-CG 3.21Å; P77-Q80 PolarHBondContact O-N 3.08Å
78	R	86.6	Confident	84.4	Confident	117 Å²	117	84.5 Å²	84.5	44%	0.442	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-68.4	-22.2	-179.6	-67.4	-179.9	178.6	169.9	-0	113.8	W76 Q80 R81	W76-R78 VanDerWaalsContact C-N 3.27Å; W76-R78 PolarHBondContact O-N 3.2Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; R78-R81 WeakPolarHBondContact O-CG 3.37Å; R78-R81 PolarHBondContact O-NE 2.94Å; R78-R81 VanDerWaalsContact O-NE 3.12Å
79	L	88.1	Confident	83.8	Confident	3 Å²	3	85.8 Å²	85.8	2%	0.016	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-84.8	-14.1	-177.7	-60.5	-171.7	0	0	0	112.4	Y72 W76 P77 R81 F82 Y83 R98 H142 F143 D146	Y72-L79 HydrophobicContact CE1-CB 4.27Å; Y72-L79 WeakPolarHBondContact OH-CD1 3.39Å; W76-L79 HydrophobicContact CB-CB 4.29Å; W76-L79 HydrophobicContact CB-CD1 3.94Å; W76-L79 HydrophobicContact CB-CG 4.09Å; W76-L79 HydrophobicContact CG-CD1 4.24Å; W76-L79 PolarHBondContact O-N 3.3Å; P77-L79 PolarHBondContact O-N 3.4Å; L79-R81 PolarHBondContact O-N 2.74Å; L79-R81 VanDerWaalsContact O-N 3.11Å; L79-F82 HydrophobicContact CD2-CD2 4.22Å; L79-F82 HydrophobicContact CD2-CE2 4.16Å; L79-F82 PolarHBondContact O-N 3.14Å; L79-Y83 HydrophobicContact CB-CE2 4.42Å; L79-Y83 VanDerWaalsContact O-CD2 3.25Å; L79-Y83 WeakPolarHBondContact O-CD2 3.5Å; L79-Y83 WeakPolarHBondContact O-CE2 3.47Å; L79-R98 HydrophobicContact CD1-CG 4.48Å; L79-H142 HydrophobicContact CD2-CB 4.5Å; L79-F143 HydrophobicContact CD1-CD1 3.76Å; L79-F143 HydrophobicContact CD1-CE1 3.91Å; L79-D146 HydrophobicContact CD1-CB 4.32Å; L79-D146 HydrophobicContact CD2-CB 3.73Å; L79-D146 HydrophobicContact CG-CB 4.23Å
80	Q	85.8	Confident	83.7	Confident	79 Å²	79	87.9 Å²	87.9	37%	0.369	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-57.1	-31.3	-179.5	-64.6	-177.7	14.6	0	0	113.2	K73 P77 R78 F82 Y83	K73-Q80 VanDerWaalsContact CB-NE2 3.25Å; K73-Q80 HydrophobicContact CG-CG 4.18Å; K73-Q80 PolarHBondContact O-NE2 2.67Å; P77-Q80 WeakPolarHBondContact O-CB 3.43Å; P77-Q80 WeakPolarHBondContact O-CG 3.21Å; P77-Q80 PolarHBondContact O-N 3.08Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; Q80-F82 PolarHBondContact O-N 3.38Å; Q80-Y83 PolarHBondContact O-N 2.56Å; Q80-Y83 VanDerWaalsContact O-N 3.14Å
81	R	85.7	Confident	83.6	Confident	194 Å²	194	87.1 Å²	87.1	73%	0.732	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-62.5	-19.9	178.6	66.7	-175.5	154.8	171.3	0.8	114.5	R78 L79	R78-R81 WeakPolarHBondContact O-CG 3.37Å; R78-R81 PolarHBondContact O-NE 2.94Å; R78-R81 VanDerWaalsContact O-NE 3.12Å; L79-R81 PolarHBondContact O-N 2.74Å; L79-R81 VanDerWaalsContact O-N 3.11Å
82	F	83.6	Confident	83.5	Confident	96 Å²	96	88.9 Å²	88.9	42%	0.421	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-88.1	-9.3	179.5	-61.5	-72.1	0	0	0	113.1	L79 Q80 H142	L79-F82 HydrophobicContact CD2-CD2 4.22Å; L79-F82 HydrophobicContact CD2-CE2 4.16Å; L79-F82 PolarHBondContact O-N 3.14Å; Q80-F82 PolarHBondContact O-N 3.38Å; F82-H142 HydrophobicContact CD2-CB 4.23Å; F82-H142 AromaticContact CD2-CD2 3.63Å; F82-H142 AromaticContact CD2-CG 3.84Å; F82-H142 HydrophobicContact CE1-CB 4.38Å; F82-H142 HydrophobicContact CE2-CB 3.59Å; F82-H142 AromaticContact CE2-CD2 3.89Å; F82-H142 AromaticContact CE2-CG 3.72Å; F82-H142 HydrophobicContact CZ-CB 3.68Å; F82-H142 AromaticContact CZ-CG 3.99Å
83	Y	83.1	Confident	83.4	Confident	43 Å²	43	97.2 Å²	97.2	17%	0.169	45%	0.452	C	S	.	.	S	Bend	trans	-106.3	129.1	178.5	-57.8	-87.2	0	0	0	110	Y72 L79 Q80 W91 E94 F143	Y72-Y83 AromaticContact CE1-CE2 3.92Å; Y72-Y83 HydrophobicContact CE1-CE2 3.92Å; Y72-Y83 AromaticContact CZ-CE2 3.92Å; Y72-Y83 WeakPolarHBondContact OH-CE2 3.47Å; Y72-Y83 PolarHBondContact OH-OH 2.96Å; L79-Y83 HydrophobicContact CB-CE2 4.42Å; L79-Y83 VanDerWaalsContact O-CD2 3.25Å; L79-Y83 WeakPolarHBondContact O-CD2 3.5Å; L79-Y83 WeakPolarHBondContact O-CE2 3.47Å; Q80-Y83 PolarHBondContact O-N 2.56Å; Q80-Y83 VanDerWaalsContact O-N 3.14Å; Y83-W91 HydrophobicContact CD1-CH2 4.28Å; Y83-W91 HydrophobicContact CD1-CZ3 4.5Å; Y83-W91 HydrophobicContact CD2-CH2 4.4Å; Y83-W91 HydrophobicContact CG-CH2 4.04Å; Y83-W91 HydrophobicContact CG-CZ3 4.45Å; Y83-E94 HydrophobicContact CE1-CG 4.11Å; Y83-E94 WeakPolarHBondContact OH-CG 3.43Å; Y83-E94 PolarHBondContact OH-OE1 3.03Å; Y83-F143 WeakPolarHBondContact OH-CZ 3.36Å
84	R	75.8	Confident	83.4	Confident	186 Å²	186	95.5 Å²	95.5	70%	0.702	45%	0.445	S	S	*	.			trans	-77.9	141.9	174.6	-65.7	-177.3	-179.4	159.3	-5.8	110.1	N86 E87	R84-N86 PolarHBondContact O-N 3.46Å; R84-E87 HydrophobicContact CB-CG 4.16Å; R84-E87 WeakPolarHBondContact CD-OE1 3.46Å; R84-E87 IonicContact NH1-OE1 2.76Å; R84-E87 PolarHBondContact O-N 3.17Å
85	Q	66.4	Low	83.5	Confident	197 Å²	197	91.9 Å²	91.9	92%	0.921	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.3	-179.4	-70.9	-177.9	-8	0	0	114.3
86	N	60.5	Low	83.6	Confident	162 Å²	162	90.3 Å²	90.3	87%	0.866	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	2	-175.7	-68.3	-5.6	0	0	0	114.3	R84	R84-N86 PolarHBondContact O-N 3.46Å
87	E	71.3	Confident	83.5	Confident	108 Å²	108	91.9 Å²	91.9	51%	0.505	43%	0.434	S	S	.	.	S	Bend	trans	-89.9	129.1	178.2	-78.5	172.8	-175.1	0	0	110.8	R84 C89	R84-E87 HydrophobicContact CB-CG 4.16Å; R84-E87 WeakPolarHBondContact CD-OE1 3.46Å; R84-E87 IonicContact NH1-OE1 2.76Å; R84-E87 PolarHBondContact O-N 3.17Å; E87-C89 PolarHBondContact O-N 2.85Å
88	S	72	Confident	83.6	Confident	131 Å²	131	88.1 Å²	88.1	92%	0.916	41%	0.41	S	S	*	.			trans	-72.6	98.4	172.7	59.8	0	0	0	0	109.6
89	C	81.4	Confident	83.9	Confident	35 Å²	35	85.1 Å²	85.1	24%	0.236	40%	0.401	C	S	.	.			trans	-94.7	136.5	177.6	-170.8	0	0	0	0	111.2	E87 W91	E87-C89 PolarHBondContact O-N 2.85Å; C89-W91 VanDerWaalsContact C-N 3.32Å; C89-W91 HydrophobicContact CB-CD2 4.15Å; C89-W91 HydrophobicContact CB-CZ2 4.03Å; C89-W91 VanDerWaalsContact O-CD1 3.29Å; C89-W91 PolarHBondContact O-N 3.17Å
90	D	89.1	Confident	84	Confident	96 Å²	96	93.4 Å²	93.4	51%	0.513	43%	0.432	S	S	.	.			trans	-77.8	85.5	165.8	-178.2	-11.4	0	0	0	109.2	L92 R93 E94	D90-L92 PolarHBondContact O-N 2.88Å; D90-L92 PolarHBondContact OD1-N 2.97Å; D90-R93 HydrophobicContact CB-CB 4.05Å; D90-R93 VanDerWaalsContact CG-CB 3.4Å; D90-R93 PolarHBondContact O-N 3.39Å; D90-R93 PolarHBondContact OD1-N 3.41Å; D90-R93 WeakPolarHBondContact OD2-CB 3.44Å; D90-E94 WeakPolarHBondContact O-CB 3.39Å; D90-E94 PolarHBondContact O-N 2.88Å
91	W	90.5	Very high	84.3	Confident	32 Å²	32	90.2 Å²	90.2	12%	0.121	42%	0.418	C	S	.	.	H	α-helix	trans	-62.3	-28	-175	-68.1	107.8	0	0	0	114.3	W68 E69 Y72 Y83 C89 Y95	W68-W91 HydrophobicContact CB-CB 3.97Å; E69-W91 HydrophobicContact CB-CB 4.15Å; E69-W91 HydrophobicContact CB-CD2 3.77Å; E69-W91 HydrophobicContact CB-CG 3.55Å; E69-W91 HydrophobicContact CG-CD2 3.8Å; E69-W91 VanDerWaalsContact CG-CE2 3.48Å; E69-W91 HydrophobicContact CG-CE3 4.44Å; E69-W91 HydrophobicContact CG-CG 4.1Å; E69-W91 HydrophobicContact CG-CZ2 3.87Å; Y72-W91 HydrophobicContact CD1-CE3 4.18Å; Y72-W91 AromaticContact CD1-CZ3 3.76Å; Y72-W91 HydrophobicContact CD1-CZ3 3.76Å; Y72-W91 HydrophobicContact CD2-CE3 4.43Å; Y72-W91 HydrophobicContact CE1-CZ3 4.16Å; Y72-W91 AromaticContact CG-CE3 3.98Å; Y72-W91 HydrophobicContact CG-CE3 3.98Å; Y72-W91 HydrophobicContact CG-CZ3 4.05Å; Y83-W91 HydrophobicContact CD1-CH2 4.28Å; Y83-W91 HydrophobicContact CD1-CZ3 4.5Å; Y83-W91 HydrophobicContact CD2-CH2 4.4Å; Y83-W91 HydrophobicContact CG-CH2 4.04Å; Y83-W91 HydrophobicContact CG-CZ3 4.45Å; C89-W91 VanDerWaalsContact C-N 3.32Å; C89-W91 HydrophobicContact CB-CD2 4.15Å; C89-W91 HydrophobicContact CB-CZ2 4.03Å; C89-W91 VanDerWaalsContact O-CD1 3.29Å; C89-W91 PolarHBondContact O-N 3.17Å; W91-Y95 WeakPolarHBondContact O-CB 3.44Å; W91-Y95 PolarHBondContact O-N 2.82Å
92	L	90.6	Very high	84.6	Confident	44 Å²	44	81.1 Å²	81.1	23%	0.23	39%	0.385	C	S	.	.	H	α-helix	trans	-69.1	-49.9	175.5	170.3	65.5	0	0	0	110	H62 W68 D90 E94 Y95 I96	H62-L92 VanDerWaalsContact ND1-CD2 3.27Å; H62-L92 WeakPolarHBondContact ND1-CD2 3.47Å; W68-L92 HydrophobicContact CB-CB 4.3Å; W68-L92 HydrophobicContact CD2-CB 4.42Å; W68-L92 HydrophobicContact CD2-CD1 3.6Å; W68-L92 HydrophobicContact CE3-CD1 4.15Å; W68-L92 HydrophobicContact CG-CB 3.94Å; W68-L92 HydrophobicContact CG-CD1 3.98Å; W68-L92 HydrophobicContact CH2-CD1 4.23Å; W68-L92 HydrophobicContact CZ2-CD1 3.71Å; W68-L92 HydrophobicContact CZ3-CD1 4.43Å; D90-L92 PolarHBondContact O-N 2.88Å; D90-L92 PolarHBondContact OD1-N 2.97Å; L92-E94 VanDerWaalsContact C-N 3.25Å; L92-E94 PolarHBondContact O-N 3.31Å; L92-Y95 PolarHBondContact O-N 2.7Å; L92-I96 HydrophobicContact CD1-CD1 3.8Å; L92-I96 HydrophobicContact CD1-CG1 4.18Å; L92-I96 HydrophobicContact CG-CD1 3.95Å; L92-I96 VanDerWaalsContact O-CG1 3.32Å; L92-I96 WeakPolarHBondContact O-CG1 3.4Å; L92-I96 PolarHBondContact O-N 2.95Å
93	R	89.9	Confident	85	Confident	175 Å²	175	79.8 Å²	79.8	66%	0.66	38%	0.381	S	S	*	.	H	α-helix	trans	-60.2	-41	176.8	-176.7	176.1	-179.8	174.7	-0.8	110.9	D90 I96 T97	D90-R93 HydrophobicContact CB-CB 4.05Å; D90-R93 VanDerWaalsContact CG-CB 3.4Å; D90-R93 PolarHBondContact O-N 3.39Å; D90-R93 PolarHBondContact OD1-N 3.41Å; D90-R93 WeakPolarHBondContact OD2-CB 3.44Å; R93-I96 PolarHBondContact O-N 3.26Å; R93-T97 VanDerWaalsContact O-CB 3.24Å; R93-T97 WeakPolarHBondContact O-CB 3.45Å; R93-T97 PolarHBondContact O-N 2.67Å; R93-T97 PolarHBondContact O-OG1 2.94Å
94	E	90	Very high	85.3	Confident	43 Å²	43	82.3 Å²	82.3	20%	0.201	39%	0.394	C	S	.	.	H	α-helix	trans	-64	-44.9	178.1	-159	66.7	-179	0	0	111.9	Y72 Y83 D90 L92 T97 R98 F143	Y72-E94 HydrophobicContact CD2-CB 4.47Å; Y72-E94 HydrophobicContact CD2-CG 4.29Å; Y72-E94 HydrophobicContact CE2-CB 4.33Å; Y72-E94 HydrophobicContact CE2-CG 3.7Å; Y83-E94 HydrophobicContact CE1-CG 4.11Å; Y83-E94 WeakPolarHBondContact OH-CG 3.43Å; Y83-E94 PolarHBondContact OH-OE1 3.03Å; D90-E94 WeakPolarHBondContact O-CB 3.39Å; D90-E94 PolarHBondContact O-N 2.88Å; L92-E94 VanDerWaalsContact C-N 3.25Å; L92-E94 PolarHBondContact O-N 3.31Å; E94-T97 PolarHBondContact O-N 3.19Å; E94-R98 WeakPolarHBondContact O-CB 3.06Å; E94-R98 PolarHBondContact O-N 3.14Å; E94-F143 WeakPolarHBondContact OE1-CZ 3.49Å
95	Y	91.9	Very high	86	Confident	6 Å²	6	73.4 Å²	73.4	2%	0.024	36%	0.361	C	S	.	.	H	α-helix	trans	-60.2	-49.5	175.4	-170.8	-75.8	0	0	0	111.6	H44 W68 Q71 Y72 R75 W76 W91 L92 T97 H99	H44-Y95 HydrophobicContact CB-CE1 3.85Å; H44-Y95 HydrophobicContact CB-CE2 4.4Å; H44-Y95 WeakPolarHBondContact CB-OH 3.28Å; H44-Y95 AromaticContact CD2-CE1 3.99Å; H44-Y95 PolarHBondContact CD2-OH 2.92Å; H44-Y95 AromaticContact CG-CZ 3.8Å; H44-Y95 PolarHBondContact ND1-OH 3.38Å; W68-Y95 AromaticContact CE3-CD1 3.91Å; W68-Y95 HydrophobicContact CE3-CD1 3.91Å; W68-Y95 AromaticContact CE3-CD2 3.99Å; W68-Y95 HydrophobicContact CE3-CD2 3.99Å; W68-Y95 HydrophobicContact CE3-CE1 4.5Å; W68-Y95 AromaticContact CE3-CG 3.65Å; W68-Y95 HydrophobicContact CE3-CG 3.65Å; W68-Y95 AromaticContact CZ3-CD1 3.51Å; W68-Y95 HydrophobicContact CZ3-CD1 3.51Å; W68-Y95 HydrophobicContact CZ3-CD2 4.2Å; W68-Y95 AromaticContact CZ3-CE1 3.8Å; W68-Y95 HydrophobicContact CZ3-CE1 3.8Å; W68-Y95 HydrophobicContact CZ3-CE2 4.45Å; W68-Y95 AromaticContact CZ3-CG 3.76Å; W68-Y95 HydrophobicContact CZ3-CG 3.76Å; Q71-Y95 HydrophobicContact CB-CD2 4.2Å; Q71-Y95 HydrophobicContact CB-CE2 3.96Å; Y72-Y95 HydrophobicContact CD2-CD2 4.49Å; R75-Y95 HydrophobicContact CB-CE2 4.49Å; R75-Y95 VanDerWaalsContact CD-OH 3.26Å; R75-Y95 WeakPolarHBondContact CD-OH 3.39Å; R75-Y95 PolarHBondContact NH1-OH 3.18Å; W76-Y95 HydrophobicContact CE3-CD2 4.44Å; W76-Y95 HydrophobicContact CH2-CD1 4.43Å; W76-Y95 HydrophobicContact CH2-CD2 4.08Å; W76-Y95 HydrophobicContact CH2-CE1 4.33Å; W76-Y95 AromaticContact CH2-CE2 3.95Å; W76-Y95 HydrophobicContact CH2-CE2 3.95Å; W76-Y95 HydrophobicContact CH2-CG 4.28Å; W76-Y95 AromaticContact CZ3-CD2 3.47Å; W76-Y95 HydrophobicContact CZ3-CD2 3.47Å; W76-Y95 VanDerWaalsContact CZ3-CD2 3.47Å; W76-Y95 AromaticContact CZ3-CE2 3.61Å; W76-Y95 HydrophobicContact CZ3-CE2 3.61Å; W76-Y95 AromaticContact CZ3-CG 3.94Å; W76-Y95 HydrophobicContact CZ3-CG 3.94Å; W91-Y95 WeakPolarHBondContact O-CB 3.44Å; W91-Y95 PolarHBondContact O-N 2.82Å; L92-Y95 PolarHBondContact O-N 2.7Å; Y95-T97 VanDerWaalsContact C-N 3.32Å; Y95-T97 PolarHBondContact O-N 2.95Å; Y95-H99 HydrophobicContact CD1-CB 4.44Å; Y95-H99 HydrophobicContact CE1-CB 4.3Å; Y95-H99 WeakPolarHBondContact O-CB 3.4Å; Y95-H99 PolarHBondContact O-N 2.9Å
96	I	91.1	Very high	87.2	Confident	64 Å²	64	67.2 Å²	67.2	33%	0.328	33%	0.329	S	S	.	.	H	α-helix	trans	-59.2	-47	179.1	-70.7	169.5	0	0	0	110.3	L92 R93 H99 R100	L92-I96 HydrophobicContact CD1-CD1 3.8Å; L92-I96 HydrophobicContact CD1-CG1 4.18Å; L92-I96 HydrophobicContact CG-CD1 3.95Å; L92-I96 VanDerWaalsContact O-CG1 3.32Å; L92-I96 WeakPolarHBondContact O-CG1 3.4Å; L92-I96 PolarHBondContact O-N 2.95Å; R93-I96 PolarHBondContact O-N 3.26Å; I96-H99 PolarHBondContact O-N 3.49Å; I96-R100 HydrophobicContact CG2-CG 4.44Å; I96-R100 WeakPolarHBondContact O-CB 3.37Å; I96-R100 WeakPolarHBondContact O-CG 3.32Å; I96-R100 PolarHBondContact O-N 3.33Å
97	T	90.8	Very high	88.6	Confident	40 Å²	40	67.7 Å²	67.7	25%	0.245	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-54.4	-177.7	-58.6	0	0	0	0	110.2	R93 E94 Y95 H99 R100 V101 M139	R93-T97 VanDerWaalsContact O-CB 3.24Å; R93-T97 WeakPolarHBondContact O-CB 3.45Å; R93-T97 PolarHBondContact O-N 2.67Å; R93-T97 PolarHBondContact O-OG1 2.94Å; E94-T97 PolarHBondContact O-N 3.19Å; Y95-T97 VanDerWaalsContact C-N 3.32Å; Y95-T97 PolarHBondContact O-N 2.95Å; T97-H99 VanDerWaalsContact C-N 3.3Å; T97-H99 PolarHBondContact O-N 3.25Å; T97-R100 PolarHBondContact O-N 2.61Å; T97-V101 WeakPolarHBondContact O-CG2 3.47Å; T97-V101 PolarHBondContact O-N 3.4Å; T97-M139 HydrophobicContact CG2-CE 3.25Å; T97-M139 HydrophobicContact CG2-SD 3.94Å
98	R	91.8	Very high	89.5	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.4	-38.2	178.5	178	62.1	-173.4	80.3	1	112.6	Y72 W76 L79 E94 G102 F143 D146 E147	Y72-R98 HydrophobicContact CE2-CB 4.25Å; Y72-R98 HydrophobicContact CE2-CG 4.5Å; W76-R98 HydrophobicContact CD2-CG 3.71Å; W76-R98 VanDerWaalsContact CE2-CG 3.48Å; W76-R98 HydrophobicContact CE3-CB 4.49Å; W76-R98 HydrophobicContact CE3-CG 3.92Å; W76-R98 HydrophobicContact CG-CG 4.37Å; W76-R98 HydrophobicContact CH2-CB 3.96Å; W76-R98 HydrophobicContact CH2-CG 3.72Å; W76-R98 HydrophobicContact CZ2-CB 4.22Å; W76-R98 HydrophobicContact CZ2-CG 3.5Å; W76-R98 HydrophobicContact CZ3-CB 4.11Å; W76-R98 HydrophobicContact CZ3-CG 3.92Å; L79-R98 HydrophobicContact CD1-CG 4.48Å; E94-R98 WeakPolarHBondContact O-CB 3.06Å; E94-R98 PolarHBondContact O-N 3.14Å; R98-G102 PolarHBondContact O-N 2.99Å; R98-F143 HydrophobicContact CB-CD2 4.35Å; R98-F143 HydrophobicContact CB-CE2 4.01Å; R98-F143 HydrophobicContact CB-CZ 4.34Å; R98-F143 VanDerWaalsContact CD-CG 3.47Å; R98-D146 IonicContact CZ-OD1 3.89Å; R98-D146 IonicContact NE-OD1 3.6Å; R98-D146 IonicContact NH2-OD1 2.77Å; R98-D146 PolarHBondContact NH2-OD1 3.2Å; R98-E147 IonicContact CZ-OE2 3.72Å; R98-E147 VanDerWaalsContact CZ-OE2 3.23Å; R98-E147 IonicContact NH1-OE2 2.72Å; R98-E147 PolarHBondContact NH1-OE2 2.92Å; R98-E147 IonicContact NH2-OE2 3.38Å; R98-E147 PolarHBondContact NH2-OE2 2.94Å
99	H	91.9	Very high	90.3	Very high	53 Å²	53	56.7 Å²	56.7	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-65.4	-47	178.1	-174.4	66.1	0	0	0	112.3	R75 W76 Y95 I96 T97 G102 I103	R75-H99 PolarHBondContact NH2-ND1 2.86Å; W76-H99 HydrophobicContact CH2-CB 4.13Å; Y95-H99 HydrophobicContact CD1-CB 4.44Å; Y95-H99 HydrophobicContact CE1-CB 4.3Å; Y95-H99 WeakPolarHBondContact O-CB 3.4Å; Y95-H99 PolarHBondContact O-N 2.9Å; I96-H99 PolarHBondContact O-N 3.49Å; T97-H99 VanDerWaalsContact C-N 3.3Å; T97-H99 PolarHBondContact O-N 3.25Å; H99-G102 PolarHBondContact O-N 3.41Å; H99-I103 WeakPolarHBondContact O-CG1 2.85Å; H99-I103 PolarHBondContact O-N 3.1Å; H99-I103 VanDerWaalsContact O-N 3.13Å
100	R	91.9	Very high	90.6	Very high	178 Å²	178	60.1 Å²	60.1	67%	0.672	27%	0.266	S	S	*	.	H	α-helix	trans	-60.9	-45.4	177.2	-76.1	179.1	-179.1	179.5	1.8	111.7	I96 T97 G102 I103 Q104	I96-R100 HydrophobicContact CG2-CG 4.44Å; I96-R100 WeakPolarHBondContact O-CB 3.37Å; I96-R100 WeakPolarHBondContact O-CG 3.32Å; I96-R100 PolarHBondContact O-N 3.33Å; T97-R100 PolarHBondContact O-N 2.61Å; R100-G102 VanDerWaalsContact C-N 3.33Å; R100-G102 PolarHBondContact O-N 3.36Å; R100-I103 PolarHBondContact O-N 3.23Å; R100-Q104 PolarHBondContact O-N 3.31Å
101	V	90.8	Very high	90.5	Very high	12 Å²	12	56.9 Å²	56.9	7%	0.073	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-43	178.1	172.1	0	0	0	0	110.9	T97 I103 Q104 I105 L137 M139	T97-V101 WeakPolarHBondContact O-CG2 3.47Å; T97-V101 PolarHBondContact O-N 3.4Å; V101-I103 VanDerWaalsContact C-N 3.34Å; V101-I103 PolarHBondContact O-N 2.82Å; V101-Q104 PolarHBondContact O-N 3.14Å; V101-Q104 VanDerWaalsContact O-N 3.15Å; V101-I105 HydrophobicContact CG1-CD1 3.67Å; V101-I105 HydrophobicContact CG1-CG1 4.35Å; V101-I105 WeakPolarHBondContact O-CG1 3.49Å; V101-I105 PolarHBondContact O-N 2.93Å; V101-L137 HydrophobicContact CG1-CD1 4.25Å; V101-M139 HydrophobicContact CG1-CG 4.25Å; V101-M139 HydrophobicContact CG2-CE 4.09Å; V101-M139 HydrophobicContact CG2-CG 3.52Å; V101-M139 HydrophobicContact CG2-SD 3.91Å
102	G	91.8	Very high	90.3	Very high	3 Å²	3	55.4 Å²	55.4	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-41.2	176.1	0	0	0	0	0	113.3	R98 H99 R100 R106 E147	R98-G102 PolarHBondContact O-N 2.99Å; H99-G102 PolarHBondContact O-N 3.41Å; R100-G102 VanDerWaalsContact C-N 3.33Å; R100-G102 PolarHBondContact O-N 3.36Å; G102-R106 WeakPolarHBondContact O-CG 3.35Å; G102-R106 PolarHBondContact O-N 2.97Å; G102-R106 VanDerWaalsContact O-N 3.1Å; G102-E147 VanDerWaalsContact CA-CD 3.46Å
103	I	91.6	Very high	90	Very high	67 Å²	67	53.8 Å²	53.8	34%	0.344	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-43.6	174.7	-67.5	168.1	0	0	0	110.8	H99 R100 V101 R106 R107	H99-I103 WeakPolarHBondContact O-CG1 2.85Å; H99-I103 PolarHBondContact O-N 3.1Å; H99-I103 VanDerWaalsContact O-N 3.13Å; R100-I103 PolarHBondContact O-N 3.23Å; V101-I103 VanDerWaalsContact C-N 3.34Å; V101-I103 PolarHBondContact O-N 2.82Å; I103-R106 PolarHBondContact O-N 3.25Å; I103-R107 WeakPolarHBondContact O-CG 3.23Å; I103-R107 PolarHBondContact O-N 3.08Å
104	Q	91.1	Very high	89.7	Confident	96 Å²	96	51.8 Å²	51.8	45%	0.449	23%	0.234	S	C	.	.	H	α-helix	trans	-66.9	-43.7	-178.6	-170.9	156.5	0	0	0	112	R100 V101 R106 R107 T108 L137	R100-Q104 PolarHBondContact O-N 3.31Å; V101-Q104 PolarHBondContact O-N 3.14Å; V101-Q104 VanDerWaalsContact O-N 3.15Å; Q104-R106 VanDerWaalsContact C-N 3.32Å; Q104-R106 PolarHBondContact O-N 3.5Å; Q104-R107 PolarHBondContact O-N 3.18Å; Q104-T108 PolarHBondContact O-N 3.22Å; Q104-T108 PolarHBondContact O-OG1 3.39Å; Q104-L137 HydrophobicContact CG-CD1 4.39Å; Q104-L137 HydrophobicContact CG-CD2 3.95Å
105	I	90.6	Very high	89	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.5	-45.9	174.4	-68.3	161.1	0	0	0	110.6	V101 R107 T108 V109 L137 C144 E147 L148	V101-I105 HydrophobicContact CG1-CD1 3.67Å; V101-I105 HydrophobicContact CG1-CG1 4.35Å; V101-I105 WeakPolarHBondContact O-CG1 3.49Å; V101-I105 PolarHBondContact O-N 2.93Å; I105-R107 PolarHBondContact O-N 3.13Å; I105-T108 PolarHBondContact O-N 3.06Å; I105-V109 HydrophobicContact CG2-CG2 4.21Å; I105-V109 WeakPolarHBondContact O-CG2 3.33Å; I105-V109 PolarHBondContact O-N 2.97Å; I105-L137 HydrophobicContact CG1-CD1 4.41Å; I105-C144 HydrophobicContact CD1-CB 4.07Å; I105-E147 HydrophobicContact CB-CG 4.15Å; I105-E147 HydrophobicContact CD1-CB 3.91Å; I105-E147 HydrophobicContact CD1-CG 4.24Å; I105-E147 HydrophobicContact CG2-CB 4.34Å; I105-E147 HydrophobicContact CG2-CG 4.03Å; I105-L148 HydrophobicContact CG2-CD2 3.94Å; I105-L148 HydrophobicContact CG2-CG 4.32Å
106	R	91.1	Very high	88.2	Confident	66 Å²	66	56.2 Å²	56.2	25%	0.249	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-46.9	176.6	-75.2	178.5	-158.5	-97.8	-0.6	112.1	G102 I103 Q104 T108 V109 E110 E147 I151	G102-R106 WeakPolarHBondContact O-CG 3.35Å; G102-R106 PolarHBondContact O-N 2.97Å; G102-R106 VanDerWaalsContact O-N 3.1Å; I103-R106 PolarHBondContact O-N 3.25Å; Q104-R106 VanDerWaalsContact C-N 3.32Å; Q104-R106 PolarHBondContact O-N 3.5Å; R106-T108 VanDerWaalsContact C-N 3.32Å; R106-T108 PolarHBondContact O-N 3.07Å; R106-V109 PolarHBondContact O-N 3.17Å; R106-E110 WeakPolarHBondContact O-CB 3.29Å; R106-E110 VanDerWaalsContact O-CG 3.27Å; R106-E110 WeakPolarHBondContact O-CG 3.28Å; R106-E110 PolarHBondContact O-N 2.8Å; R106-E147 IonicContact CZ-OE1 2.92Å; R106-E147 IonicContact NE-OE1 3.94Å; R106-E147 PolarHBondContact NE-OE1 3.47Å; R106-E147 IonicContact NH2-OE1 3.81Å; R106-E147 PolarHBondContact NH2-OE1 2.94Å; R106-I151 HydrophobicContact CG-CD1 3.98Å; R106-I151 HydrophobicContact CG-CG1 4.5Å
107	R	90.1	Very high	87.5	Confident	172 Å²	172	53.8 Å²	53.8	65%	0.649	24%	0.236	S	C	*	.	H	α-helix	trans	-59.7	-42.7	177.4	-73.3	175.9	177.2	178.8	-1.1	112	I103 Q104 I105 E110 S111	I103-R107 WeakPolarHBondContact O-CG 3.23Å; I103-R107 PolarHBondContact O-N 3.08Å; Q104-R107 PolarHBondContact O-N 3.18Å; I105-R107 PolarHBondContact O-N 3.13Å; R107-E110 PolarHBondContact O-N 3Å; R107-S111 WeakPolarHBondContact O-CB 3.49Å; R107-S111 PolarHBondContact O-N 3.15Å
108	T	88.9	Confident	86.4	Confident	9 Å²	9	56 Å²	56	6%	0.055	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-51.6	174.9	-63.3	0	0	0	0	109.9	Q104 I105 R106 E110 S111 I112 I134	Q104-T108 PolarHBondContact O-N 3.22Å; Q104-T108 PolarHBondContact O-OG1 3.39Å; I105-T108 PolarHBondContact O-N 3.06Å; R106-T108 VanDerWaalsContact C-N 3.32Å; R106-T108 PolarHBondContact O-N 3.07Å; T108-E110 VanDerWaalsContact C-N 3.35Å; T108-E110 PolarHBondContact O-N 2.85Å; T108-S111 PolarHBondContact O-N 3.49Å; T108-S111 VanDerWaalsContact O-N 3.11Å; T108-S111 PolarHBondContact O-OG 2.98Å; T108-I112 WeakPolarHBondContact O-CG1 3.46Å; T108-I112 PolarHBondContact O-N 3.18Å; T108-I134 HydrophobicContact CG2-CD1 4.28Å; T108-I134 HydrophobicContact CG2-CG1 4.15Å
109	V	89.3	Confident	84.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.7	-45.4	178.6	-179.3	0	0	0	0	111.9	I105 R106 S111 I112 L148 I151 L162 A166 I169	I105-V109 HydrophobicContact CG2-CG2 4.21Å; I105-V109 WeakPolarHBondContact O-CG2 3.33Å; I105-V109 PolarHBondContact O-N 2.97Å; R106-V109 PolarHBondContact O-N 3.17Å; V109-S111 VanDerWaalsContact C-N 3.28Å; V109-S111 PolarHBondContact O-N 3.22Å; V109-I112 PolarHBondContact O-N 2.91Å; V109-L148 HydrophobicContact CG2-CD2 3.96Å; V109-I151 HydrophobicContact CG2-CD1 4.41Å; V109-L162 HydrophobicContact CB-CD1 4Å; V109-L162 HydrophobicContact CG1-CD1 3.63Å; V109-L162 HydrophobicContact CG1-CG 4.23Å; V109-L162 WeakPolarHBondContact CG1-O 3.25Å; V109-A166 HydrophobicContact CG1-CB 4.16Å; V109-I169 HydrophobicContact CB-CD1 4.3Å; V109-I169 HydrophobicContact CG2-CD1 3.52Å
110	E	88.1	Confident	83.1	Confident	106 Å²	106	62 Å²	62	50%	0.495	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-38.9	178.5	-74	167.8	-178.5	0	0	111.7	R106 R107 T108 I112 S113 L162	R106-E110 WeakPolarHBondContact O-CB 3.29Å; R106-E110 VanDerWaalsContact O-CG 3.27Å; R106-E110 WeakPolarHBondContact O-CG 3.28Å; R106-E110 PolarHBondContact O-N 2.8Å; R107-E110 PolarHBondContact O-N 3Å; T108-E110 VanDerWaalsContact C-N 3.35Å; T108-E110 PolarHBondContact O-N 2.85Å; E110-I112 VanDerWaalsContact C-N 3.29Å; E110-I112 PolarHBondContact O-N 3.49Å; E110-S113 PolarHBondContact O-OG 2.75Å; E110-L162 HydrophobicContact CG-CD1 3.53Å
111	S	87.1	Confident	81	Confident	28 Å²	28	54.2 Å²	54.2	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-69.8	-21.5	-177.9	79.6	0	0	0	0	114.4	R107 T108 V109 S113 K114 R115	R107-S111 WeakPolarHBondContact O-CB 3.49Å; R107-S111 PolarHBondContact O-N 3.15Å; T108-S111 PolarHBondContact O-N 3.49Å; T108-S111 VanDerWaalsContact O-N 3.11Å; T108-S111 PolarHBondContact O-OG 2.98Å; V109-S111 VanDerWaalsContact C-N 3.28Å; V109-S111 PolarHBondContact O-N 3.22Å; S111-S113 VanDerWaalsContact C-N 3.33Å; S111-S113 PolarHBondContact O-N 2.85Å; S111-K114 PolarHBondContact O-N 3.03Å; S111-R115 WeakPolarHBondContact O-CG 3.35Å; S111-R115 PolarHBondContact O-N 3.09Å
112	I	85.7	Confident	79	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-37.8	-175.2	-62.8	173.8	0	0	0	111.1	T108 V109 E110 K114 R115 F116 V126 L127 Y165 I169	T108-I112 WeakPolarHBondContact O-CG1 3.46Å; T108-I112 PolarHBondContact O-N 3.18Å; V109-I112 PolarHBondContact O-N 2.91Å; E110-I112 VanDerWaalsContact C-N 3.29Å; E110-I112 PolarHBondContact O-N 3.49Å; I112-K114 PolarHBondContact O-N 2.97Å; I112-R115 PolarHBondContact O-N 2.83Å; I112-F116 HydrophobicContact CG2-CD2 3.86Å; I112-F116 WeakPolarHBondContact O-CD2 3.46Å; I112-F116 PolarHBondContact O-N 2.96Å; I112-V126 HydrophobicContact CG2-CG1 4.48Å; I112-L127 HydrophobicContact CD1-CD2 4.23Å; I112-Y165 HydrophobicContact CB-CD1 3.94Å; I112-Y165 HydrophobicContact CB-CE1 4.35Å; I112-Y165 HydrophobicContact CB-CG 4.06Å; I112-Y165 HydrophobicContact CG2-CD1 3.28Å; I112-Y165 HydrophobicContact CG2-CE1 3.5Å; I112-Y165 HydrophobicContact CG2-CG 3.93Å; I112-I169 HydrophobicContact CD1-CD1 3.34Å; I112-I169 HydrophobicContact CD1-CG1 3.78Å
113	S	84.9	Confident	77.1	Confident	10 Å²	10	54.6 Å²	54.6	7%	0.07	26%	0.26	C	S	.	.	H	α-helix	trans	-52.8	-56.1	176.3	59.6	0	0	0	0	111.5	E110 S111 R115 F116 F117 E591	E110-S113 PolarHBondContact O-OG 2.75Å; S111-S113 VanDerWaalsContact C-N 3.33Å; S111-S113 PolarHBondContact O-N 2.85Å; S113-R115 VanDerWaalsContact C-N 3.31Å; S113-R115 PolarHBondContact O-N 2.8Å; S113-F116 PolarHBondContact O-N 3.44Å; S113-F117 VanDerWaalsContact O-CB 3.26Å; S113-F117 WeakPolarHBondContact O-CB 3.49Å; S113-F117 PolarHBondContact O-N 3.47Å; S113-E591 PolarHBondContact OG-OE1 3.32Å; S113-E591 VanDerWaalsContact OG-OE1 3.09Å
114	K	82.7	Confident	75.3	Confident	134 Å²	134	51.5 Å²	51.5	58%	0.583	24%	0.244	S	C	*	.	H	α-helix	trans	-57.1	-41.2	179.2	-65.3	-178.7	-178.3	-170.6	0	113.4	S111 I112 E590 E591	S111-K114 PolarHBondContact O-N 3.03Å; I112-K114 PolarHBondContact O-N 2.97Å; K114-E590 WeakPolarHBondContact CE-OE2 3.25Å; K114-E590 IonicContact NZ-OE2 3.87Å; K114-E590 PolarHBondContact NZ-OE2 3.24Å; K114-E591 WeakPolarHBondContact CG-OE1 3.48Å; K114-E591 PolarHBondContact N-OE1 3.41Å
115	R	76.6	Confident	73.4	Confident	114 Å²	114	50.5 Å²	50.5	43%	0.43	24%	0.24	S	C	.	.	H	α-helix	trans	-75.4	-32.2	-176.4	-68.3	175.4	-175.9	-175.3	3.5	112.4	S111 I112 S113 E133	S111-R115 WeakPolarHBondContact O-CG 3.35Å; S111-R115 PolarHBondContact O-N 3.09Å; I112-R115 PolarHBondContact O-N 2.83Å; S113-R115 VanDerWaalsContact C-N 3.31Å; S113-R115 PolarHBondContact O-N 2.8Å; R115-E133 IonicContact CZ-OE1 2.83Å; R115-E133 IonicContact NH1-OE1 3.18Å; R115-E133 PolarHBondContact NH1-OE1 3.27Å; R115-E133 IonicContact NH1-OE2 2.68Å; R115-E133 IonicContact NH2-OE1 3.2Å; R115-E133 PolarHBondContact NH2-OE1 3.15Å
116	F	74.2	Confident	71.7	Confident	27 Å²	27	51 Å²	51	12%	0.118	24%	0.243	C	C	.	.	H	α-helix	trans	-137.2	18.2	-162.4	-53.2	-71.9	0	0	0	115.3	I112 S113 T118 E119 V126	I112-F116 HydrophobicContact CG2-CD2 3.86Å; I112-F116 WeakPolarHBondContact O-CD2 3.46Å; I112-F116 PolarHBondContact O-N 2.96Å; S113-F116 PolarHBondContact O-N 3.44Å; F116-T118 VanDerWaalsContact C-N 3.27Å; F116-T118 PolarHBondContact O-N 3.46Å; F116-E119 PolarHBondContact O-N 3.02Å; F116-E119 VanDerWaalsContact O-O 3.13Å; F116-V126 HydrophobicContact CB-CG1 3.8Å; F116-V126 HydrophobicContact CD1-CB 3.82Å; F116-V126 HydrophobicContact CD1-CG1 3.53Å; F116-V126 HydrophobicContact CD1-CG2 3.19Å; F116-V126 HydrophobicContact CD2-CB 4.22Å; F116-V126 HydrophobicContact CD2-CG1 3.15Å; F116-V126 HydrophobicContact CD2-CG2 4.47Å; F116-V126 HydrophobicContact CE1-CB 3.79Å; F116-V126 HydrophobicContact CE1-CG1 3.78Å; F116-V126 HydrophobicContact CE1-CG2 3.27Å; F116-V126 HydrophobicContact CE2-CB 4.17Å; F116-V126 HydrophobicContact CE2-CG1 3.41Å; F116-V126 VanDerWaalsContact CE2-CG1 3.41Å; F116-V126 HydrophobicContact CG-CB 4.02Å; F116-V126 HydrophobicContact CG-CG1 3.18Å; F116-V126 HydrophobicContact CG-CG2 3.83Å; F116-V126 HydrophobicContact CZ-CB 3.94Å; F116-V126 HydrophobicContact CZ-CG1 3.7Å; F116-V126 HydrophobicContact CZ-CG2 3.95Å
117	F	76.7	Confident	70.3	Confident	13 Å²	13	48.1 Å²	48.1	6%	0.057	23%	0.232	C	C	.	.	S	Bend	trans	-58.3	-39.5	175.7	-178	-96.5	0	0	0	113	S113 R576 Y577 E591 L592	S113-F117 VanDerWaalsContact O-CB 3.26Å; S113-F117 WeakPolarHBondContact O-CB 3.49Å; S113-F117 PolarHBondContact O-N 3.47Å; F117-R576 WeakPolarHBondContact CE2-O 3.28Å; F117-R576 PolarHBondContact O-NH2 2.75Å; F117-Y577 AromaticContact CE2-CD1 3.88Å; F117-Y577 HydrophobicContact CE2-CD1 3.88Å; F117-Y577 HydrophobicContact CE2-CE1 4.37Å; F117-Y577 AromaticContact CZ-CD1 3.81Å; F117-Y577 HydrophobicContact CZ-CD1 3.81Å; F117-Y577 HydrophobicContact CZ-CE1 4.16Å; F117-E591 HydrophobicContact CB-CB 3.88Å; F117-E591 HydrophobicContact CB-CG 3.84Å; F117-E591 HydrophobicContact CD1-CB 3.82Å; F117-E591 HydrophobicContact CD2-CB 3.45Å; F117-E591 VanDerWaalsContact CD2-CB 3.45Å; F117-E591 HydrophobicContact CD2-CG 4.08Å; F117-E591 HydrophobicContact CE1-CB 4.18Å; F117-E591 HydrophobicContact CE2-CB 3.82Å; F117-E591 HydrophobicContact CG-CB 3.44Å; F117-E591 VanDerWaalsContact CG-CB 3.44Å; F117-E591 HydrophobicContact CG-CG 3.98Å; F117-E591 HydrophobicContact CZ-CB 4.17Å; F117-L592 HydrophobicContact CE2-CB 4.18Å; F117-L592 HydrophobicContact CZ-CB 3.78Å; F117-L592 HydrophobicContact CZ-CD1 3.95Å; F117-L592 HydrophobicContact CZ-CG 4.44Å
118	T	66.6	Low	69.1	Low	88 Å²	88	41 Å²	41	54%	0.54	21%	0.212	S	C	.	.	S	Bend	trans	-76.3	-30.8	-177.6	53	0	0	0	0	113.4	F116	F116-T118 VanDerWaalsContact C-N 3.27Å; F116-T118 PolarHBondContact O-N 3.46Å
119	E	62.1	Low	68.1	Low	78 Å²	78	45 Å²	45	36%	0.364	23%	0.233	S	C	.	.	S	Bend	trans	-83.6	142.2	-178.8	-59	-169	167.9	0	0	109.2	F116 P121 R576	F116-E119 PolarHBondContact O-N 3.02Å; F116-E119 VanDerWaalsContact O-O 3.13Å; E119-P121 WeakPolarHBondContact O-CD 3.5Å; E119-P121 VanDerWaalsContact O-N 3.13Å; E119-R576 PolarHBondContact O-NH2 3.39Å
120	V	52.8	Low	67.3	Low	101 Å²	101	45 Å²	45	61%	0.612	23%	0.233	S	C	*	.			trans	-61.3	119.8	170	-177.3	0	0	0	0	106.5	C122	V120-C122 PolarHBondContact O-N 2.99Å; V120-C122 PolarHBondContact O-SG 3.11Å
121	P	49.1	Very low	66.5	Low	13 Å²	13	40.4 Å²	40.4	8%	0.084	21%	0.211	C	C	.	.			trans	-74.2	71.3	176.2	31.6	-33	0	0	0	107.8	E119 Y164	E119-P121 WeakPolarHBondContact O-CD 3.5Å; E119-P121 VanDerWaalsContact O-N 3.13Å; P121-Y164 HydrophobicContact CG-CE1 4.22Å; P121-Y164 WeakPolarHBondContact CG-OH 3.27Å
122	C	48.9	Very low	66.1	Low	20 Å²	20	41.4 Å²	41.4	14%	0.135	22%	0.221	C	C	.	.			trans	-62.4	150	148.9	58.2	0	0	0	0	107.5	V120 G124 I437	V120-C122 PolarHBondContact O-N 2.99Å; V120-C122 PolarHBondContact O-SG 3.11Å; C122-G124 PolarHBondContact O-N 3.33Å; C122-I437 HydrophobicContact CB-CB 4.08Å; C122-I437 HydrophobicContact CB-CD1 4.06Å; C122-I437 HydrophobicContact CB-CG2 3.45Å; C122-I437 VanDerWaalsContact CB-CG2 3.45Å; C122-I437 VanDerWaalsContact SG-CB 3.54Å; C122-I437 WeakPolarHBondContact SG-CG2 3.42Å
123	V	50.2	Low	65.9	Low	4 Å²	4	44.3 Å²	44.3	2%	0.024	24%	0.235	C	C	.	.	S	Bend	trans	-70.8	21	-171.6	173.1	0	0	0	0	112.2	L127 K168 Y171 F172	V123-L127 HydrophobicContact CB-CD1 4.11Å; V123-L127 HydrophobicContact CG1-CD1 4.02Å; V123-L127 HydrophobicContact CG2-CD1 4.32Å; V123-K168 HydrophobicContact CG2-CD 4.37Å; V123-Y171 HydrophobicContact CG1-CD1 4.16Å; V123-Y171 HydrophobicContact CG2-CD1 4.48Å; V123-F172 HydrophobicContact CG1-CB 3.9Å; V123-F172 HydrophobicContact CG1-CD2 3.71Å; V123-F172 HydrophobicContact CG1-CG 4.26Å; V123-F172 WeakPolarHBondContact O-CD2 3.49Å
124	G	54.5	Low	65.8	Low	1 Å²	1	44.4 Å²	44.4	1%	0.01	23%	0.234	C	C	.	.	S	Bend	trans	-97.5	-134.6	-161.3	0	0	0	0	0	116.3	C122 V126 L127 G128	C122-G124 PolarHBondContact O-N 3.33Å; G124-V126 PolarHBondContact O-N 3.49Å; G124-L127 CarbonylContact O-C 3.25Å; G124-L127 WeakPolarHBondContact O-CA 3.48Å; G124-L127 PolarHBondContact O-N 3.2Å; G124-G128 PolarHBondContact O-N 3.11Å
125	Q	51.8	Low	65.7	Low	76 Å²	76	43.2 Å²	43.2	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-47.2	-45	-165.6	-154.4	160.8	-4.9	0	0	112.5	G128 D129 W438 E440	Q125-G128 CarbonylContact O-C 3.56Å; Q125-G128 WeakPolarHBondContact O-CA 3.38Å; Q125-G128 PolarHBondContact O-N 3.26Å; Q125-G128 VanDerWaalsContact O-N 3.1Å; Q125-D129 PolarHBondContact O-N 2.89Å; Q125-W438 VanDerWaalsContact N-CD1 3.3Å; Q125-E440 VanDerWaalsContact NE2-CD 3.28Å; Q125-E440 PolarHBondContact NE2-OE2 2.92Å; Q125-E440 PolarHBondContact OE1-OE2 3.34Å; Q125-E440 VanDerWaalsContact OE1-OE2 3.12Å
126	V	54.7	Low	66.1	Low	10 Å²	10	42.4 Å²	42.4	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-49.6	-54.7	170.9	166.4	0	0	0	0	114.7	I112 F116 G124 G128 S130	I112-V126 HydrophobicContact CG2-CG1 4.48Å; F116-V126 HydrophobicContact CB-CG1 3.8Å; F116-V126 HydrophobicContact CD1-CB 3.82Å; F116-V126 HydrophobicContact CD1-CG1 3.53Å; F116-V126 HydrophobicContact CD1-CG2 3.19Å; F116-V126 HydrophobicContact CD2-CB 4.22Å; F116-V126 HydrophobicContact CD2-CG1 3.15Å; F116-V126 HydrophobicContact CD2-CG2 4.47Å; F116-V126 HydrophobicContact CE1-CB 3.79Å; F116-V126 HydrophobicContact CE1-CG1 3.78Å; F116-V126 HydrophobicContact CE1-CG2 3.27Å; F116-V126 HydrophobicContact CE2-CB 4.17Å; F116-V126 HydrophobicContact CE2-CG1 3.41Å; F116-V126 VanDerWaalsContact CE2-CG1 3.41Å; F116-V126 HydrophobicContact CG-CB 4.02Å; F116-V126 HydrophobicContact CG-CG1 3.18Å; F116-V126 HydrophobicContact CG-CG2 3.83Å; F116-V126 HydrophobicContact CZ-CB 3.94Å; F116-V126 HydrophobicContact CZ-CG1 3.7Å; F116-V126 HydrophobicContact CZ-CG2 3.95Å; G124-V126 PolarHBondContact O-N 3.49Å; V126-G128 VanDerWaalsContact C-N 3.32Å; V126-S130 PolarHBondContact O-N 3.27Å; V126-S130 VanDerWaalsContact O-N 3.16Å; V126-S130 PolarHBondContact O-OG 3.43Å
127	L	61	Low	66.6	Low	6 Å²	6	42.8 Å²	42.8	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-75.8	-26.9	177.3	-66.7	-178	0	0	0	110.8	I112 V123 G124 F131 K168 I169	I112-L127 HydrophobicContact CD1-CD2 4.23Å; V123-L127 HydrophobicContact CB-CD1 4.11Å; V123-L127 HydrophobicContact CG1-CD1 4.02Å; V123-L127 HydrophobicContact CG2-CD1 4.32Å; G124-L127 CarbonylContact O-C 3.25Å; G124-L127 WeakPolarHBondContact O-CA 3.48Å; G124-L127 PolarHBondContact O-N 3.2Å; L127-F131 WeakPolarHBondContact O-CA 3.15Å; L127-F131 WeakPolarHBondContact O-CB 2.88Å; L127-F131 PolarHBondContact O-N 2.73Å; L127-K168 HydrophobicContact CD1-CB 3.75Å; L127-K168 HydrophobicContact CD2-CB 4.32Å; L127-I169 HydrophobicContact CD2-CG1 4.03Å
128	G	64.6	Low	66.9	Low	21 Å²	21	45.5 Å²	45.5	22%	0.216	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-48.1	171.6	0	0	0	0	0	111.9	G124 Q125 V126 F131 A132	G124-G128 PolarHBondContact O-N 3.11Å; Q125-G128 CarbonylContact O-C 3.56Å; Q125-G128 WeakPolarHBondContact O-CA 3.38Å; Q125-G128 PolarHBondContact O-N 3.26Å; Q125-G128 VanDerWaalsContact O-N 3.1Å; V126-G128 VanDerWaalsContact C-N 3.32Å; G128-F131 PolarHBondContact O-N 3.09Å; G128-A132 WeakPolarHBondContact O-CB 3.23Å; G128-A132 PolarHBondContact O-N 2.97Å
129	D	68.9	Low	67.8	Low	93 Å²	93	44.1 Å²	44.1	50%	0.497	27%	0.265	S	S	.	.	H	α-helix	trans	-67.1	-45.1	177	-64.9	-21.6	0	0	0	111.2	Q125 F131 A132 E133	Q125-D129 PolarHBondContact O-N 2.89Å; D129-F131 PolarHBondContact O-N 3.48Å; D129-A132 WeakPolarHBondContact O-CB 3.46Å; D129-A132 PolarHBondContact O-N 3.1Å; D129-E133 PolarHBondContact O-N 3.16Å
130	S	71.7	Confident	68.8	Low	0 Å²	0	43.2 Å²	43.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-32.3	176.3	-52.6	0	0	0	0	111.9	V126 I134	V126-S130 PolarHBondContact O-N 3.27Å; V126-S130 VanDerWaalsContact O-N 3.16Å; V126-S130 PolarHBondContact O-OG 3.43Å; S130-I134 WeakPolarHBondContact O-CG1 3.24Å; S130-I134 PolarHBondContact O-N 2.81Å
131	F	72.3	Confident	70.2	Confident	11 Å²	11	42.2 Å²	42.2	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-72.8	-42.4	173.2	173.8	-93.5	0	0	0	111.1	L127 G128 D129 E133 I134 E135 F172 L173 Q176	L127-F131 WeakPolarHBondContact O-CA 3.15Å; L127-F131 WeakPolarHBondContact O-CB 2.88Å; L127-F131 PolarHBondContact O-N 2.73Å; G128-F131 PolarHBondContact O-N 3.09Å; D129-F131 PolarHBondContact O-N 3.48Å; F131-E133 PolarHBondContact O-N 3.45Å; F131-I134 CarbonylContact O-C 3.54Å; F131-I134 WeakPolarHBondContact O-CA 3.32Å; F131-I134 WeakPolarHBondContact O-CB 3.34Å; F131-I134 PolarHBondContact O-N 3.4Å; F131-E135 HydrophobicContact CD1-CB 4.45Å; F131-E135 HydrophobicContact CE1-CB 4.06Å; F131-E135 HydrophobicContact CE1-CG 4.4Å; F131-E135 WeakPolarHBondContact CE1-OE2 3.41Å; F131-E135 HydrophobicContact CZ-CB 4.36Å; F131-E135 WeakPolarHBondContact O-CB 3.41Å; F131-E135 PolarHBondContact O-N 3.25Å; F131-F172 HydrophobicContact CB-CD1 3.73Å; F131-F172 HydrophobicContact CB-CE1 3.56Å; F131-F172 HydrophobicContact CD1-CD1 4.44Å; F131-F172 AromaticContact CD1-CE1 3.85Å; F131-F172 HydrophobicContact CD1-CE1 3.85Å; F131-F172 AromaticContact CD2-CD1 3.95Å; F131-F172 HydrophobicContact CD2-CD1 3.95Å; F131-F172 HydrophobicContact CD2-CE1 4.18Å; F131-F172 AromaticContact CG-CD1 3.78Å; F131-F172 HydrophobicContact CG-CD1 3.78Å; F131-F172 AromaticContact CG-CE1 3.58Å; F131-F172 HydrophobicContact CG-CE1 3.58Å; F131-L173 HydrophobicContact CD2-CB 4.28Å; F131-L173 HydrophobicContact CD2-CD1 4.44Å; F131-L173 HydrophobicContact CE2-CB 4.03Å; F131-L173 HydrophobicContact CE2-CD1 3.98Å; F131-L173 HydrophobicContact CE2-CG 3.91Å; F131-Q176 VanDerWaalsContact CZ-OE1 3.25Å
132	A	77.8	Confident	72	Confident	49 Å²	49	43.5 Å²	43.5	41%	0.405	26%	0.26	S	S	.	.	H	α-helix	trans	-59.2	-36.8	174.6	0	0	0	0	0	110.9	G128 D129 E135 S136	G128-A132 WeakPolarHBondContact O-CB 3.23Å; G128-A132 PolarHBondContact O-N 2.97Å; D129-A132 WeakPolarHBondContact O-CB 3.46Å; D129-A132 PolarHBondContact O-N 3.1Å; A132-E135 PolarHBondContact O-N 3.36Å; A132-S136 WeakPolarHBondContact O-CB 3.3Å; A132-S136 PolarHBondContact O-N 2.89Å; A132-S136 PolarHBondContact O-OG 3.2Å
133	E	82.1	Confident	73.9	Confident	62 Å²	62	42.6 Å²	42.6	29%	0.29	25%	0.253	S	S	.	.	H	α-helix	trans	-59.5	-44.5	169.8	-71	-178.6	-166.4	0	0	111.9	R115 D129 F131 S136	R115-E133 IonicContact CZ-OE1 2.83Å; R115-E133 IonicContact NH1-OE1 3.18Å; R115-E133 PolarHBondContact NH1-OE1 3.27Å; R115-E133 IonicContact NH1-OE2 2.68Å; R115-E133 IonicContact NH2-OE1 3.2Å; R115-E133 PolarHBondContact NH2-OE1 3.15Å; D129-E133 PolarHBondContact O-N 3.16Å; F131-E133 PolarHBondContact O-N 3.45Å; E133-S136 PolarHBondContact O-OG 3.1Å
134	I	81.9	Confident	75.8	Confident	11 Å²	11	42.9 Å²	42.9	6%	0.056	26%	0.255	C	S	.	.	H	α-helix	trans	-68.9	-40.2	178.1	-69.3	170.1	0	0	0	111.9	T108 S130 F131 L137 C144 I169	T108-I134 HydrophobicContact CG2-CD1 4.28Å; T108-I134 HydrophobicContact CG2-CG1 4.15Å; S130-I134 WeakPolarHBondContact O-CG1 3.24Å; S130-I134 PolarHBondContact O-N 2.81Å; F131-I134 CarbonylContact O-C 3.54Å; F131-I134 WeakPolarHBondContact O-CA 3.32Å; F131-I134 WeakPolarHBondContact O-CB 3.34Å; F131-I134 PolarHBondContact O-N 3.4Å; I134-L137 VanDerWaalsContact O-CB 3.25Å; I134-L137 WeakPolarHBondContact O-CB 3.37Å; I134-L137 WeakPolarHBondContact O-CG 3.4Å; I134-L137 PolarHBondContact O-N 2.98Å; I134-C144 HydrophobicContact CG2-CB 4.18Å; I134-C144 WeakPolarHBondContact CG2-SG 3.37Å; I134-I169 HydrophobicContact CD1-CD1 4.2Å; I134-I169 HydrophobicContact CD1-CG2 3.69Å
135	E	81.6	Confident	77.5	Confident	110 Å²	110	45.1 Å²	45.1	51%	0.514	27%	0.266	S	S	.	.	H	α-helix	trans	-69.1	-37.2	178.9	-172.2	177.1	-154.2	0	0	110.9	F131 A132 L137 G138	F131-E135 HydrophobicContact CD1-CB 4.45Å; F131-E135 HydrophobicContact CE1-CB 4.06Å; F131-E135 HydrophobicContact CE1-CG 4.4Å; F131-E135 WeakPolarHBondContact CE1-OE2 3.41Å; F131-E135 HydrophobicContact CZ-CB 4.36Å; F131-E135 WeakPolarHBondContact O-CB 3.41Å; F131-E135 PolarHBondContact O-N 3.25Å; A132-E135 PolarHBondContact O-N 3.36Å; E135-L137 PolarHBondContact O-N 3.32Å; E135-G138 PolarHBondContact O-N 2.78Å
136	S	85.6	Confident	79.4	Confident	96 Å²	96	42.2 Å²	42.2	67%	0.671	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.3	176.1	77.3	0	0	0	0	113.9	A132 E133 G138	A132-S136 WeakPolarHBondContact O-CB 3.3Å; A132-S136 PolarHBondContact O-N 2.89Å; A132-S136 PolarHBondContact O-OG 3.2Å; E133-S136 PolarHBondContact O-OG 3.1Å; S136-G138 PolarHBondContact O-N 2.85Å
137	L	84.6	Confident	81.2	Confident	36 Å²	36	42.1 Å²	42.1	19%	0.188	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.7	171.5	-54.6	-179	0	0	0	112.5	V101 Q104 I105 I134 E135 M139	V101-L137 HydrophobicContact CG1-CD1 4.25Å; Q104-L137 HydrophobicContact CG-CD1 4.39Å; Q104-L137 HydrophobicContact CG-CD2 3.95Å; I105-L137 HydrophobicContact CG1-CD1 4.41Å; I134-L137 VanDerWaalsContact O-CB 3.25Å; I134-L137 WeakPolarHBondContact O-CB 3.37Å; I134-L137 WeakPolarHBondContact O-CG 3.4Å; I134-L137 PolarHBondContact O-N 2.98Å; E135-L137 PolarHBondContact O-N 3.32Å; L137-M139 HydrophobicContact CB-CB 4.47Å; L137-M139 HydrophobicContact CB-CG 3.88Å; L137-M139 WeakPolarHBondContact O-CG 3.5Å; L137-M139 PolarHBondContact O-N 3.12Å
138	G	81.8	Confident	82.7	Confident	69 Å²	69	41.8 Å²	41.8	71%	0.711	25%	0.25	S	C	*	.			trans	65.5	25.6	179.5	0	0	0	0	0	113.8	E135 S136	E135-G138 PolarHBondContact O-N 2.78Å; S136-G138 PolarHBondContact O-N 2.85Å
139	M	85.2	Confident	84	Confident	60 Å²	60	42.5 Å²	42.5	30%	0.296	25%	0.248	S	C	.	.			trans	-99.2	156.8	-173.5	-63.7	-59	-49	0	0	112.3	T97 V101 L137 E141 F143	T97-M139 HydrophobicContact CG2-CE 3.25Å; T97-M139 HydrophobicContact CG2-SD 3.94Å; V101-M139 HydrophobicContact CG1-CG 4.25Å; V101-M139 HydrophobicContact CG2-CE 4.09Å; V101-M139 HydrophobicContact CG2-CG 3.52Å; V101-M139 HydrophobicContact CG2-SD 3.91Å; L137-M139 HydrophobicContact CB-CB 4.47Å; L137-M139 HydrophobicContact CB-CG 3.88Å; L137-M139 WeakPolarHBondContact O-CG 3.5Å; L137-M139 PolarHBondContact O-N 3.12Å; M139-E141 PolarHBondContact O-N 2.89Å; M139-F143 HydrophobicContact CE-CD2 3.67Å; M139-F143 HydrophobicContact CE-CE2 3.68Å
140	P	84.2	Confident	85.1	Confident	58 Å²	58	43.3 Å²	43.3	38%	0.377	25%	0.248	S	C	.	.			trans	-57.5	135.3	173.9	-23.1	34.7	0	0	0	111.7	H142 F143	P140-H142 WeakPolarHBondContact CB-CE1 3.27Å; P140-H142 PolarHBondContact O-N 2.83Å; P140-H142 VanDerWaalsContact O-N 3.15Å; P140-F143 WeakPolarHBondContact O-CB 3.33Å; P140-F143 PolarHBondContact O-N 3.19Å
141	E	82.8	Confident	86.1	Confident	80 Å²	80	43.3 Å²	43.3	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-57.1	-36.3	-173.5	-61.6	174.4	-174.2	0	0	112.7	M139 F143 C144 E145 N177 R180	M139-E141 PolarHBondContact O-N 2.89Å; E141-F143 PolarHBondContact O-N 3.17Å; E141-C144 WeakPolarHBondContact O-CB 3.44Å; E141-C144 PolarHBondContact O-N 3.04Å; E141-E145 PolarHBondContact O-N 3.03Å; E141-N177 VanDerWaalsContact OE2-CG 3.24Å; E141-N177 PolarHBondContact OE2-ND2 3.15Å; E141-N177 PolarHBondContact OE2-OD1 3.43Å; E141-R180 IonicContact OE1-CZ 3.06Å; E141-R180 IonicContact OE1-NH1 2.95Å; E141-R180 PolarHBondContact OE1-NH1 3.07Å; E141-R180 IonicContact OE1-NH2 3.05Å; E141-R180 PolarHBondContact OE1-NH2 3.42Å; E141-R180 IonicContact OE2-NH2 3.98Å
142	H	85.4	Confident	87	Confident	41 Å²	41	45 Å²	45	19%	0.19	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-21.7	179.7	61.4	-98	0	0	0	113.4	L79 F82 P140 D146	L79-H142 HydrophobicContact CD2-CB 4.5Å; F82-H142 HydrophobicContact CD2-CB 4.23Å; F82-H142 AromaticContact CD2-CD2 3.63Å; F82-H142 AromaticContact CD2-CG 3.84Å; F82-H142 HydrophobicContact CE1-CB 4.38Å; F82-H142 HydrophobicContact CE2-CB 3.59Å; F82-H142 AromaticContact CE2-CD2 3.89Å; F82-H142 AromaticContact CE2-CG 3.72Å; F82-H142 HydrophobicContact CZ-CB 3.68Å; F82-H142 AromaticContact CZ-CG 3.99Å; P140-H142 WeakPolarHBondContact CB-CE1 3.27Å; P140-H142 PolarHBondContact O-N 2.83Å; P140-H142 VanDerWaalsContact O-N 3.15Å; H142-D146 WeakPolarHBondContact O-CB 3.37Å; H142-D146 PolarHBondContact O-N 3.3Å
143	F	89.4	Confident	87.5	Confident	1 Å²	1	47.7 Å²	47.7	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-70.5	-43.2	172.3	-76.4	8.3	0	0	0	111.6	L79 Y83 E94 R98 M139 P140 E141 E147	L79-F143 HydrophobicContact CD1-CD1 3.76Å; L79-F143 HydrophobicContact CD1-CE1 3.91Å; Y83-F143 WeakPolarHBondContact OH-CZ 3.36Å; E94-F143 WeakPolarHBondContact OE1-CZ 3.49Å; R98-F143 HydrophobicContact CB-CD2 4.35Å; R98-F143 HydrophobicContact CB-CE2 4.01Å; R98-F143 HydrophobicContact CB-CZ 4.34Å; R98-F143 VanDerWaalsContact CD-CG 3.47Å; M139-F143 HydrophobicContact CE-CD2 3.67Å; M139-F143 HydrophobicContact CE-CE2 3.68Å; P140-F143 WeakPolarHBondContact O-CB 3.33Å; P140-F143 PolarHBondContact O-N 3.19Å; E141-F143 PolarHBondContact O-N 3.17Å; F143-E147 PolarHBondContact O-N 2.91Å; F143-E147 VanDerWaalsContact O-N 3.1Å
144	C	89.4	Confident	87.7	Confident	9 Å²	9	46.5 Å²	46.5	6%	0.061	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-48.9	177.6	-178.1	0	0	0	0	110.6	I105 I134 E141 D146 E147 L148 L173	I105-C144 HydrophobicContact CD1-CB 4.07Å; I134-C144 HydrophobicContact CG2-CB 4.18Å; I134-C144 WeakPolarHBondContact CG2-SG 3.37Å; E141-C144 WeakPolarHBondContact O-CB 3.44Å; E141-C144 PolarHBondContact O-N 3.04Å; C144-D146 VanDerWaalsContact C-N 3.34Å; C144-D146 PolarHBondContact O-N 3.4Å; C144-E147 PolarHBondContact O-N 3.47Å; C144-L148 VanDerWaalsContact O-CG 3.32Å; C144-L148 WeakPolarHBondContact O-CG 3.28Å; C144-L148 PolarHBondContact O-N 3.37Å; C144-L173 HydrophobicContact CB-CD1 4.01Å; C144-L173 WeakPolarHBondContact SG-CD1 3.44Å
145	E	90.1	Very high	87.7	Confident	49 Å²	49	50.7 Å²	50.7	23%	0.229	29%	0.285	C	S	.	.	H	α-helix	trans	-57.7	-46	178.5	-172.4	174	-177	0	0	112.2	E141 E147 L148 L149 L170 R174	E141-E145 PolarHBondContact O-N 3.03Å; E145-E147 PolarHBondContact O-N 3.36Å; E145-L148 PolarHBondContact O-N 3.11Å; E145-L149 HydrophobicContact CG-CD1 3.95Å; E145-L149 HydrophobicContact CG-CG 4.42Å; E145-L149 WeakPolarHBondContact O-CB 3.48Å; E145-L149 VanDerWaalsContact O-CG 3.24Å; E145-L149 WeakPolarHBondContact O-CG 3.21Å; E145-L149 PolarHBondContact O-N 3.14Å; E145-L170 HydrophobicContact CG-CD1 3.8Å; E145-R174 IonicContact OE1-CZ 3.54Å; E145-R174 IonicContact OE1-NE 2.68Å; E145-R174 PolarHBondContact OE1-NE 3.3Å; E145-R174 IonicContact OE1-NH2 3.47Å; E145-R174 PolarHBondContact OE1-NH2 2.88Å
146	D	92.2	Very high	87.3	Confident	14 Å²	14	53.9 Å²	53.9	8%	0.075	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-41.2	178	178.7	-98.8	0	0	0	112.4	W76 L79 R98 H142 C144 L149 F150	W76-D146 VanDerWaalsContact CD1-OD1 3.28Å; L79-D146 HydrophobicContact CD1-CB 4.32Å; L79-D146 HydrophobicContact CD2-CB 3.73Å; L79-D146 HydrophobicContact CG-CB 4.23Å; R98-D146 IonicContact CZ-OD1 3.89Å; R98-D146 IonicContact NE-OD1 3.6Å; R98-D146 IonicContact NH2-OD1 2.77Å; R98-D146 PolarHBondContact NH2-OD1 3.2Å; H142-D146 WeakPolarHBondContact O-CB 3.37Å; H142-D146 PolarHBondContact O-N 3.3Å; C144-D146 VanDerWaalsContact C-N 3.34Å; C144-D146 PolarHBondContact O-N 3.4Å; D146-L149 PolarHBondContact O-N 2.86Å; D146-F150 WeakPolarHBondContact O-CB 3.48Å; D146-F150 PolarHBondContact O-N 2.96Å
147	E	93.1	Very high	86.9	Confident	8 Å²	8	54.4 Å²	54.4	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-65.1	-44.7	176.9	-168.5	69.3	-166.6	0	0	112.1	R98 G102 I105 R106 F143 C144 E145 F150 I151	R98-E147 IonicContact CZ-OE2 3.72Å; R98-E147 VanDerWaalsContact CZ-OE2 3.23Å; R98-E147 IonicContact NH1-OE2 2.72Å; R98-E147 PolarHBondContact NH1-OE2 2.92Å; R98-E147 IonicContact NH2-OE2 3.38Å; R98-E147 PolarHBondContact NH2-OE2 2.94Å; G102-E147 VanDerWaalsContact CA-CD 3.46Å; I105-E147 HydrophobicContact CB-CG 4.15Å; I105-E147 HydrophobicContact CD1-CB 3.91Å; I105-E147 HydrophobicContact CD1-CG 4.24Å; I105-E147 HydrophobicContact CG2-CB 4.34Å; I105-E147 HydrophobicContact CG2-CG 4.03Å; R106-E147 IonicContact CZ-OE1 2.92Å; R106-E147 IonicContact NE-OE1 3.94Å; R106-E147 PolarHBondContact NE-OE1 3.47Å; R106-E147 IonicContact NH2-OE1 3.81Å; R106-E147 PolarHBondContact NH2-OE1 2.94Å; F143-E147 PolarHBondContact O-N 2.91Å; F143-E147 VanDerWaalsContact O-N 3.1Å; C144-E147 PolarHBondContact O-N 3.47Å; E145-E147 PolarHBondContact O-N 3.36Å; E147-F150 WeakPolarHBondContact O-CB 3.38Å; E147-F150 PolarHBondContact O-N 3.42Å; E147-I151 WeakPolarHBondContact O-CG1 3.34Å; E147-I151 PolarHBondContact O-N 3.49Å
148	L	92.3	Very high	87	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-44.1	177.3	-66.7	170.4	0	0	0	110.7	I105 V109 C144 E145 F150 I151 L152 A166 I169 L170	I105-L148 HydrophobicContact CG2-CD2 3.94Å; I105-L148 HydrophobicContact CG2-CG 4.32Å; V109-L148 HydrophobicContact CG2-CD2 3.96Å; C144-L148 VanDerWaalsContact O-CG 3.32Å; C144-L148 WeakPolarHBondContact O-CG 3.28Å; C144-L148 PolarHBondContact O-N 3.37Å; E145-L148 PolarHBondContact O-N 3.11Å; L148-F150 VanDerWaalsContact C-N 3.3Å; L148-F150 PolarHBondContact O-N 3.45Å; L148-I151 WeakPolarHBondContact O-CB 3.29Å; L148-I151 PolarHBondContact O-N 3.21Å; L148-L152 VanDerWaalsContact O-CG 3.3Å; L148-L152 WeakPolarHBondContact O-CG 3.43Å; L148-L152 PolarHBondContact O-N 3.07Å; L148-A166 HydrophobicContact CD2-CB 3.91Å; L148-I169 HydrophobicContact CD1-CB 4.31Å; L148-I169 HydrophobicContact CD1-CG2 3.75Å; L148-I169 HydrophobicContact CD2-CB 4.27Å; L148-I169 HydrophobicContact CD2-CG2 4.24Å; L148-L170 HydrophobicContact CB-CB 4.24Å; L148-L170 HydrophobicContact CB-CD1 4.42Å; L148-L170 HydrophobicContact CD1-CB 4.05Å; L148-L170 HydrophobicContact CD1-CD1 4.33Å
149	L	92.2	Very high	87.4	Confident	36 Å²	36	56.9 Å²	56.9	19%	0.188	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-36.8	174	-74.2	172	0	0	0	112	E145 D146 L152 N153 L170	E145-L149 HydrophobicContact CG-CD1 3.95Å; E145-L149 HydrophobicContact CG-CG 4.42Å; E145-L149 WeakPolarHBondContact O-CB 3.48Å; E145-L149 VanDerWaalsContact O-CG 3.24Å; E145-L149 WeakPolarHBondContact O-CG 3.21Å; E145-L149 PolarHBondContact O-N 3.14Å; D146-L149 PolarHBondContact O-N 2.86Å; L149-L152 PolarHBondContact O-N 3.21Å; L149-N153 WeakPolarHBondContact O-CB 3.33Å; L149-N153 VanDerWaalsContact O-CG 3.32Å; L149-N153 PolarHBondContact O-N 3.25Å; L149-N153 PolarHBondContact O-ND2 2.9Å; L149-L170 HydrophobicContact CD2-CD2 3.68Å; L149-L170 HydrophobicContact CG-CD2 4.11Å
150	F	91.7	Very high	87.8	Confident	110 Å²	110	55.1 Å²	55.1	48%	0.482	27%	0.273	S	S	.	.	H	α-helix	trans	-62.8	-43.9	175	178.9	-83.5	0	0	0	111.2	D146 E147 L148 L152 N153 S154	D146-F150 WeakPolarHBondContact O-CB 3.48Å; D146-F150 PolarHBondContact O-N 2.96Å; E147-F150 WeakPolarHBondContact O-CB 3.38Å; E147-F150 PolarHBondContact O-N 3.42Å; L148-F150 VanDerWaalsContact C-N 3.3Å; L148-F150 PolarHBondContact O-N 3.45Å; F150-L152 VanDerWaalsContact C-N 3.34Å; F150-L152 PolarHBondContact O-N 3.38Å; F150-N153 PolarHBondContact O-N 3.3Å; F150-S154 PolarHBondContact O-N 2.8Å
151	I	92	Very high	88.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-47.9	174.4	-68.1	166.9	0	0	0	110.3	R106 V109 E147 L148 N153 S154 L162 K163 A166	R106-I151 HydrophobicContact CG-CD1 3.98Å; R106-I151 HydrophobicContact CG-CG1 4.5Å; V109-I151 HydrophobicContact CG2-CD1 4.41Å; E147-I151 WeakPolarHBondContact O-CG1 3.34Å; E147-I151 PolarHBondContact O-N 3.49Å; L148-I151 WeakPolarHBondContact O-CB 3.29Å; L148-I151 PolarHBondContact O-N 3.21Å; I151-N153 VanDerWaalsContact C-N 3.3Å; I151-N153 PolarHBondContact O-N 3.33Å; I151-S154 WeakPolarHBondContact O-CB 3.43Å; I151-S154 PolarHBondContact O-N 3.44Å; I151-S154 PolarHBondContact O-OG 2.78Å; I151-L162 HydrophobicContact CD1-CD2 4.45Å; I151-L162 HydrophobicContact CD1-CG 4.48Å; I151-L162 HydrophobicContact CG1-CD2 4.26Å; I151-L162 HydrophobicContact CG2-CB 4.38Å; I151-L162 HydrophobicContact CG2-CD2 3.78Å; I151-L162 HydrophobicContact CG2-CG 3.68Å; I151-K163 HydrophobicContact CG2-CG 4.22Å; I151-K163 WeakPolarHBondContact O-CG 3.42Å; I151-A166 HydrophobicContact CB-CB 4.06Å; I151-A166 HydrophobicContact CD1-CB 4.26Å; I151-A166 HydrophobicContact CG2-CB 3.62Å
152	L	91.6	Very high	88.6	Confident	47 Å²	47	50.6 Å²	50.6	25%	0.246	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-35.6	-178.9	-67.1	176.8	0	0	0	113.4	L148 L149 F150 S154 K163 A166 K167 L170	L148-L152 VanDerWaalsContact O-CG 3.3Å; L148-L152 WeakPolarHBondContact O-CG 3.43Å; L148-L152 PolarHBondContact O-N 3.07Å; L149-L152 PolarHBondContact O-N 3.21Å; F150-L152 VanDerWaalsContact C-N 3.34Å; F150-L152 PolarHBondContact O-N 3.38Å; L152-S154 VanDerWaalsContact C-N 3.34Å; L152-K163 HydrophobicContact CD2-CB 4.19Å; L152-K163 WeakPolarHBondContact CD2-O 3.46Å; L152-A166 HydrophobicContact CD2-CB 4.29Å; L152-A166 HydrophobicContact CG-CB 4.5Å; L152-K167 HydrophobicContact CD2-CB 3.74Å; L152-L170 HydrophobicContact CD1-CD2 3.56Å
153	N	89.1	Confident	88.9	Confident	105 Å²	105	49.8 Å²	49.8	56%	0.561	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	0.9	-179	-67.9	-52.8	0	0	0	113.9	L149 F150 I151	L149-N153 WeakPolarHBondContact O-CB 3.33Å; L149-N153 VanDerWaalsContact O-CG 3.32Å; L149-N153 PolarHBondContact O-N 3.25Å; L149-N153 PolarHBondContact O-ND2 2.9Å; F150-N153 PolarHBondContact O-N 3.3Å; I151-N153 VanDerWaalsContact C-N 3.3Å; I151-N153 PolarHBondContact O-N 3.33Å
154	S	86.1	Confident	89	Confident	37 Å²	37	50.2 Å²	50.2	26%	0.259	25%	0.247	S	C	.	.	S	Bend	trans	-68.6	165.5	173.6	67.9	0	0	0	0	112.5	F150 I151 L152 K156 K163	F150-S154 PolarHBondContact O-N 2.8Å; I151-S154 WeakPolarHBondContact O-CB 3.43Å; I151-S154 PolarHBondContact O-N 3.44Å; I151-S154 PolarHBondContact O-OG 2.78Å; L152-S154 VanDerWaalsContact C-N 3.34Å; S154-K156 PolarHBondContact O-N 3.39Å; S154-K156 VanDerWaalsContact O-N 3.12Å; S154-K163 VanDerWaalsContact O-CE 3.29Å; S154-K163 WeakPolarHBondContact O-CE 3.27Å; S154-K163 PolarHBondContact O-NZ 2.8Å; S154-K163 WeakPolarHBondContact OG-CE 3.44Å
155	D	80.9	Confident	89	Confident	98 Å²	98	50 Å²	50	52%	0.524	24%	0.244	S	C	.	.			trans	-36.7	114.4	-174.2	-179.4	-14.6	0	0	0	113.2	R157 K158 K163	D155-R157 PolarHBondContact O-N 3.41Å; D155-R157 PolarHBondContact OD1-N 3.37Å; D155-K158 HydrophobicContact CB-CB 4.42Å; D155-K158 PolarHBondContact O-N 3.43Å; D155-K163 PolarHBondContact O-NZ 2.96Å
156	K	72.7	Confident	89.1	Confident	177 Å²	177	47.6 Å²	47.6	77%	0.77	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.5	-41.3	-167.6	-73.4	-172.9	178	-178	0	114	S154 K163	S154-K156 PolarHBondContact O-N 3.39Å; S154-K156 VanDerWaalsContact O-N 3.12Å; K156-K163 PolarHBondContact O-NZ 3.35Å
157	R	78.2	Confident	89.1	Confident	107 Å²	107	51.7 Å²	51.7	40%	0.404	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-13.4	-172.5	-67.4	-179.3	177.7	166.4	2.6	114.3	D155 E568 E580 F581 E583	D155-R157 PolarHBondContact O-N 3.41Å; D155-R157 PolarHBondContact OD1-N 3.37Å; R157-E568 IonicContact NE-OE2 3.08Å; R157-E580 WeakPolarHBondContact O-CA 3.33Å; R157-F581 HydrophobicContact CG-CD1 4.4Å; R157-F581 PolarHBondContact O-N 3.33Å; R157-E583 IonicContact NH1-OE1 2.71Å
158	K	87.1	Confident	88.8	Confident	100 Å²	100	52.5 Å²	52.5	44%	0.435	25%	0.254	S	S	.	.	S	Bend	trans	-105.7	160.9	-178	-64.6	-171.4	175.3	-175.2	0	112.2	D155 L160 K163 E580	D155-K158 HydrophobicContact CB-CB 4.42Å; D155-K158 PolarHBondContact O-N 3.43Å; K158-L160 PolarHBondContact O-N 3.11Å; K158-K163 WeakPolarHBondContact O-CE 3.34Å; K158-K163 PolarHBondContact O-NZ 2.9Å; K158-E580 VanDerWaalsContact CE-OE1 3.29Å; K158-E580 WeakPolarHBondContact CE-OE1 3.46Å; K158-E580 HydrophobicContact CG-CG 4.32Å
159	S	89.6	Confident	88.5	Confident	57 Å²	57	52.6 Å²	52.6	40%	0.399	25%	0.254	S	S	.	.			trans	56.1	38.3	174	-51.5	0	0	0	0	112.8	T161 L162 K163 S579	S159-T161 VanDerWaalsContact C-N 3.3Å; S159-T161 PolarHBondContact O-N 3.3Å; S159-L162 PolarHBondContact O-N 2.67Å; S159-K163 WeakPolarHBondContact O-CG 3.37Å; S159-K163 PolarHBondContact O-N 3.4Å; S159-S579 CarbonylContact C-O 3.59Å; S159-S579 WeakPolarHBondContact CA-O 3.4Å; S159-S579 PolarHBondContact N-O 2.97Å
160	L	92.9	Very high	88.4	Confident	24 Å²	24	51 Å²	51	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-42.1	-176.5	-63.3	178.8	0	0	0	111.4	K158 K163 Y164 V574 G575 F578 S579 F581 Y586	K158-L160 PolarHBondContact O-N 3.11Å; L160-K163 PolarHBondContact O-N 2.96Å; L160-Y164 WeakPolarHBondContact O-CB 3.32Å; L160-Y164 PolarHBondContact O-N 3.3Å; L160-V574 HydrophobicContact CD1-CG1 3.98Å; L160-G575 WeakPolarHBondContact O-CA 3.42Å; L160-F578 VanDerWaalsContact CB-O 3.29Å; L160-F578 WeakPolarHBondContact CB-O 3.33Å; L160-S579 PolarHBondContact N-O 3.37Å; L160-F581 HydrophobicContact CD1-CB 4.47Å; L160-Y586 HydrophobicContact CD1-CD1 4.13Å; L160-Y586 HydrophobicContact CD1-CE1 4.03Å
161	T	92.3	Very high	88.3	Confident	16 Å²	16	47.3 Å²	47.3	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-47.7	174.2	-50.2	0	0	0	0	113.3	S159 K163 Y164 Y165 G575 F578	S159-T161 VanDerWaalsContact C-N 3.3Å; S159-T161 PolarHBondContact O-N 3.3Å; T161-K163 VanDerWaalsContact C-N 3.3Å; T161-K163 PolarHBondContact O-N 2.88Å; T161-Y164 WeakPolarHBondContact O-CB 3.41Å; T161-Y164 PolarHBondContact O-N 3Å; T161-Y165 HydrophobicContact CG2-CD2 3.86Å; T161-Y165 HydrophobicContact CG2-CE2 3.66Å; T161-Y165 VanDerWaalsContact O-CD2 3.27Å; T161-Y165 WeakPolarHBondContact O-CD2 3.27Å; T161-Y165 PolarHBondContact O-N 3.23Å; T161-Y165 VanDerWaalsContact O-N 3.16Å; T161-G575 WeakPolarHBondContact CA-O 3.49Å; T161-G575 WeakPolarHBondContact CB-O 3.23Å; T161-G575 PolarHBondContact N-O 2.73Å; T161-G575 PolarHBondContact OG1-O 3.28Å; T161-F578 PolarHBondContact N-O 3.19Å; T161-F578 PolarHBondContact OG1-O 3.13Å
162	L	91.9	Very high	88	Confident	26 Å²	26	48.4 Å²	48.4	14%	0.136	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-43.2	178.1	-169.2	73.3	0	0	0	111.1	V109 E110 I151 S159 A166	V109-L162 HydrophobicContact CB-CD1 4Å; V109-L162 HydrophobicContact CG1-CD1 3.63Å; V109-L162 HydrophobicContact CG1-CG 4.23Å; V109-L162 WeakPolarHBondContact CG1-O 3.25Å; E110-L162 HydrophobicContact CG-CD1 3.53Å; I151-L162 HydrophobicContact CD1-CD2 4.45Å; I151-L162 HydrophobicContact CD1-CG 4.48Å; I151-L162 HydrophobicContact CG1-CD2 4.26Å; I151-L162 HydrophobicContact CG2-CB 4.38Å; I151-L162 HydrophobicContact CG2-CD2 3.78Å; I151-L162 HydrophobicContact CG2-CG 3.68Å; S159-L162 PolarHBondContact O-N 2.67Å; L162-A166 WeakPolarHBondContact O-CB 3.48Å; L162-A166 PolarHBondContact O-N 3.14Å
163	K	92.5	Very high	87.8	Confident	24 Å²	24	46.4 Å²	46.4	10%	0.104	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-41	177.4	-72.3	170.9	173.8	170.5	0	112.8	I151 L152 S154 D155 K156 K158 S159 L160 T161 A166 K167	I151-K163 HydrophobicContact CG2-CG 4.22Å; I151-K163 WeakPolarHBondContact O-CG 3.42Å; L152-K163 HydrophobicContact CD2-CB 4.19Å; L152-K163 WeakPolarHBondContact CD2-O 3.46Å; S154-K163 VanDerWaalsContact O-CE 3.29Å; S154-K163 WeakPolarHBondContact O-CE 3.27Å; S154-K163 PolarHBondContact O-NZ 2.8Å; S154-K163 WeakPolarHBondContact OG-CE 3.44Å; D155-K163 PolarHBondContact O-NZ 2.96Å; K156-K163 PolarHBondContact O-NZ 3.35Å; K158-K163 WeakPolarHBondContact O-CE 3.34Å; K158-K163 PolarHBondContact O-NZ 2.9Å; S159-K163 WeakPolarHBondContact O-CG 3.37Å; S159-K163 PolarHBondContact O-N 3.4Å; L160-K163 PolarHBondContact O-N 2.96Å; T161-K163 VanDerWaalsContact C-N 3.3Å; T161-K163 PolarHBondContact O-N 2.88Å; K163-A166 PolarHBondContact O-N 3.47Å; K163-K167 VanDerWaalsContact O-CB 3.27Å; K163-K167 WeakPolarHBondContact O-CB 3.24Å; K163-K167 PolarHBondContact O-N 3.48Å
164	Y	91.1	Very high	87.8	Confident	11 Å²	11	43 Å²	43	4%	0.043	20%	0.203	C	C	.	.	H	α-helix	trans	-57.6	-52.2	178.7	176.8	-93.7	0	0	0	110.9	P121 L160 T161 K167 K168 E573 R576	P121-Y164 HydrophobicContact CG-CE1 4.22Å; P121-Y164 WeakPolarHBondContact CG-OH 3.27Å; L160-Y164 WeakPolarHBondContact O-CB 3.32Å; L160-Y164 PolarHBondContact O-N 3.3Å; T161-Y164 WeakPolarHBondContact O-CB 3.41Å; T161-Y164 PolarHBondContact O-N 3Å; Y164-K167 WeakPolarHBondContact O-CB 3.35Å; Y164-K167 PolarHBondContact O-N 3.09Å; Y164-K168 HydrophobicContact CE1-CG 4.3Å; Y164-K168 WeakPolarHBondContact O-CG 3.46Å; Y164-K168 PolarHBondContact O-N 3.49Å; Y164-K168 VanDerWaalsContact O-N 3.15Å; Y164-K168 VanDerWaalsContact OH-CE 3.28Å; Y164-K168 WeakPolarHBondContact OH-CE 3.35Å; Y164-E573 VanDerWaalsContact CE2-OE1 3.24Å; Y164-E573 WeakPolarHBondContact CE2-OE1 3.02Å; Y164-E573 VanDerWaalsContact OH-CD 3.22Å; Y164-E573 PolarHBondContact OH-OE1 2.92Å; Y164-E573 VanDerWaalsContact OH-OE1 3.04Å; Y164-E573 PolarHBondContact OH-OE2 3.22Å; Y164-R576 HydrophobicContact CD1-CB 4.18Å; Y164-R576 HydrophobicContact CD2-CB 4.46Å; Y164-R576 HydrophobicContact CE1-CB 3.88Å; Y164-R576 HydrophobicContact CE1-CG 4.21Å; Y164-R576 HydrophobicContact CE2-CB 4.17Å; Y164-R576 HydrophobicContact CG-CB 4.46Å
165	Y	90.3	Very high	88	Confident	3 Å²	3	41.7 Å²	41.7	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-71.8	-37.5	179.7	-68.4	-65.1	0	0	0	112.5	I112 T161 K167 K168 I169	I112-Y165 HydrophobicContact CB-CD1 3.94Å; I112-Y165 HydrophobicContact CB-CE1 4.35Å; I112-Y165 HydrophobicContact CB-CG 4.06Å; I112-Y165 HydrophobicContact CG2-CD1 3.28Å; I112-Y165 HydrophobicContact CG2-CE1 3.5Å; I112-Y165 HydrophobicContact CG2-CG 3.93Å; T161-Y165 HydrophobicContact CG2-CD2 3.86Å; T161-Y165 HydrophobicContact CG2-CE2 3.66Å; T161-Y165 VanDerWaalsContact O-CD2 3.27Å; T161-Y165 WeakPolarHBondContact O-CD2 3.27Å; T161-Y165 PolarHBondContact O-N 3.23Å; T161-Y165 VanDerWaalsContact O-N 3.16Å; Y165-K167 VanDerWaalsContact C-N 3.27Å; Y165-K167 PolarHBondContact O-N 3.3Å; Y165-K168 PolarHBondContact O-N 3.41Å; Y165-K168 VanDerWaalsContact O-N 3.17Å; Y165-I169 WeakPolarHBondContact O-CG1 3.37Å; Y165-I169 PolarHBondContact O-N 2.94Å
166	A	91.4	Very high	88.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-38.6	173	0	0	0	0	0	112.1	V109 L148 I151 L152 L162 K163 L170	V109-A166 HydrophobicContact CG1-CB 4.16Å; L148-A166 HydrophobicContact CD2-CB 3.91Å; I151-A166 HydrophobicContact CB-CB 4.06Å; I151-A166 HydrophobicContact CD1-CB 4.26Å; I151-A166 HydrophobicContact CG2-CB 3.62Å; L152-A166 HydrophobicContact CD2-CB 4.29Å; L152-A166 HydrophobicContact CG-CB 4.5Å; L162-A166 WeakPolarHBondContact O-CB 3.48Å; L162-A166 PolarHBondContact O-N 3.14Å; K163-A166 PolarHBondContact O-N 3.47Å; A166-L170 VanDerWaalsContact O-CB 3.24Å; A166-L170 WeakPolarHBondContact O-CB 3.32Å; A166-L170 PolarHBondContact O-N 2.78Å
167	K	91	Very high	89	Confident	99 Å²	99	32.5 Å²	32.5	43%	0.43	15%	0.15	S	C	.	.	H	α-helix	trans	-63.1	-44.7	175.9	-173.4	-179.5	177.8	-175.8	0	111	L152 K163 Y164 Y165 L170 Y171 L209	L152-K167 HydrophobicContact CD2-CB 3.74Å; K163-K167 VanDerWaalsContact O-CB 3.27Å; K163-K167 WeakPolarHBondContact O-CB 3.24Å; K163-K167 PolarHBondContact O-N 3.48Å; Y164-K167 WeakPolarHBondContact O-CB 3.35Å; Y164-K167 PolarHBondContact O-N 3.09Å; Y165-K167 VanDerWaalsContact C-N 3.27Å; Y165-K167 PolarHBondContact O-N 3.3Å; K167-L170 PolarHBondContact O-N 2.52Å; K167-Y171 WeakPolarHBondContact O-CB 3.42Å; K167-Y171 PolarHBondContact O-N 2.85Å; K167-L209 HydrophobicContact CD-CD1 4.04Å; K167-L209 HydrophobicContact CG-CD1 3.59Å
168	K	87.4	Confident	89.8	Confident	26 Å²	26	28.2 Å²	28.2	11%	0.113	14%	0.135	C	C	.	.	H	α-helix	trans	-67.1	-41.8	-179.9	-65.5	-79.3	-175.7	168	0	111.3	V123 L127 Y164 Y165 Y171 F172 E401 E573	V123-K168 HydrophobicContact CG2-CD 4.37Å; L127-K168 HydrophobicContact CD1-CB 3.75Å; L127-K168 HydrophobicContact CD2-CB 4.32Å; Y164-K168 HydrophobicContact CE1-CG 4.3Å; Y164-K168 WeakPolarHBondContact O-CG 3.46Å; Y164-K168 PolarHBondContact O-N 3.49Å; Y164-K168 VanDerWaalsContact O-N 3.15Å; Y164-K168 VanDerWaalsContact OH-CE 3.28Å; Y164-K168 WeakPolarHBondContact OH-CE 3.35Å; Y165-K168 PolarHBondContact O-N 3.41Å; Y165-K168 VanDerWaalsContact O-N 3.17Å; K168-Y171 WeakPolarHBondContact O-CB 3.29Å; K168-Y171 PolarHBondContact O-N 3.39Å; K168-F172 PolarHBondContact O-N 3.37Å; K168-F172 VanDerWaalsContact O-N 3.12Å; K168-E401 IonicContact NZ-OE1 3.58Å; K168-E573 IonicContact NZ-OE1 3.71Å
169	I	87.3	Confident	90	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-63.1	-47.7	173.7	-63.2	171	0	0	0	110.8	V109 I112 L127 I134 L148 Y165 Y171 F172 L173	V109-I169 HydrophobicContact CB-CD1 4.3Å; V109-I169 HydrophobicContact CG2-CD1 3.52Å; I112-I169 HydrophobicContact CD1-CD1 3.34Å; I112-I169 HydrophobicContact CD1-CG1 3.78Å; L127-I169 HydrophobicContact CD2-CG1 4.03Å; I134-I169 HydrophobicContact CD1-CD1 4.2Å; I134-I169 HydrophobicContact CD1-CG2 3.69Å; L148-I169 HydrophobicContact CD1-CB 4.31Å; L148-I169 HydrophobicContact CD1-CG2 3.75Å; L148-I169 HydrophobicContact CD2-CB 4.27Å; L148-I169 HydrophobicContact CD2-CG2 4.24Å; Y165-I169 WeakPolarHBondContact O-CG1 3.37Å; Y165-I169 PolarHBondContact O-N 2.94Å; I169-Y171 VanDerWaalsContact C-N 3.28Å; I169-Y171 PolarHBondContact O-N 3.45Å; I169-F172 PolarHBondContact O-N 3.07Å; I169-L173 WeakPolarHBondContact O-CB 3.18Å; I169-L173 PolarHBondContact O-N 3.27Å
170	L	89.6	Confident	90.1	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-42	179.7	178.8	61.9	0	0	0	111.5	E145 L148 L149 L152 A166 K167 R174 L209	E145-L170 HydrophobicContact CG-CD1 3.8Å; L148-L170 HydrophobicContact CB-CB 4.24Å; L148-L170 HydrophobicContact CB-CD1 4.42Å; L148-L170 HydrophobicContact CD1-CB 4.05Å; L148-L170 HydrophobicContact CD1-CD1 4.33Å; L149-L170 HydrophobicContact CD2-CD2 3.68Å; L149-L170 HydrophobicContact CG-CD2 4.11Å; L152-L170 HydrophobicContact CD1-CD2 3.56Å; A166-L170 VanDerWaalsContact O-CB 3.24Å; A166-L170 WeakPolarHBondContact O-CB 3.32Å; A166-L170 PolarHBondContact O-N 2.78Å; K167-L170 PolarHBondContact O-N 2.52Å; L170-R174 HydrophobicContact CD1-CG 4.11Å; L170-R174 WeakPolarHBondContact O-CB 3.28Å; L170-R174 WeakPolarHBondContact O-CG 3.43Å; L170-R174 PolarHBondContact O-N 2.9Å; L170-L209 HydrophobicContact CB-CD2 4.36Å; L170-L209 HydrophobicContact CD2-CD2 3.98Å; L170-L209 HydrophobicContact CG-CD2 3.98Å
171	Y	89.3	Confident	90.1	Very high	33 Å²	33	29.2 Å²	29.2	13%	0.129	14%	0.137	C	C	.	.	H	α-helix	trans	-55.1	-52.3	174.8	-167.8	-78.4	0	0	0	111	V123 K167 K168 I169 Q175 P208 L209 Q405 D409	V123-Y171 HydrophobicContact CG1-CD1 4.16Å; V123-Y171 HydrophobicContact CG2-CD1 4.48Å; K167-Y171 WeakPolarHBondContact O-CB 3.42Å; K167-Y171 PolarHBondContact O-N 2.85Å; K168-Y171 WeakPolarHBondContact O-CB 3.29Å; K168-Y171 PolarHBondContact O-N 3.39Å; I169-Y171 VanDerWaalsContact C-N 3.28Å; I169-Y171 PolarHBondContact O-N 3.45Å; Y171-Q175 HydrophobicContact CD1-CG 4.29Å; Y171-Q175 HydrophobicContact CE1-CG 4.15Å; Y171-Q175 VanDerWaalsContact CE1-NE2 3.31Å; Y171-Q175 VanDerWaalsContact CE1-OE1 3.28Å; Y171-Q175 WeakPolarHBondContact O-CG 3.47Å; Y171-Q175 PolarHBondContact O-N 2.87Å; Y171-Q175 VanDerWaalsContact O-N 3.07Å; Y171-P208 HydrophobicContact CD1-CG 3.81Å; Y171-P208 HydrophobicContact CD2-CG 3.39Å; Y171-P208 HydrophobicContact CE1-CG 3.71Å; Y171-P208 HydrophobicContact CE2-CG 3.24Å; Y171-P208 HydrophobicContact CG-CG 3.64Å; Y171-L209 HydrophobicContact CD2-CD1 3.96Å; Y171-L209 HydrophobicContact CD2-CD2 4.39Å; Y171-L209 HydrophobicContact CD2-CG 3.82Å; Y171-Q405 PolarHBondContact OH-NE2 3.45Å; Y171-D409 PolarHBondContact OH-OD2 2.94Å
172	F	85.9	Confident	90.3	Very high	24 Å²	24	28.5 Å²	28.5	11%	0.105	13%	0.132	C	C	.	.	H	α-helix	trans	-64.1	-47.4	-179.5	-175.8	-108.2	0	0	0	112.8	V123 F131 K168 I169 R174 Q175 Q176	V123-F172 HydrophobicContact CG1-CB 3.9Å; V123-F172 HydrophobicContact CG1-CD2 3.71Å; V123-F172 HydrophobicContact CG1-CG 4.26Å; V123-F172 WeakPolarHBondContact O-CD2 3.49Å; F131-F172 HydrophobicContact CB-CD1 3.73Å; F131-F172 HydrophobicContact CB-CE1 3.56Å; F131-F172 HydrophobicContact CD1-CD1 4.44Å; F131-F172 AromaticContact CD1-CE1 3.85Å; F131-F172 HydrophobicContact CD1-CE1 3.85Å; F131-F172 AromaticContact CD2-CD1 3.95Å; F131-F172 HydrophobicContact CD2-CD1 3.95Å; F131-F172 HydrophobicContact CD2-CE1 4.18Å; F131-F172 AromaticContact CG-CD1 3.78Å; F131-F172 HydrophobicContact CG-CD1 3.78Å; F131-F172 AromaticContact CG-CE1 3.58Å; F131-F172 HydrophobicContact CG-CE1 3.58Å; K168-F172 PolarHBondContact O-N 3.37Å; K168-F172 VanDerWaalsContact O-N 3.12Å; I169-F172 PolarHBondContact O-N 3.07Å; F172-R174 VanDerWaalsContact C-N 3.33Å; F172-R174 PolarHBondContact O-N 3.3Å; F172-Q175 WeakPolarHBondContact O-CB 3.33Å; F172-Q175 PolarHBondContact O-N 3.25Å; F172-Q176 HydrophobicContact CD1-CG 4.38Å; F172-Q176 HydrophobicContact CE1-CG 4.07Å; F172-Q176 HydrophobicContact CE2-CG 4.45Å; F172-Q176 HydrophobicContact CZ-CG 4.15Å; F172-Q176 PolarHBondContact O-N 3.28Å
173	L	86.6	Confident	90.5	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-57.7	-47.7	-179.8	-179.7	148	0	0	0	110.8	F131 C144 I169 Q175 Q176 N177	F131-L173 HydrophobicContact CD2-CB 4.28Å; F131-L173 HydrophobicContact CD2-CD1 4.44Å; F131-L173 HydrophobicContact CE2-CB 4.03Å; F131-L173 HydrophobicContact CE2-CD1 3.98Å; F131-L173 HydrophobicContact CE2-CG 3.91Å; C144-L173 HydrophobicContact CB-CD1 4.01Å; C144-L173 WeakPolarHBondContact SG-CD1 3.44Å; I169-L173 WeakPolarHBondContact O-CB 3.18Å; I169-L173 PolarHBondContact O-N 3.27Å; L173-Q175 PolarHBondContact O-N 2.91Å; L173-Q176 PolarHBondContact O-N 2.89Å; L173-N177 VanDerWaalsContact O-CG 3.22Å; L173-N177 PolarHBondContact O-N 3.44Å; L173-N177 PolarHBondContact O-OD1 2.97Å
174	R	90.2	Very high	90.6	Very high	34 Å²	34	37.5 Å²	37.5	13%	0.128	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-43.7	177.5	-74.7	-175.7	172.1	-177	-4.4	111.6	E145 L170 F172 Q176 N177 I178 P208	E145-R174 IonicContact OE1-CZ 3.54Å; E145-R174 IonicContact OE1-NE 2.68Å; E145-R174 PolarHBondContact OE1-NE 3.3Å; E145-R174 IonicContact OE1-NH2 3.47Å; E145-R174 PolarHBondContact OE1-NH2 2.88Å; L170-R174 HydrophobicContact CD1-CG 4.11Å; L170-R174 WeakPolarHBondContact O-CB 3.28Å; L170-R174 WeakPolarHBondContact O-CG 3.43Å; L170-R174 PolarHBondContact O-N 2.9Å; F172-R174 VanDerWaalsContact C-N 3.33Å; F172-R174 PolarHBondContact O-N 3.3Å; R174-Q176 VanDerWaalsContact C-N 3.35Å; R174-Q176 PolarHBondContact O-N 2.91Å; R174-N177 PolarHBondContact O-N 3.38Å; R174-I178 HydrophobicContact CB-CD1 4.42Å; R174-I178 WeakPolarHBondContact O-CB 3.48Å; R174-I178 WeakPolarHBondContact O-CD1 3.33Å; R174-I178 WeakPolarHBondContact O-CG1 3.35Å; R174-I178 PolarHBondContact O-N 2.52Å; R174-P208 HydrophobicContact CB-CB 3.93Å; R174-P208 WeakPolarHBondContact CD-O 3.25Å; R174-P208 PolarHBondContact NH1-O 3.3Å
175	Q	90.3	Very high	90.9	Very high	9 Å²	9	37 Å²	37	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-57.1	-46	175.8	-81.3	-171	-40.3	0	0	112.5	Y171 F172 L173 N177 I178 L179 Y205 P208 D409	Y171-Q175 HydrophobicContact CD1-CG 4.29Å; Y171-Q175 HydrophobicContact CE1-CG 4.15Å; Y171-Q175 VanDerWaalsContact CE1-NE2 3.31Å; Y171-Q175 VanDerWaalsContact CE1-OE1 3.28Å; Y171-Q175 WeakPolarHBondContact O-CG 3.47Å; Y171-Q175 PolarHBondContact O-N 2.87Å; Y171-Q175 VanDerWaalsContact O-N 3.07Å; F172-Q175 WeakPolarHBondContact O-CB 3.33Å; F172-Q175 PolarHBondContact O-N 3.25Å; L173-Q175 PolarHBondContact O-N 2.91Å; Q175-N177 VanDerWaalsContact C-N 3.35Å; Q175-N177 PolarHBondContact O-N 3.42Å; Q175-I178 PolarHBondContact O-N 3.41Å; Q175-L179 WeakPolarHBondContact O-CG 3.43Å; Q175-L179 PolarHBondContact O-N 2.68Å; Q175-Y205 HydrophobicContact CB-CD2 4.1Å; Q175-Y205 HydrophobicContact CB-CE2 3.63Å; Q175-Y205 HydrophobicContact CG-CD2 4.01Å; Q175-Y205 HydrophobicContact CG-CE2 3.78Å; Q175-Y205 PolarHBondContact NE2-O 2.85Å; Q175-Y205 VanDerWaalsContact NE2-O 3.14Å; Q175-P208 HydrophobicContact CG-CB 4.09Å; Q175-P208 HydrophobicContact CG-CG 3.99Å; Q175-D409 VanDerWaalsContact NE2-CG 3.26Å; Q175-D409 PolarHBondContact NE2-OD1 2.9Å; Q175-D409 VanDerWaalsContact NE2-OD1 3.1Å
176	Q	87	Confident	91.1	Very high	57 Å²	57	38.8 Å²	38.8	27%	0.266	19%	0.187	S	C	.	.	H	α-helix	trans	-61.8	-42.4	177.3	-72	-150.8	-3.8	0	0	112.8	F131 F172 L173 R174 I178 L179 R180	F131-Q176 VanDerWaalsContact CZ-OE1 3.25Å; F172-Q176 HydrophobicContact CD1-CG 4.38Å; F172-Q176 HydrophobicContact CE1-CG 4.07Å; F172-Q176 HydrophobicContact CE2-CG 4.45Å; F172-Q176 HydrophobicContact CZ-CG 4.15Å; F172-Q176 PolarHBondContact O-N 3.28Å; L173-Q176 PolarHBondContact O-N 2.89Å; R174-Q176 VanDerWaalsContact C-N 3.35Å; R174-Q176 PolarHBondContact O-N 2.91Å; Q176-I178 VanDerWaalsContact C-N 3.3Å; Q176-I178 PolarHBondContact O-N 2.88Å; Q176-L179 PolarHBondContact O-N 2.92Å; Q176-R180 PolarHBondContact O-N 3.34Å
177	N	88	Confident	91.2	Very high	24 Å²	24	42 Å²	42	13%	0.128	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-41.7	176.7	-68.5	4	0	0	0	111.5	E141 L173 R174 Q175 R180 S181	E141-N177 VanDerWaalsContact OE2-CG 3.24Å; E141-N177 PolarHBondContact OE2-ND2 3.15Å; E141-N177 PolarHBondContact OE2-OD1 3.43Å; L173-N177 VanDerWaalsContact O-CG 3.22Å; L173-N177 PolarHBondContact O-N 3.44Å; L173-N177 PolarHBondContact O-OD1 2.97Å; R174-N177 PolarHBondContact O-N 3.38Å; Q175-N177 VanDerWaalsContact C-N 3.35Å; Q175-N177 PolarHBondContact O-N 3.42Å; N177-R180 PolarHBondContact O-N 3.14Å; N177-R180 PolarHBondContact OD1-NH2 3.08Å; N177-S181 PolarHBondContact O-N 2.8Å; N177-S181 PolarHBondContact O-OG 2.74Å
178	I	93.3	Very high	91.5	Very high	17 Å²	17	40 Å²	40	9%	0.087	21%	0.211	C	C	.	.	H	α-helix	trans	-67.6	-39.4	178.4	-63.7	154.5	0	0	0	110.5	R174 Q175 Q176 R180 S181 L182 L201 Q204 Y205 P208	R174-I178 HydrophobicContact CB-CD1 4.42Å; R174-I178 WeakPolarHBondContact O-CB 3.48Å; R174-I178 WeakPolarHBondContact O-CD1 3.33Å; R174-I178 WeakPolarHBondContact O-CG1 3.35Å; R174-I178 PolarHBondContact O-N 2.52Å; Q175-I178 PolarHBondContact O-N 3.41Å; Q176-I178 VanDerWaalsContact C-N 3.3Å; Q176-I178 PolarHBondContact O-N 2.88Å; I178-R180 PolarHBondContact O-N 3.34Å; I178-S181 PolarHBondContact O-N 3.08Å; I178-L182 VanDerWaalsContact O-CB 3.31Å; I178-L182 WeakPolarHBondContact O-CB 3.11Å; I178-L182 PolarHBondContact O-N 2.87Å; I178-L201 HydrophobicContact CG2-CD2 4.19Å; I178-L201 WeakPolarHBondContact CG2-O 3.42Å; I178-Q204 HydrophobicContact CD1-CB 3.64Å; I178-Q204 WeakPolarHBondContact CD1-O 3.3Å; I178-Q204 HydrophobicContact CG1-CB 4.11Å; I178-Q204 HydrophobicContact CG2-CB 4.46Å; I178-Y205 HydrophobicContact CB-CD2 4.29Å; I178-Y205 HydrophobicContact CG2-CD2 4.17Å; I178-Y205 HydrophobicContact CG2-CG 4.5Å; I178-P208 HydrophobicContact CD1-CB 4.49Å
179	L	92.1	Very high	91.8	Very high	34 Å²	34	42 Å²	42	18%	0.178	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-39.8	174.3	-69.3	173.1	0	0	0	112.3	Q175 Q176 L182 K183 Y205 L413 T416	Q175-L179 WeakPolarHBondContact O-CG 3.43Å; Q175-L179 PolarHBondContact O-N 2.68Å; Q176-L179 PolarHBondContact O-N 2.92Å; L179-L182 PolarHBondContact O-N 2.81Å; L179-K183 WeakPolarHBondContact O-CG 3.14Å; L179-K183 PolarHBondContact O-N 3.25Å; L179-Y205 HydrophobicContact CD1-CE2 3.69Å; L179-Y205 HydrophobicContact CD2-CD2 3.89Å; L179-Y205 HydrophobicContact CD2-CE2 3.48Å; L179-Y205 VanDerWaalsContact CD2-CE2 3.48Å; L179-Y205 HydrophobicContact CG-CD2 3.92Å; L179-Y205 HydrophobicContact CG-CE2 3.37Å; L179-L413 HydrophobicContact CD2-CD1 4.23Å; L179-T416 HydrophobicContact CD2-CG2 4.01Å
180	R	91.4	Very high	92	Very high	108 Å²	108	45 Å²	45	41%	0.408	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-47.5	172.8	-75	-172.1	-81.3	151.8	-7.5	110.9	E141 Q176 N177 I178 L182 K183 T184	E141-R180 IonicContact OE1-CZ 3.06Å; E141-R180 IonicContact OE1-NH1 2.95Å; E141-R180 PolarHBondContact OE1-NH1 3.07Å; E141-R180 IonicContact OE1-NH2 3.05Å; E141-R180 PolarHBondContact OE1-NH2 3.42Å; E141-R180 IonicContact OE2-NH2 3.98Å; Q176-R180 PolarHBondContact O-N 3.34Å; N177-R180 PolarHBondContact O-N 3.14Å; N177-R180 PolarHBondContact OD1-NH2 3.08Å; I178-R180 PolarHBondContact O-N 3.34Å; R180-L182 VanDerWaalsContact C-N 3.33Å; R180-L182 PolarHBondContact O-N 3.38Å; R180-K183 PolarHBondContact O-N 2.92Å; R180-T184 PolarHBondContact O-N 2.92Å; R180-T184 PolarHBondContact O-OG1 3.37Å
181	S	94.3	Very high	91.9	Very high	60 Å²	60	53 Å²	53	42%	0.42	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-42.1	177	-52	0	0	0	0	112.1	N177 I178 T184 F185	N177-S181 PolarHBondContact O-N 2.8Å; N177-S181 PolarHBondContact O-OG 2.74Å; I178-S181 PolarHBondContact O-N 3.08Å; S181-T184 PolarHBondContact O-N 2.93Å; S181-F185 WeakPolarHBondContact O-CB 3.48Å; S181-F185 PolarHBondContact O-N 2.92Å
182	L	95.6	Very high	91.9	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-64.3	-42.6	177.1	-180	66.3	0	0	0	112.1	I178 L179 R180 T184 F185 L186 L201 L383 L413 T416 I417	I178-L182 VanDerWaalsContact O-CB 3.31Å; I178-L182 WeakPolarHBondContact O-CB 3.11Å; I178-L182 PolarHBondContact O-N 2.87Å; L179-L182 PolarHBondContact O-N 2.81Å; R180-L182 VanDerWaalsContact C-N 3.33Å; R180-L182 PolarHBondContact O-N 3.38Å; L182-T184 VanDerWaalsContact C-N 3.31Å; L182-T184 PolarHBondContact O-N 2.89Å; L182-F185 HydrophobicContact CD1-CD1 4.3Å; L182-F185 WeakPolarHBondContact O-CB 3.21Å; L182-F185 PolarHBondContact O-N 2.97Å; L182-L186 HydrophobicContact CD1-CD1 4.15Å; L182-L186 HydrophobicContact CD1-CG 4.09Å; L182-L186 HydrophobicContact CD2-CD1 4.5Å; L182-L186 HydrophobicContact CG-CD1 3.9Å; L182-L186 HydrophobicContact CG-CG 4.26Å; L182-L186 WeakPolarHBondContact O-CB 3.26Å; L182-L186 VanDerWaalsContact O-CG 3.26Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 3.1Å; L182-L201 HydrophobicContact CB-CD1 4.45Å; L182-L201 HydrophobicContact CD1-CB 4.43Å; L182-L201 HydrophobicContact CD1-CD1 4.03Å; L182-L383 HydrophobicContact CD1-CD1 4.28Å; L182-L413 HydrophobicContact CD2-CD1 3.37Å; L182-T416 HydrophobicContact CD2-CG2 4.31Å; L182-I417 HydrophobicContact CD2-CG1 4.1Å
183	K	95	Very high	92.3	Very high	139 Å²	139	57.2 Å²	57.2	60%	0.604	31%	0.311	S	S	*	.	H	α-helix	trans	-61	-42.5	174.9	-74.2	175.5	-179.8	-177	0	111.4	L179 R180 G187 T416	L179-K183 WeakPolarHBondContact O-CG 3.14Å; L179-K183 PolarHBondContact O-N 3.25Å; R180-K183 PolarHBondContact O-N 2.92Å; K183-G187 PolarHBondContact O-N 3.36Å; K183-G187 VanDerWaalsContact O-N 3.09Å; K183-T416 HydrophobicContact CG-CG2 4.42Å
184	T	95.9	Very high	92.7	Very high	100 Å²	100	58.7 Å²	58.7	61%	0.613	32%	0.321	S	S	*	.	H	α-helix	trans	-62.1	-44.7	174.2	-58.9	0	0	0	0	111.5	R180 S181 L182 G187	R180-T184 PolarHBondContact O-N 2.92Å; R180-T184 PolarHBondContact O-OG1 3.37Å; S181-T184 PolarHBondContact O-N 2.93Å; L182-T184 VanDerWaalsContact C-N 3.31Å; L182-T184 PolarHBondContact O-N 2.89Å; T184-G187 PolarHBondContact O-N 3.2Å
185	F	96.7	Very high	93	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.009	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-48.4	176.9	172.8	-95.1	0	0	0	112.4	S181 L182 G187 Q188 Q193 S194 E197 L201 T379 L383	S181-F185 WeakPolarHBondContact O-CB 3.48Å; S181-F185 PolarHBondContact O-N 2.92Å; L182-F185 HydrophobicContact CD1-CD1 4.3Å; L182-F185 WeakPolarHBondContact O-CB 3.21Å; L182-F185 PolarHBondContact O-N 2.97Å; F185-G187 PolarHBondContact O-N 2.88Å; F185-Q188 WeakPolarHBondContact O-CB 3.35Å; F185-Q188 WeakPolarHBondContact O-CG 3.14Å; F185-Q188 PolarHBondContact O-N 3.32Å; F185-Q188 VanDerWaalsContact O-N 3.1Å; F185-Q193 HydrophobicContact CE1-CB 4.39Å; F185-Q193 HydrophobicContact CE1-CG 4.41Å; F185-Q193 HydrophobicContact CE2-CB 4.25Å; F185-Q193 HydrophobicContact CZ-CB 3.82Å; F185-Q193 HydrophobicContact CZ-CG 4.2Å; F185-S194 WeakPolarHBondContact CZ-O 3.39Å; F185-E197 HydrophobicContact CD2-CG 3.9Å; F185-E197 HydrophobicContact CE2-CB 4.01Å; F185-E197 HydrophobicContact CE2-CG 3.9Å; F185-L201 HydrophobicContact CB-CD1 3.9Å; F185-L201 HydrophobicContact CD1-CD1 4.28Å; F185-L201 HydrophobicContact CD2-CD1 4.46Å; F185-L201 HydrophobicContact CG-CD1 3.96Å; F185-T379 HydrophobicContact CE1-CG2 4.22Å; F185-T379 HydrophobicContact CZ-CG2 3.95Å; F185-L383 HydrophobicContact CD1-CD1 4.4Å; F185-L383 HydrophobicContact CE1-CD1 3.83Å
186	L	94.8	Very high	93.3	Very high	40 Å²	40	57.1 Å²	57.1	21%	0.209	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-24.3	179.2	-67.9	171.8	0	0	0	112.9	L182 Q188 Q193 T380 L383 I417	L182-L186 HydrophobicContact CD1-CD1 4.15Å; L182-L186 HydrophobicContact CD1-CG 4.09Å; L182-L186 HydrophobicContact CD2-CD1 4.5Å; L182-L186 HydrophobicContact CG-CD1 3.9Å; L182-L186 HydrophobicContact CG-CG 4.26Å; L182-L186 WeakPolarHBondContact O-CB 3.26Å; L182-L186 VanDerWaalsContact O-CG 3.26Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 3.1Å; L186-Q188 VanDerWaalsContact C-N 3.29Å; L186-Q193 PolarHBondContact O-NE2 3.37Å; L186-T380 HydrophobicContact CD2-CG2 4.32Å; L186-L383 HydrophobicContact CD2-CD1 4.37Å; L186-I417 HydrophobicContact CD1-CB 4.46Å; L186-I417 HydrophobicContact CD1-CG1 4.11Å; L186-I417 HydrophobicContact CD1-CG2 4.37Å; L186-I417 HydrophobicContact CD2-CG2 4.48Å
187	G	94.6	Very high	93.8	Very high	66 Å²	66	57.1 Å²	57.1	68%	0.68	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-9.3	174.7	0	0	0	0	0	114.6	K183 T184 F185	K183-G187 PolarHBondContact O-N 3.36Å; K183-G187 VanDerWaalsContact O-N 3.09Å; T184-G187 PolarHBondContact O-N 3.2Å; F185-G187 PolarHBondContact O-N 2.88Å
188	Q	95.6	Very high	94.3	Very high	58 Å²	58	56 Å²	56	27%	0.271	31%	0.31	S	S	.	.	S	Bend	trans	-74.9	153.8	176.4	-62.7	172.8	7.3	0	0	111.4	F185 L186 Q192 Q193	F185-Q188 WeakPolarHBondContact O-CB 3.35Å; F185-Q188 WeakPolarHBondContact O-CG 3.14Å; F185-Q188 PolarHBondContact O-N 3.32Å; F185-Q188 VanDerWaalsContact O-N 3.1Å; L186-Q188 VanDerWaalsContact C-N 3.29Å; Q188-Q192 HydrophobicContact CB-CB 4.38Å; Q188-Q193 HydrophobicContact CB-CG 4.28Å; Q188-Q193 PolarHBondContact O-NE2 3.23Å
189	P	94.8	Very high	94.5	Very high	67 Å²	67	55.1 Å²	55.1	44%	0.435	31%	0.306	S	S	.	.			trans	-54.3	146.3	169.9	-23	33.3	0	0	0	112.2	E191 Q192 Q193	P189-E191 WeakPolarHBondContact CB-OE2 3.49Å; P189-E191 PolarHBondContact O-N 3.47Å; P189-E191 VanDerWaalsContact O-N 3.09Å; P189-Q192 PolarHBondContact O-N 3.02Å; P189-Q193 PolarHBondContact O-N 2.73Å
190	A	90.6	Very high	94.8	Very high	65 Å²	65	53.6 Å²	53.6	54%	0.537	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.7	-174.3	0	0	0	0	0	113.2	Q192 Q193	A190-Q192 VanDerWaalsContact C-N 3.3Å; A190-Q192 PolarHBondContact O-N 3.03Å; A190-Q193 PolarHBondContact O-N 2.87Å
191	E	87.6	Confident	95.1	Very high	171 Å²	171	49 Å²	49	80%	0.799	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-24.4	179.2	-55.8	76.5	-166	0	0	113	P189	P189-E191 WeakPolarHBondContact CB-OE2 3.49Å; P189-E191 PolarHBondContact O-N 3.47Å; P189-E191 VanDerWaalsContact O-N 3.09Å
192	Q	90.1	Very high	95.2	Very high	127 Å²	127	46.3 Å²	46.3	59%	0.593	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-17.5	178.8	-63.3	-179.1	4.8	0	0	112.2	Q188 P189 A190 S194	Q188-Q192 HydrophobicContact CB-CB 4.38Å; P189-Q192 PolarHBondContact O-N 3.02Å; A190-Q192 VanDerWaalsContact C-N 3.3Å; A190-Q192 PolarHBondContact O-N 3.03Å; Q192-S194 PolarHBondContact O-N 3.2Å; Q192-S194 VanDerWaalsContact O-N 3.09Å
193	Q	94.4	Very high	95.2	Very high	18 Å²	18	46.3 Å²	46.3	8%	0.084	26%	0.262	C	S	.	.			trans	-73.6	102.9	-178.2	-67.9	-178.7	4.8	0	0	111.8	F185 L186 Q188 P189 A190 T379	F185-Q193 HydrophobicContact CE1-CB 4.39Å; F185-Q193 HydrophobicContact CE1-CG 4.41Å; F185-Q193 HydrophobicContact CE2-CB 4.25Å; F185-Q193 HydrophobicContact CZ-CB 3.82Å; F185-Q193 HydrophobicContact CZ-CG 4.2Å; L186-Q193 PolarHBondContact O-NE2 3.37Å; Q188-Q193 HydrophobicContact CB-CG 4.28Å; Q188-Q193 PolarHBondContact O-NE2 3.23Å; P189-Q193 PolarHBondContact O-N 2.73Å; A190-Q193 PolarHBondContact O-N 2.87Å; Q193-T379 HydrophobicContact CB-CG2 4.02Å; Q193-T379 PolarHBondContact O-OG1 3.22Å; Q193-T379 VanDerWaalsContact O-OG1 3.04Å
194	S	94.9	Very high	95.2	Very high	36 Å²	36	41.8 Å²	41.8	25%	0.252	24%	0.243	S	C	.	.			trans	-77.1	123.2	173.3	176.9	0	0	0	0	111.7	F185 Q192 L196 E197 G198	F185-S194 WeakPolarHBondContact CZ-O 3.39Å; Q192-S194 PolarHBondContact O-N 3.2Å; Q192-S194 VanDerWaalsContact O-N 3.09Å; S194-L196 PolarHBondContact O-N 3.05Å; S194-L196 PolarHBondContact OG-N 2.7Å; S194-E197 PolarHBondContact O-N 2.83Å; S194-E197 PolarHBondContact OG-N 3.46Å; S194-G198 PolarHBondContact O-N 2.97Å
195	A	96.2	Very high	95.2	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-29.9	173.5	0	0	0	0	0	113.4	A199 M308 T379	A195-A199 WeakPolarHBondContact O-CB 3.32Å; A195-A199 PolarHBondContact O-N 2.9Å; A195-M308 HydrophobicContact CB-CE 3.19Å; A195-T379 HydrophobicContact CB-CG2 4.34Å
196	L	97.4	Very high	95	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-45.5	174.1	-178.8	70.4	0	0	0	111	S194 A199 V200 I217 M221 I289 T309	S194-L196 PolarHBondContact O-N 3.05Å; S194-L196 PolarHBondContact OG-N 2.7Å; L196-A199 PolarHBondContact O-N 3.48Å; L196-V200 WeakPolarHBondContact O-CG2 3.32Å; L196-V200 PolarHBondContact O-N 2.93Å; L196-I217 HydrophobicContact CD1-CG2 3.9Å; L196-I217 HydrophobicContact CD2-CG2 4.29Å; L196-I217 HydrophobicContact CG-CG2 4.34Å; L196-M221 HydrophobicContact CD2-CG 4.12Å; L196-I289 HydrophobicContact CD1-CG2 4.12Å; L196-T309 HydrophobicContact CB-CG2 4.1Å; L196-T309 HydrophobicContact CD2-CG2 3.97Å; L196-T309 HydrophobicContact CG-CG2 4.49Å
197	E	97.5	Very high	94.7	Very high	57 Å²	57	38 Å²	38	27%	0.266	22%	0.22	S	C	.	.	H	α-helix	trans	-62.4	-48.6	178.8	177.2	175.6	-177	0	0	111.1	F185 S194 A199 V200 L201 L214	F185-E197 HydrophobicContact CD2-CG 3.9Å; F185-E197 HydrophobicContact CE2-CB 4.01Å; F185-E197 HydrophobicContact CE2-CG 3.9Å; S194-E197 PolarHBondContact O-N 2.83Å; S194-E197 PolarHBondContact OG-N 3.46Å; E197-A199 VanDerWaalsContact C-N 3.29Å; E197-A199 PolarHBondContact O-N 3.45Å; E197-V200 WeakPolarHBondContact O-CB 3.24Å; E197-V200 PolarHBondContact O-N 2.77Å; E197-V200 VanDerWaalsContact O-N 3.11Å; E197-L201 WeakPolarHBondContact O-CG 3.43Å; E197-L201 PolarHBondContact O-N 3.05Å; E197-L214 HydrophobicContact CB-CD1 4.25Å; E197-L214 HydrophobicContact CB-CD2 4.21Å; E197-L214 HydrophobicContact CG-CD2 3.94Å
198	G	97.3	Very high	94.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.2	-40.2	175.1	0	0	0	0	0	112.6	S194 V200 L201 V202	S194-G198 PolarHBondContact O-N 2.97Å; G198-V200 VanDerWaalsContact C-N 3.34Å; G198-V200 PolarHBondContact O-N 2.83Å; G198-L201 WeakPolarHBondContact O-CB 3.2Å; G198-L201 PolarHBondContact O-N 3.48Å; G198-V202 WeakPolarHBondContact O-CG2 3.27Å; G198-V202 PolarHBondContact O-N 3.36Å
199	A	97.6	Very high	94.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-35.3	176	0	0	0	0	0	112.7	A195 L196 E197 D203 I289 V305 M386	A195-A199 WeakPolarHBondContact O-CB 3.32Å; A195-A199 PolarHBondContact O-N 2.9Å; L196-A199 PolarHBondContact O-N 3.48Å; E197-A199 VanDerWaalsContact C-N 3.29Å; E197-A199 PolarHBondContact O-N 3.45Å; A199-D203 WeakPolarHBondContact O-CB 3.42Å; A199-D203 PolarHBondContact O-N 3.36Å; A199-I289 HydrophobicContact CB-CD1 4.12Å; A199-I289 HydrophobicContact CB-CG1 3.54Å; A199-V305 HydrophobicContact CB-CG1 4.09Å; A199-M386 HydrophobicContact CB-CE 3.69Å; A199-M386 HydrophobicContact CB-SD 3.71Å
200	V	98	Very high	94	Very high	2 Å²	2	33 Å²	33	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-66	-40.5	171.8	169.7	0	0	0	0	111.1	L196 E197 G198 D203 Q204 V212 L214 I217	L196-V200 WeakPolarHBondContact O-CG2 3.32Å; L196-V200 PolarHBondContact O-N 2.93Å; E197-V200 WeakPolarHBondContact O-CB 3.24Å; E197-V200 PolarHBondContact O-N 2.77Å; E197-V200 VanDerWaalsContact O-N 3.11Å; G198-V200 VanDerWaalsContact C-N 3.34Å; G198-V200 PolarHBondContact O-N 2.83Å; V200-D203 WeakPolarHBondContact O-CB 3.37Å; V200-D203 PolarHBondContact O-N 2.98Å; V200-Q204 HydrophobicContact CG1-CG 4.18Å; V200-Q204 WeakPolarHBondContact O-CB 3.21Å; V200-Q204 VanDerWaalsContact O-CG 3.27Å; V200-Q204 WeakPolarHBondContact O-CG 3.42Å; V200-Q204 PolarHBondContact O-N 3.03Å; V200-V212 HydrophobicContact CG1-CG1 4.31Å; V200-L214 HydrophobicContact CB-CD1 4.43Å; V200-L214 HydrophobicContact CG1-CB 4.44Å; V200-L214 HydrophobicContact CG2-CD1 4.1Å; V200-I217 HydrophobicContact CG2-CB 4.17Å; V200-I217 HydrophobicContact CG2-CG1 4.1Å; V200-I217 HydrophobicContact CG2-CG2 3.97Å
201	L	97.4	Very high	93.8	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.063	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-41.9	176	-69.2	169.4	0	0	0	112	I178 L182 F185 E197 G198 D203 Y205	I178-L201 HydrophobicContact CG2-CD2 4.19Å; I178-L201 WeakPolarHBondContact CG2-O 3.42Å; L182-L201 HydrophobicContact CB-CD1 4.45Å; L182-L201 HydrophobicContact CD1-CB 4.43Å; L182-L201 HydrophobicContact CD1-CD1 4.03Å; F185-L201 HydrophobicContact CB-CD1 3.9Å; F185-L201 HydrophobicContact CD1-CD1 4.28Å; F185-L201 HydrophobicContact CD2-CD1 4.46Å; F185-L201 HydrophobicContact CG-CD1 3.96Å; E197-L201 WeakPolarHBondContact O-CG 3.43Å; E197-L201 PolarHBondContact O-N 3.05Å; G198-L201 WeakPolarHBondContact O-CB 3.2Å; G198-L201 PolarHBondContact O-N 3.48Å; L201-D203 VanDerWaalsContact C-N 3.34Å; L201-Y205 WeakPolarHBondContact O-CB 3.49Å; L201-Y205 PolarHBondContact O-N 2.75Å
202	V	96.8	Very high	93.8	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-45	174.7	171.8	0	0	0	0	111	G198 Y205 C206 L383 V387 L390 L413	G198-V202 WeakPolarHBondContact O-CG2 3.27Å; G198-V202 PolarHBondContact O-N 3.36Å; V202-Y205 PolarHBondContact O-N 3.22Å; V202-C206 PolarHBondContact O-N 2.77Å; V202-C206 VanDerWaalsContact O-N 3.14Å; V202-C206 PolarHBondContact O-SG 2.98Å; V202-C206 VanDerWaalsContact O-SG 3.36Å; V202-L383 HydrophobicContact CG2-CD2 4.03Å; V202-V387 HydrophobicContact CG1-CG2 4.03Å; V202-V387 HydrophobicContact CG2-CG2 3.91Å; V202-L390 HydrophobicContact CG1-CD1 3.95Å; V202-L413 HydrophobicContact CB-CD2 4.28Å; V202-L413 HydrophobicContact CG1-CD2 4.06Å; V202-L413 HydrophobicContact CG2-CD2 4.15Å
203	D	96.1	Very high	93.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-53.2	177.9	-170.9	-14.6	0	0	0	111.6	A199 V200 L201 Y205 C206 N207 Y288 I289 H290	A199-D203 WeakPolarHBondContact O-CB 3.42Å; A199-D203 PolarHBondContact O-N 3.36Å; V200-D203 WeakPolarHBondContact O-CB 3.37Å; V200-D203 PolarHBondContact O-N 2.98Å; L201-D203 VanDerWaalsContact C-N 3.34Å; D203-Y205 VanDerWaalsContact C-N 3.31Å; D203-Y205 PolarHBondContact O-N 2.94Å; D203-C206 PolarHBondContact O-N 3.35Å; D203-N207 WeakPolarHBondContact O-CB 3.45Å; D203-N207 PolarHBondContact O-N 3.17Å; D203-Y288 WeakPolarHBondContact OD1-CB 3.14Å; D203-Y288 VanDerWaalsContact OD2-C 3.23Å; D203-Y288 WeakPolarHBondContact OD2-CA 3.41Å; D203-I289 PolarHBondContact OD2-N 3.3Å; D203-H290 IonicContact OD1-CE1 2.74Å; D203-H290 PolarHBondContact OD1-CE1 2.84Å; D203-H290 IonicContact OD1-ND1 2.61Å; D203-H290 PolarHBondContact OD1-ND1 3.49Å; D203-H290 IonicContact OD2-CE1 3.7Å; D203-H290 IonicContact OD2-CG 3.9Å; D203-H290 PolarHBondContact OD2-N 3.26Å; D203-H290 IonicContact OD2-ND1 2.67Å; D203-H290 PolarHBondContact OD2-ND1 3Å
204	Q	95.6	Very high	94	Very high	45 Å²	45	28.3 Å²	28.3	21%	0.21	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-41.6	176.8	-72.6	176	-35.3	0	0	111.8	I178 V200 N207 P208 V212	I178-Q204 HydrophobicContact CD1-CB 3.64Å; I178-Q204 WeakPolarHBondContact CD1-O 3.3Å; I178-Q204 HydrophobicContact CG1-CB 4.11Å; I178-Q204 HydrophobicContact CG2-CB 4.46Å; V200-Q204 HydrophobicContact CG1-CG 4.18Å; V200-Q204 WeakPolarHBondContact O-CB 3.21Å; V200-Q204 VanDerWaalsContact O-CG 3.27Å; V200-Q204 WeakPolarHBondContact O-CG 3.42Å; V200-Q204 PolarHBondContact O-N 3.03Å; Q204-N207 CarbonylContact O-C 3.52Å; Q204-N207 PolarHBondContact O-N 2.68Å; Q204-P208 WeakPolarHBondContact O-CA 3.4Å; Q204-P208 WeakPolarHBondContact O-CB 3.17Å; Q204-V212 HydrophobicContact CG-CB 4.17Å; Q204-V212 HydrophobicContact CG-CG1 4.34Å; Q204-V212 PolarHBondContact NE2-O 3.29Å
205	Y	94.8	Very high	94	Very high	6 Å²	6	34.4 Å²	34.4	2%	0.024	18%	0.182	C	C	.	.	H	α-helix	trans	-68.1	-40.5	-176.9	-173.6	-93.4	0	0	0	112.8	Q175 I178 L179 L201 V202 D203 N207 D409 D412 L413	Q175-Y205 HydrophobicContact CB-CD2 4.1Å; Q175-Y205 HydrophobicContact CB-CE2 3.63Å; Q175-Y205 HydrophobicContact CG-CD2 4.01Å; Q175-Y205 HydrophobicContact CG-CE2 3.78Å; Q175-Y205 PolarHBondContact NE2-O 2.85Å; Q175-Y205 VanDerWaalsContact NE2-O 3.14Å; I178-Y205 HydrophobicContact CB-CD2 4.29Å; I178-Y205 HydrophobicContact CG2-CD2 4.17Å; I178-Y205 HydrophobicContact CG2-CG 4.5Å; L179-Y205 HydrophobicContact CD1-CE2 3.69Å; L179-Y205 HydrophobicContact CD2-CD2 3.89Å; L179-Y205 HydrophobicContact CD2-CE2 3.48Å; L179-Y205 VanDerWaalsContact CD2-CE2 3.48Å; L179-Y205 HydrophobicContact CG-CD2 3.92Å; L179-Y205 HydrophobicContact CG-CE2 3.37Å; L201-Y205 WeakPolarHBondContact O-CB 3.49Å; L201-Y205 PolarHBondContact O-N 2.75Å; V202-Y205 PolarHBondContact O-N 3.22Å; D203-Y205 VanDerWaalsContact C-N 3.31Å; D203-Y205 PolarHBondContact O-N 2.94Å; Y205-N207 VanDerWaalsContact C-N 3.33Å; Y205-D409 HydrophobicContact CD1-CB 4.48Å; Y205-D409 HydrophobicContact CE1-CB 4.07Å; Y205-D409 VanDerWaalsContact CE1-O 3.25Å; Y205-D409 WeakPolarHBondContact CE1-O 3.31Å; Y205-D412 WeakPolarHBondContact OH-CB 3.24Å; Y205-L413 HydrophobicContact CD1-CB 3.78Å; Y205-L413 HydrophobicContact CD1-CD1 4.05Å; Y205-L413 HydrophobicContact CD1-CD2 3.89Å; Y205-L413 HydrophobicContact CD1-CG 4.14Å; Y205-L413 HydrophobicContact CE1-CB 3.86Å; Y205-L413 HydrophobicContact CG-CD1 4Å; Y205-L413 HydrophobicContact CG-CD2 4.27Å
206	C	92	Very high	94	Very high	9 Å²	9	37 Å²	37	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-83.2	-13.8	-179.9	-60.7	0	0	0	0	112.6	V202 D203 Y288 L390	V202-C206 PolarHBondContact O-N 2.77Å; V202-C206 VanDerWaalsContact O-N 3.14Å; V202-C206 PolarHBondContact O-SG 2.98Å; V202-C206 VanDerWaalsContact O-SG 3.36Å; D203-C206 PolarHBondContact O-N 3.35Å; C206-Y288 HydrophobicContact CB-CE1 3.7Å; C206-L390 HydrophobicContact CB-CD1 4.25Å
207	N	90.1	Very high	94	Very high	47 Å²	47	37 Å²	37	25%	0.251	20%	0.2	S	C	.	.	S	Bend	trans	-137.9	60.7	176.6	-167.8	13.4	0	0	0	111.7	D203 Q204 Y205 L209 A210 H290	D203-N207 WeakPolarHBondContact O-CB 3.45Å; D203-N207 PolarHBondContact O-N 3.17Å; Q204-N207 CarbonylContact O-C 3.52Å; Q204-N207 PolarHBondContact O-N 2.68Å; Y205-N207 VanDerWaalsContact C-N 3.33Å; N207-L209 PolarHBondContact O-N 2.92Å; N207-L209 VanDerWaalsContact O-N 3.1Å; N207-A210 HydrophobicContact CB-CB 4.46Å; N207-A210 VanDerWaalsContact ND2-CB 3.34Å; N207-A210 WeakPolarHBondContact ND2-CB 3.34Å; N207-A210 WeakPolarHBondContact O-CB 3.46Å; N207-A210 PolarHBondContact O-N 3.47Å; N207-H290 PolarHBondContact ND2-CE1 3.23Å
208	P	90.3	Very high	93.9	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.019	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-17	-167.2	29.1	-37.4	0	0	0	113.3	Y171 R174 Q175 I178 Q204	Y171-P208 HydrophobicContact CD1-CG 3.81Å; Y171-P208 HydrophobicContact CD2-CG 3.39Å; Y171-P208 HydrophobicContact CE1-CG 3.71Å; Y171-P208 HydrophobicContact CE2-CG 3.24Å; Y171-P208 HydrophobicContact CG-CG 3.64Å; R174-P208 HydrophobicContact CB-CB 3.93Å; R174-P208 WeakPolarHBondContact CD-O 3.25Å; R174-P208 PolarHBondContact NH1-O 3.3Å; Q175-P208 HydrophobicContact CG-CB 4.09Å; Q175-P208 HydrophobicContact CG-CG 3.99Å; I178-P208 HydrophobicContact CD1-CB 4.49Å; Q204-P208 WeakPolarHBondContact O-CA 3.4Å; Q204-P208 WeakPolarHBondContact O-CB 3.17Å
209	L	89.7	Confident	93.9	Very high	57 Å²	57	40.8 Å²	40.8	30%	0.298	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-11.1	177.3	-60.4	-179.9	0	0	0	113.2	K167 L170 Y171 N207	K167-L209 HydrophobicContact CD-CD1 4.04Å; K167-L209 HydrophobicContact CG-CD1 3.59Å; L170-L209 HydrophobicContact CB-CD2 4.36Å; L170-L209 HydrophobicContact CD2-CD2 3.98Å; L170-L209 HydrophobicContact CG-CD2 3.98Å; Y171-L209 HydrophobicContact CD2-CD1 3.96Å; Y171-L209 HydrophobicContact CD2-CD2 4.39Å; Y171-L209 HydrophobicContact CD2-CG 3.82Å; N207-L209 PolarHBondContact O-N 2.92Å; N207-L209 VanDerWaalsContact O-N 3.1Å
210	A	89.7	Confident	93.9	Very high	27 Å²	27	44.2 Å²	44.2	22%	0.223	24%	0.237	C	C	.	.	S	Bend	trans	-72.4	145.6	173.5	0	0	0	0	0	111	N207 V212	N207-A210 HydrophobicContact CB-CB 4.46Å; N207-A210 VanDerWaalsContact ND2-CB 3.34Å; N207-A210 WeakPolarHBondContact ND2-CB 3.34Å; N207-A210 WeakPolarHBondContact O-CB 3.46Å; N207-A210 PolarHBondContact O-N 3.47Å; A210-V212 VanDerWaalsContact C-N 3.34Å; A210-V212 HydrophobicContact CB-CG2 3.8Å; A210-V212 PolarHBondContact O-N 3.11Å
211	D	85.5	Confident	93.8	Very high	150 Å²	150	44.1 Å²	44.1	80%	0.802	24%	0.237	S	C	*	.			trans	-87.1	79.2	174.7	-167.1	15.7	0	0	0	108.9
212	V	89.2	Confident	93.7	Very high	12 Å²	12	46.3 Å²	46.3	7%	0.073	25%	0.249	C	C	.	.			trans	-115.2	124.8	-179.2	-177.7	0	0	0	0	108.1	V200 Q204 A210 I217 H290	V200-V212 HydrophobicContact CG1-CG1 4.31Å; Q204-V212 HydrophobicContact CG-CB 4.17Å; Q204-V212 HydrophobicContact CG-CG1 4.34Å; Q204-V212 PolarHBondContact NE2-O 3.29Å; A210-V212 VanDerWaalsContact C-N 3.34Å; A210-V212 HydrophobicContact CB-CG2 3.8Å; A210-V212 PolarHBondContact O-N 3.11Å; V212-I217 HydrophobicContact CG1-CD1 4.36Å; V212-I217 HydrophobicContact CG1-CG1 4.11Å; V212-H290 HydrophobicContact CG1-CB 4.07Å; V212-H290 HydrophobicContact CG2-CB 3.87Å
213	T	92.6	Very high	93.7	Very high	58 Å²	58	50.3 Å²	50.3	36%	0.356	27%	0.27	S	S	.	.			trans	-126.2	146.3	174.6	68.8	0	0	0	0	110.5	E215 S216 I217	T213-E215 PolarHBondContact O-N 3.35Å; T213-S216 PolarHBondContact O-N 3.29Å; T213-S216 VanDerWaalsContact OG1-CB 3.28Å; T213-S216 WeakPolarHBondContact OG1-CB 3.31Å; T213-S216 PolarHBondContact OG1-N 3.38Å; T213-S216 VanDerWaalsContact OG1-N 3.11Å; T213-I217 WeakPolarHBondContact O-CG1 3.16Å; T213-I217 PolarHBondContact O-N 2.86Å; T213-I217 VanDerWaalsContact O-N 3.09Å
214	L	95.7	Very high	93.8	Very high	62 Å²	62	50.8 Å²	50.8	33%	0.325	27%	0.273	S	S	.	.	H	α-helix	trans	-58.6	-35.9	175.2	-179.5	61.1	0	0	0	111.7	E197 V200 I217 S218	E197-L214 HydrophobicContact CB-CD1 4.25Å; E197-L214 HydrophobicContact CB-CD2 4.21Å; E197-L214 HydrophobicContact CG-CD2 3.94Å; V200-L214 HydrophobicContact CB-CD1 4.43Å; V200-L214 HydrophobicContact CG1-CB 4.44Å; V200-L214 HydrophobicContact CG2-CD1 4.1Å; L214-I217 PolarHBondContact O-N 3.47Å; L214-S218 WeakPolarHBondContact O-CB 3.38Å; L214-S218 PolarHBondContact O-N 2.83Å; L214-S218 PolarHBondContact O-OG 3.21Å
215	E	95.1	Very high	93.8	Very high	163 Å²	163	48.9 Å²	48.9	76%	0.762	26%	0.264	S	S	*	.	H	α-helix	trans	-61.6	-49.7	176.7	-174.7	-178.6	-174.4	0	0	111.7	T213 I217 S218 Q219	T213-E215 PolarHBondContact O-N 3.35Å; E215-I217 VanDerWaalsContact C-N 3.34Å; E215-I217 PolarHBondContact O-N 2.97Å; E215-S218 PolarHBondContact O-N 3.2Å; E215-Q219 WeakPolarHBondContact O-CB 3.32Å; E215-Q219 PolarHBondContact O-N 3.1Å
216	S	95.7	Very high	93.9	Very high	60 Å²	60	52.5 Å²	52.5	42%	0.42	28%	0.282	S	S	.	.	H	α-helix	trans	-62.8	-41.1	178.7	179.8	0	0	0	0	112.1	T213 Q220	T213-S216 PolarHBondContact O-N 3.29Å; T213-S216 VanDerWaalsContact OG1-CB 3.28Å; T213-S216 WeakPolarHBondContact OG1-CB 3.31Å; T213-S216 PolarHBondContact OG1-N 3.38Å; T213-S216 VanDerWaalsContact OG1-N 3.11Å; S216-Q220 WeakPolarHBondContact O-CG 3.24Å; S216-Q220 PolarHBondContact O-N 3.39Å; S216-Q220 VanDerWaalsContact O-N 3.15Å
217	I	97.4	Very high	94.1	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.015	30%	0.297	C	S	.	.	H	α-helix	trans	-67.2	-43.2	177.3	-63.1	-65.2	0	0	0	110.4	L196 V200 V212 T213 L214 E215 Q219 Q220 M221 I289 H290 L293	L196-I217 HydrophobicContact CD1-CG2 3.9Å; L196-I217 HydrophobicContact CD2-CG2 4.29Å; L196-I217 HydrophobicContact CG-CG2 4.34Å; V200-I217 HydrophobicContact CG2-CB 4.17Å; V200-I217 HydrophobicContact CG2-CG1 4.1Å; V200-I217 HydrophobicContact CG2-CG2 3.97Å; V212-I217 HydrophobicContact CG1-CD1 4.36Å; V212-I217 HydrophobicContact CG1-CG1 4.11Å; T213-I217 WeakPolarHBondContact O-CG1 3.16Å; T213-I217 PolarHBondContact O-N 2.86Å; T213-I217 VanDerWaalsContact O-N 3.09Å; L214-I217 PolarHBondContact O-N 3.47Å; E215-I217 VanDerWaalsContact C-N 3.34Å; E215-I217 PolarHBondContact O-N 2.97Å; I217-Q219 PolarHBondContact O-N 2.71Å; I217-Q220 PolarHBondContact O-N 3.03Å; I217-M221 VanDerWaalsContact O-CG 3.27Å; I217-M221 WeakPolarHBondContact O-CG 3.3Å; I217-M221 PolarHBondContact O-N 3.25Å; I217-I289 HydrophobicContact CG2-CG2 3.92Å; I217-H290 HydrophobicContact CD1-CB 3.74Å; I217-L293 HydrophobicContact CD1-CD1 3.85Å; I217-L293 HydrophobicContact CG2-CD1 3.89Å
218	S	96.3	Very high	94.4	Very high	31 Å²	31	54 Å²	54	22%	0.217	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-41.3	177.8	-62.2	0	0	0	0	111.8	L214 E215 Q220 M221 D222	L214-S218 WeakPolarHBondContact O-CB 3.38Å; L214-S218 PolarHBondContact O-N 2.83Å; L214-S218 PolarHBondContact O-OG 3.21Å; E215-S218 PolarHBondContact O-N 3.2Å; S218-Q220 PolarHBondContact O-N 2.88Å; S218-M221 WeakPolarHBondContact O-CA 3.27Å; S218-M221 WeakPolarHBondContact O-CB 3.36Å; S218-M221 PolarHBondContact O-N 3.4Å; S218-M221 VanDerWaalsContact O-N 3.11Å; S218-D222 PolarHBondContact O-N 2.85Å
219	Q	96	Very high	94.7	Very high	107 Å²	107	55.1 Å²	55.1	50%	0.5	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-42.8	175.7	-175.6	59.7	60.9	0	0	111.9	E215 I217 M221 D222 D223	E215-Q219 WeakPolarHBondContact O-CB 3.32Å; E215-Q219 PolarHBondContact O-N 3.1Å; I217-Q219 PolarHBondContact O-N 2.71Å; Q219-M221 VanDerWaalsContact C-N 3.26Å; Q219-M221 PolarHBondContact O-N 3.48Å; Q219-D222 PolarHBondContact O-N 2.75Å; Q219-D223 PolarHBondContact NE2-OD1 2.76Å; Q219-D223 VanDerWaalsContact NE2-OD1 3.14Å; Q219-D223 VanDerWaalsContact O-CG 3.31Å; Q219-D223 PolarHBondContact O-N 3.46Å
220	Q	97.3	Very high	95	Very high	71 Å²	71	58.6 Å²	58.6	33%	0.332	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-36.4	174.2	-72.4	178	64.3	0	0	111.9	S216 I217 S218 D223 V224 L293	S216-Q220 WeakPolarHBondContact O-CG 3.24Å; S216-Q220 PolarHBondContact O-N 3.39Å; S216-Q220 VanDerWaalsContact O-N 3.15Å; I217-Q220 PolarHBondContact O-N 3.03Å; S218-Q220 PolarHBondContact O-N 2.88Å; Q220-D223 PolarHBondContact O-N 3.04Å; Q220-V224 WeakPolarHBondContact O-CG2 3.46Å; Q220-V224 PolarHBondContact O-N 2.76Å; Q220-L293 HydrophobicContact CB-CD1 4.23Å
221	M	96.9	Very high	95.3	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-67.1	-38.6	174.7	-65.3	-64.4	-80.5	0	0	111.9	L196 I217 S218 Q219 V224 A225 L293 L306 T309 L310	L196-M221 HydrophobicContact CD2-CG 4.12Å; I217-M221 VanDerWaalsContact O-CG 3.27Å; I217-M221 WeakPolarHBondContact O-CG 3.3Å; I217-M221 PolarHBondContact O-N 3.25Å; S218-M221 WeakPolarHBondContact O-CA 3.27Å; S218-M221 WeakPolarHBondContact O-CB 3.36Å; S218-M221 PolarHBondContact O-N 3.4Å; S218-M221 VanDerWaalsContact O-N 3.11Å; Q219-M221 VanDerWaalsContact C-N 3.26Å; Q219-M221 PolarHBondContact O-N 3.48Å; M221-V224 PolarHBondContact O-N 3.06Å; M221-A225 WeakPolarHBondContact O-CB 3.16Å; M221-A225 PolarHBondContact O-N 3.15Å; M221-L293 HydrophobicContact SD-CD2 3.95Å; M221-L306 HydrophobicContact CE-CB 4.37Å; M221-L306 HydrophobicContact CE-CD2 3.9Å; M221-L306 WeakPolarHBondContact CE-O 3.35Å; M221-L306 HydrophobicContact SD-CD2 3.64Å; M221-T309 HydrophobicContact CE-CG2 3.72Å; M221-L310 HydrophobicContact CB-CD2 4.48Å; M221-L310 HydrophobicContact CE-CD1 4.28Å; M221-L310 HydrophobicContact CE-CD2 3.91Å; M221-L310 HydrophobicContact CE-CG 3.61Å; M221-L310 WeakPolarHBondContact O-CD2 3.44Å; M221-L310 HydrophobicContact SD-CD2 4.37Å; M221-L310 HydrophobicContact SD-CG 4.47Å
222	D	95.7	Very high	95.7	Very high	58 Å²	58	51.8 Å²	51.8	31%	0.31	26%	0.261	S	S	.	.	H	α-helix	trans	-65	-40.3	175.7	-68.6	-30	0	0	0	111.5	S218 Q219 V224 A225 E226 K313	S218-D222 PolarHBondContact O-N 2.85Å; Q219-D222 PolarHBondContact O-N 2.75Å; D222-V224 VanDerWaalsContact C-N 3.29Å; D222-V224 PolarHBondContact O-N 3.19Å; D222-A225 PolarHBondContact O-N 3.02Å; D222-E226 WeakPolarHBondContact O-CG 3.35Å; D222-E226 PolarHBondContact O-N 3.18Å; D222-K313 WeakPolarHBondContact OD1-CE 3.4Å; D222-K313 IonicContact OD1-NZ 2.76Å; D222-K313 PolarHBondContact OD1-NZ 3.09Å; D222-K313 IonicContact OD2-NZ 3.23Å
223	D	96.8	Very high	96	Very high	85 Å²	85	57.4 Å²	57.4	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-38.5	175.2	-66.4	-14	0	0	0	112.1	Q219 Q220 K227	Q219-D223 PolarHBondContact NE2-OD1 2.76Å; Q219-D223 VanDerWaalsContact NE2-OD1 3.14Å; Q219-D223 VanDerWaalsContact O-CG 3.31Å; Q219-D223 PolarHBondContact O-N 3.46Å; Q220-D223 PolarHBondContact O-N 3.04Å; D223-K227 WeakPolarHBondContact O-CG 3.2Å; D223-K227 PolarHBondContact O-N 3.47Å
224	V	97.5	Very high	96	Very high	12 Å²	12	61.2 Å²	61.2	7%	0.073	30%	0.298	C	S	.	.	H	α-helix	trans	-70.7	-41.8	174.9	177.6	0	0	0	0	110.9	Q220 M221 D222 E226 K227 A228 V267 L268 L272 L310	Q220-V224 WeakPolarHBondContact O-CG2 3.46Å; Q220-V224 PolarHBondContact O-N 2.76Å; M221-V224 PolarHBondContact O-N 3.06Å; D222-V224 VanDerWaalsContact C-N 3.29Å; D222-V224 PolarHBondContact O-N 3.19Å; V224-E226 VanDerWaalsContact C-N 3.32Å; V224-E226 PolarHBondContact O-N 2.98Å; V224-K227 WeakPolarHBondContact O-CB 3.46Å; V224-K227 PolarHBondContact O-N 2.83Å; V224-K227 VanDerWaalsContact O-N 3.16Å; V224-A228 PolarHBondContact O-N 3.37Å; V224-V267 HydrophobicContact CG1-CG1 4.22Å; V224-L268 HydrophobicContact CG1-CD2 3.94Å; V224-L272 HydrophobicContact CG1-CD1 4Å; V224-L272 HydrophobicContact CG2-CD1 3.9Å; V224-L310 HydrophobicContact CB-CD1 4.48Å; V224-L310 HydrophobicContact CB-CD2 3.95Å; V224-L310 HydrophobicContact CG1-CD1 3.67Å; V224-L310 HydrophobicContact CG1-CD2 3.87Å; V224-L310 HydrophobicContact CG1-CG 4.44Å
225	A	96.3	Very high	95.8	Very high	4 Å²	4	62.9 Å²	62.9	3%	0.033	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-39.3	176.5	0	0	0	0	0	111.7	M221 D222 K227 A228 K229 L310	M221-A225 WeakPolarHBondContact O-CB 3.16Å; M221-A225 PolarHBondContact O-N 3.15Å; D222-A225 PolarHBondContact O-N 3.02Å; A225-K227 VanDerWaalsContact C-N 3.34Å; A225-K227 PolarHBondContact O-N 3.4Å; A225-A228 CarbonylContact O-C 3.6Å; A225-A228 WeakPolarHBondContact O-CB 3.42Å; A225-A228 PolarHBondContact O-N 3.28Å; A225-A228 VanDerWaalsContact O-N 3.15Å; A225-K229 WeakPolarHBondContact O-CG 3.19Å; A225-K229 PolarHBondContact O-N 3.1Å; A225-L310 HydrophobicContact CB-CD2 4.21Å
226	E	95.9	Very high	95.8	Very high	83 Å²	83	56.4 Å²	56.4	39%	0.388	27%	0.273	S	S	.	.	H	α-helix	trans	-65.1	-35.2	175	-75.4	-55.4	129.2	0	0	112.6	D222 V224 K229 K230	D222-E226 WeakPolarHBondContact O-CG 3.35Å; D222-E226 PolarHBondContact O-N 3.18Å; V224-E226 VanDerWaalsContact C-N 3.32Å; V224-E226 PolarHBondContact O-N 2.98Å; E226-K229 PolarHBondContact O-N 3.09Å; E226-K229 WeakPolarHBondContact OE1-CD 3.35Å; E226-K229 WeakPolarHBondContact OE1-CE 3.5Å; E226-K229 IonicContact OE1-NZ 2.85Å; E226-K229 PolarHBondContact OE1-NZ 3.01Å; E226-K230 WeakPolarHBondContact O-CG 3.32Å; E226-K230 PolarHBondContact O-N 2.94Å
227	K	97.1	Very high	95.6	Very high	86 Å²	86	58.2 Å²	58.2	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-64.4	-41.7	170.5	-69	178.8	-174	-168.4	0	111.5	D223 V224 A225 K230 M231 V267 L272	D223-K227 WeakPolarHBondContact O-CG 3.2Å; D223-K227 PolarHBondContact O-N 3.47Å; V224-K227 WeakPolarHBondContact O-CB 3.46Å; V224-K227 PolarHBondContact O-N 2.83Å; V224-K227 VanDerWaalsContact O-N 3.16Å; A225-K227 VanDerWaalsContact C-N 3.34Å; A225-K227 PolarHBondContact O-N 3.4Å; K227-K230 WeakPolarHBondContact O-CB 3.48Å; K227-K230 PolarHBondContact O-N 3.3Å; K227-M231 PolarHBondContact O-N 3.32Å; K227-V267 HydrophobicContact CB-CG1 3.79Å; K227-V267 HydrophobicContact CB-CG2 4.24Å; K227-L272 HydrophobicContact CD-CD2 4.29Å
228	A	96.6	Very high	95.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.6	-40.7	176	0	0	0	0	0	111.9	V224 A225 K230 M231 L232 L264 V267 L314	V224-A228 PolarHBondContact O-N 3.37Å; A225-A228 CarbonylContact O-C 3.6Å; A225-A228 WeakPolarHBondContact O-CB 3.42Å; A225-A228 PolarHBondContact O-N 3.28Å; A225-A228 VanDerWaalsContact O-N 3.15Å; A228-K230 VanDerWaalsContact C-N 3.34Å; A228-K230 PolarHBondContact O-N 3.32Å; A228-M231 PolarHBondContact O-N 3Å; A228-L232 WeakPolarHBondContact O-CB 3.48Å; A228-L232 PolarHBondContact O-N 3.39Å; A228-L264 HydrophobicContact CB-CD2 3.85Å; A228-V267 HydrophobicContact CB-CG2 4.37Å; A228-L314 HydrophobicContact CB-CD1 3.67Å
229	K	95.6	Very high	95.2	Very high	28 Å²	28	61.2 Å²	61.2	12%	0.122	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-40.5	171.9	-71.6	-179.8	-169.1	167.8	0	112.1	A225 E226 L232 R233 L242 V244 L314	A225-K229 WeakPolarHBondContact O-CG 3.19Å; A225-K229 PolarHBondContact O-N 3.1Å; E226-K229 PolarHBondContact O-N 3.09Å; E226-K229 WeakPolarHBondContact OE1-CD 3.35Å; E226-K229 WeakPolarHBondContact OE1-CE 3.5Å; E226-K229 IonicContact OE1-NZ 2.85Å; E226-K229 PolarHBondContact OE1-NZ 3.01Å; K229-L232 PolarHBondContact O-N 3.31Å; K229-R233 WeakPolarHBondContact O-CB 3.48Å; K229-R233 PolarHBondContact O-N 3.17Å; K229-L242 HydrophobicContact CB-CD2 3.89Å; K229-L242 HydrophobicContact CG-CD2 4.33Å; K229-L242 WeakPolarHBondContact O-CD2 3.35Å; K229-V244 PolarHBondContact NZ-O 3.11Å; K229-L314 HydrophobicContact CD-CD2 4.35Å; K229-L314 HydrophobicContact CG-CD2 3.6Å
230	K	95.8	Very high	94.9	Very high	130 Å²	130	59 Å²	59	57%	0.565	30%	0.299	S	S	*	.	H	α-helix	trans	-61.5	-44.6	174.5	-72.9	172.6	-175.5	176.7	0	111.7	E226 K227 A228 R233 I234	E226-K230 WeakPolarHBondContact O-CG 3.32Å; E226-K230 PolarHBondContact O-N 2.94Å; K227-K230 WeakPolarHBondContact O-CB 3.48Å; K227-K230 PolarHBondContact O-N 3.3Å; A228-K230 VanDerWaalsContact C-N 3.34Å; A228-K230 PolarHBondContact O-N 3.32Å; K230-R233 PolarHBondContact O-N 3.39Å; K230-I234 PolarHBondContact O-N 3.02Å
231	M	96.1	Very high	94.5	Very high	32 Å²	32	55.6 Å²	55.6	16%	0.158	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-43.2	175.9	-176.9	53.6	69	0	0	111.8	K227 A228 R233 I234 K235 W262 A263 A266 V267	K227-M231 PolarHBondContact O-N 3.32Å; A228-M231 PolarHBondContact O-N 3Å; M231-R233 VanDerWaalsContact C-N 3.33Å; M231-R233 PolarHBondContact O-N 3.05Å; M231-I234 WeakPolarHBondContact O-CB 3.49Å; M231-I234 PolarHBondContact O-N 3.45Å; M231-I234 HydrophobicContact SD-CD1 4.42Å; M231-K235 PolarHBondContact O-N 3.49Å; M231-W262 HydrophobicContact CG-CE3 4.5Å; M231-W262 HydrophobicContact CG-CH2 3.96Å; M231-W262 HydrophobicContact CG-CZ3 3.67Å; M231-W262 HydrophobicContact SD-CH2 3.6Å; M231-W262 HydrophobicContact SD-CZ3 3.93Å; M231-A263 HydrophobicContact CB-CB 4.22Å; M231-A263 HydrophobicContact CG-CB 4.08Å; M231-A266 HydrophobicContact CE-CB 4.44Å; M231-A266 HydrophobicContact CG-CB 4.13Å; M231-V267 HydrophobicContact CB-CG2 4.01Å
232	L	94.8	Very high	94	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-38.8	177.6	-172.7	60.6	0	0	0	112	A228 K229 I234 K235 N236 H239 L242 Q259 V260 A263	A228-L232 WeakPolarHBondContact O-CB 3.48Å; A228-L232 PolarHBondContact O-N 3.39Å; K229-L232 PolarHBondContact O-N 3.31Å; L232-I234 VanDerWaalsContact C-N 3.26Å; L232-I234 PolarHBondContact O-N 3.32Å; L232-K235 PolarHBondContact O-N 2.95Å; L232-K235 VanDerWaalsContact O-N 3.07Å; L232-N236 CarbonylContact O-C 3.41Å; L232-N236 PolarHBondContact O-N 2.97Å; L232-H239 HydrophobicContact CD2-CB 4.05Å; L232-H239 HydrophobicContact CG-CB 4.05Å; L232-L242 HydrophobicContact CB-CD2 4.35Å; L232-L242 HydrophobicContact CD2-CD2 4.4Å; L232-Q259 HydrophobicContact CD1-CB 3.84Å; L232-V260 HydrophobicContact CD2-CG2 4.04Å; L232-A263 HydrophobicContact CB-CB 4.07Å; L232-A263 HydrophobicContact CD1-CB 4.4Å
233	R	95.3	Very high	93.5	Very high	131 Å²	131	64.5 Å²	64.5	49%	0.494	31%	0.314	S	S	.	.	H	α-helix	trans	-61.3	-33.2	176.7	-172.8	-178.7	-67.7	147.5	1.2	112.6	K229 K230 M231 K235 P237 L242	K229-R233 WeakPolarHBondContact O-CB 3.48Å; K229-R233 PolarHBondContact O-N 3.17Å; K230-R233 PolarHBondContact O-N 3.39Å; M231-R233 VanDerWaalsContact C-N 3.33Å; M231-R233 PolarHBondContact O-N 3.05Å; R233-K235 VanDerWaalsContact C-N 3.31Å; R233-P237 WeakPolarHBondContact O-CD 3.42Å; R233-P237 WeakPolarHBondContact O-CG 3.37Å; R233-L242 HydrophobicContact CB-CD1 4.18Å; R233-L242 HydrophobicContact CB-CD2 4.17Å; R233-L242 HydrophobicContact CG-CD1 4.33Å
234	I	93.3	Very high	92.5	Very high	137 Å²	137	61.1 Å²	61.1	70%	0.703	30%	0.297	S	S	*	.	H	α-helix	trans	-65.2	-39.6	175.3	-64.2	167.2	0	0	0	110.3	K230 M231 L232	K230-I234 PolarHBondContact O-N 3.02Å; M231-I234 WeakPolarHBondContact O-CB 3.49Å; M231-I234 PolarHBondContact O-N 3.45Å; M231-I234 HydrophobicContact SD-CD1 4.42Å; L232-I234 VanDerWaalsContact C-N 3.26Å; L232-I234 PolarHBondContact O-N 3.32Å
235	K	91.4	Very high	90.9	Very high	98 Å²	98	66.7 Å²	66.7	43%	0.426	33%	0.331	S	S	.	.	H	α-helix	trans	-82	-40.2	-177.8	-170.9	166.6	-177.1	175	0	113.3	M231 L232 R233 W262	M231-K235 PolarHBondContact O-N 3.49Å; L232-K235 PolarHBondContact O-N 2.95Å; L232-K235 VanDerWaalsContact O-N 3.07Å; R233-K235 VanDerWaalsContact C-N 3.31Å; K235-W262 HydrophobicContact CB-CE3 4.48Å; K235-W262 HydrophobicContact CB-CH2 4.37Å; K235-W262 HydrophobicContact CB-CZ3 3.84Å; K235-W262 HydrophobicContact CD-CD2 3.82Å; K235-W262 HydrophobicContact CD-CE3 3.33Å; K235-W262 HydrophobicContact CD-CH2 3.96Å; K235-W262 HydrophobicContact CD-CZ2 4.38Å; K235-W262 HydrophobicContact CD-CZ3 3.42Å; K235-W262 VanDerWaalsContact CD-CZ3 3.42Å; K235-W262 HydrophobicContact CG-CZ3 4.26Å; K235-W262 VanDerWaalsContact NZ-CD2 3.32Å; K235-W262 VanDerWaalsContact NZ-CG 3.34Å
236	N	94	Very high	89.2	Confident	27 Å²	27	71.5 Å²	71.5	14%	0.144	36%	0.357	C	S	.	.			trans	-148.8	94.3	-178.7	-176.4	-9.5	0	0	0	110.1	L232 S238 H239 Q259	L232-N236 CarbonylContact O-C 3.41Å; L232-N236 PolarHBondContact O-N 2.97Å; N236-S238 PolarHBondContact O-N 3.2Å; N236-S238 PolarHBondContact OD1-N 3.39Å; N236-S238 PolarHBondContact OD1-OG 3.09Å; N236-H239 HydrophobicContact CB-CB 4.14Å; N236-H239 WeakPolarHBondContact O-CB 3.33Å; N236-H239 PolarHBondContact O-N 3.15Å; N236-H239 PolarHBondContact OD1-N 2.98Å; N236-Q259 VanDerWaalsContact CB-OE1 3.28Å; N236-Q259 PolarHBondContact ND2-OE1 2.8Å
237	P	92.6	Very high	87.6	Confident	98 Å²	98	70.1 Å²	70.1	64%	0.636	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.8	-178.7	-22.8	32	0	0	0	114.6	R233 L242	R233-P237 WeakPolarHBondContact O-CD 3.42Å; R233-P237 WeakPolarHBondContact O-CG 3.37Å; P237-L242 VanDerWaalsContact O-CD1 3.22Å; P237-L242 WeakPolarHBondContact O-CD1 3.35Å
238	S	91.2	Very high	86	Confident	94 Å²	94	72.7 Å²	72.7	66%	0.657	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	8.8	-178.9	44.4	0	0	0	0	113.9	N236	N236-S238 PolarHBondContact O-N 3.2Å; N236-S238 PolarHBondContact OD1-N 3.39Å; N236-S238 PolarHBondContact OD1-OG 3.09Å
239	H	92.9	Very high	84.9	Confident	2 Å²	2	77.3 Å²	77.3	1%	0.009	40%	0.402	C	S	.	.			trans	-62.4	132.9	-173.5	-163.3	-72.1	0	0	0	112.7	L232 N236 S241 L242 L256 Q259 V260	L232-H239 HydrophobicContact CD2-CB 4.05Å; L232-H239 HydrophobicContact CG-CB 4.05Å; N236-H239 HydrophobicContact CB-CB 4.14Å; N236-H239 WeakPolarHBondContact O-CB 3.33Å; N236-H239 PolarHBondContact O-N 3.15Å; N236-H239 PolarHBondContact OD1-N 2.98Å; H239-S241 VanDerWaalsContact C-N 3.32Å; H239-S241 PolarHBondContact CE1-OG 3.41Å; H239-S241 VanDerWaalsContact ND1-CB 3.33Å; H239-S241 WeakPolarHBondContact ND1-CB 3.43Å; H239-S241 PolarHBondContact ND1-N 3.3Å; H239-S241 VanDerWaalsContact ND1-N 3.11Å; H239-S241 PolarHBondContact ND1-OG 2.95Å; H239-S241 VanDerWaalsContact ND1-OG 3.13Å; H239-S241 PolarHBondContact O-N 3.18Å; H239-L242 HydrophobicContact CB-CD1 4.2Å; H239-L242 HydrophobicContact CB-CG 4.16Å; H239-L242 WeakPolarHBondContact O-CB 3.39Å; H239-L242 WeakPolarHBondContact O-CG 3.47Å; H239-L242 PolarHBondContact O-N 3.11Å; H239-L256 WeakPolarHBondContact NE2-CA 3.2Å; H239-L256 WeakPolarHBondContact NE2-CB 3.39Å; H239-L256 PolarHBondContact NE2-O 3.36Å; H239-Q259 PolarHBondContact CD2-OE1 3.39Å; H239-V260 VanDerWaalsContact CE1-CG2 3.49Å; H239-V260 WeakPolarHBondContact CE1-CG2 3.48Å
240	P	89.5	Confident	84.3	Confident	60 Å²	60	78.1 Å²	78.1	39%	0.39	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-54.5	-41.9	-179.6	-28	35.1	0	0	0	114	L242 R243 L256	P240-L242 PolarHBondContact O-N 3.04Å; P240-R243 PolarHBondContact O-N 3.23Å; P240-L256 HydrophobicContact CG-CD1 3.94Å
241	S	88.8	Confident	83.6	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-56.2	-16.1	176.5	-49	0	0	0	0	115.8	H239 R243 V260 L314	H239-S241 VanDerWaalsContact C-N 3.32Å; H239-S241 PolarHBondContact CE1-OG 3.41Å; H239-S241 VanDerWaalsContact ND1-CB 3.33Å; H239-S241 WeakPolarHBondContact ND1-CB 3.43Å; H239-S241 PolarHBondContact ND1-N 3.3Å; H239-S241 VanDerWaalsContact ND1-N 3.11Å; H239-S241 PolarHBondContact ND1-OG 2.95Å; H239-S241 VanDerWaalsContact ND1-OG 3.13Å; H239-S241 PolarHBondContact O-N 3.18Å; S241-R243 VanDerWaalsContact C-N 3.27Å; S241-V260 WeakPolarHBondContact OG-CG2 3.49Å; S241-L314 WeakPolarHBondContact CB-O 3.17Å; S241-L314 PolarHBondContact OG-O 3.33Å
242	L	88	Confident	82.9	Confident	30 Å²	30	80 Å²	80	16%	0.157	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-73.4	-21.5	173.7	-61.4	174.8	0	0	0	112.7	K229 L232 R233 P237 H239 P240	K229-L242 HydrophobicContact CB-CD2 3.89Å; K229-L242 HydrophobicContact CG-CD2 4.33Å; K229-L242 WeakPolarHBondContact O-CD2 3.35Å; L232-L242 HydrophobicContact CB-CD2 4.35Å; L232-L242 HydrophobicContact CD2-CD2 4.4Å; R233-L242 HydrophobicContact CB-CD1 4.18Å; R233-L242 HydrophobicContact CB-CD2 4.17Å; R233-L242 HydrophobicContact CG-CD1 4.33Å; P237-L242 VanDerWaalsContact O-CD1 3.22Å; P237-L242 WeakPolarHBondContact O-CD1 3.35Å; H239-L242 HydrophobicContact CB-CD1 4.2Å; H239-L242 HydrophobicContact CB-CG 4.16Å; H239-L242 WeakPolarHBondContact O-CB 3.39Å; H239-L242 WeakPolarHBondContact O-CG 3.47Å; H239-L242 PolarHBondContact O-N 3.11Å; P240-L242 PolarHBondContact O-N 3.04Å
243	R	83.3	Confident	82.6	Confident	216 Å²	216	83.9 Å²	83.9	82%	0.815	44%	0.438	S	S	*	.	S	Bend	trans	-103.2	-3.6	-179.6	-60.2	-179.4	-178.2	172.2	0.8	113	P240 S241 T245	P240-R243 PolarHBondContact O-N 3.23Å; S241-R243 VanDerWaalsContact C-N 3.27Å; R243-T245 PolarHBondContact O-N 3.12Å; R243-T245 VanDerWaalsContact O-N 3.09Å
244	V	76.1	Confident	82.3	Confident	15 Å²	15	80.4 Å²	80.4	9%	0.091	43%	0.427	C	S	.	.			trans	-67.6	110	178.8	174.9	0	0	0	0	108.5	K229 N246	K229-V244 PolarHBondContact NZ-O 3.11Å; V244-N246 VanDerWaalsContact CG1-O 3.26Å; V244-N246 WeakPolarHBondContact CG1-O 3.21Å
245	T	65.3	Low	82.1	Confident	129 Å²	129	77.8 Å²	77.8	79%	0.791	41%	0.412	S	S	*	.			trans	-99.5	-26.7	171.7	57.6	0	0	0	0	111.7	R243	R243-T245 PolarHBondContact O-N 3.12Å; R243-T245 VanDerWaalsContact O-N 3.09Å
246	N	60.5	Low	82.2	Confident	105 Å²	105	74.9 Å²	74.9	56%	0.561	40%	0.401	S	S	*	.	S	Bend	trans	-119.5	135.1	178.7	-71.9	1.2	0	0	0	110.5	V244 D248	V244-N246 VanDerWaalsContact CG1-O 3.26Å; V244-N246 WeakPolarHBondContact CG1-O 3.21Å; N246-D248 PolarHBondContact O-N 2.99Å
247	S	62.3	Low	82.2	Confident	53 Å²	53	74.9 Å²	74.9	37%	0.371	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-3.8	-176.9	-40.9	0	0	0	0	115.6	M250	S247-M250 WeakPolarHBondContact O-CE 3.46Å
248	D	63.1	Low	82.2	Confident	140 Å²	140	74.4 Å²	74.4	75%	0.749	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-17.4	-171.8	-62	-30.5	0	0	0	113.7	N246 M250	N246-D248 PolarHBondContact O-N 2.99Å; D248-M250 PolarHBondContact O-N 3.15Å
249	V	73	Confident	82.4	Confident	98 Å²	98	71.2 Å²	71.2	59%	0.594	36%	0.36	S	S	*	.			trans	-85.2	102.9	179.4	-175	0	0	0	0	109.4
250	M	82.8	Confident	82.6	Confident	45 Å²	45	71.1 Å²	71.1	22%	0.222	36%	0.36	C	S	.	.			trans	-83.9	142	176.8	-63.6	-62.1	118.2	0	0	111.4	S247 D248 R312 Q317	S247-M250 WeakPolarHBondContact O-CE 3.46Å; D248-M250 PolarHBondContact O-N 3.15Å; M250-R312 HydrophobicContact CE-CG 4.28Å; M250-Q317 HydrophobicContact SD-CB 3.97Å
251	T	82.3	Confident	82.9	Confident	13 Å²	13	68.2 Å²	68.2	8%	0.08	34%	0.341	C	S	.	.			trans	-81.7	117.8	171.4	-59	0	0	0	0	108.3	L256 Q257 G315	T251-L256 HydrophobicContact CG2-CB 3.48Å; T251-L256 VanDerWaalsContact CG2-CB 3.48Å; T251-L256 HydrophobicContact CG2-CD1 4.13Å; T251-L256 HydrophobicContact CG2-CG 4.45Å; T251-Q257 HydrophobicContact CG2-CG 4.13Å; T251-Q257 VanDerWaalsContact O-CD 3.28Å; T251-Q257 WeakPolarHBondContact O-CG 3.32Å; T251-Q257 PolarHBondContact O-NE2 3.45Å; T251-G315 PolarHBondContact N-O 3.14Å
252	E	81.5	Confident	83.3	Confident	187 Å²	187	73.1 Å²	73.1	87%	0.874	36%	0.36	S	S	*	.			trans	-79.3	-30.2	-178.7	-63.8	-171.5	164.9	0	0	113.1	F254	E252-F254 PolarHBondContact O-N 2.74Å
253	D	88.1	Confident	83.7	Confident	83 Å²	83	71.7 Å²	71.7	44%	0.444	35%	0.353	S	S	.	.			trans	-73.2	123.3	-176.9	-177.6	-79.1	0	0	0	112.1	E255 L256 Q257	D253-E255 VanDerWaalsContact C-N 3.33Å; D253-E255 PolarHBondContact O-N 2.99Å; D253-E255 WeakPolarHBondContact OD1-CA 3.3Å; D253-E255 WeakPolarHBondContact OD1-CB 3.49Å; D253-E255 PolarHBondContact OD1-N 3.03Å; D253-L256 HydrophobicContact CB-CB 4.11Å; D253-L256 HydrophobicContact CB-CD1 3.88Å; D253-L256 HydrophobicContact CB-CG 3.93Å; D253-L256 PolarHBondContact O-N 2.95Å; D253-L256 WeakPolarHBondContact OD1-CG 3.29Å; D253-L256 PolarHBondContact OD1-N 3.4Å; D253-Q257 WeakPolarHBondContact O-CG 3.29Å; D253-Q257 PolarHBondContact O-N 3.07Å
254	F	87.8	Confident	84.4	Confident	58 Å²	58	61.4 Å²	61.4	25%	0.254	31%	0.314	S	S	.	.	H	α-helix	trans	-62.9	-35.4	-177	-179.9	-101.8	0	0	0	113.3	E252 R258 W331 Q333	E252-F254 PolarHBondContact O-N 2.74Å; F254-R258 WeakPolarHBondContact O-CB 3.12Å; F254-R258 PolarHBondContact O-N 3.18Å; F254-W331 AromaticContact CD2-CH2 3.83Å; F254-W331 HydrophobicContact CD2-CH2 3.83Å; F254-W331 AromaticContact CD2-CZ2 3.46Å; F254-W331 HydrophobicContact CD2-CZ2 3.46Å; F254-W331 VanDerWaalsContact CD2-CZ2 3.46Å; F254-W331 HydrophobicContact CE1-CH2 4.18Å; F254-W331 HydrophobicContact CE2-CD2 4.18Å; F254-W331 AromaticContact CE2-CE2 3.71Å; F254-W331 HydrophobicContact CE2-CE3 4.15Å; F254-W331 AromaticContact CE2-CH2 3.18Å; F254-W331 HydrophobicContact CE2-CH2 3.18Å; F254-W331 AromaticContact CE2-CZ2 3.2Å; F254-W331 HydrophobicContact CE2-CZ2 3.2Å; F254-W331 AromaticContact CE2-CZ3 3.69Å; F254-W331 HydrophobicContact CE2-CZ3 3.69Å; F254-W331 HydrophobicContact CG-CZ2 4.34Å; F254-W331 AromaticContact CZ-CH2 3.38Å; F254-W331 HydrophobicContact CZ-CH2 3.38Å; F254-W331 AromaticContact CZ-CZ2 3.92Å; F254-W331 HydrophobicContact CZ-CZ2 3.92Å; F254-W331 AromaticContact CZ-CZ3 3.74Å; F254-W331 HydrophobicContact CZ-CZ3 3.74Å; F254-Q333 HydrophobicContact CD2-CB 4.43Å; F254-Q333 HydrophobicContact CE2-CB 3.98Å; F254-Q333 HydrophobicContact CE2-CG 3.72Å; F254-Q333 HydrophobicContact CZ-CB 4.45Å; F254-Q333 HydrophobicContact CZ-CG 4.01Å
255	E	90.7	Very high	85.5	Confident	82 Å²	82	62.2 Å²	62.2	38%	0.383	32%	0.317	S	S	.	.	H	α-helix	trans	-67.9	-44.2	178.3	-173.1	61.7	-135.9	0	0	110.9	D253 R258 Q259	D253-E255 VanDerWaalsContact C-N 3.33Å; D253-E255 PolarHBondContact O-N 2.99Å; D253-E255 WeakPolarHBondContact OD1-CA 3.3Å; D253-E255 WeakPolarHBondContact OD1-CB 3.49Å; D253-E255 PolarHBondContact OD1-N 3.03Å; E255-R258 WeakPolarHBondContact O-CB 3.44Å; E255-R258 PolarHBondContact O-N 3.13Å; E255-R258 IonicContact OE1-CZ 2.92Å; E255-R258 IonicContact OE1-NE 3.81Å; E255-R258 IonicContact OE1-NH1 3.16Å; E255-R258 IonicContact OE1-NH2 3.7Å; E255-R258 PolarHBondContact OE1-NH2 2.58Å; E255-R258 IonicContact OE2-CZ 3.8Å; E255-R258 IonicContact OE2-NH1 2.93Å; E255-R258 PolarHBondContact OE2-NH1 3.03Å; E255-R258 IonicContact OE2-NH2 2.78Å; E255-R258 PolarHBondContact OE2-NH2 2.88Å; E255-Q259 WeakPolarHBondContact O-CG 3.43Å; E255-Q259 PolarHBondContact O-N 3.01Å
256	L	92.4	Very high	87.1	Confident	38 Å²	38	56.1 Å²	56.1	20%	0.199	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-46.2	176	-64.5	-176.1	0	0	0	110.8	H239 P240 T251 D253 R258 Q259 V260	H239-L256 WeakPolarHBondContact NE2-CA 3.2Å; H239-L256 WeakPolarHBondContact NE2-CB 3.39Å; H239-L256 PolarHBondContact NE2-O 3.36Å; P240-L256 HydrophobicContact CG-CD1 3.94Å; T251-L256 HydrophobicContact CG2-CB 3.48Å; T251-L256 VanDerWaalsContact CG2-CB 3.48Å; T251-L256 HydrophobicContact CG2-CD1 4.13Å; T251-L256 HydrophobicContact CG2-CG 4.45Å; D253-L256 HydrophobicContact CB-CB 4.11Å; D253-L256 HydrophobicContact CB-CD1 3.88Å; D253-L256 HydrophobicContact CB-CG 3.93Å; D253-L256 PolarHBondContact O-N 2.95Å; D253-L256 WeakPolarHBondContact OD1-CG 3.29Å; D253-L256 PolarHBondContact OD1-N 3.4Å; L256-R258 VanDerWaalsContact C-N 3.27Å; L256-R258 PolarHBondContact O-N 3.16Å; L256-Q259 WeakPolarHBondContact O-CB 3.34Å; L256-Q259 PolarHBondContact O-N 3.05Å; L256-Q259 VanDerWaalsContact O-N 3.08Å; L256-V260 PolarHBondContact O-N 2.63Å; L256-V260 VanDerWaalsContact O-N 3.12Å
257	Q	93.3	Very high	88.9	Confident	27 Å²	27	51.1 Å²	51.1	13%	0.126	25%	0.253	C	S	.	.	H	α-helix	trans	-56.4	-41.9	172.7	-68.1	-176.6	41.1	0	0	111.7	T251 D253 Q259 V260 L261 V316 W331	T251-Q257 HydrophobicContact CG2-CG 4.13Å; T251-Q257 VanDerWaalsContact O-CD 3.28Å; T251-Q257 WeakPolarHBondContact O-CG 3.32Å; T251-Q257 PolarHBondContact O-NE2 3.45Å; D253-Q257 WeakPolarHBondContact O-CG 3.29Å; D253-Q257 PolarHBondContact O-N 3.07Å; Q257-Q259 VanDerWaalsContact C-N 3.32Å; Q257-Q259 PolarHBondContact O-N 2.99Å; Q257-V260 WeakPolarHBondContact O-CB 3.42Å; Q257-V260 PolarHBondContact O-N 2.99Å; Q257-V260 VanDerWaalsContact O-N 3.16Å; Q257-L261 WeakPolarHBondContact O-CG 3.43Å; Q257-L261 PolarHBondContact O-N 3.42Å; Q257-V316 HydrophobicContact CB-CG1 4.29Å; Q257-V316 HydrophobicContact CB-CG2 3.95Å; Q257-V316 HydrophobicContact CG-CG1 4.42Å; Q257-V316 HydrophobicContact CG-CG2 4.02Å; Q257-W331 HydrophobicContact CB-CZ2 3.7Å
258	R	93.9	Very high	90.6	Very high	87 Å²	87	48.9 Å²	48.9	33%	0.328	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-37.7	176.5	-159.7	164.7	70.3	-117.8	10.4	112.9	F254 E255 L256 V260 L261 W262 W331	F254-R258 WeakPolarHBondContact O-CB 3.12Å; F254-R258 PolarHBondContact O-N 3.18Å; E255-R258 WeakPolarHBondContact O-CB 3.44Å; E255-R258 PolarHBondContact O-N 3.13Å; E255-R258 IonicContact OE1-CZ 2.92Å; E255-R258 IonicContact OE1-NE 3.81Å; E255-R258 IonicContact OE1-NH1 3.16Å; E255-R258 IonicContact OE1-NH2 3.7Å; E255-R258 PolarHBondContact OE1-NH2 2.58Å; E255-R258 IonicContact OE2-CZ 3.8Å; E255-R258 IonicContact OE2-NH1 2.93Å; E255-R258 PolarHBondContact OE2-NH1 3.03Å; E255-R258 IonicContact OE2-NH2 2.78Å; E255-R258 PolarHBondContact OE2-NH2 2.88Å; L256-R258 VanDerWaalsContact C-N 3.27Å; L256-R258 PolarHBondContact O-N 3.16Å; R258-V260 VanDerWaalsContact C-N 3.32Å; R258-L261 PolarHBondContact O-N 3.1Å; R258-W262 WeakPolarHBondContact O-CB 3.39Å; R258-W262 PolarHBondContact O-N 2.77Å; R258-W331 HydrophobicContact CB-CH2 3.75Å; R258-W331 HydrophobicContact CB-CZ2 4.49Å; R258-W331 HydrophobicContact CG-CH2 3.96Å; R258-W331 HydrophobicContact CG-CZ3 4.41Å
259	Q	95.4	Very high	92.2	Very high	27 Å²	27	43.2 Å²	43.2	13%	0.126	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-38.2	175.5	-69	172.5	24.3	0	0	111.7	L232 N236 H239 E255 L256 Q257 W262 A263	L232-Q259 HydrophobicContact CD1-CB 3.84Å; N236-Q259 VanDerWaalsContact CB-OE1 3.28Å; N236-Q259 PolarHBondContact ND2-OE1 2.8Å; H239-Q259 PolarHBondContact CD2-OE1 3.39Å; E255-Q259 WeakPolarHBondContact O-CG 3.43Å; E255-Q259 PolarHBondContact O-N 3.01Å; L256-Q259 WeakPolarHBondContact O-CB 3.34Å; L256-Q259 PolarHBondContact O-N 3.05Å; L256-Q259 VanDerWaalsContact O-N 3.08Å; Q257-Q259 VanDerWaalsContact C-N 3.32Å; Q257-Q259 PolarHBondContact O-N 2.99Å; Q259-W262 PolarHBondContact O-N 3.41Å; Q259-A263 PolarHBondContact O-N 3.35Å
260	V	95.7	Very high	93.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.3	-50.2	173.2	176.8	0	0	0	0	111.3	L232 H239 S241 L256 Q257 R258 W262 A263 L264 L314 V316	L232-V260 HydrophobicContact CD2-CG2 4.04Å; H239-V260 VanDerWaalsContact CE1-CG2 3.49Å; H239-V260 WeakPolarHBondContact CE1-CG2 3.48Å; S241-V260 WeakPolarHBondContact OG-CG2 3.49Å; L256-V260 PolarHBondContact O-N 2.63Å; L256-V260 VanDerWaalsContact O-N 3.12Å; Q257-V260 WeakPolarHBondContact O-CB 3.42Å; Q257-V260 PolarHBondContact O-N 2.99Å; Q257-V260 VanDerWaalsContact O-N 3.16Å; R258-V260 VanDerWaalsContact C-N 3.32Å; V260-W262 VanDerWaalsContact C-N 3.28Å; V260-W262 PolarHBondContact O-N 3.23Å; V260-A263 PolarHBondContact O-N 2.99Å; V260-A263 VanDerWaalsContact O-N 3.08Å; V260-L264 HydrophobicContact CG1-CD1 4.31Å; V260-L264 PolarHBondContact O-N 2.89Å; V260-L314 HydrophobicContact CG1-CB 3.41Å; V260-L314 VanDerWaalsContact CG1-CB 3.41Å; V260-L314 HydrophobicContact CG1-CD1 3.75Å; V260-L314 HydrophobicContact CG1-CG 4.24Å; V260-V316 HydrophobicContact CB-CG2 3.67Å; V260-V316 HydrophobicContact CG1-CG2 3.71Å; V260-V316 HydrophobicContact CG2-CG2 4.03Å
261	L	96.7	Very high	94.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-38.8	179.3	-62.8	-177.9	0	0	0	112	Q257 R258 L264 N265 Y307 A311 V316 L318 W331 I347	Q257-L261 WeakPolarHBondContact O-CG 3.43Å; Q257-L261 PolarHBondContact O-N 3.42Å; R258-L261 PolarHBondContact O-N 3.1Å; L261-L264 HydrophobicContact CD2-CD1 4.4Å; L261-L264 PolarHBondContact O-N 3.05Å; L261-N265 PolarHBondContact O-N 3.36Å; L261-Y307 HydrophobicContact CD2-CE1 3.92Å; L261-A311 HydrophobicContact CD2-CB 4.35Å; L261-V316 HydrophobicContact CD2-CG1 4.11Å; L261-V316 HydrophobicContact CG-CG1 4.45Å; L261-L318 HydrophobicContact CD2-CD1 4.12Å; L261-W331 HydrophobicContact CD1-CD2 3.65Å; L261-W331 HydrophobicContact CD1-CE3 3.49Å; L261-W331 VanDerWaalsContact CD1-CE3 3.49Å; L261-W331 HydrophobicContact CD1-CG 4.37Å; L261-W331 HydrophobicContact CD1-CH2 3.93Å; L261-W331 HydrophobicContact CD1-CZ2 4.06Å; L261-W331 HydrophobicContact CD1-CZ3 3.64Å; L261-I347 HydrophobicContact CD1-CD1 3.78Å; L261-I347 HydrophobicContact CD2-CD1 4.37Å
262	W	96.9	Very high	94.8	Very high	102 Å²	102	47.5 Å²	47.5	39%	0.386	22%	0.218	S	C	.	.	H	α-helix	trans	-60.2	-46.4	172.3	171.6	85	0	0	0	112.1	M231 K235 R258 Q259 V260 L264 N265 A266	M231-W262 HydrophobicContact CG-CE3 4.5Å; M231-W262 HydrophobicContact CG-CH2 3.96Å; M231-W262 HydrophobicContact CG-CZ3 3.67Å; M231-W262 HydrophobicContact SD-CH2 3.6Å; M231-W262 HydrophobicContact SD-CZ3 3.93Å; K235-W262 HydrophobicContact CB-CE3 4.48Å; K235-W262 HydrophobicContact CB-CH2 4.37Å; K235-W262 HydrophobicContact CB-CZ3 3.84Å; K235-W262 HydrophobicContact CD-CD2 3.82Å; K235-W262 HydrophobicContact CD-CE3 3.33Å; K235-W262 HydrophobicContact CD-CH2 3.96Å; K235-W262 HydrophobicContact CD-CZ2 4.38Å; K235-W262 HydrophobicContact CD-CZ3 3.42Å; K235-W262 VanDerWaalsContact CD-CZ3 3.42Å; K235-W262 HydrophobicContact CG-CZ3 4.26Å; K235-W262 VanDerWaalsContact NZ-CD2 3.32Å; K235-W262 VanDerWaalsContact NZ-CG 3.34Å; R258-W262 WeakPolarHBondContact O-CB 3.39Å; R258-W262 PolarHBondContact O-N 2.77Å; Q259-W262 PolarHBondContact O-N 3.41Å; V260-W262 VanDerWaalsContact C-N 3.28Å; V260-W262 PolarHBondContact O-N 3.23Å; W262-L264 VanDerWaalsContact C-N 3.29Å; W262-L264 PolarHBondContact O-N 3.33Å; W262-N265 PolarHBondContact O-N 3.43Å; W262-A266 PolarHBondContact O-N 2.94Å
263	A	97.7	Very high	95.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-37	179.3	0	0	0	0	0	111.6	M231 L232 Q259 V260 V267	M231-A263 HydrophobicContact CB-CB 4.22Å; M231-A263 HydrophobicContact CG-CB 4.08Å; L232-A263 HydrophobicContact CB-CB 4.07Å; L232-A263 HydrophobicContact CD1-CB 4.4Å; Q259-A263 PolarHBondContact O-N 3.35Å; V260-A263 PolarHBondContact O-N 2.99Å; V260-A263 VanDerWaalsContact O-N 3.08Å; A263-V267 WeakPolarHBondContact O-CG2 3.4Å; A263-V267 PolarHBondContact O-N 3Å
264	L	97.9	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-47.1	173.2	-73.9	176.4	0	0	0	112.1	A228 V260 L261 W262 A266 V267 L268 Y307 L310 A311 L314	A228-L264 HydrophobicContact CB-CD2 3.85Å; V260-L264 HydrophobicContact CG1-CD1 4.31Å; V260-L264 PolarHBondContact O-N 2.89Å; L261-L264 HydrophobicContact CD2-CD1 4.4Å; L261-L264 PolarHBondContact O-N 3.05Å; W262-L264 VanDerWaalsContact C-N 3.29Å; W262-L264 PolarHBondContact O-N 3.33Å; L264-A266 VanDerWaalsContact C-N 3.34Å; L264-A266 PolarHBondContact O-N 3.23Å; L264-V267 PolarHBondContact O-N 3.47Å; L264-L268 WeakPolarHBondContact O-CB 3.39Å; L264-L268 WeakPolarHBondContact O-CG 3.4Å; L264-L268 PolarHBondContact O-N 3.24Å; L264-Y307 HydrophobicContact CB-CE2 4.36Å; L264-L310 HydrophobicContact CD1-CB 4.41Å; L264-L310 HydrophobicContact CD2-CB 3.72Å; L264-L310 HydrophobicContact CD2-CD1 4.44Å; L264-A311 HydrophobicContact CD1-CB 3.91Å; L264-L314 HydrophobicContact CD1-CD1 4.37Å; L264-L314 HydrophobicContact CD2-CD1 3.64Å; L264-L314 HydrophobicContact CG-CD1 3.97Å
265	N	98.3	Very high	96.6	Very high	31 Å²	31	44.2 Å²	44.2	17%	0.166	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-45	178.1	-77.3	-2.9	0	0	0	111.8	L261 W262 V267 Y269 Y307 G353	L261-N265 PolarHBondContact O-N 3.36Å; W262-N265 PolarHBondContact O-N 3.43Å; N265-V267 PolarHBondContact O-N 2.91Å; N265-Y269 HydrophobicContact CB-CD2 4.1Å; N265-Y269 HydrophobicContact CB-CE2 4.44Å; N265-Y269 WeakPolarHBondContact O-CB 3.46Å; N265-Y269 WeakPolarHBondContact O-CD2 3.45Å; N265-Y269 PolarHBondContact O-N 3.14Å; N265-Y269 WeakPolarHBondContact OD1-CE2 3.08Å; N265-Y307 VanDerWaalsContact OD1-CE2 3.24Å; N265-Y307 WeakPolarHBondContact OD1-CE2 3.4Å; N265-Y307 PolarHBondContact OD1-OH 2.99Å; N265-G353 PolarHBondContact ND2-O 3.14Å; N265-G353 VanDerWaalsContact ND2-O 3.09Å
266	A	97.9	Very high	96.9	Very high	1 Å²	1	41 Å²	41	1%	0.008	19%	0.187	C	C	.	.	I	π-helix	trans	-60.6	-44.5	176.9	0	0	0	0	0	111.7	M231 W262 L264 E270 Q271	M231-A266 HydrophobicContact CE-CB 4.44Å; M231-A266 HydrophobicContact CG-CB 4.13Å; W262-A266 PolarHBondContact O-N 2.94Å; L264-A266 VanDerWaalsContact C-N 3.34Å; L264-A266 PolarHBondContact O-N 3.23Å; A266-E270 WeakPolarHBondContact O-CA 2.87Å; A266-E270 VanDerWaalsContact O-CB 3.23Å; A266-E270 WeakPolarHBondContact O-CB 3.49Å; A266-E270 PolarHBondContact O-N 3.46Å; A266-Q271 PolarHBondContact O-N 3.25Å
267	V	98.3	Very high	97	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-71.5	-49.7	180	170.9	0	0	0	0	112.1	V224 K227 A228 M231 A263 L264 N265 Q271 L272	V224-V267 HydrophobicContact CG1-CG1 4.22Å; K227-V267 HydrophobicContact CB-CG1 3.79Å; K227-V267 HydrophobicContact CB-CG2 4.24Å; A228-V267 HydrophobicContact CB-CG2 4.37Å; M231-V267 HydrophobicContact CB-CG2 4.01Å; A263-V267 WeakPolarHBondContact O-CG2 3.4Å; A263-V267 PolarHBondContact O-N 3Å; L264-V267 PolarHBondContact O-N 3.47Å; N265-V267 PolarHBondContact O-N 2.91Å; V267-Q271 WeakPolarHBondContact O-CB 3.01Å; V267-Q271 PolarHBondContact O-N 2.72Å; V267-L272 HydrophobicContact CG1-CD1 3.84Å; V267-L272 HydrophobicContact CG1-CG 4.19Å; V267-L272 VanDerWaalsContact O-CB 3.32Å; V267-L272 WeakPolarHBondContact O-CB 3.42Å; V267-L272 VanDerWaalsContact O-CG 3.3Å; V267-L272 WeakPolarHBondContact O-CG 3.37Å; V267-L272 PolarHBondContact O-N 2.65Å
268	L	98.4	Very high	96.9	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.037	21%	0.212	C	C	.	.	I	π-helix	trans	-67.8	-50	-175	-70.8	175	0	0	0	111.7	V224 L264 L272 Q273 Y274 Y307 L310	V224-L268 HydrophobicContact CG1-CD2 3.94Å; L264-L268 WeakPolarHBondContact O-CB 3.39Å; L264-L268 WeakPolarHBondContact O-CG 3.4Å; L264-L268 PolarHBondContact O-N 3.24Å; L268-L272 CarbonylContact O-C 3.46Å; L268-Q273 PolarHBondContact O-N 3.03Å; L268-Y274 HydrophobicContact CB-CD2 4.45Å; L268-Y274 HydrophobicContact CD2-CD2 3.83Å; L268-Y274 HydrophobicContact CD2-CE2 3.95Å; L268-Y274 HydrophobicContact CD2-CG 4.38Å; L268-Y274 PolarHBondContact O-N 3.05Å; L268-Y307 HydrophobicContact CD1-CD2 3.66Å; L268-Y307 HydrophobicContact CD1-CE2 4.14Å; L268-L310 HydrophobicContact CD1-CD1 4.03Å; L268-L310 HydrophobicContact CD2-CD1 3.78Å; L268-L310 HydrophobicContact CG-CD1 4.3Å
269	Y	98.3	Very high	96.8	Very high	21 Å²	21	48.6 Å²	48.6	8%	0.082	24%	0.24	C	C	.	.	I	π-helix	trans	-97.2	-33.1	-168.5	-52	-61.5	0	0	0	113.2	N265 Q273 Y274 Y307 A349 K352 G353	N265-Y269 HydrophobicContact CB-CD2 4.1Å; N265-Y269 HydrophobicContact CB-CE2 4.44Å; N265-Y269 WeakPolarHBondContact O-CB 3.46Å; N265-Y269 WeakPolarHBondContact O-CD2 3.45Å; N265-Y269 PolarHBondContact O-N 3.14Å; N265-Y269 WeakPolarHBondContact OD1-CE2 3.08Å; Y269-Q273 PolarHBondContact O-NE2 3.41Å; Y269-Q273 VanDerWaalsContact O-NE2 3.15Å; Y269-Y274 WeakPolarHBondContact CD1-O 3.4Å; Y269-Y307 HydrophobicContact CE2-CD2 4.47Å; Y269-Y307 HydrophobicContact CE2-CE2 4.13Å; Y269-Y307 WeakPolarHBondContact OH-CD2 3.19Å; Y269-A349 WeakPolarHBondContact OH-CA 3.3Å; Y269-A349 PolarHBondContact OH-O 2.91Å; Y269-K352 HydrophobicContact CD1-CB 4.12Å; Y269-K352 HydrophobicContact CD1-CG 4.24Å; Y269-K352 VanDerWaalsContact CD2-C 3.43Å; Y269-K352 HydrophobicContact CD2-CB 4.13Å; Y269-K352 VanDerWaalsContact CD2-O 3.27Å; Y269-K352 WeakPolarHBondContact CD2-O 3.46Å; Y269-K352 WeakPolarHBondContact CE2-O 3.38Å; Y269-K352 HydrophobicContact CG-CB 3.91Å; Y269-K352 HydrophobicContact CG-CG 4.36Å; Y269-G353 VanDerWaalsContact CE2-N 3.31Å
270	E	97.4	Very high	96.6	Very high	137 Å²	137	51.1 Å²	51.1	64%	0.64	25%	0.254	S	S	*	.	I	π-helix	trans	-92	-43.4	-178.9	-49.7	175.3	178.2	0	0	112.1	A266 Q273	A266-E270 WeakPolarHBondContact O-CA 2.87Å; A266-E270 VanDerWaalsContact O-CB 3.23Å; A266-E270 WeakPolarHBondContact O-CB 3.49Å; A266-E270 PolarHBondContact O-N 3.46Å; E270-Q273 PolarHBondContact O-NE2 2.92Å
271	Q	97.4	Very high	96.3	Very high	98 Å²	98	54.3 Å²	54.3	46%	0.458	27%	0.266	S	S	.	.	I	π-helix	trans	-87.6	-50.4	-178.8	-61.4	-176.6	2.4	0	0	113.1	A266 V267	A266-Q271 PolarHBondContact O-N 3.25Å; V267-Q271 WeakPolarHBondContact O-CB 3.01Å; V267-Q271 PolarHBondContact O-N 2.72Å
272	L	97.8	Very high	96	Very high	10 Å²	10	59.3 Å²	59.3	5%	0.052	29%	0.286	C	S	.	.	S	Bend	trans	-88.4	-17.2	-175	-62.2	-179.9	0	0	0	112.4	V224 K227 V267 L268 Y274 R296	V224-L272 HydrophobicContact CG1-CD1 4Å; V224-L272 HydrophobicContact CG2-CD1 3.9Å; K227-L272 HydrophobicContact CD-CD2 4.29Å; V267-L272 HydrophobicContact CG1-CD1 3.84Å; V267-L272 HydrophobicContact CG1-CG 4.19Å; V267-L272 VanDerWaalsContact O-CB 3.32Å; V267-L272 WeakPolarHBondContact O-CB 3.42Å; V267-L272 VanDerWaalsContact O-CG 3.3Å; V267-L272 WeakPolarHBondContact O-CG 3.37Å; V267-L272 PolarHBondContact O-N 2.65Å; L268-L272 CarbonylContact O-C 3.46Å; L272-Y274 VanDerWaalsContact C-N 3.34Å; L272-Y274 HydrophobicContact CB-CD2 3.71Å; L272-Y274 HydrophobicContact CB-CE2 3.79Å; L272-Y274 HydrophobicContact CD1-CD2 4.48Å; L272-Y274 HydrophobicContact CD1-CE2 3.93Å; L272-Y274 PolarHBondContact O-N 2.97Å; L272-R296 WeakPolarHBondContact O-CD 3.34Å; L272-R296 PolarHBondContact O-NH1 3.41Å
273	Q	97.8	Very high	95.8	Very high	122 Å²	122	56 Å²	56	57%	0.57	28%	0.276	S	S	*	.			trans	60.8	39.9	177	-60.5	-71.3	-41.3	0	0	113	L268 Y269 E270	L268-Q273 PolarHBondContact O-N 3.03Å; Y269-Q273 PolarHBondContact O-NE2 3.41Å; Y269-Q273 VanDerWaalsContact O-NE2 3.15Å; E270-Q273 PolarHBondContact O-NE2 2.92Å
274	Y	98.3	Very high	95.5	Very high	15 Å²	15	57.7 Å²	57.7	6%	0.059	29%	0.287	C	S	.	.			trans	-60	140.8	166.9	-82.5	-97.7	0	0	0	110.3	L268 Y269 L272 L293 R296 L303 L306	L268-Y274 HydrophobicContact CB-CD2 4.45Å; L268-Y274 HydrophobicContact CD2-CD2 3.83Å; L268-Y274 HydrophobicContact CD2-CE2 3.95Å; L268-Y274 HydrophobicContact CD2-CG 4.38Å; L268-Y274 PolarHBondContact O-N 3.05Å; Y269-Y274 WeakPolarHBondContact CD1-O 3.4Å; L272-Y274 VanDerWaalsContact C-N 3.34Å; L272-Y274 HydrophobicContact CB-CD2 3.71Å; L272-Y274 HydrophobicContact CB-CE2 3.79Å; L272-Y274 HydrophobicContact CD1-CD2 4.48Å; L272-Y274 HydrophobicContact CD1-CE2 3.93Å; L272-Y274 PolarHBondContact O-N 2.97Å; Y274-L293 VanDerWaalsContact OH-CD2 3.29Å; Y274-L293 WeakPolarHBondContact OH-CD2 3.48Å; Y274-R296 CarbonylContact C-O 3.54Å; Y274-R296 VanDerWaalsContact CA-O 3.27Å; Y274-R296 WeakPolarHBondContact CA-O 3.49Å; Y274-R296 HydrophobicContact CD1-CB 3.95Å; Y274-R296 HydrophobicContact CD2-CB 4.14Å; Y274-R296 HydrophobicContact CD2-CG 4.32Å; Y274-R296 HydrophobicContact CE1-CB 4.04Å; Y274-R296 HydrophobicContact CE1-CG 4.23Å; Y274-R296 HydrophobicContact CE2-CB 4.23Å; Y274-R296 HydrophobicContact CE2-CG 3.97Å; Y274-R296 HydrophobicContact CG-CB 4Å; Y274-L303 HydrophobicContact CD1-CD2 4.05Å; Y274-L306 HydrophobicContact CD1-CD1 4.46Å; Y274-L306 HydrophobicContact CE1-CD1 3.87Å
275	K	97.6	Very high	95.4	Very high	123 Å²	123	60.6 Å²	60.6	54%	0.535	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	156.2	179.4	63.5	-179	-177.8	179	0	113.5	R296 T297 G298	K275-R296 PolarHBondContact N-O 3.33Å; K275-T297 WeakPolarHBondContact O-CA 3.47Å; K275-G298 PolarHBondContact O-N 3.33Å; K275-G298 VanDerWaalsContact O-N 3.15Å
276	G	96.7	Very high	95.3	Very high	15 Å²	15	59.1 Å²	59.1	16%	0.155	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	144.4	165.2	0	0	0	0	0	112.5	E278 G298 F350	G276-E278 PolarHBondContact O-N 3.26Å; G276-G298 WeakPolarHBondContact CA-O 3.5Å; G276-F350 VanDerWaalsContact CA-CD2 3.47Å
277	N	95.6	Very high	95.2	Very high	19 Å²	19	59.2 Å²	59.2	10%	0.102	30%	0.295	C	S	.	.			trans	-92.9	85.7	172.4	-163	-9.1	0	0	0	111.4	D280 Y281 N286 T297 G298	N277-D280 PolarHBondContact ND2-O 3.38Å; N277-D280 VanDerWaalsContact ND2-O 3.09Å; N277-D280 PolarHBondContact OD1-N 3.32Å; N277-Y281 WeakPolarHBondContact O-CA 3.49Å; N277-Y281 PolarHBondContact O-N 3.22Å; N277-N286 WeakPolarHBondContact CB-ND2 3.44Å; N277-N286 PolarHBondContact ND2-ND2 3.06Å; N277-N286 PolarHBondContact ND2-OD1 2.77Å; N277-T297 HydrophobicContact CB-CG2 3.55Å; N277-G298 PolarHBondContact N-O 3.03Å
278	E	91.8	Very high	95.1	Very high	157 Å²	157	60.1 Å²	60.1	73%	0.734	30%	0.298	S	S	*	.	S	Bend	trans	-77	-34.7	178.7	-65.5	175.4	-179.8	0	0	112.3	G276 F350	G276-E278 PolarHBondContact O-N 3.26Å; E278-F350 HydrophobicContact CG-CE1 3.87Å; E278-F350 HydrophobicContact CG-CZ 3.8Å
279	C	91.5	Very high	95	Very high	135 Å²	135	59.8 Å²	59.8	91%	0.912	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-33.5	-176.6	-56.5	0	0	0	0	113.1
280	D	91.1	Very high	95	Very high	79 Å²	79	60 Å²	60	42%	0.422	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.7	58.4	-177.6	-174.6	18	0	0	0	109.8	N277 Y282 N283 N286	N277-D280 PolarHBondContact ND2-O 3.38Å; N277-D280 VanDerWaalsContact ND2-O 3.09Å; N277-D280 PolarHBondContact OD1-N 3.32Å; D280-Y282 VanDerWaalsContact C-N 3.3Å; D280-Y282 PolarHBondContact O-N 3.09Å; D280-N283 WeakPolarHBondContact O-CB 3.42Å; D280-N283 PolarHBondContact O-N 3.23Å; D280-N283 WeakPolarHBondContact OD2-CB 3.47Å; D280-N283 PolarHBondContact OD2-ND2 2.71Å; D280-N286 PolarHBondContact O-ND2 3.46Å
281	Y	89	Confident	95	Very high	67 Å²	67	55.3 Å²	55.3	26%	0.263	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-41.1	-174.2	-175.9	-89.7	0	0	0	112.8	N277 N283 N286 I299 P300	N277-Y281 WeakPolarHBondContact O-CA 3.49Å; N277-Y281 PolarHBondContact O-N 3.22Å; Y281-N283 PolarHBondContact O-N 3.13Å; Y281-N286 PolarHBondContact O-ND2 2.95Å; Y281-N286 VanDerWaalsContact O-ND2 3.15Å; Y281-I299 HydrophobicContact CD2-CG2 4.1Å; Y281-I299 HydrophobicContact CE1-CG2 4.41Å; Y281-I299 HydrophobicContact CE2-CB 4.36Å; Y281-I299 HydrophobicContact CE2-CG2 3.87Å; Y281-I299 HydrophobicContact CG-CG2 4.47Å; Y281-P300 HydrophobicContact CE2-CG 4.43Å
282	Y	90.2	Very high	95	Very high	105 Å²	105	50.7 Å²	50.7	41%	0.412	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	14.4	-176.8	-61.4	-68.9	0	0	0	113.9	D280 I393 R396	D280-Y282 VanDerWaalsContact C-N 3.3Å; D280-Y282 PolarHBondContact O-N 3.09Å; Y282-I393 HydrophobicContact CD1-CG1 4.25Å; Y282-I393 WeakPolarHBondContact O-CD1 3.36Å; Y282-I393 WeakPolarHBondContact O-CG1 3.33Å; Y282-I393 VanDerWaalsContact O-CG2 3.24Å; Y282-I393 WeakPolarHBondContact O-CG2 3.24Å; Y282-R396 VanDerWaalsContact CZ-NH1 3.3Å; Y282-R396 PolarHBondContact OH-NH1 2.79Å; Y282-R396 PolarHBondContact OH-NH2 3.4Å; Y282-R396 VanDerWaalsContact OH-NH2 3.12Å
283	N	92.1	Very high	95	Very high	32 Å²	32	50.6 Å²	50.6	17%	0.171	25%	0.254	C	S	.	.			trans	-69.9	123	170.8	-165.2	-43.4	0	0	0	110.7	D280 Y281 L285 N286	D280-N283 WeakPolarHBondContact O-CB 3.42Å; D280-N283 PolarHBondContact O-N 3.23Å; D280-N283 WeakPolarHBondContact OD2-CB 3.47Å; D280-N283 PolarHBondContact OD2-ND2 2.71Å; Y281-N283 PolarHBondContact O-N 3.13Å; N283-L285 PolarHBondContact O-N 3.2Å; N283-L285 VanDerWaalsContact O-N 3.15Å; N283-L285 VanDerWaalsContact OD1-CB 3.26Å; N283-L285 WeakPolarHBondContact OD1-CB 3.44Å; N283-L285 VanDerWaalsContact OD1-CG 3.24Å; N283-L285 WeakPolarHBondContact OD1-CG 3.32Å; N283-L285 PolarHBondContact OD1-N 3.1Å; N283-N286 WeakPolarHBondContact O-CB 3.24Å; N283-N286 PolarHBondContact O-N 3.44Å; N283-N286 PolarHBondContact O-ND2 3.34Å
284	P	93.1	Very high	94.9	Very high	38 Å²	38	50.8 Å²	50.8	25%	0.247	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-60.6	-27.3	-179.6	24.7	-34.1	0	0	0	112.9	N286 S287 Y288 L390 I393 L406	P284-N286 PolarHBondContact O-N 2.64Å; P284-N286 VanDerWaalsContact O-N 3.11Å; P284-S287 PolarHBondContact O-N 3.41Å; P284-Y288 HydrophobicContact CB-CE2 4.08Å; P284-L390 HydrophobicContact CB-CD2 4.24Å; P284-I393 HydrophobicContact CB-CG2 4.5Å; P284-L406 HydrophobicContact CB-CD2 4.1Å
285	L	95.1	Very high	94.9	Very high	60 Å²	60	54 Å²	54	31%	0.314	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-63.5	-16.4	176.4	-55.4	-179.8	0	0	0	113.1	N283 S287 Y288 Q291 R295	N283-L285 PolarHBondContact O-N 3.2Å; N283-L285 VanDerWaalsContact O-N 3.15Å; N283-L285 VanDerWaalsContact OD1-CB 3.26Å; N283-L285 WeakPolarHBondContact OD1-CB 3.44Å; N283-L285 VanDerWaalsContact OD1-CG 3.24Å; N283-L285 WeakPolarHBondContact OD1-CG 3.32Å; N283-L285 PolarHBondContact OD1-N 3.1Å; L285-S287 VanDerWaalsContact C-N 3.27Å; L285-Y288 HydrophobicContact CD2-CD2 4.03Å; L285-Y288 HydrophobicContact CD2-CE2 4.29Å; L285-Q291 HydrophobicContact CB-CB 4.24Å; L285-Q291 HydrophobicContact CB-CG 4.35Å; L285-Q291 HydrophobicContact CD2-CG 3.97Å; L285-Q291 VanDerWaalsContact O-CB 3.24Å; L285-Q291 WeakPolarHBondContact O-CB 3.34Å; L285-R295 PolarHBondContact O-NH1 3.25Å
286	N	96	Very high	94.9	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-77.7	-14.1	175	-56	-27.9	0	0	0	112.6	N277 D280 Y281 N283 P284 V292 R295 I299 S302	N277-N286 WeakPolarHBondContact CB-ND2 3.44Å; N277-N286 PolarHBondContact ND2-ND2 3.06Å; N277-N286 PolarHBondContact ND2-OD1 2.77Å; D280-N286 PolarHBondContact O-ND2 3.46Å; Y281-N286 PolarHBondContact O-ND2 2.95Å; Y281-N286 VanDerWaalsContact O-ND2 3.15Å; N283-N286 WeakPolarHBondContact O-CB 3.24Å; N283-N286 PolarHBondContact O-N 3.44Å; N283-N286 PolarHBondContact O-ND2 3.34Å; P284-N286 PolarHBondContact O-N 2.64Å; P284-N286 VanDerWaalsContact O-N 3.11Å; N286-V292 WeakPolarHBondContact O-CG2 3.48Å; N286-R295 PolarHBondContact OD1-NH1 3.06Å; N286-I299 HydrophobicContact CB-CG2 3.75Å; N286-I299 PolarHBondContact O-N 2.76Å; N286-S302 WeakPolarHBondContact O-CB 3.44Å; N286-S302 PolarHBondContact O-OG 3.35Å
287	S	95.4	Very high	94.9	Very high	4 Å²	4	53 Å²	53	3%	0.028	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-20.5	-179.8	-62.6	0	0	0	0	113.2	P284 L285 I289 I299	P284-S287 PolarHBondContact O-N 3.41Å; L285-S287 VanDerWaalsContact C-N 3.27Å; S287-I289 PolarHBondContact O-N 2.87Å; S287-I299 VanDerWaalsContact OG-CD1 3.28Å; S287-I299 WeakPolarHBondContact OG-CD1 3.18Å
288	Y	96.3	Very high	95	Very high	18 Å²	18	52.1 Å²	52.1	7%	0.071	26%	0.256	C	S	.	.			trans	-81.8	112.3	179.5	-58.6	-34.1	0	0	0	110.6	D203 C206 P284 L285 H290 Q291 V292 L390	D203-Y288 WeakPolarHBondContact OD1-CB 3.14Å; D203-Y288 VanDerWaalsContact OD2-C 3.23Å; D203-Y288 WeakPolarHBondContact OD2-CA 3.41Å; C206-Y288 HydrophobicContact CB-CE1 3.7Å; P284-Y288 HydrophobicContact CB-CE2 4.08Å; L285-Y288 HydrophobicContact CD2-CD2 4.03Å; L285-Y288 HydrophobicContact CD2-CE2 4.29Å; Y288-H290 VanDerWaalsContact C-N 3.26Å; Y288-H290 PolarHBondContact O-N 3.43Å; Y288-Q291 HydrophobicContact CD2-CG 4.44Å; Y288-Q291 CarbonylContact O-C 3.49Å; Y288-Q291 WeakPolarHBondContact O-CA 3.41Å; Y288-Q291 WeakPolarHBondContact O-CB 3.39Å; Y288-Q291 PolarHBondContact O-N 2.95Å; Y288-V292 WeakPolarHBondContact O-CG2 3.5Å; Y288-V292 PolarHBondContact O-N 3.46Å; Y288-L390 HydrophobicContact CE1-CD1 4.03Å; Y288-L390 HydrophobicContact CE1-CD2 3.91Å
289	I	97.2	Very high	95.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-54.6	-39.5	-174.8	-67.2	-59.8	0	0	0	112.6	L196 A199 D203 I217 S287 Q291 V292 L293 V305 L306	L196-I289 HydrophobicContact CD1-CG2 4.12Å; A199-I289 HydrophobicContact CB-CD1 4.12Å; A199-I289 HydrophobicContact CB-CG1 3.54Å; D203-I289 PolarHBondContact OD2-N 3.3Å; I217-I289 HydrophobicContact CG2-CG2 3.92Å; S287-I289 PolarHBondContact O-N 2.87Å; I289-Q291 VanDerWaalsContact C-N 3.28Å; I289-Q291 PolarHBondContact O-N 3.27Å; I289-V292 PolarHBondContact O-N 3.24Å; I289-L293 HydrophobicContact CG2-CD1 4.19Å; I289-L293 WeakPolarHBondContact O-CG 3.34Å; I289-L293 PolarHBondContact O-N 2.92Å; I289-V305 HydrophobicContact CD1-CG1 4.32Å; I289-L306 HydrophobicContact CG2-CD2 4.17Å
290	H	96.9	Very high	95.6	Very high	27 Å²	27	38.6 Å²	38.6	13%	0.125	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-36.3	177.3	77.4	-75.9	0	0	0	112.3	D203 N207 V212 I217 Y288 L294	D203-H290 IonicContact OD1-CE1 2.74Å; D203-H290 PolarHBondContact OD1-CE1 2.84Å; D203-H290 IonicContact OD1-ND1 2.61Å; D203-H290 PolarHBondContact OD1-ND1 3.49Å; D203-H290 IonicContact OD2-CE1 3.7Å; D203-H290 IonicContact OD2-CG 3.9Å; D203-H290 PolarHBondContact OD2-N 3.26Å; D203-H290 IonicContact OD2-ND1 2.67Å; D203-H290 PolarHBondContact OD2-ND1 3Å; N207-H290 PolarHBondContact ND2-CE1 3.23Å; V212-H290 HydrophobicContact CG1-CB 4.07Å; V212-H290 HydrophobicContact CG2-CB 3.87Å; I217-H290 HydrophobicContact CD1-CB 3.74Å; Y288-H290 VanDerWaalsContact C-N 3.26Å; Y288-H290 PolarHBondContact O-N 3.43Å; H290-L294 VanDerWaalsContact O-CB 3.32Å; H290-L294 WeakPolarHBondContact O-CB 3.42Å; H290-L294 PolarHBondContact O-N 3.15Å; H290-L294 VanDerWaalsContact O-N 3.11Å
291	Q	97.6	Very high	95.9	Very high	38 Å²	38	35 Å²	35	18%	0.178	16%	0.16	C	C	.	.	H	α-helix	trans	-75.7	-35.5	176.2	-67.3	-64.1	-37	0	0	112.1	L285 Y288 I289 L293 L294 R295	L285-Q291 HydrophobicContact CB-CB 4.24Å; L285-Q291 HydrophobicContact CB-CG 4.35Å; L285-Q291 HydrophobicContact CD2-CG 3.97Å; L285-Q291 VanDerWaalsContact O-CB 3.24Å; L285-Q291 WeakPolarHBondContact O-CB 3.34Å; Y288-Q291 HydrophobicContact CD2-CG 4.44Å; Y288-Q291 CarbonylContact O-C 3.49Å; Y288-Q291 WeakPolarHBondContact O-CA 3.41Å; Y288-Q291 WeakPolarHBondContact O-CB 3.39Å; Y288-Q291 PolarHBondContact O-N 2.95Å; I289-Q291 VanDerWaalsContact C-N 3.28Å; I289-Q291 PolarHBondContact O-N 3.27Å; Q291-L293 VanDerWaalsContact C-N 3.35Å; Q291-L294 PolarHBondContact O-N 3.03Å; Q291-R295 WeakPolarHBondContact O-CB 3.31Å; Q291-R295 WeakPolarHBondContact O-CG 3.26Å; Q291-R295 PolarHBondContact O-N 3.45Å
292	V	97.8	Very high	96.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-41.6	176.2	178.9	0	0	0	0	110.3	N286 Y288 I289 R296 T297 L303 L306	N286-V292 WeakPolarHBondContact O-CG2 3.48Å; Y288-V292 WeakPolarHBondContact O-CG2 3.5Å; Y288-V292 PolarHBondContact O-N 3.46Å; I289-V292 PolarHBondContact O-N 3.24Å; V292-R296 WeakPolarHBondContact O-CA 3.44Å; V292-R296 PolarHBondContact O-N 3.09Å; V292-T297 PolarHBondContact O-N 2.92Å; V292-L303 HydrophobicContact CG1-CD2 3.87Å; V292-L306 HydrophobicContact CB-CD1 4.47Å; V292-L306 HydrophobicContact CG1-CD1 3.61Å
293	L	97.3	Very high	96.7	Very high	9 Å²	9	27.1 Å²	27.1	5%	0.047	13%	0.13	C	C	.	.	H	α-helix	trans	-65	-44.1	173.9	-72.6	172.9	0	0	0	112.2	I217 Q220 M221 Y274 I289 Q291 L306	I217-L293 HydrophobicContact CD1-CD1 3.85Å; I217-L293 HydrophobicContact CG2-CD1 3.89Å; Q220-L293 HydrophobicContact CB-CD1 4.23Å; M221-L293 HydrophobicContact SD-CD2 3.95Å; Y274-L293 VanDerWaalsContact OH-CD2 3.29Å; Y274-L293 WeakPolarHBondContact OH-CD2 3.48Å; I289-L293 HydrophobicContact CG2-CD1 4.19Å; I289-L293 WeakPolarHBondContact O-CG 3.34Å; I289-L293 PolarHBondContact O-N 2.92Å; Q291-L293 VanDerWaalsContact C-N 3.35Å; L293-L306 HydrophobicContact CD2-CD1 4.03Å; L293-L306 HydrophobicContact CD2-CD2 3.79Å; L293-L306 HydrophobicContact CG-CD2 4.14Å
294	L	96.8	Very high	97	Very high	126 Å²	126	25.6 Å²	25.6	66%	0.66	12%	0.122	S	C	*	.	H	α-helix	trans	-66.5	-49.8	-179.2	-179.4	64.4	0	0	0	112.6	H290 Q291	H290-L294 VanDerWaalsContact O-CB 3.32Å; H290-L294 WeakPolarHBondContact O-CB 3.42Å; H290-L294 PolarHBondContact O-N 3.15Å; H290-L294 VanDerWaalsContact O-N 3.11Å; Q291-L294 PolarHBondContact O-N 3.03Å
295	R	97.3	Very high	97.3	Very high	81 Å²	81	23.8 Å²	23.8	31%	0.306	11%	0.11	S	C	.	.	H	α-helix	trans	-87.2	-12.3	-176.1	-61.1	168.5	60.7	-130.9	1.4	112.9	L285 N286 Q291 T297	L285-R295 PolarHBondContact O-NH1 3.25Å; N286-R295 PolarHBondContact OD1-NH1 3.06Å; Q291-R295 WeakPolarHBondContact O-CB 3.31Å; Q291-R295 WeakPolarHBondContact O-CG 3.26Å; Q291-R295 PolarHBondContact O-N 3.45Å; R295-T297 PolarHBondContact O-N 2.7Å; R295-T297 VanDerWaalsContact O-N 3.14Å; R295-T297 PolarHBondContact O-OG1 2.77Å
296	R	97.8	Very high	97.4	Very high	103 Å²	103	21.1 Å²	21.1	39%	0.389	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	32.2	-173.1	-51.2	-175.4	-169.5	157.2	4.4	112.5	L272 Y274 K275 V292	L272-R296 WeakPolarHBondContact O-CD 3.34Å; L272-R296 PolarHBondContact O-NH1 3.41Å; Y274-R296 CarbonylContact C-O 3.54Å; Y274-R296 VanDerWaalsContact CA-O 3.27Å; Y274-R296 WeakPolarHBondContact CA-O 3.49Å; Y274-R296 HydrophobicContact CD1-CB 3.95Å; Y274-R296 HydrophobicContact CD2-CB 4.14Å; Y274-R296 HydrophobicContact CD2-CG 4.32Å; Y274-R296 HydrophobicContact CE1-CB 4.04Å; Y274-R296 HydrophobicContact CE1-CG 4.23Å; Y274-R296 HydrophobicContact CE2-CB 4.23Å; Y274-R296 HydrophobicContact CE2-CG 3.97Å; Y274-R296 HydrophobicContact CG-CB 4Å; K275-R296 PolarHBondContact N-O 3.33Å; V292-R296 WeakPolarHBondContact O-CA 3.44Å; V292-R296 PolarHBondContact O-N 3.09Å
297	T	98.1	Very high	97.5	Very high	16 Å²	16	21.2 Å²	21.2	10%	0.098	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	124	-170.2	-61.9	0	0	0	0	108.6	K275 N277 V292 R295	K275-T297 WeakPolarHBondContact O-CA 3.47Å; N277-T297 HydrophobicContact CB-CG2 3.55Å; V292-T297 PolarHBondContact O-N 2.92Å; R295-T297 PolarHBondContact O-N 2.7Å; R295-T297 VanDerWaalsContact O-N 3.14Å; R295-T297 PolarHBondContact O-OG1 2.77Å
298	G	97.4	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	-176	-173.9	0	0	0	0	0	114.4	K275 G276 N277	K275-G298 PolarHBondContact O-N 3.33Å; K275-G298 VanDerWaalsContact O-N 3.15Å; G276-G298 WeakPolarHBondContact CA-O 3.5Å; N277-G298 PolarHBondContact N-O 3.03Å
299	I	96.9	Very high	97.7	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.021	10%	0.096	C	C	.	.			trans	-102.3	166.3	170.2	53.8	164.3	0	0	0	110.7	Y281 N286 S287 I301 S302 L303 N389	Y281-I299 HydrophobicContact CD2-CG2 4.1Å; Y281-I299 HydrophobicContact CE1-CG2 4.41Å; Y281-I299 HydrophobicContact CE2-CB 4.36Å; Y281-I299 HydrophobicContact CE2-CG2 3.87Å; Y281-I299 HydrophobicContact CG-CG2 4.47Å; N286-I299 HydrophobicContact CB-CG2 3.75Å; N286-I299 PolarHBondContact O-N 2.76Å; S287-I299 VanDerWaalsContact OG-CD1 3.28Å; S287-I299 WeakPolarHBondContact OG-CD1 3.18Å; I299-I301 VanDerWaalsContact C-N 3.34Å; I299-I301 HydrophobicContact CD1-CG2 3.65Å; I299-I301 HydrophobicContact CG1-CG2 4.04Å; I299-I301 PolarHBondContact O-N 3.34Å; I299-S302 PolarHBondContact N-OG 2.74Å; I299-S302 PolarHBondContact O-N 2.79Å; I299-S302 PolarHBondContact O-OG 3.04Å; I299-L303 PolarHBondContact O-N 3.2Å; I299-L303 VanDerWaalsContact O-N 3.1Å; I299-N389 HydrophobicContact CD1-CB 4.19Å; I299-N389 WeakPolarHBondContact CD1-ND2 3.23Å
300	P	97.6	Very high	97.7	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.026	10%	0.096	C	C	.	.	H	α-helix	trans	-49.4	-49.1	-173.2	-30.1	35.5	0	0	0	114.5	Y281 S302 L303 S304 H326 F327 F350	Y281-P300 HydrophobicContact CE2-CG 4.43Å; P300-S302 PolarHBondContact O-N 3.47Å; P300-L303 PolarHBondContact O-N 2.99Å; P300-S304 VanDerWaalsContact O-CB 3.29Å; P300-S304 WeakPolarHBondContact O-CB 2.98Å; P300-S304 PolarHBondContact O-N 3.36Å; P300-S304 PolarHBondContact O-OG 3.19Å; P300-H326 WeakPolarHBondContact CB-ND1 3.34Å; P300-H326 WeakPolarHBondContact CG-ND1 3.38Å; P300-F327 HydrophobicContact CB-CB 3.82Å; P300-F350 HydrophobicContact CB-CB 4.14Å; P300-F350 HydrophobicContact CB-CD2 4.39Å; P300-F350 HydrophobicContact CB-CG 4.46Å; P300-F350 VanDerWaalsContact CD-CD2 3.47Å; P300-F350 HydrophobicContact CG-CB 4.01Å; P300-F350 HydrophobicContact CG-CD1 4.48Å; P300-F350 HydrophobicContact CG-CD2 3.64Å; P300-F350 HydrophobicContact CG-CE2 4.17Å; P300-F350 HydrophobicContact CG-CG 3.81Å
301	I	97.9	Very high	97.6	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.015	9%	0.09	C	C	.	.	H	α-helix	trans	-64	-42.2	-179.3	-170.7	160.6	0	0	0	113.2	I299 S304 V305 F327 V382 R385 M386 N389	I299-I301 VanDerWaalsContact C-N 3.34Å; I299-I301 HydrophobicContact CD1-CG2 3.65Å; I299-I301 HydrophobicContact CG1-CG2 4.04Å; I299-I301 PolarHBondContact O-N 3.34Å; I301-S304 PolarHBondContact O-N 2.87Å; I301-V305 WeakPolarHBondContact O-CG2 3.26Å; I301-V305 PolarHBondContact O-N 3.31Å; I301-F327 HydrophobicContact CB-CB 4.09Å; I301-F327 HydrophobicContact CB-CD1 4.26Å; I301-F327 HydrophobicContact CB-CD2 4Å; I301-F327 HydrophobicContact CB-CE2 4.46Å; I301-F327 HydrophobicContact CB-CG 3.86Å; I301-F327 HydrophobicContact CD1-CD2 3.78Å; I301-F327 HydrophobicContact CD1-CE2 3.58Å; I301-F327 HydrophobicContact CD1-CG 4.45Å; I301-F327 HydrophobicContact CD1-CZ 4.11Å; I301-F327 HydrophobicContact CG1-CD1 4.22Å; I301-F327 HydrophobicContact CG1-CD2 3.85Å; I301-F327 HydrophobicContact CG1-CE1 4.18Å; I301-F327 HydrophobicContact CG1-CE2 3.8Å; I301-F327 HydrophobicContact CG1-CG 4.03Å; I301-F327 HydrophobicContact CG1-CZ 3.94Å; I301-V382 HydrophobicContact CD1-CG1 4.03Å; I301-V382 WeakPolarHBondContact CD1-O 3.34Å; I301-V382 HydrophobicContact CG1-CG1 4.23Å; I301-R385 HydrophobicContact CD1-CB 3.57Å; I301-R385 HydrophobicContact CD1-CG 3.52Å; I301-M386 HydrophobicContact CD1-CB 4.45Å; I301-M386 HydrophobicContact CD1-CG 3.53Å; I301-M386 HydrophobicContact CG1-CG 3.82Å; I301-M386 HydrophobicContact CG2-CG 4.2Å; I301-N389 WeakPolarHBondContact CG2-ND2 3.33Å
302	S	98	Very high	97.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.9	-40.7	-178.2	65.3	0	0	0	0	112.2	N286 I299 P300 V305 L306	N286-S302 WeakPolarHBondContact O-CB 3.44Å; N286-S302 PolarHBondContact O-OG 3.35Å; I299-S302 PolarHBondContact N-OG 2.74Å; I299-S302 PolarHBondContact O-N 2.79Å; I299-S302 PolarHBondContact O-OG 3.04Å; P300-S302 PolarHBondContact O-N 3.47Å; S302-V305 PolarHBondContact O-N 3.03Å; S302-L306 WeakPolarHBondContact O-CG 3.15Å; S302-L306 PolarHBondContact O-N 2.82Å
303	L	98.4	Very high	97.3	Very high	6 Å²	6	23 Å²	23	3%	0.031	10%	0.103	C	C	.	.	H	α-helix	trans	-70.4	-37.7	177.2	-66	176.2	0	0	0	111	Y274 V292 I299 P300 L306 Y307 A349 F350	Y274-L303 HydrophobicContact CD1-CD2 4.05Å; V292-L303 HydrophobicContact CG1-CD2 3.87Å; I299-L303 PolarHBondContact O-N 3.2Å; I299-L303 VanDerWaalsContact O-N 3.1Å; P300-L303 PolarHBondContact O-N 2.99Å; L303-L306 PolarHBondContact O-N 3.26Å; L303-Y307 WeakPolarHBondContact O-CB 3.35Å; L303-Y307 PolarHBondContact O-N 3.25Å; L303-A349 HydrophobicContact CB-CB 4.12Å; L303-F350 HydrophobicContact CD1-CD2 4.04Å
304	S	98.5	Very high	97.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.6	-39	174.8	-69.7	0	0	0	0	112.4	P300 I301 Y307 M308 F327	P300-S304 VanDerWaalsContact O-CB 3.29Å; P300-S304 WeakPolarHBondContact O-CB 2.98Å; P300-S304 PolarHBondContact O-N 3.36Å; P300-S304 PolarHBondContact O-OG 3.19Å; I301-S304 PolarHBondContact O-N 2.87Å; S304-Y307 PolarHBondContact O-N 3.41Å; S304-M308 VanDerWaalsContact O-CG 3.31Å; S304-M308 WeakPolarHBondContact O-CG 3.45Å; S304-M308 PolarHBondContact O-N 3.45Å; S304-F327 VanDerWaalsContact CB-CD1 3.46Å
305	V	98.4	Very high	96.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.5	-46.1	172.8	169.2	0	0	0	0	111.4	A199 I289 I301 S302 M308 T309 V382	A199-V305 HydrophobicContact CB-CG1 4.09Å; I289-V305 HydrophobicContact CD1-CG1 4.32Å; I301-V305 WeakPolarHBondContact O-CG2 3.26Å; I301-V305 PolarHBondContact O-N 3.31Å; S302-V305 PolarHBondContact O-N 3.03Å; V305-M308 HydrophobicContact CB-CE 4.19Å; V305-M308 HydrophobicContact CG2-CE 3.76Å; V305-T309 VanDerWaalsContact O-CB 3.28Å; V305-T309 WeakPolarHBondContact O-CB 3.24Å; V305-T309 PolarHBondContact O-N 3.3Å; V305-T309 VanDerWaalsContact O-N 3.14Å; V305-T309 PolarHBondContact O-OG1 2.99Å; V305-V382 HydrophobicContact CG2-CG1 4.01Å
306	L	98.3	Very high	96.7	Very high	5 Å²	5	12.8 Å²	12.8	3%	0.026	6%	0.055	C	C	.	.	H	α-helix	trans	-61.2	-48.4	175.3	-65	179.8	0	0	0	111.3	M221 Y274 I289 V292 L293 S302 L303 T309 L310	M221-L306 HydrophobicContact CE-CB 4.37Å; M221-L306 HydrophobicContact CE-CD2 3.9Å; M221-L306 WeakPolarHBondContact CE-O 3.35Å; M221-L306 HydrophobicContact SD-CD2 3.64Å; Y274-L306 HydrophobicContact CD1-CD1 4.46Å; Y274-L306 HydrophobicContact CE1-CD1 3.87Å; I289-L306 HydrophobicContact CG2-CD2 4.17Å; V292-L306 HydrophobicContact CB-CD1 4.47Å; V292-L306 HydrophobicContact CG1-CD1 3.61Å; L293-L306 HydrophobicContact CD2-CD1 4.03Å; L293-L306 HydrophobicContact CD2-CD2 3.79Å; L293-L306 HydrophobicContact CG-CD2 4.14Å; S302-L306 WeakPolarHBondContact O-CG 3.15Å; S302-L306 PolarHBondContact O-N 2.82Å; L303-L306 PolarHBondContact O-N 3.26Å; L306-T309 PolarHBondContact O-N 3.15Å; L306-L310 WeakPolarHBondContact O-CG 3.45Å; L306-L310 PolarHBondContact O-N 3.26Å
307	Y	98.6	Very high	96.4	Very high	1 Å²	1	11.8 Å²	11.8	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-62	-49.8	-176	-166.5	-78.5	0	0	0	112.1	L261 L264 N265 L268 Y269 L303 S304 T309 L310 A311 L318 L329 I347 A349	L261-Y307 HydrophobicContact CD2-CE1 3.92Å; L264-Y307 HydrophobicContact CB-CE2 4.36Å; N265-Y307 VanDerWaalsContact OD1-CE2 3.24Å; N265-Y307 WeakPolarHBondContact OD1-CE2 3.4Å; N265-Y307 PolarHBondContact OD1-OH 2.99Å; L268-Y307 HydrophobicContact CD1-CD2 3.66Å; L268-Y307 HydrophobicContact CD1-CE2 4.14Å; Y269-Y307 HydrophobicContact CE2-CD2 4.47Å; Y269-Y307 HydrophobicContact CE2-CE2 4.13Å; Y269-Y307 WeakPolarHBondContact OH-CD2 3.19Å; L303-Y307 WeakPolarHBondContact O-CB 3.35Å; L303-Y307 PolarHBondContact O-N 3.25Å; S304-Y307 PolarHBondContact O-N 3.41Å; Y307-T309 VanDerWaalsContact C-N 3.29Å; Y307-T309 PolarHBondContact O-N 3.47Å; Y307-L310 PolarHBondContact O-N 3.4Å; Y307-A311 WeakPolarHBondContact O-CB 3.29Å; Y307-A311 PolarHBondContact O-N 3.27Å; Y307-L318 HydrophobicContact CD1-CD1 3.64Å; Y307-L318 HydrophobicContact CE1-CD1 3.62Å; Y307-L329 HydrophobicContact CD1-CD1 3.59Å; Y307-L329 HydrophobicContact CE1-CD1 4.49Å; Y307-L329 HydrophobicContact CG-CD1 4.17Å; Y307-I347 HydrophobicContact CD1-CG2 4.49Å; Y307-I347 HydrophobicContact CE1-CD1 4.26Å; Y307-I347 HydrophobicContact CE1-CG2 3.95Å; Y307-A349 HydrophobicContact CD2-CB 4.36Å; Y307-A349 HydrophobicContact CG-CB 4.26Å
308	M	97.6	Very high	96.3	Very high	2 Å²	2	11 Å²	11	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-66.4	-32.2	178.9	71.4	175.8	163.7	0	0	112.6	A195 S304 V305 R312 L318 P320 L329	A195-M308 HydrophobicContact CB-CE 3.19Å; S304-M308 VanDerWaalsContact O-CG 3.31Å; S304-M308 WeakPolarHBondContact O-CG 3.45Å; S304-M308 PolarHBondContact O-N 3.45Å; V305-M308 HydrophobicContact CB-CE 4.19Å; V305-M308 HydrophobicContact CG2-CE 3.76Å; M308-R312 WeakPolarHBondContact O-CB 3.28Å; M308-R312 PolarHBondContact O-N 3.05Å; M308-L318 HydrophobicContact CB-CB 4.1Å; M308-P320 HydrophobicContact SD-CB 4.36Å; M308-P320 HydrophobicContact SD-CG 4.49Å; M308-L329 HydrophobicContact CB-CD1 3.89Å; M308-L329 HydrophobicContact CB-CD2 3.92Å; M308-L329 HydrophobicContact CG-CD2 4.31Å; M308-L329 HydrophobicContact SD-CD2 3.98Å
309	T	96.9	Very high	96.2	Very high	12 Å²	12	14.1 Å²	14.1	7%	0.074	6%	0.064	C	C	.	.	H	α-helix	trans	-68.2	-42.9	176.8	-58.1	0	0	0	0	111.2	L196 M221 V305 L306 Y307 R312 K313	L196-T309 HydrophobicContact CB-CG2 4.1Å; L196-T309 HydrophobicContact CD2-CG2 3.97Å; L196-T309 HydrophobicContact CG-CG2 4.49Å; M221-T309 HydrophobicContact CE-CG2 3.72Å; V305-T309 VanDerWaalsContact O-CB 3.28Å; V305-T309 WeakPolarHBondContact O-CB 3.24Å; V305-T309 PolarHBondContact O-N 3.3Å; V305-T309 VanDerWaalsContact O-N 3.14Å; V305-T309 PolarHBondContact O-OG1 2.99Å; L306-T309 PolarHBondContact O-N 3.15Å; Y307-T309 VanDerWaalsContact C-N 3.29Å; Y307-T309 PolarHBondContact O-N 3.47Å; T309-R312 PolarHBondContact O-N 3.05Å; T309-K313 WeakPolarHBondContact O-CG 3.5Å; T309-K313 PolarHBondContact O-N 2.85Å; T309-K313 VanDerWaalsContact O-N 3.09Å
310	L	97.1	Very high	96.2	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-67.2	-41.4	175.6	-69.5	166.6	0	0	0	112	M221 V224 A225 L264 L268 L306 Y307 R312 K313 L314	M221-L310 HydrophobicContact CB-CD2 4.48Å; M221-L310 HydrophobicContact CE-CD1 4.28Å; M221-L310 HydrophobicContact CE-CD2 3.91Å; M221-L310 HydrophobicContact CE-CG 3.61Å; M221-L310 WeakPolarHBondContact O-CD2 3.44Å; M221-L310 HydrophobicContact SD-CD2 4.37Å; M221-L310 HydrophobicContact SD-CG 4.47Å; V224-L310 HydrophobicContact CB-CD1 4.48Å; V224-L310 HydrophobicContact CB-CD2 3.95Å; V224-L310 HydrophobicContact CG1-CD1 3.67Å; V224-L310 HydrophobicContact CG1-CD2 3.87Å; V224-L310 HydrophobicContact CG1-CG 4.44Å; A225-L310 HydrophobicContact CB-CD2 4.21Å; L264-L310 HydrophobicContact CD1-CB 4.41Å; L264-L310 HydrophobicContact CD2-CB 3.72Å; L264-L310 HydrophobicContact CD2-CD1 4.44Å; L268-L310 HydrophobicContact CD1-CD1 4.03Å; L268-L310 HydrophobicContact CD2-CD1 3.78Å; L268-L310 HydrophobicContact CG-CD1 4.3Å; L306-L310 WeakPolarHBondContact O-CG 3.45Å; L306-L310 PolarHBondContact O-N 3.26Å; Y307-L310 PolarHBondContact O-N 3.4Å; L310-R312 VanDerWaalsContact C-N 3.35Å; L310-R312 PolarHBondContact O-N 2.88Å; L310-K313 PolarHBondContact O-N 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.44Å; L310-L314 PolarHBondContact O-N 3.24Å
311	A	96.1	Very high	96.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58	-47.5	175	0	0	0	0	0	111.3	L261 L264 Y307 K313 L314 G315 V316 L318	L261-A311 HydrophobicContact CD2-CB 4.35Å; L264-A311 HydrophobicContact CD1-CB 3.91Å; Y307-A311 WeakPolarHBondContact O-CB 3.29Å; Y307-A311 PolarHBondContact O-N 3.27Å; A311-K313 PolarHBondContact O-N 3.04Å; A311-L314 CarbonylContact O-C 3.44Å; A311-L314 WeakPolarHBondContact O-CA 3.16Å; A311-L314 PolarHBondContact O-N 3.24Å; A311-G315 PolarHBondContact O-N 3.15Å; A311-V316 CarbonylContact C-O 3.2Å; A311-V316 HydrophobicContact CB-CB 4.19Å; A311-V316 PolarHBondContact O-N 3.44Å; A311-L318 HydrophobicContact CB-CD1 3.56Å; A311-L318 HydrophobicContact CB-CG 3.97Å
312	R	94.3	Very high	96	Very high	65 Å²	65	17.1 Å²	17.1	25%	0.245	8%	0.081	C	C	.	.	H	α-helix	trans	-61.2	-43.7	177.8	-173.7	177.5	-66.9	144.2	3	112.3	M250 M308 T309 L310 L314 G315 V316	M250-R312 HydrophobicContact CE-CG 4.28Å; M308-R312 WeakPolarHBondContact O-CB 3.28Å; M308-R312 PolarHBondContact O-N 3.05Å; T309-R312 PolarHBondContact O-N 3.05Å; L310-R312 VanDerWaalsContact C-N 3.35Å; L310-R312 PolarHBondContact O-N 2.88Å; R312-L314 PolarHBondContact O-N 3.01Å; R312-L314 VanDerWaalsContact O-N 3.14Å; R312-G315 PolarHBondContact O-N 3.16Å; R312-V316 VanDerWaalsContact CA-O 3.29Å; R312-V316 WeakPolarHBondContact CA-O 3.42Å; R312-V316 PolarHBondContact N-O 3.47Å; R312-V316 VanDerWaalsContact N-O 3.1Å
313	K	93.1	Very high	95.9	Very high	45 Å²	45	17.1 Å²	17.1	20%	0.196	8%	0.081	C	C	.	.	H	α-helix	trans	-59.6	-23.3	174.9	-78.3	178.7	174.5	-78.7	0	113.4	D222 T309 L310 A311	D222-K313 WeakPolarHBondContact OD1-CE 3.4Å; D222-K313 IonicContact OD1-NZ 2.76Å; D222-K313 PolarHBondContact OD1-NZ 3.09Å; D222-K313 IonicContact OD2-NZ 3.23Å; T309-K313 WeakPolarHBondContact O-CG 3.5Å; T309-K313 PolarHBondContact O-N 2.85Å; T309-K313 VanDerWaalsContact O-N 3.09Å; L310-K313 PolarHBondContact O-N 3.27Å; A311-K313 PolarHBondContact O-N 3.04Å
314	L	93.5	Very high	95.6	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	13.3	176.9	-60.5	173.8	0	0	0	112.7	A228 K229 S241 V260 L264 L310 A311 R312	A228-L314 HydrophobicContact CB-CD1 3.67Å; K229-L314 HydrophobicContact CD-CD2 4.35Å; K229-L314 HydrophobicContact CG-CD2 3.6Å; S241-L314 WeakPolarHBondContact CB-O 3.17Å; S241-L314 PolarHBondContact OG-O 3.33Å; V260-L314 HydrophobicContact CG1-CB 3.41Å; V260-L314 VanDerWaalsContact CG1-CB 3.41Å; V260-L314 HydrophobicContact CG1-CD1 3.75Å; V260-L314 HydrophobicContact CG1-CG 4.24Å; L264-L314 HydrophobicContact CD1-CD1 4.37Å; L264-L314 HydrophobicContact CD2-CD1 3.64Å; L264-L314 HydrophobicContact CG-CD1 3.97Å; L310-L314 WeakPolarHBondContact O-CG 3.44Å; L310-L314 PolarHBondContact O-N 3.24Å; A311-L314 CarbonylContact O-C 3.44Å; A311-L314 WeakPolarHBondContact O-CA 3.16Å; A311-L314 PolarHBondContact O-N 3.24Å; R312-L314 PolarHBondContact O-N 3.01Å; R312-L314 VanDerWaalsContact O-N 3.14Å
315	G	92.1	Very high	95.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	22.1	174.2	0	0	0	0	0	114.9	T251 A311 R312	T251-G315 PolarHBondContact N-O 3.14Å; A311-G315 PolarHBondContact O-N 3.15Å; R312-G315 PolarHBondContact O-N 3.16Å
316	V	93.4	Very high	94.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.			trans	-115.1	119.1	174.5	-176.5	0	0	0	0	109.9	Q257 V260 L261 A311 R312 L318	Q257-V316 HydrophobicContact CB-CG1 4.29Å; Q257-V316 HydrophobicContact CB-CG2 3.95Å; Q257-V316 HydrophobicContact CG-CG1 4.42Å; Q257-V316 HydrophobicContact CG-CG2 4.02Å; V260-V316 HydrophobicContact CB-CG2 3.67Å; V260-V316 HydrophobicContact CG1-CG2 3.71Å; V260-V316 HydrophobicContact CG2-CG2 4.03Å; L261-V316 HydrophobicContact CD2-CG1 4.11Å; L261-V316 HydrophobicContact CG-CG1 4.45Å; A311-V316 CarbonylContact C-O 3.2Å; A311-V316 HydrophobicContact CB-CB 4.19Å; A311-V316 PolarHBondContact O-N 3.44Å; R312-V316 VanDerWaalsContact CA-O 3.29Å; R312-V316 WeakPolarHBondContact CA-O 3.42Å; R312-V316 PolarHBondContact N-O 3.47Å; R312-V316 VanDerWaalsContact N-O 3.1Å; V316-L318 HydrophobicContact CG1-CD2 4.13Å; V316-L318 HydrophobicContact CG1-CG 4.36Å
317	Q	92.3	Very high	94.8	Very high	81 Å²	81	25 Å²	25	38%	0.379	12%	0.124	S	C	.	.			trans	-85.9	122.7	176	-174.1	70.5	-1.5	0	0	110.1	M250	M250-Q317 HydrophobicContact SD-CB 3.97Å
318	L	95.3	Very high	94.8	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.124	C	C	.	.			trans	-119	145.2	171.9	-59.4	179.6	0	0	0	109	L261 Y307 M308 A311 V316 L329 W331 I347	L261-L318 HydrophobicContact CD2-CD1 4.12Å; Y307-L318 HydrophobicContact CD1-CD1 3.64Å; Y307-L318 HydrophobicContact CE1-CD1 3.62Å; M308-L318 HydrophobicContact CB-CB 4.1Å; A311-L318 HydrophobicContact CB-CD1 3.56Å; A311-L318 HydrophobicContact CB-CG 3.97Å; V316-L318 HydrophobicContact CG1-CD2 4.13Å; V316-L318 HydrophobicContact CG1-CG 4.36Å; L318-L329 HydrophobicContact CB-CB 4.39Å; L318-L329 HydrophobicContact CB-CD1 4.46Å; L318-L329 HydrophobicContact CD1-CD1 3.85Å; L318-W331 HydrophobicContact CD2-CB 3.61Å; L318-W331 HydrophobicContact CD2-CG 3.78Å; L318-I347 HydrophobicContact CD1-CD1 4.06Å; L318-I347 HydrophobicContact CD2-CD1 3.83Å
319	E	95.4	Very high	94.8	Very high	65 Å²	65	24.9 Å²	24.9	30%	0.304	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.6	-178.5	-57.5	178.1	132.8	0	0	110.3	L329 R330 A376	E319-L329 CarbonylContact O-C 3.54Å; E319-L329 VanDerWaalsContact O-CA 3.3Å; E319-L329 WeakPolarHBondContact O-CA 3.46Å; E319-R330 HydrophobicContact CB-CG 3.8Å; E319-R330 PolarHBondContact N-O 3.44Å; E319-R330 PolarHBondContact O-N 3.33Å; E319-R330 IonicContact OE1-NH2 3.8Å; E319-R330 IonicContact OE2-CZ 3.29Å; E319-R330 IonicContact OE2-NE 3.53Å; E319-R330 PolarHBondContact OE2-NE 3.24Å; E319-R330 IonicContact OE2-NH2 2.78Å; E319-R330 PolarHBondContact OE2-NH2 3.17Å; E319-A376 HydrophobicContact CB-CB 3.82Å
320	P	97.5	Very high	94.7	Very high	16 Å²	16	25.8 Å²	25.8	10%	0.104	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	144.7	-179.6	29.4	-33.7	0	0	0	112	M308 F327 L329 A376 I377 V382	M308-P320 HydrophobicContact SD-CB 4.36Å; M308-P320 HydrophobicContact SD-CG 4.49Å; P320-F327 HydrophobicContact CB-CE1 3.9Å; P320-F327 HydrophobicContact CB-CZ 3.57Å; P320-L329 HydrophobicContact CB-CD2 4.43Å; P320-A376 CarbonylContact O-C 3.58Å; P320-A376 VanDerWaalsContact O-CA 3.24Å; P320-A376 WeakPolarHBondContact O-CA 3.35Å; P320-I377 HydrophobicContact CB-CG1 3.98Å; P320-I377 HydrophobicContact CG-CG1 3.92Å; P320-I377 WeakPolarHBondContact CG-O 3.5Å; P320-I377 PolarHBondContact O-N 3.02Å; P320-V382 HydrophobicContact CB-CG2 3.85Å; P320-V382 HydrophobicContact CG-CG2 3.79Å
321	V	97.1	Very high	94.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	121.9	179.8	178.5	0	0	0	0	110.1	F323 L328 R330 Y346 Y373	V321-F323 VanDerWaalsContact C-N 3.28Å; V321-F323 PolarHBondContact O-N 2.95Å; V321-L328 HydrophobicContact CB-CB 4.28Å; V321-L328 PolarHBondContact N-O 3.34Å; V321-L328 PolarHBondContact O-N 2.85Å; V321-L328 VanDerWaalsContact O-N 3.13Å; V321-R330 HydrophobicContact CG2-CB 3.8Å; V321-R330 HydrophobicContact CG2-CG 3.71Å; V321-Y346 HydrophobicContact CG2-CE1 4.39Å; V321-Y373 WeakPolarHBondContact CG1-O 3.43Å
322	N	95.1	Very high	94.2	Very high	57 Å²	57	27.6 Å²	27.6	31%	0.305	14%	0.138	S	C	.	.			trans	-82.4	67.7	179.8	-168.3	26.5	0	0	0	112.2	I377 R385	N322-I377 HydrophobicContact CB-CD1 3.72Å; N322-I377 HydrophobicContact CB-CG2 3.77Å; N322-R385 VanDerWaalsContact OD1-CD 3.27Å; N322-R385 WeakPolarHBondContact OD1-CD 3.46Å; N322-R385 PolarHBondContact OD1-NE 3.33Å
323	F	94.9	Very high	93.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.			trans	-72.9	142.2	-177	-155.3	-108.4	0	0	0	112.1	V321 N325 H326 L328 C361 I365 V369 Y374	V321-F323 VanDerWaalsContact C-N 3.28Å; V321-F323 PolarHBondContact O-N 2.95Å; F323-N325 PolarHBondContact O-N 3.37Å; F323-H326 HydrophobicContact CD1-CB 4.41Å; F323-H326 CarbonylContact O-C 3.5Å; F323-H326 PolarHBondContact O-N 2.9Å; F323-H326 VanDerWaalsContact O-N 3.15Å; F323-L328 HydrophobicContact CB-CD1 3.98Å; F323-L328 HydrophobicContact CB-CG 4.15Å; F323-L328 HydrophobicContact CD1-CD1 4.07Å; F323-L328 HydrophobicContact CD2-CD1 4.21Å; F323-L328 HydrophobicContact CG-CD1 3.83Å; F323-C361 HydrophobicContact CE1-CB 4.08Å; F323-C361 WeakPolarHBondContact CE1-O 3.42Å; F323-C361 HydrophobicContact CE2-CB 4.16Å; F323-C361 HydrophobicContact CZ-CB 3.71Å; F323-I365 HydrophobicContact CD1-CD1 4.36Å; F323-I365 HydrophobicContact CD1-CG2 4Å; F323-I365 HydrophobicContact CE1-CB 4.47Å; F323-I365 HydrophobicContact CE1-CD1 3.47Å; F323-I365 VanDerWaalsContact CE1-CD1 3.47Å; F323-I365 HydrophobicContact CE1-CG1 3.87Å; F323-I365 HydrophobicContact CE1-CG2 3.77Å; F323-I365 HydrophobicContact CZ-CD1 3.76Å; F323-I365 HydrophobicContact CZ-CG1 4.43Å; F323-V369 HydrophobicContact CE2-CG2 3.67Å; F323-V369 HydrophobicContact CZ-CG2 3.77Å; F323-Y374 HydrophobicContact CD2-CE1 4.49Å; F323-Y374 HydrophobicContact CE2-CD1 4.08Å; F323-Y374 AromaticContact CE2-CE1 3.61Å; F323-Y374 HydrophobicContact CE2-CE1 3.61Å; F323-Y374 HydrophobicContact CE2-CE2 4.36Å; F323-Y374 AromaticContact CE2-CZ 3.77Å; F323-Y374 HydrophobicContact CZ-CE1 4.25Å
324	P	91.8	Very high	92.5	Very high	25 Å²	25	34.1 Å²	34.1	16%	0.162	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	136.6	180	-29.2	38.7	0	0	0	112.5	H326 I365 V369 Y373	P324-H326 PolarHBondContact O-N 3.19Å; P324-I365 HydrophobicContact CB-CD1 4.47Å; P324-I365 WeakPolarHBondContact O-CG2 3.09Å; P324-V369 HydrophobicContact CG-CG1 4.04Å; P324-Y373 HydrophobicContact CG-CD1 3.43Å; P324-Y373 VanDerWaalsContact CG-CD1 3.43Å; P324-Y373 HydrophobicContact CG-CD2 4.41Å; P324-Y373 HydrophobicContact CG-CE1 3.54Å; P324-Y373 HydrophobicContact CG-CE2 4.5Å; P324-Y373 HydrophobicContact CG-CG 3.88Å
325	N	88.3	Confident	90.8	Very high	130 Å²	130	39.8 Å²	39.8	70%	0.695	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	6.4	-178.2	-63	-36.8	0	0	0	116.3	F323 I365	F323-N325 PolarHBondContact O-N 3.37Å; N325-I365 HydrophobicContact CB-CG2 4.49Å
326	H	93.4	Very high	89.3	Confident	21 Å²	21	50.5 Å²	50.5	10%	0.097	24%	0.242	C	C	.	.	S	Bend	trans	-145	-170.6	-178.6	-151	23.7	0	0	0	111.2	P300 F323 P324 D348	P300-H326 WeakPolarHBondContact CB-ND1 3.34Å; P300-H326 WeakPolarHBondContact CG-ND1 3.38Å; F323-H326 HydrophobicContact CD1-CB 4.41Å; F323-H326 CarbonylContact O-C 3.5Å; F323-H326 PolarHBondContact O-N 2.9Å; F323-H326 VanDerWaalsContact O-N 3.15Å; P324-H326 PolarHBondContact O-N 3.19Å; H326-D348 IonicContact CD2-OD2 2.7Å; H326-D348 IonicContact CE1-OD1 2.72Å; H326-D348 IonicContact CE1-OD2 3.18Å; H326-D348 IonicContact NE2-OD1 2.65Å; H326-D348 PolarHBondContact NE2-OD1 3.37Å; H326-D348 VanDerWaalsContact NE2-OD1 3.08Å; H326-D348 IonicContact NE2-OD2 3.8Å; H326-D348 PolarHBondContact NE2-OD2 3.45Å
327	F	96.8	Very high	87.8	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.009	28%	0.28	C	S	.	.			trans	-152.7	125.4	168.7	-167.7	-85.3	0	0	0	109.4	P300 I301 S304 P320 L329 I377 V382 R385	P300-F327 HydrophobicContact CB-CB 3.82Å; I301-F327 HydrophobicContact CB-CB 4.09Å; I301-F327 HydrophobicContact CB-CD1 4.26Å; I301-F327 HydrophobicContact CB-CD2 4Å; I301-F327 HydrophobicContact CB-CE2 4.46Å; I301-F327 HydrophobicContact CB-CG 3.86Å; I301-F327 HydrophobicContact CD1-CD2 3.78Å; I301-F327 HydrophobicContact CD1-CE2 3.58Å; I301-F327 HydrophobicContact CD1-CG 4.45Å; I301-F327 HydrophobicContact CD1-CZ 4.11Å; I301-F327 HydrophobicContact CG1-CD1 4.22Å; I301-F327 HydrophobicContact CG1-CD2 3.85Å; I301-F327 HydrophobicContact CG1-CE1 4.18Å; I301-F327 HydrophobicContact CG1-CE2 3.8Å; I301-F327 HydrophobicContact CG1-CG 4.03Å; I301-F327 HydrophobicContact CG1-CZ 3.94Å; S304-F327 VanDerWaalsContact CB-CD1 3.46Å; P320-F327 HydrophobicContact CB-CE1 3.9Å; P320-F327 HydrophobicContact CB-CZ 3.57Å; F327-L329 HydrophobicContact CE1-CD2 4.45Å; F327-I377 HydrophobicContact CE2-CD1 3.76Å; F327-I377 HydrophobicContact CZ-CD1 4.13Å; F327-V382 HydrophobicContact CZ-CG1 4.37Å; F327-V382 HydrophobicContact CZ-CG2 4.12Å; F327-R385 HydrophobicContact CD2-CG 4.36Å
328	L	97.9	Very high	86.6	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	164.6	-172.6	-62.7	174.5	0	0	0	110.4	V321 F323 D348 C361 L364	V321-L328 HydrophobicContact CB-CB 4.28Å; V321-L328 PolarHBondContact N-O 3.34Å; V321-L328 PolarHBondContact O-N 2.85Å; V321-L328 VanDerWaalsContact O-N 3.13Å; F323-L328 HydrophobicContact CB-CD1 3.98Å; F323-L328 HydrophobicContact CB-CG 4.15Å; F323-L328 HydrophobicContact CD1-CD1 4.07Å; F323-L328 HydrophobicContact CD2-CD1 4.21Å; F323-L328 HydrophobicContact CG-CD1 3.83Å; L328-D348 HydrophobicContact CD2-CB 3.81Å; L328-C361 HydrophobicContact CD1-CB 4.06Å; L328-L364 HydrophobicContact CD2-CD1 4.26Å
329	L	98	Very high	85.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.3	164.1	-57.3	173.2	0	0	0	108	Y307 M308 L318 E319 P320 F327 Y346 I347	Y307-L329 HydrophobicContact CD1-CD1 3.59Å; Y307-L329 HydrophobicContact CE1-CD1 4.49Å; Y307-L329 HydrophobicContact CG-CD1 4.17Å; M308-L329 HydrophobicContact CB-CD1 3.89Å; M308-L329 HydrophobicContact CB-CD2 3.92Å; M308-L329 HydrophobicContact CG-CD2 4.31Å; M308-L329 HydrophobicContact SD-CD2 3.98Å; L318-L329 HydrophobicContact CB-CB 4.39Å; L318-L329 HydrophobicContact CB-CD1 4.46Å; L318-L329 HydrophobicContact CD1-CD1 3.85Å; E319-L329 CarbonylContact O-C 3.54Å; E319-L329 VanDerWaalsContact O-CA 3.3Å; E319-L329 WeakPolarHBondContact O-CA 3.46Å; P320-L329 HydrophobicContact CB-CD2 4.43Å; F327-L329 HydrophobicContact CE1-CD2 4.45Å; L329-Y346 CarbonylContact O-C 3.5Å; L329-Y346 VanDerWaalsContact O-CA 3.25Å; L329-Y346 WeakPolarHBondContact O-CA 3.36Å; L329-I347 HydrophobicContact CB-CB 4.28Å; L329-I347 PolarHBondContact N-O 2.91Å; L329-I347 PolarHBondContact O-N 2.89Å
330	R	95.8	Very high	85.2	Confident	30 Å²	30	61.1 Å²	61.1	11%	0.113	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145.5	169.9	69.6	179.1	-164.7	179.2	5.2	111	E319 V321 F344 V345 Y346 Y374 A376	E319-R330 HydrophobicContact CB-CG 3.8Å; E319-R330 PolarHBondContact N-O 3.44Å; E319-R330 PolarHBondContact O-N 3.33Å; E319-R330 IonicContact OE1-NH2 3.8Å; E319-R330 IonicContact OE2-CZ 3.29Å; E319-R330 IonicContact OE2-NE 3.53Å; E319-R330 PolarHBondContact OE2-NE 3.24Å; E319-R330 IonicContact OE2-NH2 2.78Å; E319-R330 PolarHBondContact OE2-NH2 3.17Å; V321-R330 HydrophobicContact CG2-CB 3.8Å; V321-R330 HydrophobicContact CG2-CG 3.71Å; R330-F344 HydrophobicContact CB-CB 4.31Å; R330-F344 HydrophobicContact CB-CD1 4.04Å; R330-F344 HydrophobicContact CB-CG 4.42Å; R330-F344 HydrophobicContact CG-CD1 3.96Å; R330-F344 HydrophobicContact CG-CE1 4.31Å; R330-V345 CarbonylContact C-O 3.58Å; R330-V345 WeakPolarHBondContact CA-O 3.27Å; R330-Y346 HydrophobicContact CB-CD1 3.86Å; R330-Y346 HydrophobicContact CB-CE1 3.76Å; R330-Y374 PolarHBondContact NH1-O 3.15Å; R330-A376 VanDerWaalsContact CZ-CB 3.43Å; R330-A376 VanDerWaalsContact NH1-N 3.12Å
331	W	94.3	Very high	84.6	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.008	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	115.9	-175.9	179	34.3	0	0	0	109	F254 Q257 R258 L261 L318 F344 V345 I347	F254-W331 AromaticContact CD2-CH2 3.83Å; F254-W331 HydrophobicContact CD2-CH2 3.83Å; F254-W331 AromaticContact CD2-CZ2 3.46Å; F254-W331 HydrophobicContact CD2-CZ2 3.46Å; F254-W331 VanDerWaalsContact CD2-CZ2 3.46Å; F254-W331 HydrophobicContact CE1-CH2 4.18Å; F254-W331 HydrophobicContact CE2-CD2 4.18Å; F254-W331 AromaticContact CE2-CE2 3.71Å; F254-W331 HydrophobicContact CE2-CE3 4.15Å; F254-W331 AromaticContact CE2-CH2 3.18Å; F254-W331 HydrophobicContact CE2-CH2 3.18Å; F254-W331 AromaticContact CE2-CZ2 3.2Å; F254-W331 HydrophobicContact CE2-CZ2 3.2Å; F254-W331 AromaticContact CE2-CZ3 3.69Å; F254-W331 HydrophobicContact CE2-CZ3 3.69Å; F254-W331 HydrophobicContact CG-CZ2 4.34Å; F254-W331 AromaticContact CZ-CH2 3.38Å; F254-W331 HydrophobicContact CZ-CH2 3.38Å; F254-W331 AromaticContact CZ-CZ2 3.92Å; F254-W331 HydrophobicContact CZ-CZ2 3.92Å; F254-W331 AromaticContact CZ-CZ3 3.74Å; F254-W331 HydrophobicContact CZ-CZ3 3.74Å; Q257-W331 HydrophobicContact CB-CZ2 3.7Å; R258-W331 HydrophobicContact CB-CH2 3.75Å; R258-W331 HydrophobicContact CB-CZ2 4.49Å; R258-W331 HydrophobicContact CG-CH2 3.96Å; R258-W331 HydrophobicContact CG-CZ3 4.41Å; L261-W331 HydrophobicContact CD1-CD2 3.65Å; L261-W331 HydrophobicContact CD1-CE3 3.49Å; L261-W331 VanDerWaalsContact CD1-CE3 3.49Å; L261-W331 HydrophobicContact CD1-CG 4.37Å; L261-W331 HydrophobicContact CD1-CH2 3.93Å; L261-W331 HydrophobicContact CD1-CZ2 4.06Å; L261-W331 HydrophobicContact CD1-CZ3 3.64Å; L318-W331 HydrophobicContact CD2-CB 3.61Å; L318-W331 HydrophobicContact CD2-CG 3.78Å; W331-F344 WeakPolarHBondContact O-CA 3.27Å; W331-V345 HydrophobicContact CE3-CB 4.1Å; W331-V345 HydrophobicContact CE3-CG1 4.3Å; W331-V345 PolarHBondContact N-O 3.39Å; W331-V345 PolarHBondContact O-N 2.93Å; W331-I347 HydrophobicContact CB-CD1 4.16Å
332	C	88.4	Confident	84.1	Confident	39 Å²	39	70.1 Å²	70.1	26%	0.264	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	129.7	-175.7	-169.7	0	0	0	0	111.2	R334 F344	C332-R334 PolarHBondContact SG-O 3.46Å; C332-F344 HydrophobicContact CB-CD1 3.99Å; C332-F344 HydrophobicContact CB-CE1 3.7Å
333	Q	79.5	Confident	83.7	Confident	87 Å²	87	68.2 Å²	68.2	41%	0.407	34%	0.344	S	S	.	.			trans	-92.6	-11.3	-179.7	-57.5	-166.7	-53.5	0	0	114	F254 D343 V345	F254-Q333 HydrophobicContact CD2-CB 4.43Å; F254-Q333 HydrophobicContact CE2-CB 3.98Å; F254-Q333 HydrophobicContact CE2-CG 3.72Å; F254-Q333 HydrophobicContact CZ-CB 4.45Å; F254-Q333 HydrophobicContact CZ-CG 4.01Å; Q333-D343 WeakPolarHBondContact CB-O 3.21Å; Q333-D343 PolarHBondContact N-O 3.29Å; Q333-V345 VanDerWaalsContact CD-CG2 3.49Å; Q333-V345 HydrophobicContact CG-CG2 3.85Å
334	R	71.6	Confident	83.6	Confident	160 Å²	160	68.7 Å²	68.7	60%	0.604	35%	0.346	S	S	*	.	S	Bend	trans	-125.2	166.3	-174.1	-72.7	-169.4	178.5	161.2	-6.1	111.6	C332 D343	C332-R334 PolarHBondContact SG-O 3.46Å; R334-D343 WeakPolarHBondContact CD-OD1 3.27Å; R334-D343 IonicContact CZ-OD1 3.59Å; R334-D343 VanDerWaalsContact CZ-OD1 3.29Å; R334-D343 IonicContact NE-OD1 3.98Å; R334-D343 PolarHBondContact NE-OD1 2.93Å; R334-D343 IonicContact NH1-OD1 3.02Å; R334-D343 PolarHBondContact NH1-OD1 2.82Å; R334-D343 IonicContact NH1-OD2 2.67Å
335	P	59	Low	83.7	Confident	120 Å²	120	68.2 Å²	68.2	78%	0.779	34%	0.343	S	S	*	.	S	Bend	trans	-55.5	145	178.4	-21.9	32.1	0	0	0	111.8	G337	P335-G337 PolarHBondContact O-N 3.14Å
336	R	59.9	Low	84.1	Confident	225 Å²	225	62.1 Å²	62.1	85%	0.849	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	130.2	-172.6	-64.2	-177.9	-176.3	-166.8	1.6	112
337	G	60.6	Low	84.4	Confident	78 Å²	78	61.1 Å²	61.1	80%	0.804	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.1	-5.3	170.8	0	0	0	0	0	116.3	P335	P335-G337 PolarHBondContact O-N 3.14Å
338	S	68.3	Low	84.4	Confident	35 Å²	35	61.4 Å²	61.4	25%	0.245	31%	0.307	C	S	.	.			trans	-83.2	132.3	169.9	-172.3	0	0	0	0	111.2	D340 D343 F344	S338-D340 PolarHBondContact OG-N 3.1Å; S338-D343 WeakPolarHBondContact CB-OD2 3.32Å; S338-D343 PolarHBondContact OG-OD2 2.93Å; S338-F344 WeakPolarHBondContact O-CE2 3.42Å; S338-F344 WeakPolarHBondContact O-CZ 3.38Å
339	E	76.4	Confident	84.4	Confident	176 Å²	176	61.4 Å²	61.4	82%	0.822	31%	0.307	S	S	*	.			trans	-105.2	5.7	170.4	-63.9	-168.3	159.9	0	0	112	I341	E339-I341 PolarHBondContact O-N 2.58Å
340	D	84.4	Confident	84.3	Confident	80 Å²	80	62.8 Å²	62.8	43%	0.428	31%	0.313	S	S	.	.			trans	-69.9	125.5	177	-168.5	-25.1	0	0	0	110.3	S338 Y342 D343 F344	S338-D340 PolarHBondContact OG-N 3.1Å; D340-Y342 PolarHBondContact O-N 3.18Å; D340-Y342 WeakPolarHBondContact OD1-CD2 3.35Å; D340-Y342 PolarHBondContact OD1-N 2.87Å; D340-D343 PolarHBondContact O-N 3.13Å; D340-F344 WeakPolarHBondContact O-CD2 3.44Å; D340-F344 WeakPolarHBondContact O-CE2 3.29Å
341	I	85.3	Confident	84.3	Confident	33 Å²	33	62.9 Å²	62.9	17%	0.169	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-54.7	-26.3	179.4	64.7	173.9	0	0	0	113.2	E339 D343 A358 Y374	E339-I341 PolarHBondContact O-N 2.58Å; I341-D343 VanDerWaalsContact C-N 3.33Å; I341-A358 HydrophobicContact CD1-CB 4.17Å; I341-A358 HydrophobicContact CG1-CB 4.47Å; I341-Y374 HydrophobicContact CG2-CD2 4.31Å; I341-Y374 HydrophobicContact CG2-CG 4.18Å
342	Y	85.8	Confident	84.4	Confident	172 Å²	172	69.7 Å²	69.7	68%	0.675	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-80.7	-11.4	-179.6	-60.6	-68.6	0	0	0	113.9	D340 F344	D340-Y342 PolarHBondContact O-N 3.18Å; D340-Y342 WeakPolarHBondContact OD1-CD2 3.35Å; D340-Y342 PolarHBondContact OD1-N 2.87Å; Y342-F344 VanDerWaalsContact C-N 3.28Å
343	D	88.2	Confident	84.8	Confident	17 Å²	17	67.9 Å²	67.9	9%	0.091	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-86.8	-0.2	174.4	-72.7	-30.9	0	0	0	112.8	Q333 R334 S338 D340 I341	Q333-D343 WeakPolarHBondContact CB-O 3.21Å; Q333-D343 PolarHBondContact N-O 3.29Å; R334-D343 WeakPolarHBondContact CD-OD1 3.27Å; R334-D343 IonicContact CZ-OD1 3.59Å; R334-D343 VanDerWaalsContact CZ-OD1 3.29Å; R334-D343 IonicContact NE-OD1 3.98Å; R334-D343 PolarHBondContact NE-OD1 2.93Å; R334-D343 IonicContact NH1-OD1 3.02Å; R334-D343 PolarHBondContact NH1-OD1 2.82Å; R334-D343 IonicContact NH1-OD2 2.67Å; S338-D343 WeakPolarHBondContact CB-OD2 3.32Å; S338-D343 PolarHBondContact OG-OD2 2.93Å; D340-D343 PolarHBondContact O-N 3.13Å; I341-D343 VanDerWaalsContact C-N 3.33Å
344	F	91.9	Very high	85.6	Confident	11 Å²	11	69.2 Å²	69.2	5%	0.048	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.4	-179.9	-63.8	-89	0	0	0	112.7	R330 W331 C332 S338 D340 Y342 Y346	R330-F344 HydrophobicContact CB-CB 4.31Å; R330-F344 HydrophobicContact CB-CD1 4.04Å; R330-F344 HydrophobicContact CB-CG 4.42Å; R330-F344 HydrophobicContact CG-CD1 3.96Å; R330-F344 HydrophobicContact CG-CE1 4.31Å; W331-F344 WeakPolarHBondContact O-CA 3.27Å; C332-F344 HydrophobicContact CB-CD1 3.99Å; C332-F344 HydrophobicContact CB-CE1 3.7Å; S338-F344 WeakPolarHBondContact O-CE2 3.42Å; S338-F344 WeakPolarHBondContact O-CZ 3.38Å; D340-F344 WeakPolarHBondContact O-CD2 3.44Å; D340-F344 WeakPolarHBondContact O-CE2 3.29Å; Y342-F344 VanDerWaalsContact C-N 3.28Å; F344-Y346 HydrophobicContact CB-CE2 4.12Å
345	V	94.7	Very high	86.7	Confident	15 Å²	15	65.1 Å²	65.1	9%	0.091	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.9	160.8	173.4	0	0	0	0	108.5	R330 W331 Q333 Q355	R330-V345 CarbonylContact C-O 3.58Å; R330-V345 WeakPolarHBondContact CA-O 3.27Å; W331-V345 HydrophobicContact CE3-CB 4.1Å; W331-V345 HydrophobicContact CE3-CG1 4.3Å; W331-V345 PolarHBondContact N-O 3.39Å; W331-V345 PolarHBondContact O-N 2.93Å; Q333-V345 VanDerWaalsContact CD-CG2 3.49Å; Q333-V345 HydrophobicContact CG-CG2 3.85Å; V345-Q355 HydrophobicContact CG1-CB 3.66Å; V345-Q355 HydrophobicContact CG1-CG 3.93Å
346	Y	96.8	Very high	88.5	Confident	1 Å²	1	59.6 Å²	59.6	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	136.6	174.9	-58.6	-89.7	0	0	0	109.7	V321 L329 R330 F344 Q355 L356 A358 C361 Y374	V321-Y346 HydrophobicContact CG2-CE1 4.39Å; L329-Y346 CarbonylContact O-C 3.5Å; L329-Y346 VanDerWaalsContact O-CA 3.25Å; L329-Y346 WeakPolarHBondContact O-CA 3.36Å; R330-Y346 HydrophobicContact CB-CD1 3.86Å; R330-Y346 HydrophobicContact CB-CE1 3.76Å; F344-Y346 HydrophobicContact CB-CE2 4.12Å; Y346-Q355 CarbonylContact O-C 3.39Å; Y346-Q355 WeakPolarHBondContact O-CA 3.39Å; Y346-L356 PolarHBondContact N-O 2.9Å; Y346-L356 PolarHBondContact O-N 3.27Å; Y346-A358 HydrophobicContact CE2-CB 4.12Å; Y346-C361 VanDerWaalsContact CB-SG 3.5Å; Y346-Y374 HydrophobicContact CD1-CD1 4.44Å; Y346-Y374 AromaticContact CE1-CD1 3.76Å; Y346-Y374 HydrophobicContact CE1-CD1 3.76Å; Y346-Y374 HydrophobicContact CE1-CG 4.44Å; Y346-Y374 HydrophobicContact CE2-CD1 4.03Å; Y346-Y374 AromaticContact CZ-CD1 3.55Å; Y346-Y374 WeakPolarHBondContact OH-CB 3.37Å
347	I	98.1	Very high	90.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.8	-177.8	-57.1	172.4	0	0	0	107.9	L261 Y307 L318 L329 W331 K354 Q355	L261-I347 HydrophobicContact CD1-CD1 3.78Å; L261-I347 HydrophobicContact CD2-CD1 4.37Å; Y307-I347 HydrophobicContact CD1-CG2 4.49Å; Y307-I347 HydrophobicContact CE1-CD1 4.26Å; Y307-I347 HydrophobicContact CE1-CG2 3.95Å; L318-I347 HydrophobicContact CD1-CD1 4.06Å; L318-I347 HydrophobicContact CD2-CD1 3.83Å; L329-I347 HydrophobicContact CB-CB 4.28Å; L329-I347 PolarHBondContact N-O 2.91Å; L329-I347 PolarHBondContact O-N 2.89Å; W331-I347 HydrophobicContact CB-CD1 4.16Å; I347-K354 WeakPolarHBondContact CA-O 3.39Å; I347-Q355 HydrophobicContact CG1-CG 4.42Å
348	D	97.6	Very high	91.5	Very high	9 Å²	9	49 Å²	49	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	97.9	173.1	-177.4	0.3	0	0	0	110.4	H326 L328 F350 G351 G353 K354 L356	H326-D348 IonicContact CD2-OD2 2.7Å; H326-D348 IonicContact CE1-OD1 2.72Å; H326-D348 IonicContact CE1-OD2 3.18Å; H326-D348 IonicContact NE2-OD1 2.65Å; H326-D348 PolarHBondContact NE2-OD1 3.37Å; H326-D348 VanDerWaalsContact NE2-OD1 3.08Å; H326-D348 IonicContact NE2-OD2 3.8Å; H326-D348 PolarHBondContact NE2-OD2 3.45Å; L328-D348 HydrophobicContact CD2-CB 3.81Å; D348-F350 VanDerWaalsContact C-N 3.26Å; D348-F350 PolarHBondContact O-N 2.85Å; D348-F350 WeakPolarHBondContact OD1-CA 3.36Å; D348-F350 VanDerWaalsContact OD1-CB 3.27Å; D348-F350 WeakPolarHBondContact OD1-CB 3.15Å; D348-F350 PolarHBondContact OD1-N 3.18Å; D348-G351 CarbonylContact O-C 3.57Å; D348-G351 PolarHBondContact O-N 3.12Å; D348-G351 PolarHBondContact OD1-N 2.95Å; D348-G351 WeakPolarHBondContact OD2-CA 3.49Å; D348-G351 PolarHBondContact OD2-N 3.19Å; D348-G353 WeakPolarHBondContact O-CA 3.42Å; D348-G353 PolarHBondContact O-N 3.44Å; D348-K354 PolarHBondContact N-O 3.43Å; D348-K354 PolarHBondContact O-N 3.04Å; D348-L356 HydrophobicContact CB-CD1 3.98Å
349	A	97.6	Very high	92.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-24.2	176.9	0	0	0	0	0	113.2	Y269 L303 Y307	Y269-A349 WeakPolarHBondContact OH-CA 3.3Å; Y269-A349 PolarHBondContact OH-O 2.91Å; L303-A349 HydrophobicContact CB-CB 4.12Å; Y307-A349 HydrophobicContact CD2-CB 4.36Å; Y307-A349 HydrophobicContact CG-CB 4.26Å
350	F	96.8	Very high	93.4	Very high	29 Å²	29	48.7 Å²	48.7	13%	0.127	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-42.9	173.6	-170.1	-95.4	0	0	0	110.6	G276 E278 P300 L303 D348 K352	G276-F350 VanDerWaalsContact CA-CD2 3.47Å; E278-F350 HydrophobicContact CG-CE1 3.87Å; E278-F350 HydrophobicContact CG-CZ 3.8Å; P300-F350 HydrophobicContact CB-CB 4.14Å; P300-F350 HydrophobicContact CB-CD2 4.39Å; P300-F350 HydrophobicContact CB-CG 4.46Å; P300-F350 VanDerWaalsContact CD-CD2 3.47Å; P300-F350 HydrophobicContact CG-CB 4.01Å; P300-F350 HydrophobicContact CG-CD1 4.48Å; P300-F350 HydrophobicContact CG-CD2 3.64Å; P300-F350 HydrophobicContact CG-CE2 4.17Å; P300-F350 HydrophobicContact CG-CG 3.81Å; L303-F350 HydrophobicContact CD1-CD2 4.04Å; D348-F350 VanDerWaalsContact C-N 3.26Å; D348-F350 PolarHBondContact O-N 2.85Å; D348-F350 WeakPolarHBondContact OD1-CA 3.36Å; D348-F350 VanDerWaalsContact OD1-CB 3.27Å; D348-F350 WeakPolarHBondContact OD1-CB 3.15Å; D348-F350 PolarHBondContact OD1-N 3.18Å; F350-K352 PolarHBondContact O-N 3.07Å; F350-K352 VanDerWaalsContact O-N 3.08Å
351	G	95.6	Very high	93.8	Very high	32 Å²	32	44.9 Å²	44.9	33%	0.33	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	34.8	174.2	0	0	0	0	0	114.6	D348 G353 K354	D348-G351 CarbonylContact O-C 3.57Å; D348-G351 PolarHBondContact O-N 3.12Å; D348-G351 PolarHBondContact OD1-N 2.95Å; D348-G351 WeakPolarHBondContact OD2-CA 3.49Å; D348-G351 PolarHBondContact OD2-N 3.19Å; G351-G353 PolarHBondContact O-N 2.9Å; G351-K354 WeakPolarHBondContact O-CB 3.46Å; G351-K354 PolarHBondContact O-N 3.39Å
352	K	96.1	Very high	94.1	Very high	145 Å²	145	45 Å²	45	63%	0.63	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	37.3	176.9	-55.3	178.6	-179.7	178.2	0	115	Y269 F350 K354	Y269-K352 HydrophobicContact CD1-CB 4.12Å; Y269-K352 HydrophobicContact CD1-CG 4.24Å; Y269-K352 VanDerWaalsContact CD2-C 3.43Å; Y269-K352 HydrophobicContact CD2-CB 4.13Å; Y269-K352 VanDerWaalsContact CD2-O 3.27Å; Y269-K352 WeakPolarHBondContact CD2-O 3.46Å; Y269-K352 WeakPolarHBondContact CE2-O 3.38Å; Y269-K352 HydrophobicContact CG-CB 3.91Å; Y269-K352 HydrophobicContact CG-CG 4.36Å; F350-K352 PolarHBondContact O-N 3.07Å; F350-K352 VanDerWaalsContact O-N 3.08Å; K352-K354 VanDerWaalsContact C-N 3.29Å; K352-K354 PolarHBondContact O-N 3.25Å
353	G	95.8	Very high	94.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.01	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	26.1	177.6	0	0	0	0	0	113.4	N265 Y269 D348 G351 Q355	N265-G353 PolarHBondContact ND2-O 3.14Å; N265-G353 VanDerWaalsContact ND2-O 3.09Å; Y269-G353 VanDerWaalsContact CE2-N 3.31Å; D348-G353 WeakPolarHBondContact O-CA 3.42Å; D348-G353 PolarHBondContact O-N 3.44Å; G351-G353 PolarHBondContact O-N 2.9Å; G353-Q355 PolarHBondContact O-N 3.5Å
354	K	96.4	Very high	94.4	Very high	114 Å²	114	47.1 Å²	47.1	50%	0.496	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	130.8	177.8	-173.6	176.8	175	-165.5	0	109.5	I347 D348 G351 K352 L356	I347-K354 WeakPolarHBondContact CA-O 3.39Å; D348-K354 PolarHBondContact N-O 3.43Å; D348-K354 PolarHBondContact O-N 3.04Å; G351-K354 WeakPolarHBondContact O-CB 3.46Å; G351-K354 PolarHBondContact O-N 3.39Å; K352-K354 VanDerWaalsContact C-N 3.29Å; K352-K354 PolarHBondContact O-N 3.25Å; K354-L356 HydrophobicContact CD-CD2 3.69Å; K354-L356 HydrophobicContact CG-CD2 3.79Å; K354-L356 HydrophobicContact CG-CG 4.33Å
355	Q	96	Very high	94.2	Very high	75 Å²	75	47.9 Å²	47.9	35%	0.35	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.7	173.7	-67.6	-179.6	22.4	0	0	109	V345 Y346 I347 G353	V345-Q355 HydrophobicContact CG1-CB 3.66Å; V345-Q355 HydrophobicContact CG1-CG 3.93Å; Y346-Q355 CarbonylContact O-C 3.39Å; Y346-Q355 WeakPolarHBondContact O-CA 3.39Å; I347-Q355 HydrophobicContact CG1-CG 4.42Å; G353-Q355 PolarHBondContact O-N 3.5Å
356	L	95.8	Very high	93.8	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.7	-169	-58.4	170.3	0	0	0	109.7	Y346 D348 K354 E360 L364	Y346-L356 PolarHBondContact N-O 2.9Å; Y346-L356 PolarHBondContact O-N 3.27Å; D348-L356 HydrophobicContact CB-CD1 3.98Å; K354-L356 HydrophobicContact CD-CD2 3.69Å; K354-L356 HydrophobicContact CG-CD2 3.79Å; K354-L356 HydrophobicContact CG-CG 4.33Å; L356-E360 HydrophobicContact CB-CB 4.13Å; L356-E360 HydrophobicContact CD2-CB 3.92Å; L356-L364 HydrophobicContact CD1-CD1 3.64Å; L356-L364 HydrophobicContact CD1-CG 4.39Å
357	T	94.1	Very high	93.3	Very high	76 Å²	76	54.8 Å²	54.8	47%	0.466	28%	0.281	S	S	.	.			trans	-77	162.9	161.9	60.4	0	0	0	0	110.5	K359 E360 C361	T357-K359 PolarHBondContact O-N 3.46Å; T357-E360 PolarHBondContact N-OE2 2.94Å; T357-E360 PolarHBondContact O-N 2.9Å; T357-E360 VanDerWaalsContact OG1-CG 3.3Å; T357-E360 WeakPolarHBondContact OG1-CG 3.35Å; T357-E360 PolarHBondContact OG1-N 3.22Å; T357-E360 PolarHBondContact OG1-OE2 2.7Å; T357-C361 PolarHBondContact O-N 2.73Å; T357-C361 VanDerWaalsContact O-N 3.11Å; T357-C361 PolarHBondContact O-SG 3.19Å; T357-C361 VanDerWaalsContact O-SG 3.37Å
358	A	90.6	Very high	92.8	Very high	6 Å²	6	62.5 Å²	62.5	5%	0.05	32%	0.317	C	S	.	.	H	α-helix	trans	-51.7	-44	176.1	0	0	0	0	0	112.3	I341 Y346 E360 C361 Y374	I341-A358 HydrophobicContact CD1-CB 4.17Å; I341-A358 HydrophobicContact CG1-CB 4.47Å; Y346-A358 HydrophobicContact CE2-CB 4.12Å; A358-E360 VanDerWaalsContact C-N 3.31Å; A358-E360 PolarHBondContact O-N 3.26Å; A358-C361 WeakPolarHBondContact O-CB 3.16Å; A358-C361 PolarHBondContact O-N 3.44Å; A358-Y374 HydrophobicContact CB-CD1 4.39Å; A358-Y374 HydrophobicContact CB-CE1 3.91Å; A358-Y374 PolarHBondContact O-OH 3.4Å
359	K	90.1	Very high	92.5	Very high	134 Å²	134	63.2 Å²	63.2	58%	0.583	32%	0.321	S	S	*	.	H	α-helix	trans	-62.9	-35.1	176.9	-167.9	178.3	-174.7	-178.9	0	113	T357 C361 E362 Y363	T357-K359 PolarHBondContact O-N 3.46Å; K359-C361 VanDerWaalsContact C-N 3.34Å; K359-E362 PolarHBondContact O-N 2.9Å; K359-Y363 WeakPolarHBondContact CE-OH 3.43Å; K359-Y363 HydrophobicContact CG-CE2 4.39Å
360	E	94.1	Very high	92.1	Very high	70 Å²	70	67 Å²	67	33%	0.327	35%	0.345	S	S	.	.	H	α-helix	trans	-74	-25.3	178	-70	168.7	125.4	0	0	113.2	L356 T357 A358 E362 Y363	L356-E360 HydrophobicContact CB-CB 4.13Å; L356-E360 HydrophobicContact CD2-CB 3.92Å; T357-E360 PolarHBondContact N-OE2 2.94Å; T357-E360 PolarHBondContact O-N 2.9Å; T357-E360 VanDerWaalsContact OG1-CG 3.3Å; T357-E360 WeakPolarHBondContact OG1-CG 3.35Å; T357-E360 PolarHBondContact OG1-N 3.22Å; T357-E360 PolarHBondContact OG1-OE2 2.7Å; A358-E360 VanDerWaalsContact C-N 3.31Å; A358-E360 PolarHBondContact O-N 3.26Å; E360-E362 VanDerWaalsContact C-N 3.32Å; E360-Y363 HydrophobicContact CB-CD2 4.35Å; E360-Y363 HydrophobicContact CG-CD2 4.25Å; E360-Y363 HydrophobicContact CG-CE2 4.41Å; E360-Y363 WeakPolarHBondContact O-CB 3.4Å; E360-Y363 PolarHBondContact O-N 3.3Å
361	C	93	Very high	91.7	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-62.6	-39.8	171	-60.8	0	0	0	0	111.4	F323 L328 Y346 T357 A358 K359 Y363 L364 Y374	F323-C361 HydrophobicContact CE1-CB 4.08Å; F323-C361 WeakPolarHBondContact CE1-O 3.42Å; F323-C361 HydrophobicContact CE2-CB 4.16Å; F323-C361 HydrophobicContact CZ-CB 3.71Å; L328-C361 HydrophobicContact CD1-CB 4.06Å; Y346-C361 VanDerWaalsContact CB-SG 3.5Å; T357-C361 PolarHBondContact O-N 2.73Å; T357-C361 VanDerWaalsContact O-N 3.11Å; T357-C361 PolarHBondContact O-SG 3.19Å; T357-C361 VanDerWaalsContact O-SG 3.37Å; A358-C361 WeakPolarHBondContact O-CB 3.16Å; A358-C361 PolarHBondContact O-N 3.44Å; K359-C361 VanDerWaalsContact C-N 3.34Å; C361-Y363 PolarHBondContact O-N 3.32Å; C361-L364 VanDerWaalsContact O-CB 3.3Å; C361-L364 WeakPolarHBondContact O-CB 3.25Å; C361-L364 PolarHBondContact O-N 3.13Å; C361-Y374 HydrophobicContact CB-CE1 3.99Å
362	E	91.6	Very high	91.4	Very high	36 Å²	36	72.9 Å²	72.9	17%	0.168	38%	0.378	C	S	.	.	H	α-helix	trans	-61.8	-32	177.4	-57.4	-174.3	145.2	0	0	112.2	K359 E360 L364 I365 G366 V369 Y374	K359-E362 PolarHBondContact O-N 2.9Å; E360-E362 VanDerWaalsContact C-N 3.32Å; E362-L364 PolarHBondContact O-N 2.99Å; E362-I365 WeakPolarHBondContact O-CG1 3.4Å; E362-I365 PolarHBondContact O-N 2.96Å; E362-G366 PolarHBondContact O-N 3.25Å; E362-V369 PolarHBondContact OE1-N 3.34Å; E362-Y374 WeakPolarHBondContact CG-OH 3.28Å; E362-Y374 PolarHBondContact OE1-OH 3.01Å
363	Y	91.4	Very high	91.2	Very high	158 Å²	158	71.4 Å²	71.4	62%	0.62	37%	0.369	S	S	*	.	H	α-helix	trans	-65.9	-23.8	175	-62.9	-46	0	0	0	113.4	K359 E360 C361 I365	K359-Y363 WeakPolarHBondContact CE-OH 3.43Å; K359-Y363 HydrophobicContact CG-CE2 4.39Å; E360-Y363 HydrophobicContact CB-CD2 4.35Å; E360-Y363 HydrophobicContact CG-CD2 4.25Å; E360-Y363 HydrophobicContact CG-CE2 4.41Å; E360-Y363 WeakPolarHBondContact O-CB 3.4Å; E360-Y363 PolarHBondContact O-N 3.3Å; C361-Y363 PolarHBondContact O-N 3.32Å; Y363-I365 VanDerWaalsContact C-N 3.27Å; Y363-I365 PolarHBondContact O-N 3.01Å
364	L	87.4	Confident	91.1	Very high	74 Å²	74	71.6 Å²	71.6	39%	0.387	37%	0.369	S	S	.	.	H	α-helix	trans	-69.5	-28.6	176.1	-58.9	180	0	0	0	112.3	L328 L356 C361 E362	L328-L364 HydrophobicContact CD2-CD1 4.26Å; L356-L364 HydrophobicContact CD1-CD1 3.64Å; L356-L364 HydrophobicContact CD1-CG 4.39Å; C361-L364 VanDerWaalsContact O-CB 3.3Å; C361-L364 WeakPolarHBondContact O-CB 3.25Å; C361-L364 PolarHBondContact O-N 3.13Å; E362-L364 PolarHBondContact O-N 2.99Å
365	I	88.5	Confident	90.9	Very high	28 Å²	28	68.9 Å²	68.9	14%	0.144	37%	0.365	C	S	.	.	H	α-helix	trans	-112.7	-9.6	-173.4	61.9	169.2	0	0	0	113.2	F323 P324 N325 E362 Y363 H367 V369	F323-I365 HydrophobicContact CD1-CD1 4.36Å; F323-I365 HydrophobicContact CD1-CG2 4Å; F323-I365 HydrophobicContact CE1-CB 4.47Å; F323-I365 HydrophobicContact CE1-CD1 3.47Å; F323-I365 VanDerWaalsContact CE1-CD1 3.47Å; F323-I365 HydrophobicContact CE1-CG1 3.87Å; F323-I365 HydrophobicContact CE1-CG2 3.77Å; F323-I365 HydrophobicContact CZ-CD1 3.76Å; F323-I365 HydrophobicContact CZ-CG1 4.43Å; P324-I365 HydrophobicContact CB-CD1 4.47Å; P324-I365 WeakPolarHBondContact O-CG2 3.09Å; N325-I365 HydrophobicContact CB-CG2 4.49Å; E362-I365 WeakPolarHBondContact O-CG1 3.4Å; E362-I365 PolarHBondContact O-N 2.96Å; Y363-I365 VanDerWaalsContact C-N 3.27Å; Y363-I365 PolarHBondContact O-N 3.01Å; I365-H367 VanDerWaalsContact C-N 3.32Å; I365-H367 WeakPolarHBondContact CD1-O 3.48Å; I365-H367 PolarHBondContact O-N 3.36Å; I365-H367 PolarHBondContact O-ND1 3.28Å; I365-V369 HydrophobicContact CD1-CG1 3.41Å; I365-V369 VanDerWaalsContact CD1-CG1 3.41Å
366	G	86.8	Confident	90.9	Very high	70 Å²	70	67 Å²	67	72%	0.722	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	14.2	174.7	0	0	0	0	0	115.3	E362	E362-G366 PolarHBondContact O-N 3.25Å
367	H	86.5	Confident	90.9	Very high	91 Å²	91	68 Å²	68	42%	0.421	37%	0.368	S	S	.	.	S	Bend	trans	-153.9	159.4	177.5	61.8	-76.7	0	0	0	111.7	I365	I365-H367 VanDerWaalsContact C-N 3.32Å; I365-H367 WeakPolarHBondContact CD1-O 3.48Å; I365-H367 PolarHBondContact O-N 3.36Å; I365-H367 PolarHBondContact O-ND1 3.28Å
368	Q	88.1	Confident	91	Very high	161 Å²	161	66.7 Å²	66.7	75%	0.752	36%	0.361	S	S	*	.			trans	-77.7	148.2	176.6	-65.6	-171.7	-35.2	0	0	111.3
369	V	90.1	Very high	91.3	Very high	25 Å²	25	67.6 Å²	67.6	15%	0.152	37%	0.366	C	S	.	.			trans	-131.3	159.3	179.9	-64.8	0	0	0	0	111	F323 P324 E362 I365 Y373 Y374	F323-V369 HydrophobicContact CE2-CG2 3.67Å; F323-V369 HydrophobicContact CZ-CG2 3.77Å; P324-V369 HydrophobicContact CG-CG1 4.04Å; E362-V369 PolarHBondContact OE1-N 3.34Å; I365-V369 HydrophobicContact CD1-CG1 3.41Å; I365-V369 VanDerWaalsContact CD1-CG1 3.41Å; V369-Y373 HydrophobicContact CB-CD2 3.81Å; V369-Y373 HydrophobicContact CB-CE2 4.49Å; V369-Y373 HydrophobicContact CB-CG 4.31Å; V369-Y373 HydrophobicContact CG1-CD2 4.45Å; V369-Y374 HydrophobicContact CG2-CE2 3.63Å
370	T	90.2	Very high	91.6	Very high	80 Å²	80	63 Å²	63	49%	0.491	35%	0.35	S	S	.	.			trans	-70.5	157.4	176.6	56.6	0	0	0	0	111.5	D372 Y373	T370-D372 PolarHBondContact O-N 2.71Å; T370-D372 VanDerWaalsContact O-N 3.14Å; T370-Y373 PolarHBondContact O-N 3.15Å; T370-Y373 VanDerWaalsContact O-N 3.16Å; T370-Y373 VanDerWaalsContact OG1-CD2 3.3Å; T370-Y373 WeakPolarHBondContact OG1-CD2 3.44Å; T370-Y373 WeakPolarHBondContact OG1-CE2 3.21Å
371	A	87.2	Confident	91.7	Very high	56 Å²	56	63.9 Å²	63.9	46%	0.463	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-55.3	-31.5	179.8	0	0	0	0	0	112.9	Y373 Y374	A371-Y373 PolarHBondContact O-N 3.27Å; A371-Y373 VanDerWaalsContact O-N 3.15Å; A371-Y374 WeakPolarHBondContact O-CB 3.11Å; A371-Y374 PolarHBondContact O-N 3.3Å
372	D	89.3	Confident	92	Very high	128 Å²	128	63.9 Å²	63.9	68%	0.684	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-58.4	-29.2	-179.8	-56.5	-32.3	0	0	0	113.6	T370 Y374 S375	T370-D372 PolarHBondContact O-N 2.71Å; T370-D372 VanDerWaalsContact O-N 3.14Å; D372-Y374 PolarHBondContact O-N 3.22Å; D372-S375 WeakPolarHBondContact O-CB 3.39Å; D372-S375 PolarHBondContact O-N 3.47Å; D372-S375 PolarHBondContact O-OG 2.91Å
373	Y	91.9	Very high	92.3	Very high	113 Å²	113	62.2 Å²	62.2	44%	0.443	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-71.3	-11.1	178.5	-74.8	-73.5	0	0	0	114	V321 P324 V369 T370 A371	V321-Y373 WeakPolarHBondContact CG1-O 3.43Å; P324-Y373 HydrophobicContact CG-CD1 3.43Å; P324-Y373 VanDerWaalsContact CG-CD1 3.43Å; P324-Y373 HydrophobicContact CG-CD2 4.41Å; P324-Y373 HydrophobicContact CG-CE1 3.54Å; P324-Y373 HydrophobicContact CG-CE2 4.5Å; P324-Y373 HydrophobicContact CG-CG 3.88Å; V369-Y373 HydrophobicContact CB-CD2 3.81Å; V369-Y373 HydrophobicContact CB-CE2 4.49Å; V369-Y373 HydrophobicContact CB-CG 4.31Å; V369-Y373 HydrophobicContact CG1-CD2 4.45Å; T370-Y373 PolarHBondContact O-N 3.15Å; T370-Y373 VanDerWaalsContact O-N 3.16Å; T370-Y373 VanDerWaalsContact OG1-CD2 3.3Å; T370-Y373 WeakPolarHBondContact OG1-CD2 3.44Å; T370-Y373 WeakPolarHBondContact OG1-CE2 3.21Å; A371-Y373 PolarHBondContact O-N 3.27Å; A371-Y373 VanDerWaalsContact O-N 3.15Å
374	Y	93.1	Very high	92.5	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.02	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-95.9	-4.2	177.7	-64.3	-84.6	0	0	0	113	F323 R330 I341 Y346 A358 C361 E362 V369 A371 D372	F323-Y374 HydrophobicContact CD2-CE1 4.49Å; F323-Y374 HydrophobicContact CE2-CD1 4.08Å; F323-Y374 AromaticContact CE2-CE1 3.61Å; F323-Y374 HydrophobicContact CE2-CE1 3.61Å; F323-Y374 HydrophobicContact CE2-CE2 4.36Å; F323-Y374 AromaticContact CE2-CZ 3.77Å; F323-Y374 HydrophobicContact CZ-CE1 4.25Å; R330-Y374 PolarHBondContact NH1-O 3.15Å; I341-Y374 HydrophobicContact CG2-CD2 4.31Å; I341-Y374 HydrophobicContact CG2-CG 4.18Å; Y346-Y374 HydrophobicContact CD1-CD1 4.44Å; Y346-Y374 AromaticContact CE1-CD1 3.76Å; Y346-Y374 HydrophobicContact CE1-CD1 3.76Å; Y346-Y374 HydrophobicContact CE1-CG 4.44Å; Y346-Y374 HydrophobicContact CE2-CD1 4.03Å; Y346-Y374 AromaticContact CZ-CD1 3.55Å; Y346-Y374 WeakPolarHBondContact OH-CB 3.37Å; A358-Y374 HydrophobicContact CB-CD1 4.39Å; A358-Y374 HydrophobicContact CB-CE1 3.91Å; A358-Y374 PolarHBondContact O-OH 3.4Å; C361-Y374 HydrophobicContact CB-CE1 3.99Å; E362-Y374 WeakPolarHBondContact CG-OH 3.28Å; E362-Y374 PolarHBondContact OE1-OH 3.01Å; V369-Y374 HydrophobicContact CG2-CE2 3.63Å; A371-Y374 WeakPolarHBondContact O-CB 3.11Å; A371-Y374 PolarHBondContact O-N 3.3Å; D372-Y374 PolarHBondContact O-N 3.22Å
375	S	93.4	Very high	93	Very high	57 Å²	57	55.4 Å²	55.4	40%	0.399	32%	0.316	S	S	.	.	S	Bend	trans	-71	149	180	-65.7	0	0	0	0	112	D372	D372-S375 WeakPolarHBondContact O-CB 3.39Å; D372-S375 PolarHBondContact O-N 3.47Å; D372-S375 PolarHBondContact O-OG 2.91Å
376	A	94.9	Very high	93.4	Very high	37 Å²	37	54.2 Å²	54.2	31%	0.306	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-65.5	146.1	170.9	0	0	0	0	0	110.1	E319 P320 R330	E319-A376 HydrophobicContact CB-CB 3.82Å; P320-A376 CarbonylContact O-C 3.58Å; P320-A376 VanDerWaalsContact O-CA 3.24Å; P320-A376 WeakPolarHBondContact O-CA 3.35Å; R330-A376 VanDerWaalsContact CZ-CB 3.43Å; R330-A376 VanDerWaalsContact NH1-N 3.12Å
377	I	96.2	Very high	93.9	Very high	24 Å²	24	50.9 Å²	50.9	12%	0.123	28%	0.276	C	S	.	.			trans	-110.9	155.8	173.7	66	170.9	0	0	0	111.1	P320 N322 F327 E381 V382	P320-I377 HydrophobicContact CB-CG1 3.98Å; P320-I377 HydrophobicContact CG-CG1 3.92Å; P320-I377 WeakPolarHBondContact CG-O 3.5Å; P320-I377 PolarHBondContact O-N 3.02Å; N322-I377 HydrophobicContact CB-CD1 3.72Å; N322-I377 HydrophobicContact CB-CG2 3.77Å; F327-I377 HydrophobicContact CE2-CD1 3.76Å; F327-I377 HydrophobicContact CZ-CD1 4.13Å; I377-E381 HydrophobicContact CB-CB 3.88Å; I377-E381 HydrophobicContact CD1-CB 4.04Å; I377-E381 HydrophobicContact CG1-CB 4.31Å; I377-V382 HydrophobicContact CD1-CG2 3.83Å; I377-V382 HydrophobicContact CG1-CG2 4.03Å
378	S	96.4	Very high	94.3	Very high	48 Å²	48	46.9 Å²	46.9	34%	0.336	26%	0.259	S	S	.	.			trans	-70.4	160.7	174.4	64	0	0	0	0	112.3	T380 E381 V382	S378-T380 PolarHBondContact O-N 3.39Å; S378-E381 WeakPolarHBondContact CB-OE2 3.5Å; S378-E381 PolarHBondContact N-OE2 2.91Å; S378-E381 PolarHBondContact O-N 2.87Å; S378-E381 VanDerWaalsContact O-N 3.09Å; S378-E381 WeakPolarHBondContact OG-CG 3.34Å; S378-E381 PolarHBondContact OG-N 2.79Å; S378-E381 PolarHBondContact OG-OE2 3.06Å; S378-V382 WeakPolarHBondContact O-CG2 3.39Å; S378-V382 PolarHBondContact O-N 2.89Å
379	T	97	Very high	94.6	Very high	24 Å²	24	40.1 Å²	40.1	15%	0.147	23%	0.228	C	C	.	.	H	α-helix	trans	-57	-39.5	172.6	-61.3	0	0	0	0	111.5	F185 Q193 A195 E381 V382 L383	F185-T379 HydrophobicContact CE1-CG2 4.22Å; F185-T379 HydrophobicContact CZ-CG2 3.95Å; Q193-T379 HydrophobicContact CB-CG2 4.02Å; Q193-T379 PolarHBondContact O-OG1 3.22Å; Q193-T379 VanDerWaalsContact O-OG1 3.04Å; A195-T379 HydrophobicContact CB-CG2 4.34Å; T379-E381 VanDerWaalsContact C-N 3.32Å; T379-E381 PolarHBondContact O-N 2.9Å; T379-V382 WeakPolarHBondContact O-CB 3.45Å; T379-V382 PolarHBondContact O-N 3.12Å; T379-V382 VanDerWaalsContact O-N 3.14Å; T379-L383 WeakPolarHBondContact O-CG 3.42Å; T379-L383 PolarHBondContact O-N 3.4Å
380	T	96.6	Very high	94.8	Very high	39 Å²	39	39 Å²	39	24%	0.239	22%	0.221	C	C	.	.	H	α-helix	trans	-56.4	-43.7	174.2	-56.6	0	0	0	0	112.4	L186 S378 L383 L384 I417	L186-T380 HydrophobicContact CD2-CG2 4.32Å; S378-T380 PolarHBondContact O-N 3.39Å; T380-L383 PolarHBondContact O-N 2.88Å; T380-L384 WeakPolarHBondContact O-CG 3.24Å; T380-L384 PolarHBondContact O-N 3.18Å; T380-I417 HydrophobicContact CG2-CG2 3.59Å
381	E	96.9	Very high	95	Very high	87 Å²	87	35.2 Å²	35.2	41%	0.407	20%	0.198	S	C	.	.	H	α-helix	trans	-68.4	-35	176.7	-72	166.8	103.6	0	0	112.7	I377 S378 T379 L383 L384 R385	I377-E381 HydrophobicContact CB-CB 3.88Å; I377-E381 HydrophobicContact CD1-CB 4.04Å; I377-E381 HydrophobicContact CG1-CB 4.31Å; S378-E381 WeakPolarHBondContact CB-OE2 3.5Å; S378-E381 PolarHBondContact N-OE2 2.91Å; S378-E381 PolarHBondContact O-N 2.87Å; S378-E381 VanDerWaalsContact O-N 3.09Å; S378-E381 WeakPolarHBondContact OG-CG 3.34Å; S378-E381 PolarHBondContact OG-N 2.79Å; S378-E381 PolarHBondContact OG-OE2 3.06Å; T379-E381 VanDerWaalsContact C-N 3.32Å; T379-E381 PolarHBondContact O-N 2.9Å; E381-L383 VanDerWaalsContact C-N 3.31Å; E381-L383 PolarHBondContact O-N 3.15Å; E381-L384 PolarHBondContact O-N 3.03Å; E381-R385 WeakPolarHBondContact O-CB 3.49Å; E381-R385 PolarHBondContact O-N 2.91Å
382	V	97.8	Very high	95.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-57	-47.8	169.7	179.7	0	0	0	0	109.7	I301 V305 P320 F327 I377 S378 T379 R385 M386	I301-V382 HydrophobicContact CD1-CG1 4.03Å; I301-V382 WeakPolarHBondContact CD1-O 3.34Å; I301-V382 HydrophobicContact CG1-CG1 4.23Å; V305-V382 HydrophobicContact CG2-CG1 4.01Å; P320-V382 HydrophobicContact CB-CG2 3.85Å; P320-V382 HydrophobicContact CG-CG2 3.79Å; F327-V382 HydrophobicContact CZ-CG1 4.37Å; F327-V382 HydrophobicContact CZ-CG2 4.12Å; I377-V382 HydrophobicContact CD1-CG2 3.83Å; I377-V382 HydrophobicContact CG1-CG2 4.03Å; S378-V382 WeakPolarHBondContact O-CG2 3.39Å; S378-V382 PolarHBondContact O-N 2.89Å; T379-V382 WeakPolarHBondContact O-CB 3.45Å; T379-V382 PolarHBondContact O-N 3.12Å; T379-V382 VanDerWaalsContact O-N 3.14Å; V382-R385 PolarHBondContact O-N 3.44Å; V382-M386 HydrophobicContact CG1-SD 4.48Å; V382-M386 WeakPolarHBondContact O-CG 3.27Å; V382-M386 PolarHBondContact O-N 2.89Å
383	L	97.6	Very high	95.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-45.3	179.3	-59.6	-175.3	0	0	0	112	L182 F185 L186 V202 T379 T380 E381 R385 M386 V387 I417	L182-L383 HydrophobicContact CD1-CD1 4.28Å; F185-L383 HydrophobicContact CD1-CD1 4.4Å; F185-L383 HydrophobicContact CE1-CD1 3.83Å; L186-L383 HydrophobicContact CD2-CD1 4.37Å; V202-L383 HydrophobicContact CG2-CD2 4.03Å; T379-L383 WeakPolarHBondContact O-CG 3.42Å; T379-L383 PolarHBondContact O-N 3.4Å; T380-L383 PolarHBondContact O-N 2.88Å; E381-L383 VanDerWaalsContact C-N 3.31Å; E381-L383 PolarHBondContact O-N 3.15Å; L383-R385 PolarHBondContact O-N 3.1Å; L383-M386 HydrophobicContact CD2-SD 4.39Å; L383-M386 WeakPolarHBondContact O-CB 3.37Å; L383-M386 PolarHBondContact O-N 3.29Å; L383-M386 VanDerWaalsContact O-N 3.13Å; L383-V387 VanDerWaalsContact O-CG2 3.29Å; L383-V387 WeakPolarHBondContact O-CG2 3.34Å; L383-V387 PolarHBondContact O-N 3.33Å; L383-I417 HydrophobicContact CB-CD1 4.08Å
384	L	97.1	Very high	95.2	Very high	30 Å²	30	25.2 Å²	25.2	16%	0.157	15%	0.145	C	C	.	.	H	α-helix	trans	-57.6	-39.1	175.1	-73	173.3	0	0	0	111.9	T380 E381 G388 Y414 I417 N418	T380-L384 WeakPolarHBondContact O-CG 3.24Å; T380-L384 PolarHBondContact O-N 3.18Å; E381-L384 PolarHBondContact O-N 3.03Å; L384-G388 PolarHBondContact O-N 3.29Å; L384-Y414 HydrophobicContact CB-CE2 4.27Å; L384-Y414 HydrophobicContact CD2-CD1 4.25Å; L384-Y414 HydrophobicContact CD2-CD2 3.89Å; L384-Y414 HydrophobicContact CD2-CE1 4.11Å; L384-Y414 HydrophobicContact CD2-CE2 3.71Å; L384-Y414 HydrophobicContact CD2-CG 4.18Å; L384-I417 HydrophobicContact CD1-CG2 4.33Å; L384-I417 HydrophobicContact CD2-CB 3.74Å; L384-I417 HydrophobicContact CD2-CD1 4.46Å; L384-I417 HydrophobicContact CD2-CG2 3.59Å; L384-I417 HydrophobicContact CG-CB 4.43Å; L384-I417 HydrophobicContact CG-CG2 3.74Å; L384-N418 HydrophobicContact CD1-CB 4.37Å; L384-N418 HydrophobicContact CD2-CB 3.89Å
385	R	96.8	Very high	95	Very high	60 Å²	60	29.1 Å²	29.1	23%	0.226	16%	0.162	C	C	.	.	H	α-helix	trans	-68.3	-41	176.2	-172.8	62.7	167.1	132.7	-0.1	112.1	I301 N322 F327 E381 V382 L383 G388 N389	I301-R385 HydrophobicContact CD1-CB 3.57Å; I301-R385 HydrophobicContact CD1-CG 3.52Å; N322-R385 VanDerWaalsContact OD1-CD 3.27Å; N322-R385 WeakPolarHBondContact OD1-CD 3.46Å; N322-R385 PolarHBondContact OD1-NE 3.33Å; F327-R385 HydrophobicContact CD2-CG 4.36Å; E381-R385 WeakPolarHBondContact O-CB 3.49Å; E381-R385 PolarHBondContact O-N 2.91Å; V382-R385 PolarHBondContact O-N 3.44Å; L383-R385 PolarHBondContact O-N 3.1Å; R385-G388 PolarHBondContact O-N 3.48Å; R385-N389 PolarHBondContact NH1-OD1 3.45Å; R385-N389 VanDerWaalsContact O-CG 3.27Å; R385-N389 PolarHBondContact O-N 3.15Å; R385-N389 PolarHBondContact O-ND2 3.01Å
386	M	97.3	Very high	94.6	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-49.1	174.9	-72.6	-174	74.9	0	0	111.7	A199 I301 V382 L383 N389 L390	A199-M386 HydrophobicContact CB-CE 3.69Å; A199-M386 HydrophobicContact CB-SD 3.71Å; I301-M386 HydrophobicContact CD1-CB 4.45Å; I301-M386 HydrophobicContact CD1-CG 3.53Å; I301-M386 HydrophobicContact CG1-CG 3.82Å; I301-M386 HydrophobicContact CG2-CG 4.2Å; V382-M386 HydrophobicContact CG1-SD 4.48Å; V382-M386 WeakPolarHBondContact O-CG 3.27Å; V382-M386 PolarHBondContact O-N 2.89Å; L383-M386 HydrophobicContact CD2-SD 4.39Å; L383-M386 WeakPolarHBondContact O-CB 3.37Å; L383-M386 PolarHBondContact O-N 3.29Å; L383-M386 VanDerWaalsContact O-N 3.13Å; M386-N389 WeakPolarHBondContact O-CB 3.47Å; M386-N389 PolarHBondContact O-N 2.86Å; M386-L390 PolarHBondContact O-N 3.44Å
387	V	96.9	Very high	93.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-39.5	178.8	-178.6	0	0	0	0	110.8	V202 L383 N389 L390 L391 S410 L413 Y414 I417	V202-V387 HydrophobicContact CG1-CG2 4.03Å; V202-V387 HydrophobicContact CG2-CG2 3.91Å; L383-V387 VanDerWaalsContact O-CG2 3.29Å; L383-V387 WeakPolarHBondContact O-CG2 3.34Å; L383-V387 PolarHBondContact O-N 3.33Å; V387-N389 VanDerWaalsContact C-N 3.27Å; V387-N389 PolarHBondContact O-N 2.88Å; V387-L390 PolarHBondContact O-N 3.27Å; V387-L390 VanDerWaalsContact O-N 3.15Å; V387-L391 WeakPolarHBondContact O-CB 3.48Å; V387-L391 PolarHBondContact O-N 2.98Å; V387-S410 WeakPolarHBondContact CG1-O 3.07Å; V387-L413 HydrophobicContact CG1-CB 4.2Å; V387-L413 HydrophobicContact CG1-CD2 4.34Å; V387-L413 HydrophobicContact CG1-CG 4.33Å; V387-L413 HydrophobicContact CG2-CD2 3.55Å; V387-L413 HydrophobicContact CG2-CG 3.85Å; V387-Y414 HydrophobicContact CB-CD2 4.43Å; V387-Y414 HydrophobicContact CG1-CD2 4.26Å; V387-I417 HydrophobicContact CG2-CD1 4.17Å
388	G	95.4	Very high	92.4	Very high	7 Å²	7	41.3 Å²	41.3	7%	0.072	21%	0.206	C	C	.	.	H	α-helix	trans	-59	-36.3	174.2	0	0	0	0	0	113.1	L384 R385 L391 N392	L384-G388 PolarHBondContact O-N 3.29Å; R385-G388 PolarHBondContact O-N 3.48Å; G388-L391 PolarHBondContact O-N 3.24Å; G388-N392 WeakPolarHBondContact O-CB 3.22Å; G388-N392 VanDerWaalsContact O-CG 3.28Å; G388-N392 PolarHBondContact O-N 2.94Å; G388-N392 PolarHBondContact O-ND2 3.35Å
389	N	94.3	Very high	90.9	Very high	19 Å²	19	40.9 Å²	40.9	10%	0.102	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-45.5	173.8	-69.5	-19.8	0	0	0	111.6	I299 I301 R385 M386 V387 N392 I393	I299-N389 HydrophobicContact CD1-CB 4.19Å; I299-N389 WeakPolarHBondContact CD1-ND2 3.23Å; I301-N389 WeakPolarHBondContact CG2-ND2 3.33Å; R385-N389 PolarHBondContact NH1-OD1 3.45Å; R385-N389 VanDerWaalsContact O-CG 3.27Å; R385-N389 PolarHBondContact O-N 3.15Å; R385-N389 PolarHBondContact O-ND2 3.01Å; M386-N389 WeakPolarHBondContact O-CB 3.47Å; M386-N389 PolarHBondContact O-N 2.86Å; V387-N389 VanDerWaalsContact C-N 3.27Å; V387-N389 PolarHBondContact O-N 2.88Å; N389-N392 PolarHBondContact O-N 3.19Å; N389-I393 WeakPolarHBondContact O-CG1 3.36Å; N389-I393 PolarHBondContact O-N 2.93Å; N389-I393 VanDerWaalsContact O-N 3.1Å
390	L	95.1	Very high	89.7	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-40.5	175.8	-69.2	173.5	0	0	0	112.4	V202 C206 P284 Y288 M386 V387 N392 I393 G394 L406 S410	V202-L390 HydrophobicContact CG1-CD1 3.95Å; C206-L390 HydrophobicContact CB-CD1 4.25Å; P284-L390 HydrophobicContact CB-CD2 4.24Å; Y288-L390 HydrophobicContact CE1-CD1 4.03Å; Y288-L390 HydrophobicContact CE1-CD2 3.91Å; M386-L390 PolarHBondContact O-N 3.44Å; V387-L390 PolarHBondContact O-N 3.27Å; V387-L390 VanDerWaalsContact O-N 3.15Å; L390-N392 VanDerWaalsContact C-N 3.33Å; L390-N392 PolarHBondContact O-N 3.07Å; L390-I393 HydrophobicContact CD2-CD1 4.48Å; L390-I393 WeakPolarHBondContact O-CB 3.29Å; L390-I393 PolarHBondContact O-N 3.41Å; L390-I393 VanDerWaalsContact O-N 3.15Å; L390-G394 PolarHBondContact O-N 3.49Å; L390-L406 HydrophobicContact CB-CD1 4.41Å; L390-L406 HydrophobicContact CD2-CD1 4.38Å; L390-S410 WeakPolarHBondContact CB-OG 3.42Å
391	L	93.6	Very high	88.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-43.2	176.1	-172	158.2	0	0	0	111.3	V387 G388 I393 G394 K395 L407 L411 Y424	V387-L391 WeakPolarHBondContact O-CB 3.48Å; V387-L391 PolarHBondContact O-N 2.98Å; G388-L391 PolarHBondContact O-N 3.24Å; L391-I393 VanDerWaalsContact C-N 3.33Å; L391-I393 PolarHBondContact O-N 3.45Å; L391-G394 PolarHBondContact O-N 2.69Å; L391-K395 HydrophobicContact CD2-CD 3.72Å; L391-K395 HydrophobicContact CD2-CG 4.19Å; L391-K395 VanDerWaalsContact CD2-NZ 3.27Å; L391-K395 WeakPolarHBondContact O-CG 3.02Å; L391-K395 PolarHBondContact O-N 3.49Å; L391-L407 HydrophobicContact CD2-CD1 4.4Å; L391-L407 HydrophobicContact CG-CD1 4.13Å; L391-L411 HydrophobicContact CD1-CD2 3.63Å; L391-L411 HydrophobicContact CD1-CG 4.01Å; L391-L411 HydrophobicContact CG-CD2 4.42Å; L391-L411 HydrophobicContact CG-CG 4.45Å; L391-Y424 HydrophobicContact CD1-CD2 3.85Å; L391-Y424 HydrophobicContact CD1-CE2 3.61Å; L391-Y424 HydrophobicContact CD1-CG 4.42Å; L391-Y424 HydrophobicContact CD2-CE1 4.4Å
392	N	91.8	Very high	87.6	Confident	61 Å²	61	48.9 Å²	48.9	33%	0.326	24%	0.243	S	C	.	.	H	α-helix	trans	-65.9	-33.9	175.8	-74.5	-30.3	0	0	0	112.8	G388 N389 L390 R396	G388-N392 WeakPolarHBondContact O-CB 3.22Å; G388-N392 VanDerWaalsContact O-CG 3.28Å; G388-N392 PolarHBondContact O-N 2.94Å; G388-N392 PolarHBondContact O-ND2 3.35Å; N389-N392 PolarHBondContact O-N 3.19Å; L390-N392 VanDerWaalsContact C-N 3.33Å; L390-N392 PolarHBondContact O-N 3.07Å; N392-R396 VanDerWaalsContact O-CG 3.29Å; N392-R396 WeakPolarHBondContact O-CG 3.24Å; N392-R396 PolarHBondContact O-N 3.44Å
393	I	91.8	Very high	86.9	Confident	22 Å²	22	49.8 Å²	49.8	11%	0.113	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-47.6	172.4	-65.8	166.3	0	0	0	110	Y282 P284 N389 L390 L391 K395 R396 G397 L406	Y282-I393 HydrophobicContact CD1-CG1 4.25Å; Y282-I393 WeakPolarHBondContact O-CD1 3.36Å; Y282-I393 WeakPolarHBondContact O-CG1 3.33Å; Y282-I393 VanDerWaalsContact O-CG2 3.24Å; Y282-I393 WeakPolarHBondContact O-CG2 3.24Å; P284-I393 HydrophobicContact CB-CG2 4.5Å; N389-I393 WeakPolarHBondContact O-CG1 3.36Å; N389-I393 PolarHBondContact O-N 2.93Å; N389-I393 VanDerWaalsContact O-N 3.1Å; L390-I393 HydrophobicContact CD2-CD1 4.48Å; L390-I393 WeakPolarHBondContact O-CB 3.29Å; L390-I393 PolarHBondContact O-N 3.41Å; L390-I393 VanDerWaalsContact O-N 3.15Å; L391-I393 VanDerWaalsContact C-N 3.33Å; L391-I393 PolarHBondContact O-N 3.45Å; I393-K395 VanDerWaalsContact C-N 3.33Å; I393-K395 PolarHBondContact O-N 3.28Å; I393-R396 PolarHBondContact O-N 2.9Å; I393-R396 VanDerWaalsContact O-N 3.15Å; I393-G397 PolarHBondContact O-N 3.01Å; I393-L406 HydrophobicContact CB-CD2 4.24Å; I393-L406 HydrophobicContact CG2-CD2 3.79Å
394	G	89.6	Confident	86.3	Confident	4 Å²	4	53.2 Å²	53.2	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-42.8	176.8	0	0	0	0	0	113	L390 L391 R396 G397	L390-G394 PolarHBondContact O-N 3.49Å; L391-G394 PolarHBondContact O-N 2.69Å; G394-R396 VanDerWaalsContact C-N 3.33Å; G394-R396 PolarHBondContact O-N 2.9Å; G394-G397 PolarHBondContact O-N 2.84Å
395	K	88.6	Confident	85.7	Confident	87 Å²	87	53.5 Å²	53.5	38%	0.378	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-34.7	175.7	-77.9	178.4	174.3	165.2	0	114	L391 I393 L407	L391-K395 HydrophobicContact CD2-CD 3.72Å; L391-K395 HydrophobicContact CD2-CG 4.19Å; L391-K395 VanDerWaalsContact CD2-NZ 3.27Å; L391-K395 WeakPolarHBondContact O-CG 3.02Å; L391-K395 PolarHBondContact O-N 3.49Å; I393-K395 VanDerWaalsContact C-N 3.33Å; I393-K395 PolarHBondContact O-N 3.28Å; K395-L407 HydrophobicContact CG-CD1 3.77Å
396	R	85.1	Confident	85.4	Confident	157 Å²	157	51.6 Å²	51.6	59%	0.592	26%	0.257	S	S	*	.	H	α-helix	trans	-80.3	-19	-178.1	-75.3	173.3	179.5	-116.4	1.1	113.3	Y282 N392 I393 G394	Y282-R396 VanDerWaalsContact CZ-NH1 3.3Å; Y282-R396 PolarHBondContact OH-NH1 2.79Å; Y282-R396 PolarHBondContact OH-NH2 3.4Å; Y282-R396 VanDerWaalsContact OH-NH2 3.12Å; N392-R396 VanDerWaalsContact O-CG 3.29Å; N392-R396 WeakPolarHBondContact O-CG 3.24Å; N392-R396 PolarHBondContact O-N 3.44Å; I393-R396 PolarHBondContact O-N 2.9Å; I393-R396 VanDerWaalsContact O-N 3.15Å; G394-R396 VanDerWaalsContact C-N 3.33Å; G394-R396 PolarHBondContact O-N 2.9Å
397	G	77.1	Confident	85.2	Confident	27 Å²	27	52 Å²	52	28%	0.278	26%	0.26	S	S	.	.	S	Bend	trans	-60.2	148.6	-178.5	0	0	0	0	0	112.4	I393 G394 G399 S403	I393-G397 PolarHBondContact O-N 3.01Å; G394-G397 PolarHBondContact O-N 2.84Å; G397-G399 PolarHBondContact O-N 3.15Å; G397-S403 WeakPolarHBondContact CA-OG 3.44Å
398	E	68.7	Low	84.9	Confident	190 Å²	190	52.5 Å²	52.5	89%	0.888	26%	0.261	S	S	*	.			trans	-72.7	37.1	-175.1	-59.6	179.8	165.5	0	0	113.7	N400	E398-N400 PolarHBondContact O-N 3.49Å
399	G	64.9	Low	84.7	Confident	40 Å²	40	52.2 Å²	52.2	41%	0.412	26%	0.258	S	S	.	.	S	Bend	trans	64.1	22.1	178	0	0	0	0	0	114.7	G397 Y404	G397-G399 PolarHBondContact O-N 3.15Å; G399-Y404 WeakPolarHBondContact O-CE2 3.35Å
400	N	70.3	Confident	84.7	Confident	70 Å²	70	51.3 Å²	51.3	37%	0.374	25%	0.253	S	S	.	.			trans	-82.1	162.1	173.6	70.9	44.4	0	0	0	111.7	E398 K402 S403 Y404	E398-N400 PolarHBondContact O-N 3.49Å; N400-K402 PolarHBondContact O-N 3.18Å; N400-K402 PolarHBondContact OD1-N 3.16Å; N400-S403 PolarHBondContact O-N 3.02Å; N400-S403 VanDerWaalsContact O-N 3.08Å; N400-S403 PolarHBondContact OD1-N 3.43Å; N400-S403 PolarHBondContact OD1-OG 3.12Å; N400-S403 VanDerWaalsContact OD1-OG 3.05Å; N400-Y404 WeakPolarHBondContact O-CD2 3.49Å; N400-Y404 PolarHBondContact O-N 3.33Å; N400-Y404 VanDerWaalsContact O-N 3.09Å
401	E	72.4	Confident	84.6	Confident	93 Å²	93	51.3 Å²	51.3	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-55.5	-39	-176.4	-170.9	-175.1	172.8	0	0	112.6	K168 Y404 Q405	K168-E401 IonicContact NZ-OE1 3.58Å; E401-Y404 PolarHBondContact O-N 2.96Å; E401-Q405 VanDerWaalsContact O-CB 3.24Å; E401-Q405 WeakPolarHBondContact O-CB 3.49Å; E401-Q405 PolarHBondContact O-N 2.92Å
402	K	78.4	Confident	84.5	Confident	155 Å²	155	52 Å²	52	67%	0.674	26%	0.257	S	S	*	.	H	α-helix	trans	-66.8	-39.4	179.5	-65.4	177.7	-178.3	170.4	0	111.9	N400 Q405 L406	N400-K402 PolarHBondContact O-N 3.18Å; N400-K402 PolarHBondContact OD1-N 3.16Å; K402-Q405 PolarHBondContact O-N 2.77Å; K402-L406 WeakPolarHBondContact O-CB 3.24Å; K402-L406 PolarHBondContact O-N 3.46Å
403	S	82.9	Confident	84.7	Confident	20 Å²	20	49.2 Å²	49.2	14%	0.14	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-43.3	177.6	-62.4	0	0	0	0	111.8	G397 N400 L406 L407	G397-S403 WeakPolarHBondContact CA-OG 3.44Å; N400-S403 PolarHBondContact O-N 3.02Å; N400-S403 VanDerWaalsContact O-N 3.08Å; N400-S403 PolarHBondContact OD1-N 3.43Å; N400-S403 PolarHBondContact OD1-OG 3.12Å; N400-S403 VanDerWaalsContact OD1-OG 3.05Å; S403-L406 PolarHBondContact O-N 2.86Å; S403-L407 WeakPolarHBondContact O-CB 3.27Å; S403-L407 PolarHBondContact O-N 3.37Å
404	Y	84.1	Confident	84.9	Confident	71 Å²	71	49.5 Å²	49.5	28%	0.278	24%	0.242	S	C	.	.	H	α-helix	trans	-66	-38.9	174.4	-76.6	-59.1	0	0	0	112.7	G399 N400 E401 L407 R408 L431 H434 L435	G399-Y404 WeakPolarHBondContact O-CE2 3.35Å; N400-Y404 WeakPolarHBondContact O-CD2 3.49Å; N400-Y404 PolarHBondContact O-N 3.33Å; N400-Y404 VanDerWaalsContact O-N 3.09Å; E401-Y404 PolarHBondContact O-N 2.96Å; Y404-L407 PolarHBondContact O-N 3.35Å; Y404-R408 WeakPolarHBondContact O-CB 3.25Å; Y404-R408 PolarHBondContact O-N 2.97Å; Y404-L431 HydrophobicContact CD1-CD1 3.59Å; Y404-L431 HydrophobicContact CE1-CD1 4.04Å; Y404-H434 AromaticContact CZ-NE2 4Å; Y404-H434 PolarHBondContact OH-NE2 3.4Å; Y404-L435 HydrophobicContact CD1-CD2 4.46Å; Y404-L435 HydrophobicContact CD2-CD2 4.44Å; Y404-L435 HydrophobicContact CG-CD2 4.23Å
405	Q	85.6	Confident	85.2	Confident	37 Å²	37	50 Å²	50	17%	0.173	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-50.1	173.6	177.5	71.3	46.7	0	0	110.9	Y171 E401 K402 L407 R408 D409	Y171-Q405 PolarHBondContact OH-NE2 3.45Å; E401-Q405 VanDerWaalsContact O-CB 3.24Å; E401-Q405 WeakPolarHBondContact O-CB 3.49Å; E401-Q405 PolarHBondContact O-N 2.92Å; K402-Q405 PolarHBondContact O-N 2.77Å; Q405-L407 VanDerWaalsContact C-N 3.35Å; Q405-L407 PolarHBondContact O-N 2.83Å; Q405-R408 PolarHBondContact O-N 3.35Å; Q405-D409 VanDerWaalsContact NE2-CG 3.26Å; Q405-D409 PolarHBondContact NE2-OD1 3.47Å; Q405-D409 PolarHBondContact NE2-OD2 2.9Å; Q405-D409 VanDerWaalsContact O-CG 3.24Å; Q405-D409 PolarHBondContact O-N 3.35Å
406	L	90.2	Very high	85.4	Confident	19 Å²	19	47.8 Å²	47.8	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-42.7	177.7	179.2	61.9	0	0	0	111.8	P284 L390 I393 K402 S403 R408 D409 S410	P284-L406 HydrophobicContact CB-CD2 4.1Å; L390-L406 HydrophobicContact CB-CD1 4.41Å; L390-L406 HydrophobicContact CD2-CD1 4.38Å; I393-L406 HydrophobicContact CB-CD2 4.24Å; I393-L406 HydrophobicContact CG2-CD2 3.79Å; K402-L406 WeakPolarHBondContact O-CB 3.24Å; K402-L406 PolarHBondContact O-N 3.46Å; S403-L406 PolarHBondContact O-N 2.86Å; L406-R408 VanDerWaalsContact C-N 3.34Å; L406-D409 PolarHBondContact O-N 3.3Å; L406-S410 VanDerWaalsContact O-CB 3.25Å; L406-S410 WeakPolarHBondContact O-CB 3.3Å; L406-S410 PolarHBondContact O-N 3.38Å; L406-S410 PolarHBondContact O-OG 2.81Å
407	L	91.7	Very high	85.9	Confident	13 Å²	13	41.3 Å²	41.3	7%	0.068	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-45.2	177.3	179.3	57.7	0	0	0	111.1	L391 K395 S403 Y404 Q405 L411 L431	L391-L407 HydrophobicContact CD2-CD1 4.4Å; L391-L407 HydrophobicContact CG-CD1 4.13Å; K395-L407 HydrophobicContact CG-CD1 3.77Å; S403-L407 WeakPolarHBondContact O-CB 3.27Å; S403-L407 PolarHBondContact O-N 3.37Å; Y404-L407 PolarHBondContact O-N 3.35Å; Q405-L407 VanDerWaalsContact C-N 3.35Å; Q405-L407 PolarHBondContact O-N 2.83Å; L407-L411 HydrophobicContact CD1-CD1 3.99Å; L407-L411 HydrophobicContact CD1-CG 4.31Å; L407-L411 HydrophobicContact CG-CD1 3.99Å; L407-L411 WeakPolarHBondContact O-CB 3.46Å; L407-L411 VanDerWaalsContact O-CG 3.31Å; L407-L411 WeakPolarHBondContact O-CG 3.38Å; L407-L411 PolarHBondContact O-N 3.26Å; L407-L431 HydrophobicContact CD2-CD1 4.29Å; L407-L431 HydrophobicContact CD2-CD2 4.21Å; L407-L431 HydrophobicContact CG-CD2 4.01Å
408	R	90.7	Very high	86.7	Confident	10 Å²	10	42.7 Å²	42.7	4%	0.038	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-54.7	176.6	-179.9	178.2	78.1	-152	-4.5	111.4	Y404 Q405 L406 S410 L411 D412 L431 Y432	Y404-R408 WeakPolarHBondContact O-CB 3.25Å; Y404-R408 PolarHBondContact O-N 2.97Å; Q405-R408 PolarHBondContact O-N 3.35Å; L406-R408 VanDerWaalsContact C-N 3.34Å; R408-S410 VanDerWaalsContact C-N 3.27Å; R408-S410 PolarHBondContact O-N 3.05Å; R408-L411 PolarHBondContact O-N 3.21Å; R408-L411 VanDerWaalsContact O-N 3.12Å; R408-D412 VanDerWaalsContact O-CG 3.32Å; R408-D412 PolarHBondContact O-N 3.4Å; R408-L431 HydrophobicContact CB-CD2 4Å; R408-Y432 HydrophobicContact CG-CE1 3.98Å
409	D	91.9	Very high	87.9	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-60.7	-42.1	-176.8	-65.2	-20.9	0	0	0	110.3	Y171 Q175 Y205 Q405 L406 L411 D412 L413	Y171-D409 PolarHBondContact OH-OD2 2.94Å; Q175-D409 VanDerWaalsContact NE2-CG 3.26Å; Q175-D409 PolarHBondContact NE2-OD1 2.9Å; Q175-D409 VanDerWaalsContact NE2-OD1 3.1Å; Y205-D409 HydrophobicContact CD1-CB 4.48Å; Y205-D409 HydrophobicContact CE1-CB 4.07Å; Y205-D409 VanDerWaalsContact CE1-O 3.25Å; Y205-D409 WeakPolarHBondContact CE1-O 3.31Å; Q405-D409 VanDerWaalsContact NE2-CG 3.26Å; Q405-D409 PolarHBondContact NE2-OD1 3.47Å; Q405-D409 PolarHBondContact NE2-OD2 2.9Å; Q405-D409 VanDerWaalsContact O-CG 3.24Å; Q405-D409 PolarHBondContact O-N 3.35Å; L406-D409 PolarHBondContact O-N 3.3Å; D409-L411 PolarHBondContact O-N 3.18Å; D409-D412 PolarHBondContact O-N 2.74Å; D409-L413 VanDerWaalsContact O-CB 3.31Å; D409-L413 WeakPolarHBondContact O-CB 3.25Å; D409-L413 PolarHBondContact O-N 3.02Å
410	S	94.4	Very high	89.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-37.3	177	-53	0	0	0	0	112.5	V387 L390 L406 R408 Y414	V387-S410 WeakPolarHBondContact CG1-O 3.07Å; L390-S410 WeakPolarHBondContact CB-OG 3.42Å; L406-S410 VanDerWaalsContact O-CB 3.25Å; L406-S410 WeakPolarHBondContact O-CB 3.3Å; L406-S410 PolarHBondContact O-N 3.38Å; L406-S410 PolarHBondContact O-OG 2.81Å; R408-S410 VanDerWaalsContact C-N 3.27Å; R408-S410 PolarHBondContact O-N 3.05Å; S410-Y414 VanDerWaalsContact O-CB 3.28Å; S410-Y414 WeakPolarHBondContact O-CB 3.28Å; S410-Y414 PolarHBondContact O-N 3.37Å
411	L	93.8	Very high	90.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.9	-46.9	175.6	-81.4	165.1	0	0	0	111.9	L391 L407 R408 D409 L413 Y414 L415 Y424 L427 L431	L391-L411 HydrophobicContact CD1-CD2 3.63Å; L391-L411 HydrophobicContact CD1-CG 4.01Å; L391-L411 HydrophobicContact CG-CD2 4.42Å; L391-L411 HydrophobicContact CG-CG 4.45Å; L407-L411 HydrophobicContact CD1-CD1 3.99Å; L407-L411 HydrophobicContact CD1-CG 4.31Å; L407-L411 HydrophobicContact CG-CD1 3.99Å; L407-L411 WeakPolarHBondContact O-CB 3.46Å; L407-L411 VanDerWaalsContact O-CG 3.31Å; L407-L411 WeakPolarHBondContact O-CG 3.38Å; L407-L411 PolarHBondContact O-N 3.26Å; R408-L411 PolarHBondContact O-N 3.21Å; R408-L411 VanDerWaalsContact O-N 3.12Å; D409-L411 PolarHBondContact O-N 3.18Å; L411-L413 VanDerWaalsContact C-N 3.28Å; L411-L413 PolarHBondContact O-N 2.84Å; L411-Y414 PolarHBondContact O-N 3.36Å; L411-L415 WeakPolarHBondContact O-CB 3.42Å; L411-L415 WeakPolarHBondContact O-CG 3.38Å; L411-L415 PolarHBondContact O-N 2.79Å; L411-Y424 HydrophobicContact CD2-CG 4.19Å; L411-L427 HydrophobicContact CD1-CD2 4.26Å; L411-L427 HydrophobicContact CD1-CG 4.03Å; L411-L427 HydrophobicContact CD2-CB 4.47Å; L411-L427 HydrophobicContact CD2-CD2 4.06Å; L411-L427 HydrophobicContact CD2-CG 4.32Å; L411-L431 HydrophobicContact CD1-CD2 3.84Å
412	D	91.7	Very high	91.5	Very high	16 Å²	16	34.3 Å²	34.3	9%	0.086	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-42	179.4	-68.5	-4	0	0	0	110.7	Y205 R408 D409 T416 Q428 Y432	Y205-D412 WeakPolarHBondContact OH-CB 3.24Å; R408-D412 VanDerWaalsContact O-CG 3.32Å; R408-D412 PolarHBondContact O-N 3.4Å; D409-D412 PolarHBondContact O-N 2.74Å; D412-T416 WeakPolarHBondContact O-CB 3.45Å; D412-T416 PolarHBondContact O-N 2.7Å; D412-T416 PolarHBondContact O-OG1 3.11Å; D412-Q428 PolarHBondContact OD1-NE2 2.91Å; D412-Y432 PolarHBondContact OD1-OH 3.31Å; D412-Y432 PolarHBondContact OD2-OH 3.07Å
413	L	94.8	Very high	92.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-67.5	-45.4	176.3	-172.2	59.9	0	0	0	112	L179 L182 V202 Y205 V387 D409 L411 L415 T416 I417	L179-L413 HydrophobicContact CD2-CD1 4.23Å; L182-L413 HydrophobicContact CD2-CD1 3.37Å; V202-L413 HydrophobicContact CB-CD2 4.28Å; V202-L413 HydrophobicContact CG1-CD2 4.06Å; V202-L413 HydrophobicContact CG2-CD2 4.15Å; Y205-L413 HydrophobicContact CD1-CB 3.78Å; Y205-L413 HydrophobicContact CD1-CD1 4.05Å; Y205-L413 HydrophobicContact CD1-CD2 3.89Å; Y205-L413 HydrophobicContact CD1-CG 4.14Å; Y205-L413 HydrophobicContact CE1-CB 3.86Å; Y205-L413 HydrophobicContact CG-CD1 4Å; Y205-L413 HydrophobicContact CG-CD2 4.27Å; V387-L413 HydrophobicContact CG1-CB 4.2Å; V387-L413 HydrophobicContact CG1-CD2 4.34Å; V387-L413 HydrophobicContact CG1-CG 4.33Å; V387-L413 HydrophobicContact CG2-CD2 3.55Å; V387-L413 HydrophobicContact CG2-CG 3.85Å; D409-L413 VanDerWaalsContact O-CB 3.31Å; D409-L413 WeakPolarHBondContact O-CB 3.25Å; D409-L413 PolarHBondContact O-N 3.02Å; L411-L413 VanDerWaalsContact C-N 3.28Å; L411-L413 PolarHBondContact O-N 2.84Å; L413-L415 PolarHBondContact O-N 2.94Å; L413-T416 WeakPolarHBondContact O-CB 3.45Å; L413-T416 PolarHBondContact O-N 3.26Å; L413-I417 HydrophobicContact CG-CD1 4.48Å; L413-I417 WeakPolarHBondContact O-CG1 3.38Å; L413-I417 PolarHBondContact O-N 2.72Å
414	Y	96.3	Very high	92.7	Very high	29 Å²	29	34 Å²	34	11%	0.114	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-47.7	179.2	-170.4	-76.1	0	0	0	111.1	L384 V387 S410 L411 T416 I417 N418 N421 Y424	L384-Y414 HydrophobicContact CB-CE2 4.27Å; L384-Y414 HydrophobicContact CD2-CD1 4.25Å; L384-Y414 HydrophobicContact CD2-CD2 3.89Å; L384-Y414 HydrophobicContact CD2-CE1 4.11Å; L384-Y414 HydrophobicContact CD2-CE2 3.71Å; L384-Y414 HydrophobicContact CD2-CG 4.18Å; V387-Y414 HydrophobicContact CB-CD2 4.43Å; V387-Y414 HydrophobicContact CG1-CD2 4.26Å; S410-Y414 VanDerWaalsContact O-CB 3.28Å; S410-Y414 WeakPolarHBondContact O-CB 3.28Å; S410-Y414 PolarHBondContact O-N 3.37Å; L411-Y414 PolarHBondContact O-N 3.36Å; Y414-T416 PolarHBondContact O-N 3.33Å; Y414-I417 PolarHBondContact O-N 3.16Å; Y414-N418 HydrophobicContact CD1-CB 4.41Å; Y414-N418 HydrophobicContact CE1-CB 4.04Å; Y414-N418 PolarHBondContact O-N 3.1Å; Y414-N421 HydrophobicContact CE1-CB 4.12Å; Y414-Y424 AromaticContact CD1-CD2 3.38Å; Y414-Y424 HydrophobicContact CD1-CD2 3.38Å; Y414-Y424 AromaticContact CD1-CE2 3.91Å; Y414-Y424 HydrophobicContact CD1-CE2 3.91Å; Y414-Y424 HydrophobicContact CD2-CD2 4.09Å; Y414-Y424 AromaticContact CD2-CE2 3.8Å; Y414-Y424 HydrophobicContact CD2-CE2 3.8Å; Y414-Y424 AromaticContact CE1-CD2 3.38Å; Y414-Y424 HydrophobicContact CE1-CD2 3.38Å; Y414-Y424 AromaticContact CE1-CE2 3.67Å; Y414-Y424 HydrophobicContact CE1-CE2 3.67Å; Y414-Y424 HydrophobicContact CE1-CG 4.48Å; Y414-Y424 HydrophobicContact CE2-CD2 4.11Å; Y414-Y424 AromaticContact CE2-CE2 3.58Å; Y414-Y424 HydrophobicContact CE2-CE2 3.58Å; Y414-Y424 AromaticContact CG-CD2 3.73Å; Y414-Y424 HydrophobicContact CG-CD2 3.73Å; Y414-Y424 AromaticContact CG-CE2 3.94Å; Y414-Y424 HydrophobicContact CG-CE2 3.94Å; Y414-Y424 AromaticContact CZ-CD2 3.74Å; Y414-Y424 AromaticContact CZ-CE2 3.48Å; Y414-Y424 VanDerWaalsContact CZ-CE2 3.48Å
415	L	94.9	Very high	93.2	Very high	15 Å²	15	31.1 Å²	31.1	8%	0.079	16%	0.162	C	C	.	.	H	α-helix	trans	-72.4	-16.8	-179.8	-68.1	167.9	0	0	0	112.5	L411 L413 P419 N421 L425 Q428	L411-L415 WeakPolarHBondContact O-CB 3.42Å; L411-L415 WeakPolarHBondContact O-CG 3.38Å; L411-L415 PolarHBondContact O-N 2.79Å; L413-L415 PolarHBondContact O-N 2.94Å; L415-P419 WeakPolarHBondContact O-CA 3.42Å; L415-P419 WeakPolarHBondContact O-CB 3.39Å; L415-N421 HydrophobicContact CD2-CB 4.23Å; L415-L425 HydrophobicContact CD1-CD2 4.09Å; L415-L425 HydrophobicContact CD2-CD2 3.92Å; L415-L425 HydrophobicContact CD2-CG 3.84Å; L415-Q428 HydrophobicContact CD1-CB 3.91Å; L415-Q428 VanDerWaalsContact CD1-CD 3.47Å; L415-Q428 HydrophobicContact CD1-CG 4.24Å; L415-Q428 VanDerWaalsContact CD1-OE1 3.23Å
416	T	93.6	Very high	93.5	Very high	40 Å²	40	30.2 Å²	30.2	25%	0.245	16%	0.158	C	C	.	.	H	α-helix	trans	-71.6	-35.5	166.8	-60.9	0	0	0	0	111.5	L179 L182 K183 D412 L413 Y414	L179-T416 HydrophobicContact CD2-CG2 4.01Å; L182-T416 HydrophobicContact CD2-CG2 4.31Å; K183-T416 HydrophobicContact CG-CG2 4.42Å; D412-T416 WeakPolarHBondContact O-CB 3.45Å; D412-T416 PolarHBondContact O-N 2.7Å; D412-T416 PolarHBondContact O-OG1 3.11Å; L413-T416 WeakPolarHBondContact O-CB 3.45Å; L413-T416 PolarHBondContact O-N 3.26Å; Y414-T416 PolarHBondContact O-N 3.33Å
417	I	94.8	Very high	93.7	Very high	21 Å²	21	31.4 Å²	31.4	11%	0.108	16%	0.164	C	C	.	.	H	α-helix	trans	-82.6	-38.5	179.8	-56.4	164.2	0	0	0	111.1	L182 L186 T380 L383 L384 V387 L413 Y414	L182-I417 HydrophobicContact CD2-CG1 4.1Å; L186-I417 HydrophobicContact CD1-CB 4.46Å; L186-I417 HydrophobicContact CD1-CG1 4.11Å; L186-I417 HydrophobicContact CD1-CG2 4.37Å; L186-I417 HydrophobicContact CD2-CG2 4.48Å; T380-I417 HydrophobicContact CG2-CG2 3.59Å; L383-I417 HydrophobicContact CB-CD1 4.08Å; L384-I417 HydrophobicContact CD1-CG2 4.33Å; L384-I417 HydrophobicContact CD2-CB 3.74Å; L384-I417 HydrophobicContact CD2-CD1 4.46Å; L384-I417 HydrophobicContact CD2-CG2 3.59Å; L384-I417 HydrophobicContact CG-CB 4.43Å; L384-I417 HydrophobicContact CG-CG2 3.74Å; V387-I417 HydrophobicContact CG2-CD1 4.17Å; L413-I417 HydrophobicContact CG-CD1 4.48Å; L413-I417 WeakPolarHBondContact O-CG1 3.38Å; L413-I417 PolarHBondContact O-N 2.72Å; Y414-I417 PolarHBondContact O-N 3.16Å
418	N	95.1	Very high	93.7	Very high	56 Å²	56	31.3 Å²	31.3	30%	0.299	16%	0.163	S	C	.	.	S	Bend	trans	-133.7	82.7	-179.7	-175.5	5.1	0	0	0	110.6	L384 Y414 D420	L384-N418 HydrophobicContact CD1-CB 4.37Å; L384-N418 HydrophobicContact CD2-CB 3.89Å; Y414-N418 HydrophobicContact CD1-CB 4.41Å; Y414-N418 HydrophobicContact CE1-CB 4.04Å; Y414-N418 PolarHBondContact O-N 3.1Å; N418-D420 VanDerWaalsContact C-N 3.35Å; N418-D420 PolarHBondContact O-N 2.85Å
419	P	94.1	Very high	93.7	Very high	65 Å²	65	30.9 Å²	30.9	42%	0.422	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-26	-169	26.1	-34.8	0	0	0	114.9	L415 N421 L425	L415-P419 WeakPolarHBondContact O-CA 3.42Å; L415-P419 WeakPolarHBondContact O-CB 3.39Å; P419-N421 VanDerWaalsContact C-N 3.33Å; P419-N421 PolarHBondContact O-N 3.19Å; P419-L425 WeakPolarHBondContact O-CD1 3.47Å
420	D	94.7	Very high	93.6	Very high	85 Å²	85	36.9 Å²	36.9	46%	0.455	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	15.4	-172.4	-60.2	-36	0	0	0	113.3	N418 V422 H448 L452	N418-D420 VanDerWaalsContact C-N 3.35Å; N418-D420 PolarHBondContact O-N 2.85Å; D420-V422 PolarHBondContact O-N 2.96Å; D420-H448 IonicContact OD1-CE1 3.63Å; D420-H448 IonicContact OD1-NE2 2.94Å; D420-H448 PolarHBondContact OD1-NE2 3.41Å; D420-L452 HydrophobicContact CB-CD1 3.93Å; D420-L452 HydrophobicContact CB-CD2 4.11Å
421	N	94.8	Very high	93.3	Very high	35 Å²	35	37.4 Å²	37.4	19%	0.187	19%	0.187	C	C	.	.			trans	-74	92.2	176	-168.2	-70.4	0	0	0	111.3	Y414 L415 P419 Q423 Y424 L425	Y414-N421 HydrophobicContact CE1-CB 4.12Å; L415-N421 HydrophobicContact CD2-CB 4.23Å; P419-N421 VanDerWaalsContact C-N 3.33Å; P419-N421 PolarHBondContact O-N 3.19Å; N421-Q423 VanDerWaalsContact C-N 3.27Å; N421-Q423 PolarHBondContact O-N 3.47Å; N421-Q423 PolarHBondContact OD1-N 2.78Å; N421-Y424 PolarHBondContact O-N 3.33Å; N421-Y424 VanDerWaalsContact O-N 3.09Å; N421-Y424 PolarHBondContact OD1-N 2.83Å; N421-L425 WeakPolarHBondContact O-CG 2.97Å; N421-L425 PolarHBondContact O-N 3.03Å
422	V	92.8	Very high	93	Very high	32 Å²	32	37.4 Å²	37.4	19%	0.194	19%	0.187	C	C	.	.	H	α-helix	trans	-51.9	-42	-177.9	176	0	0	0	0	113.1	D420 Y424 L425 L426 I449 L452 D453 Q456	D420-V422 PolarHBondContact O-N 2.96Å; V422-Y424 VanDerWaalsContact C-N 3.34Å; V422-Y424 PolarHBondContact O-N 3.07Å; V422-L425 PolarHBondContact O-N 2.92Å; V422-L426 WeakPolarHBondContact O-CB 3.41Å; V422-L426 PolarHBondContact O-N 3.5Å; V422-I449 HydrophobicContact CG1-CG2 4.09Å; V422-L452 HydrophobicContact CG2-CB 3.8Å; V422-L452 HydrophobicContact CG2-CD1 4.02Å; V422-D453 HydrophobicContact CG1-CB 4.29Å; V422-D453 HydrophobicContact CG2-CB 4.21Å; V422-Q456 HydrophobicContact CG1-CG 4.29Å
423	Q	92.2	Very high	92.6	Very high	138 Å²	138	39.7 Å²	39.7	65%	0.645	20%	0.196	S	C	*	.	H	α-helix	trans	-61.4	-42.6	-179.2	-174.3	-176.1	3.2	0	0	111.8	N421 L427	N421-Q423 VanDerWaalsContact C-N 3.27Å; N421-Q423 PolarHBondContact O-N 3.47Å; N421-Q423 PolarHBondContact OD1-N 2.78Å; Q423-L427 PolarHBondContact O-N 2.8Å
424	Y	94.7	Very high	92	Very high	30 Å²	30	45.5 Å²	45.5	12%	0.118	22%	0.223	C	C	.	.	H	α-helix	trans	-83.5	-29.4	-179.1	-72.9	-0.8	0	0	0	113.2	L391 L411 Y414 N421 V422 L426 L427 Q428	L391-Y424 HydrophobicContact CD1-CD2 3.85Å; L391-Y424 HydrophobicContact CD1-CE2 3.61Å; L391-Y424 HydrophobicContact CD1-CG 4.42Å; L391-Y424 HydrophobicContact CD2-CE1 4.4Å; L411-Y424 HydrophobicContact CD2-CG 4.19Å; Y414-Y424 AromaticContact CD1-CD2 3.38Å; Y414-Y424 HydrophobicContact CD1-CD2 3.38Å; Y414-Y424 AromaticContact CD1-CE2 3.91Å; Y414-Y424 HydrophobicContact CD1-CE2 3.91Å; Y414-Y424 HydrophobicContact CD2-CD2 4.09Å; Y414-Y424 AromaticContact CD2-CE2 3.8Å; Y414-Y424 HydrophobicContact CD2-CE2 3.8Å; Y414-Y424 AromaticContact CE1-CD2 3.38Å; Y414-Y424 HydrophobicContact CE1-CD2 3.38Å; Y414-Y424 AromaticContact CE1-CE2 3.67Å; Y414-Y424 HydrophobicContact CE1-CE2 3.67Å; Y414-Y424 HydrophobicContact CE1-CG 4.48Å; Y414-Y424 HydrophobicContact CE2-CD2 4.11Å; Y414-Y424 AromaticContact CE2-CE2 3.58Å; Y414-Y424 HydrophobicContact CE2-CE2 3.58Å; Y414-Y424 AromaticContact CG-CD2 3.73Å; Y414-Y424 HydrophobicContact CG-CD2 3.73Å; Y414-Y424 AromaticContact CG-CE2 3.94Å; Y414-Y424 HydrophobicContact CG-CE2 3.94Å; Y414-Y424 AromaticContact CZ-CD2 3.74Å; Y414-Y424 AromaticContact CZ-CE2 3.48Å; Y414-Y424 VanDerWaalsContact CZ-CE2 3.48Å; N421-Y424 PolarHBondContact O-N 3.33Å; N421-Y424 VanDerWaalsContact O-N 3.09Å; N421-Y424 PolarHBondContact OD1-N 2.83Å; V422-Y424 VanDerWaalsContact C-N 3.34Å; V422-Y424 PolarHBondContact O-N 3.07Å; Y424-L426 VanDerWaalsContact C-N 3.33Å; Y424-L427 PolarHBondContact O-N 2.9Å; Y424-Q428 WeakPolarHBondContact O-CB 3.45Å; Y424-Q428 PolarHBondContact O-N 3.27Å
425	L	94.7	Very high	91.2	Very high	11 Å²	11	46.7 Å²	46.7	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-57.9	-47.9	166.8	-72.5	168.6	0	0	0	110.6	L415 P419 N421 V422 L427 Q428 A429 I445 I449 L452	L415-L425 HydrophobicContact CD1-CD2 4.09Å; L415-L425 HydrophobicContact CD2-CD2 3.92Å; L415-L425 HydrophobicContact CD2-CG 3.84Å; P419-L425 WeakPolarHBondContact O-CD1 3.47Å; N421-L425 WeakPolarHBondContact O-CG 2.97Å; N421-L425 PolarHBondContact O-N 3.03Å; V422-L425 PolarHBondContact O-N 2.92Å; L425-L427 VanDerWaalsContact C-N 3.31Å; L425-L427 PolarHBondContact O-N 3.22Å; L425-Q428 PolarHBondContact O-N 2.98Å; L425-A429 PolarHBondContact O-N 3.47Å; L425-I445 HydrophobicContact CB-CG2 4.01Å; L425-I445 HydrophobicContact CD2-CG2 4.1Å; L425-I445 WeakPolarHBondContact O-CG2 3.38Å; L425-I449 HydrophobicContact CB-CD1 3.79Å; L425-I449 HydrophobicContact CB-CG1 3.68Å; L425-I449 HydrophobicContact CD1-CG1 4.14Å; L425-L452 HydrophobicContact CD1-CD1 3.79Å
426	L	92.4	Very high	90.2	Very high	17 Å²	17	46.9 Å²	46.9	9%	0.089	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-38.4	178.5	-173.6	62.9	0	0	0	111.8	V422 Y424 R430 I449 L463	V422-L426 WeakPolarHBondContact O-CB 3.41Å; V422-L426 PolarHBondContact O-N 3.5Å; Y424-L426 VanDerWaalsContact C-N 3.33Å; L426-R430 WeakPolarHBondContact O-CB 3.44Å; L426-R430 VanDerWaalsContact O-CG 3.26Å; L426-R430 WeakPolarHBondContact O-CG 3.1Å; L426-R430 PolarHBondContact O-N 3.41Å; L426-I449 HydrophobicContact CB-CD1 4.11Å; L426-I449 HydrophobicContact CD1-CD1 4.29Å; L426-L463 HydrophobicContact CD1-CD1 4.22Å
427	L	92.7	Very high	89.4	Confident	44 Å²	44	45.2 Å²	45.2	23%	0.23	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-40.7	174.6	-178.9	59.3	0	0	0	112.2	L411 Q423 Y424 L425 R430 L431	L411-L427 HydrophobicContact CD1-CD2 4.26Å; L411-L427 HydrophobicContact CD1-CG 4.03Å; L411-L427 HydrophobicContact CD2-CB 4.47Å; L411-L427 HydrophobicContact CD2-CD2 4.06Å; L411-L427 HydrophobicContact CD2-CG 4.32Å; Q423-L427 PolarHBondContact O-N 2.8Å; Y424-L427 PolarHBondContact O-N 2.9Å; L425-L427 VanDerWaalsContact C-N 3.31Å; L425-L427 PolarHBondContact O-N 3.22Å; L427-R430 PolarHBondContact O-N 3.49Å; L427-L431 VanDerWaalsContact O-CB 3.32Å; L427-L431 WeakPolarHBondContact O-CB 3.2Å; L427-L431 PolarHBondContact O-N 2.95Å
428	Q	92.7	Very high	88.4	Confident	12 Å²	12	45.9 Å²	45.9	6%	0.056	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-47.2	176	-172.1	-173.3	46	0	0	111	D412 L415 Y424 L425 R430 L431 Y432 I445	D412-Q428 PolarHBondContact OD1-NE2 2.91Å; L415-Q428 HydrophobicContact CD1-CB 3.91Å; L415-Q428 VanDerWaalsContact CD1-CD 3.47Å; L415-Q428 HydrophobicContact CD1-CG 4.24Å; L415-Q428 VanDerWaalsContact CD1-OE1 3.23Å; Y424-Q428 WeakPolarHBondContact O-CB 3.45Å; Y424-Q428 PolarHBondContact O-N 3.27Å; L425-Q428 PolarHBondContact O-N 2.98Å; Q428-R430 PolarHBondContact O-N 3.49Å; Q428-L431 PolarHBondContact O-N 2.78Å; Q428-Y432 HydrophobicContact CG-CD1 4.32Å; Q428-Y432 HydrophobicContact CG-CD2 4.25Å; Q428-Y432 HydrophobicContact CG-CE1 3.76Å; Q428-Y432 HydrophobicContact CG-CE2 3.71Å; Q428-Y432 VanDerWaalsContact CG-CZ 3.46Å; Q428-Y432 PolarHBondContact NE2-OH 3.06Å; Q428-Y432 VanDerWaalsContact NE2-OH 3.12Å; Q428-Y432 WeakPolarHBondContact O-CB 3.5Å; Q428-Y432 WeakPolarHBondContact O-CD1 3.39Å; Q428-Y432 PolarHBondContact O-N 3.31Å; Q428-I445 HydrophobicContact CG-CD1 4.06Å
429	A	91.4	Very high	87.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-46.2	175.9	0	0	0	0	0	111.9	L425 Y432 F433 V442 I445 L446	L425-A429 PolarHBondContact O-N 3.47Å; A429-Y432 PolarHBondContact O-N 2.63Å; A429-F433 VanDerWaalsContact O-CB 3.24Å; A429-F433 WeakPolarHBondContact O-CB 3.2Å; A429-F433 PolarHBondContact O-N 3.36Å; A429-V442 HydrophobicContact CB-CG1 4.41Å; A429-I445 HydrophobicContact CB-CB 4.48Å; A429-I445 HydrophobicContact CB-CG2 3.91Å; A429-L446 HydrophobicContact CB-CD2 3.92Å; A429-L446 HydrophobicContact CB-CG 4.24Å
430	R	89.8	Confident	87.3	Confident	128 Å²	128	44.2 Å²	44.2	48%	0.483	21%	0.213	S	C	.	.	H	α-helix	trans	-62.5	-42.5	176.3	-74.4	173.5	-178.3	179.6	1.7	112.5	L426 L427 Q428 H434 L463	L426-R430 WeakPolarHBondContact O-CB 3.44Å; L426-R430 VanDerWaalsContact O-CG 3.26Å; L426-R430 WeakPolarHBondContact O-CG 3.1Å; L426-R430 PolarHBondContact O-N 3.41Å; L427-R430 PolarHBondContact O-N 3.49Å; Q428-R430 PolarHBondContact O-N 3.49Å; R430-H434 WeakPolarHBondContact O-CB 3.49Å; R430-H434 PolarHBondContact O-N 3.14Å; R430-L463 HydrophobicContact CG-CD1 4.01Å
431	L	88.1	Confident	86.9	Confident	10 Å²	10	43.6 Å²	43.6	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-47.7	177.8	176.9	62.9	0	0	0	110.9	Y404 L407 R408 L411 L427 Q428 H434 L435	Y404-L431 HydrophobicContact CD1-CD1 3.59Å; Y404-L431 HydrophobicContact CE1-CD1 4.04Å; L407-L431 HydrophobicContact CD2-CD1 4.29Å; L407-L431 HydrophobicContact CD2-CD2 4.21Å; L407-L431 HydrophobicContact CG-CD2 4.01Å; R408-L431 HydrophobicContact CB-CD2 4Å; L411-L431 HydrophobicContact CD1-CD2 3.84Å; L427-L431 VanDerWaalsContact O-CB 3.32Å; L427-L431 WeakPolarHBondContact O-CB 3.2Å; L427-L431 PolarHBondContact O-N 2.95Å; Q428-L431 PolarHBondContact O-N 2.78Å; L431-H434 PolarHBondContact O-N 2.89Å; L431-L435 HydrophobicContact CD1-CD1 3.79Å; L431-L435 HydrophobicContact CD1-CG 4.05Å; L431-L435 HydrophobicContact CG-CD1 3.97Å; L431-L435 WeakPolarHBondContact O-CB 3.23Å; L431-L435 VanDerWaalsContact O-CG 3.27Å; L431-L435 WeakPolarHBondContact O-CG 3.42Å; L431-L435 PolarHBondContact O-N 2.68Å
432	Y	86.8	Confident	86.5	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-43.5	-179.9	-71.7	2.4	0	0	0	111.9	R408 D412 Q428 A429 L435 G436 I437 W438 K441 V442 I445	R408-Y432 HydrophobicContact CG-CE1 3.98Å; D412-Y432 PolarHBondContact OD1-OH 3.31Å; D412-Y432 PolarHBondContact OD2-OH 3.07Å; Q428-Y432 HydrophobicContact CG-CD1 4.32Å; Q428-Y432 HydrophobicContact CG-CD2 4.25Å; Q428-Y432 HydrophobicContact CG-CE1 3.76Å; Q428-Y432 HydrophobicContact CG-CE2 3.71Å; Q428-Y432 VanDerWaalsContact CG-CZ 3.46Å; Q428-Y432 PolarHBondContact NE2-OH 3.06Å; Q428-Y432 VanDerWaalsContact NE2-OH 3.12Å; Q428-Y432 WeakPolarHBondContact O-CB 3.5Å; Q428-Y432 WeakPolarHBondContact O-CD1 3.39Å; Q428-Y432 PolarHBondContact O-N 3.31Å; A429-Y432 PolarHBondContact O-N 2.63Å; Y432-L435 PolarHBondContact O-N 3.14Å; Y432-G436 PolarHBondContact O-N 2.86Å; Y432-I437 HydrophobicContact CD1-CD1 3.88Å; Y432-I437 HydrophobicContact CD1-CG1 4.1Å; Y432-I437 HydrophobicContact CE1-CD1 4.4Å; Y432-I437 HydrophobicContact CG-CD1 4.37Å; Y432-I437 HydrophobicContact CG-CG1 4.09Å; Y432-I437 PolarHBondContact O-N 2.86Å; Y432-W438 AromaticContact CD1-CE3 3.91Å; Y432-W438 HydrophobicContact CD1-CE3 3.91Å; Y432-W438 HydrophobicContact CD1-CZ3 4.06Å; Y432-W438 HydrophobicContact CD2-CB 4.44Å; Y432-W438 AromaticContact CD2-CE3 3.68Å; Y432-W438 HydrophobicContact CD2-CE3 3.68Å; Y432-W438 HydrophobicContact CD2-CZ3 4.37Å; Y432-W438 AromaticContact CE1-CE3 3.66Å; Y432-W438 HydrophobicContact CE1-CE3 3.66Å; Y432-W438 AromaticContact CE1-CZ3 3.4Å; Y432-W438 HydrophobicContact CE1-CZ3 3.4Å; Y432-W438 VanDerWaalsContact CE1-CZ3 3.4Å; Y432-W438 HydrophobicContact CE2-CD2 4.4Å; Y432-W438 AromaticContact CE2-CE3 3.4Å; Y432-W438 HydrophobicContact CE2-CE3 3.4Å; Y432-W438 VanDerWaalsContact CE2-CE3 3.4Å; Y432-W438 AromaticContact CE2-CZ3 3.75Å; Y432-W438 HydrophobicContact CE2-CZ3 3.75Å; Y432-W438 AromaticContact CG-CE3 3.91Å; Y432-W438 HydrophobicContact CG-CE3 3.91Å; Y432-W438 HydrophobicContact CG-CZ3 4.49Å; Y432-W438 AromaticContact CZ-CE3 3.36Å; Y432-W438 AromaticContact CZ-CZ3 3.18Å; Y432-W438 WeakPolarHBondContact OH-CZ3 3.11Å; Y432-K441 HydrophobicContact CD2-CD 4.44Å; Y432-K441 HydrophobicContact CE2-CD 3.67Å; Y432-K441 HydrophobicContact CE2-CG 4.22Å; Y432-K441 PolarHBondContact OH-NZ 3.44Å; Y432-V442 HydrophobicContact CD2-CG2 4.11Å; Y432-V442 HydrophobicContact CG-CG2 4.3Å; Y432-I445 HydrophobicContact CD2-CD1 4.05Å; Y432-I445 HydrophobicContact CE2-CD1 3.89Å
433	F	83.8	Confident	86.4	Confident	65 Å²	65	41.8 Å²	41.8	29%	0.285	20%	0.196	S	C	.	.	H	α-helix	trans	-58.4	-48.9	173.3	178.9	-96.2	0	0	0	111.5	A429 L435 G436 L463 H466 T467	A429-F433 VanDerWaalsContact O-CB 3.24Å; A429-F433 WeakPolarHBondContact O-CB 3.2Å; A429-F433 PolarHBondContact O-N 3.36Å; F433-L435 VanDerWaalsContact C-N 3.34Å; F433-L435 PolarHBondContact O-N 3.3Å; F433-G436 PolarHBondContact O-N 2.91Å; F433-L463 HydrophobicContact CD1-CD2 4.13Å; F433-L463 HydrophobicContact CG-CD2 4.23Å; F433-H466 HydrophobicContact CE2-CB 3.69Å; F433-H466 HydrophobicContact CZ-CB 3.63Å; F433-T467 WeakPolarHBondContact CD2-OG1 3.17Å
434	H	82.6	Confident	86.3	Confident	122 Å²	122	40 Å²	40	57%	0.565	19%	0.19	S	C	*	.	H	α-helix	trans	-61.1	-40.1	179	178.4	70.2	0	0	0	112.8	Y404 R430 L431 G436	Y404-H434 AromaticContact CZ-NE2 4Å; Y404-H434 PolarHBondContact OH-NE2 3.4Å; R430-H434 WeakPolarHBondContact O-CB 3.49Å; R430-H434 PolarHBondContact O-N 3.14Å; L431-H434 PolarHBondContact O-N 2.89Å; H434-G436 PolarHBondContact O-N 2.98Å
435	L	78	Confident	86.2	Confident	54 Å²	54	39.1 Å²	39.1	28%	0.283	19%	0.187	S	C	.	.	H	α-helix	trans	-76.5	-10.6	176.2	-64	176.2	0	0	0	112.6	Y404 L431 Y432 F433 I437	Y404-L435 HydrophobicContact CD1-CD2 4.46Å; Y404-L435 HydrophobicContact CD2-CD2 4.44Å; Y404-L435 HydrophobicContact CG-CD2 4.23Å; L431-L435 HydrophobicContact CD1-CD1 3.79Å; L431-L435 HydrophobicContact CD1-CG 4.05Å; L431-L435 HydrophobicContact CG-CD1 3.97Å; L431-L435 WeakPolarHBondContact O-CB 3.23Å; L431-L435 VanDerWaalsContact O-CG 3.27Å; L431-L435 WeakPolarHBondContact O-CG 3.42Å; L431-L435 PolarHBondContact O-N 2.68Å; Y432-L435 PolarHBondContact O-N 3.14Å; F433-L435 VanDerWaalsContact C-N 3.34Å; F433-L435 PolarHBondContact O-N 3.3Å; L435-I437 HydrophobicContact CB-CD1 4.2Å; L435-I437 HydrophobicContact CB-CG1 4.12Å; L435-I437 HydrophobicContact CB-CG2 3.71Å; L435-I437 HydrophobicContact CD1-CD1 4.01Å; L435-I437 VanDerWaalsContact O-CG2 3.25Å; L435-I437 WeakPolarHBondContact O-CG2 3.4Å
436	G	73.9	Confident	86.1	Confident	19 Å²	19	38.6 Å²	38.6	20%	0.196	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	28.6	-177.8	0	0	0	0	0	114.4	Y432 F433 H434 K474	Y432-G436 PolarHBondContact O-N 2.86Å; F433-G436 PolarHBondContact O-N 2.91Å; H434-G436 PolarHBondContact O-N 2.98Å; G436-K474 PolarHBondContact O-NZ 3.23Å
437	I	76.8	Confident	86	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.031	21%	0.206	C	C	.	.			trans	-115.9	147.4	-168.5	75.3	176.1	0	0	0	111.3	C122 Y432 L435	C122-I437 HydrophobicContact CB-CB 4.08Å; C122-I437 HydrophobicContact CB-CD1 4.06Å; C122-I437 HydrophobicContact CB-CG2 3.45Å; C122-I437 VanDerWaalsContact CB-CG2 3.45Å; C122-I437 VanDerWaalsContact SG-CB 3.54Å; C122-I437 WeakPolarHBondContact SG-CG2 3.42Å; Y432-I437 HydrophobicContact CD1-CD1 3.88Å; Y432-I437 HydrophobicContact CD1-CG1 4.1Å; Y432-I437 HydrophobicContact CE1-CD1 4.4Å; Y432-I437 HydrophobicContact CG-CD1 4.37Å; Y432-I437 HydrophobicContact CG-CG1 4.09Å; Y432-I437 PolarHBondContact O-N 2.86Å; L435-I437 HydrophobicContact CB-CD1 4.2Å; L435-I437 HydrophobicContact CB-CG1 4.12Å; L435-I437 HydrophobicContact CB-CG2 3.71Å; L435-I437 HydrophobicContact CD1-CD1 4.01Å; L435-I437 VanDerWaalsContact O-CG2 3.25Å; L435-I437 WeakPolarHBondContact O-CG2 3.4Å
438	W	74.8	Confident	86.1	Confident	34 Å²	34	44.7 Å²	44.7	13%	0.129	21%	0.212	C	C	.	.			trans	46	57.2	175.3	-61.1	-57.4	0	0	0	115.5	Q125 Y432 E440 K441 V442	Q125-W438 VanDerWaalsContact N-CD1 3.3Å; Y432-W438 AromaticContact CD1-CE3 3.91Å; Y432-W438 HydrophobicContact CD1-CE3 3.91Å; Y432-W438 HydrophobicContact CD1-CZ3 4.06Å; Y432-W438 HydrophobicContact CD2-CB 4.44Å; Y432-W438 AromaticContact CD2-CE3 3.68Å; Y432-W438 HydrophobicContact CD2-CE3 3.68Å; Y432-W438 HydrophobicContact CD2-CZ3 4.37Å; Y432-W438 AromaticContact CE1-CE3 3.66Å; Y432-W438 HydrophobicContact CE1-CE3 3.66Å; Y432-W438 AromaticContact CE1-CZ3 3.4Å; Y432-W438 HydrophobicContact CE1-CZ3 3.4Å; Y432-W438 VanDerWaalsContact CE1-CZ3 3.4Å; Y432-W438 HydrophobicContact CE2-CD2 4.4Å; Y432-W438 AromaticContact CE2-CE3 3.4Å; Y432-W438 HydrophobicContact CE2-CE3 3.4Å; Y432-W438 VanDerWaalsContact CE2-CE3 3.4Å; Y432-W438 AromaticContact CE2-CZ3 3.75Å; Y432-W438 HydrophobicContact CE2-CZ3 3.75Å; Y432-W438 AromaticContact CG-CE3 3.91Å; Y432-W438 HydrophobicContact CG-CE3 3.91Å; Y432-W438 HydrophobicContact CG-CZ3 4.49Å; Y432-W438 AromaticContact CZ-CE3 3.36Å; Y432-W438 AromaticContact CZ-CZ3 3.18Å; Y432-W438 WeakPolarHBondContact OH-CZ3 3.11Å; W438-E440 PolarHBondContact O-N 3.48Å; W438-K441 HydrophobicContact CB-CB 3.71Å; W438-K441 HydrophobicContact CB-CD 4.48Å; W438-K441 HydrophobicContact CD2-CD 4.34Å; W438-K441 HydrophobicContact CE3-CD 4.41Å; W438-K441 HydrophobicContact CG-CB 4.42Å; W438-K441 HydrophobicContact CG-CD 4.46Å; W438-K441 PolarHBondContact O-N 3.25Å; W438-K441 VanDerWaalsContact O-N 3.1Å; W438-V442 WeakPolarHBondContact O-CG2 3.12Å; W438-V442 PolarHBondContact O-N 3.21Å
439	P	81.2	Confident	86.1	Confident	9 Å²	9	44.1 Å²	44.1	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-62.3	-32	-175.2	29.3	-35.1	0	0	0	112.3	V442 L443 T467 I471	P439-V442 WeakPolarHBondContact O-CB 3.44Å; P439-V442 PolarHBondContact O-N 3.05Å; P439-L443 WeakPolarHBondContact O-CG 3.07Å; P439-L443 PolarHBondContact O-N 2.89Å; P439-L443 VanDerWaalsContact O-N 3.08Å; P439-T467 HydrophobicContact CB-CG2 3.67Å; P439-T467 VanDerWaalsContact O-CG2 3.29Å; P439-T467 WeakPolarHBondContact O-CG2 3.27Å; P439-I471 HydrophobicContact CB-CD1 3.85Å; P439-I471 HydrophobicContact CB-CG1 3.5Å; P439-I471 VanDerWaalsContact CB-CG1 3.5Å; P439-I471 HydrophobicContact CG-CD1 4.24Å; P439-I471 HydrophobicContact CG-CG1 3.66Å
440	E	84.3	Confident	86	Confident	78 Å²	78	47.1 Å²	47.1	36%	0.364	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-46.3	173.2	-61.7	81.7	178	0	0	111.8	Q125 W438 V442 L443 D444	Q125-E440 VanDerWaalsContact NE2-CD 3.28Å; Q125-E440 PolarHBondContact NE2-OE2 2.92Å; Q125-E440 PolarHBondContact OE1-OE2 3.34Å; Q125-E440 VanDerWaalsContact OE1-OE2 3.12Å; W438-E440 PolarHBondContact O-N 3.48Å; E440-V442 PolarHBondContact O-N 2.88Å; E440-L443 WeakPolarHBondContact O-CA 3.45Å; E440-L443 WeakPolarHBondContact O-CB 3.42Å; E440-L443 PolarHBondContact O-N 3.14Å; E440-D444 PolarHBondContact O-N 3.45Å
441	K	85.7	Confident	86.1	Confident	72 Å²	72	44.9 Å²	44.9	31%	0.313	23%	0.232	S	C	.	.	H	α-helix	trans	-62	-34.7	175.5	-167.9	177.4	173.7	-168.3	0	111.7	Y432 W438 L443 D444 I445	Y432-K441 HydrophobicContact CD2-CD 4.44Å; Y432-K441 HydrophobicContact CE2-CD 3.67Å; Y432-K441 HydrophobicContact CE2-CG 4.22Å; Y432-K441 PolarHBondContact OH-NZ 3.44Å; W438-K441 HydrophobicContact CB-CB 3.71Å; W438-K441 HydrophobicContact CB-CD 4.48Å; W438-K441 HydrophobicContact CD2-CD 4.34Å; W438-K441 HydrophobicContact CE3-CD 4.41Å; W438-K441 HydrophobicContact CG-CB 4.42Å; W438-K441 HydrophobicContact CG-CD 4.46Å; W438-K441 PolarHBondContact O-N 3.25Å; W438-K441 VanDerWaalsContact O-N 3.1Å; K441-L443 VanDerWaalsContact C-N 3.33Å; K441-D444 PolarHBondContact O-N 3.19Å; K441-I445 HydrophobicContact CG-CD1 4.08Å; K441-I445 HydrophobicContact CG-CG1 4.5Å; K441-I445 WeakPolarHBondContact O-CB 3.26Å; K441-I445 WeakPolarHBondContact O-CD1 3.29Å; K441-I445 WeakPolarHBondContact O-CG1 3.35Å; K441-I445 PolarHBondContact O-N 3.15Å
442	V	88.4	Confident	86.3	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-46.2	172.8	171	0	0	0	0	109.9	A429 Y432 W438 P439 E440 D444 I445 L446 T467	A429-V442 HydrophobicContact CB-CG1 4.41Å; Y432-V442 HydrophobicContact CD2-CG2 4.11Å; Y432-V442 HydrophobicContact CG-CG2 4.3Å; W438-V442 WeakPolarHBondContact O-CG2 3.12Å; W438-V442 PolarHBondContact O-N 3.21Å; P439-V442 WeakPolarHBondContact O-CB 3.44Å; P439-V442 PolarHBondContact O-N 3.05Å; E440-V442 PolarHBondContact O-N 2.88Å; V442-D444 PolarHBondContact O-N 3.08Å; V442-I445 PolarHBondContact O-N 3.39Å; V442-L446 HydrophobicContact CG1-CD1 3.68Å; V442-L446 HydrophobicContact CG1-CG 4.22Å; V442-L446 WeakPolarHBondContact O-CB 3.31Å; V442-L446 WeakPolarHBondContact O-CG 3.46Å; V442-L446 PolarHBondContact O-N 3.09Å; V442-T467 HydrophobicContact CB-CG2 4.15Å; V442-T467 HydrophobicContact CG1-CG2 4.04Å
443	L	89.4	Confident	86.5	Confident	28 Å²	28	50 Å²	50	15%	0.147	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-43.4	175.8	-63.9	175.7	0	0	0	111.8	P439 E440 K441 I445 L446 Q447 V464 T467 L468 I471	P439-L443 WeakPolarHBondContact O-CG 3.07Å; P439-L443 PolarHBondContact O-N 2.89Å; P439-L443 VanDerWaalsContact O-N 3.08Å; E440-L443 WeakPolarHBondContact O-CA 3.45Å; E440-L443 WeakPolarHBondContact O-CB 3.42Å; E440-L443 PolarHBondContact O-N 3.14Å; K441-L443 VanDerWaalsContact C-N 3.33Å; L443-I445 PolarHBondContact O-N 3.22Å; L443-L446 PolarHBondContact O-N 3.48Å; L443-Q447 VanDerWaalsContact O-CG 3.3Å; L443-Q447 WeakPolarHBondContact O-CG 3.33Å; L443-Q447 PolarHBondContact O-N 3.37Å; L443-V464 HydrophobicContact CD2-CB 4.33Å; L443-V464 HydrophobicContact CD2-CG1 4.01Å; L443-V464 HydrophobicContact CD2-CG2 4.26Å; L443-T467 HydrophobicContact CD2-CG2 4.01Å; L443-T467 HydrophobicContact CG-CG2 4Å; L443-L468 HydrophobicContact CD1-CD2 3.79Å; L443-L468 HydrophobicContact CD1-CG 4.47Å; L443-L468 HydrophobicContact CD2-CG 4.37Å; L443-I471 HydrophobicContact CD1-CD1 3.9Å
444	D	91.1	Very high	86.7	Confident	99 Å²	99	51.6 Å²	51.6	53%	0.529	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-45.7	177.3	-63	-22.5	0	0	0	111.7	E440 K441 V442 L446 Q447 H448	E440-D444 PolarHBondContact O-N 3.45Å; K441-D444 PolarHBondContact O-N 3.19Å; V442-D444 PolarHBondContact O-N 3.08Å; D444-L446 VanDerWaalsContact C-N 3.35Å; D444-L446 PolarHBondContact O-N 3.41Å; D444-Q447 PolarHBondContact O-N 3.21Å; D444-H448 PolarHBondContact O-N 3.43Å
445	I	92.1	Very high	86.9	Confident	12 Å²	12	50 Å²	50	6%	0.062	28%	0.278	C	S	.	.	H	α-helix	trans	-61.6	-45	176.7	-67.9	160.3	0	0	0	110.5	L425 Q428 A429 Y432 K441 V442 L443 Q447 H448 I449	L425-I445 HydrophobicContact CB-CG2 4.01Å; L425-I445 HydrophobicContact CD2-CG2 4.1Å; L425-I445 WeakPolarHBondContact O-CG2 3.38Å; Q428-I445 HydrophobicContact CG-CD1 4.06Å; A429-I445 HydrophobicContact CB-CB 4.48Å; A429-I445 HydrophobicContact CB-CG2 3.91Å; Y432-I445 HydrophobicContact CD2-CD1 4.05Å; Y432-I445 HydrophobicContact CE2-CD1 3.89Å; K441-I445 HydrophobicContact CG-CD1 4.08Å; K441-I445 HydrophobicContact CG-CG1 4.5Å; K441-I445 WeakPolarHBondContact O-CB 3.26Å; K441-I445 WeakPolarHBondContact O-CD1 3.29Å; K441-I445 WeakPolarHBondContact O-CG1 3.35Å; K441-I445 PolarHBondContact O-N 3.15Å; V442-I445 PolarHBondContact O-N 3.39Å; L443-I445 PolarHBondContact O-N 3.22Å; I445-Q447 VanDerWaalsContact C-N 3.34Å; I445-Q447 PolarHBondContact O-N 2.95Å; I445-H448 PolarHBondContact O-N 3.19Å; I445-I449 HydrophobicContact CG2-CD1 3.89Å; I445-I449 HydrophobicContact CG2-CG1 4.44Å; I445-I449 VanDerWaalsContact O-CG1 3.31Å; I445-I449 WeakPolarHBondContact O-CG1 3.3Å; I445-I449 PolarHBondContact O-N 2.93Å
446	L	92.1	Very high	87.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-38.5	-179.4	-72.9	175.6	0	0	0	111.9	A429 V442 L443 D444 I449 Q450 V460 L463 V464	A429-L446 HydrophobicContact CB-CD2 3.92Å; A429-L446 HydrophobicContact CB-CG 4.24Å; V442-L446 HydrophobicContact CG1-CD1 3.68Å; V442-L446 HydrophobicContact CG1-CG 4.22Å; V442-L446 WeakPolarHBondContact O-CB 3.31Å; V442-L446 WeakPolarHBondContact O-CG 3.46Å; V442-L446 PolarHBondContact O-N 3.09Å; L443-L446 PolarHBondContact O-N 3.48Å; D444-L446 VanDerWaalsContact C-N 3.35Å; D444-L446 PolarHBondContact O-N 3.41Å; L446-I449 HydrophobicContact CD2-CD1 4.39Å; L446-I449 PolarHBondContact O-N 2.84Å; L446-Q450 WeakPolarHBondContact O-CG 3.39Å; L446-Q450 PolarHBondContact O-N 2.89Å; L446-Q450 VanDerWaalsContact O-N 3.13Å; L446-V460 HydrophobicContact CB-CG1 3.77Å; L446-V460 HydrophobicContact CD2-CB 4.42Å; L446-V460 HydrophobicContact CD2-CG1 4.01Å; L446-V460 HydrophobicContact CD2-CG2 4.17Å; L446-V460 HydrophobicContact CG-CG1 4.33Å; L446-L463 HydrophobicContact CD1-CB 3.64Å; L446-L463 HydrophobicContact CD2-CB 4.12Å; L446-L463 HydrophobicContact CD2-CD1 3.93Å; L446-V464 HydrophobicContact CB-CG2 4.02Å; L446-V464 HydrophobicContact CD1-CG2 3.71Å; L446-V464 HydrophobicContact CG-CG2 4.48Å
447	Q	91.5	Very high	87.4	Confident	117 Å²	117	55.1 Å²	55.1	55%	0.547	30%	0.295	S	S	.	.	H	α-helix	trans	-64.5	-43.5	172.2	-72.6	174.3	7.4	0	0	111.6	L443 D444 I445 I449 Q450 A451	L443-Q447 VanDerWaalsContact O-CG 3.3Å; L443-Q447 WeakPolarHBondContact O-CG 3.33Å; L443-Q447 PolarHBondContact O-N 3.37Å; D444-Q447 PolarHBondContact O-N 3.21Å; I445-Q447 VanDerWaalsContact C-N 3.34Å; I445-Q447 PolarHBondContact O-N 2.95Å; Q447-I449 VanDerWaalsContact C-N 3.34Å; Q447-I449 PolarHBondContact O-N 2.65Å; Q447-Q450 PolarHBondContact O-N 3.42Å; Q447-A451 PolarHBondContact O-N 3.31Å; Q447-A451 VanDerWaalsContact O-N 3.12Å
448	H	93.5	Very high	87.4	Confident	73 Å²	73	57.6 Å²	57.6	34%	0.338	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-42.7	176.1	-167.4	52.7	0	0	0	111.9	D420 D444 I445 Q450 A451 L452	D420-H448 IonicContact OD1-CE1 3.63Å; D420-H448 IonicContact OD1-NE2 2.94Å; D420-H448 PolarHBondContact OD1-NE2 3.41Å; D444-H448 PolarHBondContact O-N 3.43Å; I445-H448 PolarHBondContact O-N 3.19Å; H448-Q450 VanDerWaalsContact C-N 3.33Å; H448-Q450 PolarHBondContact O-N 3.47Å; H448-A451 WeakPolarHBondContact O-CB 3.4Å; H448-A451 PolarHBondContact O-N 3.24Å; H448-A451 VanDerWaalsContact O-N 3.14Å; H448-L452 WeakPolarHBondContact NE2-CD1 3.37Å; H448-L452 WeakPolarHBondContact O-CG 3.31Å; H448-L452 PolarHBondContact O-N 3Å
449	I	92.5	Very high	87.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-43.1	175	-69.1	163.6	0	0	0	111.3	V422 L425 L426 I445 L446 Q447 A451 L452 D453 Q456 V460	V422-I449 HydrophobicContact CG1-CG2 4.09Å; L425-I449 HydrophobicContact CB-CD1 3.79Å; L425-I449 HydrophobicContact CB-CG1 3.68Å; L425-I449 HydrophobicContact CD1-CG1 4.14Å; L426-I449 HydrophobicContact CB-CD1 4.11Å; L426-I449 HydrophobicContact CD1-CD1 4.29Å; I445-I449 HydrophobicContact CG2-CD1 3.89Å; I445-I449 HydrophobicContact CG2-CG1 4.44Å; I445-I449 VanDerWaalsContact O-CG1 3.31Å; I445-I449 WeakPolarHBondContact O-CG1 3.3Å; I445-I449 PolarHBondContact O-N 2.93Å; L446-I449 HydrophobicContact CD2-CD1 4.39Å; L446-I449 PolarHBondContact O-N 2.84Å; Q447-I449 VanDerWaalsContact C-N 3.34Å; Q447-I449 PolarHBondContact O-N 2.65Å; I449-A451 VanDerWaalsContact C-N 3.26Å; I449-A451 PolarHBondContact O-N 3.04Å; I449-L452 PolarHBondContact O-N 2.9Å; I449-D453 PolarHBondContact O-N 2.87Å; I449-Q456 HydrophobicContact CG2-CB 4Å; I449-Q456 HydrophobicContact CG2-CG 4.28Å; I449-V460 HydrophobicContact CB-CG2 4.41Å; I449-V460 HydrophobicContact CG2-CG2 3.85Å
450	Q	90.4	Very high	87.6	Confident	63 Å²	63	57.5 Å²	57.5	29%	0.294	33%	0.33	S	S	.	.	H	α-helix	trans	-62.9	-33.6	177.7	-74.9	178.6	-17.9	0	0	112.6	L446 Q447 H448 V460	L446-Q450 WeakPolarHBondContact O-CG 3.39Å; L446-Q450 PolarHBondContact O-N 2.89Å; L446-Q450 VanDerWaalsContact O-N 3.13Å; Q447-Q450 PolarHBondContact O-N 3.42Å; H448-Q450 VanDerWaalsContact C-N 3.33Å; H448-Q450 PolarHBondContact O-N 3.47Å; Q450-V460 HydrophobicContact CG-CB 4.19Å; Q450-V460 HydrophobicContact CG-CG1 3.75Å; Q450-V460 HydrophobicContact CG-CG2 4.34Å; Q450-V460 VanDerWaalsContact NE2-CG1 3.32Å
451	A	91.3	Very high	87.4	Confident	81 Å²	81	55.2 Å²	55.2	67%	0.669	33%	0.327	S	S	*	.	H	α-helix	trans	-71.4	-36.3	175.7	0	0	0	0	0	112.4	Q447 H448 I449	Q447-A451 PolarHBondContact O-N 3.31Å; Q447-A451 VanDerWaalsContact O-N 3.12Å; H448-A451 WeakPolarHBondContact O-CB 3.4Å; H448-A451 PolarHBondContact O-N 3.24Å; H448-A451 VanDerWaalsContact O-N 3.14Å; I449-A451 VanDerWaalsContact C-N 3.26Å; I449-A451 PolarHBondContact O-N 3.04Å
452	L	92.6	Very high	87.2	Confident	68 Å²	68	58.5 Å²	58.5	36%	0.356	34%	0.339	S	S	.	.	H	α-helix	trans	-79.9	-42.1	-179.4	-69	175.7	0	0	0	113.8	D420 V422 L425 H448 I449	D420-L452 HydrophobicContact CB-CD1 3.93Å; D420-L452 HydrophobicContact CB-CD2 4.11Å; V422-L452 HydrophobicContact CG2-CB 3.8Å; V422-L452 HydrophobicContact CG2-CD1 4.02Å; L425-L452 HydrophobicContact CD1-CD1 3.79Å; H448-L452 WeakPolarHBondContact NE2-CD1 3.37Å; H448-L452 WeakPolarHBondContact O-CG 3.31Å; H448-L452 PolarHBondContact O-N 3Å; I449-L452 PolarHBondContact O-N 2.9Å
453	D	90.5	Very high	87.1	Confident	48 Å²	48	59 Å²	59	26%	0.257	34%	0.342	S	S	.	.			trans	-141.9	93.6	-176.7	-178.4	5.4	0	0	0	111.5	V422 I449 S455 Q456	V422-D453 HydrophobicContact CG1-CB 4.29Å; V422-D453 HydrophobicContact CG2-CB 4.21Å; I449-D453 PolarHBondContact O-N 2.87Å; D453-S455 PolarHBondContact O-N 2.89Å; D453-S455 VanDerWaalsContact OD1-CB 3.23Å; D453-S455 WeakPolarHBondContact OD1-CB 3.37Å; D453-S455 PolarHBondContact OD1-N 2.72Å; D453-S455 PolarHBondContact OD1-OG 3.26Å; D453-S455 PolarHBondContact OD2-OG 2.9Å; D453-S455 VanDerWaalsContact OD2-OG 3.05Å; D453-Q456 HydrophobicContact CB-CG 4.32Å; D453-Q456 PolarHBondContact O-N 3.41Å; D453-Q456 WeakPolarHBondContact OD2-CG 3.27Å; D453-Q456 PolarHBondContact OD2-NE2 3.42Å
454	P	87.4	Confident	86.9	Confident	99 Å²	99	59.6 Å²	59.6	64%	0.643	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-59.4	-18	177.7	-26.5	35.7	0	0	0	114.7	Q456 H457	P454-Q456 PolarHBondContact O-N 3.09Å; P454-H457 WeakPolarHBondContact O-CB 3.48Å; P454-H457 PolarHBondContact O-N 3.3Å
455	S	87.2	Confident	86.6	Confident	89 Å²	89	60.3 Å²	60.3	62%	0.622	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-67.2	-22.1	178.9	76.8	0	0	0	0	113	D453 H457	D453-S455 PolarHBondContact O-N 2.89Å; D453-S455 VanDerWaalsContact OD1-CB 3.23Å; D453-S455 WeakPolarHBondContact OD1-CB 3.37Å; D453-S455 PolarHBondContact OD1-N 2.72Å; D453-S455 PolarHBondContact OD1-OG 3.26Å; D453-S455 PolarHBondContact OD2-OG 2.9Å; D453-S455 VanDerWaalsContact OD2-OG 3.05Å; S455-H457 PolarHBondContact O-N 2.72Å
456	Q	82.6	Confident	86	Confident	58 Å²	58	62.2 Å²	62.2	27%	0.271	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-80	2.9	179.1	-59.4	-55.6	-48	0	0	113.9	V422 I449 D453 P454 G458 A459 V460	V422-Q456 HydrophobicContact CG1-CG 4.29Å; I449-Q456 HydrophobicContact CG2-CB 4Å; I449-Q456 HydrophobicContact CG2-CG 4.28Å; D453-Q456 HydrophobicContact CB-CG 4.32Å; D453-Q456 PolarHBondContact O-N 3.41Å; D453-Q456 WeakPolarHBondContact OD2-CG 3.27Å; D453-Q456 PolarHBondContact OD2-NE2 3.42Å; P454-Q456 PolarHBondContact O-N 3.09Å; Q456-G458 VanDerWaalsContact C-N 3.28Å; Q456-G458 PolarHBondContact O-N 3.47Å; Q456-G458 VanDerWaalsContact O-N 3.11Å; Q456-A459 PolarHBondContact O-N 3.43Å; Q456-A459 VanDerWaalsContact O-N 3.17Å; Q456-V460 HydrophobicContact CB-CG2 4.18Å; Q456-V460 WeakPolarHBondContact O-CG2 3.29Å; Q456-V460 PolarHBondContact O-N 3.28Å
457	H	80.3	Confident	85.6	Confident	122 Å²	122	62.3 Å²	62.3	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-51.5	-41.1	-171	-166	84.8	0	0	0	114	P454 S455 G461	P454-H457 WeakPolarHBondContact O-CB 3.48Å; P454-H457 PolarHBondContact O-N 3.3Å; S455-H457 PolarHBondContact O-N 2.72Å; H457-G461 PolarHBondContact O-N 3.41Å
458	G	77.2	Confident	85.2	Confident	59 Å²	59	60.5 Å²	60.5	61%	0.608	35%	0.349	S	S	*	.	H	α-helix	trans	-65.9	-48	-180	0	0	0	0	0	113.7	Q456 V460 G461 Y462	Q456-G458 VanDerWaalsContact C-N 3.28Å; Q456-G458 PolarHBondContact O-N 3.47Å; Q456-G458 VanDerWaalsContact O-N 3.11Å; G458-V460 VanDerWaalsContact C-N 3.33Å; G458-V460 PolarHBondContact O-N 2.97Å; G458-G461 PolarHBondContact O-N 3.26Å; G458-Y462 PolarHBondContact O-N 2.74Å
459	A	75.7	Confident	84.5	Confident	40 Å²	40	60.2 Å²	60.2	33%	0.331	35%	0.348	S	S	.	.	H	α-helix	trans	-67.2	-35.8	178.5	0	0	0	0	0	111.9	Q456 L463	Q456-A459 PolarHBondContact O-N 3.43Å; Q456-A459 VanDerWaalsContact O-N 3.17Å; A459-L463 PolarHBondContact O-N 2.75Å
460	V	84.6	Confident	83.5	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-67.3	-45	175	173.1	0	0	0	0	111.3	L446 I449 Q450 Q456 G458 Y462 L463 V464	L446-V460 HydrophobicContact CB-CG1 3.77Å; L446-V460 HydrophobicContact CD2-CB 4.42Å; L446-V460 HydrophobicContact CD2-CG1 4.01Å; L446-V460 HydrophobicContact CD2-CG2 4.17Å; L446-V460 HydrophobicContact CG-CG1 4.33Å; I449-V460 HydrophobicContact CB-CG2 4.41Å; I449-V460 HydrophobicContact CG2-CG2 3.85Å; Q450-V460 HydrophobicContact CG-CB 4.19Å; Q450-V460 HydrophobicContact CG-CG1 3.75Å; Q450-V460 HydrophobicContact CG-CG2 4.34Å; Q450-V460 VanDerWaalsContact NE2-CG1 3.32Å; Q456-V460 HydrophobicContact CB-CG2 4.18Å; Q456-V460 WeakPolarHBondContact O-CG2 3.29Å; Q456-V460 PolarHBondContact O-N 3.28Å; G458-V460 VanDerWaalsContact C-N 3.33Å; G458-V460 PolarHBondContact O-N 2.97Å; V460-Y462 VanDerWaalsContact C-N 3.31Å; V460-Y462 PolarHBondContact O-N 2.88Å; V460-L463 PolarHBondContact O-N 3.03Å; V460-L463 VanDerWaalsContact O-N 3.12Å; V460-V464 HydrophobicContact CG1-CG2 3.88Å; V460-V464 WeakPolarHBondContact O-CG2 3.4Å; V460-V464 PolarHBondContact O-N 3.47Å
461	G	79.4	Confident	82.8	Confident	31 Å²	31	61.9 Å²	61.9	32%	0.32	36%	0.356	S	S	.	.	H	α-helix	trans	-56.5	-42.7	-179.1	0	0	0	0	0	113.1	H457 G458 V464 Q465	H457-G461 PolarHBondContact O-N 3.41Å; G458-G461 PolarHBondContact O-N 3.26Å; G461-V464 PolarHBondContact O-N 2.71Å; G461-Q465 PolarHBondContact O-N 2.84Å
462	Y	82.1	Confident	81.9	Confident	140 Å²	140	64.2 Å²	64.2	55%	0.549	35%	0.353	S	S	.	.	H	α-helix	trans	-58.5	-48.9	174.5	176.6	-95.7	0	0	0	112.4	G458 V460 Q465 H466	G458-Y462 PolarHBondContact O-N 2.74Å; V460-Y462 VanDerWaalsContact C-N 3.31Å; V460-Y462 PolarHBondContact O-N 2.88Å; Y462-Q465 PolarHBondContact O-N 3.12Å; Y462-H466 AromaticContact CD2-CD2 3.72Å; Y462-H466 AromaticContact CD2-NE2 3.77Å; Y462-H466 AromaticContact CE1-CD2 3.62Å; Y462-H466 AromaticContact CE2-CD2 3.28Å; Y462-H466 WeakPolarHBondContact CE2-CD2 3.25Å; Y462-H466 AromaticContact CE2-NE2 3.02Å; Y462-H466 WeakPolarHBondContact CE2-NE2 3.32Å; Y462-H466 AromaticContact CZ-CD2 3.21Å; Y462-H466 AromaticContact CZ-NE2 3.22Å; Y462-H466 PolarHBondContact O-CD2 3.39Å; Y462-H466 PolarHBondContact O-N 2.83Å; Y462-H466 PolarHBondContact OH-NE2 2.59Å
463	L	84.9	Confident	80.6	Confident	13 Å²	13	67.7 Å²	67.7	7%	0.068	37%	0.367	C	S	.	.	H	α-helix	trans	-67.4	-38.2	-179.9	-71.2	173.9	0	0	0	112.1	L426 R430 F433 L446 A459 V460 T467	L426-L463 HydrophobicContact CD1-CD1 4.22Å; R430-L463 HydrophobicContact CG-CD1 4.01Å; F433-L463 HydrophobicContact CD1-CD2 4.13Å; F433-L463 HydrophobicContact CG-CD2 4.23Å; L446-L463 HydrophobicContact CD1-CB 3.64Å; L446-L463 HydrophobicContact CD2-CB 4.12Å; L446-L463 HydrophobicContact CD2-CD1 3.93Å; A459-L463 PolarHBondContact O-N 2.75Å; V460-L463 PolarHBondContact O-N 3.03Å; V460-L463 VanDerWaalsContact O-N 3.12Å; L463-T467 WeakPolarHBondContact O-CB 3.37Å; L463-T467 PolarHBondContact O-N 3.06Å; L463-T467 PolarHBondContact O-OG1 3.26Å
464	V	85.9	Confident	79.3	Confident	39 Å²	39	70.1 Å²	70.1	24%	0.236	38%	0.375	C	S	.	.	H	α-helix	trans	-60.1	-49.9	176.2	168.8	0	0	0	0	110.4	L443 L446 V460 G461 H466 T467 L468	L443-V464 HydrophobicContact CD2-CB 4.33Å; L443-V464 HydrophobicContact CD2-CG1 4.01Å; L443-V464 HydrophobicContact CD2-CG2 4.26Å; L446-V464 HydrophobicContact CB-CG2 4.02Å; L446-V464 HydrophobicContact CD1-CG2 3.71Å; L446-V464 HydrophobicContact CG-CG2 4.48Å; V460-V464 HydrophobicContact CG1-CG2 3.88Å; V460-V464 WeakPolarHBondContact O-CG2 3.4Å; V460-V464 PolarHBondContact O-N 3.47Å; G461-V464 PolarHBondContact O-N 2.71Å; V464-H466 PolarHBondContact O-N 3.07Å; V464-T467 PolarHBondContact O-N 2.95Å; V464-L468 HydrophobicContact CG1-CD1 3.94Å; V464-L468 HydrophobicContact CG1-CG 4.49Å; V464-L468 WeakPolarHBondContact O-CG 3.05Å; V464-L468 PolarHBondContact O-N 3.1Å
465	Q	84.9	Confident	77.9	Confident	115 Å²	115	73 Å²	73	54%	0.537	38%	0.378	S	S	.	.	H	α-helix	trans	-58.1	-52.6	-179.3	-177.8	-179	-21.8	0	0	111.4	G461 Y462 T467 L468 E469	G461-Q465 PolarHBondContact O-N 2.84Å; Y462-Q465 PolarHBondContact O-N 3.12Å; Q465-T467 VanDerWaalsContact C-N 3.31Å; Q465-T467 PolarHBondContact O-N 3.33Å; Q465-L468 PolarHBondContact O-N 3.03Å; Q465-E469 PolarHBondContact NE2-OE1 2.84Å; Q465-E469 VanDerWaalsContact NE2-OE1 3.14Å; Q465-E469 WeakPolarHBondContact O-CG 3.28Å; Q465-E469 PolarHBondContact O-N 2.92Å
466	H	80.3	Confident	76.1	Confident	52 Å²	52	75.5 Å²	75.5	24%	0.241	38%	0.379	C	S	.	.	H	α-helix	trans	-67.6	-30.5	-179.3	-76.8	-61.1	0	0	0	113.5	F433 Y462 V464 E469 H470	F433-H466 HydrophobicContact CE2-CB 3.69Å; F433-H466 HydrophobicContact CZ-CB 3.63Å; Y462-H466 AromaticContact CD2-CD2 3.72Å; Y462-H466 AromaticContact CD2-NE2 3.77Å; Y462-H466 AromaticContact CE1-CD2 3.62Å; Y462-H466 AromaticContact CE2-CD2 3.28Å; Y462-H466 WeakPolarHBondContact CE2-CD2 3.25Å; Y462-H466 AromaticContact CE2-NE2 3.02Å; Y462-H466 WeakPolarHBondContact CE2-NE2 3.32Å; Y462-H466 AromaticContact CZ-CD2 3.21Å; Y462-H466 AromaticContact CZ-NE2 3.22Å; Y462-H466 PolarHBondContact O-CD2 3.39Å; Y462-H466 PolarHBondContact O-N 2.83Å; Y462-H466 PolarHBondContact OH-NE2 2.59Å; V464-H466 PolarHBondContact O-N 3.07Å; H466-E469 IonicContact CE1-OE2 3.57Å; H466-E469 IonicContact CG-OE2 3.81Å; H466-E469 IonicContact ND1-OE2 2.84Å; H466-E469 PolarHBondContact ND1-OE2 3.09Å; H466-E469 PolarHBondContact O-N 3.45Å; H466-H470 WeakPolarHBondContact O-CB 3.33Å; H466-H470 PolarHBondContact O-N 2.87Å
467	T	82.4	Confident	74.7	Confident	2 Å²	2	78.4 Å²	78.4	1%	0.012	40%	0.404	C	S	.	.	H	α-helix	trans	-66.6	-42.3	174.2	-58.3	0	0	0	0	110.6	F433 P439 V442 L443 L463 V464 Q465 H470 I471	F433-T467 WeakPolarHBondContact CD2-OG1 3.17Å; P439-T467 HydrophobicContact CB-CG2 3.67Å; P439-T467 VanDerWaalsContact O-CG2 3.29Å; P439-T467 WeakPolarHBondContact O-CG2 3.27Å; V442-T467 HydrophobicContact CB-CG2 4.15Å; V442-T467 HydrophobicContact CG1-CG2 4.04Å; L443-T467 HydrophobicContact CD2-CG2 4.01Å; L443-T467 HydrophobicContact CG-CG2 4Å; L463-T467 WeakPolarHBondContact O-CB 3.37Å; L463-T467 PolarHBondContact O-N 3.06Å; L463-T467 PolarHBondContact O-OG1 3.26Å; V464-T467 PolarHBondContact O-N 2.95Å; Q465-T467 VanDerWaalsContact C-N 3.31Å; Q465-T467 PolarHBondContact O-N 3.33Å; T467-H470 WeakPolarHBondContact O-CB 3.32Å; T467-H470 PolarHBondContact O-N 2.97Å; T467-I471 HydrophobicContact CG2-CD1 4.48Å; T467-I471 WeakPolarHBondContact O-CG1 3.45Å; T467-I471 PolarHBondContact O-N 2.62Å
468	L	83.2	Confident	73.6	Confident	79 Å²	79	80 Å²	80	41%	0.414	42%	0.415	S	S	.	.	H	α-helix	trans	-63.9	-41.8	175.4	-70.7	170.4	0	0	0	112.1	L443 V464 Q465 H470 I471 Q472	L443-L468 HydrophobicContact CD1-CD2 3.79Å; L443-L468 HydrophobicContact CD1-CG 4.47Å; L443-L468 HydrophobicContact CD2-CG 4.37Å; V464-L468 HydrophobicContact CG1-CD1 3.94Å; V464-L468 HydrophobicContact CG1-CG 4.49Å; V464-L468 WeakPolarHBondContact O-CG 3.05Å; V464-L468 PolarHBondContact O-N 3.1Å; Q465-L468 PolarHBondContact O-N 3.03Å; L468-H470 VanDerWaalsContact C-N 3.31Å; L468-H470 PolarHBondContact O-N 3.21Å; L468-I471 PolarHBondContact O-N 2.83Å; L468-Q472 WeakPolarHBondContact O-CG 3.19Å; L468-Q472 PolarHBondContact O-N 3.28Å
469	E	78.8	Confident	72.8	Confident	67 Å²	67	83.1 Å²	83.1	31%	0.313	42%	0.422	S	S	.	.	H	α-helix	trans	-57.2	-45.4	172.2	-71.4	167.7	-175	0	0	110.8	Q465 H466 I471 Q472 H473	Q465-E469 PolarHBondContact NE2-OE1 2.84Å; Q465-E469 VanDerWaalsContact NE2-OE1 3.14Å; Q465-E469 WeakPolarHBondContact O-CG 3.28Å; Q465-E469 PolarHBondContact O-N 2.92Å; H466-E469 IonicContact CE1-OE2 3.57Å; H466-E469 IonicContact CG-OE2 3.81Å; H466-E469 IonicContact ND1-OE2 2.84Å; H466-E469 PolarHBondContact ND1-OE2 3.09Å; H466-E469 PolarHBondContact O-N 3.45Å; E469-I471 PolarHBondContact O-N 2.86Å; E469-Q472 PolarHBondContact O-N 3.33Å; E469-Q472 VanDerWaalsContact O-N 3.15Å; E469-H473 PolarHBondContact O-CD2 2.89Å; E469-H473 PolarHBondContact O-N 2.79Å
470	H	72.5	Confident	72.4	Confident	70 Å²	70	84.2 Å²	84.2	32%	0.324	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-39.4	178.7	-161	-137.6	0	0	0	112.7	H466 T467 L468 H473 K474	H466-H470 WeakPolarHBondContact O-CB 3.33Å; H466-H470 PolarHBondContact O-N 2.87Å; T467-H470 WeakPolarHBondContact O-CB 3.32Å; T467-H470 PolarHBondContact O-N 2.97Å; L468-H470 VanDerWaalsContact C-N 3.31Å; L468-H470 PolarHBondContact O-N 3.21Å; H470-H473 PolarHBondContact O-N 3.08Å; H470-K474 PolarHBondContact O-N 2.94Å
471	I	75.1	Confident	72.2	Confident	27 Å²	27	90.2 Å²	90.2	14%	0.138	45%	0.454	C	S	.	.	H	α-helix	trans	-62	-44.3	172.7	-66.2	168.7	0	0	0	110.7	P439 L443 T467 L468 E469 K474 K475	P439-I471 HydrophobicContact CB-CD1 3.85Å; P439-I471 HydrophobicContact CB-CG1 3.5Å; P439-I471 VanDerWaalsContact CB-CG1 3.5Å; P439-I471 HydrophobicContact CG-CD1 4.24Å; P439-I471 HydrophobicContact CG-CG1 3.66Å; L443-I471 HydrophobicContact CD1-CD1 3.9Å; T467-I471 HydrophobicContact CG2-CD1 4.48Å; T467-I471 WeakPolarHBondContact O-CG1 3.45Å; T467-I471 PolarHBondContact O-N 2.62Å; L468-I471 PolarHBondContact O-N 2.83Å; E469-I471 PolarHBondContact O-N 2.86Å; I471-K474 PolarHBondContact O-N 3.18Å; I471-K475 PolarHBondContact O-N 3.31Å
472	Q	72.2	Confident	72.8	Confident	130 Å²	130	92 Å²	92	61%	0.607	46%	0.458	S	S	*	.	H	α-helix	trans	-65.3	-39.8	-180	-72.3	179.3	-2.7	0	0	112.3	L468 E469 K475 H476	L468-Q472 WeakPolarHBondContact O-CG 3.19Å; L468-Q472 PolarHBondContact O-N 3.28Å; E469-Q472 PolarHBondContact O-N 3.33Å; E469-Q472 VanDerWaalsContact O-N 3.15Å; Q472-K475 PolarHBondContact O-N 3.35Å; Q472-H476 PolarHBondContact O-ND1 2.79Å
473	H	66	Low	73.3	Confident	142 Å²	142	86.2 Å²	86.2	66%	0.657	44%	0.436	S	S	*	.	H	α-helix	trans	-65.9	-39.5	175.2	-78	-65.4	0	0	0	112.6	E469 H470 K475 H476	E469-H473 PolarHBondContact O-CD2 2.89Å; E469-H473 PolarHBondContact O-N 2.79Å; H470-H473 PolarHBondContact O-N 3.08Å; H473-K475 VanDerWaalsContact C-N 3.28Å; H473-K475 PolarHBondContact O-N 3.47Å; H473-H476 PolarHBondContact O-N 2.94Å
474	K	62.9	Low	73.7	Confident	98 Å²	98	92.6 Å²	92.6	43%	0.426	46%	0.459	S	S	.	.	H	α-helix	trans	-65.5	-23.8	176.9	-79	-170.2	-180	-175	0	114.4	G436 H470 I471 H476	G436-K474 PolarHBondContact O-NZ 3.23Å; H470-K474 PolarHBondContact O-N 2.94Å; I471-K474 PolarHBondContact O-N 3.18Å; K474-H476 PolarHBondContact O-N 3.42Å
475	K	57.3	Low	73.9	Confident	160 Å²	160	92.1 Å²	92.1	70%	0.696	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.9	177.4	-74.4	-177.3	-179.2	-177.7	0	114.1	I471 Q472 H473 P477	I471-K475 PolarHBondContact O-N 3.31Å; Q472-K475 PolarHBondContact O-N 3.35Å; H473-K475 VanDerWaalsContact C-N 3.28Å; H473-K475 PolarHBondContact O-N 3.47Å; K475-P477 VanDerWaalsContact O-CD 3.26Å; K475-P477 WeakPolarHBondContact O-CD 3.39Å
476	H	50.4	Low	74.3	Confident	141 Å²	141	90.6 Å²	90.6	65%	0.653	46%	0.455	S	S	*	.	S	Bend	trans	-98.2	101.8	175.3	-65.2	82	0	0	0	108.8	Q472 H473 K474 I478	Q472-H476 PolarHBondContact O-ND1 2.79Å; H473-H476 PolarHBondContact O-N 2.94Å; K474-H476 PolarHBondContact O-N 3.42Å; H476-I478 PolarHBondContact O-N 3.32Å
477	P	52.8	Low	74.9	Confident	120 Å²	120	89.2 Å²	89.2	78%	0.779	45%	0.453	S	S	*	.			trans	-64.7	109.3	-179.9	24.7	-31.5	0	0	0	109.1	K475 T479	K475-P477 VanDerWaalsContact O-CD 3.26Å; K475-P477 WeakPolarHBondContact O-CD 3.39Å; P477-T479 PolarHBondContact O-N 3.32Å; P477-T479 VanDerWaalsContact O-N 3.13Å
478	I	56.3	Low	75.4	Confident	156 Å²	156	94.4 Å²	94.4	80%	0.8	49%	0.486	S	S	*	.			trans	-67.2	111.7	168.2	-57.1	172.4	0	0	0	105.6	H476	H476-I478 PolarHBondContact O-N 3.32Å
479	T	61.7	Low	75.7	Confident	124 Å²	124	97 Å²	97	76%	0.761	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-58.8	125.4	171.3	29	0	0	0	0	107.8	P477 E481	P477-T479 PolarHBondContact O-N 3.32Å; P477-T479 VanDerWaalsContact O-N 3.13Å; T479-E481 PolarHBondContact O-N 2.97Å
480	P	66.8	Low	76.5	Confident	63 Å²	63	94.1 Å²	94.1	41%	0.409	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-62.8	125	-178	23.1	-30.7	0	0	0	109.2	V482 R595	P480-V482 PolarHBondContact O-N 3.14Å; P480-R595 HydrophobicContact CB-CG 4.39Å
481	E	80.9	Confident	77.4	Confident	126 Å²	126	97 Å²	97	59%	0.589	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-61.7	128.8	178.4	-172.9	-178.4	-162.6	0	0	110.4	T479 K483	T479-E481 PolarHBondContact O-N 2.97Å; E481-K483 HydrophobicContact CG-CG 4.43Å
482	V	91	Very high	78.3	Confident	69 Å²	69	102 Å²	102	42%	0.418	52%	0.523	S	S	.	.			trans	-94.1	112.4	175.9	-179.9	0	0	0	0	108.5	P480 R484 P597	P480-V482 PolarHBondContact O-N 3.14Å; V482-R484 HydrophobicContact CG1-CG 4.23Å; V482-P597 HydrophobicContact CG1-CG 3.93Å
483	K	92.7	Very high	79.5	Confident	17 Å²	17	96.3 Å²	96.3	7%	0.074	50%	0.497	C	S	.	.			trans	-95.5	102.6	-178.2	-71.5	179.3	171.7	175.1	0	110.4	E481 W515 D516 R595 Y596	E481-K483 HydrophobicContact CG-CG 4.43Å; K483-W515 HydrophobicContact CB-CH2 3.6Å; K483-W515 HydrophobicContact CB-CZ2 3.88Å; K483-W515 HydrophobicContact CB-CZ3 4.11Å; K483-W515 HydrophobicContact CD-CE3 4.29Å; K483-W515 HydrophobicContact CD-CH2 4.43Å; K483-W515 HydrophobicContact CD-CZ3 4.12Å; K483-W515 HydrophobicContact CG-CH2 4.41Å; K483-W515 HydrophobicContact CG-CZ3 4.45Å; K483-W515 PolarHBondContact NZ-O 3.35Å; K483-D516 IonicContact NZ-OD1 2.63Å; K483-D516 PolarHBondContact NZ-OD1 3.23Å; K483-R595 PolarHBondContact N-O 3.31Å; K483-Y596 HydrophobicContact CB-CD1 3.97Å; K483-Y596 HydrophobicContact CB-CE1 3.95Å; K483-Y596 HydrophobicContact CD-CD1 4.49Å; K483-Y596 HydrophobicContact CD-CE1 3.63Å; K483-Y596 HydrophobicContact CG-CE1 4.37Å
484	R	93.4	Very high	80.9	Confident	147 Å²	147	95.5 Å²	95.5	56%	0.555	49%	0.493	S	S	*	.			trans	-95	125.8	176.8	-61.9	-172.7	-176.6	-167.7	-0	110.4	V482 S486 A487 H490 P597	V482-R484 HydrophobicContact CG1-CG 4.23Å; R484-S486 PolarHBondContact O-N 2.87Å; R484-A487 VanDerWaalsContact O-CB 3.25Å; R484-A487 WeakPolarHBondContact O-CB 3.31Å; R484-A487 PolarHBondContact O-N 3.44Å; R484-H490 PolarHBondContact O-ND1 3.46Å; R484-P597 HydrophobicContact CG-CG 4.32Å
485	R	91.5	Very high	82.5	Confident	29 Å²	29	92.1 Å²	92.1	11%	0.109	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28	177.7	-55.8	-171.2	81.2	89.1	-4.4	112.1	A487 V493 Y495 W515 E598 D599	R485-A487 PolarHBondContact O-N 2.73Å; R485-A487 VanDerWaalsContact O-N 3.17Å; R485-V493 VanDerWaalsContact NH2-C 3.29Å; R485-V493 PolarHBondContact NH2-O 2.92Å; R485-Y495 PolarHBondContact NH1-O 3.45Å; R485-Y495 PolarHBondContact NH2-O 2.81Å; R485-W515 HydrophobicContact CG-CZ2 4.12Å; R485-E598 WeakPolarHBondContact CA-OE2 3.26Å; R485-E598 WeakPolarHBondContact CB-OE2 3.39Å; R485-E598 HydrophobicContact CG-CB 4.23Å; R485-E598 PolarHBondContact N-OE2 3.24Å; R485-D599 VanDerWaalsContact CD-OD1 3.26Å; R485-D599 WeakPolarHBondContact CD-OD1 2.97Å; R485-D599 WeakPolarHBondContact CG-OD1 3.35Å; R485-D599 IonicContact CZ-OD1 2.86Å; R485-D599 IonicContact NH1-OD1 3.92Å; R485-D599 PolarHBondContact NH1-OD1 2.98Å; R485-D599 IonicContact NH1-OD2 2.71Å
486	S	92.1	Very high	84.4	Confident	83 Å²	83	84.6 Å²	84.6	58%	0.58	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.9	174.8	77	0	0	0	0	114	R484 E598	R484-S486 PolarHBondContact O-N 2.87Å; S486-E598 PolarHBondContact N-OE2 3.14Å
487	A	93.4	Very high	86.6	Confident	23 Å²	23	78.1 Å²	78.1	19%	0.19	42%	0.416	C	S	.	.	S	Bend	trans	-72.2	141.1	178.4	0	0	0	0	0	110.8	R484 R485 E489 H490	R484-A487 VanDerWaalsContact O-CB 3.25Å; R484-A487 WeakPolarHBondContact O-CB 3.31Å; R484-A487 PolarHBondContact O-N 3.44Å; R485-A487 PolarHBondContact O-N 2.73Å; R485-A487 VanDerWaalsContact O-N 3.17Å; A487-E489 HydrophobicContact CB-CG 4.35Å; A487-E489 PolarHBondContact O-N 3.43Å; A487-E489 VanDerWaalsContact O-N 3.15Å; A487-H490 PolarHBondContact O-N 3.36Å
488	P	91.9	Very high	88.8	Confident	111 Å²	111	72.4 Å²	72.4	72%	0.721	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-55.7	-35	-177.1	-27.3	34.9	0	0	0	114.5	H490 L491	P488-H490 PolarHBondContact O-N 2.92Å; P488-L491 WeakPolarHBondContact O-CG 3.21Å
489	E	91.1	Very high	90.7	Very high	133 Å²	133	65 Å²	65	62%	0.621	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-73.4	-11.2	179.4	65.2	-148	-153.2	0	0	114.3	A487 P517	A487-E489 HydrophobicContact CB-CG 4.35Å; A487-E489 PolarHBondContact O-N 3.43Å; A487-E489 VanDerWaalsContact O-N 3.15Å; E489-P517 WeakPolarHBondContact O-CB 3.26Å
490	H	94.3	Very high	92.4	Very high	8 Å²	8	59 Å²	59	4%	0.037	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-108.2	0.9	-177.3	-58.5	155.4	0	0	0	113.5	R484 A487 P488 E492 V493 W515	R484-H490 PolarHBondContact O-ND1 3.46Å; A487-H490 PolarHBondContact O-N 3.36Å; P488-H490 PolarHBondContact O-N 2.92Å; H490-E492 PolarHBondContact O-N 3.42Å; H490-E492 VanDerWaalsContact O-N 3.14Å; H490-V493 HydrophobicContact CB-CG2 4.37Å; H490-V493 WeakPolarHBondContact O-CB 3.09Å; H490-V493 VanDerWaalsContact O-CG2 3.32Å; H490-V493 WeakPolarHBondContact O-CG2 3.4Å; H490-V493 PolarHBondContact O-N 2.89Å; H490-W515 HydrophobicContact CB-CH2 3.91Å; H490-W515 HydrophobicContact CB-CZ3 4.09Å; H490-W515 AromaticContact CD2-CH2 3.98Å; H490-W515 AromaticContact CD2-CZ3 3.56Å; H490-W515 AromaticContact CE1-CH2 3.98Å; H490-W515 AromaticContact CG-CH2 3.56Å; H490-W515 AromaticContact CG-CZ3 3.6Å; H490-W515 AromaticContact ND1-CH2 3.56Å; H490-W515 AromaticContact ND1-CZ3 3.92Å; H490-W515 AromaticContact NE2-CZ3 3.83Å
491	L	92.3	Very high	93.9	Very high	129 Å²	129	56 Å²	56	68%	0.675	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.2	-174.9	-66.9	174.9	0	0	0	114	P488	P488-L491 WeakPolarHBondContact O-CG 3.21Å
492	E	94.2	Very high	94.7	Very high	133 Å²	133	53.8 Å²	53.8	62%	0.621	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.4	179.1	-64.1	-170.1	179.1	0	0	113.9	H490 Q494 P541 Q557	H490-E492 PolarHBondContact O-N 3.42Å; H490-E492 VanDerWaalsContact O-N 3.14Å; E492-Q494 PolarHBondContact O-N 3.31Å; E492-P541 HydrophobicContact CB-CG 4.15Å; E492-P541 WeakPolarHBondContact O-CG 3.31Å; E492-Q557 PolarHBondContact O-NE2 3.06Å; E492-Q557 PolarHBondContact O-OE1 3.4Å
493	V	96.1	Very high	95	Very high	11 Å²	11	51.3 Å²	51.3	7%	0.067	26%	0.257	C	S	.	.			trans	-71.1	116.9	179	-174.5	0	0	0	0	108.6	R485 H490 Y495 W515 P541 Y543	R485-V493 VanDerWaalsContact NH2-C 3.29Å; R485-V493 PolarHBondContact NH2-O 2.92Å; H490-V493 HydrophobicContact CB-CG2 4.37Å; H490-V493 WeakPolarHBondContact O-CB 3.09Å; H490-V493 VanDerWaalsContact O-CG2 3.32Å; H490-V493 WeakPolarHBondContact O-CG2 3.4Å; H490-V493 PolarHBondContact O-N 2.89Å; V493-Y495 WeakPolarHBondContact CG1-O 3.42Å; V493-W515 HydrophobicContact CG1-CB 4.39Å; V493-W515 HydrophobicContact CG1-CD2 3.82Å; V493-W515 HydrophobicContact CG1-CE3 4.09Å; V493-W515 HydrophobicContact CG1-CG 3.97Å; V493-W515 HydrophobicContact CG2-CD2 4.35Å; V493-W515 HydrophobicContact CG2-CE3 3.77Å; V493-W515 HydrophobicContact CG2-CZ3 3.88Å; V493-P541 HydrophobicContact CG2-CB 4.17Å; V493-P541 HydrophobicContact CG2-CG 4.05Å; V493-Y543 HydrophobicContact CG1-CE1 4.17Å; V493-Y543 WeakPolarHBondContact CG1-OH 3.38Å
494	Q	95.6	Very high	95.2	Very high	124 Å²	124	55.4 Å²	55.4	58%	0.579	28%	0.275	S	S	*	.			trans	-93.6	-35	-175.8	-70.3	176.8	3.9	0	0	113.8	E492 Y543 Q557	E492-Q494 PolarHBondContact O-N 3.31Å; Q494-Y543 PolarHBondContact N-OH 2.9Å; Q494-Q557 HydrophobicContact CB-CG 4.49Å; Q494-Q557 VanDerWaalsContact CD-NE2 3.34Å
495	Y	96.8	Very high	95	Very high	28 Å²	28	56.4 Å²	56.4	11%	0.11	28%	0.279	C	S	.	.			trans	-108.2	160.7	-174	-50.4	-57.2	0	0	0	111.1	R485 V493 L499 M501 I512 Y543 Q557 L560 P562	R485-Y495 PolarHBondContact NH1-O 3.45Å; R485-Y495 PolarHBondContact NH2-O 2.81Å; V493-Y495 WeakPolarHBondContact CG1-O 3.42Å; Y495-L499 HydrophobicContact CD1-CD2 4.16Å; Y495-M501 HydrophobicContact CD1-CE 3.61Å; Y495-M501 HydrophobicContact CD1-SD 4.49Å; Y495-M501 HydrophobicContact CD2-CE 3.51Å; Y495-M501 HydrophobicContact CE1-CE 3.73Å; Y495-M501 HydrophobicContact CE2-CE 3.61Å; Y495-M501 HydrophobicContact CG-CE 3.5Å; Y495-M501 VanDerWaalsContact CG-CE 3.5Å; Y495-M501 HydrophobicContact CG-SD 4.45Å; Y495-I512 VanDerWaalsContact CB-CD1 3.5Å; Y495-I512 HydrophobicContact CG-CD1 4.36Å; Y495-Y543 HydrophobicContact CD2-CE1 4.47Å; Y495-Y543 AromaticContact CD2-CE2 3.89Å; Y495-Y543 HydrophobicContact CD2-CE2 3.89Å; Y495-Y543 AromaticContact CD2-CZ 3.82Å; Y495-Y543 PolarHBondContact N-OH 2.8Å; Y495-Q557 HydrophobicContact CD2-CG 4.34Å; Y495-Q557 HydrophobicContact CE2-CG 4.06Å; Y495-L560 HydrophobicContact CD2-CB 4.43Å; Y495-L560 HydrophobicContact CE2-CB 4.03Å; Y495-L560 PolarHBondContact OH-O 2.8Å; Y495-P562 HydrophobicContact CD1-CG 4.48Å; Y495-P562 HydrophobicContact CE1-CG 3.98Å
496	S	97.1	Very high	94.9	Very high	1 Å²	1	59 Å²	59	1%	0.007	30%	0.301	C	S	.	.			trans	-124.2	156.4	-172.9	50.4	0	0	0	0	111.8	L499 D599 T603	S496-L499 WeakPolarHBondContact O-CB 3.32Å; S496-L499 PolarHBondContact O-N 3.19Å; S496-D599 WeakPolarHBondContact CA-OD2 3.47Å; S496-T603 VanDerWaalsContact CB-OG1 3.3Å; S496-T603 WeakPolarHBondContact CB-OG1 3.41Å; S496-T603 WeakPolarHBondContact OG-CA 3.38Å; S496-T603 PolarHBondContact OG-N 2.96Å; S496-T603 PolarHBondContact OG-OG1 2.92Å
497	V	97.8	Very high	95	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.03	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	136	173.1	169.2	0	0	0	0	110.8	I512 F578 L592 Y596 D599 T603	V497-I512 WeakPolarHBondContact CA-O 3.19Å; V497-I512 HydrophobicContact CG2-CG2 4.35Å; V497-F578 HydrophobicContact CG1-CE1 3.86Å; V497-F578 HydrophobicContact CG1-CZ 4.31Å; V497-L592 HydrophobicContact CG1-CD1 4.44Å; V497-L592 HydrophobicContact CG1-CD2 3.37Å; V497-L592 HydrophobicContact CG1-CG 3.87Å; V497-Y596 HydrophobicContact CG2-CD1 4.19Å; V497-Y596 HydrophobicContact CG2-CD2 3.88Å; V497-Y596 HydrophobicContact CG2-CE1 4.47Å; V497-Y596 HydrophobicContact CG2-CE2 4.19Å; V497-Y596 HydrophobicContact CG2-CG 3.87Å; V497-D599 HydrophobicContact CB-CB 4.15Å; V497-D599 WeakPolarHBondContact CB-OD2 3.5Å; V497-D599 WeakPolarHBondContact CG2-OD2 3.23Å; V497-D599 PolarHBondContact N-OD2 3.24Å; V497-T603 PolarHBondContact O-OG1 3.39Å
498	G	97.2	Very high	95.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	-7.8	-179.2	0	0	0	0	0	114.8	I512 Y586	G498-I512 PolarHBondContact N-O 3.45Å; G498-Y586 WeakPolarHBondContact CA-O 3.49Å; G498-Y586 PolarHBondContact O-N 2.99Å
499	L	97.3	Very high	95.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.26	C	S	.	.			trans	-76.1	138.5	176.4	-165.7	64.1	0	0	0	111.5	Y495 S496 M501 V511 I512 P562 T603 T606 V607	Y495-L499 HydrophobicContact CD1-CD2 4.16Å; S496-L499 WeakPolarHBondContact O-CB 3.32Å; S496-L499 PolarHBondContact O-N 3.19Å; L499-M501 HydrophobicContact CB-SD 4.16Å; L499-M501 HydrophobicContact CD2-CE 4.5Å; L499-M501 HydrophobicContact CD2-SD 3.53Å; L499-M501 VanDerWaalsContact CD2-SD 3.53Å; L499-M501 HydrophobicContact CG-SD 3.66Å; L499-V511 WeakPolarHBondContact O-CA 3.4Å; L499-I512 PolarHBondContact O-N 2.84Å; L499-I512 VanDerWaalsContact O-N 3.14Å; L499-P562 HydrophobicContact CD2-CG 4.46Å; L499-T603 HydrophobicContact CD1-CG2 4.45Å; L499-T606 HydrophobicContact CD1-CG2 4.09Å; L499-T606 HydrophobicContact CD2-CG2 3.94Å; L499-V607 HydrophobicContact CD1-CG2 3.82Å
500	I	97.6	Very high	95.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.9	177.5	-51.1	154.9	0	0	0	108.3	C510 H563 L567 I569 F581 T584 Y586	I500-C510 CarbonylContact C-O 3.56Å; I500-C510 WeakPolarHBondContact CA-O 3.38Å; I500-H563 HydrophobicContact CB-CB 4.32Å; I500-H563 HydrophobicContact CG2-CB 3.82Å; I500-H563 PolarHBondContact O-N 2.93Å; I500-L567 VanDerWaalsContact CD1-O 3.28Å; I500-L567 WeakPolarHBondContact CD1-O 3.3Å; I500-L567 HydrophobicContact CG2-CB 4.37Å; I500-I569 HydrophobicContact CG2-CD1 4.16Å; I500-I569 HydrophobicContact CG2-CG1 4.28Å; I500-F581 HydrophobicContact CD1-CE2 3.88Å; I500-F581 HydrophobicContact CD1-CZ 4.34Å; I500-T584 WeakPolarHBondContact CD1-O 3.36Å; I500-Y586 HydrophobicContact CG1-CD2 4.46Å; I500-Y586 HydrophobicContact CG1-CE2 4.48Å
501	M	97.8	Very high	95.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	159.5	-171.8	-52.7	-59.3	-74.8	0	0	111.1	Y495 L499 N509 C510 I512 L560 E561 P562	Y495-M501 HydrophobicContact CD1-CE 3.61Å; Y495-M501 HydrophobicContact CD1-SD 4.49Å; Y495-M501 HydrophobicContact CD2-CE 3.51Å; Y495-M501 HydrophobicContact CE1-CE 3.73Å; Y495-M501 HydrophobicContact CE2-CE 3.61Å; Y495-M501 HydrophobicContact CG-CE 3.5Å; Y495-M501 VanDerWaalsContact CG-CE 3.5Å; Y495-M501 HydrophobicContact CG-SD 4.45Å; L499-M501 HydrophobicContact CB-SD 4.16Å; L499-M501 HydrophobicContact CD2-CE 4.5Å; L499-M501 HydrophobicContact CD2-SD 3.53Å; L499-M501 VanDerWaalsContact CD2-SD 3.53Å; L499-M501 HydrophobicContact CG-SD 3.66Å; M501-N509 WeakPolarHBondContact O-CA 3.42Å; M501-C510 PolarHBondContact N-O 2.81Å; M501-C510 PolarHBondContact O-N 3.39Å; M501-I512 HydrophobicContact CE-CD1 4.3Å; M501-I512 HydrophobicContact CG-CD1 3.56Å; M501-I512 HydrophobicContact CG-CG1 3.7Å; M501-I512 HydrophobicContact SD-CD1 3.94Å; M501-L560 HydrophobicContact CB-CD2 4.35Å; M501-L560 HydrophobicContact CE-CB 3.87Å; M501-E561 CarbonylContact C-O 3.51Å; M501-E561 VanDerWaalsContact CA-O 3.32Å; M501-E561 WeakPolarHBondContact CA-O 3.43Å; M501-P562 HydrophobicContact CE-CG 4.35Å; M501-P562 HydrophobicContact SD-CB 4.49Å
502	K	97.6	Very high	96.2	Very high	78 Å²	78	40.3 Å²	40.3	34%	0.339	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.5	166.7	-172	175.6	179.3	-178.9	0	109.1	Y508 E561	K502-Y508 WeakPolarHBondContact CA-O 3.14Å; K502-E561 HydrophobicContact CB-CG 4.3Å; K502-E561 PolarHBondContact N-O 3.31Å; K502-E561 WeakPolarHBondContact O-CG 3.37Å; K502-E561 PolarHBondContact O-N 3.31Å
503	H	97.3	Very high	96.3	Very high	18 Å²	18	35.7 Å²	35.7	8%	0.083	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.3	173.3	-172.9	-77	0	0	0	110.4	R505 S506 G507 Y508 N559 L560	H503-R505 PolarHBondContact ND1-N 3.45Å; H503-R505 PolarHBondContact O-N 2.96Å; H503-S506 PolarHBondContact ND1-N 3.41Å; H503-G507 WeakPolarHBondContact O-CA 3.46Å; H503-G507 PolarHBondContact O-N 3.09Å; H503-Y508 HydrophobicContact CB-CD1 3.74Å; H503-Y508 HydrophobicContact CB-CD2 3.95Å; H503-Y508 HydrophobicContact CB-CE1 3.43Å; H503-Y508 VanDerWaalsContact CB-CE1 3.43Å; H503-Y508 HydrophobicContact CB-CE2 3.69Å; H503-Y508 HydrophobicContact CB-CG 3.98Å; H503-Y508 VanDerWaalsContact CB-CZ 3.42Å; H503-Y508 AromaticContact CD2-CE1 3.63Å; H503-Y508 AromaticContact CD2-CZ 3.47Å; H503-Y508 VanDerWaalsContact CD2-CZ 3.47Å; H503-Y508 PolarHBondContact CD2-OH 3.18Å; H503-Y508 AromaticContact CG-CE1 3.43Å; H503-Y508 VanDerWaalsContact CG-CE1 3.43Å; H503-Y508 AromaticContact CG-CZ 3.58Å; H503-Y508 PolarHBondContact N-O 2.96Å; H503-N559 CarbonylContact C-O 3.07Å; H503-N559 WeakPolarHBondContact CA-O 3.41Å; H503-L560 HydrophobicContact CB-CD2 4.39Å
504	K	96.1	Very high	96.3	Very high	103 Å²	103	35.3 Å²	35.3	45%	0.448	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-41.4	-171	-66.9	178.3	-175.1	162.2	0	114.2	E558 N559 L560 E561	K504-E558 WeakPolarHBondContact CD-O 3.35Å; K504-E558 PolarHBondContact NZ-O 3.26Å; K504-N559 PolarHBondContact N-O 2.59Å; K504-L560 VanDerWaalsContact CE-O 3.23Å; K504-L560 WeakPolarHBondContact CE-O 3.48Å; K504-L560 PolarHBondContact NZ-O 2.9Å; K504-E561 HydrophobicContact CG-CB 4.29Å; K504-E561 HydrophobicContact CG-CG 3.86Å; K504-E561 WeakPolarHBondContact CG-OE2 3.47Å
505	R	90.5	Very high	96.3	Very high	168 Å²	168	29.4 Å²	29.4	63%	0.634	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-58.2	-175.1	-52.9	-178.2	-171.1	-170.2	-0.4	112.6	H503 G507 N559	H503-R505 PolarHBondContact ND1-N 3.45Å; H503-R505 PolarHBondContact O-N 2.96Å; R505-G507 VanDerWaalsContact C-N 3.35Å; R505-N559 PolarHBondContact NE-OD1 2.91Å
506	S	89.8	Confident	96.2	Very high	82 Å²	82	28.9 Å²	28.9	57%	0.573	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-13.7	-178.5	-51	0	0	0	0	115.1	H503 Y508	H503-S506 PolarHBondContact ND1-N 3.41Å; S506-Y508 VanDerWaalsContact C-N 3.27Å; S506-Y508 PolarHBondContact O-N 3.2Å
507	G	94.4	Very high	96	Very high	35 Å²	35	30.3 Å²	30.3	36%	0.361	15%	0.153	S	C	.	.			trans	74.1	2.7	173.5	0	0	0	0	0	116.7	H503 R505	H503-G507 WeakPolarHBondContact O-CA 3.46Å; H503-G507 PolarHBondContact O-N 3.09Å; R505-G507 VanDerWaalsContact C-N 3.35Å
508	Y	95.8	Very high	95.8	Very high	32 Å²	32	35.7 Å²	35.7	13%	0.125	18%	0.176	C	C	.	.			trans	-74.7	149.7	-179.2	65.8	-102.5	0	0	0	112.3	K502 H503 S506 C510 V545 V547 R553	K502-Y508 WeakPolarHBondContact CA-O 3.14Å; H503-Y508 HydrophobicContact CB-CD1 3.74Å; H503-Y508 HydrophobicContact CB-CD2 3.95Å; H503-Y508 HydrophobicContact CB-CE1 3.43Å; H503-Y508 VanDerWaalsContact CB-CE1 3.43Å; H503-Y508 HydrophobicContact CB-CE2 3.69Å; H503-Y508 HydrophobicContact CB-CG 3.98Å; H503-Y508 VanDerWaalsContact CB-CZ 3.42Å; H503-Y508 AromaticContact CD2-CE1 3.63Å; H503-Y508 AromaticContact CD2-CZ 3.47Å; H503-Y508 VanDerWaalsContact CD2-CZ 3.47Å; H503-Y508 PolarHBondContact CD2-OH 3.18Å; H503-Y508 AromaticContact CG-CE1 3.43Å; H503-Y508 VanDerWaalsContact CG-CE1 3.43Å; H503-Y508 AromaticContact CG-CZ 3.58Å; H503-Y508 PolarHBondContact N-O 2.96Å; S506-Y508 VanDerWaalsContact C-N 3.27Å; S506-Y508 PolarHBondContact O-N 3.2Å; Y508-C510 HydrophobicContact CD2-CB 4.22Å; Y508-C510 HydrophobicContact CE2-CB 4.21Å; Y508-V545 HydrophobicContact CE2-CG2 4.38Å; Y508-V547 HydrophobicContact CD2-CB 4.3Å; Y508-V547 HydrophobicContact CD2-CG1 3.54Å; Y508-V547 HydrophobicContact CD2-CG2 3.79Å; Y508-V547 HydrophobicContact CE2-CG1 4.31Å; Y508-V547 HydrophobicContact CE2-CG2 3.71Å; Y508-V547 HydrophobicContact CG-CG1 3.82Å; Y508-R553 VanDerWaalsContact CD1-NH1 3.29Å; Y508-R553 VanDerWaalsContact CE1-NH1 3.25Å
509	N	97.6	Very high	95.5	Very high	29 Å²	29	36.7 Å²	36.7	16%	0.155	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	141.8	175.8	-52.8	-42.8	0	0	0	110.3	M501 Q548 H563 L567 I569	M501-N509 WeakPolarHBondContact O-CA 3.42Å; N509-Q548 HydrophobicContact CB-CB 4.49Å; N509-Q548 PolarHBondContact ND2-OE1 3.12Å; N509-Q548 PolarHBondContact O-N 2.92Å; N509-H563 PolarHBondContact OD1-CD2 3.07Å; N509-H563 VanDerWaalsContact OD1-CD2 3.22Å; N509-H563 PolarHBondContact OD1-NE2 3.13Å; N509-L567 HydrophobicContact CB-CD2 3.81Å; N509-L567 WeakPolarHBondContact ND2-CD2 3.43Å; N509-I569 HydrophobicContact CB-CD1 3.84Å
510	C	97.4	Very high	95.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	169.7	-177.9	61.7	0	0	0	0	113.1	I500 M501 Y508 V545 L546 V547	I500-C510 CarbonylContact C-O 3.56Å; I500-C510 WeakPolarHBondContact CA-O 3.38Å; M501-C510 PolarHBondContact N-O 2.81Å; M501-C510 PolarHBondContact O-N 3.39Å; Y508-C510 HydrophobicContact CD2-CB 4.22Å; Y508-C510 HydrophobicContact CE2-CB 4.21Å; C510-V545 HydrophobicContact CB-CB 3.87Å; C510-V545 HydrophobicContact CB-CG2 4.1Å; C510-L546 CarbonylContact C-O 3.59Å; C510-L546 WeakPolarHBondContact CA-O 3.37Å; C510-L546 WeakPolarHBondContact CB-O 3.47Å; C510-V547 HydrophobicContact CB-CB 4.47Å; C510-V547 HydrophobicContact CB-CG2 4.03Å
511	V	98.1	Very high	94.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	138	168.9	57.2	0	0	0	0	109.8	L499 V545 L546 I569 V574 F578 Y586	L499-V511 WeakPolarHBondContact O-CA 3.4Å; V511-V545 VanDerWaalsContact O-CA 3.31Å; V511-V545 WeakPolarHBondContact O-CA 3.31Å; V511-L546 HydrophobicContact CG1-CB 3.83Å; V511-L546 HydrophobicContact CG1-CD1 4.18Å; V511-L546 HydrophobicContact CG1-CG 4.35Å; V511-L546 PolarHBondContact N-O 2.91Å; V511-L546 PolarHBondContact O-N 3.31Å; V511-I569 HydrophobicContact CB-CG1 4.28Å; V511-I569 HydrophobicContact CG1-CB 4.34Å; V511-I569 HydrophobicContact CG1-CG1 4.45Å; V511-I569 HydrophobicContact CG1-CG2 4.43Å; V511-V574 HydrophobicContact CG1-CG2 4.49Å; V511-F578 HydrophobicContact CG1-CE2 4.09Å; V511-F578 HydrophobicContact CG2-CE2 3.93Å; V511-F578 HydrophobicContact CG2-CZ 3.79Å; V511-Y586 HydrophobicContact CB-CD2 4.01Å; V511-Y586 HydrophobicContact CB-CE2 4.16Å; V511-Y586 HydrophobicContact CG1-CD2 4.41Å; V511-Y586 HydrophobicContact CG1-CE2 4.36Å; V511-Y586 HydrophobicContact CG2-CD2 3.51Å; V511-Y586 HydrophobicContact CG2-CE2 4.17Å; V511-Y586 HydrophobicContact CG2-CG 4.12Å
512	I	98.3	Very high	93.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	124.1	176.6	-64.1	168.9	0	0	0	109.6	Y495 V497 G498 L499 M501 Y543 V545 F578	Y495-I512 VanDerWaalsContact CB-CD1 3.5Å; Y495-I512 HydrophobicContact CG-CD1 4.36Å; V497-I512 WeakPolarHBondContact CA-O 3.19Å; V497-I512 HydrophobicContact CG2-CG2 4.35Å; G498-I512 PolarHBondContact N-O 3.45Å; L499-I512 PolarHBondContact O-N 2.84Å; L499-I512 VanDerWaalsContact O-N 3.14Å; M501-I512 HydrophobicContact CE-CD1 4.3Å; M501-I512 HydrophobicContact CG-CD1 3.56Å; M501-I512 HydrophobicContact CG-CG1 3.7Å; M501-I512 HydrophobicContact SD-CD1 3.94Å; I512-Y543 HydrophobicContact CD1-CD1 3.72Å; I512-Y543 HydrophobicContact CD1-CE1 4.1Å; I512-Y543 HydrophobicContact CD1-CG 4.28Å; I512-Y543 HydrophobicContact CG1-CD1 4.14Å; I512-Y543 HydrophobicContact CG2-CD1 3.75Å; I512-V545 HydrophobicContact CG1-CG1 4.04Å; I512-F578 WeakPolarHBondContact O-CZ 3.17Å
513	Y	96.3	Very high	93	Very high	36 Å²	36	49.4 Å²	49.4	14%	0.141	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	1.3	173.9	74.3	-86.5	0	0	0	113.7	N544 L546 Y577 L592	Y513-N544 VanDerWaalsContact CD1-C 3.43Å; Y513-N544 HydrophobicContact CD1-CB 4.06Å; Y513-N544 WeakPolarHBondContact CD1-O 3.37Å; Y513-N544 HydrophobicContact CD2-CB 4.27Å; Y513-N544 HydrophobicContact CE1-CB 3.62Å; Y513-N544 HydrophobicContact CE2-CB 3.82Å; Y513-N544 HydrophobicContact CG-CB 4.4Å; Y513-N544 VanDerWaalsContact CZ-CB 3.5Å; Y513-N544 PolarHBondContact N-O 2.99Å; Y513-L546 HydrophobicContact CD1-CD1 4.5Å; Y513-L546 HydrophobicContact CD1-CD2 3.7Å; Y513-L546 HydrophobicContact CD1-CG 3.58Å; Y513-L546 HydrophobicContact CE1-CD2 3.63Å; Y513-L546 HydrophobicContact CE1-CG 4.02Å; Y513-L546 HydrophobicContact CG-CD2 4.42Å; Y513-L546 HydrophobicContact CG-CG 4.26Å; Y513-Y577 AromaticContact CD2-CD1 3.85Å; Y513-Y577 HydrophobicContact CD2-CD1 3.85Å; Y513-Y577 HydrophobicContact CD2-CD2 4.16Å; Y513-Y577 AromaticContact CD2-CE1 3.51Å; Y513-Y577 HydrophobicContact CD2-CE1 3.51Å; Y513-Y577 AromaticContact CD2-CE2 3.83Å; Y513-Y577 HydrophobicContact CD2-CE2 3.83Å; Y513-Y577 HydrophobicContact CD2-CG 4.16Å; Y513-Y577 AromaticContact CD2-CZ 3.49Å; Y513-Y577 VanDerWaalsContact CD2-CZ 3.49Å; Y513-Y577 AromaticContact CE2-CE1 3.95Å; Y513-Y577 HydrophobicContact CE2-CE1 3.95Å; Y513-Y577 HydrophobicContact CE2-CE2 4.1Å; Y513-Y577 AromaticContact CE2-CZ 3.59Å; Y513-Y577 HydrophobicContact CG-CD1 4.43Å; Y513-Y577 HydrophobicContact CG-CD2 4.23Å; Y513-Y577 HydrophobicContact CG-CE1 4.43Å; Y513-Y577 HydrophobicContact CG-CE2 4.21Å; Y513-Y577 HydrophobicContact CG-CG 4.33Å; Y513-L592 VanDerWaalsContact O-CD1 3.31Å; Y513-L592 WeakPolarHBondContact O-CD1 3.42Å
514	G	95.2	Very high	92.2	Very high	2 Å²	2	55.7 Å²	55.7	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	166.2	171.3	0	0	0	0	0	111.9	Y543 N544 Y596	G514-Y543 WeakPolarHBondContact O-CA 3.42Å; G514-N544 PolarHBondContact N-O 2.98Å; G514-N544 PolarHBondContact O-N 3.43Å; G514-Y596 VanDerWaalsContact CA-OH 3.31Å; G514-Y596 WeakPolarHBondContact CA-OH 3.21Å
515	W	96.4	Very high	91.7	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	153.7	179.2	52.5	-101.7	0	0	0	111.6	K483 R485 H490 V493 F542 Y543 Y596 D599	K483-W515 HydrophobicContact CB-CH2 3.6Å; K483-W515 HydrophobicContact CB-CZ2 3.88Å; K483-W515 HydrophobicContact CB-CZ3 4.11Å; K483-W515 HydrophobicContact CD-CE3 4.29Å; K483-W515 HydrophobicContact CD-CH2 4.43Å; K483-W515 HydrophobicContact CD-CZ3 4.12Å; K483-W515 HydrophobicContact CG-CH2 4.41Å; K483-W515 HydrophobicContact CG-CZ3 4.45Å; K483-W515 PolarHBondContact NZ-O 3.35Å; R485-W515 HydrophobicContact CG-CZ2 4.12Å; H490-W515 HydrophobicContact CB-CH2 3.91Å; H490-W515 HydrophobicContact CB-CZ3 4.09Å; H490-W515 AromaticContact CD2-CH2 3.98Å; H490-W515 AromaticContact CD2-CZ3 3.56Å; H490-W515 AromaticContact CE1-CH2 3.98Å; H490-W515 AromaticContact CG-CH2 3.56Å; H490-W515 AromaticContact CG-CZ3 3.6Å; H490-W515 AromaticContact ND1-CH2 3.56Å; H490-W515 AromaticContact ND1-CZ3 3.92Å; H490-W515 AromaticContact NE2-CZ3 3.83Å; V493-W515 HydrophobicContact CG1-CB 4.39Å; V493-W515 HydrophobicContact CG1-CD2 3.82Å; V493-W515 HydrophobicContact CG1-CE3 4.09Å; V493-W515 HydrophobicContact CG1-CG 3.97Å; V493-W515 HydrophobicContact CG2-CD2 4.35Å; V493-W515 HydrophobicContact CG2-CE3 3.77Å; V493-W515 HydrophobicContact CG2-CZ3 3.88Å; W515-F542 CarbonylContact C-O 3.56Å; W515-F542 VanDerWaalsContact CA-O 3.28Å; W515-F542 WeakPolarHBondContact CA-O 3.45Å; W515-Y543 HydrophobicContact CB-CD1 3.59Å; W515-Y543 HydrophobicContact CB-CE1 3.64Å; W515-Y543 HydrophobicContact CB-CG 4.45Å; W515-Y543 HydrophobicContact CG-CE1 4.32Å; W515-Y596 AromaticContact CD1-CD1 3.99Å; W515-Y596 AromaticContact CD1-CE1 3.83Å; W515-Y596 HydrophobicContact CD2-CD1 4.32Å; W515-Y596 AromaticContact CD2-CE1 3.91Å; W515-Y596 HydrophobicContact CD2-CE1 3.91Å; W515-Y596 AromaticContact CE2-CD1 3.55Å; W515-Y596 AromaticContact CE2-CE1 3.63Å; W515-Y596 HydrophobicContact CG-CE1 4.05Å; W515-Y596 AromaticContact CZ2-CD1 3.85Å; W515-Y596 HydrophobicContact CZ2-CD1 3.85Å; W515-Y596 HydrophobicContact CZ2-CE1 4.16Å; W515-Y596 PolarHBondContact N-OH 3.3Å; W515-Y596 AromaticContact NE1-CD1 3.32Å; W515-Y596 VanDerWaalsContact NE1-CD1 3.32Å; W515-Y596 AromaticContact NE1-CE1 3.56Å; W515-D599 PolarHBondContact NE1-OD1 3.12Å; W515-D599 PolarHBondContact NE1-OD2 2.97Å
516	D	94.3	Very high	91.5	Very high	18 Å²	18	46.9 Å²	46.9	10%	0.096	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.4	170.1	-60	-55.3	0	0	0	108.7	K483 K518 T520 P541 F542 Y554	K483-D516 IonicContact NZ-OD1 2.63Å; K483-D516 PolarHBondContact NZ-OD1 3.23Å; D516-K518 WeakPolarHBondContact CB-O 3.25Å; D516-K518 PolarHBondContact O-N 3.1Å; D516-T520 HydrophobicContact CB-CG2 3.86Å; D516-T520 PolarHBondContact OD2-OG1 2.93Å; D516-T520 VanDerWaalsContact OD2-OG1 3.11Å; D516-P541 CarbonylContact O-C 3.58Å; D516-P541 VanDerWaalsContact O-CA 3.25Å; D516-P541 WeakPolarHBondContact O-CA 3.2Å; D516-F542 PolarHBondContact N-O 3.32Å; D516-F542 PolarHBondContact O-N 2.81Å; D516-Y554 WeakPolarHBondContact CB-OH 3.45Å; D516-Y554 WeakPolarHBondContact OD2-CE2 3.22Å; D516-Y554 PolarHBondContact OD2-OH 3.47Å
517	P	94.1	Very high	91.3	Very high	31 Å²	31	47 Å²	47	20%	0.201	25%	0.246	C	C	.	.	S	Bend	trans	-65.7	-20.6	179.3	26.4	-34.4	0	0	0	113.3	E489 Q540 P541	E489-P517 WeakPolarHBondContact O-CB 3.26Å; P517-Q540 CarbonylContact O-C 3.28Å; P517-Q540 VanDerWaalsContact O-C 3.28Å; P517-P541 WeakPolarHBondContact O-CA 3.5Å
518	K	93.3	Very high	90.9	Very high	117 Å²	117	50.1 Å²	50.1	51%	0.509	26%	0.258	S	S	.	.	S	Bend	trans	-142.9	162.6	177.1	-60.3	-176.1	-178.4	174.8	0	109.3	D516 T520 Q540	D516-K518 WeakPolarHBondContact CB-O 3.25Å; D516-K518 PolarHBondContact O-N 3.1Å; K518-T520 PolarHBondContact O-N 3.36Å; K518-Q540 WeakPolarHBondContact CA-O 3.4Å
519	C	89.9	Confident	90.4	Very high	21 Å²	21	53.8 Å²	53.8	14%	0.142	28%	0.278	C	S	.	.			trans	-61.8	122.2	175.3	-171.7	0	0	0	0	111.1	A538 F542	C519-A538 HydrophobicContact CB-CB 3.98Å; C519-A538 WeakPolarHBondContact CB-O 3.4Å; C519-A538 PolarHBondContact N-O 3.41Å; C519-F542 HydrophobicContact CB-CD2 3.8Å; C519-F542 HydrophobicContact CB-CE2 3.67Å; C519-F542 HydrophobicContact CB-CG 4.38Å; C519-F542 HydrophobicContact CB-CZ 4.11Å
520	T	88.5	Confident	90	Very high	85 Å²	85	59.8 Å²	59.8	52%	0.521	30%	0.298	S	S	.	.			trans	-100.8	1.1	179.1	56.4	0	0	0	0	113.5	D516 K518 Y554	D516-T520 HydrophobicContact CB-CG2 3.86Å; D516-T520 PolarHBondContact OD2-OG1 2.93Å; D516-T520 VanDerWaalsContact OD2-OG1 3.11Å; K518-T520 PolarHBondContact O-N 3.36Å; T520-Y554 PolarHBondContact N-OH 3.45Å; T520-Y554 PolarHBondContact OG1-OH 3.13Å
521	M	85	Confident	89.6	Confident	68 Å²	68	60 Å²	60	34%	0.335	30%	0.3	S	S	.	.	S	Bend	trans	-75.9	160.4	-178.1	-64.3	-62.6	106.2	0	0	112.4	W525 Y554	M521-W525 HydrophobicContact CB-CB 4.07Å; M521-W525 HydrophobicContact CB-CD2 3.7Å; M521-W525 HydrophobicContact CB-CE3 3.45Å; M521-W525 VanDerWaalsContact CB-CE3 3.45Å; M521-W525 HydrophobicContact CB-CG 3.99Å; M521-W525 HydrophobicContact CB-CZ3 4.14Å; M521-W525 HydrophobicContact CG-CD2 3.78Å; M521-W525 HydrophobicContact CG-CE3 3.68Å; M521-W525 HydrophobicContact CG-CG 4.31Å; M521-W525 HydrophobicContact CG-CH2 4.39Å; M521-W525 HydrophobicContact CG-CZ2 4.45Å; M521-W525 HydrophobicContact CG-CZ3 4Å; M521-Y554 HydrophobicContact CE-CE1 4.45Å; M521-Y554 HydrophobicContact CG-CD1 3.61Å; M521-Y554 HydrophobicContact CG-CE1 3.68Å; M521-Y554 HydrophobicContact CG-CG 4.44Å
522	S	82.8	Confident	89.1	Confident	70 Å²	70	65.7 Å²	65.7	49%	0.49	33%	0.326	S	S	.	.			trans	-61.8	155	178.5	71.4	0	0	0	0	112.2	E524 W525 I526	S522-E524 PolarHBondContact O-N 3.48Å; S522-W525 WeakPolarHBondContact O-CB 3.19Å; S522-W525 PolarHBondContact O-N 3.35Å; S522-W525 PolarHBondContact OG-N 3.24Å; S522-I526 WeakPolarHBondContact O-CG1 3.27Å; S522-I526 PolarHBondContact O-N 3.38Å
523	Q	81.9	Confident	88.7	Confident	122 Å²	122	71.6 Å²	71.6	57%	0.57	35%	0.354	S	S	*	.	H	α-helix	trans	-58.5	-35.1	177.8	-170.6	60.3	50.4	0	0	112.5	I526 N527	Q523-I526 PolarHBondContact O-N 3.04Å; Q523-N527 PolarHBondContact NE2-OD1 2.91Å; Q523-N527 WeakPolarHBondContact O-CB 3.45Å; Q523-N527 PolarHBondContact O-N 3.14Å; Q523-N527 PolarHBondContact O-ND2 3.36Å; Q523-N527 PolarHBondContact O-OD1 3.07Å
524	E	80.6	Confident	88.5	Confident	150 Å²	150	71.1 Å²	71.1	70%	0.701	35%	0.354	S	S	*	.	H	α-helix	trans	-61.4	-44.8	174.9	-176	178.8	-170.2	0	0	111.7	S522 N527 T528	S522-E524 PolarHBondContact O-N 3.48Å; E524-N527 PolarHBondContact O-N 2.88Å; E524-T528 WeakPolarHBondContact O-CB 3.32Å; E524-T528 PolarHBondContact O-N 3.07Å; E524-T528 PolarHBondContact O-OG1 3.09Å
525	W	86.1	Confident	88.3	Confident	68 Å²	68	75.9 Å²	75.9	26%	0.258	39%	0.387	S	S	.	.	H	α-helix	trans	-64.8	-45	176.2	-173.1	97.1	0	0	0	111.4	M521 S522 N527 T528 M529 V531 Y554	M521-W525 HydrophobicContact CB-CB 4.07Å; M521-W525 HydrophobicContact CB-CD2 3.7Å; M521-W525 HydrophobicContact CB-CE3 3.45Å; M521-W525 VanDerWaalsContact CB-CE3 3.45Å; M521-W525 HydrophobicContact CB-CG 3.99Å; M521-W525 HydrophobicContact CB-CZ3 4.14Å; M521-W525 HydrophobicContact CG-CD2 3.78Å; M521-W525 HydrophobicContact CG-CE3 3.68Å; M521-W525 HydrophobicContact CG-CG 4.31Å; M521-W525 HydrophobicContact CG-CH2 4.39Å; M521-W525 HydrophobicContact CG-CZ2 4.45Å; M521-W525 HydrophobicContact CG-CZ3 4Å; S522-W525 WeakPolarHBondContact O-CB 3.19Å; S522-W525 PolarHBondContact O-N 3.35Å; S522-W525 PolarHBondContact OG-N 3.24Å; W525-N527 VanDerWaalsContact C-N 3.27Å; W525-N527 PolarHBondContact O-N 3.49Å; W525-T528 PolarHBondContact O-N 2.95Å; W525-M529 HydrophobicContact CD2-CB 4.35Å; W525-M529 HydrophobicContact CD2-CG 3.72Å; W525-M529 VanDerWaalsContact CE2-CG 3.46Å; W525-M529 HydrophobicContact CE3-CB 4.17Å; W525-M529 HydrophobicContact CE3-CG 4.04Å; W525-M529 HydrophobicContact CG-CG 4.33Å; W525-M529 HydrophobicContact CH2-CB 4.09Å; W525-M529 HydrophobicContact CH2-CG 3.89Å; W525-M529 HydrophobicContact CZ2-CB 4.29Å; W525-M529 HydrophobicContact CZ2-CE 4.25Å; W525-M529 HydrophobicContact CZ2-CG 3.57Å; W525-M529 HydrophobicContact CZ3-CB 4.04Å; W525-M529 HydrophobicContact CZ3-CG 4.12Å; W525-M529 WeakPolarHBondContact O-CB 3.47Å; W525-M529 WeakPolarHBondContact O-CG 3.47Å; W525-M529 PolarHBondContact O-N 3.07Å; W525-V531 HydrophobicContact CE3-CG2 4.42Å; W525-V531 HydrophobicContact CZ3-CG2 3.79Å; W525-Y554 AromaticContact CH2-CD1 3.77Å; W525-Y554 HydrophobicContact CH2-CD1 3.77Å; W525-Y554 HydrophobicContact CZ2-CD1 4.29Å; W525-Y554 HydrophobicContact CZ3-CD1 4.15Å
526	I	85	Confident	87.9	Confident	19 Å²	19	79.2 Å²	79.2	10%	0.097	41%	0.41	C	S	.	.	H	α-helix	trans	-56.4	-42.6	176.9	-72.3	174.4	0	0	0	111.1	S522 Q523 R530 V531	S522-I526 WeakPolarHBondContact O-CG1 3.27Å; S522-I526 PolarHBondContact O-N 3.38Å; Q523-I526 PolarHBondContact O-N 3.04Å; I526-R530 PolarHBondContact O-N 3.19Å; I526-R530 VanDerWaalsContact O-N 3.13Å; I526-V531 HydrophobicContact CB-CB 4.49Å; I526-V531 HydrophobicContact CG2-CB 3.9Å; I526-V531 HydrophobicContact CG2-CG1 4.35Å; I526-V531 PolarHBondContact O-N 2.93Å
527	N	86	Confident	87.8	Confident	84 Å²	84	79.2 Å²	79.2	45%	0.449	41%	0.414	S	S	.	.	H	α-helix	trans	-69	-47.1	177.9	-69	-14.2	0	0	0	111.4	Q523 E524 W525 M529 R530	Q523-N527 PolarHBondContact NE2-OD1 2.91Å; Q523-N527 WeakPolarHBondContact O-CB 3.45Å; Q523-N527 PolarHBondContact O-N 3.14Å; Q523-N527 PolarHBondContact O-ND2 3.36Å; Q523-N527 PolarHBondContact O-OD1 3.07Å; E524-N527 PolarHBondContact O-N 2.88Å; W525-N527 VanDerWaalsContact C-N 3.27Å; W525-N527 PolarHBondContact O-N 3.49Å; N527-M529 PolarHBondContact O-N 3.24Å; N527-R530 PolarHBondContact O-N 2.95Å
528	T	86.8	Confident	87.7	Confident	100 Å²	100	79.3 Å²	79.3	61%	0.613	42%	0.417	S	S	*	.	H	α-helix	trans	-59.8	-46.9	179.7	-60.2	0	0	0	0	111.7	E524 W525 R530	E524-T528 WeakPolarHBondContact O-CB 3.32Å; E524-T528 PolarHBondContact O-N 3.07Å; E524-T528 PolarHBondContact O-OG1 3.09Å; W525-T528 PolarHBondContact O-N 2.95Å; T528-R530 PolarHBondContact O-N 2.59Å
529	M	84.6	Confident	87.7	Confident	110 Å²	110	79.2 Å²	79.2	54%	0.542	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	3	178.6	-63	-60.3	-71.2	0	0	113.1	W525 N527 V531	W525-M529 HydrophobicContact CD2-CB 4.35Å; W525-M529 HydrophobicContact CD2-CG 3.72Å; W525-M529 VanDerWaalsContact CE2-CG 3.46Å; W525-M529 HydrophobicContact CE3-CB 4.17Å; W525-M529 HydrophobicContact CE3-CG 4.04Å; W525-M529 HydrophobicContact CG-CG 4.33Å; W525-M529 HydrophobicContact CH2-CB 4.09Å; W525-M529 HydrophobicContact CH2-CG 3.89Å; W525-M529 HydrophobicContact CZ2-CB 4.29Å; W525-M529 HydrophobicContact CZ2-CE 4.25Å; W525-M529 HydrophobicContact CZ2-CG 3.57Å; W525-M529 HydrophobicContact CZ3-CB 4.04Å; W525-M529 HydrophobicContact CZ3-CG 4.12Å; W525-M529 WeakPolarHBondContact O-CB 3.47Å; W525-M529 WeakPolarHBondContact O-CG 3.47Å; W525-M529 PolarHBondContact O-N 3.07Å; N527-M529 PolarHBondContact O-N 3.24Å; M529-V531 HydrophobicContact CB-CG2 4.24Å; M529-V531 PolarHBondContact O-N 3.28Å
530	R	90	Very high	87.9	Confident	154 Å²	154	78.7 Å²	78.7	58%	0.581	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.8	176.8	-57.4	179.9	-177.6	175.6	1.3	113.4	I526 N527 T528 H532 Q533	I526-R530 PolarHBondContact O-N 3.19Å; I526-R530 VanDerWaalsContact O-N 3.13Å; N527-R530 PolarHBondContact O-N 2.95Å; T528-R530 PolarHBondContact O-N 2.59Å; R530-H532 PolarHBondContact O-N 2.87Å; R530-H532 VanDerWaalsContact O-N 3.12Å; R530-Q533 HydrophobicContact CB-CG 4.09Å; R530-Q533 WeakPolarHBondContact O-CB 3.39Å; R530-Q533 PolarHBondContact O-N 3.04Å
531	V	88.3	Confident	88.4	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.024	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-58.7	-27.6	179.7	170.7	0	0	0	0	111.7	W525 I526 M529 Q533 L534 A538 F542	W525-V531 HydrophobicContact CE3-CG2 4.42Å; W525-V531 HydrophobicContact CZ3-CG2 3.79Å; I526-V531 HydrophobicContact CB-CB 4.49Å; I526-V531 HydrophobicContact CG2-CB 3.9Å; I526-V531 HydrophobicContact CG2-CG1 4.35Å; I526-V531 PolarHBondContact O-N 2.93Å; M529-V531 HydrophobicContact CB-CG2 4.24Å; M529-V531 PolarHBondContact O-N 3.28Å; V531-Q533 PolarHBondContact O-N 2.8Å; V531-L534 HydrophobicContact CB-CD1 4.48Å; V531-L534 HydrophobicContact CG1-CD1 4.22Å; V531-L534 WeakPolarHBondContact O-CB 3.41Å; V531-L534 PolarHBondContact O-N 2.94Å; V531-L534 VanDerWaalsContact O-N 3.14Å; V531-A538 HydrophobicContact CG1-CB 3.8Å; V531-F542 HydrophobicContact CG1-CZ 3.87Å; V531-F542 HydrophobicContact CG2-CE1 4.47Å; V531-F542 HydrophobicContact CG2-CZ 4.45Å
532	H	87.3	Confident	88.9	Confident	120 Å²	120	71.6 Å²	71.6	56%	0.556	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-64.5	-17.3	174.1	62.4	-87.3	0	0	0	114.3	R530	R530-H532 PolarHBondContact O-N 2.87Å; R530-H532 VanDerWaalsContact O-N 3.12Å
533	Q	90.6	Very high	89.6	Confident	125 Å²	125	68.3 Å²	68.3	58%	0.584	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-91.1	-4.7	177.1	-56.2	-176.2	-6.2	0	0	112.6	R530 V531	R530-Q533 HydrophobicContact CB-CG 4.09Å; R530-Q533 WeakPolarHBondContact O-CB 3.39Å; R530-Q533 PolarHBondContact O-N 3.04Å; V531-Q533 PolarHBondContact O-N 2.8Å
534	L	91.1	Very high	90.2	Very high	26 Å²	26	64.2 Å²	64.2	14%	0.136	34%	0.337	C	S	.	.	S	Bend	trans	-74.3	144.5	174.4	-69.3	-176	0	0	0	110.2	V531 S536 G537 F542 A556 E558	V531-L534 HydrophobicContact CB-CD1 4.48Å; V531-L534 HydrophobicContact CG1-CD1 4.22Å; V531-L534 WeakPolarHBondContact O-CB 3.41Å; V531-L534 PolarHBondContact O-N 2.94Å; V531-L534 VanDerWaalsContact O-N 3.14Å; L534-S536 PolarHBondContact O-N 2.9Å; L534-G537 PolarHBondContact O-N 2.84Å; L534-G537 VanDerWaalsContact O-N 3.09Å; L534-F542 HydrophobicContact CD1-CZ 4.23Å; L534-A556 HydrophobicContact CD1-CB 3.65Å; L534-E558 VanDerWaalsContact CB-OE1 3.26Å; L534-E558 WeakPolarHBondContact CB-OE1 3.24Å
535	S	90.9	Very high	91	Very high	102 Å²	102	57 Å²	57	71%	0.713	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-37.8	-174.2	-26.6	0	0	0	0	111.8	E558	S535-E558 VanDerWaalsContact CB-OE2 3.28Å; S535-E558 WeakPolarHBondContact CB-OE2 3.49Å; S535-E558 PolarHBondContact N-OE1 2.85Å; S535-E558 PolarHBondContact N-OE2 2.87Å; S535-E558 PolarHBondContact OG-OE2 2.99Å
536	S	89.5	Confident	91.4	Very high	70 Å²	70	53.8 Å²	53.8	49%	0.49	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	7.6	-180	-53.9	0	0	0	0	113.2	L534 E558	L534-S536 PolarHBondContact O-N 2.9Å; S536-E558 PolarHBondContact N-OE1 3.23Å
537	G	91.9	Very high	91.8	Very high	17 Å²	17	53 Å²	53	18%	0.175	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	55.9	-150.2	174.9	0	0	0	0	0	114.9	L534 Q540	L534-G537 PolarHBondContact O-N 2.84Å; L534-G537 VanDerWaalsContact O-N 3.09Å; G537-Q540 WeakPolarHBondContact O-CG 3.38Å; G537-Q540 PolarHBondContact O-NE2 3.16Å
538	A	92.1	Very high	92.1	Very high	33 Å²	33	53.5 Å²	53.5	27%	0.273	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-84.7	-10.7	-179	0	0	0	0	0	114.4	C519 V531	C519-A538 HydrophobicContact CB-CB 3.98Å; C519-A538 WeakPolarHBondContact CB-O 3.4Å; C519-A538 PolarHBondContact N-O 3.41Å; V531-A538 HydrophobicContact CG1-CB 3.8Å
539	N	92.8	Very high	92.1	Very high	116 Å²	116	52.8 Å²	52.8	62%	0.62	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-86.3	-6.2	-176.3	-74.1	-36	0	0	0	113.8
540	Q	95.1	Very high	92.1	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.047	26%	0.264	C	S	.	.	S	Bend	trans	-80.8	165.6	171.7	73.4	-175.3	-65.6	0	0	111.5	P517 K518 G537 F542 E558	P517-Q540 CarbonylContact O-C 3.28Å; P517-Q540 VanDerWaalsContact O-C 3.28Å; K518-Q540 WeakPolarHBondContact CA-O 3.4Å; G537-Q540 WeakPolarHBondContact O-CG 3.38Å; G537-Q540 PolarHBondContact O-NE2 3.16Å; Q540-F542 HydrophobicContact CG-CD2 4.25Å; Q540-F542 HydrophobicContact CG-CE2 3.71Å; Q540-F542 HydrophobicContact CG-CZ 4.44Å; Q540-F542 WeakPolarHBondContact O-CD2 3.47Å; Q540-E558 PolarHBondContact NE2-OE1 3.38Å
541	P	97.2	Very high	91.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	25%	0.252	C	S	.	.			trans	-64	146.3	171.9	-23.7	34.5	0	0	0	114.3	E492 V493 D516 P517 Y543 Q557	E492-P541 HydrophobicContact CB-CG 4.15Å; E492-P541 WeakPolarHBondContact O-CG 3.31Å; V493-P541 HydrophobicContact CG2-CB 4.17Å; V493-P541 HydrophobicContact CG2-CG 4.05Å; D516-P541 CarbonylContact O-C 3.58Å; D516-P541 VanDerWaalsContact O-CA 3.25Å; D516-P541 WeakPolarHBondContact O-CA 3.2Å; P517-P541 WeakPolarHBondContact O-CA 3.5Å; P541-Y543 HydrophobicContact CB-CE2 4.23Å; P541-Q557 HydrophobicContact CB-CB 4.32Å; P541-Q557 WeakPolarHBondContact O-CB 3.41Å; P541-Q557 PolarHBondContact O-N 3.19Å
542	F	97.2	Very high	91.8	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.013	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150.9	173.5	-78.6	-108	0	0	0	110.7	W515 D516 C519 V531 L534 Q540 Y554 A555 A556	W515-F542 CarbonylContact C-O 3.56Å; W515-F542 VanDerWaalsContact CA-O 3.28Å; W515-F542 WeakPolarHBondContact CA-O 3.45Å; D516-F542 PolarHBondContact N-O 3.32Å; D516-F542 PolarHBondContact O-N 2.81Å; C519-F542 HydrophobicContact CB-CD2 3.8Å; C519-F542 HydrophobicContact CB-CE2 3.67Å; C519-F542 HydrophobicContact CB-CG 4.38Å; C519-F542 HydrophobicContact CB-CZ 4.11Å; V531-F542 HydrophobicContact CG1-CZ 3.87Å; V531-F542 HydrophobicContact CG2-CE1 4.47Å; V531-F542 HydrophobicContact CG2-CZ 4.45Å; L534-F542 HydrophobicContact CD1-CZ 4.23Å; Q540-F542 HydrophobicContact CG-CD2 4.25Å; Q540-F542 HydrophobicContact CG-CE2 3.71Å; Q540-F542 HydrophobicContact CG-CZ 4.44Å; Q540-F542 WeakPolarHBondContact O-CD2 3.47Å; F542-Y554 HydrophobicContact CB-CD1 4.14Å; F542-Y554 HydrophobicContact CB-CD2 4.36Å; F542-Y554 HydrophobicContact CB-CE1 3.43Å; F542-Y554 VanDerWaalsContact CB-CE1 3.43Å; F542-Y554 HydrophobicContact CB-CE2 3.71Å; F542-Y554 WeakPolarHBondContact CB-OH 3.49Å; F542-Y554 AromaticContact CD1-CD1 3.71Å; F542-Y554 HydrophobicContact CD1-CD1 3.71Å; F542-Y554 AromaticContact CD1-CE1 3.54Å; F542-Y554 HydrophobicContact CD1-CE1 3.54Å; F542-Y554 HydrophobicContact CE1-CE1 4.48Å; F542-Y554 HydrophobicContact CG-CD1 4.24Å; F542-Y554 AromaticContact CG-CE1 3.63Å; F542-Y554 HydrophobicContact CG-CE1 3.63Å; F542-Y554 AromaticContact CG-CZ 3.96Å; F542-A555 CarbonylContact C-O 3.5Å; F542-A555 WeakPolarHBondContact CA-O 3.26Å; F542-A556 HydrophobicContact CD1-CB 4.08Å; F542-A556 HydrophobicContact CE1-CB 3.6Å; F542-A556 HydrophobicContact CE2-CB 4.38Å; F542-A556 HydrophobicContact CZ-CB 3.75Å
543	Y	97.4	Very high	91.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.9	-172.3	-64	-88.2	0	0	0	111.1	V493 Q494 Y495 I512 G514 W515 P541 Y554 A555 Q557 L560	V493-Y543 HydrophobicContact CG1-CE1 4.17Å; V493-Y543 WeakPolarHBondContact CG1-OH 3.38Å; Q494-Y543 PolarHBondContact N-OH 2.9Å; Y495-Y543 HydrophobicContact CD2-CE1 4.47Å; Y495-Y543 AromaticContact CD2-CE2 3.89Å; Y495-Y543 HydrophobicContact CD2-CE2 3.89Å; Y495-Y543 AromaticContact CD2-CZ 3.82Å; Y495-Y543 PolarHBondContact N-OH 2.8Å; I512-Y543 HydrophobicContact CD1-CD1 3.72Å; I512-Y543 HydrophobicContact CD1-CE1 4.1Å; I512-Y543 HydrophobicContact CD1-CG 4.28Å; I512-Y543 HydrophobicContact CG1-CD1 4.14Å; I512-Y543 HydrophobicContact CG2-CD1 3.75Å; G514-Y543 WeakPolarHBondContact O-CA 3.42Å; W515-Y543 HydrophobicContact CB-CD1 3.59Å; W515-Y543 HydrophobicContact CB-CE1 3.64Å; W515-Y543 HydrophobicContact CB-CG 4.45Å; W515-Y543 HydrophobicContact CG-CE1 4.32Å; P541-Y543 HydrophobicContact CB-CE2 4.23Å; Y543-Y554 CarbonylContact O-C 3.54Å; Y543-Y554 WeakPolarHBondContact O-CA 3.31Å; Y543-A555 PolarHBondContact N-O 3.48Å; Y543-A555 PolarHBondContact O-N 3.26Å; Y543-Q557 HydrophobicContact CD2-CB 4.45Å; Y543-Q557 HydrophobicContact CE2-CB 3.73Å; Y543-Q557 HydrophobicContact CE2-CG 3.92Å; Y543-Q557 PolarHBondContact OH-OE1 3.42Å; Y543-L560 HydrophobicContact CD2-CD1 3.78Å; Y543-L560 HydrophobicContact CG-CD1 3.94Å
544	N	94.8	Very high	91.9	Very high	36 Å²	36	40.6 Å²	40.6	19%	0.193	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.6	166.8	-67.4	-74.9	0	0	0	108.1	Y513 G514 Y554	Y513-N544 VanDerWaalsContact CD1-C 3.43Å; Y513-N544 HydrophobicContact CD1-CB 4.06Å; Y513-N544 WeakPolarHBondContact CD1-O 3.37Å; Y513-N544 HydrophobicContact CD2-CB 4.27Å; Y513-N544 HydrophobicContact CE1-CB 3.62Å; Y513-N544 HydrophobicContact CE2-CB 3.82Å; Y513-N544 HydrophobicContact CG-CB 4.4Å; Y513-N544 VanDerWaalsContact CZ-CB 3.5Å; Y513-N544 PolarHBondContact N-O 2.99Å; G514-N544 PolarHBondContact N-O 2.98Å; G514-N544 PolarHBondContact O-N 3.43Å; N544-Y554 WeakPolarHBondContact OD1-CD2 3.45Å
545	V	95.8	Very high	92.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.8	-173.1	-57.6	0	0	0	0	112.7	Y508 C510 V511 I512 V547 C552 R553 A555 L560	Y508-V545 HydrophobicContact CE2-CG2 4.38Å; C510-V545 HydrophobicContact CB-CB 3.87Å; C510-V545 HydrophobicContact CB-CG2 4.1Å; V511-V545 VanDerWaalsContact O-CA 3.31Å; V511-V545 WeakPolarHBondContact O-CA 3.31Å; I512-V545 HydrophobicContact CG1-CG1 4.04Å; V545-V547 HydrophobicContact CG2-CG2 4.1Å; V545-C552 WeakPolarHBondContact O-CA 3.26Å; V545-R553 HydrophobicContact CG2-CB 3.89Å; V545-R553 WeakPolarHBondContact CG2-O 3.4Å; V545-R553 PolarHBondContact N-O 3.08Å; V545-R553 PolarHBondContact O-N 3.4Å; V545-A555 HydrophobicContact CG2-CB 4.46Å; V545-L560 HydrophobicContact CG1-CD1 4.23Å
546	L	95.1	Very high	92.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.7	170.5	-57.8	179.8	0	0	0	108.7	C510 V511 Y513 C552 H571 E573 V574 Y577 F578	C510-L546 CarbonylContact C-O 3.59Å; C510-L546 WeakPolarHBondContact CA-O 3.37Å; C510-L546 WeakPolarHBondContact CB-O 3.47Å; V511-L546 HydrophobicContact CG1-CB 3.83Å; V511-L546 HydrophobicContact CG1-CD1 4.18Å; V511-L546 HydrophobicContact CG1-CG 4.35Å; V511-L546 PolarHBondContact N-O 2.91Å; V511-L546 PolarHBondContact O-N 3.31Å; Y513-L546 HydrophobicContact CD1-CD1 4.5Å; Y513-L546 HydrophobicContact CD1-CD2 3.7Å; Y513-L546 HydrophobicContact CD1-CG 3.58Å; Y513-L546 HydrophobicContact CE1-CD2 3.63Å; Y513-L546 HydrophobicContact CE1-CG 4.02Å; Y513-L546 HydrophobicContact CG-CD2 4.42Å; Y513-L546 HydrophobicContact CG-CG 4.26Å; L546-C552 VanDerWaalsContact CD2-SG 3.58Å; L546-H571 HydrophobicContact CB-CB 4.06Å; L546-E573 HydrophobicContact CD2-CB 4.37Å; L546-V574 HydrophobicContact CD1-CB 4.4Å; L546-V574 HydrophobicContact CD1-CG2 3.79Å; L546-Y577 HydrophobicContact CD1-CD2 3.95Å; L546-Y577 HydrophobicContact CD1-CE2 4.44Å; L546-Y577 HydrophobicContact CD2-CE2 4.25Å; L546-F578 HydrophobicContact CD1-CE2 4.35Å
547	V	93.5	Very high	92.7	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	147.4	-172.8	-175.4	0	0	0	0	111.8	Y508 C510 V545 D549 G550 T551 R553 H571	Y508-V547 HydrophobicContact CD2-CB 4.3Å; Y508-V547 HydrophobicContact CD2-CG1 3.54Å; Y508-V547 HydrophobicContact CD2-CG2 3.79Å; Y508-V547 HydrophobicContact CE2-CG1 4.31Å; Y508-V547 HydrophobicContact CE2-CG2 3.71Å; Y508-V547 HydrophobicContact CG-CG1 3.82Å; C510-V547 HydrophobicContact CB-CB 4.47Å; C510-V547 HydrophobicContact CB-CG2 4.03Å; V545-V547 HydrophobicContact CG2-CG2 4.1Å; V547-D549 VanDerWaalsContact CB-OD1 3.3Å; V547-D549 WeakPolarHBondContact CB-OD1 3.28Å; V547-D549 VanDerWaalsContact CG1-OD1 3.26Å; V547-D549 WeakPolarHBondContact CG1-OD1 3.39Å; V547-D549 PolarHBondContact O-N 3.44Å; V547-G550 PolarHBondContact O-N 3.43Å; V547-T551 VanDerWaalsContact CB-O 3.29Å; V547-T551 WeakPolarHBondContact CB-O 3.49Å; V547-T551 WeakPolarHBondContact CG2-O 3.49Å; V547-T551 PolarHBondContact N-O 3.37Å; V547-R553 HydrophobicContact CG2-CB 4.19Å; V547-R553 HydrophobicContact CG2-CG 3.73Å; V547-H571 PolarHBondContact N-CD2 2.88Å; V547-H571 PolarHBondContact O-CD2 3.22Å
548	Q	92.7	Very high	93	Very high	94 Å²	94	33.3 Å²	33.3	44%	0.439	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.3	-179.1	-171	174.6	-1.3	0	0	114.4	N509 G550 I569	N509-Q548 HydrophobicContact CB-CB 4.49Å; N509-Q548 PolarHBondContact ND2-OE1 3.12Å; N509-Q548 PolarHBondContact O-N 2.92Å; Q548-G550 PolarHBondContact O-N 3.05Å; Q548-I569 HydrophobicContact CB-CG2 4.49Å
549	D	85.9	Confident	93.2	Very high	85 Å²	85	32.5 Å²	32.5	46%	0.455	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-5.2	175	66.1	5.2	0	0	0	114	V547 T551 R553	V547-D549 VanDerWaalsContact CB-OD1 3.3Å; V547-D549 WeakPolarHBondContact CB-OD1 3.28Å; V547-D549 VanDerWaalsContact CG1-OD1 3.26Å; V547-D549 WeakPolarHBondContact CG1-OD1 3.39Å; V547-D549 PolarHBondContact O-N 3.44Å; D549-T551 WeakPolarHBondContact OD1-CB 3.38Å; D549-T551 PolarHBondContact OD1-N 3.02Å; D549-T551 PolarHBondContact OD1-OG1 2.94Å; D549-T551 PolarHBondContact OD2-OG1 2.92Å; D549-R553 IonicContact OD2-CZ 3.53Å; D549-R553 IonicContact OD2-NH2 2.7Å; D549-R553 PolarHBondContact OD2-NH2 2.93Å
550	G	84.4	Confident	93.4	Very high	23 Å²	23	27 Å²	27	24%	0.237	14%	0.144	C	C	.	.	S	Bend	trans	89.3	9.1	-178.2	0	0	0	0	0	114.6	V547 Q548 H571	V547-G550 PolarHBondContact O-N 3.43Å; Q548-G550 PolarHBondContact O-N 3.05Å; G550-H571 VanDerWaalsContact C-NE2 3.33Å; G550-H571 PolarHBondContact O-NE2 2.94Å
551	T	83.8	Confident	93.5	Very high	52 Å²	52	30.1 Å²	30.1	32%	0.319	16%	0.158	S	C	.	.			trans	-92.7	145.3	173.6	63.3	0	0	0	0	111.9	V547 D549 R553 H571	V547-T551 VanDerWaalsContact CB-O 3.29Å; V547-T551 WeakPolarHBondContact CB-O 3.49Å; V547-T551 WeakPolarHBondContact CG2-O 3.49Å; V547-T551 PolarHBondContact N-O 3.37Å; D549-T551 WeakPolarHBondContact OD1-CB 3.38Å; D549-T551 PolarHBondContact OD1-N 3.02Å; D549-T551 PolarHBondContact OD1-OG1 2.94Å; D549-T551 PolarHBondContact OD2-OG1 2.92Å; T551-R553 PolarHBondContact OG1-NE 3.48Å; T551-H571 PolarHBondContact O-NE2 3.02Å
552	C	88.1	Confident	93.5	Very high	68 Å²	68	31.7 Å²	31.7	46%	0.459	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.7	164.2	-60.3	0	0	0	0	108.7	V545 L546	V545-C552 WeakPolarHBondContact O-CA 3.26Å; L546-C552 VanDerWaalsContact CD2-SG 3.58Å
553	R	88.9	Confident	93.4	Very high	88 Å²	88	32.7 Å²	32.7	33%	0.332	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156.8	179.9	-57.1	-172.5	-169	-165.3	-1.4	111.4	Y508 V545 V547 D549 T551	Y508-R553 VanDerWaalsContact CD1-NH1 3.29Å; Y508-R553 VanDerWaalsContact CE1-NH1 3.25Å; V545-R553 HydrophobicContact CG2-CB 3.89Å; V545-R553 WeakPolarHBondContact CG2-O 3.4Å; V545-R553 PolarHBondContact N-O 3.08Å; V545-R553 PolarHBondContact O-N 3.4Å; V547-R553 HydrophobicContact CG2-CB 4.19Å; V547-R553 HydrophobicContact CG2-CG 3.73Å; D549-R553 IonicContact OD2-CZ 3.53Å; D549-R553 IonicContact OD2-NH2 2.7Å; D549-R553 PolarHBondContact OD2-NH2 2.93Å; T551-R553 PolarHBondContact OG1-NE 3.48Å
554	Y	92.6	Very high	93.1	Very high	26 Å²	26	37.4 Å²	37.4	10%	0.102	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.6	173.4	-165.7	-119.3	0	0	0	109.1	D516 T520 M521 W525 F542 Y543 N544	D516-Y554 WeakPolarHBondContact CB-OH 3.45Å; D516-Y554 WeakPolarHBondContact OD2-CE2 3.22Å; D516-Y554 PolarHBondContact OD2-OH 3.47Å; T520-Y554 PolarHBondContact N-OH 3.45Å; T520-Y554 PolarHBondContact OG1-OH 3.13Å; M521-Y554 HydrophobicContact CE-CE1 4.45Å; M521-Y554 HydrophobicContact CG-CD1 3.61Å; M521-Y554 HydrophobicContact CG-CE1 3.68Å; M521-Y554 HydrophobicContact CG-CG 4.44Å; W525-Y554 AromaticContact CH2-CD1 3.77Å; W525-Y554 HydrophobicContact CH2-CD1 3.77Å; W525-Y554 HydrophobicContact CZ2-CD1 4.29Å; W525-Y554 HydrophobicContact CZ3-CD1 4.15Å; F542-Y554 HydrophobicContact CB-CD1 4.14Å; F542-Y554 HydrophobicContact CB-CD2 4.36Å; F542-Y554 HydrophobicContact CB-CE1 3.43Å; F542-Y554 VanDerWaalsContact CB-CE1 3.43Å; F542-Y554 HydrophobicContact CB-CE2 3.71Å; F542-Y554 WeakPolarHBondContact CB-OH 3.49Å; F542-Y554 AromaticContact CD1-CD1 3.71Å; F542-Y554 HydrophobicContact CD1-CD1 3.71Å; F542-Y554 AromaticContact CD1-CE1 3.54Å; F542-Y554 HydrophobicContact CD1-CE1 3.54Å; F542-Y554 HydrophobicContact CE1-CE1 4.48Å; F542-Y554 HydrophobicContact CG-CD1 4.24Å; F542-Y554 AromaticContact CG-CE1 3.63Å; F542-Y554 HydrophobicContact CG-CE1 3.63Å; F542-Y554 AromaticContact CG-CZ 3.96Å; Y543-Y554 CarbonylContact O-C 3.54Å; Y543-Y554 WeakPolarHBondContact O-CA 3.31Å; N544-Y554 WeakPolarHBondContact OD1-CD2 3.45Å
555	A	94.3	Very high	92.9	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.033	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.9	-167.3	0	0	0	0	0	111.9	F542 Y543 V545 L560	F542-A555 CarbonylContact C-O 3.5Å; F542-A555 WeakPolarHBondContact CA-O 3.26Å; Y543-A555 PolarHBondContact N-O 3.48Å; Y543-A555 PolarHBondContact O-N 3.26Å; V545-A555 HydrophobicContact CG2-CB 4.46Å; A555-L560 HydrophobicContact CB-CD1 4.01Å; A555-L560 HydrophobicContact CB-CD2 4.09Å; A555-L560 HydrophobicContact CB-CG 4.09Å
556	A	96.6	Very high	92.7	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.033	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	143.2	174.7	0	0	0	0	0	111.5	L534 F542 E558 N559	L534-A556 HydrophobicContact CD1-CB 3.65Å; F542-A556 HydrophobicContact CD1-CB 4.08Å; F542-A556 HydrophobicContact CE1-CB 3.6Å; F542-A556 HydrophobicContact CE2-CB 4.38Å; F542-A556 HydrophobicContact CZ-CB 3.75Å; A556-E558 VanDerWaalsContact C-N 3.29Å; A556-E558 HydrophobicContact CB-CG 4.46Å; A556-E558 PolarHBondContact O-N 3.2Å; A556-N559 PolarHBondContact O-N 2.89Å
557	Q	97.6	Very high	92.6	Very high	15 Å²	15	42.6 Å²	42.6	7%	0.07	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-49.2	-47.3	178.9	-175	156.8	-84.5	0	0	113	E492 Q494 Y495 P541 Y543 N559 L560	E492-Q557 PolarHBondContact O-NE2 3.06Å; E492-Q557 PolarHBondContact O-OE1 3.4Å; Q494-Q557 HydrophobicContact CB-CG 4.49Å; Q494-Q557 VanDerWaalsContact CD-NE2 3.34Å; Y495-Q557 HydrophobicContact CD2-CG 4.34Å; Y495-Q557 HydrophobicContact CE2-CG 4.06Å; P541-Q557 HydrophobicContact CB-CB 4.32Å; P541-Q557 WeakPolarHBondContact O-CB 3.41Å; P541-Q557 PolarHBondContact O-N 3.19Å; Y543-Q557 HydrophobicContact CD2-CB 4.45Å; Y543-Q557 HydrophobicContact CE2-CB 3.73Å; Y543-Q557 HydrophobicContact CE2-CG 3.92Å; Y543-Q557 PolarHBondContact OH-OE1 3.42Å; Q557-N559 PolarHBondContact O-N 3.12Å; Q557-N559 VanDerWaalsContact O-N 3.09Å; Q557-L560 PolarHBondContact O-N 3.4Å
558	E	96.4	Very high	92.7	Very high	39 Å²	39	46.2 Å²	46.2	18%	0.182	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-60.9	-24.9	-175.7	70.1	-179.2	114.4	0	0	113.8	K504 L534 S535 S536 Q540 A556	K504-E558 WeakPolarHBondContact CD-O 3.35Å; K504-E558 PolarHBondContact NZ-O 3.26Å; L534-E558 VanDerWaalsContact CB-OE1 3.26Å; L534-E558 WeakPolarHBondContact CB-OE1 3.24Å; S535-E558 VanDerWaalsContact CB-OE2 3.28Å; S535-E558 WeakPolarHBondContact CB-OE2 3.49Å; S535-E558 PolarHBondContact N-OE1 2.85Å; S535-E558 PolarHBondContact N-OE2 2.87Å; S535-E558 PolarHBondContact OG-OE2 2.99Å; S536-E558 PolarHBondContact N-OE1 3.23Å; Q540-E558 PolarHBondContact NE2-OE1 3.38Å; A556-E558 VanDerWaalsContact C-N 3.29Å; A556-E558 HydrophobicContact CB-CG 4.46Å; A556-E558 PolarHBondContact O-N 3.2Å
559	N	96.7	Very high	92.8	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.091	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-90.8	-4.2	-178.2	-70.9	-39.1	0	0	0	113.7	H503 K504 R505 A556 Q557	H503-N559 CarbonylContact C-O 3.07Å; H503-N559 WeakPolarHBondContact CA-O 3.41Å; K504-N559 PolarHBondContact N-O 2.59Å; R505-N559 PolarHBondContact NE-OD1 2.91Å; A556-N559 PolarHBondContact O-N 2.89Å; Q557-N559 PolarHBondContact O-N 3.12Å; Q557-N559 VanDerWaalsContact O-N 3.09Å
560	L	97.6	Very high	93	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.9	177.2	-65.4	177.4	0	0	0	111.1	Y495 M501 H503 K504 Y543 V545 A555 Q557	Y495-L560 HydrophobicContact CD2-CB 4.43Å; Y495-L560 HydrophobicContact CE2-CB 4.03Å; Y495-L560 PolarHBondContact OH-O 2.8Å; M501-L560 HydrophobicContact CB-CD2 4.35Å; M501-L560 HydrophobicContact CE-CB 3.87Å; H503-L560 HydrophobicContact CB-CD2 4.39Å; K504-L560 VanDerWaalsContact CE-O 3.23Å; K504-L560 WeakPolarHBondContact CE-O 3.48Å; K504-L560 PolarHBondContact NZ-O 2.9Å; Y543-L560 HydrophobicContact CD2-CD1 3.78Å; Y543-L560 HydrophobicContact CG-CD1 3.94Å; V545-L560 HydrophobicContact CG1-CD1 4.23Å; A555-L560 HydrophobicContact CB-CD1 4.01Å; A555-L560 HydrophobicContact CB-CD2 4.09Å; A555-L560 HydrophobicContact CB-CG 4.09Å; Q557-L560 PolarHBondContact O-N 3.4Å
561	E	97.2	Very high	93.3	Very high	75 Å²	75	40.2 Å²	40.2	35%	0.35	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	150.1	168.1	56.3	-172.6	-166.1	0	0	109.7	M501 K502 K504 H563	M501-E561 CarbonylContact C-O 3.51Å; M501-E561 VanDerWaalsContact CA-O 3.32Å; M501-E561 WeakPolarHBondContact CA-O 3.43Å; K502-E561 HydrophobicContact CB-CG 4.3Å; K502-E561 PolarHBondContact N-O 3.31Å; K502-E561 WeakPolarHBondContact O-CG 3.37Å; K502-E561 PolarHBondContact O-N 3.31Å; K504-E561 HydrophobicContact CG-CB 4.29Å; K504-E561 HydrophobicContact CG-CG 3.86Å; K504-E561 WeakPolarHBondContact CG-OE2 3.47Å; E561-H563 PolarHBondContact O-N 3.21Å
562	P	96.5	Very high	93.5	Very high	34 Å²	34	40.7 Å²	40.7	22%	0.221	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	140	172.7	-23.3	34.2	0	0	0	111.1	Y495 L499 M501 L610	Y495-P562 HydrophobicContact CD1-CG 4.48Å; Y495-P562 HydrophobicContact CE1-CG 3.98Å; L499-P562 HydrophobicContact CD2-CG 4.46Å; M501-P562 HydrophobicContact CE-CG 4.35Å; M501-P562 HydrophobicContact SD-CB 4.49Å; P562-L610 HydrophobicContact CB-CD1 3.39Å; P562-L610 HydrophobicContact CB-CD2 4.34Å; P562-L610 HydrophobicContact CG-CD1 4Å
563	H	95.6	Very high	93.5	Very high	24 Å²	24	38 Å²	38	11%	0.111	22%	0.224	C	C	.	.			trans	-64.8	140.1	177.7	-165.9	-85.9	0	0	0	110.1	I500 N509 E561 A565 Y611	I500-H563 HydrophobicContact CB-CB 4.32Å; I500-H563 HydrophobicContact CG2-CB 3.82Å; I500-H563 PolarHBondContact O-N 2.93Å; N509-H563 PolarHBondContact OD1-CD2 3.07Å; N509-H563 VanDerWaalsContact OD1-CD2 3.22Å; N509-H563 PolarHBondContact OD1-NE2 3.13Å; E561-H563 PolarHBondContact O-N 3.21Å; H563-A565 PolarHBondContact ND1-N 3.05Å; H563-A565 PolarHBondContact ND1-O 3.45Å; H563-A565 PolarHBondContact O-N 2.72Å; H563-A565 VanDerWaalsContact O-N 3.15Å; H563-Y611 PolarHBondContact O-OH 3.31Å
564	S	91.1	Very high	93.7	Very high	99 Å²	99	34.2 Å²	34.2	69%	0.692	21%	0.211	S	C	*	.	S	Bend	trans	-67.6	-14.7	-174.7	51	0	0	0	0	114.7
565	A	91.4	Very high	93.7	Very high	36 Å²	36	33.3 Å²	33.3	30%	0.298	21%	0.21	S	C	.	.	S	Bend	trans	-147.7	155	-177.6	0	0	0	0	0	110.9	H563 L567 Y611	H563-A565 PolarHBondContact ND1-N 3.05Å; H563-A565 PolarHBondContact ND1-O 3.45Å; H563-A565 PolarHBondContact O-N 2.72Å; H563-A565 VanDerWaalsContact O-N 3.15Å; A565-L567 PolarHBondContact O-N 2.97Å; A565-Y611 PolarHBondContact O-OH 2.83Å
566	P	90.6	Very high	93.6	Very high	60 Å²	60	34.2 Å²	34.2	39%	0.39	21%	0.212	S	C	.	.			trans	-56.2	126.7	171.6	-24.2	35	0	0	0	111.7	E583 T584 Y611	P566-E583 VanDerWaalsContact CB-O 3.23Å; P566-E583 WeakPolarHBondContact CB-O 3.2Å; P566-T584 HydrophobicContact CB-CG2 4.28Å; P566-T584 HydrophobicContact CG-CG2 3.96Å; P566-Y611 HydrophobicContact CG-CD2 3.98Å; P566-Y611 HydrophobicContact CG-CE2 4Å; P566-Y611 HydrophobicContact CG-CG 4.32Å
567	L	93.6	Very high	93.4	Very high	49 Å²	49	35.3 Å²	35.3	26%	0.257	22%	0.215	S	C	.	.			trans	-145.1	121.6	-178.5	179.5	66.8	0	0	0	111.8	I500 N509 A565 I569	I500-L567 VanDerWaalsContact CD1-O 3.28Å; I500-L567 WeakPolarHBondContact CD1-O 3.3Å; I500-L567 HydrophobicContact CG2-CB 4.37Å; N509-L567 HydrophobicContact CB-CD2 3.81Å; N509-L567 WeakPolarHBondContact ND2-CD2 3.43Å; A565-L567 PolarHBondContact O-N 2.97Å; L567-I569 HydrophobicContact CD2-CD1 4.15Å; L567-I569 HydrophobicContact CG-CD1 4.33Å; L567-I569 PolarHBondContact O-N 3.48Å
568	E	94.9	Very high	93.4	Very high	79 Å²	79	34.6 Å²	34.6	37%	0.369	21%	0.212	S	C	.	.			trans	-73.9	125	172.4	-165.6	175.6	165.5	0	0	110.3	R157 F581 Y586	R157-E568 IonicContact NE-OE2 3.08Å; E568-F581 HydrophobicContact CB-CD1 3.99Å; E568-F581 HydrophobicContact CB-CE1 3.63Å; E568-F581 HydrophobicContact CB-CE2 4.43Å; E568-F581 HydrophobicContact CB-CZ 3.87Å; E568-F581 HydrophobicContact CG-CD1 3.81Å; E568-F581 HydrophobicContact CG-CE1 4Å; E568-F581 HydrophobicContact CG-CG 4.07Å; E568-F581 HydrophobicContact CG-CZ 4.42Å; E568-Y586 WeakPolarHBondContact CG-OH 3.29Å
569	I	94.9	Very high	93.3	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	22%	0.216	C	C	.	.			trans	-90.5	108.4	176.3	-55.3	-58.5	0	0	0	109.3	I500 N509 V511 Q548 L567 H571 Y586	I500-I569 HydrophobicContact CG2-CD1 4.16Å; I500-I569 HydrophobicContact CG2-CG1 4.28Å; N509-I569 HydrophobicContact CB-CD1 3.84Å; V511-I569 HydrophobicContact CB-CG1 4.28Å; V511-I569 HydrophobicContact CG1-CB 4.34Å; V511-I569 HydrophobicContact CG1-CG1 4.45Å; V511-I569 HydrophobicContact CG1-CG2 4.43Å; Q548-I569 HydrophobicContact CB-CG2 4.49Å; L567-I569 HydrophobicContact CD2-CD1 4.15Å; L567-I569 HydrophobicContact CG-CD1 4.33Å; L567-I569 PolarHBondContact O-N 3.48Å; I569-H571 HydrophobicContact CG2-CB 3.99Å; I569-H571 PolarHBondContact O-N 2.79Å; I569-Y586 HydrophobicContact CB-CE2 4.32Å; I569-Y586 HydrophobicContact CG1-CE2 4.35Å; I569-Y586 PolarHBondContact N-OH 2.64Å; I569-Y586 PolarHBondContact O-OH 3.38Å; I569-Y586 VanDerWaalsContact O-OH 3.06Å
570	G	90	Very high	93.2	Very high	65 Å²	65	36.8 Å²	36.8	67%	0.67	23%	0.226	S	C	*	.			trans	-75.2	43.9	179.6	0	0	0	0	0	115.2
571	H	91.3	Very high	93.1	Very high	8 Å²	8	37 Å²	37	4%	0.037	23%	0.227	C	C	.	.			trans	-85.8	135.1	-178	-178.9	-62	0	0	0	111.7	L546 V547 G550 T551 I569 E573 V574	L546-H571 HydrophobicContact CB-CB 4.06Å; V547-H571 PolarHBondContact N-CD2 2.88Å; V547-H571 PolarHBondContact O-CD2 3.22Å; G550-H571 VanDerWaalsContact C-NE2 3.33Å; G550-H571 PolarHBondContact O-NE2 2.94Å; T551-H571 PolarHBondContact O-NE2 3.02Å; I569-H571 HydrophobicContact CG2-CB 3.99Å; I569-H571 PolarHBondContact O-N 2.79Å; H571-E573 VanDerWaalsContact C-N 3.28Å; H571-E573 PolarHBondContact ND1-N 3.17Å; H571-E573 PolarHBondContact O-N 3.33Å; H571-V574 HydrophobicContact CB-CG2 3.78Å; H571-V574 WeakPolarHBondContact O-CB 3.14Å; H571-V574 VanDerWaalsContact O-CG2 3.27Å; H571-V574 WeakPolarHBondContact O-CG2 3.33Å; H571-V574 PolarHBondContact O-N 3.3Å; H571-V574 VanDerWaalsContact O-N 3.15Å
572	P	87.6	Confident	93	Very high	62 Å²	62	34.9 Å²	34.9	40%	0.403	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-35.6	-175	-27.5	34.9	0	0	0	115.6
573	E	88.8	Confident	92.7	Very high	11 Å²	11	39.5 Å²	39.5	5%	0.051	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	1.2	-177.5	-59.7	-65.3	106.2	0	0	114.8	Y164 K168 L546 H571 G575 R576 Y577	Y164-E573 VanDerWaalsContact CE2-OE1 3.24Å; Y164-E573 WeakPolarHBondContact CE2-OE1 3.02Å; Y164-E573 VanDerWaalsContact OH-CD 3.22Å; Y164-E573 PolarHBondContact OH-OE1 2.92Å; Y164-E573 VanDerWaalsContact OH-OE1 3.04Å; Y164-E573 PolarHBondContact OH-OE2 3.22Å; K168-E573 IonicContact NZ-OE1 3.71Å; L546-E573 HydrophobicContact CD2-CB 4.37Å; H571-E573 VanDerWaalsContact C-N 3.28Å; H571-E573 PolarHBondContact ND1-N 3.17Å; H571-E573 PolarHBondContact O-N 3.33Å; E573-G575 VanDerWaalsContact C-N 3.28Å; E573-G575 PolarHBondContact O-N 2.94Å; E573-R576 WeakPolarHBondContact O-CB 3.3Å; E573-R576 PolarHBondContact O-N 3.06Å; E573-Y577 HydrophobicContact CB-CE2 4.42Å; E573-Y577 WeakPolarHBondContact O-CD2 3.2Å
574	V	93.3	Very high	92.6	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.055	25%	0.245	C	C	.	.	H	α-helix	trans	-55.5	-44.3	-177.2	166.3	0	0	0	0	111.9	L160 V511 L546 H571 R576 Y577 F578 Y586	L160-V574 HydrophobicContact CD1-CG1 3.98Å; V511-V574 HydrophobicContact CG1-CG2 4.49Å; L546-V574 HydrophobicContact CD1-CB 4.4Å; L546-V574 HydrophobicContact CD1-CG2 3.79Å; H571-V574 HydrophobicContact CB-CG2 3.78Å; H571-V574 WeakPolarHBondContact O-CB 3.14Å; H571-V574 VanDerWaalsContact O-CG2 3.27Å; H571-V574 WeakPolarHBondContact O-CG2 3.33Å; H571-V574 PolarHBondContact O-N 3.3Å; H571-V574 VanDerWaalsContact O-N 3.15Å; V574-R576 PolarHBondContact O-N 3.11Å; V574-Y577 PolarHBondContact O-N 3.17Å; V574-Y577 VanDerWaalsContact O-N 3.07Å; V574-F578 HydrophobicContact CG1-CB 4.35Å; V574-F578 HydrophobicContact CG1-CD2 3.95Å; V574-F578 WeakPolarHBondContact O-CD2 3.25Å; V574-F578 PolarHBondContact O-N 2.67Å; V574-Y586 HydrophobicContact CG1-CD1 3.75Å; V574-Y586 HydrophobicContact CG1-CE1 3.33Å
575	G	92.6	Very high	92.8	Very high	7 Å²	7	35.9 Å²	35.9	7%	0.072	22%	0.215	C	C	.	.	H	α-helix	trans	-65	-21.6	-179	0	0	0	0	0	113.9	L160 T161 E573 Y577	L160-G575 WeakPolarHBondContact O-CA 3.42Å; T161-G575 WeakPolarHBondContact CA-O 3.49Å; T161-G575 WeakPolarHBondContact CB-O 3.23Å; T161-G575 PolarHBondContact N-O 2.73Å; T161-G575 PolarHBondContact OG1-O 3.28Å; E573-G575 VanDerWaalsContact C-N 3.28Å; E573-G575 PolarHBondContact O-N 2.94Å; G575-Y577 PolarHBondContact O-N 2.73Å
576	R	90.8	Very high	93.1	Very high	22 Å²	22	34.2 Å²	34.2	8%	0.083	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-32.5	173.6	-174.8	180	172.4	178	-0.5	112.4	F117 E119 Y164 E573 V574 N589	F117-R576 WeakPolarHBondContact CE2-O 3.28Å; F117-R576 PolarHBondContact O-NH2 2.75Å; E119-R576 PolarHBondContact O-NH2 3.39Å; Y164-R576 HydrophobicContact CD1-CB 4.18Å; Y164-R576 HydrophobicContact CD2-CB 4.46Å; Y164-R576 HydrophobicContact CE1-CB 3.88Å; Y164-R576 HydrophobicContact CE1-CG 4.21Å; Y164-R576 HydrophobicContact CE2-CB 4.17Å; Y164-R576 HydrophobicContact CG-CB 4.46Å; E573-R576 WeakPolarHBondContact O-CB 3.3Å; E573-R576 PolarHBondContact O-N 3.06Å; V574-R576 PolarHBondContact O-N 3.11Å; R576-N589 PolarHBondContact O-ND2 2.63Å
577	Y	93.4	Very high	93.4	Very high	27 Å²	27	33.3 Å²	33.3	11%	0.106	20%	0.195	C	C	.	.	H	α-helix	trans	-109.4	-30.4	-170.5	-63.9	-68.5	0	0	0	113	F117 Y513 L546 E573 V574 G575 N589 L592	F117-Y577 AromaticContact CE2-CD1 3.88Å; F117-Y577 HydrophobicContact CE2-CD1 3.88Å; F117-Y577 HydrophobicContact CE2-CE1 4.37Å; F117-Y577 AromaticContact CZ-CD1 3.81Å; F117-Y577 HydrophobicContact CZ-CD1 3.81Å; F117-Y577 HydrophobicContact CZ-CE1 4.16Å; Y513-Y577 AromaticContact CD2-CD1 3.85Å; Y513-Y577 HydrophobicContact CD2-CD1 3.85Å; Y513-Y577 HydrophobicContact CD2-CD2 4.16Å; Y513-Y577 AromaticContact CD2-CE1 3.51Å; Y513-Y577 HydrophobicContact CD2-CE1 3.51Å; Y513-Y577 AromaticContact CD2-CE2 3.83Å; Y513-Y577 HydrophobicContact CD2-CE2 3.83Å; Y513-Y577 HydrophobicContact CD2-CG 4.16Å; Y513-Y577 AromaticContact CD2-CZ 3.49Å; Y513-Y577 VanDerWaalsContact CD2-CZ 3.49Å; Y513-Y577 AromaticContact CE2-CE1 3.95Å; Y513-Y577 HydrophobicContact CE2-CE1 3.95Å; Y513-Y577 HydrophobicContact CE2-CE2 4.1Å; Y513-Y577 AromaticContact CE2-CZ 3.59Å; Y513-Y577 HydrophobicContact CG-CD1 4.43Å; Y513-Y577 HydrophobicContact CG-CD2 4.23Å; Y513-Y577 HydrophobicContact CG-CE1 4.43Å; Y513-Y577 HydrophobicContact CG-CE2 4.21Å; Y513-Y577 HydrophobicContact CG-CG 4.33Å; L546-Y577 HydrophobicContact CD1-CD2 3.95Å; L546-Y577 HydrophobicContact CD1-CE2 4.44Å; L546-Y577 HydrophobicContact CD2-CE2 4.25Å; E573-Y577 HydrophobicContact CB-CE2 4.42Å; E573-Y577 WeakPolarHBondContact O-CD2 3.2Å; V574-Y577 PolarHBondContact O-N 3.17Å; V574-Y577 VanDerWaalsContact O-N 3.07Å; G575-Y577 PolarHBondContact O-N 2.73Å; Y577-N589 VanDerWaalsContact O-CG 3.25Å; Y577-N589 PolarHBondContact O-N 3.12Å; Y577-N589 PolarHBondContact O-OD1 3.17Å; Y577-L592 VanDerWaalsContact O-CD2 3.32Å; Y577-L592 WeakPolarHBondContact O-CD2 3.26Å
578	F	96.1	Very high	93.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.7	-171.3	-55.8	-72	0	0	0	111.2	L160 T161 V497 V511 I512 L546 V574 Y586 V587 L592	L160-F578 VanDerWaalsContact CB-O 3.29Å; L160-F578 WeakPolarHBondContact CB-O 3.33Å; T161-F578 PolarHBondContact N-O 3.19Å; T161-F578 PolarHBondContact OG1-O 3.13Å; V497-F578 HydrophobicContact CG1-CE1 3.86Å; V497-F578 HydrophobicContact CG1-CZ 4.31Å; V511-F578 HydrophobicContact CG1-CE2 4.09Å; V511-F578 HydrophobicContact CG2-CE2 3.93Å; V511-F578 HydrophobicContact CG2-CZ 3.79Å; I512-F578 WeakPolarHBondContact O-CZ 3.17Å; L546-F578 HydrophobicContact CD1-CE2 4.35Å; V574-F578 HydrophobicContact CG1-CB 4.35Å; V574-F578 HydrophobicContact CG1-CD2 3.95Å; V574-F578 WeakPolarHBondContact O-CD2 3.25Å; V574-F578 PolarHBondContact O-N 2.67Å; F578-Y586 HydrophobicContact CB-CD1 3.97Å; F578-Y586 HydrophobicContact CB-CG 4.44Å; F578-Y586 VanDerWaalsContact CD1-CB 3.41Å; F578-Y586 HydrophobicContact CD1-CG 4.39Å; F578-Y586 HydrophobicContact CD2-CD1 4.19Å; F578-Y586 HydrophobicContact CD2-CG 4.23Å; F578-Y586 HydrophobicContact CG-CD1 4.05Å; F578-Y586 HydrophobicContact CG-CG 4.1Å; F578-V587 CarbonylContact C-O 3.38Å; F578-V587 WeakPolarHBondContact CA-O 3.45Å; F578-V587 WeakPolarHBondContact CB-O 3.47Å; F578-L592 HydrophobicContact CD1-CD2 4.34Å; F578-L592 HydrophobicContact CE1-CD2 3.9Å; F578-L592 HydrophobicContact CZ-CD2 4.26Å
579	S	95.1	Very high	93.5	Very high	38 Å²	38	28.4 Å²	28.4	27%	0.266	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-28.9	178.5	59	0	0	0	0	112.3	S159 L160 V587 A588	S159-S579 CarbonylContact C-O 3.59Å; S159-S579 WeakPolarHBondContact CA-O 3.4Å; S159-S579 PolarHBondContact N-O 2.97Å; L160-S579 PolarHBondContact N-O 3.37Å; S579-V587 PolarHBondContact N-O 2.89Å; S579-V587 PolarHBondContact OG-O 3.49Å; S579-A588 PolarHBondContact OG-O 3.06Å
580	E	95.3	Very high	93.5	Very high	64 Å²	64	33.7 Å²	33.7	30%	0.299	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	151.3	-174.5	176.9	166.6	-170.1	0	0	112.2	R157 K158 Y586 V587	R157-E580 WeakPolarHBondContact O-CA 3.33Å; K158-E580 VanDerWaalsContact CE-OE1 3.29Å; K158-E580 WeakPolarHBondContact CE-OE1 3.46Å; K158-E580 HydrophobicContact CG-CG 4.32Å; E580-Y586 WeakPolarHBondContact O-CA 3.32Å; E580-V587 HydrophobicContact CB-CB 4.31Å; E580-V587 HydrophobicContact CB-CG2 4.38Å; E580-V587 PolarHBondContact O-N 3.29Å
581	F	95.5	Very high	93.5	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	104.9	162.4	179.7	-114.4	0	0	0	109.9	R157 L160 I500 E568 E583 H585 Y586	R157-F581 HydrophobicContact CG-CD1 4.4Å; R157-F581 PolarHBondContact O-N 3.33Å; L160-F581 HydrophobicContact CD1-CB 4.47Å; I500-F581 HydrophobicContact CD1-CE2 3.88Å; I500-F581 HydrophobicContact CD1-CZ 4.34Å; E568-F581 HydrophobicContact CB-CD1 3.99Å; E568-F581 HydrophobicContact CB-CE1 3.63Å; E568-F581 HydrophobicContact CB-CE2 4.43Å; E568-F581 HydrophobicContact CB-CZ 3.87Å; E568-F581 HydrophobicContact CG-CD1 3.81Å; E568-F581 HydrophobicContact CG-CE1 4Å; E568-F581 HydrophobicContact CG-CG 4.07Å; E568-F581 HydrophobicContact CG-CZ 4.42Å; F581-E583 WeakPolarHBondContact CE1-O 3.36Å; F581-E583 VanDerWaalsContact CZ-C 3.41Å; F581-E583 WeakPolarHBondContact CZ-O 3.44Å; F581-E583 PolarHBondContact O-N 3.48Å; F581-H585 WeakPolarHBondContact CD2-O 3.32Å; F581-Y586 HydrophobicContact CB-CD1 4.05Å; F581-Y586 HydrophobicContact CB-CE1 3.73Å; F581-Y586 AromaticContact CD2-CD1 3.97Å; F581-Y586 HydrophobicContact CD2-CD1 3.97Å; F581-Y586 AromaticContact CD2-CD2 3.79Å; F581-Y586 HydrophobicContact CD2-CD2 3.79Å; F581-Y586 AromaticContact CD2-CE1 3.68Å; F581-Y586 HydrophobicContact CD2-CE1 3.68Å; F581-Y586 AromaticContact CD2-CE2 3.51Å; F581-Y586 HydrophobicContact CD2-CE2 3.51Å; F581-Y586 HydrophobicContact CD2-CG 4.03Å; F581-Y586 AromaticContact CD2-CZ 3.46Å; F581-Y586 VanDerWaalsContact CD2-CZ 3.46Å; F581-Y586 HydrophobicContact CE2-CD2 4.19Å; F581-Y586 AromaticContact CE2-CE2 3.78Å; F581-Y586 HydrophobicContact CE2-CE2 3.78Å; F581-Y586 HydrophobicContact CG-CE1 4.06Å
582	A	94	Very high	93.6	Very high	30 Å²	30	31.5 Å²	31.5	25%	0.248	17%	0.171	C	C	.	.			trans	-86.8	47.5	-176.2	0	0	0	0	0	111.9	T584 H585 V587	A582-T584 PolarHBondContact O-N 3.45Å; A582-T584 PolarHBondContact O-OG1 3.31Å; A582-H585 PolarHBondContact N-O 3.23Å; A582-V587 HydrophobicContact CB-CG2 3.99Å
583	E	90.7	Very high	93.9	Very high	130 Å²	130	33.2 Å²	33.2	61%	0.607	17%	0.173	S	C	*	.	S	Bend	trans	63.3	-38.4	-178.4	-53.7	-171.2	152.9	0	0	116.4	R157 P566 F581	R157-E583 IonicContact NH1-OE1 2.71Å; P566-E583 VanDerWaalsContact CB-O 3.23Å; P566-E583 WeakPolarHBondContact CB-O 3.2Å; F581-E583 WeakPolarHBondContact CE1-O 3.36Å; F581-E583 VanDerWaalsContact CZ-C 3.41Å; F581-E583 WeakPolarHBondContact CZ-O 3.44Å; F581-E583 PolarHBondContact O-N 3.48Å
584	T	93.7	Very high	94.1	Very high	33 Å²	33	36.9 Å²	36.9	20%	0.202	20%	0.196	C	C	.	.	S	Bend	trans	-116.8	-19.1	-170.4	54.2	0	0	0	0	113.4	I500 P566 A582 V607 Y611	I500-T584 WeakPolarHBondContact CD1-O 3.36Å; P566-T584 HydrophobicContact CB-CG2 4.28Å; P566-T584 HydrophobicContact CG-CG2 3.96Å; A582-T584 PolarHBondContact O-N 3.45Å; A582-T584 PolarHBondContact O-OG1 3.31Å; T584-V607 HydrophobicContact CG2-CG1 4.2Å; T584-V607 WeakPolarHBondContact OG1-CG1 3.42Å; T584-Y611 HydrophobicContact CG2-CD2 3.79Å; T584-Y611 HydrophobicContact CG2-CE2 4.27Å
585	H	95.8	Very high	94.1	Very high	14 Å²	14	39.5 Å²	39.5	7%	0.065	21%	0.205	C	C	.	.	S	Bend	trans	-158.4	169.8	-178.3	63	-80.8	0	0	0	110.1	F581 A582 M600 T603 L604 V607	F581-H585 WeakPolarHBondContact CD2-O 3.32Å; A582-H585 PolarHBondContact N-O 3.23Å; H585-M600 WeakPolarHBondContact CD2-CE 3.34Å; H585-M600 WeakPolarHBondContact NE2-CE 3.45Å; H585-T603 HydrophobicContact CB-CG2 3.66Å; H585-L604 VanDerWaalsContact CE1-CD2 3.5Å; H585-L604 WeakPolarHBondContact CE1-CD2 3.38Å; H585-V607 HydrophobicContact CB-CG2 4.04Å
586	Y	97.3	Very high	94.2	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	136.7	173	-73.7	-90.2	0	0	0	111.7	L160 G498 I500 V511 E568 I569 V574 F578 E580 F581	L160-Y586 HydrophobicContact CD1-CD1 4.13Å; L160-Y586 HydrophobicContact CD1-CE1 4.03Å; G498-Y586 WeakPolarHBondContact CA-O 3.49Å; G498-Y586 PolarHBondContact O-N 2.99Å; I500-Y586 HydrophobicContact CG1-CD2 4.46Å; I500-Y586 HydrophobicContact CG1-CE2 4.48Å; V511-Y586 HydrophobicContact CB-CD2 4.01Å; V511-Y586 HydrophobicContact CB-CE2 4.16Å; V511-Y586 HydrophobicContact CG1-CD2 4.41Å; V511-Y586 HydrophobicContact CG1-CE2 4.36Å; V511-Y586 HydrophobicContact CG2-CD2 3.51Å; V511-Y586 HydrophobicContact CG2-CE2 4.17Å; V511-Y586 HydrophobicContact CG2-CG 4.12Å; E568-Y586 WeakPolarHBondContact CG-OH 3.29Å; I569-Y586 HydrophobicContact CB-CE2 4.32Å; I569-Y586 HydrophobicContact CG1-CE2 4.35Å; I569-Y586 PolarHBondContact N-OH 2.64Å; I569-Y586 PolarHBondContact O-OH 3.38Å; I569-Y586 VanDerWaalsContact O-OH 3.06Å; V574-Y586 HydrophobicContact CG1-CD1 3.75Å; V574-Y586 HydrophobicContact CG1-CE1 3.33Å; F578-Y586 HydrophobicContact CB-CD1 3.97Å; F578-Y586 HydrophobicContact CB-CG 4.44Å; F578-Y586 VanDerWaalsContact CD1-CB 3.41Å; F578-Y586 HydrophobicContact CD1-CG 4.39Å; F578-Y586 HydrophobicContact CD2-CD1 4.19Å; F578-Y586 HydrophobicContact CD2-CG 4.23Å; F578-Y586 HydrophobicContact CG-CD1 4.05Å; F578-Y586 HydrophobicContact CG-CG 4.1Å; E580-Y586 WeakPolarHBondContact O-CA 3.32Å; F581-Y586 HydrophobicContact CB-CD1 4.05Å; F581-Y586 HydrophobicContact CB-CE1 3.73Å; F581-Y586 AromaticContact CD2-CD1 3.97Å; F581-Y586 HydrophobicContact CD2-CD1 3.97Å; F581-Y586 AromaticContact CD2-CD2 3.79Å; F581-Y586 HydrophobicContact CD2-CD2 3.79Å; F581-Y586 AromaticContact CD2-CE1 3.68Å; F581-Y586 HydrophobicContact CD2-CE1 3.68Å; F581-Y586 AromaticContact CD2-CE2 3.51Å; F581-Y586 HydrophobicContact CD2-CE2 3.51Å; F581-Y586 HydrophobicContact CD2-CG 4.03Å; F581-Y586 AromaticContact CD2-CZ 3.46Å; F581-Y586 VanDerWaalsContact CD2-CZ 3.46Å; F581-Y586 HydrophobicContact CE2-CD2 4.19Å; F581-Y586 AromaticContact CE2-CE2 3.78Å; F581-Y586 HydrophobicContact CE2-CE2 3.78Å; F581-Y586 HydrophobicContact CG-CE1 4.06Å
587	V	97.1	Very high	94.4	Very high	41 Å²	41	41.9 Å²	41.9	25%	0.248	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.5	175.4	-176.3	0	0	0	0	108.5	F578 S579 E580 A582	F578-V587 CarbonylContact C-O 3.38Å; F578-V587 WeakPolarHBondContact CA-O 3.45Å; F578-V587 WeakPolarHBondContact CB-O 3.47Å; S579-V587 PolarHBondContact N-O 2.89Å; S579-V587 PolarHBondContact OG-O 3.49Å; E580-V587 HydrophobicContact CB-CB 4.31Å; E580-V587 HydrophobicContact CB-CG2 4.38Å; E580-V587 PolarHBondContact O-N 3.29Å; A582-V587 HydrophobicContact CB-CG2 3.99Å
588	A	96.4	Very high	94.5	Very high	17 Å²	17	43.2 Å²	43.2	14%	0.14	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	145.7	176.1	0	0	0	0	0	111.3	S579 L592 Q593	S579-A588 PolarHBondContact OG-O 3.06Å; A588-L592 HydrophobicContact CB-CB 4.12Å; A588-L592 HydrophobicContact CB-CD2 4.06Å; A588-L592 HydrophobicContact CB-CG 4.18Å; A588-Q593 HydrophobicContact CB-CB 4.33Å
589	N	94.7	Very high	94.6	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	23%	0.227	C	C	.	.			trans	-76.6	174.5	167.3	65.4	10.6	0	0	0	111.6	R576 Y577 E591 L592 Q593	R576-N589 PolarHBondContact O-ND2 2.63Å; Y577-N589 VanDerWaalsContact O-CG 3.25Å; Y577-N589 PolarHBondContact O-N 3.12Å; Y577-N589 PolarHBondContact O-OD1 3.17Å; N589-E591 PolarHBondContact ND2-OE2 3.15Å; N589-E591 PolarHBondContact O-N 3.49Å; N589-E591 PolarHBondContact OD1-N 3.11Å; N589-E591 PolarHBondContact OD1-OE2 2.61Å; N589-L592 PolarHBondContact O-N 3.49Å; N589-L592 VanDerWaalsContact OD1-CB 3.27Å; N589-L592 WeakPolarHBondContact OD1-CB 3.38Å; N589-L592 PolarHBondContact OD1-N 3.31Å; N589-Q593 VanDerWaalsContact O-CB 3.25Å; N589-Q593 WeakPolarHBondContact O-CB 3.41Å; N589-Q593 PolarHBondContact O-N 3.02Å
590	E	93	Very high	94.6	Very high	114 Å²	114	43.3 Å²	43.3	53%	0.533	22%	0.223	S	C	.	.	H	α-helix	trans	-56	-39.3	-176.5	-66.8	-175.1	-179.8	0	0	111.9	K114 T594	K114-E590 WeakPolarHBondContact CE-OE2 3.25Å; K114-E590 IonicContact NZ-OE2 3.87Å; K114-E590 PolarHBondContact NZ-OE2 3.24Å; E590-T594 WeakPolarHBondContact O-CB 3.43Å; E590-T594 PolarHBondContact O-N 3.22Å; E590-T594 PolarHBondContact O-OG1 2.88Å
591	E	91.3	Very high	94.5	Very high	25 Å²	25	49.8 Å²	49.8	12%	0.117	25%	0.245	C	C	.	.	H	α-helix	trans	-71.5	-43.7	-176.9	-61.7	73.6	-156.6	0	0	112.1	S113 K114 F117 N589 T594 R595	S113-E591 PolarHBondContact OG-OE1 3.32Å; S113-E591 VanDerWaalsContact OG-OE1 3.09Å; K114-E591 WeakPolarHBondContact CG-OE1 3.48Å; K114-E591 PolarHBondContact N-OE1 3.41Å; F117-E591 HydrophobicContact CB-CB 3.88Å; F117-E591 HydrophobicContact CB-CG 3.84Å; F117-E591 HydrophobicContact CD1-CB 3.82Å; F117-E591 HydrophobicContact CD2-CB 3.45Å; F117-E591 VanDerWaalsContact CD2-CB 3.45Å; F117-E591 HydrophobicContact CD2-CG 4.08Å; F117-E591 HydrophobicContact CE1-CB 4.18Å; F117-E591 HydrophobicContact CE2-CB 3.82Å; F117-E591 HydrophobicContact CG-CB 3.44Å; F117-E591 VanDerWaalsContact CG-CB 3.44Å; F117-E591 HydrophobicContact CG-CG 3.98Å; F117-E591 HydrophobicContact CZ-CB 4.17Å; N589-E591 PolarHBondContact ND2-OE2 3.15Å; N589-E591 PolarHBondContact O-N 3.49Å; N589-E591 PolarHBondContact OD1-N 3.11Å; N589-E591 PolarHBondContact OD1-OE2 2.61Å; E591-T594 PolarHBondContact O-N 3.4Å; E591-R595 PolarHBondContact O-N 2.88Å
592	L	93	Very high	94.5	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-71.5	-38.2	177.9	-172.3	63.6	0	0	0	111.4	F117 V497 Y513 Y577 F578 A588 N589 T594 R595 Y596	F117-L592 HydrophobicContact CE2-CB 4.18Å; F117-L592 HydrophobicContact CZ-CB 3.78Å; F117-L592 HydrophobicContact CZ-CD1 3.95Å; F117-L592 HydrophobicContact CZ-CG 4.44Å; V497-L592 HydrophobicContact CG1-CD1 4.44Å; V497-L592 HydrophobicContact CG1-CD2 3.37Å; V497-L592 HydrophobicContact CG1-CG 3.87Å; Y513-L592 VanDerWaalsContact O-CD1 3.31Å; Y513-L592 WeakPolarHBondContact O-CD1 3.42Å; Y577-L592 VanDerWaalsContact O-CD2 3.32Å; Y577-L592 WeakPolarHBondContact O-CD2 3.26Å; F578-L592 HydrophobicContact CD1-CD2 4.34Å; F578-L592 HydrophobicContact CE1-CD2 3.9Å; F578-L592 HydrophobicContact CZ-CD2 4.26Å; A588-L592 HydrophobicContact CB-CB 4.12Å; A588-L592 HydrophobicContact CB-CD2 4.06Å; A588-L592 HydrophobicContact CB-CG 4.18Å; N589-L592 PolarHBondContact O-N 3.49Å; N589-L592 VanDerWaalsContact OD1-CB 3.27Å; N589-L592 WeakPolarHBondContact OD1-CB 3.38Å; N589-L592 PolarHBondContact OD1-N 3.31Å; L592-T594 VanDerWaalsContact C-N 3.3Å; L592-T594 PolarHBondContact O-N 2.98Å; L592-R595 PolarHBondContact O-N 3.43Å; L592-R595 VanDerWaalsContact O-N 3.14Å; L592-Y596 HydrophobicContact CD1-CD2 3.56Å; L592-Y596 HydrophobicContact CD1-CE2 3.59Å; L592-Y596 HydrophobicContact CG-CD2 4.19Å; L592-Y596 PolarHBondContact O-N 3.28Å
593	Q	94.8	Very high	94.6	Very high	98 Å²	98	52.3 Å²	52.3	46%	0.458	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-36.8	174.5	-172.7	176.5	23.8	0	0	111.7	A588 N589 R595 Y596 P597	A588-Q593 HydrophobicContact CB-CB 4.33Å; N589-Q593 VanDerWaalsContact O-CB 3.25Å; N589-Q593 WeakPolarHBondContact O-CB 3.41Å; N589-Q593 PolarHBondContact O-N 3.02Å; Q593-R595 PolarHBondContact O-N 3Å; Q593-Y596 CarbonylContact O-C 3.58Å; Q593-Y596 VanDerWaalsContact O-C 3.25Å; Q593-Y596 PolarHBondContact O-N 2.97Å; Q593-P597 WeakPolarHBondContact O-CA 3.44Å; Q593-P597 VanDerWaalsContact O-N 3.09Å
594	T	92.7	Very high	94.8	Very high	87 Å²	87	49.5 Å²	49.5	53%	0.534	24%	0.241	S	C	.	.	H	α-helix	trans	-60.7	-34.4	174.9	-61.5	0	0	0	0	111.9	E590 E591 L592	E590-T594 WeakPolarHBondContact O-CB 3.43Å; E590-T594 PolarHBondContact O-N 3.22Å; E590-T594 PolarHBondContact O-OG1 2.88Å; E591-T594 PolarHBondContact O-N 3.4Å; L592-T594 VanDerWaalsContact C-N 3.3Å; L592-T594 PolarHBondContact O-N 2.98Å
595	R	91.9	Very high	94.7	Very high	65 Å²	65	49.2 Å²	49.2	25%	0.245	24%	0.244	C	C	.	.	H	α-helix	trans	-80.4	-34.1	177.7	-67.1	178.5	178.1	-135.3	-1.9	113.6	P480 K483 E591 L592 Q593 P597	P480-R595 HydrophobicContact CB-CG 4.39Å; K483-R595 PolarHBondContact N-O 3.31Å; E591-R595 PolarHBondContact O-N 2.88Å; L592-R595 PolarHBondContact O-N 3.43Å; L592-R595 VanDerWaalsContact O-N 3.14Å; Q593-R595 PolarHBondContact O-N 3Å; R595-P597 VanDerWaalsContact C-CD 3.45Å; R595-P597 WeakPolarHBondContact O-CD 3.42Å
596	Y	95.4	Very high	94.6	Very high	22 Å²	22	50.1 Å²	50.1	9%	0.086	25%	0.251	C	S	.	.	S	Bend	trans	-126.2	66.3	-177.5	-57	-83.8	0	0	0	110.7	K483 V497 G514 W515 L592 Q593 E598 D599	K483-Y596 HydrophobicContact CB-CD1 3.97Å; K483-Y596 HydrophobicContact CB-CE1 3.95Å; K483-Y596 HydrophobicContact CD-CD1 4.49Å; K483-Y596 HydrophobicContact CD-CE1 3.63Å; K483-Y596 HydrophobicContact CG-CE1 4.37Å; V497-Y596 HydrophobicContact CG2-CD1 4.19Å; V497-Y596 HydrophobicContact CG2-CD2 3.88Å; V497-Y596 HydrophobicContact CG2-CE1 4.47Å; V497-Y596 HydrophobicContact CG2-CE2 4.19Å; V497-Y596 HydrophobicContact CG2-CG 3.87Å; G514-Y596 VanDerWaalsContact CA-OH 3.31Å; G514-Y596 WeakPolarHBondContact CA-OH 3.21Å; W515-Y596 AromaticContact CD1-CD1 3.99Å; W515-Y596 AromaticContact CD1-CE1 3.83Å; W515-Y596 HydrophobicContact CD2-CD1 4.32Å; W515-Y596 AromaticContact CD2-CE1 3.91Å; W515-Y596 HydrophobicContact CD2-CE1 3.91Å; W515-Y596 AromaticContact CE2-CD1 3.55Å; W515-Y596 AromaticContact CE2-CE1 3.63Å; W515-Y596 HydrophobicContact CG-CE1 4.05Å; W515-Y596 AromaticContact CZ2-CD1 3.85Å; W515-Y596 HydrophobicContact CZ2-CD1 3.85Å; W515-Y596 HydrophobicContact CZ2-CE1 4.16Å; W515-Y596 PolarHBondContact N-OH 3.3Å; W515-Y596 AromaticContact NE1-CD1 3.32Å; W515-Y596 VanDerWaalsContact NE1-CD1 3.32Å; W515-Y596 AromaticContact NE1-CE1 3.56Å; L592-Y596 HydrophobicContact CD1-CD2 3.56Å; L592-Y596 HydrophobicContact CD1-CE2 3.59Å; L592-Y596 HydrophobicContact CG-CD2 4.19Å; L592-Y596 PolarHBondContact O-N 3.28Å; Q593-Y596 CarbonylContact O-C 3.58Å; Q593-Y596 VanDerWaalsContact O-C 3.25Å; Q593-Y596 PolarHBondContact O-N 2.97Å; Y596-E598 PolarHBondContact O-N 3.22Å; Y596-E598 VanDerWaalsContact O-N 3.16Å; Y596-D599 PolarHBondContact O-N 3.22Å
597	P	95.6	Very high	94.4	Very high	57 Å²	57	50.5 Å²	50.5	37%	0.37	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.2	-168	25.4	-35.8	0	0	0	114.5	V482 R484 Q593 R595	V482-P597 HydrophobicContact CG1-CG 3.93Å; R484-P597 HydrophobicContact CG-CG 4.32Å; Q593-P597 WeakPolarHBondContact O-CA 3.44Å; Q593-P597 VanDerWaalsContact O-N 3.09Å; R595-P597 VanDerWaalsContact C-CD 3.45Å; R595-P597 WeakPolarHBondContact O-CD 3.42Å
598	E	96.1	Very high	94.1	Very high	55 Å²	55	54 Å²	54	26%	0.257	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-17.4	-175.3	-69.2	165.3	-168.6	0	0	113	R485 S486 Y596 M600 R601	R485-E598 WeakPolarHBondContact CA-OE2 3.26Å; R485-E598 WeakPolarHBondContact CB-OE2 3.39Å; R485-E598 HydrophobicContact CG-CB 4.23Å; R485-E598 PolarHBondContact N-OE2 3.24Å; S486-E598 PolarHBondContact N-OE2 3.14Å; Y596-E598 PolarHBondContact O-N 3.22Å; Y596-E598 VanDerWaalsContact O-N 3.16Å; E598-M600 VanDerWaalsContact C-N 3.35Å; E598-M600 PolarHBondContact O-N 3.09Å; E598-R601 PolarHBondContact O-N 3.14Å
599	D	96.6	Very high	93.8	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.011	30%	0.295	C	S	.	.	H	α-helix	trans	-67.2	-31.8	-169.5	-89.2	26.4	0	0	0	113.5	R485 S496 V497 W515 Y596 R601 E602 T603	R485-D599 VanDerWaalsContact CD-OD1 3.26Å; R485-D599 WeakPolarHBondContact CD-OD1 2.97Å; R485-D599 WeakPolarHBondContact CG-OD1 3.35Å; R485-D599 IonicContact CZ-OD1 2.86Å; R485-D599 IonicContact NH1-OD1 3.92Å; R485-D599 PolarHBondContact NH1-OD1 2.98Å; R485-D599 IonicContact NH1-OD2 2.71Å; S496-D599 WeakPolarHBondContact CA-OD2 3.47Å; V497-D599 HydrophobicContact CB-CB 4.15Å; V497-D599 WeakPolarHBondContact CB-OD2 3.5Å; V497-D599 WeakPolarHBondContact CG2-OD2 3.23Å; V497-D599 PolarHBondContact N-OD2 3.24Å; W515-D599 PolarHBondContact NE1-OD1 3.12Å; W515-D599 PolarHBondContact NE1-OD2 2.97Å; Y596-D599 PolarHBondContact O-N 3.22Å; D599-R601 VanDerWaalsContact C-N 3.26Å; D599-R601 PolarHBondContact O-N 2.9Å; D599-E602 PolarHBondContact O-N 2.95Å; D599-T603 PolarHBondContact O-N 3.39Å; D599-T603 PolarHBondContact O-OG1 2.96Å; D599-T603 VanDerWaalsContact O-OG1 3.08Å
600	M	95.4	Very high	93.5	Very high	37 Å²	37	63.6 Å²	63.6	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-64.7	-33.6	179.9	-164	62.4	-105.4	0	0	111.8	H585 E598 T603 L604	H585-M600 WeakPolarHBondContact CD2-CE 3.34Å; H585-M600 WeakPolarHBondContact NE2-CE 3.45Å; E598-M600 VanDerWaalsContact C-N 3.35Å; E598-M600 PolarHBondContact O-N 3.09Å; M600-T603 HydrophobicContact CE-CG2 3.84Å; M600-L604 HydrophobicContact CE-CD1 4.37Å; M600-L604 HydrophobicContact CE-CD2 4.03Å; M600-L604 HydrophobicContact CE-CG 3.72Å; M600-L604 VanDerWaalsContact O-CG 3.31Å; M600-L604 WeakPolarHBondContact O-CG 3.4Å; M600-L604 PolarHBondContact O-N 3.35Å; M600-L604 VanDerWaalsContact O-N 3.14Å
601	R	94.5	Very high	93.2	Very high	200 Å²	200	59.1 Å²	59.1	76%	0.755	29%	0.289	S	S	*	.	H	α-helix	trans	-66.4	-45	175.5	-173.8	-175.9	-64.2	166.8	1.4	110.8	E598 D599 L604 G605	E598-R601 PolarHBondContact O-N 3.14Å; D599-R601 VanDerWaalsContact C-N 3.26Å; D599-R601 PolarHBondContact O-N 2.9Å; R601-L604 PolarHBondContact O-N 2.96Å; R601-G605 PolarHBondContact O-N 3.05Å
602	E	94.9	Very high	92.3	Very high	89 Å²	89	64.3 Å²	64.3	42%	0.416	31%	0.313	S	S	.	.	H	α-helix	trans	-64.1	-42.5	178.5	-64.3	-52.7	135.3	0	0	112.5	D599 L604 G605 T606	D599-E602 PolarHBondContact O-N 2.95Å; E602-L604 VanDerWaalsContact C-N 3.33Å; E602-L604 PolarHBondContact O-N 3.15Å; E602-G605 PolarHBondContact O-N 3.23Å; E602-T606 WeakPolarHBondContact O-CB 3.4Å; E602-T606 PolarHBondContact O-N 3.25Å; E602-T606 PolarHBondContact O-OG1 2.84Å
603	T	95.5	Very high	90.5	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59.8	-45.4	176.4	-63.2	0	0	0	0	110.7	S496 V497 L499 H585 D599 M600 T606 V607	S496-T603 VanDerWaalsContact CB-OG1 3.3Å; S496-T603 WeakPolarHBondContact CB-OG1 3.41Å; S496-T603 WeakPolarHBondContact OG-CA 3.38Å; S496-T603 PolarHBondContact OG-N 2.96Å; S496-T603 PolarHBondContact OG-OG1 2.92Å; V497-T603 PolarHBondContact O-OG1 3.39Å; L499-T603 HydrophobicContact CD1-CG2 4.45Å; H585-T603 HydrophobicContact CB-CG2 3.66Å; D599-T603 PolarHBondContact O-N 3.39Å; D599-T603 PolarHBondContact O-OG1 2.96Å; D599-T603 VanDerWaalsContact O-OG1 3.08Å; M600-T603 HydrophobicContact CE-CG2 3.84Å; T603-T606 PolarHBondContact O-N 3.13Å; T603-V607 HydrophobicContact CG2-CG2 4.24Å; T603-V607 VanDerWaalsContact O-CB 3.27Å; T603-V607 WeakPolarHBondContact O-CB 3.48Å; T603-V607 WeakPolarHBondContact O-CG2 3.4Å; T603-V607 PolarHBondContact O-N 3.49Å
604	L	94.3	Very high	88.5	Confident	71 Å²	71	75.3 Å²	75.3	37%	0.372	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-44	178.2	-71.1	172.4	0	0	0	112.2	H585 M600 R601 E602 V607 Q608	H585-L604 VanDerWaalsContact CE1-CD2 3.5Å; H585-L604 WeakPolarHBondContact CE1-CD2 3.38Å; M600-L604 HydrophobicContact CE-CD1 4.37Å; M600-L604 HydrophobicContact CE-CD2 4.03Å; M600-L604 HydrophobicContact CE-CG 3.72Å; M600-L604 VanDerWaalsContact O-CG 3.31Å; M600-L604 WeakPolarHBondContact O-CG 3.4Å; M600-L604 PolarHBondContact O-N 3.35Å; M600-L604 VanDerWaalsContact O-N 3.14Å; R601-L604 PolarHBondContact O-N 2.96Å; E602-L604 VanDerWaalsContact C-N 3.33Å; E602-L604 PolarHBondContact O-N 3.15Å; L604-V607 PolarHBondContact O-N 3.25Å; L604-Q608 WeakPolarHBondContact O-CB 3.18Å; L604-Q608 WeakPolarHBondContact O-CG 3.19Å; L604-Q608 PolarHBondContact O-N 3.19Å
605	G	93.3	Very high	86.1	Confident	27 Å²	27	75.6 Å²	75.6	28%	0.278	36%	0.357	S	S	.	.	H	α-helix	trans	-59.8	-49.8	176.3	0	0	0	0	0	112.1	R601 E602 V607 Q608 E609	R601-G605 PolarHBondContact O-N 3.05Å; E602-G605 PolarHBondContact O-N 3.23Å; G605-V607 PolarHBondContact O-N 3.3Å; G605-Q608 PolarHBondContact O-N 3.34Å; G605-E609 WeakPolarHBondContact O-CG 3.43Å; G605-E609 PolarHBondContact O-N 3.31Å; G605-E609 VanDerWaalsContact O-N 3.07Å
606	T	92.1	Very high	83.6	Confident	34 Å²	34	78.9 Å²	78.9	21%	0.209	39%	0.387	C	S	.	.	H	α-helix	trans	-59.6	-46.5	179.3	-57.6	0	0	0	0	111.8	L499 E602 T603 Q608 E609 L610	L499-T606 HydrophobicContact CD1-CG2 4.09Å; L499-T606 HydrophobicContact CD2-CG2 3.94Å; E602-T606 WeakPolarHBondContact O-CB 3.4Å; E602-T606 PolarHBondContact O-N 3.25Å; E602-T606 PolarHBondContact O-OG1 2.84Å; T603-T606 PolarHBondContact O-N 3.13Å; T606-Q608 PolarHBondContact O-N 3.47Å; T606-E609 PolarHBondContact O-N 3.39Å; T606-L610 HydrophobicContact CG2-CD1 3.67Å; T606-L610 HydrophobicContact CG2-CG 4.31Å; T606-L610 WeakPolarHBondContact O-CB 3.02Å; T606-L610 VanDerWaalsContact O-CG 3.23Å; T606-L610 WeakPolarHBondContact O-CG 3.28Å; T606-L610 PolarHBondContact O-N 3.27Å
607	V	93.5	Very high	81	Confident	10 Å²	10	81.2 Å²	81.2	6%	0.061	42%	0.418	C	S	.	.	H	α-helix	trans	-65.9	-39	-179.5	167.4	0	0	0	0	111.8	L499 T584 H585 T603 L604 G605 L610 Y611	L499-V607 HydrophobicContact CD1-CG2 3.82Å; T584-V607 HydrophobicContact CG2-CG1 4.2Å; T584-V607 WeakPolarHBondContact OG1-CG1 3.42Å; H585-V607 HydrophobicContact CB-CG2 4.04Å; T603-V607 HydrophobicContact CG2-CG2 4.24Å; T603-V607 VanDerWaalsContact O-CB 3.27Å; T603-V607 WeakPolarHBondContact O-CB 3.48Å; T603-V607 WeakPolarHBondContact O-CG2 3.4Å; T603-V607 PolarHBondContact O-N 3.49Å; L604-V607 PolarHBondContact O-N 3.25Å; G605-V607 PolarHBondContact O-N 3.3Å; V607-L610 PolarHBondContact O-N 2.91Å; V607-Y611 HydrophobicContact CG1-CD2 3.7Å; V607-Y611 HydrophobicContact CG1-CE2 4.12Å; V607-Y611 WeakPolarHBondContact O-CB 3.44Å; V607-Y611 PolarHBondContact O-N 3Å
608	Q	91.3	Very high	78.1	Confident	113 Å²	113	83.3 Å²	83.3	53%	0.528	43%	0.434	S	S	.	.	H	α-helix	trans	-60.3	-47.8	174.8	-76.8	171.8	0.9	0	0	110.7	L604 G605 T606 H612	L604-Q608 WeakPolarHBondContact O-CB 3.18Å; L604-Q608 WeakPolarHBondContact O-CG 3.19Å; L604-Q608 PolarHBondContact O-N 3.19Å; G605-Q608 PolarHBondContact O-N 3.34Å; T606-Q608 PolarHBondContact O-N 3.47Å; Q608-H612 WeakPolarHBondContact O-CB 3.37Å; Q608-H612 PolarHBondContact O-N 3.05Å; Q608-H612 PolarHBondContact O-ND1 3.35Å
609	E	90.2	Very high	75.3	Confident	158 Å²	158	87.5 Å²	87.5	74%	0.738	46%	0.463	S	S	*	.	H	α-helix	trans	-63.2	-42.9	178.5	-70.3	179.5	-176.8	0	0	113.1	G605 T606	G605-E609 WeakPolarHBondContact O-CG 3.43Å; G605-E609 PolarHBondContact O-N 3.31Å; G605-E609 VanDerWaalsContact O-N 3.07Å; T606-E609 PolarHBondContact O-N 3.39Å
610	L	88.8	Confident	72.4	Confident	69 Å²	69	92.8 Å²	92.8	36%	0.361	50%	0.5	S	S	.	.	H	α-helix	trans	-70	-43.8	-177.7	-71.6	171	0	0	0	112.7	P562 T606 V607	P562-L610 HydrophobicContact CB-CD1 3.39Å; P562-L610 HydrophobicContact CB-CD2 4.34Å; P562-L610 HydrophobicContact CG-CD1 4Å; T606-L610 HydrophobicContact CG2-CD1 3.67Å; T606-L610 HydrophobicContact CG2-CG 4.31Å; T606-L610 WeakPolarHBondContact O-CB 3.02Å; T606-L610 VanDerWaalsContact O-CG 3.23Å; T606-L610 WeakPolarHBondContact O-CG 3.28Å; T606-L610 PolarHBondContact O-N 3.27Å; V607-L610 PolarHBondContact O-N 2.91Å
611	Y	85.9	Confident	69.4	Low	19 Å²	19	102.4 Å²	102.4	8%	0.075	53%	0.534	C	S	.	.	H	α-helix	trans	-107.8	-8.5	-167.4	-55.7	-32.1	0	0	0	114.8	H563 A565 P566 T584 V607 R613 M614	H563-Y611 PolarHBondContact O-OH 3.31Å; A565-Y611 PolarHBondContact O-OH 2.83Å; P566-Y611 HydrophobicContact CG-CD2 3.98Å; P566-Y611 HydrophobicContact CG-CE2 4Å; P566-Y611 HydrophobicContact CG-CG 4.32Å; T584-Y611 HydrophobicContact CG2-CD2 3.79Å; T584-Y611 HydrophobicContact CG2-CE2 4.27Å; V607-Y611 HydrophobicContact CG1-CD2 3.7Å; V607-Y611 HydrophobicContact CG1-CE2 4.12Å; V607-Y611 WeakPolarHBondContact O-CB 3.44Å; V607-Y611 PolarHBondContact O-N 3Å; Y611-R613 PolarHBondContact O-N 3.01Å; Y611-R613 VanDerWaalsContact O-N 3.13Å; Y611-M614 HydrophobicContact CD1-CE 3.18Å; Y611-M614 HydrophobicContact CE1-CE 3.88Å; Y611-M614 HydrophobicContact CG-CE 3.9Å; Y611-M614 PolarHBondContact O-N 3.47Å
612	H	71.6	Confident	66.4	Low	135 Å²	135	100.8 Å²	100.8	63%	0.625	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-56.8	-27.9	173.3	-103.4	48.4	0	0	0	113.2	Q608 M614	Q608-H612 WeakPolarHBondContact O-CB 3.37Å; Q608-H612 PolarHBondContact O-N 3.05Å; Q608-H612 PolarHBondContact O-ND1 3.35Å; H612-M614 PolarHBondContact O-N 3.33Å
613	R	55.5	Low	63.5	Low	233 Å²	233	106 Å²	106	88%	0.879	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-75.4	-8.7	179.1	-62.6	-173.8	-168.4	-178.9	4.9	114.1	Y611	Y611-R613 PolarHBondContact O-N 3.01Å; Y611-R613 VanDerWaalsContact O-N 3.13Å
614	M	53.7	Low	60.5	Low	99 Å²	99	110.6 Å²	110.6	49%	0.488	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-97.5	3.1	-178.9	-73	-168.9	-79.1	0	0	114.3	Y611 H612	Y611-M614 HydrophobicContact CD1-CE 3.18Å; Y611-M614 HydrophobicContact CE1-CE 3.88Å; Y611-M614 HydrophobicContact CG-CE 3.9Å; Y611-M614 PolarHBondContact O-N 3.47Å; H612-M614 PolarHBondContact O-N 3.33Å
615	T	42.9	Very low	57.6	Low	93 Å²	93	113.1 Å²	113.1	57%	0.571	63%	0.627	S	S	*	*			trans	-120.3	83.8	172.5	26.5	0	0	0	0	112.1	G617	T615-G617 VanDerWaalsContact C-N 3.31Å; T615-G617 PolarHBondContact O-N 3.14Å
616	P	38	Very low	54.8	Low	133 Å²	133	116.8 Å²	116.8	86%	0.864	65%	0.654	S	S	*	*			trans	-79.3	87.1	154.3	26.2	-15.6	0	0	0	107.7
617	G	42.2	Very low	52	Low	71 Å²	71	120.6 Å²	120.6	73%	0.732	68%	0.682	S	S	*	*	S	Bend	trans	157	47	171.9	0	0	0	0	0	118.1	T615	T615-G617 VanDerWaalsContact C-N 3.31Å; T615-G617 PolarHBondContact O-N 3.14Å
618	S	34.9	Very low	49	Very low	101 Å²	101	127.6 Å²	127.6	71%	0.706	72%	0.719	S	S	*	*			trans	-155.2	31.6	163.1	60.7	0	0	0	0	114.7
619	V	37.3	Very low	46.3	Very low	143 Å²	143	131.6 Å²	131.6	87%	0.867	74%	0.738	S	S	*	*			trans	-115.3	91.1	165.5	-171.6	0	0	0	0	109.3
620	S	34.1	Very low	43.5	Very low	113 Å²	113	132.9 Å²	132.9	79%	0.79	75%	0.746	S	S	*	*	S	Bend	trans	168.5	58.2	146.4	51.8	0	0	0	0	111.6
621	R	32.6	Very low	40.9	Very low	239 Å²	239	140.5 Å²	140.5	90%	0.902	77%	0.77	S	S	*	*	S	Bend	trans	-144.5	65.6	157.1	-77.6	-165.7	177.8	177.9	-0.7	109.5
622	N	32.6	Very low	38.5	Very low	166 Å²	166	149.1 Å²	149.1	89%	0.888	81%	0.811	S	S	*	*	S	Bend	trans	-160.3	26	158.3	-99.9	-8.8	0	0	0	113.8
623	E	32.9	Very low	36.7	Very low	198 Å²	198	151.2 Å²	151.2	93%	0.925	82%	0.821	S	S	*	*	S	Bend	trans	-138.9	60.8	164.4	-73.8	-169.7	162.8	0	0	109.5
624	A	33.7	Very low	35.5	Very low	97 Å²	97	149.7 Å²	149.7	80%	0.802	82%	0.821	S	S	*	*	S	Bend	trans	-161.1	63.3	167	0	0	0	0	0	110.4
625	S	33.5	Very low	34.4	Very low	125 Å²	125	155.1 Å²	155.1	87%	0.874	84%	0.842	S	S	*	*	S	Bend	trans	-155.4	16.4	162.1	67.4	0	0	0	0	115
626	A	34.5	Very low	34	Very low	104 Å²	104	156 Å²	156	86%	0.86	85%	0.852	S	S	*	*	S	Bend	trans	-125.1	21.5	-179.2	0	0	0	0	0	114.5
627	S	31.9	Very low	33.7	Very low	113 Å²	113	162 Å²	162	79%	0.79	87%	0.871	S	S	*	*	S	Bend	trans	-143	33	-178.5	44.5	0	0	0	0	114.4
628	D	31.5	Very low	33.3	Very low	157 Å²	157	166.6 Å²	166.6	84%	0.84	88%	0.878	S	S	*	*	S	Bend	trans	-132.1	30.1	173.6	-128.9	0.3	0	0	0	114.2
629	Q	33.8	Very low	33.2	Very low	197 Å²	197	170 Å²	170	92%	0.921	89%	0.888	S	S	*	*	S	Bend	trans	-119.3	17.2	171.7	-92.1	-170.8	-9.8	0	0	114.5
630	M	32.8	Very low	33	Very low	185 Å²	185	171.5 Å²	171.5	91%	0.911	89%	0.889	S	S	*	*	S	Bend	trans	-140.9	61.2	176.7	-110.1	-169.1	-140.6	0	0	111.7
631	R	33.4	Very low	32.9	Very low	230 Å²	230	174.9 Å²	174.9	87%	0.868	89%	0.894	S	S	*	*	S	Bend	trans	-161.9	47.7	166.8	-112.4	167.5	-157.5	-148.6	6.5	113.9
632	H	34.5	Very low	33	Very low	199 Å²	199	170.9 Å²	170.9	92%	0.921	89%	0.894	S	S	*	*	S	Bend	trans	-152.7	62.8	158	-97.8	-61.1	0	0	0	111.4
633	Q	34.8	Very low	33	Very low	179 Å²	179	171.3 Å²	171.3	84%	0.836	89%	0.894	S	S	*	*	S	Bend	trans	-142.1	143	149.9	-98.3	-177.7	-4.4	0	0	106.4
634	F	30.8	Very low	33	Very low	202 Å²	202	169.4 Å²	169.4	89%	0.886	89%	0.892	S	S	*	*			trans	85.7	75.2	-165.6	-62	-80.7	0	0	0	116.8
635	K	30.1	Very low	32.9	Very low	212 Å²	212	174.9 Å²	174.9	92%	0.922	90%	0.899	S	S	*	*				-150.8	84.5	125.5	-105.8	178.3	-177.8	-175.2	0	109.2
636	S	34.4	Very low	32.9	Very low	113 Å²	113	179.1 Å²	179.1	79%	0.79	90%	0.901	S	S	*	*			trans	-116.9	128.6	152.2	166	0	0	0	0	104.9
637	M	32.1	Very low	32.7	Very low	258 Å²	258	185.9 Å²	185.9	100%	1.271	91%	0.905	S	S	*	*			trans	83.5	0	-168.6	-65.8	-178.3	137.3	0	0	115.7

Retrieved 637 of 637 residues in 164.1 ms (Link to these results)

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