A0A087XWX2_POEFO Loading...

Cholinergic receptor, nicotinic, alpha 4b

After binding acetylcholine, the AChR responds by an extensive change in conformation that affects all subunits and leads to opening of an ion-conducting channel across the plasma membrane.

AlphaFold DB , UniProt , Accession A0A087XWX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 641 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	34.9	Very low	33.8	Very low	190 Å²	190	166.5 Å²	166.5	100%	1.152	85%	0.849	S	S	*	*				0	119.7	0	171.8	0	0	0	0	108
2	M	30.9	Very low	34	Very low	169 Å²	169	165 Å²	165	83%	0.833	84%	0.842	S	S	*	*			trans	49.1	104.3	159.7	-79.5	171.5	166.6	0	0	121
3	T	33.2	Very low	33.9	Very low	113 Å²	113	166.7 Å²	166.7	69%	0.693	84%	0.84	S	S	*	*				27.2	130	112.7	57	0	0	0	0	118.8
4	L	34.3	Very low	34.3	Very low	166 Å²	166	166.8 Å²	166.8	87%	0.869	84%	0.843	S	S	*	*				176.4	141.8	104.3	-94.6	154.4	0	0	0	112
5	R	34.5	Very low	34.3	Very low	235 Å²	235	167.5 Å²	167.5	89%	0.887	85%	0.846	S	S	*	*			trans	-112.4	124.4	175.9	177.4	-174.3	-171.5	178.8	3.5	107.2
6	E	33.3	Very low	34.7	Very low	182 Å²	182	164.2 Å²	164.2	85%	0.85	84%	0.842	S	S	*	*			trans	-138.2	111.2	163.6	-87.6	-175.3	138.9	0	0	107.3
7	K	35.9	Very low	34.8	Very low	180 Å²	180	160.1 Å²	160.1	78%	0.783	83%	0.832	S	S	*	*				62.8	102.9	88	-88.5	-168.8	179.8	178.5	0	114.4
8	N	32.7	Very low	35.2	Very low	141 Å²	141	157.9 Å²	157.9	75%	0.754	83%	0.833	S	S	*	*				158.6	136.5	99.1	-88.9	-16.5	0	0	0	114
9	N	31.7	Very low	35.3	Very low	152 Å²	152	159.2 Å²	159.2	81%	0.813	83%	0.831	S	S	*	*			trans	-3.3	132.1	157.4	-69.7	-7.2	0	0	0	120.4
10	T	34.5	Very low	35.4	Very low	136 Å²	136	157.4 Å²	157.4	83%	0.834	83%	0.829	S	S	*	*			trans	-146.6	122.1	136.2	-53.5	0	0	0	0	109.9
11	L	35.6	Very low	35.4	Very low	167 Å²	167	154.1 Å²	154.1	87%	0.874	82%	0.819	S	S	*	*			trans	-78.5	137.9	176	-158.5	95.6	0	0	0	108.7
12	I	36.1	Very low	35.5	Very low	149 Å²	149	151.6 Å²	151.6	76%	0.764	80%	0.804	S	S	*	*			trans	-163.5	117.5	153.4	-94.7	140.7	0	0	0	111.3
13	F	33.7	Very low	35.7	Very low	187 Å²	187	152.7 Å²	152.7	82%	0.82	80%	0.8	S	S	*	*			trans	47.8	115.4	146.4	-79.1	-97.6	0	0	0	123.3
14	L	38.6	Very low	36	Very low	168 Å²	168	151.5 Å²	151.5	88%	0.88	80%	0.797	S	S	*	*			trans	-56.5	125.6	148.7	-72.1	158.1	0	0	0	110.9
15	M	35.2	Very low	36.4	Very low	178 Å²	178	151.9 Å²	151.9	88%	0.877	79%	0.794	S	S	*	*			trans	-128.3	107.4	153.4	-85.9	-68.1	-114.5	0	0	108.6	S17	M15-S17 PolarHBondContact O-N 2.87Å
16	S	39.7	Very low	37.2	Very low	114 Å²	114	146 Å²	146	80%	0.797	78%	0.784	S	S	*	*			trans	-63.3	120.2	165.3	50.6	0	0	0	0	110
17	S	37	Very low	38.5	Very low	94 Å²	94	138.2 Å²	138.2	66%	0.657	75%	0.753	S	S	*	*			trans	-135	113.3	155.2	57.9	0	0	0	0	109	M15 F19	M15-S17 PolarHBondContact O-N 2.87Å; S17-F19 PolarHBondContact O-N 3.27Å
18	S	42.1	Very low	40.4	Very low	122 Å²	122	134.1 Å²	134.1	85%	0.853	75%	0.745	S	S	*	*			trans	-73.5	103.6	176.8	-47	0	0	0	0	108.8
19	F	37.8	Very low	42.7	Very low	181 Å²	181	133 Å²	133	79%	0.794	73%	0.73	S	S	*	*			trans	-104.8	125.5	157.9	-80.1	-85.5	0	0	0	107.6	S17 S21	S17-F19 PolarHBondContact O-N 3.27Å; F19-S21 PolarHBondContact O-N 3.47Å
20	P	37.5	Very low	45.3	Very low	123 Å²	123	129 Å²	129	80%	0.799	72%	0.718	S	S	*	*			trans	-70.3	90.4	164.4	28.7	-27.8	0	0	0	106.7	V22	P20-V22 PolarHBondContact O-N 2.85Å
21	S	34	Very low	47.8	Very low	89 Å²	89	128.4 Å²	128.4	62%	0.622	71%	0.705	S	S	*	*			trans	-66.9	104.2	162.5	-164.2	0	0	0	0	105.8	F19 Y23	F19-S21 PolarHBondContact O-N 3.47Å; S21-Y23 PolarHBondContact O-N 2.9Å
22	V	37.8	Very low	50.4	Low	138 Å²	138	120.5 Å²	120.5	84%	0.836	67%	0.665	S	S	*	*			trans	-63.6	85.1	159.5	177.4	0	0	0	0	104.9	P20 S24	P20-V22 PolarHBondContact O-N 2.85Å; V22-S24 PolarHBondContact O-N 3.06Å
23	Y	35.1	Very low	53.1	Low	191 Å²	191	116.7 Å²	116.7	75%	0.749	64%	0.644	S	S	*	*			trans	-66.1	93.5	165.7	-127.9	-92.6	0	0	0	104.6	S21 Q25	S21-Y23 PolarHBondContact O-N 2.9Å; Y23-Q25 HydrophobicContact CD1-CG 4.43Å; Y23-Q25 PolarHBondContact O-N 2.78Å
24	S	38.6	Very low	55.9	Low	89 Å²	89	113.3 Å²	113.3	62%	0.622	63%	0.63	S	S	*	*			trans	-56.5	97.4	150.6	175.1	0	0	0	0	104.4	V22 V26	V22-S24 PolarHBondContact O-N 3.06Å; S24-V26 PolarHBondContact O-N 3.19Å
25	Q	42.3	Very low	58.5	Low	174 Å²	174	110.7 Å²	110.7	81%	0.813	61%	0.609	S	S	*	*			trans	-64.7	82.5	162.1	-79	-167.6	-13.1	0	0	105.4	Y23 G27	Y23-Q25 HydrophobicContact CD1-CG 4.43Å; Y23-Q25 PolarHBondContact O-N 2.78Å; Q25-G27 PolarHBondContact O-N 3.38Å
26	V	52	Low	61.4	Low	110 Å²	110	102.2 Å²	102.2	67%	0.667	57%	0.567	S	S	*	*			trans	-62.4	102.5	152.4	-177.6	0	0	0	0	102.7	S24	S24-V26 PolarHBondContact O-N 3.19Å
27	G	60.3	Low	64	Low	20 Å²	20	100 Å²	100	21%	0.206	55%	0.546	C	S	.	.			trans	-52.1	152.8	170.2	0	0	0	0	0	108.3	Q25 R29 E102	Q25-G27 PolarHBondContact O-N 3.38Å; G27-R29 PolarHBondContact O-N 3.23Å; G27-E102 WeakPolarHBondContact CA-OE1 3.39Å; G27-E102 PolarHBondContact N-OE1 3Å; G27-E102 VanDerWaalsContact O-OE2 3.14Å
28	P	77.2	Confident	66.7	Low	94 Å²	94	101.1 Å²	101.1	61%	0.61	54%	0.541	S	S	*	.			trans	-58.1	121.8	171.4	21.8	-28.1	0	0	0	107.8	A30 H31	P28-A30 PolarHBondContact O-N 3.13Å; P28-H31 HydrophobicContact CG-CB 4.13Å; P28-H31 VanDerWaalsContact O-CB 3.32Å; P28-H31 WeakPolarHBondContact O-CB 3.3Å; P28-H31 PolarHBondContact O-N 3.14Å
29	R	80.2	Confident	69.1	Low	117 Å²	117	99.7 Å²	99.7	44%	0.442	52%	0.523	S	S	.	.	H	α-helix	trans	-43.6	-33.1	179.9	-175	-179.1	174.7	111.7	-5.6	114.1	G27 H31 A32 E33 E102 N103 V104	G27-R29 PolarHBondContact O-N 3.23Å; R29-H31 VanDerWaalsContact C-N 3.31Å; R29-H31 PolarHBondContact O-N 3.33Å; R29-A32 PolarHBondContact O-N 3.44Å; R29-E33 IonicContact NE-OE1 3.29Å; R29-E33 PolarHBondContact NE-OE1 2.88Å; R29-E33 WeakPolarHBondContact O-CG 3.46Å; R29-E33 PolarHBondContact O-N 3.3Å; R29-E102 WeakPolarHBondContact CA-OE2 3.44Å; R29-N103 PolarHBondContact NH1-O 2.66Å; R29-V104 HydrophobicContact CG-CG2 4.01Å
30	A	85.3	Confident	71.8	Confident	68 Å²	68	92.2 Å²	92.2	56%	0.562	49%	0.492	S	S	*	.	H	α-helix	trans	-58.4	-38.2	174.5	0	0	0	0	0	113.6	P28 E33 E34	P28-A30 PolarHBondContact O-N 3.13Å; A30-E33 PolarHBondContact O-N 2.79Å; A30-E34 WeakPolarHBondContact O-CB 3.48Å; A30-E34 PolarHBondContact O-N 3.29Å
31	H	88.9	Confident	74.6	Confident	123 Å²	123	88.4 Å²	88.4	57%	0.569	46%	0.463	S	S	*	.	H	α-helix	trans	-71.5	-33.6	177.8	-165.1	-51.2	0	0	0	111.7	P28 R29 R35	P28-H31 HydrophobicContact CG-CB 4.13Å; P28-H31 VanDerWaalsContact O-CB 3.32Å; P28-H31 WeakPolarHBondContact O-CB 3.3Å; P28-H31 PolarHBondContact O-N 3.14Å; R29-H31 VanDerWaalsContact C-N 3.31Å; R29-H31 PolarHBondContact O-N 3.33Å; H31-R35 WeakPolarHBondContact O-CB 3.3Å; H31-R35 PolarHBondContact O-N 3.19Å; H31-R35 VanDerWaalsContact O-N 3.12Å
32	A	89.8	Confident	77.3	Confident	2 Å²	2	87.2 Å²	87.2	2%	0.017	46%	0.458	C	S	.	.	H	α-helix	trans	-68.9	-41.6	171.5	0	0	0	0	0	111.7	R29 R35 L36 E102	R29-A32 PolarHBondContact O-N 3.44Å; A32-R35 PolarHBondContact O-N 3.17Å; A32-L36 WeakPolarHBondContact O-CB 3.18Å; A32-L36 PolarHBondContact O-N 3.01Å; A32-E102 HydrophobicContact CB-CB 4.15Å; A32-E102 HydrophobicContact CB-CG 3.96Å; A32-E102 WeakPolarHBondContact CB-OE2 3.37Å
33	E	92.1	Very high	79.9	Confident	69 Å²	69	89.3 Å²	89.3	32%	0.322	46%	0.458	S	S	.	.	H	α-helix	trans	-63.6	-41.4	175.3	-74.4	-178.5	-171.5	0	0	112.4	R29 A30 L36 L37 V104 I107	R29-E33 IonicContact NE-OE1 3.29Å; R29-E33 PolarHBondContact NE-OE1 2.88Å; R29-E33 WeakPolarHBondContact O-CG 3.46Å; R29-E33 PolarHBondContact O-N 3.3Å; A30-E33 PolarHBondContact O-N 2.79Å; E33-L36 WeakPolarHBondContact O-CB 3.43Å; E33-L36 PolarHBondContact O-N 3Å; E33-L37 WeakPolarHBondContact O-CB 3.42Å; E33-L37 PolarHBondContact O-N 3.19Å; E33-V104 HydrophobicContact CG-CB 4.44Å; E33-V104 HydrophobicContact CG-CG1 3.93Å; E33-V104 HydrophobicContact CG-CG2 3.62Å; E33-I107 HydrophobicContact CG-CG2 4.44Å
34	E	92.6	Very high	82.7	Confident	115 Å²	115	81.8 Å²	81.8	54%	0.537	43%	0.429	S	S	.	.	H	α-helix	trans	-64.4	-46.7	176.3	-177.4	173.4	-173.6	0	0	111.8	A30 L36 L37 Q38	A30-E34 WeakPolarHBondContact O-CB 3.48Å; A30-E34 PolarHBondContact O-N 3.29Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 3.46Å; E34-L37 PolarHBondContact O-N 2.98Å; E34-Q38 WeakPolarHBondContact O-CG 3.43Å; E34-Q38 PolarHBondContact O-N 2.82Å
35	R	93.9	Very high	85.4	Confident	113 Å²	113	81.7 Å²	81.7	43%	0.426	42%	0.421	S	S	.	.	H	α-helix	trans	-60.4	-42.5	175.7	-177.1	179.8	63.2	172.5	2.8	111.7	H31 A32 Q38 N39 E100 Y101	H31-R35 WeakPolarHBondContact O-CB 3.3Å; H31-R35 PolarHBondContact O-N 3.19Å; H31-R35 VanDerWaalsContact O-N 3.12Å; A32-R35 PolarHBondContact O-N 3.17Å; R35-Q38 PolarHBondContact O-N 2.98Å; R35-N39 WeakPolarHBondContact O-CB 3.38Å; R35-N39 VanDerWaalsContact O-CG 3.26Å; R35-N39 PolarHBondContact O-N 2.82Å; R35-N39 PolarHBondContact O-ND2 3.4Å; R35-E100 PolarHBondContact NH2-O 2.79Å; R35-E100 VanDerWaalsContact NH2-O 3.1Å; R35-Y101 HydrophobicContact CG-CE1 4.45Å
36	L	94.6	Very high	87.9	Confident	1 Å²	1	79 Å²	79	1%	0.005	41%	0.407	C	S	.	.	H	α-helix	trans	-58.7	-48.1	174.9	174.8	62.2	0	0	0	110.9	A32 E33 E34 Q38 N39 L40 W96 Y101 V104 I107	A32-L36 WeakPolarHBondContact O-CB 3.18Å; A32-L36 PolarHBondContact O-N 3.01Å; E33-L36 WeakPolarHBondContact O-CB 3.43Å; E33-L36 PolarHBondContact O-N 3Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 3.46Å; L36-Q38 PolarHBondContact O-N 2.98Å; L36-N39 PolarHBondContact O-N 3.15Å; L36-L40 HydrophobicContact CD1-CD1 3.8Å; L36-L40 HydrophobicContact CD1-CG 3.92Å; L36-L40 HydrophobicContact CD2-CD1 4.48Å; L36-L40 HydrophobicContact CG-CD1 3.82Å; L36-L40 HydrophobicContact CG-CG 4.33Å; L36-L40 WeakPolarHBondContact O-CB 3.49Å; L36-L40 WeakPolarHBondContact O-CG 3.16Å; L36-L40 PolarHBondContact O-N 3.1Å; L36-W96 HydrophobicContact CD1-CB 3.71Å; L36-W96 HydrophobicContact CD1-CD2 3.97Å; L36-W96 HydrophobicContact CD1-CG 3.59Å; L36-W96 HydrophobicContact CD2-CD2 3.93Å; L36-W96 HydrophobicContact CD2-CG 4.12Å; L36-W96 HydrophobicContact CD2-CZ2 4.11Å; L36-Y101 HydrophobicContact CB-CD1 3.62Å; L36-Y101 HydrophobicContact CB-CE1 3.76Å; L36-Y101 HydrophobicContact CB-CG 4.17Å; L36-Y101 HydrophobicContact CD1-CD1 4.15Å; L36-Y101 HydrophobicContact CD1-CD2 3.93Å; L36-Y101 HydrophobicContact CD1-CE1 3.98Å; L36-Y101 HydrophobicContact CD1-CE2 3.77Å; L36-Y101 HydrophobicContact CD1-CG 4.12Å; L36-Y101 HydrophobicContact CG-CD1 4.39Å; L36-Y101 HydrophobicContact CG-CE1 4.49Å; L36-V104 HydrophobicContact CD2-CG1 4.1Å; L36-I107 HydrophobicContact CD2-CD1 4.38Å; L36-I107 HydrophobicContact CD2-CG2 4.19Å
37	L	94.4	Very high	89.8	Confident	68 Å²	68	80.3 Å²	80.3	36%	0.356	41%	0.409	S	S	.	.	H	α-helix	trans	-64.1	-42.1	-178.3	-168.1	135.5	0	0	0	111.7	E33 E34 N39 L40 F41 I109	E33-L37 WeakPolarHBondContact O-CB 3.42Å; E33-L37 PolarHBondContact O-N 3.19Å; E34-L37 PolarHBondContact O-N 2.98Å; L37-N39 VanDerWaalsContact C-N 3.35Å; L37-N39 PolarHBondContact O-N 3.02Å; L37-L40 PolarHBondContact O-N 3.29Å; L37-F41 HydrophobicContact CD1-CE2 4.49Å; L37-F41 HydrophobicContact CD2-CD2 4.32Å; L37-F41 HydrophobicContact CG-CD2 3.96Å; L37-F41 HydrophobicContact CG-CE2 4.12Å; L37-F41 WeakPolarHBondContact O-CD2 3.42Å; L37-F41 PolarHBondContact O-N 3.31Å; L37-I109 HydrophobicContact CD1-CG2 4.01Å
38	Q	93.5	Very high	91.4	Very high	116 Å²	116	81 Å²	81	54%	0.542	41%	0.411	S	S	.	.	H	α-helix	trans	-60.7	-43.3	174.4	-70.9	177.9	4.9	0	0	112	E34 R35 L36 A42	E34-Q38 WeakPolarHBondContact O-CG 3.43Å; E34-Q38 PolarHBondContact O-N 2.82Å; R35-Q38 PolarHBondContact O-N 2.98Å; L36-Q38 PolarHBondContact O-N 2.98Å; Q38-A42 PolarHBondContact O-N 3.06Å
39	N	94	Very high	92.3	Very high	92 Å²	92	78.5 Å²	78.5	49%	0.492	39%	0.389	S	S	.	.	H	α-helix	trans	-67	-43.1	179.1	-72.9	-12.6	0	0	0	112.6	R35 L36 L37 F41 Y101	R35-N39 WeakPolarHBondContact O-CB 3.38Å; R35-N39 VanDerWaalsContact O-CG 3.26Å; R35-N39 PolarHBondContact O-N 2.82Å; R35-N39 PolarHBondContact O-ND2 3.4Å; L36-N39 PolarHBondContact O-N 3.15Å; L37-N39 VanDerWaalsContact C-N 3.35Å; L37-N39 PolarHBondContact O-N 3.02Å; N39-F41 PolarHBondContact O-N 3.06Å; N39-Y101 PolarHBondContact ND2-OH 2.81Å
40	L	94.2	Very high	93.1	Very high	24 Å²	24	73.3 Å²	73.3	13%	0.126	37%	0.371	C	S	.	.	H	α-helix	trans	-64.2	-38.6	-179	-75.2	173.5	0	0	0	112.5	L36 L37 L94 W96 I107 L139	L36-L40 HydrophobicContact CD1-CD1 3.8Å; L36-L40 HydrophobicContact CD1-CG 3.92Å; L36-L40 HydrophobicContact CD2-CD1 4.48Å; L36-L40 HydrophobicContact CG-CD1 3.82Å; L36-L40 HydrophobicContact CG-CG 4.33Å; L36-L40 WeakPolarHBondContact O-CB 3.49Å; L36-L40 WeakPolarHBondContact O-CG 3.16Å; L36-L40 PolarHBondContact O-N 3.1Å; L37-L40 PolarHBondContact O-N 3.29Å; L40-L94 HydrophobicContact CB-CD2 4.39Å; L40-W96 HydrophobicContact CD1-CE3 4.04Å; L40-W96 HydrophobicContact CD1-CZ3 4.31Å; L40-W96 HydrophobicContact CD2-CE3 4.44Å; L40-I107 HydrophobicContact CD1-CD1 4.06Å; L40-L139 HydrophobicContact CD1-CD2 4.44Å
41	F	95.4	Very high	93.5	Very high	44 Å²	44	71.2 Å²	71.2	19%	0.193	35%	0.351	C	S	.	.	H	α-helix	trans	-97.3	-2.4	-173.4	-70.4	-74	0	0	0	115.1	L37 N39 H43 Y44 L94 I109 I113 I114	L37-F41 HydrophobicContact CD1-CE2 4.49Å; L37-F41 HydrophobicContact CD2-CD2 4.32Å; L37-F41 HydrophobicContact CG-CD2 3.96Å; L37-F41 HydrophobicContact CG-CE2 4.12Å; L37-F41 WeakPolarHBondContact O-CD2 3.42Å; L37-F41 PolarHBondContact O-N 3.31Å; N39-F41 PolarHBondContact O-N 3.06Å; F41-H43 PolarHBondContact O-N 3.25Å; F41-H43 VanDerWaalsContact O-N 3.16Å; F41-Y44 HydrophobicContact CD1-CD1 4.14Å; F41-Y44 HydrophobicContact CD1-CG 4.14Å; F41-Y44 HydrophobicContact CE1-CD1 4.16Å; F41-Y44 HydrophobicContact CE1-CG 4.37Å; F41-Y44 PolarHBondContact O-N 3.17Å; F41-L94 HydrophobicContact CE1-CD2 4.36Å; F41-L94 HydrophobicContact CZ-CD2 4.35Å; F41-I109 HydrophobicContact CE2-CG2 4.23Å; F41-I109 HydrophobicContact CZ-CD1 4.04Å; F41-I109 HydrophobicContact CZ-CG2 4.46Å; F41-I113 HydrophobicContact CD1-CD1 4.39Å; F41-I113 HydrophobicContact CD2-CD1 4.38Å; F41-I113 HydrophobicContact CE1-CD1 3.93Å; F41-I113 HydrophobicContact CE1-CG1 4.11Å; F41-I113 HydrophobicContact CE2-CD1 3.92Å; F41-I113 HydrophobicContact CZ-CD1 3.69Å; F41-I113 HydrophobicContact CZ-CG1 4.15Å; F41-I114 HydrophobicContact CE1-CG2 3.85Å; F41-I114 HydrophobicContact CZ-CG2 3.88Å
42	A	92.3	Very high	93.7	Very high	63 Å²	63	71.7 Å²	71.7	52%	0.521	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.2	-179.7	0	0	0	0	0	113.7	Q38	Q38-A42 PolarHBondContact O-N 3.06Å
43	H	90.4	Very high	94	Very high	182 Å²	182	76 Å²	76	84%	0.843	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	25.3	-177.8	-58.7	-48.9	0	0	0	113.3	F41	F41-H43 PolarHBondContact O-N 3.25Å; F41-H43 VanDerWaalsContact O-N 3.16Å
44	Y	95.8	Very high	94	Very high	33 Å²	33	79 Å²	79	13%	0.129	40%	0.4	C	S	.	.			trans	-86	125.4	-178.8	-169.7	-94.3	0	0	0	111.5	F41 K46 D91 K93 L94 I114 W115	F41-Y44 HydrophobicContact CD1-CD1 4.14Å; F41-Y44 HydrophobicContact CD1-CG 4.14Å; F41-Y44 HydrophobicContact CE1-CD1 4.16Å; F41-Y44 HydrophobicContact CE1-CG 4.37Å; F41-Y44 PolarHBondContact O-N 3.17Å; Y44-K46 HydrophobicContact CE1-CB 4.35Å; Y44-D91 VanDerWaalsContact CE2-OD2 3.3Å; Y44-D91 WeakPolarHBondContact CE2-OD2 3.46Å; Y44-D91 PolarHBondContact OH-OD2 3.14Å; Y44-K93 HydrophobicContact CD2-CB 4.24Å; Y44-K93 HydrophobicContact CD2-CD 4.33Å; Y44-K93 HydrophobicContact CE2-CB 4.21Å; Y44-K93 HydrophobicContact CE2-CD 4.42Å; Y44-L94 HydrophobicContact CD2-CD2 3.94Å; Y44-L94 HydrophobicContact CD2-CG 4.26Å; Y44-L94 HydrophobicContact CE2-CD1 3.93Å; Y44-L94 HydrophobicContact CE2-CD2 3.96Å; Y44-L94 HydrophobicContact CE2-CG 3.78Å; Y44-I114 HydrophobicContact CE1-CB 4.49Å; Y44-W115 WeakPolarHBondContact OH-CB 3.34Å; Y44-W115 PolarHBondContact OH-N 2.8Å
45	N	94.5	Very high	94.1	Very high	88 Å²	88	78 Å²	78	47%	0.471	41%	0.405	S	S	.	.			trans	-107.2	109	174.2	-174.8	-17.1	0	0	0	110.3	L47 S48	N45-L47 PolarHBondContact O-N 3.27Å; N45-L47 PolarHBondContact OD1-N 2.94Å; N45-S48 PolarHBondContact O-N 3.2Å; N45-S48 VanDerWaalsContact O-N 3.12Å; N45-S48 PolarHBondContact O-OG 2.66Å
46	K	93.8	Very high	94.2	Very high	116 Å²	116	75.9 Å²	75.9	50%	0.504	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.9	-178.6	69.2	-179.9	-176.8	179.2	0	115.3	Y44 W115	Y44-K46 HydrophobicContact CE1-CB 4.35Å; K46-W115 WeakPolarHBondContact O-CA 3.04Å; K46-W115 WeakPolarHBondContact O-CB 3.08Å
47	L	93.7	Very high	94.2	Very high	138 Å²	138	78.9 Å²	78.9	72%	0.723	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-15.6	179.5	-58.5	179	0	0	0	112.1	N45	N45-L47 PolarHBondContact O-N 3.27Å; N45-L47 PolarHBondContact OD1-N 2.94Å
48	S	93.9	Very high	94.3	Very high	35 Å²	35	76 Å²	76	25%	0.245	41%	0.406	C	S	.	.	S	Bend	trans	-81.4	124.8	179.7	68.4	0	0	0	0	111	N45 K93	N45-S48 PolarHBondContact O-N 3.2Å; N45-S48 VanDerWaalsContact O-N 3.12Å; N45-S48 PolarHBondContact O-OG 2.66Å; S48-K93 PolarHBondContact OG-NZ 3.09Å
49	R	95.6	Very high	94.5	Very high	41 Å²	41	74.4 Å²	74.4	16%	0.155	40%	0.401	C	S	.	.			trans	-59.7	130.3	172.8	-175.7	179.8	66.8	127.4	1.1	109.8	V51 T54 D56 V58 W115 K184	R49-V51 VanDerWaalsContact C-N 3.32Å; R49-V51 HydrophobicContact CG-CG1 4.4Å; R49-V51 PolarHBondContact O-N 2.92Å; R49-T54 PolarHBondContact NH2-O 2.98Å; R49-D56 VanDerWaalsContact CZ-O 3.3Å; R49-D56 PolarHBondContact NH1-O 3.3Å; R49-D56 PolarHBondContact NH2-O 3.39Å; R49-V58 HydrophobicContact CG-CG2 3.84Å; R49-W115 HydrophobicContact CG-CZ2 4.17Å; R49-K184 VanDerWaalsContact NH1-CA 3.34Å; R49-K184 PolarHBondContact NH1-O 3.43Å
50	P	95.8	Very high	94.7	Very high	8 Å²	8	70 Å²	70	5%	0.052	38%	0.377	C	S	.	.			trans	-83.6	70.5	-168.4	34	-38.3	0	0	0	112.5	D91 W115	P50-D91 HydrophobicContact CB-CB 3.89Å; P50-D91 VanDerWaalsContact CB-OD1 3.29Å; P50-D91 WeakPolarHBondContact CB-OD1 3.42Å; P50-D91 WeakPolarHBondContact CB-OD2 3.39Å; P50-D91 HydrophobicContact CG-CB 4.37Å; P50-W115 VanDerWaalsContact CD-CE3 3.46Å; P50-W115 HydrophobicContact CG-CD2 3.91Å; P50-W115 HydrophobicContact CG-CE3 3.54Å; P50-W115 HydrophobicContact CG-CG 4.41Å; P50-W115 HydrophobicContact CG-CZ3 3.93Å
51	V	95.6	Very high	94.8	Very high	24 Å²	24	72.3 Å²	72.3	15%	0.145	39%	0.387	C	S	.	.			trans	-124.8	147.9	175.2	-66.2	0	0	0	0	111.4	R49 N53 D56 V58 Y92	R49-V51 VanDerWaalsContact C-N 3.32Å; R49-V51 HydrophobicContact CG-CG1 4.4Å; R49-V51 PolarHBondContact O-N 2.92Å; V51-N53 WeakPolarHBondContact CB-O 3.41Å; V51-N53 VanDerWaalsContact CG2-O 3.23Å; V51-N53 WeakPolarHBondContact CG2-O 3.16Å; V51-D56 HydrophobicContact CB-CB 4.46Å; V51-D56 HydrophobicContact CG1-CB 4.44Å; V51-V58 HydrophobicContact CG1-CG2 3.54Å; V51-Y92 WeakPolarHBondContact O-CE1 3.23Å
52	Q	93.1	Very high	94.9	Very high	133 Å²	133	70.2 Å²	70.2	62%	0.621	38%	0.378	S	S	*	.	S	Bend	trans	-75.6	-51	174.5	-68.8	-176.8	5.8	0	0	110.8	Y92	Q52-Y92 HydrophobicContact CG-CD1 4.1Å; Q52-Y92 HydrophobicContact CG-CD2 3.54Å; Q52-Y92 HydrophobicContact CG-CE1 4.44Å; Q52-Y92 HydrophobicContact CG-CE2 3.91Å; Q52-Y92 HydrophobicContact CG-CG 3.61Å
53	N	94.9	Very high	95.1	Very high	93 Å²	93	67.6 Å²	67.6	50%	0.497	36%	0.357	S	S	.	.	S	Bend	trans	-100.3	143.4	172.3	-56.4	-50.5	0	0	0	110.6	V51 S55 D56	V51-N53 WeakPolarHBondContact CB-O 3.41Å; V51-N53 VanDerWaalsContact CG2-O 3.23Å; V51-N53 WeakPolarHBondContact CG2-O 3.16Å; N53-S55 PolarHBondContact O-N 2.92Å; N53-D56 WeakPolarHBondContact CB-OD2 3.39Å; N53-D56 PolarHBondContact ND2-OD2 2.95Å; N53-D56 PolarHBondContact O-N 2.78Å; N53-D56 VanDerWaalsContact O-N 3.17Å
54	T	92.4	Very high	95.3	Very high	133 Å²	133	59.1 Å²	59.1	82%	0.816	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.1	178.6	50.4	0	0	0	0	113.2	R49 D56	R49-T54 PolarHBondContact NH2-O 2.98Å; T54-D56 VanDerWaalsContact C-N 3.33Å
55	S	94	Very high	95.2	Very high	93 Å²	93	57.6 Å²	57.6	65%	0.65	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-18.7	175.7	52.5	0	0	0	0	114.2	N53	N53-S55 PolarHBondContact O-N 2.92Å
56	D	95.7	Very high	95.3	Very high	68 Å²	68	53.5 Å²	53.5	36%	0.364	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-78.2	146.1	-172.9	-63.1	-13.6	0	0	0	110.6	R49 V51 N53 T54	R49-D56 VanDerWaalsContact CZ-O 3.3Å; R49-D56 PolarHBondContact NH1-O 3.3Å; R49-D56 PolarHBondContact NH2-O 3.39Å; V51-D56 HydrophobicContact CB-CB 4.46Å; V51-D56 HydrophobicContact CG1-CB 4.44Å; N53-D56 WeakPolarHBondContact CB-OD2 3.39Å; N53-D56 PolarHBondContact ND2-OD2 2.95Å; N53-D56 PolarHBondContact O-N 2.78Å; N53-D56 VanDerWaalsContact O-N 3.17Å; T54-D56 VanDerWaalsContact C-N 3.33Å
57	T	95.6	Very high	95.3	Very high	65 Å²	65	48.7 Å²	48.7	40%	0.399	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-92.5	139.2	177.3	49.2	0	0	0	0	111.1	A183	T57-A183 WeakPolarHBondContact CG2-O 3.44Å
58	V	96.8	Very high	95.3	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.042	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121	166.4	-177.2	0	0	0	0	108.3	R49 V51 V60 W89 W115 K184 I185 D186	R49-V58 HydrophobicContact CG-CG2 3.84Å; V51-V58 HydrophobicContact CG1-CG2 3.54Å; V58-V60 HydrophobicContact CG1-CG2 4.1Å; V58-W89 HydrophobicContact CG1-CB 4.29Å; V58-W115 HydrophobicContact CG1-CH2 4.17Å; V58-W115 HydrophobicContact CG1-CZ3 4.22Å; V58-K184 PolarHBondContact N-O 2.81Å; V58-I185 WeakPolarHBondContact O-CA 3.29Å; V58-D186 PolarHBondContact O-N 2.97Å; V58-D186 VanDerWaalsContact O-N 3.09Å
59	L	97	Very high	95.4	Very high	82 Å²	82	44 Å²	44	43%	0.429	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.7	173.5	-57.2	179.9	0	0	0	108.6	D186 I188	L59-D186 HydrophobicContact CD2-CB 4.1Å; L59-I188 HydrophobicContact CB-CD1 3.96Å; L59-I188 HydrophobicContact CD1-CD1 4.01Å; L59-I188 HydrophobicContact CD2-CD1 4.13Å; L59-I188 HydrophobicContact CG-CD1 4.24Å
60	V	97.7	Very high	95.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	109.5	177.7	-179.6	0	0	0	0	108	V58 F62 W89 P117 I185 D186 L187 I188	V58-V60 HydrophobicContact CG1-CG2 4.1Å; V60-F62 PolarHBondContact O-N 2.82Å; V60-W89 HydrophobicContact CG2-CB 4.3Å; V60-P117 HydrophobicContact CG1-CG 4.25Å; V60-P117 HydrophobicContact CG2-CB 4.26Å; V60-P117 HydrophobicContact CG2-CG 4.24Å; V60-I185 HydrophobicContact CG2-CG2 3.92Å; V60-D186 PolarHBondContact N-O 2.82Å; V60-L187 HydrophobicContact CB-CD2 4.11Å; V60-L187 HydrophobicContact CG1-CD2 4.36Å; V60-I188 PolarHBondContact O-N 3.2Å
61	H	97.5	Very high	95.2	Very high	73 Å²	73	48.9 Å²	48.9	34%	0.338	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	124.6	170.2	-67.9	-87.8	0	0	0	108.6	Q87 E88 I188 M190	H61-Q87 WeakPolarHBondContact O-CA 3.46Å; H61-E88 HydrophobicContact CB-CB 4.15Å; H61-E88 PolarHBondContact N-O 3.12Å; H61-E88 PolarHBondContact O-N 2.9Å; H61-I188 CarbonylContact C-O 3.52Å; H61-I188 VanDerWaalsContact CA-O 3.28Å; H61-I188 WeakPolarHBondContact CA-O 3.4Å; H61-M190 VanDerWaalsContact C-CE 3.49Å; H61-M190 HydrophobicContact CB-CE 3.82Å; H61-M190 HydrophobicContact CB-CG 4Å; H61-M190 WeakPolarHBondContact O-CE 3.28Å
62	F	96.8	Very high	95.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.2	-174.9	-171.2	-98.3	0	0	0	110.7	V60 L64 V85 K86 Q87 I119 F175 I188 S189 M190 I229 Y231	V60-F62 PolarHBondContact O-N 2.82Å; F62-L64 HydrophobicContact CE1-CD1 4.47Å; F62-L64 HydrophobicContact CE1-CD2 4.03Å; F62-L64 HydrophobicContact CE1-CG 3.97Å; F62-L64 HydrophobicContact CZ-CD2 3.86Å; F62-L64 HydrophobicContact CZ-CG 4.32Å; F62-V85 HydrophobicContact CD2-CG1 4.38Å; F62-V85 HydrophobicContact CE2-CG1 3.39Å; F62-V85 HydrophobicContact CZ-CG1 3.79Å; F62-K86 WeakPolarHBondContact CA-O 3.45Å; F62-Q87 HydrophobicContact CD2-CG 4.13Å; F62-Q87 HydrophobicContact CE2-CG 4.32Å; F62-I119 HydrophobicContact CD2-CG2 4.27Å; F62-I119 HydrophobicContact CE2-CG2 3.69Å; F62-I119 HydrophobicContact CZ-CG2 4.21Å; F62-F175 HydrophobicContact CE1-CB 3.93Å; F62-F175 HydrophobicContact CE1-CD2 4.09Å; F62-F175 AromaticContact CE1-CG 3.94Å; F62-F175 HydrophobicContact CE1-CG 3.94Å; F62-F175 HydrophobicContact CZ-CB 3.93Å; F62-F175 AromaticContact CZ-CD1 3.91Å; F62-F175 HydrophobicContact CZ-CD1 3.91Å; F62-F175 HydrophobicContact CZ-CD2 4.19Å; F62-F175 HydrophobicContact CZ-CE1 4.46Å; F62-F175 AromaticContact CZ-CG 3.73Å; F62-F175 HydrophobicContact CZ-CG 3.73Å; F62-I188 PolarHBondContact N-O 3.05Å; F62-S189 WeakPolarHBondContact O-CA 3.44Å; F62-M190 PolarHBondContact O-N 2.88Å; F62-I229 HydrophobicContact CB-CD1 4Å; F62-I229 HydrophobicContact CD1-CD1 4.1Å; F62-I229 HydrophobicContact CG-CD1 4.44Å; F62-Y231 HydrophobicContact CD1-CE2 4.06Å; F62-Y231 AromaticContact CE1-CE2 3.75Å; F62-Y231 HydrophobicContact CE1-CE2 3.75Å
63	G	95.9	Very high	95.1	Very high	7 Å²	7	43.3 Å²	43.3	7%	0.072	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156.8	175.4	0	0	0	0	0	110.9	K86	G63-K86 PolarHBondContact N-O 3.44Å; G63-K86 PolarHBondContact O-N 2.88Å
64	L	94.8	Very high	94.8	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.9	172	-66.3	177.2	0	0	0	109.4	F62 V83 V85 F175 V194 D195 Y231	F62-L64 HydrophobicContact CE1-CD1 4.47Å; F62-L64 HydrophobicContact CE1-CD2 4.03Å; F62-L64 HydrophobicContact CE1-CG 3.97Å; F62-L64 HydrophobicContact CZ-CD2 3.86Å; F62-L64 HydrophobicContact CZ-CG 4.32Å; L64-V83 HydrophobicContact CD2-CG2 4.48Å; L64-V85 HydrophobicContact CD2-CB 4.44Å; L64-V85 HydrophobicContact CD2-CG1 4.33Å; L64-V85 HydrophobicContact CD2-CG2 4.11Å; L64-F175 HydrophobicContact CD1-CD2 3.98Å; L64-F175 HydrophobicContact CD1-CE2 3.43Å; L64-F175 VanDerWaalsContact CD1-CE2 3.43Å; L64-F175 HydrophobicContact CD1-CZ 4.16Å; L64-F175 HydrophobicContact CD2-CE2 4.25Å; L64-F175 HydrophobicContact CD2-CZ 4.26Å; L64-F175 HydrophobicContact CG-CE2 4.4Å; L64-V194 HydrophobicContact CB-CG1 4.29Å; L64-D195 PolarHBondContact O-N 3.4Å; L64-Y231 HydrophobicContact CB-CE1 4.44Å; L64-Y231 HydrophobicContact CB-CE2 4.47Å; L64-Y231 HydrophobicContact CD1-CD1 4.24Å; L64-Y231 HydrophobicContact CD1-CD2 3.26Å; L64-Y231 HydrophobicContact CD1-CE1 4.34Å; L64-Y231 HydrophobicContact CD1-CE2 3.42Å; L64-Y231 VanDerWaalsContact CD1-CE2 3.42Å; L64-Y231 HydrophobicContact CD1-CG 3.68Å; L64-Y231 HydrophobicContact CG-CD2 4.1Å; L64-Y231 HydrophobicContact CG-CE2 3.72Å
65	S	95.3	Very high	94.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127	166.2	167.7	0	0	0	0	108.1	V83 W84 D195	S65-V83 CarbonylContact O-C 3.59Å; S65-V83 WeakPolarHBondContact O-CA 3.49Å; S65-W84 PolarHBondContact N-O 2.94Å; S65-W84 PolarHBondContact O-N 3.42Å; S65-D195 VanDerWaalsContact CA-O 3.27Å; S65-D195 WeakPolarHBondContact CA-O 3Å; S65-D195 PolarHBondContact OG-O 3.39Å
66	I	95.4	Very high	94.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.7	-178.1	-173.8	162.7	0	0	0	109.5	V83 V194 D195 Q196 Y199 I207 F233	I66-V83 HydrophobicContact CG1-CG1 4.39Å; I66-V194 HydrophobicContact CB-CG1 4.3Å; I66-V194 HydrophobicContact CG2-CG1 4.16Å; I66-D195 PolarHBondContact N-O 2.89Å; I66-Q196 HydrophobicContact CG2-CG 3.92Å; I66-Y199 HydrophobicContact CD1-CE2 4.43Å; I66-Y199 HydrophobicContact CG1-CD2 4.2Å; I66-Y199 HydrophobicContact CG1-CE2 4.47Å; I66-Y199 HydrophobicContact CG2-CD2 3.99Å; I66-I207 HydrophobicContact CD1-CD1 3.78Å; I66-I207 HydrophobicContact CG2-CD1 4.49Å; I66-F233 HydrophobicContact CD1-CE1 4.08Å
67	A	94.3	Very high	94	Very high	16 Å²	16	39.4 Å²	39.4	13%	0.132	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-45.6	173.2	0	0	0	0	0	110.4	N82 W200	A67-N82 HydrophobicContact CB-CB 4.44Å; A67-N82 WeakPolarHBondContact CB-O 3.46Å; A67-N82 PolarHBondContact N-O 3.4Å; A67-W200 PolarHBondContact O-N 3.21Å
68	Q	94.3	Very high	93.8	Very high	73 Å²	73	38.4 Å²	38.4	34%	0.341	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	142.9	-179.1	-168.5	-179.7	-0.8	0	0	111.2	N82 W200	Q68-N82 HydrophobicContact CB-CB 4.33Å; Q68-N82 PolarHBondContact N-O 3.47Å; Q68-N82 PolarHBondContact O-N 3.05Å; Q68-W200 HydrophobicContact CG-CB 4.48Å
69	L	95.3	Very high	93.8	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	105.2	160.5	-179.8	60.4	0	0	0	107.5	V72 M79 T81 Y199 W205 I235	L69-V72 HydrophobicContact CD1-CG2 4.09Å; L69-V72 HydrophobicContact CD2-CG2 4.25Å; L69-V72 HydrophobicContact CG-CG2 4.38Å; L69-M79 HydrophobicContact CD1-CE 3.43Å; L69-M79 VanDerWaalsContact CD1-CE 3.43Å; L69-M79 HydrophobicContact CD1-CG 4.03Å; L69-T81 HydrophobicContact CD1-CG2 3.88Å; L69-Y199 HydrophobicContact CB-CE2 4.48Å; L69-W205 HydrophobicContact CD2-CB 3.7Å; L69-W205 HydrophobicContact CD2-CG 4.26Å; L69-I235 HydrophobicContact CD2-CD1 4.3Å; L69-I235 HydrophobicContact CD2-CG2 4.33Å
70	I	93.4	Very high	93.6	Very high	74 Å²	74	35.1 Å²	35.1	38%	0.379	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-54.8	-172.5	-66.7	168.6	0	0	0	109.8	T80 N82 I152	I70-T80 HydrophobicContact CB-CG2 4.02Å; I70-T80 HydrophobicContact CD1-CG2 4.01Å; I70-T80 HydrophobicContact CG2-CG2 4.28Å; I70-T80 PolarHBondContact N-O 2.84Å; I70-N82 HydrophobicContact CD1-CB 3.96Å; I70-N82 HydrophobicContact CG1-CB 4.35Å; I70-I152 HydrophobicContact CD1-CG1 4.49Å; I70-I152 HydrophobicContact CD1-CG2 4.11Å
71	D	93.1	Very high	93.5	Very high	77 Å²	77	35.1 Å²	35.1	41%	0.412	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	150.8	-173.5	-168.5	23.7	0	0	0	111.5	T80	D71-T80 PolarHBondContact N-O 2.89Å; D71-T80 PolarHBondContact O-N 3.25Å
72	V	93.9	Very high	93.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	94.9	172.3	-177.3	0	0	0	0	106.6	L69 E74 M78 M79 I159 W205 I235	L69-V72 HydrophobicContact CD1-CG2 4.09Å; L69-V72 HydrophobicContact CD2-CG2 4.25Å; L69-V72 HydrophobicContact CG-CG2 4.38Å; V72-E74 VanDerWaalsContact O-CD 3.23Å; V72-E74 PolarHBondContact O-N 3.49Å; V72-E74 VanDerWaalsContact O-OE2 3.14Å; V72-M78 CarbonylContact C-O 3.56Å; V72-M79 HydrophobicContact CG2-CG 4.32Å; V72-I159 HydrophobicContact CG1-CD1 4.04Å; V72-W205 HydrophobicContact CB-CZ2 4.13Å; V72-W205 HydrophobicContact CG1-CZ2 4.23Å; V72-W205 HydrophobicContact CG2-CD2 4.49Å; V72-I235 HydrophobicContact CG2-CD1 3.81Å
73	D	92.1	Very high	93.2	Very high	39 Å²	39	33.8 Å²	33.8	21%	0.209	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	98.8	180	-175.2	-25.4	0	0	0	109	K75 N76 Q77 M78	D73-K75 VanDerWaalsContact C-N 3.31Å; D73-K75 PolarHBondContact O-N 2.85Å; D73-K75 PolarHBondContact OD1-N 2.9Å; D73-N76 PolarHBondContact OD1-N 3.46Å; D73-N76 PolarHBondContact OD1-ND2 2.91Å; D73-N76 PolarHBondContact OD2-ND2 2.9Å; D73-Q77 WeakPolarHBondContact O-CA 3.45Å; D73-Q77 PolarHBondContact O-N 3.48Å; D73-M78 HydrophobicContact CB-CB 4.43Å; D73-M78 PolarHBondContact N-O 2.94Å; D73-M78 PolarHBondContact O-N 3.21Å
74	E	88.9	Confident	93.1	Very high	26 Å²	26	38.2 Å²	38.2	12%	0.121	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-36.2	-177.1	-54.9	91.4	156.6	0	0	111.5	V72 Q77 I159 R237 P293	V72-E74 VanDerWaalsContact O-CD 3.23Å; V72-E74 PolarHBondContact O-N 3.49Å; V72-E74 VanDerWaalsContact O-OE2 3.14Å; E74-Q77 PolarHBondContact O-N 2.87Å; E74-I159 HydrophobicContact CB-CG2 4.22Å; E74-I159 HydrophobicContact CG-CG2 4.17Å; E74-R237 IonicContact OE1-CZ 2.94Å; E74-R237 IonicContact OE1-NH1 2.74Å; E74-R237 PolarHBondContact OE1-NH1 3.46Å; E74-R237 IonicContact OE1-NH2 2.84Å; E74-R237 PolarHBondContact OE1-NH2 3.35Å; E74-P293 VanDerWaalsContact O-CB 3.28Å; E74-P293 WeakPolarHBondContact O-CB 3.32Å; E74-P293 WeakPolarHBondContact O-CG 3.38Å
75	K	86.3	Confident	93	Very high	117 Å²	117	38 Å²	38	51%	0.509	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-46	-177.4	-179.2	176.4	-176.3	167.8	0	111.8	D73	D73-K75 VanDerWaalsContact C-N 3.31Å; D73-K75 PolarHBondContact O-N 2.85Å; D73-K75 PolarHBondContact OD1-N 2.9Å
76	N	88.6	Confident	93	Very high	97 Å²	97	40 Å²	40	52%	0.519	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-0.6	178.6	-62	-51	0	0	0	113.2	D73 M78	D73-N76 PolarHBondContact OD1-N 3.46Å; D73-N76 PolarHBondContact OD1-ND2 2.91Å; D73-N76 PolarHBondContact OD2-ND2 2.9Å; N76-M78 HydrophobicContact CB-CE 3.64Å; N76-M78 HydrophobicContact CB-CG 4.33Å; N76-M78 WeakPolarHBondContact O-CG 3.39Å
77	Q	91.1	Very high	93	Very high	65 Å²	65	40.1 Å²	40.1	30%	0.304	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	45	179.3	-61.4	-168.1	-24.8	0	0	113.4	D73 E74 C157	D73-Q77 WeakPolarHBondContact O-CA 3.45Å; D73-Q77 PolarHBondContact O-N 3.48Å; E74-Q77 PolarHBondContact O-N 2.87Å; Q77-C157 CarbonylContact C-O 3.47Å; Q77-C157 WeakPolarHBondContact CB-O 3.4Å; Q77-C157 PolarHBondContact O-N 3.06Å
78	M	92.3	Very high	93.2	Very high	43 Å²	43	40.7 Å²	40.7	21%	0.212	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.9	-176.2	-63	-168.6	-67.4	0	0	112.2	V72 D73 N76 A125 S155	V72-M78 CarbonylContact C-O 3.56Å; D73-M78 HydrophobicContact CB-CB 4.43Å; D73-M78 PolarHBondContact N-O 2.94Å; D73-M78 PolarHBondContact O-N 3.21Å; N76-M78 HydrophobicContact CB-CE 3.64Å; N76-M78 HydrophobicContact CB-CG 4.33Å; N76-M78 WeakPolarHBondContact O-CG 3.39Å; M78-A125 HydrophobicContact CG-CB 3.98Å; M78-A125 HydrophobicContact SD-CB 3.64Å; M78-S155 WeakPolarHBondContact CA-O 3.34Å
79	M	95	Very high	93.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.5	173.8	178.5	-163	-170.7	0	0	109.3	L69 V72 T81 K154 S155 C157 C171 F233	L69-M79 HydrophobicContact CD1-CE 3.43Å; L69-M79 VanDerWaalsContact CD1-CE 3.43Å; L69-M79 HydrophobicContact CD1-CG 4.03Å; V72-M79 HydrophobicContact CG2-CG 4.32Å; M79-T81 HydrophobicContact CE-CG2 3.53Å; M79-T81 HydrophobicContact CG-CG2 4.08Å; M79-T81 HydrophobicContact SD-CG2 4.08Å; M79-K154 WeakPolarHBondContact O-CA 3.22Å; M79-S155 PolarHBondContact N-O 2.83Å; M79-S155 PolarHBondContact O-N 2.76Å; M79-S155 PolarHBondContact O-OG 2.85Å; M79-C157 HydrophobicContact CB-CB 4.42Å; M79-C171 HydrophobicContact SD-CB 3.42Å; M79-C171 WeakPolarHBondContact SD-CB 3.47Å; M79-F233 HydrophobicContact CE-CB 3.89Å; M79-F233 HydrophobicContact CE-CD1 4.39Å; M79-F233 HydrophobicContact CE-CD2 4.24Å; M79-F233 HydrophobicContact CE-CG 3.93Å
80	T	94.2	Very high	93.4	Very high	19 Å²	19	40.9 Å²	40.9	12%	0.117	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.7	179.1	-55.6	0	0	0	0	110.5	I70 D71 I152 Y153 K154	I70-T80 HydrophobicContact CB-CG2 4.02Å; I70-T80 HydrophobicContact CD1-CG2 4.01Å; I70-T80 HydrophobicContact CG2-CG2 4.28Å; I70-T80 PolarHBondContact N-O 2.84Å; D71-T80 PolarHBondContact N-O 2.89Å; D71-T80 PolarHBondContact O-N 3.25Å; T80-I152 HydrophobicContact CG2-CG2 3.79Å; T80-Y153 WeakPolarHBondContact CA-O 3.29Å; T80-K154 HydrophobicContact CG2-CG 4.21Å
81	T	94.4	Very high	93.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.4	-177.3	52.9	0	0	0	0	111.2	L69 M79 I152 Y153 M173	L69-T81 HydrophobicContact CD1-CG2 3.88Å; M79-T81 HydrophobicContact CE-CG2 3.53Å; M79-T81 HydrophobicContact CG-CG2 4.08Å; M79-T81 HydrophobicContact SD-CG2 4.08Å; T81-I152 CarbonylContact O-C 3.6Å; T81-I152 VanDerWaalsContact O-CA 3.29Å; T81-I152 WeakPolarHBondContact O-CA 3.4Å; T81-Y153 PolarHBondContact N-O 3.12Å; T81-Y153 PolarHBondContact O-N 2.6Å; T81-Y153 PolarHBondContact OG1-O 3.49Å; T81-M173 HydrophobicContact CG2-SD 4.48Å
82	N	93.6	Very high	93.7	Very high	44 Å²	44	37.4 Å²	37.4	24%	0.235	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.1	166.8	-172.7	-3.8	0	0	0	108.6	A67 Q68 I70	A67-N82 HydrophobicContact CB-CB 4.44Å; A67-N82 WeakPolarHBondContact CB-O 3.46Å; A67-N82 PolarHBondContact N-O 3.4Å; Q68-N82 HydrophobicContact CB-CB 4.33Å; Q68-N82 PolarHBondContact N-O 3.47Å; Q68-N82 PolarHBondContact O-N 3.05Å; I70-N82 HydrophobicContact CD1-CB 3.96Å; I70-N82 HydrophobicContact CG1-CB 4.35Å
83	V	94.1	Very high	93.7	Very high	1 Å²	1	41 Å²	41	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.4	-173.2	-57.2	0	0	0	0	111.6	L64 S65 I66 V85 P150 A151 Y153	L64-V83 HydrophobicContact CD2-CG2 4.48Å; S65-V83 CarbonylContact O-C 3.59Å; S65-V83 WeakPolarHBondContact O-CA 3.49Å; I66-V83 HydrophobicContact CG1-CG1 4.39Å; V83-V85 HydrophobicContact CG2-CG2 4.17Å; V83-P150 WeakPolarHBondContact O-CA 3.26Å; V83-A151 PolarHBondContact N-O 3.08Å; V83-A151 PolarHBondContact O-N 2.9Å; V83-Y153 HydrophobicContact CG2-CD2 3.52Å; V83-Y153 HydrophobicContact CG2-CE2 3.76Å
84	W	94.2	Very high	93.9	Very high	101 Å²	101	39.2 Å²	39.2	38%	0.383	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.3	165.4	-60.6	96.9	0	0	0	109	S65 K86 P150	S65-W84 PolarHBondContact N-O 2.94Å; S65-W84 PolarHBondContact O-N 3.42Å; W84-K86 PolarHBondContact O-N 3.41Å; W84-P150 HydrophobicContact CD2-CB 4.28Å; W84-P150 HydrophobicContact CE3-CB 3.79Å; W84-P150 HydrophobicContact CE3-CG 4.33Å; W84-P150 HydrophobicContact CH2-CB 3.98Å; W84-P150 HydrophobicContact CH2-CG 4.2Å; W84-P150 HydrophobicContact CZ2-CB 4.44Å; W84-P150 HydrophobicContact CZ3-CB 3.64Å; W84-P150 HydrophobicContact CZ3-CG 3.78Å
85	V	94	Very high	94.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	110.9	178.6	-173.7	0	0	0	0	108.4	F62 L64 V83 Q87 K148 P149 A151 Y153	F62-V85 HydrophobicContact CD2-CG1 4.38Å; F62-V85 HydrophobicContact CE2-CG1 3.39Å; F62-V85 HydrophobicContact CZ-CG1 3.79Å; L64-V85 HydrophobicContact CD2-CB 4.44Å; L64-V85 HydrophobicContact CD2-CG1 4.33Å; L64-V85 HydrophobicContact CD2-CG2 4.11Å; V83-V85 HydrophobicContact CG2-CG2 4.17Å; V85-Q87 HydrophobicContact CG1-CG 3.99Å; V85-K148 VanDerWaalsContact O-CA 3.31Å; V85-K148 WeakPolarHBondContact O-CA 3.25Å; V85-P149 HydrophobicContact CB-CG 4.39Å; V85-P149 PolarHBondContact N-O 2.81Å; V85-P149 VanDerWaalsContact O-CD 3.3Å; V85-P149 WeakPolarHBondContact O-CD 3.49Å; V85-A151 HydrophobicContact CG2-CB 4.26Å; V85-Y153 HydrophobicContact CG2-CE2 3.79Å
86	K	94.9	Very high	94.7	Very high	41 Å²	41	38.8 Å²	38.8	18%	0.178	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.3	-179.6	-58.4	178.3	-174.9	172.1	0	109.4	F62 G63 W84 K148 M190 D195	F62-K86 WeakPolarHBondContact CA-O 3.45Å; G63-K86 PolarHBondContact N-O 3.44Å; G63-K86 PolarHBondContact O-N 2.88Å; W84-K86 PolarHBondContact O-N 3.41Å; K86-K148 HydrophobicContact CB-CG 4.4Å; K86-K148 HydrophobicContact CG-CD 4.17Å; K86-K148 HydrophobicContact CG-CG 4.16Å; K86-M190 HydrophobicContact CB-CE 3.93Å; K86-M190 HydrophobicContact CB-SD 4Å; K86-M190 WeakPolarHBondContact O-CE 3.42Å; K86-D195 IonicContact NZ-OD2 3.35Å; K86-D195 PolarHBondContact NZ-OD2 2.91Å
87	Q	96.1	Very high	95.1	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.6	178.1	-55.7	-177.3	29.3	0	0	109.6	H61 F62 V85 W89 W147	H61-Q87 WeakPolarHBondContact O-CA 3.46Å; F62-Q87 HydrophobicContact CD2-CG 4.13Å; F62-Q87 HydrophobicContact CE2-CG 4.32Å; V85-Q87 HydrophobicContact CG1-CG 3.99Å; Q87-W89 HydrophobicContact CB-CE3 4.18Å; Q87-W89 HydrophobicContact CB-CZ3 3.86Å; Q87-W147 HydrophobicContact CG-CE3 4.44Å; Q87-W147 PolarHBondContact N-O 2.92Å; Q87-W147 PolarHBondContact O-N 3.44Å
88	E	97.5	Very high	95.3	Very high	28 Å²	28	35 Å²	35	13%	0.131	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.4	173.9	-52.1	-175.8	175	0	0	110.2	H61 I145 K146 M190	H61-E88 HydrophobicContact CB-CB 4.15Å; H61-E88 PolarHBondContact N-O 3.12Å; H61-E88 PolarHBondContact O-N 2.9Å; E88-I145 VanDerWaalsContact CA-O 3.25Å; E88-I145 WeakPolarHBondContact CA-O 3.41Å; E88-K146 HydrophobicContact CB-CG 4.48Å; E88-K146 HydrophobicContact CG-CB 4.19Å; E88-K146 HydrophobicContact CG-CD 4.29Å; E88-K146 HydrophobicContact CG-CG 3.79Å; E88-K146 VanDerWaalsContact OE1-CD 3.26Å; E88-K146 WeakPolarHBondContact OE1-CD 3.47Å; E88-K146 WeakPolarHBondContact OE1-CE 3.47Å; E88-K146 IonicContact OE1-NZ 2.91Å; E88-K146 PolarHBondContact OE1-NZ 3.48Å; E88-K146 WeakPolarHBondContact OE2-CE 3.28Å; E88-K146 IonicContact OE2-NZ 3.62Å; E88-K146 PolarHBondContact OE2-NZ 3.12Å; E88-M190 HydrophobicContact CB-CE 4.16Å; E88-M190 HydrophobicContact CG-CE 3.63Å
89	W	97.4	Very high	95.3	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	174.2	177.3	68.1	94.7	0	0	0	110.3	V58 V60 Q87 I114 W115 R116 P117 I145 W147	V58-W89 HydrophobicContact CG1-CB 4.29Å; V60-W89 HydrophobicContact CG2-CB 4.3Å; Q87-W89 HydrophobicContact CB-CE3 4.18Å; Q87-W89 HydrophobicContact CB-CZ3 3.86Å; W89-I114 HydrophobicContact CZ2-CD1 4.16Å; W89-W115 AromaticContact CD1-CZ3 3.83Å; W89-W115 HydrophobicContact CG-CZ3 4.29Å; W89-W115 WeakPolarHBondContact CZ2-O 3.13Å; W89-W115 AromaticContact NE1-CE3 3.73Å; W89-W115 AromaticContact NE1-CZ3 3.91Å; W89-R116 HydrophobicContact CH2-CG 4.26Å; W89-P117 HydrophobicContact CE3-CG 4.39Å; W89-I145 HydrophobicContact CD2-CB 4.25Å; W89-I145 HydrophobicContact CD2-CG2 4.38Å; W89-I145 HydrophobicContact CH2-CG2 3.8Å; W89-I145 HydrophobicContact CZ2-CB 4.17Å; W89-I145 HydrophobicContact CZ2-CD1 4.32Å; W89-I145 HydrophobicContact CZ2-CG2 3.54Å; W89-I145 HydrophobicContact CZ3-CG2 4.32Å; W89-I145 PolarHBondContact N-O 2.9Å; W89-I145 VanDerWaalsContact N-O 3.12Å; W89-I145 PolarHBondContact O-N 2.89Å; W89-W147 HydrophobicContact CH2-CB 3.8Å; W89-W147 HydrophobicContact CH2-CG 4.42Å; W89-W147 HydrophobicContact CZ3-CB 3.78Å
90	N	97.2	Very high	95.2	Very high	75 Å²	75	46 Å²	46	40%	0.401	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.6	-178.4	-168.3	4.1	0	0	0	110.1	R95 G143	N90-R95 PolarHBondContact ND2-NH2 3.22Å; N90-R95 PolarHBondContact OD1-NH2 3.4Å; N90-G143 WeakPolarHBondContact CA-O 3.36Å; N90-G143 VanDerWaalsContact OD1-C 3.24Å; N90-G143 PolarHBondContact OD1-O 2.74Å
91	D	96.8	Very high	95.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.209	C	C	.	.			trans	-120.9	120.2	173.8	-171.9	-23.9	0	0	0	109.9	Y44 P50 K93 L94 G143 I145	Y44-D91 VanDerWaalsContact CE2-OD2 3.3Å; Y44-D91 WeakPolarHBondContact CE2-OD2 3.46Å; Y44-D91 PolarHBondContact OH-OD2 3.14Å; P50-D91 HydrophobicContact CB-CB 3.89Å; P50-D91 VanDerWaalsContact CB-OD1 3.29Å; P50-D91 WeakPolarHBondContact CB-OD1 3.42Å; P50-D91 WeakPolarHBondContact CB-OD2 3.39Å; P50-D91 HydrophobicContact CG-CB 4.37Å; D91-K93 VanDerWaalsContact C-N 3.3Å; D91-K93 PolarHBondContact O-N 2.81Å; D91-K93 WeakPolarHBondContact OD1-CB 3.33Å; D91-K93 PolarHBondContact OD1-N 2.93Å; D91-L94 HydrophobicContact CB-CB 4.27Å; D91-L94 HydrophobicContact CB-CD1 4.17Å; D91-L94 HydrophobicContact CB-CG 4.35Å; D91-L94 PolarHBondContact O-N 3.04Å; D91-G143 PolarHBondContact N-O 2.94Å; D91-G143 WeakPolarHBondContact O-CA 3.17Å; D91-I145 HydrophobicContact CB-CD1 3.75Å
92	Y	95.3	Very high	95.1	Very high	77 Å²	77	49.7 Å²	49.7	30%	0.302	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-23.8	-177.8	81.7	-83.1	0	0	0	113.7	V51 Q52	V51-Y92 WeakPolarHBondContact O-CE1 3.23Å; Q52-Y92 HydrophobicContact CG-CD1 4.1Å; Q52-Y92 HydrophobicContact CG-CD2 3.54Å; Q52-Y92 HydrophobicContact CG-CE1 4.44Å; Q52-Y92 HydrophobicContact CG-CE2 3.91Å; Q52-Y92 HydrophobicContact CG-CG 3.61Å
93	K	94.8	Very high	95.1	Very high	78 Å²	78	52.6 Å²	52.6	34%	0.339	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-21.9	-179.6	-65.2	-177.3	-178	175.8	0	112.3	Y44 S48 D91 R95	Y44-K93 HydrophobicContact CD2-CB 4.24Å; Y44-K93 HydrophobicContact CD2-CD 4.33Å; Y44-K93 HydrophobicContact CE2-CB 4.21Å; Y44-K93 HydrophobicContact CE2-CD 4.42Å; S48-K93 PolarHBondContact OG-NZ 3.09Å; D91-K93 VanDerWaalsContact C-N 3.3Å; D91-K93 PolarHBondContact O-N 2.81Å; D91-K93 WeakPolarHBondContact OD1-CB 3.33Å; D91-K93 PolarHBondContact OD1-N 2.93Å; K93-R95 VanDerWaalsContact C-N 3.33Å; K93-R95 PolarHBondContact O-N 2.68Å
94	L	95.8	Very high	95.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-98.5	43.9	-175.4	-64.5	176.3	0	0	0	112	L40 F41 Y44 D91 I114 L139 I145	L40-L94 HydrophobicContact CB-CD2 4.39Å; F41-L94 HydrophobicContact CE1-CD2 4.36Å; F41-L94 HydrophobicContact CZ-CD2 4.35Å; Y44-L94 HydrophobicContact CD2-CD2 3.94Å; Y44-L94 HydrophobicContact CD2-CG 4.26Å; Y44-L94 HydrophobicContact CE2-CD1 3.93Å; Y44-L94 HydrophobicContact CE2-CD2 3.96Å; Y44-L94 HydrophobicContact CE2-CG 3.78Å; D91-L94 HydrophobicContact CB-CB 4.27Å; D91-L94 HydrophobicContact CB-CD1 4.17Å; D91-L94 HydrophobicContact CB-CG 4.35Å; D91-L94 PolarHBondContact O-N 3.04Å; L94-I114 HydrophobicContact CD1-CG2 3.9Å; L94-L139 HydrophobicContact CB-CD1 3.85Å; L94-L139 HydrophobicContact CB-CD2 4.01Å; L94-L139 HydrophobicContact CD1-CD1 4.43Å; L94-L139 HydrophobicContact CD1-CD2 4.43Å; L94-I145 HydrophobicContact CD1-CD1 3.95Å
95	R	95.9	Very high	95.1	Very high	113 Å²	113	51 Å²	51	43%	0.426	24%	0.241	S	C	.	.			trans	-112.3	145	178.5	-62.9	-174	175.9	172.4	4.6	110.6	N90 K93 Y141 D142	N90-R95 PolarHBondContact ND2-NH2 3.22Å; N90-R95 PolarHBondContact OD1-NH2 3.4Å; K93-R95 VanDerWaalsContact C-N 3.33Å; K93-R95 PolarHBondContact O-N 2.68Å; R95-Y141 WeakPolarHBondContact CA-O 3.15Å; R95-D142 WeakPolarHBondContact CD-O 3.16Å; R95-D142 PolarHBondContact NE-O 2.91Å
96	W	95.7	Very high	95.2	Very high	22 Å²	22	52.5 Å²	52.5	8%	0.083	25%	0.251	C	S	.	.			trans	-148.1	161.9	174.5	67.4	95.6	0	0	0	111.1	L36 L40 P98 Y101 V104 I107 L139 F140 Y141	L36-W96 HydrophobicContact CD1-CB 3.71Å; L36-W96 HydrophobicContact CD1-CD2 3.97Å; L36-W96 HydrophobicContact CD1-CG 3.59Å; L36-W96 HydrophobicContact CD2-CD2 3.93Å; L36-W96 HydrophobicContact CD2-CG 4.12Å; L36-W96 HydrophobicContact CD2-CZ2 4.11Å; L40-W96 HydrophobicContact CD1-CE3 4.04Å; L40-W96 HydrophobicContact CD1-CZ3 4.31Å; L40-W96 HydrophobicContact CD2-CE3 4.44Å; W96-P98 WeakPolarHBondContact O-CD 3.33Å; W96-Y101 HydrophobicContact CB-CD2 4.47Å; W96-Y101 HydrophobicContact CB-CE2 4.3Å; W96-V104 PolarHBondContact NE1-O 3.37Å; W96-I107 HydrophobicContact CH2-CG1 4.11Å; W96-L139 HydrophobicContact CH2-CD2 4.2Å; W96-L139 HydrophobicContact CH2-CG 3.92Å; W96-L139 HydrophobicContact CZ3-CD1 4.4Å; W96-L139 HydrophobicContact CZ3-CD2 3.7Å; W96-L139 HydrophobicContact CZ3-CG 3.7Å; W96-F140 WeakPolarHBondContact CH2-O 3.3Å; W96-F140 WeakPolarHBondContact CZ3-O 3.42Å; W96-Y141 VanDerWaalsContact CH2-CA 3.49Å; W96-Y141 VanDerWaalsContact CZ2-CA 3.49Å; W96-Y141 PolarHBondContact N-O 2.89Å
97	N	96.3	Very high	95.2	Very high	65 Å²	65	51.1 Å²	51.1	35%	0.348	25%	0.246	S	C	.	.			trans	-88.7	116.3	172.2	-174.9	7.9	0	0	0	109.7	E99 E100 Y101	N97-E99 PolarHBondContact O-N 2.96Å; N97-E99 PolarHBondContact OD1-N 2.84Å; N97-E100 HydrophobicContact CB-CG 4.26Å; N97-E100 PolarHBondContact O-N 2.87Å; N97-Y101 WeakPolarHBondContact O-CD2 3.5Å
98	P	95.2	Very high	95.2	Very high	17 Å²	17	60 Å²	60	11%	0.11	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-58.2	-29.7	-179.7	-25.8	35.7	0	0	0	113.9	W96 E100 Y101 N103 Y141	W96-P98 WeakPolarHBondContact O-CD 3.33Å; P98-E100 PolarHBondContact O-N 3.38Å; P98-Y101 CarbonylContact O-C 3.41Å; P98-Y101 PolarHBondContact O-N 2.78Å; P98-Y101 VanDerWaalsContact O-N 3.14Å; P98-N103 VanDerWaalsContact O-CA 3.3Å; P98-N103 WeakPolarHBondContact O-CA 3.47Å; P98-N103 PolarHBondContact O-N 3.43Å; P98-Y141 HydrophobicContact CG-CD1 4.37Å; P98-Y141 HydrophobicContact CG-CD2 3.67Å; P98-Y141 HydrophobicContact CG-CE2 4.35Å; P98-Y141 HydrophobicContact CG-CG 3.68Å
99	E	93.3	Very high	95.1	Very high	155 Å²	155	58.7 Å²	58.7	72%	0.724	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-63.9	-28.9	-178.1	-62.3	-177.3	169.9	0	0	112.6	N97 Y101	N97-E99 PolarHBondContact O-N 2.96Å; N97-E99 PolarHBondContact OD1-N 2.84Å; E99-Y101 VanDerWaalsContact C-N 3.33Å
100	E	92.9	Very high	95	Very high	121 Å²	121	60.9 Å²	60.9	57%	0.565	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-80.4	-15.8	178.9	-67	171.8	-158.6	0	0	113.2	R35 N97 P98	R35-E100 PolarHBondContact NH2-O 2.79Å; R35-E100 VanDerWaalsContact NH2-O 3.1Å; N97-E100 HydrophobicContact CB-CG 4.26Å; N97-E100 PolarHBondContact O-N 2.87Å; P98-E100 PolarHBondContact O-N 3.38Å
101	Y	93.4	Very high	94.8	Very high	28 Å²	28	57.3 Å²	57.3	11%	0.11	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-127.4	46.7	-173.6	-61.9	-85.2	0	0	0	111.4	R35 L36 N39 W96 N97 P98 E99 N103 V104	R35-Y101 HydrophobicContact CG-CE1 4.45Å; L36-Y101 HydrophobicContact CB-CD1 3.62Å; L36-Y101 HydrophobicContact CB-CE1 3.76Å; L36-Y101 HydrophobicContact CB-CG 4.17Å; L36-Y101 HydrophobicContact CD1-CD1 4.15Å; L36-Y101 HydrophobicContact CD1-CD2 3.93Å; L36-Y101 HydrophobicContact CD1-CE1 3.98Å; L36-Y101 HydrophobicContact CD1-CE2 3.77Å; L36-Y101 HydrophobicContact CD1-CG 4.12Å; L36-Y101 HydrophobicContact CG-CD1 4.39Å; L36-Y101 HydrophobicContact CG-CE1 4.49Å; N39-Y101 PolarHBondContact ND2-OH 2.81Å; W96-Y101 HydrophobicContact CB-CD2 4.47Å; W96-Y101 HydrophobicContact CB-CE2 4.3Å; N97-Y101 WeakPolarHBondContact O-CD2 3.5Å; P98-Y101 CarbonylContact O-C 3.41Å; P98-Y101 PolarHBondContact O-N 2.78Å; P98-Y101 VanDerWaalsContact O-N 3.14Å; E99-Y101 VanDerWaalsContact C-N 3.33Å; Y101-N103 PolarHBondContact O-N 2.92Å; Y101-N103 VanDerWaalsContact O-N 3.13Å; Y101-V104 WeakPolarHBondContact O-CB 3.32Å; Y101-V104 WeakPolarHBondContact O-CG2 3.43Å; Y101-V104 PolarHBondContact O-N 3.47Å
102	E	93.7	Very high	94.6	Very high	67 Å²	67	61.5 Å²	61.5	31%	0.313	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	37.2	171.5	-58.8	174.6	179.1	0	0	113.7	G27 R29 A32 V104	G27-E102 WeakPolarHBondContact CA-OE1 3.39Å; G27-E102 PolarHBondContact N-OE1 3Å; G27-E102 VanDerWaalsContact O-OE2 3.14Å; R29-E102 WeakPolarHBondContact CA-OE2 3.44Å; A32-E102 HydrophobicContact CB-CB 4.15Å; A32-E102 HydrophobicContact CB-CG 3.96Å; A32-E102 WeakPolarHBondContact CB-OE2 3.37Å; E102-V104 VanDerWaalsContact C-N 3.32Å; E102-V104 PolarHBondContact O-N 2.98Å
103	N	93.1	Very high	94.5	Very high	105 Å²	105	61 Å²	61	56%	0.561	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	38.5	-178.3	-63.7	-39.4	0	0	0	114	R29 P98 Y101 T105	R29-N103 PolarHBondContact NH1-O 2.66Å; P98-N103 VanDerWaalsContact O-CA 3.3Å; P98-N103 WeakPolarHBondContact O-CA 3.47Å; P98-N103 PolarHBondContact O-N 3.43Å; Y101-N103 PolarHBondContact O-N 2.92Å; Y101-N103 VanDerWaalsContact O-N 3.13Å; N103-T105 PolarHBondContact O-N 3.04Å
104	V	93.3	Very high	94.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.276	C	S	.	.			trans	-75.1	109.4	166	174.7	0	0	0	0	108.9	R29 E33 L36 W96 Y101 E102 I107	R29-V104 HydrophobicContact CG-CG2 4.01Å; E33-V104 HydrophobicContact CG-CB 4.44Å; E33-V104 HydrophobicContact CG-CG1 3.93Å; E33-V104 HydrophobicContact CG-CG2 3.62Å; L36-V104 HydrophobicContact CD2-CG1 4.1Å; W96-V104 PolarHBondContact NE1-O 3.37Å; Y101-V104 WeakPolarHBondContact O-CB 3.32Å; Y101-V104 WeakPolarHBondContact O-CG2 3.43Å; Y101-V104 PolarHBondContact O-N 3.47Å; E102-V104 VanDerWaalsContact C-N 3.32Å; E102-V104 PolarHBondContact O-N 2.98Å; V104-I107 HydrophobicContact CG1-CG2 3.59Å
105	T	94.7	Very high	94.6	Very high	69 Å²	69	58 Å²	58	42%	0.423	28%	0.277	S	S	.	.			trans	-96.3	-21.4	-178.7	53.2	0	0	0	0	113.7	N103 Y141	N103-T105 PolarHBondContact O-N 3.04Å; T105-Y141 WeakPolarHBondContact O-CD1 3.27Å; T105-Y141 PolarHBondContact O-N 2.84Å
106	S	96	Very high	94.5	Very high	32 Å²	32	56.5 Å²	56.5	22%	0.224	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	148.4	179.6	73.8	0	0	0	0	111.5	H138 L139	S106-H138 WeakPolarHBondContact CB-NE2 3.42Å; S106-H138 PolarHBondContact OG-NE2 2.95Å; S106-L139 CarbonylContact C-O 3.52Å; S106-L139 WeakPolarHBondContact CA-O 3.38Å; S106-L139 WeakPolarHBondContact CB-O 3.15Å
107	I	95.4	Very high	94.5	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.062	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	157.3	179.8	61.4	174.4	0	0	0	110.6	E33 L36 L40 W96 V104 I109 L139	E33-I107 HydrophobicContact CG-CG2 4.44Å; L36-I107 HydrophobicContact CD2-CD1 4.38Å; L36-I107 HydrophobicContact CD2-CG2 4.19Å; L40-I107 HydrophobicContact CD1-CD1 4.06Å; W96-I107 HydrophobicContact CH2-CG1 4.11Å; V104-I107 HydrophobicContact CG1-CG2 3.59Å; I107-I109 HydrophobicContact CD1-CG2 3.97Å; I107-I109 HydrophobicContact CG1-CG2 4.18Å; I107-L139 HydrophobicContact CD1-CD2 4.09Å; I107-L139 HydrophobicContact CG1-CB 4.13Å; I107-L139 HydrophobicContact CG1-CD2 4.09Å; I107-L139 HydrophobicContact CG1-CG 4.4Å; I107-L139 PolarHBondContact N-O 3.25Å; I107-L139 PolarHBondContact O-N 3.13Å
108	R	95.4	Very high	94.3	Very high	192 Å²	192	54.5 Å²	54.5	73%	0.725	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.8	176	-68.6	-175.7	-177.5	128.2	-2.6	110.3	K136 A137	R108-K136 HydrophobicContact CB-CD 4.48Å; R108-A137 WeakPolarHBondContact CA-O 3.3Å
109	I	95	Very high	94.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145.9	-175	54.9	-179.6	0	0	0	110.6	L37 F41 I107 I114 K136 A137 L139	L37-I109 HydrophobicContact CD1-CG2 4.01Å; F41-I109 HydrophobicContact CE2-CG2 4.23Å; F41-I109 HydrophobicContact CZ-CD1 4.04Å; F41-I109 HydrophobicContact CZ-CG2 4.46Å; I107-I109 HydrophobicContact CD1-CG2 3.97Å; I107-I109 HydrophobicContact CG1-CG2 4.18Å; I109-I114 HydrophobicContact CD1-CD1 4.22Å; I109-I114 HydrophobicContact CD1-CG2 3.46Å; I109-I114 VanDerWaalsContact CD1-CG2 3.46Å; I109-I114 HydrophobicContact CG1-CG2 4.46Å; I109-K136 CarbonylContact O-C 3.34Å; I109-K136 VanDerWaalsContact O-CA 3.3Å; I109-K136 WeakPolarHBondContact O-CA 3.48Å; I109-K136 WeakPolarHBondContact O-CB 3.36Å; I109-A137 HydrophobicContact CG1-CB 4.41Å; I109-A137 PolarHBondContact N-O 3.47Å; I109-A137 PolarHBondContact O-N 2.98Å; I109-L139 HydrophobicContact CD1-CB 3.92Å; I109-L139 HydrophobicContact CD1-CD2 3.85Å; I109-L139 HydrophobicContact CD1-CG 4.45Å; I109-L139 HydrophobicContact CG1-CB 4.36Å
110	P	95	Very high	94.2	Very high	50 Å²	50	48.1 Å²	48.1	33%	0.325	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	142.1	170.5	-20.8	32.5	0	0	0	110.9	E112 I113	P110-E112 WeakPolarHBondContact CB-OE2 3.3Å; P110-E112 PolarHBondContact O-N 2.82Å; P110-I113 HydrophobicContact CB-CG1 4.47Å; P110-I113 WeakPolarHBondContact O-CG1 3.37Å
111	S	94	Very high	94.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-9	-176.5	62.1	0	0	0	0	113.2	R116 T135 W147	S111-R116 PolarHBondContact O-NH1 3.17Å; S111-R116 PolarHBondContact OG-NH1 2.92Å; S111-T135 VanDerWaalsContact CB-O 3.3Å; S111-T135 WeakPolarHBondContact CB-O 3.34Å; S111-T135 PolarHBondContact OG-O 2.86Å; S111-W147 PolarHBondContact OG-NE1 2.91Å
112	E	92.5	Very high	94.2	Very high	88 Å²	88	43.5 Å²	43.5	41%	0.411	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-20.1	-179.6	-56.6	86.5	175.6	0	0	114.1	P110 L134	P110-E112 WeakPolarHBondContact CB-OE2 3.3Å; P110-E112 PolarHBondContact O-N 2.82Å; E112-L134 HydrophobicContact CG-CD1 3.76Å; E112-L134 WeakPolarHBondContact OE1-CB 3.29Å
113	I	93.7	Very high	94.2	Very high	67 Å²	67	41.3 Å²	41.3	34%	0.344	20%	0.202	S	C	.	.	S	Bend	trans	-97.5	-7.4	-175.6	64.1	166.8	0	0	0	113.3	F41 P110	F41-I113 HydrophobicContact CD1-CD1 4.39Å; F41-I113 HydrophobicContact CD2-CD1 4.38Å; F41-I113 HydrophobicContact CE1-CD1 3.93Å; F41-I113 HydrophobicContact CE1-CG1 4.11Å; F41-I113 HydrophobicContact CE2-CD1 3.92Å; F41-I113 HydrophobicContact CZ-CD1 3.69Å; F41-I113 HydrophobicContact CZ-CG1 4.15Å; P110-I113 HydrophobicContact CB-CG1 4.47Å; P110-I113 WeakPolarHBondContact O-CG1 3.37Å
114	I	95.8	Very high	94.1	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	18%	0.181	C	C	.	.	S	Bend	trans	-107.3	160.5	176.5	56	174.5	0	0	0	111.6	F41 Y44 W89 L94 I109 A137 I145	F41-I114 HydrophobicContact CE1-CG2 3.85Å; F41-I114 HydrophobicContact CZ-CG2 3.88Å; Y44-I114 HydrophobicContact CE1-CB 4.49Å; W89-I114 HydrophobicContact CZ2-CD1 4.16Å; L94-I114 HydrophobicContact CD1-CG2 3.9Å; I109-I114 HydrophobicContact CD1-CD1 4.22Å; I109-I114 HydrophobicContact CD1-CG2 3.46Å; I109-I114 VanDerWaalsContact CD1-CG2 3.46Å; I109-I114 HydrophobicContact CG1-CG2 4.46Å; I114-A137 HydrophobicContact CD1-CB 3.81Å; I114-I145 HydrophobicContact CD1-CG2 4.09Å
115	W	96.4	Very high	93.7	Very high	7 Å²	7	39.7 Å²	39.7	3%	0.027	20%	0.199	C	C	.	.			trans	-64.7	140.5	165.8	178.9	90	0	0	0	109.9	Y44 K46 R49 P50 V58 W89 P117 I185	Y44-W115 WeakPolarHBondContact OH-CB 3.34Å; Y44-W115 PolarHBondContact OH-N 2.8Å; K46-W115 WeakPolarHBondContact O-CA 3.04Å; K46-W115 WeakPolarHBondContact O-CB 3.08Å; R49-W115 HydrophobicContact CG-CZ2 4.17Å; P50-W115 VanDerWaalsContact CD-CE3 3.46Å; P50-W115 HydrophobicContact CG-CD2 3.91Å; P50-W115 HydrophobicContact CG-CE3 3.54Å; P50-W115 HydrophobicContact CG-CG 4.41Å; P50-W115 HydrophobicContact CG-CZ3 3.93Å; V58-W115 HydrophobicContact CG1-CH2 4.17Å; V58-W115 HydrophobicContact CG1-CZ3 4.22Å; W89-W115 AromaticContact CD1-CZ3 3.83Å; W89-W115 HydrophobicContact CG-CZ3 4.29Å; W89-W115 WeakPolarHBondContact CZ2-O 3.13Å; W89-W115 AromaticContact NE1-CE3 3.73Å; W89-W115 AromaticContact NE1-CZ3 3.91Å; W115-P117 HydrophobicContact CH2-CB 3.96Å; W115-P117 HydrophobicContact CZ3-CB 4.38Å; W115-P117 HydrophobicContact CZ3-CG 4.48Å; W115-I185 HydrophobicContact CH2-CD1 4.06Å; W115-I185 HydrophobicContact CZ2-CD1 4.03Å
116	R	94.3	Very high	92.8	Very high	83 Å²	83	40.5 Å²	40.5	31%	0.313	20%	0.201	S	C	.	.			trans	-141.5	134.7	-178.4	-171.4	169.4	75.8	-151.1	1.2	110.1	W89 S111 W147	W89-R116 HydrophobicContact CH2-CG 4.26Å; S111-R116 PolarHBondContact O-NH1 3.17Å; S111-R116 PolarHBondContact OG-NH1 2.92Å; R116-W147 VanDerWaalsContact CD-CH2 3.44Å; R116-W147 HydrophobicContact CG-CE3 4.15Å; R116-W147 HydrophobicContact CG-CH2 4.48Å; R116-W147 HydrophobicContact CG-CZ3 4Å
117	P	94.9	Very high	91.5	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.039	22%	0.218	C	C	.	.			trans	-66.6	148.1	176.3	28.9	-34.9	0	0	0	111.2	V60 W89 W115 I119 I185	V60-P117 HydrophobicContact CG1-CG 4.25Å; V60-P117 HydrophobicContact CG2-CB 4.26Å; V60-P117 HydrophobicContact CG2-CG 4.24Å; W89-P117 HydrophobicContact CE3-CG 4.39Å; W115-P117 HydrophobicContact CH2-CB 3.96Å; W115-P117 HydrophobicContact CZ3-CB 4.38Å; W115-P117 HydrophobicContact CZ3-CG 4.48Å; P117-I119 VanDerWaalsContact C-N 3.31Å; P117-I119 HydrophobicContact CB-CD1 4.19Å; P117-I119 HydrophobicContact CB-CG1 4.18Å; P117-I119 HydrophobicContact CG-CG1 4.28Å; P117-I119 PolarHBondContact O-N 2.89Å; P117-I185 HydrophobicContact CB-CD1 4.23Å
118	D	92.3	Very high	90.4	Very high	39 Å²	39	45.4 Å²	45.4	21%	0.209	24%	0.238	C	C	.	.			trans	-89	60.6	-178.6	63.5	-22.7	0	0	0	111.4	V120 S177 W178 T179 Y180	D118-V120 PolarHBondContact O-N 3.49Å; D118-S177 WeakPolarHBondContact O-CA 3.46Å; D118-S177 PolarHBondContact OD1-OG 2.82Å; D118-W178 PolarHBondContact O-N 2.61Å; D118-W178 PolarHBondContact OD2-N 2.96Å; D118-T179 WeakPolarHBondContact OD2-CB 3.3Å; D118-T179 PolarHBondContact OD2-N 2.87Å; D118-T179 PolarHBondContact OD2-OG1 2.87Å; D118-Y180 WeakPolarHBondContact OD1-CD2 3.12Å
119	I	93.1	Very high	89.1	Confident	15 Å²	15	40.9 Å²	40.9	8%	0.077	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.8	178.4	-50.9	-54.7	0	0	0	110.1	F62 P117 F175 G176 L187	F62-I119 HydrophobicContact CD2-CG2 4.27Å; F62-I119 HydrophobicContact CE2-CG2 3.69Å; F62-I119 HydrophobicContact CZ-CG2 4.21Å; P117-I119 VanDerWaalsContact C-N 3.31Å; P117-I119 HydrophobicContact CB-CD1 4.19Å; P117-I119 HydrophobicContact CB-CG1 4.18Å; P117-I119 HydrophobicContact CG-CG1 4.28Å; P117-I119 PolarHBondContact O-N 2.89Å; I119-F175 HydrophobicContact CG2-CB 4.26Å; I119-F175 HydrophobicContact CG2-CD1 4.32Å; I119-G176 WeakPolarHBondContact CA-O 3.3Å; I119-L187 HydrophobicContact CD1-CD2 3.72Å
120	V	92.9	Very high	87.6	Confident	22 Å²	22	43.9 Å²	43.9	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.6	-175	179	0	0	0	0	110.5	D118 F129 F175 G176 W178	D118-V120 PolarHBondContact O-N 3.49Å; V120-F129 HydrophobicContact CG1-CB 3.95Å; V120-F129 HydrophobicContact CG1-CD1 4.04Å; V120-F129 HydrophobicContact CG1-CG 4.45Å; V120-F175 WeakPolarHBondContact O-CA 3.34Å; V120-G176 PolarHBondContact N-O 2.9Å; V120-G176 PolarHBondContact O-N 3.25Å; V120-G176 VanDerWaalsContact O-N 3.08Å; V120-W178 HydrophobicContact CG2-CB 4.19Å
121	L	93.8	Very high	86.2	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	112.5	168.6	-179.8	70.2	0	0	0	109.8	N123 N124 Y153 M173 K174 F175	L121-N123 VanDerWaalsContact CD1-OD1 3.26Å; L121-N123 WeakPolarHBondContact CD1-OD1 3.45Å; L121-N124 HydrophobicContact CD2-CB 4.19Å; L121-N124 HydrophobicContact CG-CB 4.37Å; L121-Y153 HydrophobicContact CB-CD1 4.22Å; L121-Y153 HydrophobicContact CB-CE1 4.21Å; L121-Y153 HydrophobicContact CD2-CD1 3.79Å; L121-Y153 HydrophobicContact CD2-CG 4.03Å; L121-M173 HydrophobicContact CD1-CB 3.9Å; L121-M173 HydrophobicContact CD1-CE 4.31Å; L121-M173 HydrophobicContact CD2-CE 4.31Å; L121-K174 CarbonylContact C-O 3.59Å; L121-K174 WeakPolarHBondContact CA-O 3.3Å; L121-F175 HydrophobicContact CB-CD1 4.38Å; L121-F175 HydrophobicContact CB-CE1 4.08Å; L121-F175 HydrophobicContact CD1-CD1 4.44Å; L121-F175 HydrophobicContact CD1-CD2 4.43Å; L121-F175 HydrophobicContact CD1-CE1 4.14Å; L121-F175 HydrophobicContact CD1-CE2 4.11Å; L121-F175 HydrophobicContact CD1-CZ 3.98Å
122	Y	93	Very high	84.9	Confident	51 Å²	51	46.8 Å²	46.8	20%	0.2	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-31.7	-176.5	-65.3	-18.1	0	0	0	113.8	N124 K174 S177 W178 Y219 D228	Y122-N124 VanDerWaalsContact C-N 3.31Å; Y122-N124 PolarHBondContact O-N 3.21Å; Y122-K174 HydrophobicContact CD2-CD 3.73Å; Y122-K174 HydrophobicContact CD2-CG 3.86Å; Y122-K174 PolarHBondContact N-O 3.46Å; Y122-S177 PolarHBondContact OH-O 2.62Å; Y122-W178 AromaticContact CD1-CE3 3.95Å; Y122-W178 HydrophobicContact CD1-CE3 3.95Å; Y122-W178 AromaticContact CD1-CZ3 3.99Å; Y122-W178 HydrophobicContact CD1-CZ3 3.99Å; Y122-W178 AromaticContact CE1-CE3 3.78Å; Y122-W178 HydrophobicContact CE1-CE3 3.78Å; Y122-W178 HydrophobicContact CE1-CZ3 4.21Å; Y122-Y219 WeakPolarHBondContact CE2-OH 3.21Å; Y122-D228 HydrophobicContact CE2-CB 4.32Å
123	N	93.3	Very high	84	Confident	22 Å²	22	47.7 Å²	47.7	12%	0.118	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	33.4	-178.6	69.7	-55.9	0	0	0	112.7	L121 S156 K172 K174	L121-N123 VanDerWaalsContact CD1-OD1 3.26Å; L121-N123 WeakPolarHBondContact CD1-OD1 3.45Å; N123-S156 PolarHBondContact ND2-O 2.87Å; N123-S156 PolarHBondContact O-N 3.17Å; N123-S156 PolarHBondContact O-OG 3.26Å; N123-K172 PolarHBondContact ND2-O 3.16Å; N123-K174 PolarHBondContact OD1-N 3.48Å
124	N	91.3	Very high	83.5	Confident	24 Å²	24	47.8 Å²	47.8	13%	0.128	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-67.2	141.3	176.5	-174.6	28.7	0	0	0	112.1	L121 Y122 D126 D128 F129 K154	L121-N124 HydrophobicContact CD2-CB 4.19Å; L121-N124 HydrophobicContact CG-CB 4.37Å; Y122-N124 VanDerWaalsContact C-N 3.31Å; Y122-N124 PolarHBondContact O-N 3.21Å; N124-D126 PolarHBondContact OD1-N 3.36Å; N124-D128 VanDerWaalsContact ND2-C 3.29Å; N124-D128 PolarHBondContact ND2-O 3.2Å; N124-F129 HydrophobicContact CB-CD1 3.84Å; N124-F129 HydrophobicContact CB-CE1 3.75Å; N124-K154 WeakPolarHBondContact CA-O 2.97Å; N124-K154 PolarHBondContact OD1-O 3.2Å; N124-K154 VanDerWaalsContact OD1-O 3.04Å
125	A	85.7	Confident	83.4	Confident	46 Å²	46	49.6 Å²	49.6	38%	0.38	28%	0.282	S	S	.	.			trans	-115.5	-10	-179.7	0	0	0	0	0	114.1	M78 K154	M78-A125 HydrophobicContact CG-CB 3.98Å; M78-A125 HydrophobicContact SD-CB 3.64Å; A125-K154 PolarHBondContact N-O 3Å
126	D	75.3	Confident	83.3	Confident	86 Å²	86	56 Å²	56	46%	0.46	31%	0.31	S	S	.	.	S	Bend	trans	-91.1	-5.9	-173.6	-147.6	20.7	0	0	0	115	N124 D128 K154	N124-D126 PolarHBondContact OD1-N 3.36Å; D126-D128 VanDerWaalsContact C-N 3.27Å; D126-D128 PolarHBondContact O-N 2.61Å; D126-K154 HydrophobicContact CB-CB 4.02Å; D126-K154 HydrophobicContact CB-CD 3.86Å; D126-K154 HydrophobicContact CB-CG 4.05Å; D126-K154 VanDerWaalsContact CG-CE 3.44Å; D126-K154 WeakPolarHBondContact OD1-CD 3.1Å; D126-K154 WeakPolarHBondContact OD1-CE 3.27Å; D126-K154 IonicContact OD1-NZ 2.61Å; D126-K154 PolarHBondContact OD1-NZ 3.45Å; D126-K154 WeakPolarHBondContact OD2-CD 3.38Å; D126-K154 WeakPolarHBondContact OD2-CE 3.4Å; D126-K154 IonicContact OD2-NZ 2.89Å; D126-K154 PolarHBondContact OD2-NZ 3.38Å
127	G	68.4	Low	83.4	Confident	57 Å²	57	52 Å²	52	59%	0.588	30%	0.295	S	S	*	.	S	Bend	trans	81.6	-20.6	-179.5	0	0	0	0	0	116	F129	G127-F129 WeakPolarHBondContact O-CD2 3.47Å
128	D	73.1	Confident	83.5	Confident	90 Å²	90	54.4 Å²	54.4	48%	0.481	31%	0.305	S	S	.	.			trans	-95.6	114.7	169.2	-168	-3.2	0	0	0	111	N124 D126 A130 T132	N124-D128 VanDerWaalsContact ND2-C 3.29Å; N124-D128 PolarHBondContact ND2-O 3.2Å; D126-D128 VanDerWaalsContact C-N 3.27Å; D126-D128 PolarHBondContact O-N 2.61Å; D128-A130 PolarHBondContact OD1-N 3.04Å; D128-A130 VanDerWaalsContact OD1-N 3.12Å; D128-T132 WeakPolarHBondContact OD2-CG2 3.4Å
129	F	68.4	Low	83.8	Confident	98 Å²	98	52.5 Å²	52.5	43%	0.43	30%	0.295	S	S	.	.			trans	-92.2	-8	-174.8	-66.3	-88.5	0	0	0	113.3	V120 N124 G127	V120-F129 HydrophobicContact CG1-CB 3.95Å; V120-F129 HydrophobicContact CG1-CD1 4.04Å; V120-F129 HydrophobicContact CG1-CG 4.45Å; N124-F129 HydrophobicContact CB-CD1 3.84Å; N124-F129 HydrophobicContact CB-CE1 3.75Å; G127-F129 WeakPolarHBondContact O-CD2 3.47Å
130	A	63.6	Low	84	Confident	63 Å²	63	54.3 Å²	54.3	52%	0.521	30%	0.303	S	S	.	.	S	Bend	trans	-100.7	152.5	-174	0	0	0	0	0	113	D128 T132	D128-A130 PolarHBondContact OD1-N 3.04Å; D128-A130 VanDerWaalsContact OD1-N 3.12Å; A130-T132 PolarHBondContact O-N 3.03Å; A130-T132 VanDerWaalsContact O-N 3.16Å
131	V	65.7	Low	84.2	Confident	22 Å²	22	58.5 Å²	58.5	13%	0.133	32%	0.317	C	S	.	.			trans	-68.9	109.3	169.7	178.6	0	0	0	0	108.5	W147 P149 A151 Y153	V131-W147 HydrophobicContact CB-CH2 4.49Å; V131-P149 HydrophobicContact CG1-CB 3.73Å; V131-P149 HydrophobicContact CG1-CG 3.96Å; V131-A151 HydrophobicContact CG1-CB 4.33Å; V131-A151 HydrophobicContact CG2-CB 4.48Å; V131-Y153 WeakPolarHBondContact CG2-OH 3.33Å
132	T	65.9	Low	84.3	Confident	89 Å²	89	61.7 Å²	61.7	55%	0.546	33%	0.334	S	S	.	.	S	Bend	trans	-70.7	-30.3	-175.2	53.6	0	0	0	0	113.2	D128 A130	D128-T132 WeakPolarHBondContact OD2-CG2 3.4Å; A130-T132 PolarHBondContact O-N 3.03Å; A130-T132 VanDerWaalsContact O-N 3.16Å
133	H	74	Confident	84.4	Confident	107 Å²	107	59.3 Å²	59.3	50%	0.495	32%	0.324	S	S	.	.			trans	-97.4	98	-179.7	-64.9	-65.9	0	0	0	111.9	T135 P149 P150	H133-T135 PolarHBondContact O-N 3.5Å; H133-P149 WeakPolarHBondContact O-CB 3.17Å; H133-P150 HydrophobicContact CB-CG 4.21Å
134	L	83.4	Confident	84.6	Confident	69 Å²	69	61.4 Å²	61.4	36%	0.361	33%	0.334	S	S	.	.			trans	-82.3	97.3	176.8	-58.1	-178.7	0	0	0	110.3	E112 W147	E112-L134 HydrophobicContact CG-CD1 3.76Å; E112-L134 WeakPolarHBondContact OE1-CB 3.29Å; L134-W147 HydrophobicContact CD2-CZ2 4.11Å
135	T	92.3	Very high	84.9	Confident	44 Å²	44	60.2 Å²	60.2	27%	0.27	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-81.5	164.7	173.1	62.1	0	0	0	0	111.3	S111 H133 W147 P149 P150	S111-T135 VanDerWaalsContact CB-O 3.3Å; S111-T135 WeakPolarHBondContact CB-O 3.34Å; S111-T135 PolarHBondContact OG-O 2.86Å; H133-T135 PolarHBondContact O-N 3.5Å; T135-W147 PolarHBondContact O-NE1 3.13Å; T135-W147 VanDerWaalsContact O-NE1 3.12Å; T135-W147 PolarHBondContact OG1-NE1 2.9Å; T135-P149 HydrophobicContact CG2-CB 4.49Å; T135-P150 HydrophobicContact CG2-CG 4.48Å
136	K	95.1	Very high	85.5	Confident	141 Å²	141	60.7 Å²	60.7	61%	0.613	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	145.1	168.6	-63.7	-174.4	179.9	-175.7	0	110.5	R108 I109	R108-K136 HydrophobicContact CB-CD 4.48Å; I109-K136 CarbonylContact O-C 3.34Å; I109-K136 VanDerWaalsContact O-CA 3.3Å; I109-K136 WeakPolarHBondContact O-CA 3.48Å; I109-K136 WeakPolarHBondContact O-CB 3.36Å
137	A	96.6	Very high	86.5	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.008	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	149.4	169.8	0	0	0	0	0	110.4	R108 I109 I114 I145 W147	R108-A137 WeakPolarHBondContact CA-O 3.3Å; I109-A137 HydrophobicContact CG1-CB 4.41Å; I109-A137 PolarHBondContact N-O 3.47Å; I109-A137 PolarHBondContact O-N 2.98Å; I114-A137 HydrophobicContact CD1-CB 3.81Å; A137-I145 HydrophobicContact CB-CG2 4.05Å; A137-W147 HydrophobicContact CB-CB 4.29Å; A137-W147 HydrophobicContact CB-CG 4.4Å
138	H	97.3	Very high	87.7	Confident	55 Å²	55	58.7 Å²	58.7	26%	0.255	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.2	174.6	-170.3	-168.2	0	0	0	108.5	S106 F140 K146	S106-H138 WeakPolarHBondContact CB-NE2 3.42Å; S106-H138 PolarHBondContact OG-NE2 2.95Å; H138-F140 AromaticContact CE1-CE1 3.76Å; H138-F140 AromaticContact CE1-CE2 3.88Å; H138-F140 AromaticContact CE1-CZ 3.28Å; H138-F140 WeakPolarHBondContact CE1-CZ 3.45Å; H138-F140 AromaticContact CG-CE2 3.97Å; H138-F140 AromaticContact ND1-CE2 3.69Å; H138-F140 AromaticContact ND1-CZ 3.47Å; H138-F140 WeakPolarHBondContact ND1-CZ 3.42Å; H138-F140 AromaticContact NE2-CZ 3.91Å; H138-K146 HydrophobicContact CB-CB 4.46Å; H138-K146 PolarHBondContact N-O 3.41Å; H138-K146 PolarHBondContact O-N 3.4Å
139	L	97.4	Very high	88.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.3	-179.6	173.2	66.7	0	0	0	109.4	L40 L94 W96 S106 I107 I109 I145	L40-L139 HydrophobicContact CD1-CD2 4.44Å; L94-L139 HydrophobicContact CB-CD1 3.85Å; L94-L139 HydrophobicContact CB-CD2 4.01Å; L94-L139 HydrophobicContact CD1-CD1 4.43Å; L94-L139 HydrophobicContact CD1-CD2 4.43Å; W96-L139 HydrophobicContact CH2-CD2 4.2Å; W96-L139 HydrophobicContact CH2-CG 3.92Å; W96-L139 HydrophobicContact CZ3-CD1 4.4Å; W96-L139 HydrophobicContact CZ3-CD2 3.7Å; W96-L139 HydrophobicContact CZ3-CG 3.7Å; S106-L139 CarbonylContact C-O 3.52Å; S106-L139 WeakPolarHBondContact CA-O 3.38Å; S106-L139 WeakPolarHBondContact CB-O 3.15Å; I107-L139 HydrophobicContact CD1-CD2 4.09Å; I107-L139 HydrophobicContact CG1-CB 4.13Å; I107-L139 HydrophobicContact CG1-CD2 4.09Å; I107-L139 HydrophobicContact CG1-CG 4.4Å; I107-L139 PolarHBondContact N-O 3.25Å; I107-L139 PolarHBondContact O-N 3.13Å; I109-L139 HydrophobicContact CD1-CB 3.92Å; I109-L139 HydrophobicContact CD1-CD2 3.85Å; I109-L139 HydrophobicContact CD1-CG 4.45Å; I109-L139 HydrophobicContact CG1-CB 4.36Å; L139-I145 HydrophobicContact CD1-CD1 4.2Å; L139-I145 HydrophobicContact CD1-CG1 3.45Å; L139-I145 VanDerWaalsContact CD1-CG1 3.45Å
140	F	97.8	Very high	89.9	Confident	52 Å²	52	51 Å²	51	23%	0.228	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	154.7	175.8	-67.4	-91.1	0	0	0	111.1	W96 H138 D142 G143 Q144 K146	W96-F140 WeakPolarHBondContact CH2-O 3.3Å; W96-F140 WeakPolarHBondContact CZ3-O 3.42Å; H138-F140 AromaticContact CE1-CE1 3.76Å; H138-F140 AromaticContact CE1-CE2 3.88Å; H138-F140 AromaticContact CE1-CZ 3.28Å; H138-F140 WeakPolarHBondContact CE1-CZ 3.45Å; H138-F140 AromaticContact CG-CE2 3.97Å; H138-F140 AromaticContact ND1-CE2 3.69Å; H138-F140 AromaticContact ND1-CZ 3.47Å; H138-F140 WeakPolarHBondContact ND1-CZ 3.42Å; H138-F140 AromaticContact NE2-CZ 3.91Å; F140-D142 WeakPolarHBondContact CB-OD1 3.38Å; F140-D142 PolarHBondContact O-N 2.92Å; F140-D142 VanDerWaalsContact O-N 3.15Å; F140-G143 PolarHBondContact O-N 3.05Å; F140-Q144 HydrophobicContact CB-CB 4.31Å; F140-Q144 HydrophobicContact CD2-CB 4.46Å; F140-Q144 WeakPolarHBondContact CD2-O 3.24Å; F140-Q144 PolarHBondContact N-O 3.5Å; F140-K146 HydrophobicContact CD2-CG 4.38Å; F140-K146 HydrophobicContact CE2-CD 3.67Å; F140-K146 HydrophobicContact CE2-CG 3.8Å; F140-K146 HydrophobicContact CZ-CD 4.28Å
141	Y	96.4	Very high	91.2	Very high	111 Å²	111	48.2 Å²	48.2	44%	0.435	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.5	-175.3	74	-82.1	0	0	0	114.8	R95 W96 P98 T105 G143	R95-Y141 WeakPolarHBondContact CA-O 3.15Å; W96-Y141 VanDerWaalsContact CH2-CA 3.49Å; W96-Y141 VanDerWaalsContact CZ2-CA 3.49Å; W96-Y141 PolarHBondContact N-O 2.89Å; P98-Y141 HydrophobicContact CG-CD1 4.37Å; P98-Y141 HydrophobicContact CG-CD2 3.67Å; P98-Y141 HydrophobicContact CG-CE2 4.35Å; P98-Y141 HydrophobicContact CG-CG 3.68Å; T105-Y141 WeakPolarHBondContact O-CD1 3.27Å; T105-Y141 PolarHBondContact O-N 2.84Å; Y141-G143 PolarHBondContact O-N 3.44Å
142	D	96.4	Very high	92.4	Very high	68 Å²	68	51.6 Å²	51.6	36%	0.364	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-1	177.3	66.9	-16.2	0	0	0	113.4	R95 F140 Q144	R95-D142 WeakPolarHBondContact CD-O 3.16Å; R95-D142 PolarHBondContact NE-O 2.91Å; F140-D142 WeakPolarHBondContact CB-OD1 3.38Å; F140-D142 PolarHBondContact O-N 2.92Å; F140-D142 VanDerWaalsContact O-N 3.15Å; D142-Q144 VanDerWaalsContact OD1-CB 3.3Å; D142-Q144 WeakPolarHBondContact OD1-CB 3.32Å; D142-Q144 PolarHBondContact OD1-N 2.72Å
143	G	95.6	Very high	93.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	89.2	1	-178.3	0	0	0	0	0	113.8	N90 D91 F140 Y141 I145	N90-G143 WeakPolarHBondContact CA-O 3.36Å; N90-G143 VanDerWaalsContact OD1-C 3.24Å; N90-G143 PolarHBondContact OD1-O 2.74Å; D91-G143 PolarHBondContact N-O 2.94Å; D91-G143 WeakPolarHBondContact O-CA 3.17Å; F140-G143 PolarHBondContact O-N 3.05Å; Y141-G143 PolarHBondContact O-N 3.44Å; G143-I145 PolarHBondContact O-N 3.23Å
144	Q	97.6	Very high	94.6	Very high	66 Å²	66	45.8 Å²	45.8	31%	0.308	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131	173.1	-175.3	176	87.8	0	0	110.2	F140 D142	F140-Q144 HydrophobicContact CB-CB 4.31Å; F140-Q144 HydrophobicContact CD2-CB 4.46Å; F140-Q144 WeakPolarHBondContact CD2-O 3.24Å; F140-Q144 PolarHBondContact N-O 3.5Å; D142-Q144 VanDerWaalsContact OD1-CB 3.3Å; D142-Q144 WeakPolarHBondContact OD1-CB 3.32Å; D142-Q144 PolarHBondContact OD1-N 2.72Å
145	I	97.8	Very high	95.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.2	178.5	-63.4	159.5	0	0	0	108.3	E88 W89 D91 L94 I114 A137 L139 G143	E88-I145 VanDerWaalsContact CA-O 3.25Å; E88-I145 WeakPolarHBondContact CA-O 3.41Å; W89-I145 HydrophobicContact CD2-CB 4.25Å; W89-I145 HydrophobicContact CD2-CG2 4.38Å; W89-I145 HydrophobicContact CH2-CG2 3.8Å; W89-I145 HydrophobicContact CZ2-CB 4.17Å; W89-I145 HydrophobicContact CZ2-CD1 4.32Å; W89-I145 HydrophobicContact CZ2-CG2 3.54Å; W89-I145 HydrophobicContact CZ3-CG2 4.32Å; W89-I145 PolarHBondContact N-O 2.9Å; W89-I145 VanDerWaalsContact N-O 3.12Å; W89-I145 PolarHBondContact O-N 2.89Å; D91-I145 HydrophobicContact CB-CD1 3.75Å; L94-I145 HydrophobicContact CD1-CD1 3.95Å; I114-I145 HydrophobicContact CD1-CG2 4.09Å; A137-I145 HydrophobicContact CB-CG2 4.05Å; L139-I145 HydrophobicContact CD1-CD1 4.2Å; L139-I145 HydrophobicContact CD1-CG1 3.45Å; L139-I145 VanDerWaalsContact CD1-CG1 3.45Å; G143-I145 PolarHBondContact O-N 3.23Å
146	K	97.1	Very high	95.2	Very high	56 Å²	56	43 Å²	43	24%	0.243	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123	172.9	-55.6	-168.4	176.3	-129.4	0	109.9	E88 H138 F140	E88-K146 HydrophobicContact CB-CG 4.48Å; E88-K146 HydrophobicContact CG-CB 4.19Å; E88-K146 HydrophobicContact CG-CD 4.29Å; E88-K146 HydrophobicContact CG-CG 3.79Å; E88-K146 VanDerWaalsContact OE1-CD 3.26Å; E88-K146 WeakPolarHBondContact OE1-CD 3.47Å; E88-K146 WeakPolarHBondContact OE1-CE 3.47Å; E88-K146 IonicContact OE1-NZ 2.91Å; E88-K146 PolarHBondContact OE1-NZ 3.48Å; E88-K146 WeakPolarHBondContact OE2-CE 3.28Å; E88-K146 IonicContact OE2-NZ 3.62Å; E88-K146 PolarHBondContact OE2-NZ 3.12Å; H138-K146 HydrophobicContact CB-CB 4.46Å; H138-K146 PolarHBondContact N-O 3.41Å; H138-K146 PolarHBondContact O-N 3.4Å; F140-K146 HydrophobicContact CD2-CG 4.38Å; F140-K146 HydrophobicContact CE2-CD 3.67Å; F140-K146 HydrophobicContact CE2-CG 3.8Å; F140-K146 HydrophobicContact CZ-CD 4.28Å
147	W	96.1	Very high	95.1	Very high	6 Å²	6	36.6 Å²	36.6	2%	0.023	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.2	178.6	-171.8	53.9	0	0	0	109.8	Q87 W89 S111 R116 V131 L134 T135 A137 P149	Q87-W147 HydrophobicContact CG-CE3 4.44Å; Q87-W147 PolarHBondContact N-O 2.92Å; Q87-W147 PolarHBondContact O-N 3.44Å; W89-W147 HydrophobicContact CH2-CB 3.8Å; W89-W147 HydrophobicContact CH2-CG 4.42Å; W89-W147 HydrophobicContact CZ3-CB 3.78Å; S111-W147 PolarHBondContact OG-NE1 2.91Å; R116-W147 VanDerWaalsContact CD-CH2 3.44Å; R116-W147 HydrophobicContact CG-CE3 4.15Å; R116-W147 HydrophobicContact CG-CH2 4.48Å; R116-W147 HydrophobicContact CG-CZ3 4Å; V131-W147 HydrophobicContact CB-CH2 4.49Å; L134-W147 HydrophobicContact CD2-CZ2 4.11Å; T135-W147 PolarHBondContact O-NE1 3.13Å; T135-W147 VanDerWaalsContact O-NE1 3.12Å; T135-W147 PolarHBondContact OG1-NE1 2.9Å; A137-W147 HydrophobicContact CB-CB 4.29Å; A137-W147 HydrophobicContact CB-CG 4.4Å; W147-P149 HydrophobicContact CD2-CG 3.93Å; W147-P149 HydrophobicContact CE3-CG 3.98Å; W147-P149 HydrophobicContact CH2-CB 4.3Å; W147-P149 HydrophobicContact CH2-CG 3.65Å; W147-P149 HydrophobicContact CZ2-CB 3.85Å; W147-P149 HydrophobicContact CZ2-CG 3.61Å; W147-P149 HydrophobicContact CZ3-CG 3.82Å
148	K	93.9	Very high	94.8	Very high	95 Å²	95	41 Å²	41	41%	0.413	21%	0.207	S	C	.	.			trans	-132.2	64.3	-173.2	-61.6	-176.6	-179.9	177	0	111.8	V85 K86	V85-K148 VanDerWaalsContact O-CA 3.31Å; V85-K148 WeakPolarHBondContact O-CA 3.25Å; K86-K148 HydrophobicContact CB-CG 4.4Å; K86-K148 HydrophobicContact CG-CD 4.17Å; K86-K148 HydrophobicContact CG-CG 4.16Å
149	P	94.3	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.			trans	-72.4	145.5	178.2	32.9	-40	0	0	0	111.6	V85 V131 H133 T135 W147	V85-P149 HydrophobicContact CB-CG 4.39Å; V85-P149 PolarHBondContact N-O 2.81Å; V85-P149 VanDerWaalsContact O-CD 3.3Å; V85-P149 WeakPolarHBondContact O-CD 3.49Å; V131-P149 HydrophobicContact CG1-CB 3.73Å; V131-P149 HydrophobicContact CG1-CG 3.96Å; H133-P149 WeakPolarHBondContact O-CB 3.17Å; T135-P149 HydrophobicContact CG2-CB 4.49Å; W147-P149 HydrophobicContact CD2-CG 3.93Å; W147-P149 HydrophobicContact CE3-CG 3.98Å; W147-P149 HydrophobicContact CH2-CB 4.3Å; W147-P149 HydrophobicContact CH2-CG 3.65Å; W147-P149 HydrophobicContact CZ2-CB 3.85Å; W147-P149 HydrophobicContact CZ2-CG 3.61Å; W147-P149 HydrophobicContact CZ3-CG 3.82Å
150	P	93.2	Very high	94.2	Very high	27 Å²	27	42.2 Å²	42.2	18%	0.175	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	142.7	164.5	31.9	-29.5	0	0	0	109.9	V83 W84 H133 T135	V83-P150 WeakPolarHBondContact O-CA 3.26Å; W84-P150 HydrophobicContact CD2-CB 4.28Å; W84-P150 HydrophobicContact CE3-CB 3.79Å; W84-P150 HydrophobicContact CE3-CG 4.33Å; W84-P150 HydrophobicContact CH2-CB 3.98Å; W84-P150 HydrophobicContact CH2-CG 4.2Å; W84-P150 HydrophobicContact CZ2-CB 4.44Å; W84-P150 HydrophobicContact CZ3-CB 3.64Å; W84-P150 HydrophobicContact CZ3-CG 3.78Å; H133-P150 HydrophobicContact CB-CG 4.21Å; T135-P150 HydrophobicContact CG2-CG 4.48Å
151	A	90.9	Very high	93.8	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.033	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	141.2	176.2	0	0	0	0	0	110.5	V83 V85 V131 Y153	V83-A151 PolarHBondContact N-O 3.08Å; V83-A151 PolarHBondContact O-N 2.9Å; V85-A151 HydrophobicContact CG2-CB 4.26Å; V131-A151 HydrophobicContact CG1-CB 4.33Å; V131-A151 HydrophobicContact CG2-CB 4.48Å; A151-Y153 HydrophobicContact CB-CD2 4.13Å; A151-Y153 HydrophobicContact CB-CE1 4.47Å; A151-Y153 HydrophobicContact CB-CE2 3.62Å
152	I	91.8	Very high	93.4	Very high	92 Å²	92	36.3 Å²	36.3	47%	0.472	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.1	167.2	-59.8	173.4	0	0	0	106.8	I70 T80 T81	I70-I152 HydrophobicContact CD1-CG1 4.49Å; I70-I152 HydrophobicContact CD1-CG2 4.11Å; T80-I152 HydrophobicContact CG2-CG2 3.79Å; T81-I152 CarbonylContact O-C 3.6Å; T81-I152 VanDerWaalsContact O-CA 3.29Å; T81-I152 WeakPolarHBondContact O-CA 3.4Å
153	Y	92.6	Very high	93	Very high	12 Å²	12	36.6 Å²	36.6	5%	0.047	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.9	177.9	-74	-61	0	0	0	110.7	T80 T81 V83 V85 L121 V131 A151 M173 F175	T80-Y153 WeakPolarHBondContact CA-O 3.29Å; T81-Y153 PolarHBondContact N-O 3.12Å; T81-Y153 PolarHBondContact O-N 2.6Å; T81-Y153 PolarHBondContact OG1-O 3.49Å; V83-Y153 HydrophobicContact CG2-CD2 3.52Å; V83-Y153 HydrophobicContact CG2-CE2 3.76Å; V85-Y153 HydrophobicContact CG2-CE2 3.79Å; L121-Y153 HydrophobicContact CB-CD1 4.22Å; L121-Y153 HydrophobicContact CB-CE1 4.21Å; L121-Y153 HydrophobicContact CD2-CD1 3.79Å; L121-Y153 HydrophobicContact CD2-CG 4.03Å; V131-Y153 WeakPolarHBondContact CG2-OH 3.33Å; A151-Y153 HydrophobicContact CB-CD2 4.13Å; A151-Y153 HydrophobicContact CB-CE1 4.47Å; A151-Y153 HydrophobicContact CB-CE2 3.62Å; Y153-M173 VanDerWaalsContact CB-CE 3.49Å; Y153-M173 HydrophobicContact CD2-CE 3.73Å; Y153-M173 HydrophobicContact CG-CE 3.85Å; Y153-F175 HydrophobicContact CD2-CE1 4.21Å; Y153-F175 AromaticContact CD2-CZ 3.9Å; Y153-F175 HydrophobicContact CD2-CZ 3.9Å; Y153-F175 HydrophobicContact CE1-CE1 4.33Å; Y153-F175 AromaticContact CE2-CE1 3.61Å; Y153-F175 HydrophobicContact CE2-CE1 3.61Å; Y153-F175 AromaticContact CE2-CZ 3.68Å; Y153-F175 HydrophobicContact CE2-CZ 3.68Å; Y153-F175 AromaticContact CZ-CE1 3.69Å
154	K	93.4	Very high	92.6	Very high	62 Å²	62	37.3 Å²	37.3	27%	0.27	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	103.5	165.3	-49.6	-168.2	-169.2	154.9	0	109.1	M79 T80 N124 A125 D126	M79-K154 WeakPolarHBondContact O-CA 3.22Å; T80-K154 HydrophobicContact CG2-CG 4.21Å; N124-K154 WeakPolarHBondContact CA-O 2.97Å; N124-K154 PolarHBondContact OD1-O 3.2Å; N124-K154 VanDerWaalsContact OD1-O 3.04Å; A125-K154 PolarHBondContact N-O 3Å; D126-K154 HydrophobicContact CB-CB 4.02Å; D126-K154 HydrophobicContact CB-CD 3.86Å; D126-K154 HydrophobicContact CB-CG 4.05Å; D126-K154 VanDerWaalsContact CG-CE 3.44Å; D126-K154 WeakPolarHBondContact OD1-CD 3.1Å; D126-K154 WeakPolarHBondContact OD1-CE 3.27Å; D126-K154 IonicContact OD1-NZ 2.61Å; D126-K154 PolarHBondContact OD1-NZ 3.45Å; D126-K154 WeakPolarHBondContact OD2-CD 3.38Å; D126-K154 WeakPolarHBondContact OD2-CE 3.4Å; D126-K154 IonicContact OD2-NZ 2.89Å; D126-K154 PolarHBondContact OD2-NZ 3.38Å
155	S	94.4	Very high	92.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	139.9	179.7	64.9	0	0	0	0	110.7	M78 M79	M78-S155 WeakPolarHBondContact CA-O 3.34Å; M79-S155 PolarHBondContact N-O 2.83Å; M79-S155 PolarHBondContact O-N 2.76Å; M79-S155 PolarHBondContact O-OG 2.85Å
156	S	93.5	Very high	91.9	Very high	54 Å²	54	35.7 Å²	35.7	38%	0.378	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.5	169.3	51.9	0	0	0	0	109.9	N123	N123-S156 PolarHBondContact ND2-O 2.87Å; N123-S156 PolarHBondContact O-N 3.17Å; N123-S156 PolarHBondContact O-OG 3.26Å
157	C	93.3	Very high	91.6	Very high	7 Å²	7	33.2 Å²	33.2	5%	0.047	18%	0.178	C	C	.	.			trans	-137.1	130.5	-178.2	176.4	0	0	0	0	110.5	Q77 M79 I159 C171	Q77-C157 CarbonylContact C-O 3.47Å; Q77-C157 WeakPolarHBondContact CB-O 3.4Å; Q77-C157 PolarHBondContact O-N 3.06Å; M79-C157 HydrophobicContact CB-CB 4.42Å; C157-I159 HydrophobicContact CB-CD1 4.34Å; C157-I159 PolarHBondContact O-N 3.28Å; C157-C171 HydrophobicContact CB-CB 3.71Å; C157-C171 WeakPolarHBondContact CB-SG 3.31Å; C157-C171 WeakPolarHBondContact SG-CA 3.39Å; C157-C171 WeakPolarHBondContact SG-CB 3.41Å; C157-C171 CovalentContact SG-SG 2.04Å; C157-C171 PolarHBondContact SG-SG 2.81Å
158	S	90.8	Very high	91.4	Very high	93 Å²	93	37.5 Å²	37.5	65%	0.65	20%	0.198	S	C	*	.			trans	-76.9	116.7	173.3	-176.4	0	0	0	0	109.4
159	I	90.9	Very high	91.5	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.031	18%	0.179	C	C	.	.			trans	-97.5	132.7	-179.5	-55.7	-60	0	0	0	109.6	V72 E74 C157 V161 Q169	V72-I159 HydrophobicContact CG1-CD1 4.04Å; E74-I159 HydrophobicContact CB-CG2 4.22Å; E74-I159 HydrophobicContact CG-CG2 4.17Å; C157-I159 HydrophobicContact CB-CD1 4.34Å; C157-I159 PolarHBondContact O-N 3.28Å; I159-V161 HydrophobicContact CG2-CG1 3.91Å; I159-Q169 HydrophobicContact CD1-CB 4.49Å; I159-Q169 HydrophobicContact CD1-CG 4.34Å; I159-Q169 HydrophobicContact CG2-CG 4.49Å
160	D	90.1	Very high	91.5	Very high	76 Å²	76	37.5 Å²	37.5	41%	0.406	20%	0.203	S	C	.	.			trans	-109.7	115.4	174.4	-175.5	-14.6	0	0	0	109.9	T162 Q169	D160-T162 WeakPolarHBondContact OD1-CB 3.42Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.45Å; D160-T162 PolarHBondContact OD1-N 2.85Å; D160-T162 PolarHBondContact OD1-OG1 2.82Å; D160-Q169 PolarHBondContact O-NE2 2.78Å
161	V	89.6	Confident	91.7	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	19%	0.194	C	C	.	.			trans	-105.3	14.1	-173.3	-68.1	0	0	0	0	113.6	I159 F163 F164 I292 P293 V298 P300	I159-V161 HydrophobicContact CG2-CG1 3.91Å; V161-F163 VanDerWaalsContact C-N 3.31Å; V161-F163 PolarHBondContact O-N 2.88Å; V161-F164 PolarHBondContact O-N 3.36Å; V161-I292 HydrophobicContact CB-CG2 4.3Å; V161-I292 HydrophobicContact CG1-CG2 4.44Å; V161-I292 HydrophobicContact CG2-CG2 3.81Å; V161-P293 HydrophobicContact CG1-CG 4.13Å; V161-P293 HydrophobicContact CG2-CG 4.47Å; V161-V298 HydrophobicContact CG2-CG2 4.48Å; V161-P300 HydrophobicContact CB-CG 4.47Å; V161-P300 HydrophobicContact CG2-CG 3.92Å
162	T	88.7	Confident	91.9	Very high	36 Å²	36	41.3 Å²	41.3	22%	0.221	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-47.9	-179	41.4	0	0	0	0	113.3	D160 V298 L301	D160-T162 WeakPolarHBondContact OD1-CB 3.42Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.45Å; D160-T162 PolarHBondContact OD1-N 2.85Å; D160-T162 PolarHBondContact OD1-OG1 2.82Å; T162-V298 HydrophobicContact CG2-CB 3.7Å; T162-V298 HydrophobicContact CG2-CG1 3.92Å; T162-V298 HydrophobicContact CG2-CG2 4.05Å; T162-L301 WeakPolarHBondContact O-CB 3.36Å; T162-L301 PolarHBondContact O-N 3.2Å
163	F	88.3	Confident	92.1	Very high	75 Å²	75	37 Å²	37	33%	0.329	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	26.2	-175.9	-59.5	-70.3	0	0	0	114.6	V161 F166 P634 P635 M640	V161-F163 VanDerWaalsContact C-N 3.31Å; V161-F163 PolarHBondContact O-N 2.88Å; F163-F166 CarbonylContact O-C 3.55Å; F163-F166 WeakPolarHBondContact O-CA 3.26Å; F163-F166 PolarHBondContact O-N 3.03Å; F163-P634 HydrophobicContact CE1-CB 3.97Å; F163-P635 HydrophobicContact CD1-CG 4.15Å; F163-M640 HydrophobicContact CB-CE 3.52Å; F163-M640 HydrophobicContact CD1-CE 3.8Å; F163-M640 HydrophobicContact CD2-CE 3.57Å; F163-M640 HydrophobicContact CD2-SD 4.41Å; F163-M640 HydrophobicContact CE1-CE 4.37Å; F163-M640 HydrophobicContact CE2-CE 4.17Å; F163-M640 HydrophobicContact CG-CE 3.34Å
164	F	87.8	Confident	92.2	Very high	15 Å²	15	38.2 Å²	38.2	7%	0.066	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	133.5	179.5	-176.4	-90.4	0	0	0	112.8	V161 Y242 L246 I291 I302	V161-F164 PolarHBondContact O-N 3.36Å; F164-Y242 HydrophobicContact CE1-CD1 4.02Å; F164-Y242 HydrophobicContact CE1-CG 4.27Å; F164-Y242 AromaticContact CZ-CD1 3.53Å; F164-Y242 HydrophobicContact CZ-CD1 3.53Å; F164-Y242 HydrophobicContact CZ-CD2 4.36Å; F164-Y242 AromaticContact CZ-CE1 3.7Å; F164-Y242 HydrophobicContact CZ-CE1 3.7Å; F164-Y242 AromaticContact CZ-CG 3.88Å; F164-Y242 HydrophobicContact CZ-CG 3.88Å; F164-L246 HydrophobicContact CE1-CD1 3.99Å; F164-I291 HydrophobicContact CZ-CG2 4.41Å; F164-I302 HydrophobicContact CD1-CG2 4.28Å
165	P	90.1	Very high	92.4	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.013	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95	11	0.3	39.7	-38	0	0	0	114.1	D167 P239 Y242 I247	P165-D167 PolarHBondContact O-N 2.77Å; P165-P239 HydrophobicContact CB-CB 4.35Å; P165-P239 HydrophobicContact CG-CB 4.03Å; P165-Y242 HydrophobicContact CB-CD2 4.02Å; P165-Y242 HydrophobicContact CB-CG 4.03Å; P165-I247 HydrophobicContact CG-CD1 4.03Å
166	F	90.1	Very high	92.4	Very high	29 Å²	29	35.2 Å²	35.2	13%	0.127	19%	0.186	C	C	.	.	S	Bend	trans	-89.4	51.9	177.8	-53.9	-76.8	0	0	0	109.9	F163 P239 I247 P635 M640 I641	F163-F166 CarbonylContact O-C 3.55Å; F163-F166 WeakPolarHBondContact O-CA 3.26Å; F163-F166 PolarHBondContact O-N 3.03Å; F166-P239 HydrophobicContact CD1-CB 3.64Å; F166-P239 HydrophobicContact CD1-CG 3.76Å; F166-P239 HydrophobicContact CE1-CB 3.53Å; F166-P239 HydrophobicContact CE1-CG 3.62Å; F166-P239 HydrophobicContact CG-CB 4.49Å; F166-P239 HydrophobicContact CZ-CB 4.31Å; F166-I247 HydrophobicContact CE2-CD1 4.04Å; F166-I247 HydrophobicContact CZ-CD1 4.43Å; F166-P635 HydrophobicContact CD2-CB 4.46Å; F166-M640 HydrophobicContact CB-CB 4.12Å; F166-M640 VanDerWaalsContact O-SD 3.34Å; F166-I641 HydrophobicContact CD1-CG1 3.91Å; F166-I641 HydrophobicContact CD2-CD1 4.3Å; F166-I641 HydrophobicContact CD2-CG1 4.15Å; F166-I641 HydrophobicContact CE1-CG1 3.99Å; F166-I641 HydrophobicContact CE2-CD1 4.13Å; F166-I641 HydrophobicContact CE2-CG1 4.22Å; F166-I641 HydrophobicContact CG-CG1 4Å; F166-I641 HydrophobicContact CZ-CD1 4.32Å; F166-I641 HydrophobicContact CZ-CG1 4.15Å
167	D	90.4	Very high	92.5	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.027	17%	0.17	C	C	.	.			trans	-104.3	152.5	-171	62.7	-38.4	0	0	0	112.9	P165 Q169 R237	P165-D167 PolarHBondContact O-N 2.77Å; D167-Q169 PolarHBondContact OD2-NE2 2.96Å; D167-R237 PolarHBondContact O-N 3.02Å; D167-R237 VanDerWaalsContact OD1-CB 3.27Å; D167-R237 WeakPolarHBondContact OD1-CB 3.5Å; D167-R237 IonicContact OD1-CZ 2.92Å; D167-R237 IonicContact OD1-NE 2.72Å; D167-R237 PolarHBondContact OD1-NE 3.43Å; D167-R237 IonicContact OD2-CZ 3.17Å; D167-R237 IonicContact OD2-NE 2.75Å; D167-R237 IonicContact OD2-NH2 2.68Å; D167-R237 PolarHBondContact OD2-NH2 3.45Å
168	Q	92.5	Very high	92.4	Very high	95 Å²	95	40.1 Å²	40.1	44%	0.444	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125.4	171.1	-173	178	-61.1	0	0	108.5	I208 I234 I235 R236	Q168-I208 HydrophobicContact CG-CD1 4.16Å; Q168-I234 HydrophobicContact CG-CG2 3.92Å; Q168-I235 CarbonylContact C-O 3.57Å; Q168-I235 WeakPolarHBondContact CA-O 3.38Å; Q168-I235 WeakPolarHBondContact CG-O 3.27Å; Q168-R236 VanDerWaalsContact OE1-NH2 3.14Å
169	Q	94.7	Very high	92.5	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.019	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	147.9	-177.5	-54.4	-58.1	-24.5	0	0	110.9	I159 D160 D167 W205 I234 I235	I159-Q169 HydrophobicContact CD1-CB 4.49Å; I159-Q169 HydrophobicContact CD1-CG 4.34Å; I159-Q169 HydrophobicContact CG2-CG 4.49Å; D160-Q169 PolarHBondContact O-NE2 2.78Å; D167-Q169 PolarHBondContact OD2-NE2 2.96Å; Q169-W205 HydrophobicContact CB-CZ3 4.49Å; Q169-W205 HydrophobicContact CG-CH2 3.78Å; Q169-W205 HydrophobicContact CG-CZ3 3.82Å; Q169-I234 WeakPolarHBondContact O-CA 3.19Å; Q169-I235 HydrophobicContact CB-CD1 4.25Å; Q169-I235 HydrophobicContact CB-CG1 3.78Å; Q169-I235 PolarHBondContact N-O 3.37Å; Q169-I235 PolarHBondContact O-N 3.12Å
170	N	95.3	Very high	92.7	Very high	92 Å²	92	42.1 Å²	42.1	49%	0.492	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	91.1	177.6	-177.6	4.2	0	0	0	109.9
171	C	96.4	Very high	93	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142.6	179.7	-65.7	0	0	0	0	111.3	M79 C157 Y232 F233	M79-C171 HydrophobicContact SD-CB 3.42Å; M79-C171 WeakPolarHBondContact SD-CB 3.47Å; C157-C171 HydrophobicContact CB-CB 3.71Å; C157-C171 WeakPolarHBondContact CB-SG 3.31Å; C157-C171 WeakPolarHBondContact SG-CA 3.39Å; C157-C171 WeakPolarHBondContact SG-CB 3.41Å; C157-C171 CovalentContact SG-SG 2.04Å; C157-C171 PolarHBondContact SG-SG 2.81Å; C171-Y232 CarbonylContact O-C 3.54Å; C171-Y232 WeakPolarHBondContact O-CA 3.5Å; C171-F233 PolarHBondContact N-O 2.81Å; C171-F233 PolarHBondContact O-N 2.92Å
172	K	95.9	Very high	93.2	Very high	111 Å²	111	44.1 Å²	44.1	48%	0.483	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.5	-178.9	66.9	-173.1	177.3	-171.4	0	111.4	N123 T230 Y231 Y232	N123-K172 PolarHBondContact ND2-O 3.16Å; K172-T230 HydrophobicContact CB-CG2 4.01Å; K172-Y231 CarbonylContact C-O 3.51Å; K172-Y231 WeakPolarHBondContact CA-O 3.45Å; K172-Y232 HydrophobicContact CB-CD1 4.01Å; K172-Y232 HydrophobicContact CB-CE1 4.09Å; K172-Y232 HydrophobicContact CD-CE1 4.47Å
173	M	95.4	Very high	93.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.9	170.4	-63.8	-178.8	75.4	0	0	108.8	T81 L121 Y153 F175 T230 Y231 F233	T81-M173 HydrophobicContact CG2-SD 4.48Å; L121-M173 HydrophobicContact CD1-CB 3.9Å; L121-M173 HydrophobicContact CD1-CE 4.31Å; L121-M173 HydrophobicContact CD2-CE 4.31Å; Y153-M173 VanDerWaalsContact CB-CE 3.49Å; Y153-M173 HydrophobicContact CD2-CE 3.73Å; Y153-M173 HydrophobicContact CG-CE 3.85Å; M173-F175 HydrophobicContact CB-CD2 4.34Å; M173-F175 HydrophobicContact CB-CE2 3.71Å; M173-F175 HydrophobicContact CB-CZ 4.49Å; M173-F175 HydrophobicContact CE-CE2 3.97Å; M173-F175 HydrophobicContact CE-CZ 3.69Å; M173-T230 CarbonylContact O-C 3.6Å; M173-T230 WeakPolarHBondContact O-CA 3.05Å; M173-Y231 PolarHBondContact N-O 2.95Å; M173-Y231 PolarHBondContact O-N 3.35Å; M173-F233 HydrophobicContact CB-CE2 4.35Å; M173-F233 HydrophobicContact CG-CD2 4.29Å; M173-F233 HydrophobicContact CG-CE2 3.89Å; M173-F233 HydrophobicContact SD-CD2 4.29Å; M173-F233 HydrophobicContact SD-CE2 3.51Å; M173-F233 VanDerWaalsContact SD-CE2 3.51Å; M173-F233 HydrophobicContact SD-CZ 4.14Å
174	K	95.6	Very high	93.9	Very high	38 Å²	38	45.8 Å²	45.8	17%	0.165	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	105.7	-173.9	-174.3	174.1	-173.6	-172.4	0	111.1	L121 Y122 N123 Y219 D228	L121-K174 CarbonylContact C-O 3.59Å; L121-K174 WeakPolarHBondContact CA-O 3.3Å; Y122-K174 HydrophobicContact CD2-CD 3.73Å; Y122-K174 HydrophobicContact CD2-CG 3.86Å; Y122-K174 PolarHBondContact N-O 3.46Å; N123-K174 PolarHBondContact OD1-N 3.48Å; K174-Y219 PolarHBondContact NZ-OH 3.43Å; K174-D228 WeakPolarHBondContact CE-OD1 3.03Å; K174-D228 WeakPolarHBondContact CE-OD2 3.34Å; K174-D228 HydrophobicContact CG-CB 4.48Å; K174-D228 IonicContact NZ-OD1 2.95Å; K174-D228 PolarHBondContact NZ-OD1 2.92Å; K174-D228 IonicContact NZ-OD2 3.95Å
175	F	95.9	Very high	94.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.4	179.2	-68.2	-83.5	0	0	0	111.6	F62 L64 I119 V120 L121 Y153 M173 D228 I229 Y231	F62-F175 HydrophobicContact CE1-CB 3.93Å; F62-F175 HydrophobicContact CE1-CD2 4.09Å; F62-F175 AromaticContact CE1-CG 3.94Å; F62-F175 HydrophobicContact CE1-CG 3.94Å; F62-F175 HydrophobicContact CZ-CB 3.93Å; F62-F175 AromaticContact CZ-CD1 3.91Å; F62-F175 HydrophobicContact CZ-CD1 3.91Å; F62-F175 HydrophobicContact CZ-CD2 4.19Å; F62-F175 HydrophobicContact CZ-CE1 4.46Å; F62-F175 AromaticContact CZ-CG 3.73Å; F62-F175 HydrophobicContact CZ-CG 3.73Å; L64-F175 HydrophobicContact CD1-CD2 3.98Å; L64-F175 HydrophobicContact CD1-CE2 3.43Å; L64-F175 VanDerWaalsContact CD1-CE2 3.43Å; L64-F175 HydrophobicContact CD1-CZ 4.16Å; L64-F175 HydrophobicContact CD2-CE2 4.25Å; L64-F175 HydrophobicContact CD2-CZ 4.26Å; L64-F175 HydrophobicContact CG-CE2 4.4Å; I119-F175 HydrophobicContact CG2-CB 4.26Å; I119-F175 HydrophobicContact CG2-CD1 4.32Å; V120-F175 WeakPolarHBondContact O-CA 3.34Å; L121-F175 HydrophobicContact CB-CD1 4.38Å; L121-F175 HydrophobicContact CB-CE1 4.08Å; L121-F175 HydrophobicContact CD1-CD1 4.44Å; L121-F175 HydrophobicContact CD1-CD2 4.43Å; L121-F175 HydrophobicContact CD1-CE1 4.14Å; L121-F175 HydrophobicContact CD1-CE2 4.11Å; L121-F175 HydrophobicContact CD1-CZ 3.98Å; Y153-F175 HydrophobicContact CD2-CE1 4.21Å; Y153-F175 AromaticContact CD2-CZ 3.9Å; Y153-F175 HydrophobicContact CD2-CZ 3.9Å; Y153-F175 HydrophobicContact CE1-CE1 4.33Å; Y153-F175 AromaticContact CE2-CE1 3.61Å; Y153-F175 HydrophobicContact CE2-CE1 3.61Å; Y153-F175 AromaticContact CE2-CZ 3.68Å; Y153-F175 HydrophobicContact CE2-CZ 3.68Å; Y153-F175 AromaticContact CZ-CE1 3.69Å; M173-F175 HydrophobicContact CB-CD2 4.34Å; M173-F175 HydrophobicContact CB-CE2 3.71Å; M173-F175 HydrophobicContact CB-CZ 4.49Å; M173-F175 HydrophobicContact CE-CE2 3.97Å; M173-F175 HydrophobicContact CE-CZ 3.69Å; F175-D228 CarbonylContact O-C 3.56Å; F175-D228 VanDerWaalsContact O-CA 3.27Å; F175-D228 WeakPolarHBondContact O-CA 3.39Å; F175-D228 WeakPolarHBondContact O-CB 3.03Å; F175-I229 PolarHBondContact N-O 2.81Å; F175-I229 PolarHBondContact O-N 3.21Å; F175-Y231 HydrophobicContact CD2-CD2 4.1Å; F175-Y231 HydrophobicContact CE2-CD2 4.48Å
176	G	95.1	Very high	94.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	166.4	176.2	0	0	0	0	0	111.9	I119 V120	I119-G176 WeakPolarHBondContact CA-O 3.3Å; V120-G176 PolarHBondContact N-O 2.9Å; V120-G176 PolarHBondContact O-N 3.25Å; V120-G176 VanDerWaalsContact O-N 3.08Å
177	S	95	Very high	94.9	Very high	5 Å²	5	45.5 Å²	45.5	4%	0.035	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	141.3	166.7	174	0	0	0	0	109.5	D118 Y122 Y180	D118-S177 WeakPolarHBondContact O-CA 3.46Å; D118-S177 PolarHBondContact OD1-OG 2.82Å; Y122-S177 PolarHBondContact OH-O 2.62Å; S177-Y180 WeakPolarHBondContact OG-CB 3.32Å; S177-Y180 PolarHBondContact OG-N 3.39Å; S177-Y180 VanDerWaalsContact OG-N 3.13Å
178	W	92	Very high	95.2	Very high	159 Å²	159	48.1 Å²	48.1	60%	0.602	23%	0.231	S	C	*	.	S	Bend	trans	-82.8	-46.9	178.5	-171.1	-102.3	0	0	0	112.3	D118 V120 Y122	D118-W178 PolarHBondContact O-N 2.61Å; D118-W178 PolarHBondContact OD2-N 2.96Å; V120-W178 HydrophobicContact CG2-CB 4.19Å; Y122-W178 AromaticContact CD1-CE3 3.95Å; Y122-W178 HydrophobicContact CD1-CE3 3.95Å; Y122-W178 AromaticContact CD1-CZ3 3.99Å; Y122-W178 HydrophobicContact CD1-CZ3 3.99Å; Y122-W178 AromaticContact CE1-CE3 3.78Å; Y122-W178 HydrophobicContact CE1-CE3 3.78Å; Y122-W178 HydrophobicContact CE1-CZ3 4.21Å
179	T	93.6	Very high	95.3	Very high	88 Å²	88	45.4 Å²	45.4	54%	0.54	22%	0.223	S	C	.	.	S	Bend	trans	-103.7	-24.4	-170.7	61.2	0	0	0	0	114.3	D118	D118-T179 WeakPolarHBondContact OD2-CB 3.3Å; D118-T179 PolarHBondContact OD2-N 2.87Å; D118-T179 PolarHBondContact OD2-OG1 2.87Å
180	Y	94.9	Very high	95.2	Very high	53 Å²	53	48.5 Å²	48.5	21%	0.208	24%	0.238	C	C	.	.			trans	-93.7	135.7	-177.6	-62.2	-88	0	0	0	111.8	D118 S177 K184 I185 Y226	D118-Y180 WeakPolarHBondContact OD1-CD2 3.12Å; S177-Y180 WeakPolarHBondContact OG-CB 3.32Å; S177-Y180 PolarHBondContact OG-N 3.39Å; S177-Y180 VanDerWaalsContact OG-N 3.13Å; Y180-K184 HydrophobicContact CD1-CB 3.8Å; Y180-K184 HydrophobicContact CD1-CD 3.91Å; Y180-K184 HydrophobicContact CD1-CG 4.49Å; Y180-K184 HydrophobicContact CG-CB 4.48Å; Y180-I185 HydrophobicContact CD1-CD1 4.22Å; Y180-I185 HydrophobicContact CD1-CG1 4.29Å; Y180-I185 HydrophobicContact CD2-CD1 3.37Å; Y180-I185 HydrophobicContact CD2-CG1 4.23Å; Y180-I185 HydrophobicContact CE2-CD1 3.99Å; Y180-I185 HydrophobicContact CG-CD1 3.5Å; Y180-I185 VanDerWaalsContact CG-CD1 3.5Å; Y180-I185 HydrophobicContact CG-CG1 3.84Å; Y180-Y226 VanDerWaalsContact O-CD1 3.29Å; Y180-Y226 WeakPolarHBondContact O-CD1 3.44Å; Y180-Y226 WeakPolarHBondContact O-CE1 3.17Å
181	D	95	Very high	95.1	Very high	17 Å²	17	46.4 Å²	46.4	9%	0.091	23%	0.234	C	C	.	.			trans	-76.4	167.3	169.1	59.7	-21.2	0	0	0	111.3	A183 K184 I185 E224	D181-A183 PolarHBondContact O-N 3.35Å; D181-A183 VanDerWaalsContact O-N 3.14Å; D181-K184 PolarHBondContact O-N 2.93Å; D181-K184 WeakPolarHBondContact OD1-CB 3.47Å; D181-K184 VanDerWaalsContact OD1-CD 3.22Å; D181-K184 WeakPolarHBondContact OD1-CD 3.2Å; D181-K184 WeakPolarHBondContact OD1-CG 3.48Å; D181-K184 PolarHBondContact OD1-N 3.23Å; D181-K184 IonicContact OD1-NZ 3.66Å; D181-K184 PolarHBondContact OD1-NZ 3.39Å; D181-K184 IonicContact OD2-NZ 3.99Å; D181-K184 PolarHBondContact OD2-NZ 3.03Å; D181-I185 PolarHBondContact O-N 2.96Å; D181-E224 HydrophobicContact CB-CB 3.91Å; D181-E224 HydrophobicContact CB-CG 4.35Å
182	R	95	Very high	94.8	Very high	102 Å²	102	50.3 Å²	50.3	39%	0.385	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.9	178.7	-175.6	179.9	178.8	-155.8	-2.2	113.2	K184 I185 D186 Y214 I225 A227	R182-K184 PolarHBondContact O-N 3.41Å; R182-I185 WeakPolarHBondContact CA-O 3.38Å; R182-D186 IonicContact NE-OD1 3.99Å; R182-D186 IonicContact NE-OD2 3.6Å; R182-D186 IonicContact NH2-OD2 3.95Å; R182-Y214 PolarHBondContact NE-OH 3.41Å; R182-I225 VanDerWaalsContact CB-O 3.3Å; R182-I225 WeakPolarHBondContact CB-O 3.26Å; R182-I225 PolarHBondContact N-O 3.36Å; R182-A227 HydrophobicContact CB-CB 4.44Å; R182-A227 HydrophobicContact CG-CB 4.32Å
183	A	95	Very high	94.6	Very high	61 Å²	61	49.6 Å²	49.6	50%	0.504	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-12.2	179.2	0	0	0	0	0	113.6	T57 D181	T57-A183 WeakPolarHBondContact CG2-O 3.44Å; D181-A183 PolarHBondContact O-N 3.35Å; D181-A183 VanDerWaalsContact O-N 3.14Å
184	K	95.4	Very high	94.5	Very high	85 Å²	85	49.8 Å²	49.8	37%	0.37	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-41.1	175.6	-68.1	176.4	-161.7	80.9	0	112.5	R49 V58 Y180 D181 R182	R49-K184 VanDerWaalsContact NH1-CA 3.34Å; R49-K184 PolarHBondContact NH1-O 3.43Å; V58-K184 PolarHBondContact N-O 2.81Å; Y180-K184 HydrophobicContact CD1-CB 3.8Å; Y180-K184 HydrophobicContact CD1-CD 3.91Å; Y180-K184 HydrophobicContact CD1-CG 4.49Å; Y180-K184 HydrophobicContact CG-CB 4.48Å; D181-K184 PolarHBondContact O-N 2.93Å; D181-K184 WeakPolarHBondContact OD1-CB 3.47Å; D181-K184 VanDerWaalsContact OD1-CD 3.22Å; D181-K184 WeakPolarHBondContact OD1-CD 3.2Å; D181-K184 WeakPolarHBondContact OD1-CG 3.48Å; D181-K184 PolarHBondContact OD1-N 3.23Å; D181-K184 IonicContact OD1-NZ 3.66Å; D181-K184 PolarHBondContact OD1-NZ 3.39Å; D181-K184 IonicContact OD2-NZ 3.99Å; D181-K184 PolarHBondContact OD2-NZ 3.03Å; R182-K184 PolarHBondContact O-N 3.41Å
185	I	96.4	Very high	94.4	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.2	175.8	-63.8	-175.4	0	0	0	108.3	V58 V60 W115 P117 Y180 D181 R182 L187	V58-I185 WeakPolarHBondContact O-CA 3.29Å; V60-I185 HydrophobicContact CG2-CG2 3.92Å; W115-I185 HydrophobicContact CH2-CD1 4.06Å; W115-I185 HydrophobicContact CZ2-CD1 4.03Å; P117-I185 HydrophobicContact CB-CD1 4.23Å; Y180-I185 HydrophobicContact CD1-CD1 4.22Å; Y180-I185 HydrophobicContact CD1-CG1 4.29Å; Y180-I185 HydrophobicContact CD2-CD1 3.37Å; Y180-I185 HydrophobicContact CD2-CG1 4.23Å; Y180-I185 HydrophobicContact CE2-CD1 3.99Å; Y180-I185 HydrophobicContact CG-CD1 3.5Å; Y180-I185 VanDerWaalsContact CG-CD1 3.5Å; Y180-I185 HydrophobicContact CG-CG1 3.84Å; D181-I185 PolarHBondContact O-N 2.96Å; R182-I185 WeakPolarHBondContact CA-O 3.38Å; I185-L187 HydrophobicContact CG2-CD2 4.4Å
186	D	96.7	Very high	94.2	Very high	31 Å²	31	53.6 Å²	53.6	17%	0.166	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137	169.4	-156.2	2.5	0	0	0	110.2	V58 L59 V60 R182 Y214	V58-D186 PolarHBondContact O-N 2.97Å; V58-D186 VanDerWaalsContact O-N 3.09Å; L59-D186 HydrophobicContact CD2-CB 4.1Å; V60-D186 PolarHBondContact N-O 2.82Å; R182-D186 IonicContact NE-OD1 3.99Å; R182-D186 IonicContact NE-OD2 3.6Å; R182-D186 IonicContact NH2-OD2 3.95Å; D186-Y214 PolarHBondContact OD1-OH 3.32Å
187	L	96.5	Very high	93.9	Very high	6 Å²	6	61.3 Å²	61.3	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.9	-176.4	-62.7	177.2	0	0	0	109.8	V60 I119 I185 Y214 I229	V60-L187 HydrophobicContact CB-CD2 4.11Å; V60-L187 HydrophobicContact CG1-CD2 4.36Å; I119-L187 HydrophobicContact CD1-CD2 3.72Å; I185-L187 HydrophobicContact CG2-CD2 4.4Å; L187-Y214 HydrophobicContact CB-CE2 4.44Å; L187-Y214 WeakPolarHBondContact O-CD2 3.45Å; L187-Y214 WeakPolarHBondContact O-CE2 3.42Å; L187-I229 HydrophobicContact CB-CD1 3.84Å; L187-I229 HydrophobicContact CB-CG1 4.13Å; L187-I229 HydrophobicContact CD1-CG1 4.35Å
188	I	96.1	Very high	93.7	Very high	60 Å²	60	66.4 Å²	66.4	31%	0.308	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.3	175.8	-57.2	179.8	0	0	0	108.1	L59 V60 H61 F62 M190	L59-I188 HydrophobicContact CB-CD1 3.96Å; L59-I188 HydrophobicContact CD1-CD1 4.01Å; L59-I188 HydrophobicContact CD2-CD1 4.13Å; L59-I188 HydrophobicContact CG-CD1 4.24Å; V60-I188 PolarHBondContact O-N 3.2Å; H61-I188 CarbonylContact C-O 3.52Å; H61-I188 VanDerWaalsContact CA-O 3.28Å; H61-I188 WeakPolarHBondContact CA-O 3.4Å; F62-I188 PolarHBondContact N-O 3.05Å; I188-M190 PolarHBondContact O-N 2.83Å
189	S	94.6	Very high	93.8	Very high	39 Å²	39	61 Å²	61	27%	0.273	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	128.5	174.2	177.4	0	0	0	0	110.2	F62 A191	F62-S189 WeakPolarHBondContact O-CA 3.44Å; S189-A191 PolarHBondContact OG-O 3.36Å
190	M	93.8	Very high	93.7	Very high	68 Å²	68	65.6 Å²	65.6	34%	0.335	34%	0.336	S	S	.	.	S	Bend	trans	-69.7	-34.6	177	-67.3	-179.1	-169.3	0	0	112.5	H61 F62 K86 E88 I188	H61-M190 VanDerWaalsContact C-CE 3.49Å; H61-M190 HydrophobicContact CB-CE 3.82Å; H61-M190 HydrophobicContact CB-CG 4Å; H61-M190 WeakPolarHBondContact O-CE 3.28Å; F62-M190 PolarHBondContact O-N 2.88Å; K86-M190 HydrophobicContact CB-CE 3.93Å; K86-M190 HydrophobicContact CB-SD 4Å; K86-M190 WeakPolarHBondContact O-CE 3.42Å; E88-M190 HydrophobicContact CB-CE 4.16Å; E88-M190 HydrophobicContact CG-CE 3.63Å; I188-M190 PolarHBondContact O-N 2.83Å
191	A	92.3	Very high	93.5	Very high	49 Å²	49	70.6 Å²	70.6	41%	0.405	36%	0.361	S	S	.	.			trans	-151.6	147.5	-178.7	0	0	0	0	0	109.6	S189 D193	S189-A191 PolarHBondContact OG-O 3.36Å; A191-D193 PolarHBondContact O-N 3.5Å
192	S	90.1	Very high	93.3	Very high	81 Å²	81	71.2 Å²	71.2	57%	0.566	37%	0.367	S	S	*	.	S	Bend	trans	-64.7	-24	178.3	36	0	0	0	0	113.7	G212	S192-G212 PolarHBondContact O-N 3.05Å
193	D	93	Very high	93	Very high	96 Å²	96	70 Å²	70	51%	0.513	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-120.5	147.5	-170.1	24.5	-58	0	0	0	109.6	A191 A210	A191-D193 PolarHBondContact O-N 3.5Å; D193-A210 WeakPolarHBondContact CA-O 3.4Å
194	V	93.5	Very high	92.8	Very high	5 Å²	5	70 Å²	70	3%	0.03	38%	0.376	C	S	.	.			trans	-72.3	131.2	176.8	-179.1	0	0	0	0	108.6	L64 I66 Q196 A210 Y231 F233	L64-V194 HydrophobicContact CB-CG1 4.29Å; I66-V194 HydrophobicContact CB-CG1 4.3Å; I66-V194 HydrophobicContact CG2-CG1 4.16Å; V194-Q196 PolarHBondContact O-N 3.18Å; V194-A210 HydrophobicContact CB-CB 3.7Å; V194-A210 HydrophobicContact CG2-CB 3.75Å; V194-A210 PolarHBondContact N-O 2.8Å; V194-Y231 HydrophobicContact CG2-CD1 3.28Å; V194-Y231 HydrophobicContact CG2-CE1 3.71Å; V194-Y231 HydrophobicContact CG2-CG 4.21Å; V194-F233 HydrophobicContact CG1-CE1 4.31Å; V194-F233 HydrophobicContact CG2-CE1 4.18Å; V194-F233 HydrophobicContact CG2-CZ 4.13Å
195	D	92.2	Very high	92.7	Very high	46 Å²	46	66.3 Å²	66.3	25%	0.246	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-69.8	122.5	178.1	-180	8.6	0	0	0	110.9	L64 S65 I66 K86 M197	L64-D195 PolarHBondContact O-N 3.4Å; S65-D195 VanDerWaalsContact CA-O 3.27Å; S65-D195 WeakPolarHBondContact CA-O 3Å; S65-D195 PolarHBondContact OG-O 3.39Å; I66-D195 PolarHBondContact N-O 2.89Å; K86-D195 IonicContact NZ-OD2 3.35Å; K86-D195 PolarHBondContact NZ-OD2 2.91Å; D195-M197 WeakPolarHBondContact OD1-CB 3.23Å; D195-M197 WeakPolarHBondContact OD1-CG 3.21Å; D195-M197 PolarHBondContact OD1-N 3.2Å
196	Q	91.3	Very high	92.7	Very high	72 Å²	72	68.9 Å²	68.9	34%	0.336	38%	0.375	S	S	.	.			trans	-113.8	11.4	-177.1	-64.7	173.4	35.9	0	0	112.6	I66 V194 D198 Y199	I66-Q196 HydrophobicContact CG2-CG 3.92Å; V194-Q196 PolarHBondContact O-N 3.18Å; Q196-D198 PolarHBondContact O-N 2.93Å; Q196-Y199 VanDerWaalsContact O-CB 3.24Å; Q196-Y199 WeakPolarHBondContact O-CB 3.4Å; Q196-Y199 PolarHBondContact O-N 2.85Å; Q196-Y199 VanDerWaalsContact O-N 3.13Å
197	M	89.5	Confident	92.6	Very high	161 Å²	161	68.6 Å²	68.6	79%	0.793	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.9	-176.4	-65.2	-62	120.7	0	0	113.3	D195	D195-M197 WeakPolarHBondContact OD1-CB 3.23Å; D195-M197 WeakPolarHBondContact OD1-CG 3.21Å; D195-M197 PolarHBondContact OD1-N 3.2Å
198	D	90.3	Very high	92.4	Very high	112 Å²	112	72 Å²	72	60%	0.599	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	22	179.9	-61.6	-39.8	0	0	0	112.4	Q196 W200	Q196-D198 PolarHBondContact O-N 2.93Å; D198-W200 PolarHBondContact O-N 3.48Å
199	Y	93.8	Very high	92.4	Very high	45 Å²	45	72.6 Å²	72.6	18%	0.176	39%	0.394	C	S	.	.			trans	-75.3	124.7	-176.4	178.2	-117.6	0	0	0	112	I66 L69 Q196 E201 I207	I66-Y199 HydrophobicContact CD1-CE2 4.43Å; I66-Y199 HydrophobicContact CG1-CD2 4.2Å; I66-Y199 HydrophobicContact CG1-CE2 4.47Å; I66-Y199 HydrophobicContact CG2-CD2 3.99Å; L69-Y199 HydrophobicContact CB-CE2 4.48Å; Q196-Y199 VanDerWaalsContact O-CB 3.24Å; Q196-Y199 WeakPolarHBondContact O-CB 3.4Å; Q196-Y199 PolarHBondContact O-N 2.85Å; Q196-Y199 VanDerWaalsContact O-N 3.13Å; Y199-E201 HydrophobicContact CD1-CG 4.22Å; Y199-E201 HydrophobicContact CE1-CB 4.36Å; Y199-E201 HydrophobicContact CE1-CG 4.08Å; Y199-I207 HydrophobicContact CD2-CD1 4.26Å; Y199-I207 HydrophobicContact CE1-CD1 4.34Å; Y199-I207 HydrophobicContact CE2-CD1 3.65Å
200	W	92.7	Very high	92.4	Very high	186 Å²	186	70.8 Å²	70.8	71%	0.705	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-88.1	113	167.4	-170.3	-87.4	0	0	0	109.9	A67 Q68 D198 S202	A67-W200 PolarHBondContact O-N 3.21Å; Q68-W200 HydrophobicContact CG-CB 4.48Å; D198-W200 PolarHBondContact O-N 3.48Å; W200-S202 PolarHBondContact O-N 3.44Å
201	E	91.1	Very high	92.5	Very high	157 Å²	157	70 Å²	70	73%	0.734	38%	0.381	S	S	*	.			trans	-58.3	132.4	-178	-65	-178.9	176.2	0	0	111.9	Y199	Y199-E201 HydrophobicContact CD1-CG 4.22Å; Y199-E201 HydrophobicContact CE1-CB 4.36Å; Y199-E201 HydrophobicContact CE1-CG 4.08Å
202	S	89.9	Confident	92.7	Very high	30 Å²	30	68.4 Å²	68.4	21%	0.21	37%	0.369	C	S	.	.			trans	-85	142.8	171.8	-178.6	0	0	0	0	110.4	W200 E204	W200-S202 PolarHBondContact O-N 3.44Å; S202-E204 VanDerWaalsContact C-N 3.3Å; S202-E204 PolarHBondContact O-N 3.03Å
203	G	88.6	Confident	92.9	Very high	76 Å²	76	70.4 Å²	70.4	78%	0.784	37%	0.368	S	S	*	.	S	Bend	trans	-78.5	-9.8	179.4	0	0	0	0	0	114.8	L238	G203-L238 WeakPolarHBondContact O-CD1 3.36Å
204	E	90.9	Very high	93.1	Very high	63 Å²	63	69.6 Å²	69.6	29%	0.294	36%	0.358	S	S	.	.	S	Bend	trans	-113.5	-33.2	-179	-176.1	171.2	-175.3	0	0	113	S202 R237 L238 Y242	S202-E204 VanDerWaalsContact C-N 3.3Å; S202-E204 PolarHBondContact O-N 3.03Å; E204-R237 HydrophobicContact CG-CG 4.34Å; E204-R237 IonicContact OE1-NH1 3.05Å; E204-R237 PolarHBondContact OE1-NH1 3.24Å; E204-L238 PolarHBondContact O-N 3.34Å; E204-Y242 WeakPolarHBondContact OE1-CE2 3.45Å; E204-Y242 PolarHBondContact OE1-OH 3.29Å
205	W	94.3	Very high	93.1	Very high	6 Å²	6	71.3 Å²	71.3	2%	0.023	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.1	-172.4	-67.2	96.6	0	0	0	111.4	L69 V72 Q169 I235 R237	L69-W205 HydrophobicContact CD2-CB 3.7Å; L69-W205 HydrophobicContact CD2-CG 4.26Å; V72-W205 HydrophobicContact CB-CZ2 4.13Å; V72-W205 HydrophobicContact CG1-CZ2 4.23Å; V72-W205 HydrophobicContact CG2-CD2 4.49Å; Q169-W205 HydrophobicContact CB-CZ3 4.49Å; Q169-W205 HydrophobicContact CG-CH2 3.78Å; Q169-W205 HydrophobicContact CG-CZ3 3.82Å; W205-I235 HydrophobicContact CD2-CD1 4.26Å; W205-I235 HydrophobicContact CE3-CB 4.23Å; W205-I235 HydrophobicContact CE3-CD1 3.83Å; W205-I235 HydrophobicContact CE3-CG1 3.88Å; W205-I235 HydrophobicContact CZ3-CD1 4.15Å; W205-I235 HydrophobicContact CZ3-CG1 4.09Å; W205-R237 HydrophobicContact CE3-CB 4.06Å; W205-R237 HydrophobicContact CH2-CB 4.08Å; W205-R237 HydrophobicContact CH2-CG 4.5Å; W205-R237 VanDerWaalsContact CH2-NH2 3.29Å; W205-R237 HydrophobicContact CZ3-CB 3.79Å
206	V	94.6	Very high	93.3	Very high	58 Å²	58	72.3 Å²	72.3	35%	0.352	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.3	172.7	-61.7	0	0	0	0	110.3	I235 R236 L238	V206-I235 CarbonylContact O-C 3.56Å; V206-I235 VanDerWaalsContact O-CA 3.26Å; V206-I235 WeakPolarHBondContact O-CA 3.26Å; V206-R236 HydrophobicContact CG2-CB 3.99Å; V206-R236 WeakPolarHBondContact CG2-O 3.43Å; V206-R236 PolarHBondContact N-O 2.75Å; V206-R236 PolarHBondContact O-N 3.03Å; V206-L238 HydrophobicContact CG1-CD1 4.18Å; V206-L238 HydrophobicContact CG1-CD2 4.17Å; V206-L238 HydrophobicContact CG1-CG 4.19Å
207	I	95.1	Very high	93.4	Very high	24 Å²	24	74 Å²	74	12%	0.123	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.5	174.8	-55.7	175.3	0	0	0	107.8	I66 Y199 A210 I235	I66-I207 HydrophobicContact CD1-CD1 3.78Å; I66-I207 HydrophobicContact CG2-CD1 4.49Å; Y199-I207 HydrophobicContact CD2-CD1 4.26Å; Y199-I207 HydrophobicContact CE1-CD1 4.34Å; Y199-I207 HydrophobicContact CE2-CD1 3.65Å; I207-A210 HydrophobicContact CG2-CB 4.13Å; I207-I235 HydrophobicContact CG1-CG2 4.03Å
208	I	93.8	Very high	93.7	Very high	78 Å²	78	72.4 Å²	72.4	40%	0.4	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-45.6	177.1	-60.8	168.4	0	0	0	109.8	Q168 I234 R236	Q168-I208 HydrophobicContact CG-CD1 4.16Å; I208-I234 HydrophobicContact CB-CG2 4.31Å; I208-I234 HydrophobicContact CD1-CG2 4.37Å; I208-I234 PolarHBondContact N-O 3.16Å; I208-R236 HydrophobicContact CD1-CB 3.56Å; I208-R236 HydrophobicContact CG1-CB 4.14Å
209	N	94.3	Very high	93.8	Very high	72 Å²	72	69.9 Å²	69.9	39%	0.385	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	143.6	-177.3	-164.4	7	0	0	0	110.5	V211 I234	N209-V211 WeakPolarHBondContact OD1-CG1 3.48Å; N209-I234 HydrophobicContact CB-CB 4.23Å; N209-I234 HydrophobicContact CB-CD1 4.23Å; N209-I234 PolarHBondContact N-O 2.81Å; N209-I234 PolarHBondContact O-N 2.91Å
210	A	95.6	Very high	93.8	Very high	1 Å²	1	77.5 Å²	77.5	1%	0.008	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	103.4	178.1	0	0	0	0	0	109.5	D193 V194 I207 Y232 F233	D193-A210 WeakPolarHBondContact CA-O 3.4Å; V194-A210 HydrophobicContact CB-CB 3.7Å; V194-A210 HydrophobicContact CG2-CB 3.75Å; V194-A210 PolarHBondContact N-O 2.8Å; I207-A210 HydrophobicContact CG2-CB 4.13Å; A210-Y232 CarbonylContact C-O 3.6Å; A210-Y232 VanDerWaalsContact CA-O 3.26Å; A210-Y232 WeakPolarHBondContact CA-O 3.49Å; A210-F233 HydrophobicContact CB-CD1 3.91Å; A210-F233 HydrophobicContact CB-CE1 4.08Å
211	V	95.7	Very high	93.7	Very high	52 Å²	52	73.7 Å²	73.7	32%	0.315	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.9	-171.7	-63.6	0	0	0	0	112.3	N209 Y231 Y232	N209-V211 WeakPolarHBondContact OD1-CG1 3.48Å; V211-Y231 CarbonylContact O-C 3.52Å; V211-Y231 VanDerWaalsContact O-CA 3.3Å; V211-Y231 WeakPolarHBondContact O-CA 3.26Å; V211-Y232 PolarHBondContact N-O 2.87Å; V211-Y232 PolarHBondContact O-N 2.75Å
212	G	95.4	Very high	93.7	Very high	16 Å²	16	67.8 Å²	67.8	17%	0.165	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.7	174.4	0	0	0	0	0	111.7	S192 Y231	S192-G212 PolarHBondContact O-N 3.05Å; G212-Y231 VanDerWaalsContact CA-CD1 3.45Å
213	K	95.4	Very high	93.8	Very high	122 Å²	122	71.3 Å²	71.3	53%	0.53	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.8	175.4	-173.9	176.1	177.4	179.2	0	110.7	N215 I229 T230 Y232	K213-N215 PolarHBondContact O-ND2 2.77Å; K213-I229 WeakPolarHBondContact O-CA 3.4Å; K213-T230 PolarHBondContact N-O 3.47Å; K213-T230 PolarHBondContact O-N 2.89Å; K213-Y232 HydrophobicContact CB-CE2 4.31Å
214	Y	96.1	Very high	94.1	Very high	79 Å²	79	71.5 Å²	71.5	31%	0.31	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.8	170.1	178	-93.6	0	0	0	110.5	R182 D186 L187 T216 A227 I229	R182-Y214 PolarHBondContact NE-OH 3.41Å; D186-Y214 PolarHBondContact OD1-OH 3.32Å; L187-Y214 HydrophobicContact CB-CE2 4.44Å; L187-Y214 WeakPolarHBondContact O-CD2 3.45Å; L187-Y214 WeakPolarHBondContact O-CE2 3.42Å; Y214-T216 HydrophobicContact CE1-CG2 3.63Å; Y214-T216 WeakPolarHBondContact OH-CG2 3.49Å; Y214-A227 HydrophobicContact CE2-CB 4.02Å; Y214-I229 HydrophobicContact CD2-CG1 4.21Å
215	N	95.5	Very high	94.3	Very high	42 Å²	42	72.4 Å²	72.4	23%	0.225	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.9	174.4	-53.7	-69.8	0	0	0	110.6	K213 D228 T230	K213-N215 PolarHBondContact O-ND2 2.77Å; N215-D228 PolarHBondContact N-O 3.39Å; N215-D228 PolarHBondContact ND2-OD2 3.04Å; N215-D228 PolarHBondContact O-N 3.27Å; N215-D228 VanDerWaalsContact O-O 3.07Å; N215-T230 PolarHBondContact ND2-OG1 2.75Å
216	T	95.6	Very high	94.4	Very high	66 Å²	66	73.5 Å²	73.5	41%	0.405	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.7	167.4	54.9	0	0	0	0	108.2	Y214 I225 Y226	Y214-T216 HydrophobicContact CE1-CG2 3.63Å; Y214-T216 WeakPolarHBondContact OH-CG2 3.49Å; T216-I225 HydrophobicContact CG2-CG2 4.48Å; T216-Y226 WeakPolarHBondContact CA-O 3.48Å
217	K	93.8	Very high	94.5	Very high	108 Å²	108	71 Å²	71	47%	0.47	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	136	-178.8	-171.3	173.3	179.9	-178.1	0	110.2	Y219 Y226	K217-Y219 HydrophobicContact CB-CE2 4.45Å; K217-Y219 HydrophobicContact CD-CD1 4.42Å; K217-Y219 HydrophobicContact CD-CE1 3.91Å; K217-Y219 HydrophobicContact CG-CE1 4.48Å; K217-Y226 PolarHBondContact N-O 2.86Å; K217-Y226 PolarHBondContact O-N 2.04Å
218	K	95.4	Very high	94.6	Very high	128 Å²	128	70 Å²	70	56%	0.557	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.1	164.6	-179.3	165.7	174.3	159.7	0	108.5	T223	K218-T223 WeakPolarHBondContact CE-O 3.44Å; K218-T223 PolarHBondContact NZ-O 2.99Å
219	Y	92.9	Very high	94.7	Very high	58 Å²	58	66.2 Å²	66.2	23%	0.227	34%	0.338	C	S	.	.			trans	-94.3	159.2	178.3	-68.9	-80.9	0	0	0	110.6	Y122 K174 K217 C221 C222 Y226	Y122-Y219 WeakPolarHBondContact CE2-OH 3.21Å; K174-Y219 PolarHBondContact NZ-OH 3.43Å; K217-Y219 HydrophobicContact CB-CE2 4.45Å; K217-Y219 HydrophobicContact CD-CD1 4.42Å; K217-Y219 HydrophobicContact CD-CE1 3.91Å; K217-Y219 HydrophobicContact CG-CE1 4.48Å; Y219-C221 VanDerWaalsContact C-N 3.31Å; Y219-C221 PolarHBondContact O-N 2.84Å; Y219-C222 PolarHBondContact O-N 3.39Å; Y219-Y226 AromaticContact CD2-CD2 3.84Å; Y219-Y226 HydrophobicContact CD2-CD2 3.84Å; Y219-Y226 HydrophobicContact CD2-CG 4.1Å; Y219-Y226 HydrophobicContact CE2-CD2 4.43Å; Y219-Y226 HydrophobicContact CE2-CG 4.24Å
220	E	93.2	Very high	94.8	Very high	205 Å²	205	63.1 Å²	63.1	96%	0.958	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-27.4	-178.2	-169.6	169.8	-170.9	0	0	112.9	C222	E220-C222 PolarHBondContact O-N 2.84Å
221	C	90.4	Very high	94.9	Very high	106 Å²	106	63.2 Å²	63.2	72%	0.716	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.9	177	65.6	0	0	0	0	114.1	Y219	Y219-C221 VanDerWaalsContact C-N 3.31Å; Y219-C221 PolarHBondContact O-N 2.84Å
222	C	90.6	Very high	94.9	Very high	33 Å²	33	64.1 Å²	64.1	22%	0.223	32%	0.32	C	S	.	.			trans	-142.6	144.9	-150.7	-51.4	0	0	0	0	110.3	Y219 E220 E224 Y226	Y219-C222 PolarHBondContact O-N 3.39Å; E220-C222 PolarHBondContact O-N 2.84Å; C222-E224 VanDerWaalsContact C-N 3.34Å; C222-Y226 HydrophobicContact CB-CE2 3.8Å
223	T	92.8	Very high	95	Very high	105 Å²	105	63.4 Å²	63.4	64%	0.644	31%	0.312	S	S	*	.	S	Bend	trans	-82.6	-21.1	-176.9	63.9	0	0	0	0	112.8	K218	K218-T223 WeakPolarHBondContact CE-O 3.44Å; K218-T223 PolarHBondContact NZ-O 2.99Å
224	E	94.8	Very high	95	Very high	80 Å²	80	59.4 Å²	59.4	37%	0.374	30%	0.297	S	S	.	.	S	Bend	trans	-83.1	162.5	-174.8	-59.7	83.4	172.8	0	0	112.4	D181 C222 Y226	D181-E224 HydrophobicContact CB-CB 3.91Å; D181-E224 HydrophobicContact CB-CG 4.35Å; C222-E224 VanDerWaalsContact C-N 3.34Å; E224-Y226 HydrophobicContact CB-CE2 4.29Å
225	I	95.9	Very high	95	Very high	81 Å²	81	55.7 Å²	55.7	42%	0.415	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	133.4	176.9	-56	171.8	0	0	0	108.4	R182 T216	R182-I225 VanDerWaalsContact CB-O 3.3Å; R182-I225 WeakPolarHBondContact CB-O 3.26Å; R182-I225 PolarHBondContact N-O 3.36Å; T216-I225 HydrophobicContact CG2-CG2 4.48Å
226	Y	96.3	Very high	94.9	Very high	29 Å²	29	59 Å²	59	11%	0.114	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	142.6	177.6	-69.4	-99.9	0	0	0	109.8	Y180 T216 K217 Y219 C222 E224	Y180-Y226 VanDerWaalsContact O-CD1 3.29Å; Y180-Y226 WeakPolarHBondContact O-CD1 3.44Å; Y180-Y226 WeakPolarHBondContact O-CE1 3.17Å; T216-Y226 WeakPolarHBondContact CA-O 3.48Å; K217-Y226 PolarHBondContact N-O 2.86Å; K217-Y226 PolarHBondContact O-N 2.04Å; Y219-Y226 AromaticContact CD2-CD2 3.84Å; Y219-Y226 HydrophobicContact CD2-CD2 3.84Å; Y219-Y226 HydrophobicContact CD2-CG 4.1Å; Y219-Y226 HydrophobicContact CE2-CD2 4.43Å; Y219-Y226 HydrophobicContact CE2-CG 4.24Å; C222-Y226 HydrophobicContact CB-CE2 3.8Å; E224-Y226 HydrophobicContact CB-CE2 4.29Å
227	A	95.7	Very high	94.8	Very high	6 Å²	6	56 Å²	56	5%	0.05	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.2	176.1	0	0	0	0	0	110.4	R182 Y214	R182-A227 HydrophobicContact CB-CB 4.44Å; R182-A227 HydrophobicContact CG-CB 4.32Å; Y214-A227 HydrophobicContact CE2-CB 4.02Å
228	D	96.6	Very high	94.7	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.011	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.4	176.9	70.1	-111.4	0	0	0	111.6	Y122 K174 F175 N215 T230	Y122-D228 HydrophobicContact CE2-CB 4.32Å; K174-D228 WeakPolarHBondContact CE-OD1 3.03Å; K174-D228 WeakPolarHBondContact CE-OD2 3.34Å; K174-D228 HydrophobicContact CG-CB 4.48Å; K174-D228 IonicContact NZ-OD1 2.95Å; K174-D228 PolarHBondContact NZ-OD1 2.92Å; K174-D228 IonicContact NZ-OD2 3.95Å; F175-D228 CarbonylContact O-C 3.56Å; F175-D228 VanDerWaalsContact O-CA 3.27Å; F175-D228 WeakPolarHBondContact O-CA 3.39Å; F175-D228 WeakPolarHBondContact O-CB 3.03Å; N215-D228 PolarHBondContact N-O 3.39Å; N215-D228 PolarHBondContact ND2-OD2 3.04Å; N215-D228 PolarHBondContact O-N 3.27Å; N215-D228 VanDerWaalsContact O-O 3.07Å; D228-T230 PolarHBondContact OD2-OG1 3.12Å
229	I	96.9	Very high	94.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.4	170.9	-61.1	174.5	0	0	0	107.6	F62 F175 L187 K213 Y214 Y231	F62-I229 HydrophobicContact CB-CD1 4Å; F62-I229 HydrophobicContact CD1-CD1 4.1Å; F62-I229 HydrophobicContact CG-CD1 4.44Å; F175-I229 PolarHBondContact N-O 2.81Å; F175-I229 PolarHBondContact O-N 3.21Å; L187-I229 HydrophobicContact CB-CD1 3.84Å; L187-I229 HydrophobicContact CB-CG1 4.13Å; L187-I229 HydrophobicContact CD1-CG1 4.35Å; K213-I229 WeakPolarHBondContact O-CA 3.4Å; Y214-I229 HydrophobicContact CD2-CG1 4.21Å; I229-Y231 HydrophobicContact CB-CE2 4.42Å; I229-Y231 HydrophobicContact CG2-CD2 3.97Å; I229-Y231 HydrophobicContact CG2-CE2 3.45Å; I229-Y231 VanDerWaalsContact CG2-CE2 3.45Å
230	T	96.9	Very high	94.4	Very high	7 Å²	7	53.4 Å²	53.4	4%	0.043	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.4	176.7	-57.5	0	0	0	0	109.6	K172 M173 K213 N215 D228 Y232	K172-T230 HydrophobicContact CB-CG2 4.01Å; M173-T230 CarbonylContact O-C 3.6Å; M173-T230 WeakPolarHBondContact O-CA 3.05Å; K213-T230 PolarHBondContact N-O 3.47Å; K213-T230 PolarHBondContact O-N 2.89Å; N215-T230 PolarHBondContact ND2-OG1 2.75Å; D228-T230 PolarHBondContact OD2-OG1 3.12Å; T230-Y232 HydrophobicContact CG2-CD2 4.25Å; T230-Y232 HydrophobicContact CG2-CE1 4.32Å; T230-Y232 HydrophobicContact CG2-CE2 3.7Å
231	Y	97.1	Very high	94.3	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.1	172	-72	-87.7	0	0	0	110.2	F62 L64 K172 M173 F175 V194 V211 G212 I229	F62-Y231 HydrophobicContact CD1-CE2 4.06Å; F62-Y231 AromaticContact CE1-CE2 3.75Å; F62-Y231 HydrophobicContact CE1-CE2 3.75Å; L64-Y231 HydrophobicContact CB-CE1 4.44Å; L64-Y231 HydrophobicContact CB-CE2 4.47Å; L64-Y231 HydrophobicContact CD1-CD1 4.24Å; L64-Y231 HydrophobicContact CD1-CD2 3.26Å; L64-Y231 HydrophobicContact CD1-CE1 4.34Å; L64-Y231 HydrophobicContact CD1-CE2 3.42Å; L64-Y231 VanDerWaalsContact CD1-CE2 3.42Å; L64-Y231 HydrophobicContact CD1-CG 3.68Å; L64-Y231 HydrophobicContact CG-CD2 4.1Å; L64-Y231 HydrophobicContact CG-CE2 3.72Å; K172-Y231 CarbonylContact C-O 3.51Å; K172-Y231 WeakPolarHBondContact CA-O 3.45Å; M173-Y231 PolarHBondContact N-O 2.95Å; M173-Y231 PolarHBondContact O-N 3.35Å; F175-Y231 HydrophobicContact CD2-CD2 4.1Å; F175-Y231 HydrophobicContact CE2-CD2 4.48Å; V194-Y231 HydrophobicContact CG2-CD1 3.28Å; V194-Y231 HydrophobicContact CG2-CE1 3.71Å; V194-Y231 HydrophobicContact CG2-CG 4.21Å; V211-Y231 CarbonylContact O-C 3.52Å; V211-Y231 VanDerWaalsContact O-CA 3.3Å; V211-Y231 WeakPolarHBondContact O-CA 3.26Å; G212-Y231 VanDerWaalsContact CA-CD1 3.45Å; I229-Y231 HydrophobicContact CB-CE2 4.42Å; I229-Y231 HydrophobicContact CG2-CD2 3.97Å; I229-Y231 HydrophobicContact CG2-CE2 3.45Å; I229-Y231 VanDerWaalsContact CG2-CE2 3.45Å
232	Y	96.6	Very high	94.3	Very high	72 Å²	72	46.2 Å²	46.2	28%	0.282	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.8	176.6	-66.2	-89.6	0	0	0	109.2	C171 K172 A210 V211 K213 T230	C171-Y232 CarbonylContact O-C 3.54Å; C171-Y232 WeakPolarHBondContact O-CA 3.5Å; K172-Y232 HydrophobicContact CB-CD1 4.01Å; K172-Y232 HydrophobicContact CB-CE1 4.09Å; K172-Y232 HydrophobicContact CD-CE1 4.47Å; A210-Y232 CarbonylContact C-O 3.6Å; A210-Y232 VanDerWaalsContact CA-O 3.26Å; A210-Y232 WeakPolarHBondContact CA-O 3.49Å; V211-Y232 PolarHBondContact N-O 2.87Å; V211-Y232 PolarHBondContact O-N 2.75Å; K213-Y232 HydrophobicContact CB-CE2 4.31Å; T230-Y232 HydrophobicContact CG2-CD2 4.25Å; T230-Y232 HydrophobicContact CG2-CE1 4.32Å; T230-Y232 HydrophobicContact CG2-CE2 3.7Å
233	F	96.4	Very high	94.2	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	-102.1	109.1	174.7	-65.4	-88.7	0	0	0	108.7	I66 M79 C171 M173 V194 A210 I235	I66-F233 HydrophobicContact CD1-CE1 4.08Å; M79-F233 HydrophobicContact CE-CB 3.89Å; M79-F233 HydrophobicContact CE-CD1 4.39Å; M79-F233 HydrophobicContact CE-CD2 4.24Å; M79-F233 HydrophobicContact CE-CG 3.93Å; C171-F233 PolarHBondContact N-O 2.81Å; C171-F233 PolarHBondContact O-N 2.92Å; M173-F233 HydrophobicContact CB-CE2 4.35Å; M173-F233 HydrophobicContact CG-CD2 4.29Å; M173-F233 HydrophobicContact CG-CE2 3.89Å; M173-F233 HydrophobicContact SD-CD2 4.29Å; M173-F233 HydrophobicContact SD-CE2 3.51Å; M173-F233 VanDerWaalsContact SD-CE2 3.51Å; M173-F233 HydrophobicContact SD-CZ 4.14Å; V194-F233 HydrophobicContact CG1-CE1 4.31Å; V194-F233 HydrophobicContact CG2-CE1 4.18Å; V194-F233 HydrophobicContact CG2-CZ 4.13Å; A210-F233 HydrophobicContact CB-CD1 3.91Å; A210-F233 HydrophobicContact CB-CE1 4.08Å; F233-I235 HydrophobicContact CB-CG2 4.37Å
234	I	95.9	Very high	94.1	Very high	39 Å²	39	45.7 Å²	45.7	20%	0.2	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	107.8	172.5	-56.7	-179.7	0	0	0	107	Q168 Q169 I208 N209	Q168-I234 HydrophobicContact CG-CG2 3.92Å; Q169-I234 WeakPolarHBondContact O-CA 3.19Å; I208-I234 HydrophobicContact CB-CG2 4.31Å; I208-I234 HydrophobicContact CD1-CG2 4.37Å; I208-I234 PolarHBondContact N-O 3.16Å; N209-I234 HydrophobicContact CB-CB 4.23Å; N209-I234 HydrophobicContact CB-CD1 4.23Å; N209-I234 PolarHBondContact N-O 2.81Å; N209-I234 PolarHBondContact O-N 2.91Å
235	I	95.3	Very high	93.7	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.6	-175.8	62.8	179	0	0	0	110.6	L69 V72 Q168 Q169 W205 V206 I207 F233	L69-I235 HydrophobicContact CD2-CD1 4.3Å; L69-I235 HydrophobicContact CD2-CG2 4.33Å; V72-I235 HydrophobicContact CG2-CD1 3.81Å; Q168-I235 CarbonylContact C-O 3.57Å; Q168-I235 WeakPolarHBondContact CA-O 3.38Å; Q168-I235 WeakPolarHBondContact CG-O 3.27Å; Q169-I235 HydrophobicContact CB-CD1 4.25Å; Q169-I235 HydrophobicContact CB-CG1 3.78Å; Q169-I235 PolarHBondContact N-O 3.37Å; Q169-I235 PolarHBondContact O-N 3.12Å; W205-I235 HydrophobicContact CD2-CD1 4.26Å; W205-I235 HydrophobicContact CE3-CB 4.23Å; W205-I235 HydrophobicContact CE3-CD1 3.83Å; W205-I235 HydrophobicContact CE3-CG1 3.88Å; W205-I235 HydrophobicContact CZ3-CD1 4.15Å; W205-I235 HydrophobicContact CZ3-CG1 4.09Å; V206-I235 CarbonylContact O-C 3.56Å; V206-I235 VanDerWaalsContact O-CA 3.26Å; V206-I235 WeakPolarHBondContact O-CA 3.26Å; I207-I235 HydrophobicContact CG1-CG2 4.03Å; F233-I235 HydrophobicContact CB-CG2 4.37Å
236	R	94	Very high	93.2	Very high	112 Å²	112	42.5 Å²	42.5	42%	0.423	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140.3	177.2	174.6	-177.3	-59.3	164.4	6.9	110.3	Q168 V206 I208	Q168-R236 VanDerWaalsContact OE1-NH2 3.14Å; V206-R236 HydrophobicContact CG2-CB 3.99Å; V206-R236 WeakPolarHBondContact CG2-O 3.43Å; V206-R236 PolarHBondContact N-O 2.75Å; V206-R236 PolarHBondContact O-N 3.03Å; I208-R236 HydrophobicContact CD1-CB 3.56Å; I208-R236 HydrophobicContact CG1-CB 4.14Å
237	R	93.5	Very high	92.7	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	144	177.1	-167.2	-173.5	-58.2	-95.9	3.3	111.2	E74 D167 E204 W205 P239	E74-R237 IonicContact OE1-CZ 2.94Å; E74-R237 IonicContact OE1-NH1 2.74Å; E74-R237 PolarHBondContact OE1-NH1 3.46Å; E74-R237 IonicContact OE1-NH2 2.84Å; E74-R237 PolarHBondContact OE1-NH2 3.35Å; D167-R237 PolarHBondContact O-N 3.02Å; D167-R237 VanDerWaalsContact OD1-CB 3.27Å; D167-R237 WeakPolarHBondContact OD1-CB 3.5Å; D167-R237 IonicContact OD1-CZ 2.92Å; D167-R237 IonicContact OD1-NE 2.72Å; D167-R237 PolarHBondContact OD1-NE 3.43Å; D167-R237 IonicContact OD2-CZ 3.17Å; D167-R237 IonicContact OD2-NE 2.75Å; D167-R237 IonicContact OD2-NH2 2.68Å; D167-R237 PolarHBondContact OD2-NH2 3.45Å; E204-R237 HydrophobicContact CG-CG 4.34Å; E204-R237 IonicContact OE1-NH1 3.05Å; E204-R237 PolarHBondContact OE1-NH1 3.24Å; W205-R237 HydrophobicContact CE3-CB 4.06Å; W205-R237 HydrophobicContact CH2-CB 4.08Å; W205-R237 HydrophobicContact CH2-CG 4.5Å; W205-R237 VanDerWaalsContact CH2-NH2 3.29Å; W205-R237 HydrophobicContact CZ3-CB 3.79Å; R237-P239 WeakPolarHBondContact O-CD 3.37Å
238	L	92.3	Very high	92.3	Very high	79 Å²	79	45 Å²	45	41%	0.414	22%	0.219	S	C	.	.			trans	-83.9	110	166.5	-67.1	172.6	0	0	0	109.3	G203 E204 V206 L240	G203-L238 WeakPolarHBondContact O-CD1 3.36Å; E204-L238 PolarHBondContact O-N 3.34Å; V206-L238 HydrophobicContact CG1-CD1 4.18Å; V206-L238 HydrophobicContact CG1-CD2 4.17Å; V206-L238 HydrophobicContact CG1-CG 4.19Å; L238-L240 VanDerWaalsContact C-N 3.3Å; L238-L240 PolarHBondContact O-N 3.46Å
239	P	91.6	Very high	92	Very high	38 Å²	38	46.4 Å²	46.4	25%	0.247	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-4.7	-163.4	32.2	-38	0	0	0	114.7	P165 F166 R237 F241 Y242 T243	P165-P239 HydrophobicContact CB-CB 4.35Å; P165-P239 HydrophobicContact CG-CB 4.03Å; F166-P239 HydrophobicContact CD1-CB 3.64Å; F166-P239 HydrophobicContact CD1-CG 3.76Å; F166-P239 HydrophobicContact CE1-CB 3.53Å; F166-P239 HydrophobicContact CE1-CG 3.62Å; F166-P239 HydrophobicContact CG-CB 4.49Å; F166-P239 HydrophobicContact CZ-CB 4.31Å; R237-P239 WeakPolarHBondContact O-CD 3.37Å; P239-F241 PolarHBondContact O-N 2.88Å; P239-Y242 PolarHBondContact O-N 2.86Å; P239-T243 WeakPolarHBondContact O-CB 3.29Å; P239-T243 PolarHBondContact O-N 3.25Å; P239-T243 PolarHBondContact O-OG1 3.31Å
240	L	90.3	Very high	91.3	Very high	121 Å²	121	46.8 Å²	46.8	63%	0.634	23%	0.231	S	C	*	.	H	α-helix	trans	-61.7	-42.9	-164.8	-142.7	166.2	0	0	0	112.3	L238 T243 I244	L238-L240 VanDerWaalsContact C-N 3.3Å; L238-L240 PolarHBondContact O-N 3.46Å; L240-T243 PolarHBondContact O-N 3.37Å; L240-I244 HydrophobicContact CD2-CD1 3.38Å; L240-I244 HydrophobicContact CD2-CG1 4.07Å; L240-I244 PolarHBondContact O-N 2.74Å; L240-I244 VanDerWaalsContact O-N 3.09Å
241	F	90.9	Very high	90.7	Very high	132 Å²	132	48.5 Å²	48.5	58%	0.579	24%	0.24	S	C	*	.	H	α-helix	trans	-60.8	-51	179.2	177.7	-98.2	0	0	0	112.3	P239 I244 N245	P239-F241 PolarHBondContact O-N 2.88Å; F241-I244 PolarHBondContact O-N 3.23Å; F241-N245 VanDerWaalsContact CD2-ND2 3.34Å; F241-N245 WeakPolarHBondContact CD2-ND2 3.44Å; F241-N245 WeakPolarHBondContact CE2-ND2 3.28Å; F241-N245 WeakPolarHBondContact O-CB 3.36Å; F241-N245 PolarHBondContact O-N 3.28Å; F241-N245 PolarHBondContact O-ND2 3.07Å
242	Y	89.9	Confident	90.2	Very high	28 Å²	28	53.6 Å²	53.6	11%	0.11	27%	0.267	C	S	.	.	H	α-helix	trans	-71.2	-31.8	179.8	-62.1	-77.9	0	0	0	112	F164 P165 E204 P239 L246 I247	F164-Y242 HydrophobicContact CE1-CD1 4.02Å; F164-Y242 HydrophobicContact CE1-CG 4.27Å; F164-Y242 AromaticContact CZ-CD1 3.53Å; F164-Y242 HydrophobicContact CZ-CD1 3.53Å; F164-Y242 HydrophobicContact CZ-CD2 4.36Å; F164-Y242 AromaticContact CZ-CE1 3.7Å; F164-Y242 HydrophobicContact CZ-CE1 3.7Å; F164-Y242 AromaticContact CZ-CG 3.88Å; F164-Y242 HydrophobicContact CZ-CG 3.88Å; P165-Y242 HydrophobicContact CB-CD2 4.02Å; P165-Y242 HydrophobicContact CB-CG 4.03Å; E204-Y242 WeakPolarHBondContact OE1-CE2 3.45Å; E204-Y242 PolarHBondContact OE1-OH 3.29Å; P239-Y242 PolarHBondContact O-N 2.86Å; Y242-L246 HydrophobicContact CD1-CD1 4.48Å; Y242-L246 WeakPolarHBondContact O-CA 3.29Å; Y242-L246 WeakPolarHBondContact O-CB 3.42Å; Y242-L246 PolarHBondContact O-N 3.02Å; Y242-I247 PolarHBondContact O-N 3.42Å; Y242-I247 VanDerWaalsContact O-N 3.1Å
243	T	88.8	Confident	89.6	Confident	39 Å²	39	51 Å²	51	24%	0.239	26%	0.258	C	S	.	.	I	π-helix	trans	-62	-47.5	175.3	-57.6	0	0	0	0	111.1	P239 L240 I247 I248	P239-T243 WeakPolarHBondContact O-CB 3.29Å; P239-T243 PolarHBondContact O-N 3.25Å; P239-T243 PolarHBondContact O-OG1 3.31Å; L240-T243 PolarHBondContact O-N 3.37Å; T243-I247 WeakPolarHBondContact O-CB 3.38Å; T243-I247 PolarHBondContact O-N 2.86Å; T243-I248 WeakPolarHBondContact O-CG1 3.39Å; T243-I248 PolarHBondContact O-N 2.99Å
244	I	90.6	Very high	88.9	Confident	89 Å²	89	51.2 Å²	51.2	46%	0.456	26%	0.259	S	S	.	.	I	π-helix	trans	-72	-44.4	-179	-66.8	177.1	0	0	0	112.1	L240 F241 I248 P249	L240-I244 HydrophobicContact CD2-CD1 3.38Å; L240-I244 HydrophobicContact CD2-CG1 4.07Å; L240-I244 PolarHBondContact O-N 2.74Å; L240-I244 VanDerWaalsContact O-N 3.09Å; F241-I244 PolarHBondContact O-N 3.23Å; I244-I248 HydrophobicContact CG1-CD1 4.42Å; I244-P249 VanDerWaalsContact O-CD 3.28Å; I244-P249 WeakPolarHBondContact O-CD 3.46Å
245	N	86.8	Confident	88.3	Confident	85 Å²	85	53.3 Å²	53.3	46%	0.455	28%	0.276	S	S	.	.	I	π-helix	trans	-90.8	-20.1	-168.9	-66	-38.1	0	0	0	114.2	F241	F241-N245 VanDerWaalsContact CD2-ND2 3.34Å; F241-N245 WeakPolarHBondContact CD2-ND2 3.44Å; F241-N245 WeakPolarHBondContact CE2-ND2 3.28Å; F241-N245 WeakPolarHBondContact O-CB 3.36Å; F241-N245 PolarHBondContact O-N 3.28Å; F241-N245 PolarHBondContact O-ND2 3.07Å
246	L	85.5	Confident	87.9	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.042	29%	0.294	C	S	.	.	I	π-helix	trans	-119.3	-53.5	-175.4	-170.5	169.7	0	0	0	111.1	F164 Y242 C250 I288 I302	F164-L246 HydrophobicContact CE1-CD1 3.99Å; Y242-L246 HydrophobicContact CD1-CD1 4.48Å; Y242-L246 WeakPolarHBondContact O-CA 3.29Å; Y242-L246 WeakPolarHBondContact O-CB 3.42Å; Y242-L246 PolarHBondContact O-N 3.02Å; L246-C250 WeakPolarHBondContact O-CB 3.3Å; L246-C250 PolarHBondContact O-N 2.9Å; L246-I288 HydrophobicContact CD1-CD1 4.06Å; L246-I288 HydrophobicContact CD1-CG1 3.73Å; L246-I288 HydrophobicContact CD2-CD1 3.67Å; L246-I288 HydrophobicContact CD2-CG1 4.29Å; L246-I288 HydrophobicContact CG-CD1 3.88Å; L246-I288 HydrophobicContact CG-CG1 4.04Å; L246-I302 HydrophobicContact CD2-CD1 4.08Å; L246-I302 HydrophobicContact CD2-CG1 3.79Å
247	I	85.8	Confident	87.3	Confident	8 Å²	8	51.7 Å²	51.7	4%	0.041	28%	0.276	C	S	.	.	I	π-helix	trans	-70.3	-50.4	-174.5	-57.2	-179.5	0	0	0	111.6	P165 F166 Y242 T243 C250 L251 F632	P165-I247 HydrophobicContact CG-CD1 4.03Å; F166-I247 HydrophobicContact CE2-CD1 4.04Å; F166-I247 HydrophobicContact CZ-CD1 4.43Å; Y242-I247 PolarHBondContact O-N 3.42Å; Y242-I247 VanDerWaalsContact O-N 3.1Å; T243-I247 WeakPolarHBondContact O-CB 3.38Å; T243-I247 PolarHBondContact O-N 2.86Å; I247-C250 WeakPolarHBondContact O-CB 3.34Å; I247-C250 PolarHBondContact O-N 3.27Å; I247-L251 HydrophobicContact CG2-CD1 3.98Å; I247-L251 HydrophobicContact CG2-CG 4.27Å; I247-L251 WeakPolarHBondContact O-CG 3.24Å; I247-L251 PolarHBondContact O-N 3.18Å; I247-F632 HydrophobicContact CG2-CE1 4.37Å; I247-F632 HydrophobicContact CG2-CZ 3.76Å
248	I	87.7	Confident	87	Confident	79 Å²	79	52.5 Å²	52.5	41%	0.405	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-49.9	-177.3	-69.1	176	0	0	0	112.3	T243 I244 C250 L251 L252	T243-I248 WeakPolarHBondContact O-CG1 3.39Å; T243-I248 PolarHBondContact O-N 2.99Å; I244-I248 HydrophobicContact CG1-CD1 4.42Å; I248-C250 VanDerWaalsContact C-N 3.32Å; I248-C250 PolarHBondContact O-N 2.68Å; I248-L251 PolarHBondContact O-N 2.8Å; I248-L252 HydrophobicContact CG2-CD1 3.89Å; I248-L252 HydrophobicContact CG2-CG 4.32Å; I248-L252 WeakPolarHBondContact O-CG 3.38Å; I248-L252 PolarHBondContact O-N 3.03Å
249	P	88.6	Confident	86.7	Confident	32 Å²	32	53.1 Å²	53.1	21%	0.208	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-39.8	176.9	-26.4	36.6	0	0	0	112.9	I244 L252 I253 F284	I244-P249 VanDerWaalsContact O-CD 3.28Å; I244-P249 WeakPolarHBondContact O-CD 3.46Å; P249-L252 PolarHBondContact O-N 2.94Å; P249-I253 WeakPolarHBondContact O-CB 3.01Å; P249-I253 WeakPolarHBondContact O-CD1 3.42Å; P249-I253 WeakPolarHBondContact O-CG1 3.44Å; P249-I253 PolarHBondContact O-N 3.47Å; P249-F284 HydrophobicContact CB-CE1 4.02Å; P249-F284 HydrophobicContact CB-CE2 4.44Å; P249-F284 HydrophobicContact CB-CZ 3.7Å
250	C	83.3	Confident	86.5	Confident	9 Å²	9	51.4 Å²	51.4	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-45.6	177.1	-178.8	0	0	0	0	112	L246 I247 I248 I253 S254 Y305 L306	L246-C250 WeakPolarHBondContact O-CB 3.3Å; L246-C250 PolarHBondContact O-N 2.9Å; I247-C250 WeakPolarHBondContact O-CB 3.34Å; I247-C250 PolarHBondContact O-N 3.27Å; I248-C250 VanDerWaalsContact C-N 3.32Å; I248-C250 PolarHBondContact O-N 2.68Å; C250-I253 PolarHBondContact O-N 2.75Å; C250-S254 WeakPolarHBondContact O-CB 3.39Å; C250-S254 PolarHBondContact O-N 3.4Å; C250-Y305 VanDerWaalsContact SG-CE1 3.55Å; C250-L306 WeakPolarHBondContact SG-CD2 3.5Å
251	L	84.1	Confident	86.4	Confident	43 Å²	43	45.7 Å²	45.7	23%	0.225	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-44.2	174.4	-68.3	176.7	0	0	0	111.8	I247 I248 I253 S254 C255 F632	I247-L251 HydrophobicContact CG2-CD1 3.98Å; I247-L251 HydrophobicContact CG2-CG 4.27Å; I247-L251 WeakPolarHBondContact O-CG 3.24Å; I247-L251 PolarHBondContact O-N 3.18Å; I248-L251 PolarHBondContact O-N 2.8Å; L251-I253 PolarHBondContact O-N 3.49Å; L251-S254 PolarHBondContact O-N 2.92Å; L251-S254 PolarHBondContact O-OG 2.92Å; L251-C255 PolarHBondContact O-N 2.72Å; L251-C255 PolarHBondContact O-SG 3.45Å; L251-C255 VanDerWaalsContact O-SG 3.37Å; L251-F632 HydrophobicContact CD1-CE2 3.86Å; L251-F632 HydrophobicContact CD1-CZ 3.89Å; L251-F632 HydrophobicContact CD2-CE2 4.21Å
252	L	86.9	Confident	86.2	Confident	108 Å²	108	46 Å²	46	57%	0.565	24%	0.241	S	C	*	.	H	α-helix	trans	-60.8	-44	177.6	-72	173	0	0	0	112	I248 P249 S254 C255 L256	I248-L252 HydrophobicContact CG2-CD1 3.89Å; I248-L252 HydrophobicContact CG2-CG 4.32Å; I248-L252 WeakPolarHBondContact O-CG 3.38Å; I248-L252 PolarHBondContact O-N 3.03Å; P249-L252 PolarHBondContact O-N 2.94Å; L252-S254 VanDerWaalsContact C-N 3.34Å; L252-S254 PolarHBondContact O-N 2.94Å; L252-C255 WeakPolarHBondContact O-CB 3.44Å; L252-C255 PolarHBondContact O-N 3.47Å; L252-L256 WeakPolarHBondContact O-CG 3.47Å; L252-L256 PolarHBondContact O-N 3.46Å; L252-L256 VanDerWaalsContact O-N 3.07Å
253	I	84.3	Confident	86.1	Confident	19 Å²	19	47.2 Å²	47.2	10%	0.097	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-42.1	176.8	-68.3	163	0	0	0	110.4	P249 C250 L251 C255 L256 T257 V277 S280 F284	P249-I253 WeakPolarHBondContact O-CB 3.01Å; P249-I253 WeakPolarHBondContact O-CD1 3.42Å; P249-I253 WeakPolarHBondContact O-CG1 3.44Å; P249-I253 PolarHBondContact O-N 3.47Å; C250-I253 PolarHBondContact O-N 2.75Å; L251-I253 PolarHBondContact O-N 3.49Å; I253-C255 VanDerWaalsContact C-N 3.29Å; I253-C255 PolarHBondContact O-N 3.35Å; I253-L256 WeakPolarHBondContact O-CB 3.47Å; I253-L256 PolarHBondContact O-N 3.09Å; I253-L256 VanDerWaalsContact O-N 3.07Å; I253-T257 WeakPolarHBondContact O-CG2 3.47Å; I253-T257 PolarHBondContact O-N 2.99Å; I253-V277 HydrophobicContact CG2-CG1 3.98Å; I253-S280 WeakPolarHBondContact CD1-OG 3.41Å; I253-F284 HydrophobicContact CD1-CD2 3.49Å; I253-F284 VanDerWaalsContact CD1-CD2 3.49Å; I253-F284 HydrophobicContact CD1-CE2 3.3Å; I253-F284 HydrophobicContact CD1-CZ 4.27Å
254	S	81.6	Confident	86	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-38.4	175.2	77.8	0	0	0	0	112.2	C250 L251 L252 L256 T257 Y305	C250-S254 WeakPolarHBondContact O-CB 3.39Å; C250-S254 PolarHBondContact O-N 3.4Å; L251-S254 PolarHBondContact O-N 2.92Å; L251-S254 PolarHBondContact O-OG 2.92Å; L252-S254 VanDerWaalsContact C-N 3.34Å; L252-S254 PolarHBondContact O-N 2.94Å; S254-L256 PolarHBondContact O-N 3.26Å; S254-T257 WeakPolarHBondContact O-CB 3.34Å; S254-T257 WeakPolarHBondContact O-CG2 3.44Å; S254-T257 PolarHBondContact O-N 3.04Å; S254-T257 PolarHBondContact O-OG1 2.98Å; S254-Y305 VanDerWaalsContact CB-OH 3.27Å; S254-Y305 WeakPolarHBondContact CB-OH 3.39Å; S254-Y305 PolarHBondContact OG-OH 3.21Å; S254-Y305 VanDerWaalsContact OG-OH 3.08Å
255	C	83.8	Confident	85.6	Confident	83 Å²	83	44.5 Å²	44.5	56%	0.561	24%	0.239	S	C	*	.	H	α-helix	trans	-65.3	-36.1	173.7	-68.8	0	0	0	0	112.8	L251 L252 I253 T257 V258 L259	L251-C255 PolarHBondContact O-N 2.72Å; L251-C255 PolarHBondContact O-SG 3.45Å; L251-C255 VanDerWaalsContact O-SG 3.37Å; L252-C255 WeakPolarHBondContact O-CB 3.44Å; L252-C255 PolarHBondContact O-N 3.47Å; I253-C255 VanDerWaalsContact C-N 3.29Å; I253-C255 PolarHBondContact O-N 3.35Å; C255-T257 PolarHBondContact O-N 2.79Å; C255-V258 PolarHBondContact O-N 3.32Å; C255-L259 PolarHBondContact O-N 3.06Å
256	L	85.9	Confident	85.4	Confident	72 Å²	72	46.8 Å²	46.8	38%	0.377	25%	0.246	S	C	.	.	H	α-helix	trans	-63.8	-28.9	176.3	-67.2	174.8	0	0	0	112.5	L252 I253 S254 V258 L259 V260 V277	L252-L256 WeakPolarHBondContact O-CG 3.47Å; L252-L256 PolarHBondContact O-N 3.46Å; L252-L256 VanDerWaalsContact O-N 3.07Å; I253-L256 WeakPolarHBondContact O-CB 3.47Å; I253-L256 PolarHBondContact O-N 3.09Å; I253-L256 VanDerWaalsContact O-N 3.07Å; S254-L256 PolarHBondContact O-N 3.26Å; L256-V258 VanDerWaalsContact C-N 3.26Å; L256-V258 PolarHBondContact O-N 3.48Å; L256-L259 HydrophobicContact CD2-CD2 4.09Å; L256-L259 WeakPolarHBondContact O-CB 3.43Å; L256-L259 PolarHBondContact O-N 2.91Å; L256-V260 PolarHBondContact O-N 3.37Å; L256-V277 HydrophobicContact CB-CG2 4.11Å
257	T	81.9	Confident	85.2	Confident	6 Å²	6	49.6 Å²	49.6	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-36.3	177	74.5	0	0	0	0	112.3	I253 S254 C255 V260 V277 V313	I253-T257 WeakPolarHBondContact O-CG2 3.47Å; I253-T257 PolarHBondContact O-N 2.99Å; S254-T257 WeakPolarHBondContact O-CB 3.34Å; S254-T257 WeakPolarHBondContact O-CG2 3.44Å; S254-T257 PolarHBondContact O-N 3.04Å; S254-T257 PolarHBondContact O-OG1 2.98Å; C255-T257 PolarHBondContact O-N 2.79Å; T257-V260 WeakPolarHBondContact O-CB 3.28Å; T257-V277 HydrophobicContact CG2-CG1 3.74Å; T257-V313 HydrophobicContact CG2-CG2 3.29Å
258	V	86.2	Confident	85.1	Confident	22 Å²	22	51.7 Å²	51.7	13%	0.133	29%	0.289	C	S	.	.	H	α-helix	trans	-74.4	-38.1	178.2	177.2	0	0	0	0	110.8	C255 L256 V260 F261 L617 F620 V621 C624	C255-V258 PolarHBondContact O-N 3.32Å; L256-V258 VanDerWaalsContact C-N 3.26Å; L256-V258 PolarHBondContact O-N 3.48Å; V258-V260 PolarHBondContact O-N 3.03Å; V258-F261 PolarHBondContact O-N 2.86Å; V258-F261 VanDerWaalsContact O-N 3.1Å; V258-L617 HydrophobicContact CG1-CG 4.35Å; V258-F620 HydrophobicContact CG2-CB 4.37Å; V258-V621 HydrophobicContact CG1-CG2 3.41Å; V258-V621 VanDerWaalsContact CG1-CG2 3.41Å; V258-C624 HydrophobicContact CG2-CB 4.38Å; V258-C624 VanDerWaalsContact CG2-SG 3.58Å
259	L	86.8	Confident	85	Confident	92 Å²	92	53.2 Å²	53.2	48%	0.482	30%	0.295	S	S	.	.	H	α-helix	trans	-59.6	-29	-178.4	-171.7	65.3	0	0	0	112.5	C255 L256 F261 Y262 L263	C255-L259 PolarHBondContact O-N 3.06Å; L256-L259 HydrophobicContact CD2-CD2 4.09Å; L256-L259 WeakPolarHBondContact O-CB 3.43Å; L256-L259 PolarHBondContact O-N 2.91Å; L259-F261 VanDerWaalsContact C-N 3.26Å; L259-F261 PolarHBondContact O-N 3.07Å; L259-Y262 WeakPolarHBondContact O-CB 3.29Å; L259-Y262 PolarHBondContact O-N 3.47Å; L259-L263 PolarHBondContact O-N 3.21Å
260	V	87.5	Confident	84.9	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-41.8	174	169.3	0	0	0	0	112.6	L256 T257 V258 Y262 L263 K270 L273 C274 T320	L256-V260 PolarHBondContact O-N 3.37Å; T257-V260 WeakPolarHBondContact O-CB 3.28Å; V258-V260 PolarHBondContact O-N 3.03Å; V260-Y262 PolarHBondContact O-N 2.97Å; V260-L263 PolarHBondContact O-N 2.94Å; V260-K270 HydrophobicContact CG1-CG 3.97Å; V260-K270 WeakPolarHBondContact O-CE 3.44Å; V260-L273 HydrophobicContact CB-CD2 4.5Å; V260-L273 HydrophobicContact CG2-CB 4.49Å; V260-L273 HydrophobicContact CG2-CD2 3.66Å; V260-L273 HydrophobicContact CG2-CG 3.84Å; V260-C274 WeakPolarHBondContact CG1-SG 3.44Å; V260-T320 HydrophobicContact CG1-CG2 3.55Å
261	F	87.1	Confident	85.1	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.009	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-12.9	-178.8	-65.4	-70.6	0	0	0	113.1	V258 L259 I319 T320 F616 L617 F620	V258-F261 PolarHBondContact O-N 2.86Å; V258-F261 VanDerWaalsContact O-N 3.1Å; L259-F261 VanDerWaalsContact C-N 3.26Å; L259-F261 PolarHBondContact O-N 3.07Å; F261-I319 HydrophobicContact CE1-CB 4.45Å; F261-I319 HydrophobicContact CE1-CG2 3.94Å; F261-I319 HydrophobicContact CZ-CG2 4.49Å; F261-T320 HydrophobicContact CD1-CG2 4.3Å; F261-T320 HydrophobicContact CE1-CG2 3.82Å; F261-T320 HydrophobicContact CZ-CG2 4.36Å; F261-F616 HydrophobicContact CD1-CB 4.08Å; F261-F616 HydrophobicContact CE1-CB 3.95Å; F261-F616 HydrophobicContact CZ-CB 4.28Å; F261-L617 HydrophobicContact CB-CB 3.85Å; F261-L617 HydrophobicContact CB-CD1 4.39Å; F261-L617 HydrophobicContact CB-CG 4.43Å; F261-F620 HydrophobicContact CD2-CD2 4.17Å; F261-F620 HydrophobicContact CD2-CG 4.4Å; F261-F620 HydrophobicContact CE2-CB 4.36Å; F261-F620 HydrophobicContact CE2-CD1 4.25Å; F261-F620 AromaticContact CE2-CD2 3.39Å; F261-F620 HydrophobicContact CE2-CD2 3.39Å; F261-F620 HydrophobicContact CE2-CE1 4.41Å; F261-F620 AromaticContact CE2-CE2 3.62Å; F261-F620 HydrophobicContact CE2-CE2 3.62Å; F261-F620 AromaticContact CE2-CG 3.75Å; F261-F620 HydrophobicContact CE2-CG 3.75Å; F261-F620 HydrophobicContact CE2-CZ 4.14Å; F261-F620 AromaticContact CZ-CD2 3.77Å; F261-F620 HydrophobicContact CZ-CD2 3.77Å; F261-F620 AromaticContact CZ-CE2 3.55Å; F261-F620 HydrophobicContact CZ-CE2 3.55Å; F261-F620 HydrophobicContact CZ-CZ 4.12Å
262	Y	87.2	Confident	85.3	Confident	138 Å²	138	56.1 Å²	56.1	54%	0.541	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-25	173.9	-168.3	-94.3	0	0	0	112.1	L259 V260 L617	L259-Y262 WeakPolarHBondContact O-CB 3.29Å; L259-Y262 PolarHBondContact O-N 3.47Å; V260-Y262 PolarHBondContact O-N 2.97Å; Y262-L617 HydrophobicContact CD2-CD1 3.98Å; Y262-L617 HydrophobicContact CG-CD1 4.48Å
263	L	87.3	Confident	85.3	Confident	53 Å²	53	53.5 Å²	53.5	28%	0.277	30%	0.296	S	S	.	.	S	Bend	trans	-72.1	129.7	-176.5	-166.8	74.7	0	0	0	111.3	L259 V260 K270	L259-L263 PolarHBondContact O-N 3.21Å; V260-L263 PolarHBondContact O-N 2.94Å; L263-K270 HydrophobicContact CD2-CB 4.39Å
264	P	86.4	Confident	85.3	Confident	66 Å²	66	52.7 Å²	52.7	43%	0.429	29%	0.293	S	S	.	.			trans	-66.1	137.2	177.5	27.5	-34	0	0	0	111.2	Q266 C267	P264-Q266 PolarHBondContact O-N 2.88Å; P264-Q266 VanDerWaalsContact O-N 3.07Å; P264-C267 PolarHBondContact O-N 2.89Å
265	S	83.7	Confident	85.6	Confident	6 Å²	6	56.7 Å²	56.7	4%	0.042	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-62.9	-12.9	178.1	48.4	0	0	0	0	114.6	C267 H327	S265-C267 VanDerWaalsContact C-N 3.28Å; S265-C267 PolarHBondContact O-N 3.33Å; S265-H327 PolarHBondContact OG-CD2 3.02Å; S265-H327 PolarHBondContact OG-CE1 3.31Å; S265-H327 PolarHBondContact OG-NE2 3.47Å; S265-H327 VanDerWaalsContact OG-NE2 3.08Å
266	Q	81.1	Confident	85.9	Confident	132 Å²	132	55.9 Å²	55.9	62%	0.617	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-70.7	-23.9	178.9	-61.7	178.6	5.3	0	0	112.9	P264 G268	P264-Q266 PolarHBondContact O-N 2.88Å; P264-Q266 VanDerWaalsContact O-N 3.07Å; Q266-G268 PolarHBondContact O-N 2.85Å
267	C	82.2	Confident	86	Confident	68 Å²	68	52.9 Å²	52.9	46%	0.459	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-78.1	-13.3	-176.5	-70.9	0	0	0	0	114.3	P264 S265 E269	P264-C267 PolarHBondContact O-N 2.89Å; S265-C267 VanDerWaalsContact C-N 3.28Å; S265-C267 PolarHBondContact O-N 3.33Å; C267-E269 PolarHBondContact O-N 3.08Å
268	G	82.8	Confident	86.1	Confident	51 Å²	51	54.8 Å²	54.8	53%	0.526	30%	0.302	S	S	.	.	S	Bend	trans	70.6	-22.3	-178.3	0	0	0	0	0	115.9	Q266 K270	Q266-G268 PolarHBondContact O-N 2.85Å; G268-K270 VanDerWaalsContact C-N 3.26Å; G268-K270 PolarHBondContact O-N 3.08Å
269	E	86.6	Confident	86.3	Confident	112 Å²	112	58.8 Å²	58.8	52%	0.523	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	0.9	-175.3	-67.8	-55.9	148	0	0	115.8	C267 I271 T272 L273	C267-E269 PolarHBondContact O-N 3.08Å; E269-I271 VanDerWaalsContact C-N 3.33Å; E269-I271 PolarHBondContact O-N 3.2Å; E269-T272 PolarHBondContact O-N 3.47Å; E269-T272 VanDerWaalsContact OE2-CB 3.31Å; E269-T272 WeakPolarHBondContact OE2-CB 3.4Å; E269-T272 PolarHBondContact OE2-OG1 3.37Å; E269-L273 PolarHBondContact O-N 2.96Å; E269-L273 VanDerWaalsContact O-N 3.14Å
270	K	87.1	Confident	86.4	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-40.2	-176.5	-168.3	174.7	-176.6	-177.5	0	112.2	V260 L263 G268 C274 T320 D613	V260-K270 HydrophobicContact CG1-CG 3.97Å; V260-K270 WeakPolarHBondContact O-CE 3.44Å; L263-K270 HydrophobicContact CD2-CB 4.39Å; G268-K270 VanDerWaalsContact C-N 3.26Å; G268-K270 PolarHBondContact O-N 3.08Å; K270-C274 PolarHBondContact O-N 2.65Å; K270-C274 PolarHBondContact O-SG 2.96Å; K270-T320 HydrophobicContact CD-CG2 4.41Å; K270-T320 HydrophobicContact CG-CG2 4.48Å; K270-D613 IonicContact NZ-OD1 3.72Å; K270-D613 PolarHBondContact NZ-OD1 3.15Å; K270-D613 IonicContact NZ-OD2 2.64Å; K270-D613 PolarHBondContact NZ-OD2 3.44Å
271	I	85.8	Confident	86.2	Confident	73 Å²	73	56.6 Å²	56.6	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-71.3	-43	179.8	-59.4	178.9	0	0	0	110.6	E269 L273 C274 I275 L324	E269-I271 VanDerWaalsContact C-N 3.33Å; E269-I271 PolarHBondContact O-N 3.2Å; I271-L273 VanDerWaalsContact C-N 3.34Å; I271-L273 PolarHBondContact O-N 2.7Å; I271-C274 WeakPolarHBondContact O-CB 3.27Å; I271-C274 PolarHBondContact O-N 3Å; I271-C274 VanDerWaalsContact O-N 3.13Å; I271-I275 HydrophobicContact CG2-CD1 3.72Å; I271-I275 HydrophobicContact CG2-CG1 4.23Å; I271-I275 WeakPolarHBondContact O-CG1 3.46Å; I271-I275 PolarHBondContact O-N 3.3Å; I271-L324 HydrophobicContact CD1-CD1 3.6Å; I271-L324 HydrophobicContact CG1-CD1 3.43Å; I271-L324 VanDerWaalsContact CG1-CD1 3.43Å
272	T	88.6	Confident	86.2	Confident	71 Å²	71	58.7 Å²	58.7	44%	0.436	33%	0.327	S	S	.	.	H	α-helix	trans	-54.5	-50.6	178	-45.6	0	0	0	0	110.8	E269 C274 I275 S276	E269-T272 PolarHBondContact O-N 3.47Å; E269-T272 VanDerWaalsContact OE2-CB 3.31Å; E269-T272 WeakPolarHBondContact OE2-CB 3.4Å; E269-T272 PolarHBondContact OE2-OG1 3.37Å; T272-C274 VanDerWaalsContact C-N 3.32Å; T272-C274 PolarHBondContact O-N 3.23Å; T272-I275 PolarHBondContact O-N 3.26Å; T272-S276 PolarHBondContact O-N 3.38Å; T272-S276 PolarHBondContact O-OG 3.1Å
273	L	87.1	Confident	86.4	Confident	52 Å²	52	56.6 Å²	56.6	27%	0.272	33%	0.329	S	S	.	.	H	α-helix	trans	-58.6	-42.3	178.1	-177.7	63.1	0	0	0	112	V260 E269 I271 V277	V260-L273 HydrophobicContact CB-CD2 4.5Å; V260-L273 HydrophobicContact CG2-CB 4.49Å; V260-L273 HydrophobicContact CG2-CD2 3.66Å; V260-L273 HydrophobicContact CG2-CG 3.84Å; E269-L273 PolarHBondContact O-N 2.96Å; E269-L273 VanDerWaalsContact O-N 3.14Å; I271-L273 VanDerWaalsContact C-N 3.34Å; I271-L273 PolarHBondContact O-N 2.7Å; L273-V277 HydrophobicContact CD1-CG2 4.42Å; L273-V277 WeakPolarHBondContact O-CB 3.43Å; L273-V277 VanDerWaalsContact O-CG2 3.24Å; L273-V277 WeakPolarHBondContact O-CG2 3.41Å; L273-V277 PolarHBondContact O-N 3.28Å; L273-V277 VanDerWaalsContact O-N 3.1Å
274	C	84.7	Confident	86.2	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.02	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-44.7	179.1	-61	0	0	0	0	112.8	V260 K270 I271 T272 V277 L278 I317	V260-C274 WeakPolarHBondContact CG1-SG 3.44Å; K270-C274 PolarHBondContact O-N 2.65Å; K270-C274 PolarHBondContact O-SG 2.96Å; I271-C274 WeakPolarHBondContact O-CB 3.27Å; I271-C274 PolarHBondContact O-N 3Å; I271-C274 VanDerWaalsContact O-N 3.13Å; T272-C274 VanDerWaalsContact C-N 3.32Å; T272-C274 PolarHBondContact O-N 3.23Å; C274-V277 PolarHBondContact O-N 3.29Å; C274-L278 PolarHBondContact O-N 3.45Å; C274-I317 HydrophobicContact CB-CD1 4.38Å; C274-I317 HydrophobicContact CB-CG1 3.66Å
275	I	87.8	Confident	86	Confident	86 Å²	86	54.9 Å²	54.9	44%	0.441	31%	0.314	S	S	.	.	H	α-helix	trans	-65.7	-44.2	-179.4	-66.7	174	0	0	0	110.3	I271 T272 V277 L278 L279	I271-I275 HydrophobicContact CG2-CD1 3.72Å; I271-I275 HydrophobicContact CG2-CG1 4.23Å; I271-I275 WeakPolarHBondContact O-CG1 3.46Å; I271-I275 PolarHBondContact O-N 3.3Å; T272-I275 PolarHBondContact O-N 3.26Å; I275-V277 VanDerWaalsContact C-N 3.3Å; I275-V277 PolarHBondContact O-N 2.93Å; I275-L278 PolarHBondContact O-N 2.99Å; I275-L279 HydrophobicContact CG2-CD1 3.92Å; I275-L279 HydrophobicContact CG2-CG 4.47Å; I275-L279 PolarHBondContact O-N 3.16Å
276	S	90.1	Very high	86.1	Confident	67 Å²	67	59.6 Å²	59.6	47%	0.469	34%	0.338	S	S	.	.	H	α-helix	trans	-59.5	-40.9	176.9	-63	0	0	0	0	112.3	T272 S280	T272-S276 PolarHBondContact O-N 3.38Å; T272-S276 PolarHBondContact O-OG 3.1Å; S276-S280 WeakPolarHBondContact O-CB 3.46Å; S276-S280 PolarHBondContact O-N 3.34Å
277	V	87.4	Confident	86.4	Confident	9 Å²	9	57.1 Å²	57.1	6%	0.055	33%	0.329	C	S	.	.	H	α-helix	trans	-66.5	-43.2	177.1	168.4	0	0	0	0	111.8	I253 L256 T257 L273 C274 I275 S280 L281 V313	I253-V277 HydrophobicContact CG2-CG1 3.98Å; L256-V277 HydrophobicContact CB-CG2 4.11Å; T257-V277 HydrophobicContact CG2-CG1 3.74Å; L273-V277 HydrophobicContact CD1-CG2 4.42Å; L273-V277 WeakPolarHBondContact O-CB 3.43Å; L273-V277 VanDerWaalsContact O-CG2 3.24Å; L273-V277 WeakPolarHBondContact O-CG2 3.41Å; L273-V277 PolarHBondContact O-N 3.28Å; L273-V277 VanDerWaalsContact O-N 3.1Å; C274-V277 PolarHBondContact O-N 3.29Å; I275-V277 VanDerWaalsContact C-N 3.3Å; I275-V277 PolarHBondContact O-N 2.93Å; V277-S280 PolarHBondContact O-N 3.32Å; V277-L281 WeakPolarHBondContact O-CB 3.21Å; V277-L281 PolarHBondContact O-N 2.84Å; V277-V313 HydrophobicContact CG1-CG1 4.41Å; V277-V313 HydrophobicContact CG1-CG2 4.43Å
278	L	85.8	Confident	86.4	Confident	45 Å²	45	54.2 Å²	54.2	24%	0.236	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-46.2	177.1	179.5	67.9	0	0	0	112.2	C274 I275 L281 T282 V313 T314 I317	C274-L278 PolarHBondContact O-N 3.45Å; I275-L278 PolarHBondContact O-N 2.99Å; L278-L281 PolarHBondContact O-N 3.5Å; L278-T282 PolarHBondContact O-N 3.45Å; L278-T282 PolarHBondContact O-OG1 2.77Å; L278-V313 HydrophobicContact CB-CG1 4.01Å; L278-V313 HydrophobicContact CD1-CG1 3.94Å; L278-T314 HydrophobicContact CD1-CG2 3.93Å; L278-I317 HydrophobicContact CB-CD1 4.03Å; L278-I317 HydrophobicContact CD2-CD1 3.78Å; L278-I317 HydrophobicContact CG-CD1 4.35Å
279	L	90.1	Very high	86.3	Confident	107 Å²	107	55.9 Å²	55.9	56%	0.56	31%	0.309	S	S	*	.	H	α-helix	trans	-62.1	-45.5	177.8	-76.5	167.9	0	0	0	111.4	I275 L281 T282 V283	I275-L279 HydrophobicContact CG2-CD1 3.92Å; I275-L279 HydrophobicContact CG2-CG 4.47Å; I275-L279 PolarHBondContact O-N 3.16Å; L279-L281 PolarHBondContact O-N 3.33Å; L279-T282 PolarHBondContact O-N 2.87Å; L279-V283 WeakPolarHBondContact O-CG2 3.45Å; L279-V283 PolarHBondContact O-N 3.48Å
280	S	88.9	Confident	86.2	Confident	41 Å²	41	56.8 Å²	56.8	29%	0.287	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-46.4	177.6	-177.2	0	0	0	0	111.5	I253 S276 V277 T282 V283 F284	I253-S280 WeakPolarHBondContact CD1-OG 3.41Å; S276-S280 WeakPolarHBondContact O-CB 3.46Å; S276-S280 PolarHBondContact O-N 3.34Å; V277-S280 PolarHBondContact O-N 3.32Å; S280-T282 VanDerWaalsContact C-N 3.31Å; S280-T282 PolarHBondContact O-N 3.36Å; S280-V283 PolarHBondContact O-N 3.39Å; S280-F284 VanDerWaalsContact O-CD2 3.26Å; S280-F284 WeakPolarHBondContact O-CD2 3.33Å; S280-F284 PolarHBondContact O-N 2.94Å
281	L	83.8	Confident	86	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-40.5	177.5	-168.6	155.2	0	0	0	111.9	V277 L278 L279 V283 F284 L285 L306 T309 M310 V313	V277-L281 WeakPolarHBondContact O-CB 3.21Å; V277-L281 PolarHBondContact O-N 2.84Å; L278-L281 PolarHBondContact O-N 3.5Å; L279-L281 PolarHBondContact O-N 3.33Å; L281-V283 VanDerWaalsContact C-N 3.35Å; L281-V283 PolarHBondContact O-N 3.04Å; L281-F284 PolarHBondContact O-N 3.08Å; L281-L285 PolarHBondContact O-N 2.85Å; L281-L306 HydrophobicContact CG-CD2 4.34Å; L281-T309 HydrophobicContact CD1-CG2 3.5Å; L281-M310 HydrophobicContact CD2-CB 3.62Å; L281-M310 HydrophobicContact CD2-CG 3.93Å; L281-M310 HydrophobicContact CD2-SD 4.48Å; L281-V313 HydrophobicContact CD1-CG2 4.21Å
282	T	86	Confident	85.9	Confident	46 Å²	46	56.5 Å²	56.5	28%	0.282	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-41.1	177.5	-53.6	0	0	0	0	111.5	L278 L279 S280 L285 L286	L278-T282 PolarHBondContact O-N 3.45Å; L278-T282 PolarHBondContact O-OG1 2.77Å; L279-T282 PolarHBondContact O-N 2.87Å; S280-T282 VanDerWaalsContact C-N 3.31Å; S280-T282 PolarHBondContact O-N 3.36Å; T282-L285 PolarHBondContact O-N 3.34Å; T282-L286 WeakPolarHBondContact O-CG 3.2Å; T282-L286 PolarHBondContact O-N 2.96Å
283	V	90.4	Very high	85.5	Confident	95 Å²	95	53.6 Å²	53.6	58%	0.576	29%	0.294	S	S	*	.	H	α-helix	trans	-64.6	-43.2	175.3	172.5	0	0	0	0	111.5	L279 S280 L281 L285 L286 L287	L279-V283 WeakPolarHBondContact O-CG2 3.45Å; L279-V283 PolarHBondContact O-N 3.48Å; S280-V283 PolarHBondContact O-N 3.39Å; L281-V283 VanDerWaalsContact C-N 3.35Å; L281-V283 PolarHBondContact O-N 3.04Å; V283-L285 VanDerWaalsContact C-N 3.33Å; V283-L285 PolarHBondContact O-N 3.2Å; V283-L286 PolarHBondContact O-N 3.08Å; V283-L287 PolarHBondContact O-N 2.84Å
284	F	83.8	Confident	84.9	Confident	44 Å²	44	57 Å²	57	19%	0.193	32%	0.322	C	S	.	.	H	α-helix	trans	-63.5	-37.8	176.2	-86.1	-72.8	0	0	0	112.6	P249 I253 S280 L281 L287 I288	P249-F284 HydrophobicContact CB-CE1 4.02Å; P249-F284 HydrophobicContact CB-CE2 4.44Å; P249-F284 HydrophobicContact CB-CZ 3.7Å; I253-F284 HydrophobicContact CD1-CD2 3.49Å; I253-F284 VanDerWaalsContact CD1-CD2 3.49Å; I253-F284 HydrophobicContact CD1-CE2 3.3Å; I253-F284 HydrophobicContact CD1-CZ 4.27Å; S280-F284 VanDerWaalsContact O-CD2 3.26Å; S280-F284 WeakPolarHBondContact O-CD2 3.33Å; S280-F284 PolarHBondContact O-N 2.94Å; L281-F284 PolarHBondContact O-N 3.08Å; F284-L287 PolarHBondContact O-N 3.22Å; F284-I288 WeakPolarHBondContact O-CG1 3.28Å; F284-I288 PolarHBondContact O-N 3.36Å; F284-I288 VanDerWaalsContact O-N 3.13Å
285	L	81.8	Confident	84.6	Confident	39 Å²	39	58.6 Å²	58.6	20%	0.204	33%	0.332	C	S	.	.	H	α-helix	trans	-63.4	-45.9	174.3	-179.4	63.9	0	0	0	111.2	L281 T282 V283 L287 I288 T289 L306 M310	L281-L285 PolarHBondContact O-N 2.85Å; T282-L285 PolarHBondContact O-N 3.34Å; V283-L285 VanDerWaalsContact C-N 3.33Å; V283-L285 PolarHBondContact O-N 3.2Å; L285-L287 VanDerWaalsContact C-N 3.35Å; L285-L287 PolarHBondContact O-N 3.37Å; L285-I288 PolarHBondContact O-N 2.82Å; L285-T289 WeakPolarHBondContact O-CG2 3.18Å; L285-T289 PolarHBondContact O-N 3.2Å; L285-T289 PolarHBondContact O-OG1 3.48Å; L285-L306 HydrophobicContact CD1-CB 4.22Å; L285-M310 HydrophobicContact CD2-SD 4.05Å
286	L	86.3	Confident	84	Confident	104 Å²	104	60.3 Å²	60.3	55%	0.545	35%	0.352	S	S	.	.	H	α-helix	trans	-58.6	-45.8	176.7	-72.6	173.3	0	0	0	111.7	T282 V283 I288 T289 E290	T282-L286 WeakPolarHBondContact O-CG 3.2Å; T282-L286 PolarHBondContact O-N 2.96Å; V283-L286 PolarHBondContact O-N 3.08Å; L286-I288 VanDerWaalsContact C-N 3.29Å; L286-I288 PolarHBondContact O-N 3.45Å; L286-T289 WeakPolarHBondContact CA-OG1 3.27Å; L286-T289 PolarHBondContact O-N 3.26Å; L286-T289 PolarHBondContact O-OG1 2.82Å; L286-E290 PolarHBondContact O-N 2.99Å; L286-E290 VanDerWaalsContact O-N 3.15Å
287	L	86.9	Confident	83.5	Confident	81 Å²	81	64.3 Å²	64.3	42%	0.424	37%	0.367	S	S	.	.	H	α-helix	trans	-56.1	-43.4	176.1	-178.9	69.7	0	0	0	112	V283 F284 L285 E290 I291	V283-L287 PolarHBondContact O-N 2.84Å; F284-L287 PolarHBondContact O-N 3.22Å; L285-L287 VanDerWaalsContact C-N 3.35Å; L285-L287 PolarHBondContact O-N 3.37Å; L287-E290 PolarHBondContact O-N 3.21Å; L287-I291 HydrophobicContact CG-CD1 4.27Å; L287-I291 WeakPolarHBondContact O-CG1 3.38Å; L287-I291 PolarHBondContact O-N 3.33Å
288	I	83.4	Confident	83.2	Confident	7 Å²	7	66.1 Å²	66.1	4%	0.036	38%	0.378	C	S	.	.	H	α-helix	trans	-68.7	-39.4	-179.8	-75.6	163.7	0	0	0	111.8	L246 F284 L285 L286 E290 I291 I292 I302 L306	L246-I288 HydrophobicContact CD1-CD1 4.06Å; L246-I288 HydrophobicContact CD1-CG1 3.73Å; L246-I288 HydrophobicContact CD2-CD1 3.67Å; L246-I288 HydrophobicContact CD2-CG1 4.29Å; L246-I288 HydrophobicContact CG-CD1 3.88Å; L246-I288 HydrophobicContact CG-CG1 4.04Å; F284-I288 WeakPolarHBondContact O-CG1 3.28Å; F284-I288 PolarHBondContact O-N 3.36Å; F284-I288 VanDerWaalsContact O-N 3.13Å; L285-I288 PolarHBondContact O-N 2.82Å; L286-I288 VanDerWaalsContact C-N 3.29Å; L286-I288 PolarHBondContact O-N 3.45Å; I288-E290 PolarHBondContact O-N 3.19Å; I288-I291 PolarHBondContact O-N 3.13Å; I288-I292 HydrophobicContact CG2-CD1 3.57Å; I288-I292 HydrophobicContact CG2-CG1 4.21Å; I288-I292 WeakPolarHBondContact O-CG1 3.29Å; I288-I292 PolarHBondContact O-N 3.43Å; I288-I292 VanDerWaalsContact O-N 3.08Å; I288-I302 HydrophobicContact CD1-CG1 4.32Å; I288-L306 HydrophobicContact CD1-CD1 3.1Å; I288-L306 HydrophobicContact CG1-CD1 4.45Å
289	T	80.1	Confident	82.9	Confident	85 Å²	85	70 Å²	70	52%	0.521	40%	0.397	S	S	.	.	H	α-helix	trans	-65.7	-20.2	175.9	58.7	0	0	0	0	113.2	L285 L286	L285-T289 WeakPolarHBondContact O-CG2 3.18Å; L285-T289 PolarHBondContact O-N 3.2Å; L285-T289 PolarHBondContact O-OG1 3.48Å; L286-T289 WeakPolarHBondContact CA-OG1 3.27Å; L286-T289 PolarHBondContact O-N 3.26Å; L286-T289 PolarHBondContact O-OG1 2.82Å
290	E	84.6	Confident	82.7	Confident	131 Å²	131	65.6 Å²	65.6	61%	0.612	38%	0.375	S	S	*	.	H	α-helix	trans	-79.8	-31.9	174.1	-72.2	-172.8	166.8	0	0	113.4	L286 L287 I288	L286-E290 PolarHBondContact O-N 2.99Å; L286-E290 VanDerWaalsContact O-N 3.15Å; L287-E290 PolarHBondContact O-N 3.21Å; I288-E290 PolarHBondContact O-N 3.19Å
291	I	83.3	Confident	82.6	Confident	51 Å²	51	65.6 Å²	65.6	26%	0.262	37%	0.372	S	S	.	.	H	α-helix	trans	-81.5	-40.6	-177.9	-61.9	164.9	0	0	0	111.2	F164 L287 I288	F164-I291 HydrophobicContact CZ-CG2 4.41Å; L287-I291 HydrophobicContact CG-CD1 4.27Å; L287-I291 WeakPolarHBondContact O-CG1 3.38Å; L287-I291 PolarHBondContact O-N 3.33Å; I288-I291 PolarHBondContact O-N 3.13Å
292	I	82.7	Confident	82.6	Confident	18 Å²	18	65.7 Å²	65.7	9%	0.092	37%	0.372	C	S	.	.	S	Bend	trans	-85.1	142	-173.1	-59.3	-175	0	0	0	110.5	V161 I288 P300 I302	V161-I292 HydrophobicContact CB-CG2 4.3Å; V161-I292 HydrophobicContact CG1-CG2 4.44Å; V161-I292 HydrophobicContact CG2-CG2 3.81Å; I288-I292 HydrophobicContact CG2-CD1 3.57Å; I288-I292 HydrophobicContact CG2-CG1 4.21Å; I288-I292 WeakPolarHBondContact O-CG1 3.29Å; I288-I292 PolarHBondContact O-N 3.43Å; I288-I292 VanDerWaalsContact O-N 3.08Å; I292-P300 HydrophobicContact CD1-CB 3.88Å; I292-P300 HydrophobicContact CD1-CG 3.46Å; I292-P300 VanDerWaalsContact CD1-CG 3.46Å; I292-P300 HydrophobicContact CG2-CG 3.67Å; I292-I302 HydrophobicContact CD1-CG2 4.38Å
293	P	80.8	Confident	82.4	Confident	9 Å²	9	64.1 Å²	64.1	6%	0.058	37%	0.366	C	S	.	.			trans	-58.1	147.3	173.1	20.6	-31.4	0	0	0	112.8	E74 V161 T295	E74-P293 VanDerWaalsContact O-CB 3.28Å; E74-P293 WeakPolarHBondContact O-CB 3.32Å; E74-P293 WeakPolarHBondContact O-CG 3.38Å; V161-P293 HydrophobicContact CG1-CG 4.13Å; V161-P293 HydrophobicContact CG2-CG 4.47Å; P293-T295 HydrophobicContact CB-CG2 4.22Å; P293-T295 PolarHBondContact O-N 3.45Å
294	S	74.4	Confident	82.1	Confident	124 Å²	124	65.3 Å²	65.3	87%	0.867	37%	0.365	S	S	*	.			trans	-76.7	33.7	177	53.3	0	0	0	0	113.8
295	T	77.9	Confident	82.1	Confident	37 Å²	37	64 Å²	64	23%	0.227	36%	0.359	C	S	.	.			trans	-77.2	133	178.7	49.6	0	0	0	0	111.9	P293	P293-T295 HydrophobicContact CB-CG2 4.22Å; P293-T295 PolarHBondContact O-N 3.45Å
296	S	75.8	Confident	82.1	Confident	122 Å²	122	62.3 Å²	62.3	85%	0.853	35%	0.35	S	S	*	.	S	Bend	trans	-89.2	-2	175.6	57	0	0	0	0	114.5
297	L	78.4	Confident	82	Confident	151 Å²	151	62.5 Å²	62.5	79%	0.791	35%	0.351	S	S	*	.	S	Bend	trans	-69.2	-41.9	-176.6	-67.6	175.5	0	0	0	112.3
298	V	81.2	Confident	81.8	Confident	47 Å²	47	62.8 Å²	62.8	29%	0.285	35%	0.349	S	S	.	.			trans	-140.9	138.8	-177.7	-65.5	0	0	0	0	109.5	V161 T162	V161-V298 HydrophobicContact CG2-CG2 4.48Å; T162-V298 HydrophobicContact CG2-CB 3.7Å; T162-V298 HydrophobicContact CG2-CG1 3.92Å; T162-V298 HydrophobicContact CG2-CG2 4.05Å
299	I	80.9	Confident	81.7	Confident	126 Å²	126	63 Å²	63	65%	0.646	35%	0.351	S	S	*	.			trans	-99.1	131	174.7	-58.2	172.9	0	0	0	107.4
300	P	86.4	Confident	81.9	Confident	15 Å²	15	61.9 Å²	61.9	10%	0.097	34%	0.34	C	S	.	.			trans	-60.7	139.9	175.3	-17.2	26.1	0	0	0	111.6	V161 I292 I302 G303 E304	V161-P300 HydrophobicContact CB-CG 4.47Å; V161-P300 HydrophobicContact CG2-CG 3.92Å; I292-P300 HydrophobicContact CD1-CB 3.88Å; I292-P300 HydrophobicContact CD1-CG 3.46Å; I292-P300 VanDerWaalsContact CD1-CG 3.46Å; I292-P300 HydrophobicContact CG2-CG 3.67Å; P300-I302 HydrophobicContact CB-CG2 3.93Å; P300-I302 PolarHBondContact O-N 3.38Å; P300-G303 WeakPolarHBondContact O-CA 3.46Å; P300-G303 PolarHBondContact O-N 3.25Å; P300-E304 PolarHBondContact O-N 3.14Å
301	L	84.8	Confident	82	Confident	40 Å²	40	59 Å²	59	21%	0.209	33%	0.332	C	S	.	.	H	α-helix	trans	-58.4	-35	178.7	-168.6	65.7	0	0	0	112.3	T162 G303 E304 Y305 L631 P634 P635	T162-L301 WeakPolarHBondContact O-CB 3.36Å; T162-L301 PolarHBondContact O-N 3.2Å; L301-G303 VanDerWaalsContact C-N 3.35Å; L301-E304 PolarHBondContact O-N 2.62Å; L301-Y305 WeakPolarHBondContact O-CB 3.4Å; L301-Y305 PolarHBondContact O-N 3.27Å; L301-L631 VanDerWaalsContact CD2-O 3.28Å; L301-L631 WeakPolarHBondContact CD2-O 3.42Å; L301-P634 HydrophobicContact CD2-CB 4.48Å; L301-P634 HydrophobicContact CD2-CG 4.13Å; L301-P635 HydrophobicContact CD2-CG 4.46Å
302	I	83.8	Confident	82	Confident	7 Å²	7	58.9 Å²	58.9	4%	0.036	33%	0.329	C	S	.	.	H	α-helix	trans	-65.8	-36	174.2	-171.6	61.2	0	0	0	112.6	F164 L246 I288 I292 P300 Y305 L306 L631	F164-I302 HydrophobicContact CD1-CG2 4.28Å; L246-I302 HydrophobicContact CD2-CD1 4.08Å; L246-I302 HydrophobicContact CD2-CG1 3.79Å; I288-I302 HydrophobicContact CD1-CG1 4.32Å; I292-I302 HydrophobicContact CD1-CG2 4.38Å; P300-I302 HydrophobicContact CB-CG2 3.93Å; P300-I302 PolarHBondContact O-N 3.38Å; I302-Y305 HydrophobicContact CD1-CD1 4.41Å; I302-Y305 PolarHBondContact O-N 3.34Å; I302-L306 HydrophobicContact CG1-CD1 4.34Å; I302-L306 WeakPolarHBondContact O-CB 3.2Å; I302-L306 WeakPolarHBondContact O-CG 3.3Å; I302-L306 PolarHBondContact O-N 3.25Å; I302-L631 HydrophobicContact CD1-CD1 3.93Å
303	G	83.2	Confident	82	Confident	14 Å²	14	58.1 Å²	58.1	14%	0.144	33%	0.325	C	S	.	.	H	α-helix	trans	-69.7	-42.5	177.6	0	0	0	0	0	111.3	P300 L301 L306 L307	P300-G303 WeakPolarHBondContact O-CA 3.46Å; P300-G303 PolarHBondContact O-N 3.25Å; L301-G303 VanDerWaalsContact C-N 3.35Å; G303-L306 PolarHBondContact O-N 3.15Å; G303-L307 WeakPolarHBondContact O-CB 3.43Å; G303-L307 PolarHBondContact O-N 3.25Å
304	E	84.2	Confident	82.3	Confident	119 Å²	119	60.2 Å²	60.2	56%	0.556	34%	0.338	S	S	*	.	H	α-helix	trans	-59.6	-45.8	172.3	-173.2	178.8	176.6	0	0	111.4	P300 L301 L306 L307 F308	P300-E304 PolarHBondContact O-N 3.14Å; L301-E304 PolarHBondContact O-N 2.62Å; E304-L306 PolarHBondContact O-N 3.38Å; E304-L307 PolarHBondContact O-N 3.5Å; E304-F308 VanDerWaalsContact O-CB 3.32Å; E304-F308 WeakPolarHBondContact O-CB 3.41Å; E304-F308 PolarHBondContact O-N 3.07Å
305	Y	83.4	Confident	82.9	Confident	17 Å²	17	58.3 Å²	58.3	7%	0.067	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-44.3	177.1	174.9	-100.4	0	0	0	113.1	C250 S254 L301 I302 F308 T309 L631	C250-Y305 VanDerWaalsContact SG-CE1 3.55Å; S254-Y305 VanDerWaalsContact CB-OH 3.27Å; S254-Y305 WeakPolarHBondContact CB-OH 3.39Å; S254-Y305 PolarHBondContact OG-OH 3.21Å; S254-Y305 VanDerWaalsContact OG-OH 3.08Å; L301-Y305 WeakPolarHBondContact O-CB 3.4Å; L301-Y305 PolarHBondContact O-N 3.27Å; I302-Y305 HydrophobicContact CD1-CD1 4.41Å; I302-Y305 PolarHBondContact O-N 3.34Å; Y305-F308 PolarHBondContact O-N 3.27Å; Y305-T309 WeakPolarHBondContact O-CB 3.46Å; Y305-T309 PolarHBondContact O-N 3.07Å; Y305-T309 PolarHBondContact O-OG1 3.36Å; Y305-L631 HydrophobicContact CD1-CD1 3.79Å; Y305-L631 HydrophobicContact CD2-CB 4.49Å; Y305-L631 HydrophobicContact CD2-CD1 4.03Å; Y305-L631 HydrophobicContact CE1-CD1 4.44Å; Y305-L631 HydrophobicContact CG-CD1 3.55Å
306	L	81.9	Confident	83.3	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-66.7	-40.6	178.2	-82.1	169.3	0	0	0	112.3	C250 L281 L285 I288 I302 G303 E304 T309 M310	C250-L306 WeakPolarHBondContact SG-CD2 3.5Å; L281-L306 HydrophobicContact CG-CD2 4.34Å; L285-L306 HydrophobicContact CD1-CB 4.22Å; I288-L306 HydrophobicContact CD1-CD1 3.1Å; I288-L306 HydrophobicContact CG1-CD1 4.45Å; I302-L306 HydrophobicContact CG1-CD1 4.34Å; I302-L306 WeakPolarHBondContact O-CB 3.2Å; I302-L306 WeakPolarHBondContact O-CG 3.3Å; I302-L306 PolarHBondContact O-N 3.25Å; G303-L306 PolarHBondContact O-N 3.15Å; E304-L306 PolarHBondContact O-N 3.38Å; L306-T309 PolarHBondContact O-N 2.87Å; L306-M310 WeakPolarHBondContact O-CB 3.45Å; L306-M310 PolarHBondContact O-N 3.47Å
307	L	83.3	Confident	83.8	Confident	108 Å²	108	52.6 Å²	52.6	57%	0.565	28%	0.276	S	S	*	.	H	α-helix	trans	-64.7	-44.1	175.9	-173.7	138.4	0	0	0	111	G303 E304 T309 M310 V311	G303-L307 WeakPolarHBondContact O-CB 3.43Å; G303-L307 PolarHBondContact O-N 3.25Å; E304-L307 PolarHBondContact O-N 3.5Å; L307-T309 PolarHBondContact O-N 3.16Å; L307-M310 WeakPolarHBondContact O-CB 3.26Å; L307-M310 PolarHBondContact O-N 2.96Å; L307-V311 WeakPolarHBondContact O-CG2 3.42Å; L307-V311 PolarHBondContact O-N 3.38Å
308	F	83.9	Confident	84.4	Confident	88 Å²	88	50.7 Å²	50.7	39%	0.386	27%	0.265	S	S	.	.	H	α-helix	trans	-56.9	-50.6	172.1	-179	-94.3	0	0	0	110.9	E304 Y305 M310 V311 F312 V623	E304-F308 VanDerWaalsContact O-CB 3.32Å; E304-F308 WeakPolarHBondContact O-CB 3.41Å; E304-F308 PolarHBondContact O-N 3.07Å; Y305-F308 PolarHBondContact O-N 3.27Å; F308-M310 VanDerWaalsContact C-N 3.3Å; F308-M310 PolarHBondContact O-N 3.44Å; F308-V311 PolarHBondContact O-N 3.39Å; F308-V311 VanDerWaalsContact O-N 3.16Å; F308-F312 AromaticContact CD1-CD2 3.72Å; F308-F312 HydrophobicContact CD1-CD2 3.72Å; F308-F312 AromaticContact CD1-CE2 3.99Å; F308-F312 HydrophobicContact CD1-CE2 3.99Å; F308-F312 HydrophobicContact CD2-CD2 4.16Å; F308-F312 AromaticContact CD2-CE2 3.77Å; F308-F312 HydrophobicContact CD2-CE2 3.77Å; F308-F312 AromaticContact CE1-CD2 3.48Å; F308-F312 HydrophobicContact CE1-CD2 3.48Å; F308-F312 VanDerWaalsContact CE1-CD2 3.48Å; F308-F312 AromaticContact CE1-CE2 3.46Å; F308-F312 HydrophobicContact CE1-CE2 3.46Å; F308-F312 VanDerWaalsContact CE1-CE2 3.46Å; F308-F312 HydrophobicContact CE1-CG 4.49Å; F308-F312 HydrophobicContact CE1-CZ 4.37Å; F308-F312 AromaticContact CE2-CD2 3.99Å; F308-F312 HydrophobicContact CE2-CD2 3.99Å; F308-F312 AromaticContact CE2-CE2 3.25Å; F308-F312 HydrophobicContact CE2-CE2 3.25Å; F308-F312 HydrophobicContact CE2-CZ 4.12Å; F308-F312 HydrophobicContact CG-CD2 4.05Å; F308-F312 HydrophobicContact CG-CE2 4.13Å; F308-F312 AromaticContact CZ-CD2 3.64Å; F308-F312 HydrophobicContact CZ-CD2 3.64Å; F308-F312 AromaticContact CZ-CE2 3.06Å; F308-F312 HydrophobicContact CZ-CE2 3.06Å; F308-F312 AromaticContact CZ-CZ 3.79Å; F308-F312 HydrophobicContact CZ-CZ 3.79Å; F308-F312 VanDerWaalsContact O-CD2 3.29Å; F308-F312 WeakPolarHBondContact O-CD2 3.42Å; F308-F312 PolarHBondContact O-N 3.47Å; F308-V623 HydrophobicContact CE1-CG1 3.6Å; F308-V623 HydrophobicContact CZ-CG1 3.66Å
309	T	81.4	Confident	84.8	Confident	12 Å²	12	50.2 Å²	50.2	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-39.5	178.7	-54.3	0	0	0	0	111.5	L281 Y305 L306 L307 V311 F312 V313	L281-T309 HydrophobicContact CD1-CG2 3.5Å; Y305-T309 WeakPolarHBondContact O-CB 3.46Å; Y305-T309 PolarHBondContact O-N 3.07Å; Y305-T309 PolarHBondContact O-OG1 3.36Å; L306-T309 PolarHBondContact O-N 2.87Å; L307-T309 PolarHBondContact O-N 3.16Å; T309-V311 PolarHBondContact O-N 3.27Å; T309-F312 PolarHBondContact O-N 3.22Å; T309-V313 HydrophobicContact CG2-CG2 4.3Å; T309-V313 WeakPolarHBondContact O-CB 3.33Å; T309-V313 VanDerWaalsContact O-CG2 3.28Å; T309-V313 WeakPolarHBondContact O-CG2 3.37Å; T309-V313 PolarHBondContact O-N 3.18Å
310	M	84.2	Confident	85.1	Confident	61 Å²	61	44.3 Å²	44.3	30%	0.3	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-45.3	175.7	-168	178	177.1	0	0	111.9	L281 L285 L306 L307 F308 F312 V313 T314	L281-M310 HydrophobicContact CD2-CB 3.62Å; L281-M310 HydrophobicContact CD2-CG 3.93Å; L281-M310 HydrophobicContact CD2-SD 4.48Å; L285-M310 HydrophobicContact CD2-SD 4.05Å; L306-M310 WeakPolarHBondContact O-CB 3.45Å; L306-M310 PolarHBondContact O-N 3.47Å; L307-M310 WeakPolarHBondContact O-CB 3.26Å; L307-M310 PolarHBondContact O-N 2.96Å; F308-M310 VanDerWaalsContact C-N 3.3Å; F308-M310 PolarHBondContact O-N 3.44Å; M310-F312 VanDerWaalsContact C-N 3.32Å; M310-F312 PolarHBondContact O-N 3.02Å; M310-V313 PolarHBondContact O-N 3.21Å; M310-T314 WeakPolarHBondContact O-CG2 3.41Å; M310-T314 PolarHBondContact O-N 3.27Å; M310-T314 PolarHBondContact O-OG1 2.95Å
311	V	86.3	Confident	85.3	Confident	71 Å²	71	47.2 Å²	47.2	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-60.6	-43.3	174.9	174	0	0	0	0	110.5	L307 F308 T309 T314 L315	L307-V311 WeakPolarHBondContact O-CG2 3.42Å; L307-V311 PolarHBondContact O-N 3.38Å; F308-V311 PolarHBondContact O-N 3.39Å; F308-V311 VanDerWaalsContact O-N 3.16Å; T309-V311 PolarHBondContact O-N 3.27Å; V311-T314 WeakPolarHBondContact CA-OG1 3.46Å; V311-T314 PolarHBondContact O-N 3.4Å; V311-T314 PolarHBondContact O-OG1 2.81Å; V311-L315 HydrophobicContact CG1-CD1 4.2Å; V311-L315 WeakPolarHBondContact O-CG 3.37Å; V311-L315 PolarHBondContact O-N 3.45Å
312	F	83.1	Confident	85.6	Confident	47 Å²	47	50 Å²	50	21%	0.206	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-38	177.5	-85.5	-79.2	0	0	0	113.5	F308 T309 M310 L315 S316 F620 V623	F308-F312 AromaticContact CD1-CD2 3.72Å; F308-F312 HydrophobicContact CD1-CD2 3.72Å; F308-F312 AromaticContact CD1-CE2 3.99Å; F308-F312 HydrophobicContact CD1-CE2 3.99Å; F308-F312 HydrophobicContact CD2-CD2 4.16Å; F308-F312 AromaticContact CD2-CE2 3.77Å; F308-F312 HydrophobicContact CD2-CE2 3.77Å; F308-F312 AromaticContact CE1-CD2 3.48Å; F308-F312 HydrophobicContact CE1-CD2 3.48Å; F308-F312 VanDerWaalsContact CE1-CD2 3.48Å; F308-F312 AromaticContact CE1-CE2 3.46Å; F308-F312 HydrophobicContact CE1-CE2 3.46Å; F308-F312 VanDerWaalsContact CE1-CE2 3.46Å; F308-F312 HydrophobicContact CE1-CG 4.49Å; F308-F312 HydrophobicContact CE1-CZ 4.37Å; F308-F312 AromaticContact CE2-CD2 3.99Å; F308-F312 HydrophobicContact CE2-CD2 3.99Å; F308-F312 AromaticContact CE2-CE2 3.25Å; F308-F312 HydrophobicContact CE2-CE2 3.25Å; F308-F312 HydrophobicContact CE2-CZ 4.12Å; F308-F312 HydrophobicContact CG-CD2 4.05Å; F308-F312 HydrophobicContact CG-CE2 4.13Å; F308-F312 AromaticContact CZ-CD2 3.64Å; F308-F312 HydrophobicContact CZ-CD2 3.64Å; F308-F312 AromaticContact CZ-CE2 3.06Å; F308-F312 HydrophobicContact CZ-CE2 3.06Å; F308-F312 AromaticContact CZ-CZ 3.79Å; F308-F312 HydrophobicContact CZ-CZ 3.79Å; F308-F312 VanDerWaalsContact O-CD2 3.29Å; F308-F312 WeakPolarHBondContact O-CD2 3.42Å; F308-F312 PolarHBondContact O-N 3.47Å; T309-F312 PolarHBondContact O-N 3.22Å; M310-F312 VanDerWaalsContact C-N 3.32Å; M310-F312 PolarHBondContact O-N 3.02Å; F312-L315 PolarHBondContact O-N 2.78Å; F312-S316 WeakPolarHBondContact O-CB 3.34Å; F312-S316 PolarHBondContact O-N 3.4Å; F312-F620 HydrophobicContact CB-CE1 4.04Å; F312-F620 HydrophobicContact CD1-CD1 4.23Å; F312-F620 AromaticContact CD1-CE1 3.73Å; F312-F620 HydrophobicContact CD1-CE1 3.73Å; F312-F620 HydrophobicContact CD1-CZ 4.36Å; F312-F620 HydrophobicContact CG-CE1 4.37Å; F312-F620 WeakPolarHBondContact O-CE1 3.21Å; F312-V623 HydrophobicContact CD1-CG1 4.05Å; F312-V623 HydrophobicContact CD2-CG1 4.19Å; F312-V623 HydrophobicContact CE1-CB 4.47Å; F312-V623 HydrophobicContact CE1-CG1 3.77Å; F312-V623 HydrophobicContact CE1-CG2 4.21Å; F312-V623 HydrophobicContact CE2-CG1 4Å; F312-V623 HydrophobicContact CG-CG1 4.25Å; F312-V623 HydrophobicContact CZ-CG1 3.75Å; F312-V623 HydrophobicContact CZ-CG2 4.47Å
313	V	83.6	Confident	85.9	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-39.4	175.3	171.8	0	0	0	0	111.5	T257 V277 L278 L281 T309 M310 S316 I317	T257-V313 HydrophobicContact CG2-CG2 3.29Å; V277-V313 HydrophobicContact CG1-CG1 4.41Å; V277-V313 HydrophobicContact CG1-CG2 4.43Å; L278-V313 HydrophobicContact CB-CG1 4.01Å; L278-V313 HydrophobicContact CD1-CG1 3.94Å; L281-V313 HydrophobicContact CD1-CG2 4.21Å; T309-V313 HydrophobicContact CG2-CG2 4.3Å; T309-V313 WeakPolarHBondContact O-CB 3.33Å; T309-V313 VanDerWaalsContact O-CG2 3.28Å; T309-V313 WeakPolarHBondContact O-CG2 3.37Å; T309-V313 PolarHBondContact O-N 3.18Å; M310-V313 PolarHBondContact O-N 3.21Å; V313-S316 PolarHBondContact O-N 3.27Å; V313-S316 PolarHBondContact O-OG 3.16Å; V313-I317 HydrophobicContact CG1-CD1 4.15Å; V313-I317 WeakPolarHBondContact O-CD1 3.37Å; V313-I317 WeakPolarHBondContact O-CG1 3.35Å; V313-I317 PolarHBondContact O-N 3.47Å
314	T	86.3	Confident	86.1	Confident	54 Å²	54	50.2 Å²	50.2	33%	0.331	26%	0.256	S	S	.	.	H	α-helix	trans	-66.5	-41.9	175.9	55.2	0	0	0	0	111.6	L278 M310 V311 S316 I317 I318	L278-T314 HydrophobicContact CD1-CG2 3.93Å; M310-T314 WeakPolarHBondContact O-CG2 3.41Å; M310-T314 PolarHBondContact O-N 3.27Å; M310-T314 PolarHBondContact O-OG1 2.95Å; V311-T314 WeakPolarHBondContact CA-OG1 3.46Å; V311-T314 PolarHBondContact O-N 3.4Å; V311-T314 PolarHBondContact O-OG1 2.81Å; T314-S316 VanDerWaalsContact C-N 3.34Å; T314-S316 PolarHBondContact O-N 3.48Å; T314-I317 PolarHBondContact O-N 2.95Å; T314-I318 WeakPolarHBondContact O-CG1 3.43Å; T314-I318 PolarHBondContact O-N 3.33Å
315	L	87.3	Confident	86.4	Confident	84 Å²	84	49 Å²	49	44%	0.44	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-40.2	172.1	-70.4	173.4	0	0	0	111.9	V311 F312 I317 I318 I319	V311-L315 HydrophobicContact CG1-CD1 4.2Å; V311-L315 WeakPolarHBondContact O-CG 3.37Å; V311-L315 PolarHBondContact O-N 3.45Å; F312-L315 PolarHBondContact O-N 2.78Å; L315-I317 VanDerWaalsContact C-N 3.34Å; L315-I317 PolarHBondContact O-N 3.02Å; L315-I318 PolarHBondContact O-N 3.5Å; L315-I319 WeakPolarHBondContact O-CG1 3.4Å; L315-I319 PolarHBondContact O-N 3.5Å
316	S	85.7	Confident	86.6	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-41.6	179	80.3	0	0	0	0	111.3	F312 V313 T314 I318 I319 T320	F312-S316 WeakPolarHBondContact O-CB 3.34Å; F312-S316 PolarHBondContact O-N 3.4Å; V313-S316 PolarHBondContact O-N 3.27Å; V313-S316 PolarHBondContact O-OG 3.16Å; T314-S316 VanDerWaalsContact C-N 3.34Å; T314-S316 PolarHBondContact O-N 3.48Å; S316-I318 PolarHBondContact O-N 3.09Å; S316-I319 PolarHBondContact O-N 3.29Å; S316-T320 VanDerWaalsContact O-CG2 3.3Å; S316-T320 WeakPolarHBondContact O-CG2 3.45Å; S316-T320 PolarHBondContact O-N 2.83Å; S316-T320 PolarHBondContact O-OG1 3.05Å
317	I	87.4	Confident	86.9	Confident	36 Å²	36	48.8 Å²	48.8	19%	0.185	25%	0.253	C	S	.	.	H	α-helix	trans	-58.1	-46.5	173.9	-70.7	160.7	0	0	0	111.6	C274 L278 V313 T314 L315 I319 T320 V321	C274-I317 HydrophobicContact CB-CD1 4.38Å; C274-I317 HydrophobicContact CB-CG1 3.66Å; L278-I317 HydrophobicContact CB-CD1 4.03Å; L278-I317 HydrophobicContact CD2-CD1 3.78Å; L278-I317 HydrophobicContact CG-CD1 4.35Å; V313-I317 HydrophobicContact CG1-CD1 4.15Å; V313-I317 WeakPolarHBondContact O-CD1 3.37Å; V313-I317 WeakPolarHBondContact O-CG1 3.35Å; V313-I317 PolarHBondContact O-N 3.47Å; T314-I317 PolarHBondContact O-N 2.95Å; L315-I317 VanDerWaalsContact C-N 3.34Å; L315-I317 PolarHBondContact O-N 3.02Å; I317-I319 VanDerWaalsContact C-N 3.29Å; I317-I319 PolarHBondContact O-N 3.16Å; I317-T320 WeakPolarHBondContact CA-OG1 3.42Å; I317-T320 PolarHBondContact O-N 2.82Å; I317-T320 PolarHBondContact O-OG1 3.39Å; I317-V321 WeakPolarHBondContact O-CG2 3.37Å; I317-V321 PolarHBondContact O-N 2.92Å
318	I	90.5	Very high	87	Confident	110 Å²	110	50.2 Å²	50.2	56%	0.564	26%	0.257	S	S	*	.	H	α-helix	trans	-60.8	-43.4	179.2	-65.5	166.8	0	0	0	110.3	T314 L315 S316 F322	T314-I318 WeakPolarHBondContact O-CG1 3.43Å; T314-I318 PolarHBondContact O-N 3.33Å; L315-I318 PolarHBondContact O-N 3.5Å; S316-I318 PolarHBondContact O-N 3.09Å; I318-F322 PolarHBondContact O-N 3.22Å
319	I	89.5	Confident	87.1	Confident	38 Å²	38	49 Å²	49	20%	0.195	25%	0.25	C	C	.	.	H	α-helix	trans	-66.7	-41.1	177.5	-64.4	-58	0	0	0	111.7	F261 L315 S316 I317 V321 F322 V323 F616	F261-I319 HydrophobicContact CE1-CB 4.45Å; F261-I319 HydrophobicContact CE1-CG2 3.94Å; F261-I319 HydrophobicContact CZ-CG2 4.49Å; L315-I319 WeakPolarHBondContact O-CG1 3.4Å; L315-I319 PolarHBondContact O-N 3.5Å; S316-I319 PolarHBondContact O-N 3.29Å; I317-I319 VanDerWaalsContact C-N 3.29Å; I317-I319 PolarHBondContact O-N 3.16Å; I319-V321 VanDerWaalsContact C-N 3.34Å; I319-V321 PolarHBondContact O-N 3.46Å; I319-F322 WeakPolarHBondContact O-CB 3.27Å; I319-F322 PolarHBondContact O-N 3.02Å; I319-V323 HydrophobicContact CG2-CG2 4.26Å; I319-V323 WeakPolarHBondContact O-CG2 3.28Å; I319-V323 PolarHBondContact O-N 3.01Å; I319-F616 HydrophobicContact CD1-CE1 4.09Å; I319-F616 HydrophobicContact CD1-CE2 4.26Å; I319-F616 HydrophobicContact CD1-CZ 3.75Å; I319-F616 HydrophobicContact CG1-CE1 4.21Å; I319-F616 HydrophobicContact CG1-CZ 4.23Å; I319-F616 HydrophobicContact CG2-CB 4.42Å; I319-F616 HydrophobicContact CG2-CD1 4.15Å; I319-F616 HydrophobicContact CG2-CD2 3.35Å; I319-F616 HydrophobicContact CG2-CE1 4.25Å; I319-F616 HydrophobicContact CG2-CE2 3.45Å; I319-F616 VanDerWaalsContact CG2-CE2 3.45Å; I319-F616 HydrophobicContact CG2-CG 3.73Å; I319-F616 HydrophobicContact CG2-CZ 3.93Å
320	T	88.1	Confident	87	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-65.1	-39.2	178.8	59.2	0	0	0	0	112	V260 F261 K270 S316 I317 F322 V323 L324	V260-T320 HydrophobicContact CG1-CG2 3.55Å; F261-T320 HydrophobicContact CD1-CG2 4.3Å; F261-T320 HydrophobicContact CE1-CG2 3.82Å; F261-T320 HydrophobicContact CZ-CG2 4.36Å; K270-T320 HydrophobicContact CD-CG2 4.41Å; K270-T320 HydrophobicContact CG-CG2 4.48Å; S316-T320 VanDerWaalsContact O-CG2 3.3Å; S316-T320 WeakPolarHBondContact O-CG2 3.45Å; S316-T320 PolarHBondContact O-N 2.83Å; S316-T320 PolarHBondContact O-OG1 3.05Å; I317-T320 WeakPolarHBondContact CA-OG1 3.42Å; I317-T320 PolarHBondContact O-N 2.82Å; I317-T320 PolarHBondContact O-OG1 3.39Å; T320-F322 VanDerWaalsContact C-N 3.33Å; T320-V323 PolarHBondContact O-N 3.1Å; T320-L324 WeakPolarHBondContact O-CB 3.49Å; T320-L324 VanDerWaalsContact O-CG 3.28Å; T320-L324 WeakPolarHBondContact O-CG 3.35Å; T320-L324 PolarHBondContact O-N 3.42Å
321	V	90.1	Very high	86.7	Confident	77 Å²	77	48.7 Å²	48.7	47%	0.467	25%	0.253	S	S	.	.	H	α-helix	trans	-61.3	-42.8	172.2	173.2	0	0	0	0	110.8	I317 I319 L324 N325	I317-V321 WeakPolarHBondContact O-CG2 3.37Å; I317-V321 PolarHBondContact O-N 2.92Å; I319-V321 VanDerWaalsContact C-N 3.34Å; I319-V321 PolarHBondContact O-N 3.46Å; V321-L324 PolarHBondContact O-N 3.22Å; V321-N325 WeakPolarHBondContact O-CB 3.24Å; V321-N325 PolarHBondContact O-N 3.41Å
322	F	91.1	Very high	86.2	Confident	99 Å²	99	53.6 Å²	53.6	43%	0.434	27%	0.269	S	S	.	.	H	α-helix	trans	-61	-46.2	174.3	173.2	-99.1	0	0	0	112.3	I318 I319 T320 L324 N325 V326 I612	I318-F322 PolarHBondContact O-N 3.22Å; I319-F322 WeakPolarHBondContact O-CB 3.27Å; I319-F322 PolarHBondContact O-N 3.02Å; T320-F322 VanDerWaalsContact C-N 3.33Å; F322-L324 VanDerWaalsContact C-N 3.34Å; F322-L324 PolarHBondContact O-N 2.72Å; F322-N325 WeakPolarHBondContact O-CB 3.23Å; F322-N325 PolarHBondContact O-N 3.29Å; F322-V326 HydrophobicContact CD1-CG2 4.39Å; F322-V326 HydrophobicContact CE1-CG2 3.94Å; F322-V326 HydrophobicContact CE2-CG2 4.13Å; F322-V326 HydrophobicContact CZ-CG2 3.8Å; F322-V326 WeakPolarHBondContact O-CG2 3.28Å; F322-V326 PolarHBondContact O-N 3.4Å; F322-I612 HydrophobicContact CE1-CD1 4.36Å
323	V	89.1	Confident	86.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-41	178.3	173.3	0	0	0	0	111.4	I319 T320 N325 V326 H327 A609 I612	I319-V323 HydrophobicContact CG2-CG2 4.26Å; I319-V323 WeakPolarHBondContact O-CG2 3.28Å; I319-V323 PolarHBondContact O-N 3.01Å; T320-V323 PolarHBondContact O-N 3.1Å; V323-N325 VanDerWaalsContact C-N 3.34Å; V323-V326 PolarHBondContact O-N 3.28Å; V323-H327 WeakPolarHBondContact O-CB 3.41Å; V323-H327 PolarHBondContact O-N 3.18Å; V323-A609 HydrophobicContact CG1-CB 4.03Å; V323-I612 HydrophobicContact CG2-CB 4.25Å; V323-I612 HydrophobicContact CG2-CG2 3.54Å
324	L	88.3	Confident	86.2	Confident	25 Å²	25	60.2 Å²	60.2	13%	0.131	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-42.6	175	-74	170.5	0	0	0	111.4	I271 T320 V321 F322 V326 H327 H328	I271-L324 HydrophobicContact CD1-CD1 3.6Å; I271-L324 HydrophobicContact CG1-CD1 3.43Å; I271-L324 VanDerWaalsContact CG1-CD1 3.43Å; T320-L324 WeakPolarHBondContact O-CB 3.49Å; T320-L324 VanDerWaalsContact O-CG 3.28Å; T320-L324 WeakPolarHBondContact O-CG 3.35Å; T320-L324 PolarHBondContact O-N 3.42Å; V321-L324 PolarHBondContact O-N 3.22Å; F322-L324 VanDerWaalsContact C-N 3.34Å; F322-L324 PolarHBondContact O-N 2.72Å; L324-V326 VanDerWaalsContact C-N 3.33Å; L324-V326 PolarHBondContact O-N 3.47Å; L324-H327 PolarHBondContact O-N 3.29Å; L324-H328 PolarHBondContact O-CD2 2.98Å; L324-H328 VanDerWaalsContact O-CD2 3.32Å; L324-H328 PolarHBondContact O-N 3.35Å; L324-H328 VanDerWaalsContact O-N 3.09Å
325	N	90.6	Very high	85.9	Confident	92 Å²	92	60.8 Å²	60.8	49%	0.492	32%	0.324	S	S	.	.	H	α-helix	trans	-59.5	-43.8	174	-175	28.9	0	0	0	111.5	V321 F322 V323 R329	V321-N325 WeakPolarHBondContact O-CB 3.24Å; V321-N325 PolarHBondContact O-N 3.41Å; F322-N325 WeakPolarHBondContact O-CB 3.23Å; F322-N325 PolarHBondContact O-N 3.29Å; V323-N325 VanDerWaalsContact C-N 3.34Å; N325-R329 WeakPolarHBondContact O-CG 3.41Å; N325-R329 PolarHBondContact O-N 3.22Å
326	V	88	Confident	85.7	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-65	-41.3	176.6	174.8	0	0	0	0	111.7	F322 V323 L324 H328 R329 W605 V608 A609 I612	F322-V326 HydrophobicContact CD1-CG2 4.39Å; F322-V326 HydrophobicContact CE1-CG2 3.94Å; F322-V326 HydrophobicContact CE2-CG2 4.13Å; F322-V326 HydrophobicContact CZ-CG2 3.8Å; F322-V326 WeakPolarHBondContact O-CG2 3.28Å; F322-V326 PolarHBondContact O-N 3.4Å; V323-V326 PolarHBondContact O-N 3.28Å; L324-V326 VanDerWaalsContact C-N 3.33Å; L324-V326 PolarHBondContact O-N 3.47Å; V326-H328 VanDerWaalsContact C-N 3.33Å; V326-H328 PolarHBondContact O-N 3.43Å; V326-R329 WeakPolarHBondContact O-CB 3.5Å; V326-R329 PolarHBondContact O-N 3.03Å; V326-W605 HydrophobicContact CG1-CE3 3.71Å; V326-W605 HydrophobicContact CG1-CZ3 3.95Å; V326-V608 HydrophobicContact CG1-CG1 4.29Å; V326-A609 HydrophobicContact CG1-CB 4.19Å; V326-I612 HydrophobicContact CG1-CD1 4.37Å
327	H	87	Confident	85.7	Confident	14 Å²	14	60 Å²	60	7%	0.065	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-36.9	179.8	176.9	-99.6	0	0	0	113	S265 V323 L324 R329 A609	S265-H327 PolarHBondContact OG-CD2 3.02Å; S265-H327 PolarHBondContact OG-CE1 3.31Å; S265-H327 PolarHBondContact OG-NE2 3.47Å; S265-H327 VanDerWaalsContact OG-NE2 3.08Å; V323-H327 WeakPolarHBondContact O-CB 3.41Å; V323-H327 PolarHBondContact O-N 3.18Å; L324-H327 PolarHBondContact O-N 3.29Å; H327-R329 VanDerWaalsContact C-N 3.32Å; H327-A609 HydrophobicContact CB-CB 3.78Å
328	H	85.6	Confident	85.5	Confident	138 Å²	138	66.1 Å²	66.1	64%	0.639	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	7.7	-179.9	-74.8	-81.2	0	0	0	114.1	L324 V326	L324-H328 PolarHBondContact O-CD2 2.98Å; L324-H328 VanDerWaalsContact O-CD2 3.32Å; L324-H328 PolarHBondContact O-N 3.35Å; L324-H328 VanDerWaalsContact O-N 3.09Å; V326-H328 VanDerWaalsContact C-N 3.33Å; V326-H328 PolarHBondContact O-N 3.43Å
329	R	87.2	Confident	85.4	Confident	63 Å²	63	68.7 Å²	68.7	24%	0.238	35%	0.352	C	S	.	.			trans	-67	138.5	172.7	-72.9	-176.8	-179.5	179.9	-1.6	111.4	N325 V326 H327 W605	N325-R329 WeakPolarHBondContact O-CG 3.41Å; N325-R329 PolarHBondContact O-N 3.22Å; V326-R329 WeakPolarHBondContact O-CB 3.5Å; V326-R329 PolarHBondContact O-N 3.03Å; H327-R329 VanDerWaalsContact C-N 3.32Å; R329-W605 HydrophobicContact CB-CD2 4.15Å; R329-W605 HydrophobicContact CB-CG 4.18Å; R329-W605 VanDerWaalsContact NH1-CH2 3.33Å
330	S	79.3	Confident	85.3	Confident	39 Å²	39	67.2 Å²	67.2	27%	0.273	35%	0.345	S	S	.	.			trans	-114.4	143.4	177.5	178	0	0	0	0	109.7	K332 T333 H334	S330-K332 PolarHBondContact O-N 3.4Å; S330-K332 VanDerWaalsContact O-N 3.17Å; S330-T333 PolarHBondContact O-N 3.25Å; S330-T333 VanDerWaalsContact O-N 3.08Å; S330-T333 PolarHBondContact O-OG1 3Å; S330-H334 PolarHBondContact O-N 3.36Å
331	P	77.1	Confident	85	Confident	27 Å²	27	71.6 Å²	71.6	18%	0.175	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.3	176	25.9	-38.6	0	0	0	113	T333 D598 V601	P331-T333 VanDerWaalsContact C-N 3.29Å; P331-T333 PolarHBondContact O-N 3Å; P331-D598 HydrophobicContact CB-CB 4.37Å; P331-D598 HydrophobicContact CG-CB 3.76Å; P331-D598 WeakPolarHBondContact CG-O 3.43Å; P331-V601 HydrophobicContact CB-CB 4.11Å; P331-V601 HydrophobicContact CB-CG1 3.91Å
332	K	76.3	Confident	84.8	Confident	174 Å²	174	76.7 Å²	76.7	76%	0.757	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-24	179.5	-59.8	-174.9	-179.5	-177.8	0	113.4	S330	S330-K332 PolarHBondContact O-N 3.4Å; S330-K332 VanDerWaalsContact O-N 3.17Å
333	T	83.1	Confident	84.5	Confident	100 Å²	100	74.5 Å²	74.5	61%	0.613	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-29.4	-178.8	60.9	0	0	0	0	112.9	S330 P331	S330-T333 PolarHBondContact O-N 3.25Å; S330-T333 VanDerWaalsContact O-N 3.08Å; S330-T333 PolarHBondContact O-OG1 3Å; P331-T333 VanDerWaalsContact C-N 3.29Å; P331-T333 PolarHBondContact O-N 3Å
334	H	82.5	Confident	84.4	Confident	87 Å²	87	76.4 Å²	76.4	40%	0.403	38%	0.375	S	S	.	.			trans	-139.4	122.6	-176.9	-64.3	76.4	0	0	0	111.8	S330	S330-H334 PolarHBondContact O-N 3.36Å
335	G	80.2	Confident	84	Confident	67 Å²	67	75.7 Å²	75.7	69%	0.691	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-76.6	137.5	169.4	0	0	0	0	0	111.9	P337	G335-P337 VanDerWaalsContact O-CD 3.31Å; G335-P337 WeakPolarHBondContact O-CD 3.47Å
336	M	82.6	Confident	83.4	Confident	23 Å²	23	74.8 Å²	74.8	11%	0.113	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-77.5	118.9	178.7	-172.9	161.9	68.8	0	0	111.2	V340 R341 L345 D604 W605	M336-V340 HydrophobicContact CG-CB 4.33Å; M336-V340 HydrophobicContact CG-CG1 4.28Å; M336-V340 HydrophobicContact SD-CG1 4.35Å; M336-R341 HydrophobicContact CE-CB 4.11Å; M336-R341 HydrophobicContact CE-CG 4.19Å; M336-R341 VanDerWaalsContact CE-NH2 3.32Å; M336-L345 HydrophobicContact CE-CD1 3.98Å; M336-D604 HydrophobicContact CE-CB 3.82Å; M336-D604 HydrophobicContact SD-CB 4.25Å; M336-W605 HydrophobicContact CB-CZ2 3.98Å; M336-W605 HydrophobicContact CG-CZ2 4.09Å
337	P	87.3	Confident	83.1	Confident	48 Å²	48	79.7 Å²	79.7	31%	0.312	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-63.7	143.9	177.8	-19.7	31.7	0	0	0	112	G335 W339 V340 R341	G335-P337 VanDerWaalsContact O-CD 3.31Å; G335-P337 WeakPolarHBondContact O-CD 3.47Å; P337-W339 VanDerWaalsContact CB-CD1 3.49Å; P337-W339 HydrophobicContact CB-CG 4.3Å; P337-W339 PolarHBondContact O-N 3.29Å; P337-V340 HydrophobicContact CB-CG2 4.03Å; P337-V340 HydrophobicContact CG-CG2 3.96Å; P337-V340 WeakPolarHBondContact O-CB 3.26Å; P337-V340 PolarHBondContact O-N 2.87Å; P337-V340 VanDerWaalsContact O-N 3.09Å; P337-R341 PolarHBondContact O-N 3.47Å
338	H	83	Confident	83	Confident	164 Å²	164	80 Å²	80	76%	0.759	40%	0.396	S	S	*	.	H	α-helix	trans	-60.8	-31.1	-179.2	-67.6	-70.3	0	0	0	113.6	R342	H338-R342 PolarHBondContact O-N 2.95Å
339	W	87.4	Confident	82.8	Confident	163 Å²	163	73.9 Å²	73.9	62%	0.617	37%	0.368	S	S	*	.	H	α-helix	trans	-69.8	-37.3	176.7	70.1	-97.5	0	0	0	112.1	P337 R341 R342 V343 F344	P337-W339 VanDerWaalsContact CB-CD1 3.49Å; P337-W339 HydrophobicContact CB-CG 4.3Å; P337-W339 PolarHBondContact O-N 3.29Å; W339-R341 VanDerWaalsContact C-N 3.32Å; W339-R341 PolarHBondContact O-N 3.42Å; W339-R342 PolarHBondContact O-N 3.46Å; W339-V343 WeakPolarHBondContact O-CG2 3.36Å; W339-V343 PolarHBondContact O-N 3.09Å; W339-F344 HydrophobicContact CZ3-CE2 4.24Å
340	V	86.9	Confident	82.5	Confident	8 Å²	8	79.6 Å²	79.6	5%	0.048	39%	0.389	C	S	.	.	H	α-helix	trans	-62.3	-43.9	176.4	175.2	0	0	0	0	109.7	M336 P337 R342 V343 F344 V608	M336-V340 HydrophobicContact CG-CB 4.33Å; M336-V340 HydrophobicContact CG-CG1 4.28Å; M336-V340 HydrophobicContact SD-CG1 4.35Å; P337-V340 HydrophobicContact CB-CG2 4.03Å; P337-V340 HydrophobicContact CG-CG2 3.96Å; P337-V340 WeakPolarHBondContact O-CB 3.26Å; P337-V340 PolarHBondContact O-N 2.87Å; P337-V340 VanDerWaalsContact O-N 3.09Å; V340-R342 PolarHBondContact O-N 3.04Å; V340-V343 PolarHBondContact O-N 3.39Å; V340-F344 HydrophobicContact CG1-CD2 3.9Å; V340-F344 WeakPolarHBondContact O-CB 3.24Å; V340-F344 PolarHBondContact O-N 3.23Å; V340-V608 HydrophobicContact CG1-CG1 4.24Å; V340-V608 HydrophobicContact CG1-CG2 4.28Å
341	R	83.3	Confident	82.7	Confident	92 Å²	92	82.8 Å²	82.8	35%	0.347	41%	0.407	S	S	.	.	I	π-helix	trans	-55.4	-51	175.9	-172.9	176.9	-72.7	-83.1	7.8	110.9	M336 P337 W339 L345 D604	M336-R341 HydrophobicContact CE-CB 4.11Å; M336-R341 HydrophobicContact CE-CG 4.19Å; M336-R341 VanDerWaalsContact CE-NH2 3.32Å; P337-R341 PolarHBondContact O-N 3.47Å; W339-R341 VanDerWaalsContact C-N 3.32Å; W339-R341 PolarHBondContact O-N 3.42Å; R341-L345 HydrophobicContact CG-CD1 4.05Å; R341-L345 WeakPolarHBondContact O-CA 3.47Å; R341-L345 WeakPolarHBondContact O-CB 3.48Å; R341-L345 PolarHBondContact O-N 3.41Å; R341-L345 VanDerWaalsContact O-N 3.09Å; R341-D604 IonicContact CZ-OD2 2.72Å; R341-D604 IonicContact NH1-OD2 2.93Å; R341-D604 PolarHBondContact NH1-OD2 3.33Å; R341-D604 IonicContact NH2-OD2 3.79Å
342	R	84.1	Confident	82.7	Confident	184 Å²	184	83.2 Å²	83.2	69%	0.694	41%	0.408	S	S	*	.	I	π-helix	trans	-67.8	-40.8	-178.6	-172.2	176	-76.8	143.6	-5.4	113	H338 W339 V340 D346 L347	H338-R342 PolarHBondContact O-N 2.95Å; W339-R342 PolarHBondContact O-N 3.46Å; V340-R342 PolarHBondContact O-N 3.04Å; R342-D346 WeakPolarHBondContact O-CB 3.36Å; R342-D346 PolarHBondContact O-N 3.3Å; R342-L347 PolarHBondContact O-N 3.49Å
343	V	86.3	Confident	83	Confident	53 Å²	53	84.2 Å²	84.2	32%	0.321	41%	0.412	S	S	.	.	I	π-helix	trans	-75.5	-56.2	-177	174.6	0	0	0	0	111.2	W339 V340 L347 V348	W339-V343 WeakPolarHBondContact O-CG2 3.36Å; W339-V343 PolarHBondContact O-N 3.09Å; V340-V343 PolarHBondContact O-N 3.39Å; V343-L347 WeakPolarHBondContact O-CB 3.17Å; V343-L347 PolarHBondContact O-N 3.24Å; V343-V348 HydrophobicContact CG1-CG2 4.07Å; V343-V348 WeakPolarHBondContact O-CG2 3.43Å; V343-V348 PolarHBondContact O-N 3.39Å
344	F	85.4	Confident	82.7	Confident	40 Å²	40	82 Å²	82	18%	0.175	40%	0.395	C	S	.	.	I	π-helix	trans	-85.8	-20.6	-170.6	-70.8	-80.8	0	0	0	114.3	W339 V340 P349 V608 V611 I612 I615	W339-F344 HydrophobicContact CZ3-CE2 4.24Å; V340-F344 HydrophobicContact CG1-CD2 3.9Å; V340-F344 WeakPolarHBondContact O-CB 3.24Å; V340-F344 PolarHBondContact O-N 3.23Å; F344-P349 VanDerWaalsContact O-CD 3.27Å; F344-P349 WeakPolarHBondContact O-CD 3.24Å; F344-P349 VanDerWaalsContact O-CG 3.23Å; F344-P349 WeakPolarHBondContact O-CG 3.47Å; F344-V608 HydrophobicContact CB-CB 4.36Å; F344-V608 HydrophobicContact CB-CG1 3.96Å; F344-V608 HydrophobicContact CB-CG2 3.83Å; F344-V608 HydrophobicContact CD1-CG1 4.32Å; F344-V608 HydrophobicContact CD2-CG1 4.34Å; F344-V608 HydrophobicContact CG-CG1 3.96Å; F344-V611 HydrophobicContact CD1-CG1 4.18Å; F344-I612 HydrophobicContact CD1-CD1 4.47Å; F344-I612 HydrophobicContact CD1-CG1 3.82Å; F344-I612 HydrophobicContact CE1-CD1 4.08Å; F344-I612 HydrophobicContact CE1-CG1 3.39Å; F344-I612 HydrophobicContact CZ-CD1 4.33Å; F344-I612 HydrophobicContact CZ-CG1 4.06Å; F344-I615 HydrophobicContact CE1-CD1 4.03Å
345	L	80.4	Confident	82.2	Confident	11 Å²	11	87.4 Å²	87.4	6%	0.058	42%	0.418	C	S	.	.	I	π-helix	trans	-99	-29.2	176.1	-54.9	-178.4	0	0	0	113.8	M336 R341 D604 Y607 V608	M336-L345 HydrophobicContact CE-CD1 3.98Å; R341-L345 HydrophobicContact CG-CD1 4.05Å; R341-L345 WeakPolarHBondContact O-CA 3.47Å; R341-L345 WeakPolarHBondContact O-CB 3.48Å; R341-L345 PolarHBondContact O-N 3.41Å; R341-L345 VanDerWaalsContact O-N 3.09Å; L345-D604 HydrophobicContact CD1-CB 4.11Å; L345-Y607 HydrophobicContact CD2-CD1 3.36Å; L345-Y607 HydrophobicContact CD2-CE1 3.92Å; L345-Y607 HydrophobicContact CD2-CG 4.36Å; L345-V608 HydrophobicContact CD2-CG2 3.88Å; L345-V608 HydrophobicContact CG-CG2 4.33Å
346	D	78.5	Confident	81.6	Confident	73 Å²	73	89.7 Å²	89.7	39%	0.39	41%	0.406	S	S	.	.	I	π-helix	trans	-109.1	-42	-175.9	-57.8	-43.3	0	0	0	114.1	R342 R350	R342-D346 WeakPolarHBondContact O-CB 3.36Å; R342-D346 PolarHBondContact O-N 3.3Å; D346-R350 VanDerWaalsContact O-CD 3.27Å; D346-R350 WeakPolarHBondContact O-CD 3.21Å; D346-R350 WeakPolarHBondContact O-CG 3.38Å; D346-R350 PolarHBondContact O-NE 3.24Å; D346-R350 VanDerWaalsContact O-NE 3.16Å
347	L	82.4	Confident	80.7	Confident	105 Å²	105	92.4 Å²	92.4	55%	0.55	43%	0.425	S	S	.	.	I	π-helix	trans	-85.9	-58.2	-173.8	-178	67.2	0	0	0	112.5	R342 V343 R350 V351	R342-L347 PolarHBondContact O-N 3.49Å; V343-L347 WeakPolarHBondContact O-CB 3.17Å; V343-L347 PolarHBondContact O-N 3.24Å; L347-R350 PolarHBondContact O-N 3.45Å; L347-V351 PolarHBondContact O-N 3.21Å
348	V	83.8	Confident	79.2	Confident	22 Å²	22	94.6 Å²	94.6	13%	0.133	44%	0.439	C	S	.	.	H	α-helix	trans	-64.4	-43	-171.9	176.9	0	0	0	0	113.2	V343 R350 V351 L352 V611 I615	V343-V348 HydrophobicContact CG1-CG2 4.07Å; V343-V348 WeakPolarHBondContact O-CG2 3.43Å; V343-V348 PolarHBondContact O-N 3.39Å; V348-R350 PolarHBondContact O-N 3.33Å; V348-V351 PolarHBondContact O-N 2.87Å; V348-V351 VanDerWaalsContact O-N 3.08Å; V348-L352 HydrophobicContact CG1-CD1 3.65Å; V348-L352 HydrophobicContact CG1-CG 4.18Å; V348-L352 PolarHBondContact O-N 3.47Å; V348-V611 HydrophobicContact CB-CG1 3.87Å; V348-V611 HydrophobicContact CG1-CG1 3.3Å; V348-I615 HydrophobicContact CB-CD1 4.49Å; V348-I615 HydrophobicContact CG1-CD1 3.5Å; V348-I615 VanDerWaalsContact CG1-CD1 3.5Å; V348-I615 HydrophobicContact CG1-CG1 3.64Å; V348-I615 HydrophobicContact CG2-CD1 4.23Å
349	P	81.4	Confident	77.9	Confident	8 Å²	8	88.2 Å²	88.2	5%	0.052	42%	0.417	C	S	.	.	H	α-helix	trans	-61.1	-29.1	177.9	-27.1	37.9	0	0	0	113.8	F344 F353 M354 Y607 V611	F344-P349 VanDerWaalsContact O-CD 3.27Å; F344-P349 WeakPolarHBondContact O-CD 3.24Å; F344-P349 VanDerWaalsContact O-CG 3.23Å; F344-P349 WeakPolarHBondContact O-CG 3.47Å; P349-F353 CarbonylContact O-C 3.53Å; P349-F353 PolarHBondContact O-N 3.47Å; P349-M354 HydrophobicContact CB-CB 4.24Å; P349-M354 PolarHBondContact O-N 2.93Å; P349-Y607 WeakPolarHBondContact CB-OH 3.49Å; P349-Y607 HydrophobicContact CG-CE1 3.81Å; P349-V611 HydrophobicContact CG-CG2 4.12Å
350	R	80.3	Confident	76.3	Confident	184 Å²	184	82.8 Å²	82.8	69%	0.694	40%	0.403	S	S	*	.	H	α-helix	trans	-70.1	-38.7	174.7	-67.5	179.6	-167	166.1	7.1	111.8	D346 L347 V348	D346-R350 VanDerWaalsContact O-CD 3.27Å; D346-R350 WeakPolarHBondContact O-CD 3.21Å; D346-R350 WeakPolarHBondContact O-CG 3.38Å; D346-R350 PolarHBondContact O-NE 3.24Å; D346-R350 VanDerWaalsContact O-NE 3.16Å; L347-R350 PolarHBondContact O-N 3.45Å; V348-R350 PolarHBondContact O-N 3.33Å
351	V	83.7	Confident	74.7	Confident	105 Å²	105	83.3 Å²	83.3	64%	0.636	41%	0.408	S	S	*	.	H	α-helix	trans	-68.9	-38.2	175.7	177.9	0	0	0	0	111.1	L347 V348 F353	L347-V351 PolarHBondContact O-N 3.21Å; V348-V351 PolarHBondContact O-N 2.87Å; V348-V351 VanDerWaalsContact O-N 3.08Å; V351-F353 VanDerWaalsContact C-N 3.34Å
352	L	78.6	Confident	73.2	Confident	37 Å²	37	87.4 Å²	87.4	19%	0.194	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	6.5	179.9	-67.7	177.1	0	0	0	114.4	V348 M354 V611 R614 I615	V348-L352 HydrophobicContact CG1-CD1 3.65Å; V348-L352 HydrophobicContact CG1-CG 4.18Å; V348-L352 PolarHBondContact O-N 3.47Å; L352-M354 HydrophobicContact CB-CG 4.09Å; L352-M354 HydrophobicContact CB-SD 4.33Å; L352-M354 HydrophobicContact CD1-SD 4.42Å; L352-M354 PolarHBondContact O-N 3.42Å; L352-M354 VanDerWaalsContact O-N 3.14Å; L352-V611 HydrophobicContact CD1-CG1 4.44Å; L352-R614 HydrophobicContact CD1-CB 3.84Å; L352-I615 HydrophobicContact CD1-CG1 3.77Å
353	F	81.2	Confident	71.9	Confident	194 Å²	194	84 Å²	84	85%	0.851	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	33.5	-176.1	-60.5	-73.5	0	0	0	114.9	P349 V351	P349-F353 CarbonylContact O-C 3.53Å; P349-F353 PolarHBondContact O-N 3.47Å; V351-F353 VanDerWaalsContact C-N 3.34Å
354	M	78.2	Confident	70.5	Confident	53 Å²	53	85.2 Å²	85.2	26%	0.261	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-89.1	126.7	177.4	-65.6	-178.8	75	0	0	110.6	P349 L352 V611 R614	P349-M354 HydrophobicContact CB-CB 4.24Å; P349-M354 PolarHBondContact O-N 2.93Å; L352-M354 HydrophobicContact CB-CG 4.09Å; L352-M354 HydrophobicContact CB-SD 4.33Å; L352-M354 HydrophobicContact CD1-SD 4.42Å; L352-M354 PolarHBondContact O-N 3.42Å; L352-M354 VanDerWaalsContact O-N 3.14Å; M354-V611 HydrophobicContact SD-CG2 4.26Å; M354-R614 HydrophobicContact CE-CG 4.04Å; M354-R614 HydrophobicContact SD-CB 4.09Å; M354-R614 HydrophobicContact SD-CG 3.8Å
355	K	70.7	Confident	69.2	Low	201 Å²	201	86.2 Å²	86.2	87%	0.874	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-83.2	127.6	168.1	-73.4	-177.9	179.1	176.5	0	109.3
356	R	68.9	Low	68.2	Low	115 Å²	115	92.4 Å²	92.4	43%	0.434	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-64.7	127.7	172.3	-170.3	176.6	179	-177.6	-2.6	108.5	D604 Y607	R356-D604 IonicContact CZ-OD1 3.63Å; R356-D604 IonicContact NH2-OD1 2.61Å; R356-D604 PolarHBondContact NH2-OD1 3.06Å; R356-D604 IonicContact NH2-OD2 3.58Å; R356-Y607 HydrophobicContact CG-CE2 4.39Å
357	P	62.1	Low	67.3	Low	80 Å²	80	94.7 Å²	94.7	52%	0.519	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-58.9	135.5	170	23	-29.5	0	0	0	108.5	G359 Y607	P357-G359 PolarHBondContact O-N 3.19Å; P357-Y607 HydrophobicContact CG-CD2 4.47Å
358	P	56.1	Low	66.3	Low	95 Å²	95	93.2 Å²	93.2	62%	0.617	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-58	124.4	178.1	23.5	-31.1	0	0	0	108.5	T360	P358-T360 PolarHBondContact O-N 3.26Å; P358-T360 VanDerWaalsContact O-N 3.13Å
359	G	57.2	Low	65.4	Low	29 Å²	29	96 Å²	96	30%	0.299	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-54.3	120	-177.1	0	0	0	0	0	110.7	P357 A361 K362 Q363	P357-G359 PolarHBondContact O-N 3.19Å; G359-A361 PolarHBondContact O-N 3.03Å; G359-K362 WeakPolarHBondContact O-CB 3.29Å; G359-K362 PolarHBondContact O-N 3.44Å; G359-Q363 PolarHBondContact O-N 3.01Å
360	T	52.4	Low	64.6	Low	50 Å²	50	101.8 Å²	101.8	31%	0.307	50%	0.498	S	S	.	.	H	α-helix	trans	-56.3	-35.4	-176.2	49.2	0	0	0	0	111.6	P358 K362 Q363 H364 F599 E603	P358-T360 PolarHBondContact O-N 3.26Å; P358-T360 VanDerWaalsContact O-N 3.13Å; T360-K362 VanDerWaalsContact C-N 3.3Å; T360-K362 PolarHBondContact O-N 3.43Å; T360-Q363 CarbonylContact O-C 3.5Å; T360-Q363 WeakPolarHBondContact O-CA 3.36Å; T360-Q363 WeakPolarHBondContact O-CB 3.44Å; T360-Q363 PolarHBondContact O-N 2.74Å; T360-H364 PolarHBondContact O-CD2 3.03Å; T360-H364 PolarHBondContact O-N 2.81Å; T360-F599 WeakPolarHBondContact OG1-CE1 3.47Å; T360-E603 VanDerWaalsContact OG1-CD 3.24Å; T360-E603 PolarHBondContact OG1-OE1 3.27Å; T360-E603 PolarHBondContact OG1-OE2 2.98Å
361	A	53.4	Low	63.5	Low	19 Å²	19	96.3 Å²	96.3	16%	0.157	48%	0.481	C	S	.	.	H	α-helix	trans	-57.5	-39.3	174.9	0	0	0	0	0	112.9	G359 Q363 C365	G359-A361 PolarHBondContact O-N 3.03Å; A361-Q363 VanDerWaalsContact C-N 3.27Å; A361-Q363 PolarHBondContact O-N 2.64Å; A361-C365 WeakPolarHBondContact O-CB 3.49Å; A361-C365 PolarHBondContact O-N 2.84Å
362	K	52.7	Low	62.3	Low	177 Å²	177	98.1 Å²	98.1	77%	0.77	48%	0.484	S	S	*	.	H	α-helix	trans	-72.7	-25.1	177.7	-149.3	175.4	-171.9	178.1	0	111.6	G359 T360 K366	G359-K362 WeakPolarHBondContact O-CB 3.29Å; G359-K362 PolarHBondContact O-N 3.44Å; T360-K362 VanDerWaalsContact C-N 3.3Å; T360-K362 PolarHBondContact O-N 3.43Å; K362-K366 WeakPolarHBondContact O-CB 3.35Å; K362-K366 PolarHBondContact O-N 2.81Å
363	Q	55.2	Low	61.3	Low	113 Å²	113	103.6 Å²	103.6	53%	0.528	51%	0.509	S	S	.	.	H	α-helix	trans	-82.9	-42.9	178.4	-130.8	161	-14.8	0	0	111.4	G359 T360 A361 K366 K367	G359-Q363 PolarHBondContact O-N 3.01Å; T360-Q363 CarbonylContact O-C 3.5Å; T360-Q363 WeakPolarHBondContact O-CA 3.36Å; T360-Q363 WeakPolarHBondContact O-CB 3.44Å; T360-Q363 PolarHBondContact O-N 2.74Å; A361-Q363 VanDerWaalsContact C-N 3.27Å; A361-Q363 PolarHBondContact O-N 2.64Å; Q363-K366 PolarHBondContact O-N 3.35Å; Q363-K367 WeakPolarHBondContact O-CB 3.3Å; Q363-K367 PolarHBondContact O-N 3.07Å
364	H	57.5	Low	59.8	Low	78 Å²	78	104.2 Å²	104.2	36%	0.361	51%	0.506	S	S	.	.	H	α-helix	trans	-64.5	-44.2	173.4	-85.6	-87.6	0	0	0	112	T360 K366 K367 L368	T360-H364 PolarHBondContact O-CD2 3.03Å; T360-H364 PolarHBondContact O-N 2.81Å; H364-K366 PolarHBondContact O-N 3.39Å; H364-K367 PolarHBondContact O-N 3.1Å; H364-L368 VanDerWaalsContact O-CB 3.28Å; H364-L368 WeakPolarHBondContact O-CB 3.49Å; H364-L368 PolarHBondContact O-N 3.4Å
365	C	58.5	Low	58.2	Low	61 Å²	61	107.1 Å²	107.1	41%	0.412	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-41.2	175.2	-164.6	0	0	0	0	111.3	A361 L368 I369	A361-C365 WeakPolarHBondContact O-CB 3.49Å; A361-C365 PolarHBondContact O-N 2.84Å; C365-L368 PolarHBondContact O-N 3.01Å; C365-I369 VanDerWaalsContact O-CB 3.26Å; C365-I369 WeakPolarHBondContact O-CB 3.38Å; C365-I369 WeakPolarHBondContact O-CD1 3.49Å; C365-I369 WeakPolarHBondContact O-CG1 3.28Å; C365-I369 PolarHBondContact O-N 3.02Å
366	K	59	Low	56.8	Low	141 Å²	141	103.2 Å²	103.2	61%	0.613	52%	0.521	S	S	*	.	H	α-helix	trans	-67.6	-36.2	176.5	-158.5	179.8	-167.3	-167	0	112.6	K362 Q363 H364 E370	K362-K366 WeakPolarHBondContact O-CB 3.35Å; K362-K366 PolarHBondContact O-N 2.81Å; Q363-K366 PolarHBondContact O-N 3.35Å; H364-K366 PolarHBondContact O-N 3.39Å; K366-E370 WeakPolarHBondContact O-CB 3.34Å; K366-E370 WeakPolarHBondContact O-CG 3.46Å; K366-E370 PolarHBondContact O-N 3.03Å
367	K	60.7	Low	55.2	Low	122 Å²	122	106.6 Å²	106.6	53%	0.53	54%	0.544	S	S	.	.	H	α-helix	trans	-73.5	-39.2	177.1	-150.2	175.8	-171	-173.7	0	111.7	Q363 H364 E370 M371 M398	Q363-K367 WeakPolarHBondContact O-CB 3.3Å; Q363-K367 PolarHBondContact O-N 3.07Å; H364-K367 PolarHBondContact O-N 3.1Å; K367-E370 PolarHBondContact O-N 2.99Å; K367-M371 WeakPolarHBondContact O-CB 3.45Å; K367-M371 WeakPolarHBondContact O-CG 3.48Å; K367-M371 PolarHBondContact O-N 3.28Å; K367-M398 HydrophobicContact CD-CE 4.24Å
368	L	61.8	Low	54.1	Low	73 Å²	73	109.5 Å²	109.5	38%	0.382	55%	0.554	S	S	.	*	H	α-helix	trans	-64.6	-43.1	171.2	-91.7	154.4	0	0	0	111.6	H364 C365 M371 M372	H364-L368 VanDerWaalsContact O-CB 3.28Å; H364-L368 WeakPolarHBondContact O-CB 3.49Å; H364-L368 PolarHBondContact O-N 3.4Å; C365-L368 PolarHBondContact O-N 3.01Å; L368-M371 PolarHBondContact O-N 2.99Å; L368-M372 WeakPolarHBondContact O-CB 3.39Å; L368-M372 WeakPolarHBondContact O-CG 3.4Å; L368-M372 PolarHBondContact O-N 3.29Å
369	I	64.2	Low	53.1	Low	82 Å²	82	110.2 Å²	110.2	42%	0.421	56%	0.561	S	S	.	*	H	α-helix	trans	-64.6	-42	174.6	-69.6	165.7	0	0	0	110.5	C365 M371 M372 H373	C365-I369 VanDerWaalsContact O-CB 3.26Å; C365-I369 WeakPolarHBondContact O-CB 3.38Å; C365-I369 WeakPolarHBondContact O-CD1 3.49Å; C365-I369 WeakPolarHBondContact O-CG1 3.28Å; C365-I369 PolarHBondContact O-N 3.02Å; I369-M371 VanDerWaalsContact C-N 3.34Å; I369-M371 PolarHBondContact O-N 3.13Å; I369-M372 HydrophobicContact CG1-CE 4.47Å; I369-M372 PolarHBondContact O-N 3.36Å; I369-H373 WeakPolarHBondContact O-CB 3.24Å; I369-H373 PolarHBondContact O-CD2 3.17Å; I369-H373 PolarHBondContact O-N 3.33Å
370	E	64.9	Low	52.4	Low	129 Å²	129	115 Å²	115	60%	0.603	59%	0.585	S	S	*	*	H	α-helix	trans	-63.1	-36.9	173	-87.4	178.6	165.2	0	0	112.8	K366 K367 R374	K366-E370 WeakPolarHBondContact O-CB 3.34Å; K366-E370 WeakPolarHBondContact O-CG 3.46Å; K366-E370 PolarHBondContact O-N 3.03Å; K367-E370 PolarHBondContact O-N 2.99Å; E370-R374 PolarHBondContact O-N 3.15Å; E370-R374 VanDerWaalsContact O-N 3.16Å
371	M	57.6	Low	51.8	Low	68 Å²	68	119.2 Å²	119.2	34%	0.335	61%	0.611	S	S	.	*	H	α-helix	trans	-71	-37.5	176.5	-73.7	173.1	74.1	0	0	112.1	K367 L368 I369 L391 E394 M398	K367-M371 WeakPolarHBondContact O-CB 3.45Å; K367-M371 WeakPolarHBondContact O-CG 3.48Å; K367-M371 PolarHBondContact O-N 3.28Å; L368-M371 PolarHBondContact O-N 2.99Å; I369-M371 VanDerWaalsContact C-N 3.34Å; I369-M371 PolarHBondContact O-N 3.13Å; M371-L391 HydrophobicContact CE-CD1 4.44Å; M371-E394 VanDerWaalsContact CE-OE2 3.25Å; M371-E394 WeakPolarHBondContact CE-OE2 3.31Å; M371-M398 HydrophobicContact SD-CE 3.9Å
372	M	56.8	Low	51.5	Low	143 Å²	143	126.4 Å²	126.4	70%	0.704	65%	0.647	S	S	*	*	H	α-helix	trans	-74.6	-29.6	175.4	-70.7	-167	-55.9	0	0	113.2	L368 I369	L368-M372 WeakPolarHBondContact O-CB 3.39Å; L368-M372 WeakPolarHBondContact O-CG 3.4Å; L368-M372 PolarHBondContact O-N 3.29Å; I369-M372 HydrophobicContact CG1-CE 4.47Å; I369-M372 PolarHBondContact O-N 3.36Å
373	H	58.5	Low	51.3	Low	152 Å²	152	123.1 Å²	123.1	70%	0.704	64%	0.637	S	S	*	*	S	Bend	trans	-90.6	1.3	177.7	-87.4	-81.3	0	0	0	114.4	I369 P375	I369-H373 WeakPolarHBondContact O-CB 3.24Å; I369-H373 PolarHBondContact O-CD2 3.17Å; I369-H373 PolarHBondContact O-N 3.33Å; H373-P375 VanDerWaalsContact O-CD 3.25Å; H373-P375 WeakPolarHBondContact O-CD 3.48Å
374	R	50.3	Low	50.7	Low	208 Å²	208	122.1 Å²	122.1	79%	0.785	64%	0.643	S	S	*	*	S	Bend	trans	-66.2	115.3	173	-167.5	179.4	-123.1	-125.8	2.7	108.5	E370 T376	E370-R374 PolarHBondContact O-N 3.15Å; E370-R374 VanDerWaalsContact O-N 3.16Å; R374-T376 PolarHBondContact O-N 3.22Å
375	P	43.5	Very low	50.2	Low	113 Å²	113	124.6 Å²	124.6	73%	0.734	66%	0.655	S	S	*	*			trans	-65	128.4	-175.7	23.8	-30.4	0	0	0	110.3	H373 M377	H373-P375 VanDerWaalsContact O-CD 3.25Å; H373-P375 WeakPolarHBondContact O-CD 3.48Å; P375-M377 PolarHBondContact O-N 3.09Å; P375-M377 VanDerWaalsContact O-N 3.08Å
376	T	41.9	Very low	49.7	Very low	120 Å²	120	125 Å²	125	74%	0.736	66%	0.662	S	S	*	*			trans	-57.8	105.4	169.4	-44.7	0	0	0	0	109.1	R374 I378	R374-T376 PolarHBondContact O-N 3.22Å; T376-I378 VanDerWaalsContact C-N 3.34Å; T376-I378 HydrophobicContact CG2-CG1 3.88Å; T376-I378 PolarHBondContact O-N 3.22Å; T376-I378 VanDerWaalsContact O-N 3.1Å
377	M	34.1	Very low	49.1	Very low	186 Å²	186	124.7 Å²	124.7	92%	0.916	66%	0.661	S	S	*	*			trans	-71.6	98.7	156.9	-84	-114.5	-149	0	0	106.9	P375 S379	P375-M377 PolarHBondContact O-N 3.09Å; P375-M377 VanDerWaalsContact O-N 3.08Å; M377-S379 PolarHBondContact O-N 3.26Å; M377-S379 VanDerWaalsContact O-N 3.15Å
378	I	40.8	Very low	48.4	Very low	141 Å²	141	126.3 Å²	126.3	72%	0.723	66%	0.664	S	S	*	*			trans	-69.2	103.9	171	-59.4	168	0	0	0	107	T376	T376-I378 VanDerWaalsContact C-N 3.34Å; T376-I378 HydrophobicContact CG2-CG1 3.88Å; T376-I378 PolarHBondContact O-N 3.22Å; T376-I378 VanDerWaalsContact O-N 3.1Å
379	S	35	Very low	47.8	Very low	110 Å²	110	128.1 Å²	128.1	77%	0.769	67%	0.673	S	S	*	*			trans	-104	117.2	150.4	-73.3	0	0	0	0	106.8	M377 T381	M377-S379 PolarHBondContact O-N 3.26Å; M377-S379 VanDerWaalsContact O-N 3.15Å; S379-T381 PolarHBondContact O-N 3.04Å; S379-T381 VanDerWaalsContact O-N 3.07Å
380	T	42.7	Very low	47.3	Very low	129 Å²	129	126 Å²	126	79%	0.791	67%	0.672	S	S	*	*			trans	-48.7	104.7	179.5	41.3	0	0	0	0	112.9
381	T	38.5	Very low	46.5	Very low	138 Å²	138	122.9 Å²	122.9	85%	0.847	66%	0.658	S	S	*	*			trans	-160.5	135.1	140.1	38	0	0	0	0	109.3	S379 N383	S379-T381 PolarHBondContact O-N 3.04Å; S379-T381 VanDerWaalsContact O-N 3.07Å; T381-N383 PolarHBondContact O-N 3.46Å
382	N	47.8	Very low	45.9	Very low	171 Å²	171	124.1 Å²	124.1	91%	0.914	67%	0.667	S	S	*	*			trans	-55.4	105.3	175.7	-83.3	-19.7	0	0	0	111
383	N	47.6	Very low	45.6	Very low	108 Å²	108	121.5 Å²	121.5	58%	0.578	66%	0.659	S	S	*	*			trans	-161.5	93.3	147.5	-123	-5.9	0	0	0	111.8	T381 Q385	T381-N383 PolarHBondContact O-N 3.46Å; N383-Q385 PolarHBondContact O-N 2.93Å
384	S	44.1	Very low	45.1	Very low	91 Å²	91	119.3 Å²	119.3	64%	0.636	65%	0.649	S	S	*	*	H	α-helix	trans	-62.3	-20.2	170.9	49.3	0	0	0	0	112.5
385	Q	45.8	Very low	44.9	Very low	131 Å²	131	113.6 Å²	113.6	61%	0.612	63%	0.633	S	S	*	*	H	α-helix	trans	-73.4	-31.2	-179.2	-80.1	176	-31.4	0	0	114.7	N383 F387 I389	N383-Q385 PolarHBondContact O-N 2.93Å; Q385-F387 VanDerWaalsContact C-N 3.3Å; Q385-F387 PolarHBondContact O-N 3.01Å; Q385-I389 WeakPolarHBondContact O-CD1 3.42Å; Q385-I389 WeakPolarHBondContact O-CG1 3.39Å; Q385-I389 PolarHBondContact O-N 3.25Å; Q385-I389 VanDerWaalsContact O-N 3.16Å
386	A	48.3	Very low	44.9	Very low	68 Å²	68	116.9 Å²	116.9	56%	0.562	63%	0.631	S	S	*	*	H	α-helix	trans	-70.7	-28.2	-179.3	0	0	0	0	0	112.7	G390	A386-G390 PolarHBondContact O-N 2.61Å
387	F	47.2	Very low	45.1	Very low	136 Å²	136	117.5 Å²	117.5	60%	0.596	63%	0.626	S	S	*	*	H	α-helix	trans	-69.5	-48.7	175.8	177.3	-100.6	0	0	0	112	Q385 I389 G390 L391	Q385-F387 VanDerWaalsContact C-N 3.3Å; Q385-F387 PolarHBondContact O-N 3.01Å; F387-I389 PolarHBondContact O-N 3.39Å; F387-G390 PolarHBondContact O-N 3.49Å; F387-L391 PolarHBondContact O-N 2.83Å
388	W	44.9	Very low	45.3	Very low	155 Å²	155	111 Å²	111	59%	0.587	59%	0.593	S	S	*	*	H	α-helix	trans	-67.1	-35.3	179.9	-65.8	114.4	0	0	0	112.5	L391 D392	W388-L391 HydrophobicContact CE3-CD2 4.02Å; W388-L391 HydrophobicContact CZ3-CD2 3.9Å; W388-L391 PolarHBondContact O-N 2.94Å; W388-D392 WeakPolarHBondContact O-CB 3.43Å; W388-D392 PolarHBondContact O-N 3.34Å
389	I	49.6	Very low	45.1	Very low	111 Å²	111	109.5 Å²	109.5	57%	0.569	59%	0.591	S	S	*	*	H	α-helix	trans	-67.6	-39.2	175.6	-66.8	167	0	0	0	111.3	Q385 F387 T393	Q385-I389 WeakPolarHBondContact O-CD1 3.42Å; Q385-I389 WeakPolarHBondContact O-CG1 3.39Å; Q385-I389 PolarHBondContact O-N 3.25Å; Q385-I389 VanDerWaalsContact O-N 3.16Å; F387-I389 PolarHBondContact O-N 3.39Å; I389-T393 WeakPolarHBondContact O-CB 3.28Å; I389-T393 PolarHBondContact O-N 2.83Å; I389-T393 VanDerWaalsContact O-N 3.13Å; I389-T393 PolarHBondContact O-OG1 3.48Å
390	G	52.6	Low	45	Very low	39 Å²	39	111.4 Å²	111.4	40%	0.402	59%	0.588	S	S	.	*	H	α-helix	trans	-66.6	-41.7	175.3	0	0	0	0	0	113.1	A386 F387 T393 E394	A386-G390 PolarHBondContact O-N 2.61Å; F387-G390 PolarHBondContact O-N 3.49Å; G390-T393 PolarHBondContact O-N 3.23Å; G390-E394 PolarHBondContact O-N 3.23Å
391	L	48.9	Very low	44.5	Very low	62 Å²	62	110.1 Å²	110.1	33%	0.325	58%	0.58	S	S	.	*	H	α-helix	trans	-65.9	-42.3	177.2	-168.6	69.9	0	0	0	111.9	M371 F387 W388 T393 E394 L395	M371-L391 HydrophobicContact CE-CD1 4.44Å; F387-L391 PolarHBondContact O-N 2.83Å; W388-L391 HydrophobicContact CE3-CD2 4.02Å; W388-L391 HydrophobicContact CZ3-CD2 3.9Å; W388-L391 PolarHBondContact O-N 2.94Å; L391-T393 VanDerWaalsContact C-N 3.3Å; L391-T393 PolarHBondContact O-N 3.36Å; L391-E394 PolarHBondContact O-N 3.47Å; L391-L395 WeakPolarHBondContact O-CB 3.21Å; L391-L395 PolarHBondContact O-N 2.83Å
392	D	44.3	Very low	44.1	Very low	95 Å²	95	109.7 Å²	109.7	51%	0.508	57%	0.573	S	S	.	*	H	α-helix	trans	-64.9	-32.6	176	-90.9	-16.6	0	0	0	112.7	W388 R396	W388-D392 WeakPolarHBondContact O-CB 3.43Å; W388-D392 PolarHBondContact O-N 3.34Å; D392-R396 WeakPolarHBondContact O-CB 3.35Å; D392-R396 WeakPolarHBondContact O-CD 3.46Å; D392-R396 WeakPolarHBondContact O-CG 3.43Å; D392-R396 PolarHBondContact O-N 2.9Å
393	T	50.5	Low	43.4	Very low	87 Å²	87	108.8 Å²	108.8	53%	0.534	57%	0.568	S	S	.	*	H	α-helix	trans	-73.7	-36.2	179.4	-47.2	0	0	0	0	111.5	I389 G390 L391 Q397	I389-T393 WeakPolarHBondContact O-CB 3.28Å; I389-T393 PolarHBondContact O-N 2.83Å; I389-T393 VanDerWaalsContact O-N 3.13Å; I389-T393 PolarHBondContact O-OG1 3.48Å; G390-T393 PolarHBondContact O-N 3.23Å; L391-T393 VanDerWaalsContact C-N 3.3Å; L391-T393 PolarHBondContact O-N 3.36Å; T393-Q397 PolarHBondContact O-N 2.96Å
394	E	49.6	Very low	42.4	Very low	106 Å²	106	109.9 Å²	109.9	50%	0.495	58%	0.578	S	S	.	*	H	α-helix	trans	-78.8	-34.3	175.2	-79.7	-157.4	147.4	0	0	113.7	M371 G390 L391 R396 Q397 M398	M371-E394 VanDerWaalsContact CE-OE2 3.25Å; M371-E394 WeakPolarHBondContact CE-OE2 3.31Å; G390-E394 PolarHBondContact O-N 3.23Å; L391-E394 PolarHBondContact O-N 3.47Å; E394-R396 VanDerWaalsContact C-N 3.29Å; E394-R396 PolarHBondContact O-N 2.87Å; E394-Q397 WeakPolarHBondContact O-CA 3.14Å; E394-Q397 WeakPolarHBondContact O-CB 3.47Å; E394-Q397 PolarHBondContact O-N 3.4Å; E394-M398 PolarHBondContact O-N 3.3Å; E394-M398 VanDerWaalsContact O-N 3.14Å
395	L	45.7	Very low	41.5	Very low	89 Å²	89	112.2 Å²	112.2	47%	0.466	58%	0.583	S	S	.	*	H	α-helix	trans	-66.6	-33.4	175.2	-148.9	81.5	0	0	0	111.5	L391 Q397 M398 T399	L391-L395 WeakPolarHBondContact O-CB 3.21Å; L391-L395 PolarHBondContact O-N 2.83Å; L395-Q397 VanDerWaalsContact C-N 3.3Å; L395-M398 PolarHBondContact O-N 3.17Å; L395-T399 PolarHBondContact O-N 3.46Å; L395-T399 PolarHBondContact O-OG1 3.02Å
396	R	43.8	Very low	40.7	Very low	182 Å²	182	111.6 Å²	111.6	69%	0.687	59%	0.59	S	S	*	*	H	α-helix	trans	-65.4	-29.7	169.4	-77.8	175.3	-179.7	-118.6	1.8	113.1	D392 E394 T399 Q400	D392-R396 WeakPolarHBondContact O-CB 3.35Å; D392-R396 WeakPolarHBondContact O-CD 3.46Å; D392-R396 WeakPolarHBondContact O-CG 3.43Å; D392-R396 PolarHBondContact O-N 2.9Å; E394-R396 VanDerWaalsContact C-N 3.29Å; E394-R396 PolarHBondContact O-N 2.87Å; R396-T399 WeakPolarHBondContact CA-OG1 3.31Å; R396-T399 PolarHBondContact O-OG1 3.01Å; R396-Q400 PolarHBondContact O-N 2.88Å
397	Q	45.1	Very low	39.5	Very low	133 Å²	133	118.3 Å²	118.3	62%	0.621	61%	0.607	S	S	*	*	H	α-helix	trans	-74.2	-32.3	174	-110.2	175.6	4	0	0	112.9	T393 E394 L395 Q400 T401	T393-Q397 PolarHBondContact O-N 2.96Å; E394-Q397 WeakPolarHBondContact O-CA 3.14Å; E394-Q397 WeakPolarHBondContact O-CB 3.47Å; E394-Q397 PolarHBondContact O-N 3.4Å; L395-Q397 VanDerWaalsContact C-N 3.3Å; Q397-Q400 PolarHBondContact O-N 3.3Å; Q397-T401 PolarHBondContact O-OG1 3.08Å
398	M	38.3	Very low	38.5	Very low	48 Å²	48	117.9 Å²	117.9	24%	0.236	62%	0.616	C	S	.	*	H	α-helix	trans	-71	-33.1	173.7	-80.8	-166.7	-162	0	0	113.5	K367 M371 E394 L395 Q400 T401	K367-M398 HydrophobicContact CD-CE 4.24Å; M371-M398 HydrophobicContact SD-CE 3.9Å; E394-M398 PolarHBondContact O-N 3.3Å; E394-M398 VanDerWaalsContact O-N 3.14Å; L395-M398 PolarHBondContact O-N 3.17Å; M398-Q400 VanDerWaalsContact C-N 3.26Å; M398-Q400 PolarHBondContact O-N 3.11Å; M398-T401 PolarHBondContact O-OG1 2.92Å
399	T	36.8	Very low	37.4	Very low	110 Å²	110	117.5 Å²	117.5	68%	0.675	63%	0.631	S	S	*	*	H	α-helix	trans	-76.4	-13.4	176.5	30.6	0	0	0	0	113	L395 R396	L395-T399 PolarHBondContact O-N 3.46Å; L395-T399 PolarHBondContact O-OG1 3.02Å; R396-T399 WeakPolarHBondContact CA-OG1 3.31Å; R396-T399 PolarHBondContact O-OG1 3.01Å
400	Q	32.8	Very low	36.2	Very low	151 Å²	151	118.4 Å²	118.4	71%	0.706	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-94	-2	-177.6	-153.3	162	11.1	0	0	113.9	R396 Q397 M398 D402	R396-Q400 PolarHBondContact O-N 2.88Å; Q397-Q400 PolarHBondContact O-N 3.3Å; M398-Q400 VanDerWaalsContact C-N 3.26Å; M398-Q400 PolarHBondContact O-N 3.11Å; Q400-D402 VanDerWaalsContact C-N 3.32Å
401	T	31.7	Very low	34.8	Very low	101 Å²	101	124 Å²	124	62%	0.62	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-86.6	2.9	179.9	-6.4	0	0	0	0	114.2	Q397 M398	Q397-T401 PolarHBondContact O-OG1 3.08Å; M398-T401 PolarHBondContact O-OG1 2.92Å
402	D	31.1	Very low	33.6	Very low	130 Å²	130	126.5 Å²	126.5	70%	0.695	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-91.3	9.5	-178	-116	-4.5	0	0	0	114.6	Q400	Q400-D402 VanDerWaalsContact C-N 3.32Å
403	N	33	Very low	32.9	Very low	152 Å²	152	127.9 Å²	127.9	81%	0.813	70%	0.699	S	S	*	*	S	Bend	trans	-139.9	73.1	170.9	-79	-35.6	0	0	0	111.3
404	T	26.2	Very low	31.6	Very low	130 Å²	130	135.1 Å²	135.1	80%	0.798	72%	0.716	S	S	*	*			trans	-163.6	121.5	155	0.3	0	0	0	0	113.4
405	L	25.8	Very low	30.4	Very low	140 Å²	140	137.7 Å²	137.7	73%	0.733	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-67.7	149.3	164.9	-172.4	70.7	0	0	0	110.4
406	P	28.6	Very low	29.4	Very low	118 Å²	118	140.4 Å²	140.4	77%	0.766	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-77.6	137.4	-169.1	29.9	-33.9	0	0	0	113.2
407	K	24.1	Very low	28.5	Very low	209 Å²	209	138.1 Å²	138.1	91%	0.909	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-89.5	122.6	162.6	-78.8	-179.1	176.9	176.7	0	109.6
408	T	24.6	Very low	27.6	Very low	128 Å²	128	137 Å²	137	79%	0.785	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-64.7	136.8	156.3	34.3	0	0	0	0	110.1
409	T	21.6	Very low	26.9	Very low	147 Å²	147	140.3 Å²	140.3	90%	0.902	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-66.6	124	168.1	16.1	0	0	0	0	110.5
410	T	24.6	Very low	26.6	Very low	130 Å²	130	141.1 Å²	141.1	80%	0.798	79%	0.793	S	S	*	*			trans	-137.8	123	158.5	-31.7	0	0	0	0	108.3
411	D	24.7	Very low	26.2	Very low	156 Å²	156	139.4 Å²	139.4	83%	0.834	80%	0.798	S	S	*	*			trans	-60.2	131.6	168.7	-95.8	-37.7	0	0	0	111.7
412	S	22.8	Very low	26.3	Very low	115 Å²	115	140.1 Å²	140.1	80%	0.804	80%	0.804	S	S	*	*			trans	166.2	158.1	133.4	-86.8	0	0	0	0	113.1
413	P	29.2	Very low	26.3	Very low	124 Å²	124	139.4 Å²	139.4	81%	0.805	81%	0.807	S	S	*	*			trans	-94.2	165.7	-146.7	36	-34.1	0	0	0	116.4
414	R	23.5	Very low	25.8	Very low	238 Å²	238	137.1 Å²	137.1	90%	0.898	80%	0.803	S	S	*	*			trans	-56.6	138.4	-174.1	-64.8	174.3	175	178.6	-2.4	115.4
415	I	24.8	Very low	25.7	Very low	160 Å²	160	135.5 Å²	135.5	82%	0.821	80%	0.796	S	S	*	*			trans	-128.6	127.7	145.2	-65.1	-179.3	0	0	0	108.2
416	L	25.4	Very low	25.5	Very low	147 Å²	147	138.4 Å²	138.4	77%	0.77	80%	0.803	S	S	*	*			trans	-86.2	130.4	-178.3	-141.9	100.2	0	0	0	109.2
417	V	23.7	Very low	25.2	Very low	133 Å²	133	142.5 Å²	142.5	81%	0.806	80%	0.804	S	S	*	*			trans	-135.4	115.9	162	-179.7	0	0	0	0	108.1
418	C	25.4	Very low	25.2	Very low	110 Å²	110	139 Å²	139	74%	0.743	79%	0.79	S	S	*	*			trans	-104.6	133.1	168.5	-79.2	0	0	0	0	109.3
419	S	23.7	Very low	25.1	Very low	118 Å²	118	139.1 Å²	139.1	83%	0.825	79%	0.786	S	S	*	*			trans	-82.6	147.1	167.5	-55.5	0	0	0	0	110.9
420	P	30.4	Very low	25.3	Very low	127 Å²	127	140 Å²	140	83%	0.825	78%	0.78	S	S	*	*			trans	-114	156.4	175.6	38.2	-28	0	0	0	113.8
421	S	24.3	Very low	25.2	Very low	115 Å²	115	138.3 Å²	138.3	80%	0.804	77%	0.772	S	S	*	*			trans	-159	167.4	147.3	66.1	0	0	0	0	108.7
422	P	35.7	Very low	25.2	Very low	116 Å²	116	136.9 Å²	136.9	75%	0.753	77%	0.765	S	S	*	*				-114.6	-179.7	-102.2	42.3	-26.3	0	0	0	112.2
423	P	30.6	Very low	25.2	Very low	115 Å²	115	137.4 Å²	137.4	75%	0.747	76%	0.759	S	S	*	*				-155.1	172.8	74.3	37.5	-13.9	0	0	0	118.3
424	S	22.6	Very low	25	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	76%	0.76	S	S	*	*			trans	77.1	122.1	145.8	60.2	0	0	0	0	124.6
425	S	23.2	Very low	26	Very low	96 Å²	96	133.3 Å²	133.3	67%	0.671	75%	0.747	S	S	*	*			trans	81.4	117.2	136.5	58.7	0	0	0	0	122.2
426	F	21.5	Very low	26.1	Very low	200 Å²	200	133.2 Å²	133.2	88%	0.877	75%	0.747	S	S	*	*			trans	46.9	133.3	136	-67.3	-84.5	0	0	0	117.9
427	R	23.6	Very low	26.1	Very low	205 Å²	205	129.9 Å²	129.9	77%	0.774	74%	0.736	S	S	*	*			cis	-178.6	147	38.3	-153.8	175.3	139.9	-179.3	-7.3	109.5
428	E	24	Very low	26.2	Very low	134 Å²	134	128.7 Å²	128.7	63%	0.626	73%	0.729	S	S	*	*			trans	41	133.3	147.4	-71.3	170.7	162.3	0	0	124.9
429	D	22.7	Very low	26.3	Very low	131 Å²	131	129.7 Å²	129.7	70%	0.701	73%	0.727	S	S	*	*			trans	93.8	104	131.9	-75.4	-11.7	0	0	0	123.9
430	H	24.6	Very low	26.6	Very low	165 Å²	165	130.4 Å²	130.4	76%	0.764	72%	0.72	S	S	*	*				64.3	131.2	116.6	-100.6	-55.9	0	0	0	123.8
431	C	23.7	Very low	26.4	Very low	95 Å²	95	132.5 Å²	132.5	64%	0.642	72%	0.717	S	S	*	*			trans	88.4	111.7	139.2	-82.6	0	0	0	0	121
432	N	24.1	Very low	26.5	Very low	126 Å²	126	134.9 Å²	134.9	67%	0.674	72%	0.715	S	S	*	*				120.9	136.5	103.5	-97.7	23.9	0	0	0	120.1
433	D	23	Very low	26	Very low	127 Å²	127	140.5 Å²	140.5	68%	0.679	72%	0.721	S	S	*	*			trans	79.9	96.6	144.2	-58.8	-33.3	0	0	0	121.1
434	H	23.8	Very low	25.8	Very low	181 Å²	181	139.9 Å²	139.9	84%	0.838	72%	0.72	S	S	*	*				24.6	166.9	108.9	-91.5	-28.6	0	0	0	120.1
435	P	46.2	Very low	26.1	Very low	94 Å²	94	139.4 Å²	139.4	61%	0.61	72%	0.722	S	S	*	*			cis	-147.7	-158.4	-39.4	38.8	-18.4	0	0	0	113.1
436	L	26	Very low	26.4	Very low	158 Å²	158	140 Å²	140	83%	0.827	73%	0.726	S	S	*	*			trans	81.3	142.9	156.8	-103.2	90.5	0	0	0	116.7
437	S	25	Very low	26.7	Very low	78 Å²	78	133.8 Å²	133.8	55%	0.545	71%	0.711	S	S	.	*			cis	-173.9	151.7	4.1	60.3	0	0	0	0	112.1
438	T	25.3	Very low	27	Very low	107 Å²	107	132.4 Å²	132.4	66%	0.656	71%	0.711	S	S	*	*			trans	61.3	146.9	130.6	58.6	0	0	0	0	119.8
439	N	28.3	Very low	27.2	Very low	131 Å²	131	135.6 Å²	135.6	70%	0.701	72%	0.719	S	S	*	*			cis	-179.9	167.1	4.9	-100.2	-19.3	0	0	0	103.8
440	I	29.3	Very low	27.3	Very low	133 Å²	133	134.2 Å²	134.2	68%	0.682	72%	0.72	S	S	*	*				176.3	137.6	60.5	-118.8	134.1	0	0	0	108.3
441	F	26.3	Very low	27.5	Very low	172 Å²	172	133.5 Å²	133.5	75%	0.754	73%	0.726	S	S	*	*			trans	59.5	120.6	150.4	-72.9	-107.2	0	0	0	122.5
442	H	27	Very low	27.7	Very low	164 Å²	164	136.4 Å²	136.4	76%	0.759	74%	0.735	S	S	*	*			cis	102.9	118.6	46.2	-100.8	-74	0	0	0	111.4
443	R	25.3	Very low	27.7	Very low	234 Å²	234	136.9 Å²	136.9	88%	0.883	74%	0.742	S	S	*	*				-179.5	118.4	97	-158.3	164.7	-162.4	173.5	4.4	112.6
444	S	26.5	Very low	27.8	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	75%	0.751	S	S	*	*			trans	37.7	149	138.9	-60.4	0	0	0	0	121.7
445	A	29.9	Very low	27.9	Very low	94 Å²	94	140.3 Å²	140.3	78%	0.777	75%	0.752	S	S	*	*			cis	177.3	163.2	0.2	0	0	0	0	0	104.2
446	S	28.8	Very low	26.9	Very low	107 Å²	107	144.8 Å²	144.8	75%	0.748	76%	0.764	S	S	*	*			cis	-175.1	124.5	5.1	151.6	0	0	0	0	103.7
447	A	28.2	Very low	26.7	Very low	70 Å²	70	141.7 Å²	141.7	58%	0.579	76%	0.755	S	S	*	*				82.3	119	91.6	0	0	0	0	0	113.9
448	K	29.5	Very low	26.8	Very low	177 Å²	177	145.6 Å²	145.6	77%	0.77	77%	0.769	S	S	*	*				78.6	138.7	93	-70	-179.9	-179.2	-179.9	0	111.8
449	Y	28.2	Very low	26.8	Very low	201 Å²	201	152 Å²	152	79%	0.788	78%	0.781	S	S	*	*				-163.8	151.8	66.2	-98.7	-90.3	0	0	0	114.9
450	S	25.2	Very low	26.5	Very low	102 Å²	102	149.3 Å²	149.3	71%	0.713	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-84.1	152.6	162.5	48.5	0	0	0	0	112.2
451	V	28.8	Very low	26.4	Very low	150 Å²	150	151.3 Å²	151.3	91%	0.909	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-76.8	139.1	-178.6	172.5	0	0	0	0	112.4
452	L	26.4	Very low	26.4	Very low	156 Å²	156	149.7 Å²	149.7	82%	0.817	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-100.2	142.1	178.6	-103	156.7	0	0	0	111.2
453	T	25.3	Very low	26.3	Very low	136 Å²	136	147.8 Å²	147.8	83%	0.834	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-96.8	135.5	163.2	-47.4	0	0	0	0	108.2
454	E	25	Very low	26.4	Very low	183 Å²	183	141 Å²	141	86%	0.855	79%	0.79	S	S	*	*			trans	-145.1	138	165.5	-144.8	174.6	-162.2	0	0	112.3
455	K	25.4	Very low	26.3	Very low	197 Å²	197	142.9 Å²	142.9	86%	0.857	80%	0.796	S	S	*	*			trans	-109.8	136.9	172.7	-119.9	-178.8	-178.5	176.6	0	106.2
456	H	25.4	Very low	26.2	Very low	188 Å²	188	146.5 Å²	146.5	87%	0.87	80%	0.799	S	S	*	*			trans	-153.2	146.4	148.2	-124.2	-84.2	0	0	0	112.9
457	S	22.4	Very low	25.9	Very low	92 Å²	92	147.5 Å²	147.5	64%	0.643	81%	0.805	S	S	*	*			trans	-103.4	148.3	-176.2	174.4	0	0	0	0	110.8
458	L	27	Very low	25.7	Very low	160 Å²	160	148.3 Å²	148.3	84%	0.838	81%	0.812	S	S	*	*				166	135.6	116.8	-97.1	148.2	0	0	0	114.3
459	R	23.9	Very low	25.6	Very low	241 Å²	241	144.6 Å²	144.6	91%	0.909	81%	0.808	S	S	*	*			trans	121.8	108.6	130.8	-153.5	170	-164.7	172.3	3.1	116.8
460	G	22.8	Very low	25.5	Very low	75 Å²	75	143.2 Å²	143.2	77%	0.773	81%	0.809	S	S	*	*			trans	-159.5	125.1	159.2	0	0	0	0	0	110
461	H	27	Very low	25.5	Very low	176 Å²	176	144.8 Å²	144.8	82%	0.815	81%	0.808	S	S	*	*			trans	-105.8	131.1	177.4	-104.2	30.6	0	0	0	110.2
462	N	26.3	Very low	25.3	Very low	138 Å²	138	141.7 Å²	141.7	74%	0.738	79%	0.794	S	S	*	*			trans	24	127.1	145	-56.1	-11.1	0	0	0	120.5
463	S	25.5	Very low	25.4	Very low	124 Å²	124	141.6 Å²	141.6	87%	0.867	79%	0.793	S	S	*	*				177.5	151.6	96	-67.9	0	0	0	0	112
464	A	26.5	Very low	25.9	Very low	92 Å²	92	140 Å²	140	76%	0.76	79%	0.785	S	S	*	*			trans	-62.6	164.6	-170	0	0	0	0	0	116.4
465	T	25	Very low	27	Very low	141 Å²	141	135.8 Å²	135.8	87%	0.865	77%	0.773	S	S	*	*				173.7	140	105.8	-51.3	0	0	0	0	110.3
466	M	27.2	Very low	27.1	Very low	170 Å²	170	132.2 Å²	132.2	84%	0.837	77%	0.769	S	S	*	*			trans	-70.3	154.4	172.2	-61.4	-156.6	79.4	0	0	113
467	C	22.4	Very low	27.2	Very low	129 Å²	129	131.1 Å²	131.1	87%	0.872	77%	0.768	S	S	*	*				-172.4	135.3	128.1	-107.5	0	0	0	0	112.3
468	A	25.5	Very low	28	Very low	87 Å²	87	131.9 Å²	131.9	72%	0.719	77%	0.771	S	S	*	*			trans	-61.1	164.3	155.4	0	0	0	0	0	109.2
469	S	27	Very low	27.9	Very low	99 Å²	99	132.8 Å²	132.8	69%	0.692	78%	0.776	S	S	*	*				169.1	146.1	56.9	35.8	0	0	0	0	107.9
470	Q	25.7	Very low	27.9	Very low	172 Å²	172	128.4 Å²	128.4	80%	0.804	77%	0.77	S	S	*	*			trans	50.1	144.9	135.3	-56.2	-168.7	-8.8	0	0	119.9
471	L	24.6	Very low	28	Very low	134 Å²	134	129.2 Å²	129.2	70%	0.702	76%	0.764	S	S	*	*				178.6	130.2	57.5	-117.9	123.6	0	0	0	104.3
472	S	26.2	Very low	27.9	Very low	86 Å²	86	131.4 Å²	131.4	60%	0.601	77%	0.772	S	S	*	*				92.1	144.5	95.2	84.8	0	0	0	0	112.3
473	L	27.9	Very low	27.9	Very low	154 Å²	154	132.5 Å²	132.5	81%	0.806	77%	0.772	S	S	*	*			cis	-173.6	-179	44.9	-110.8	145.7	0	0	0	109.1
474	P	35.7	Very low	27.8	Very low	101 Å²	101	133 Å²	133	66%	0.656	77%	0.765	S	S	*	*			trans	-131	-127.2	-137.9	35.6	-7	0	0	0	111
475	P	47.3	Very low	27.6	Very low	95 Å²	95	136.4 Å²	136.4	62%	0.617	77%	0.769	S	S	*	*			cis	-136.8	170.1	-31.8	32.7	-10.7	0	0	0	117.6
476	T	28.5	Very low	27.5	Very low	123 Å²	123	134.3 Å²	134.3	76%	0.755	76%	0.761	S	S	*	*			trans	54.4	133.3	141.6	59.9	0	0	0	0	122.5
477	L	27.9	Very low	27.3	Very low	164 Å²	164	131.6 Å²	131.6	86%	0.859	76%	0.759	S	S	*	*				-174.7	168.2	71.2	-97	168.8	0	0	0	111.5
478	P	37.9	Very low	27.4	Very low	109 Å²	109	134.7 Å²	134.7	71%	0.708	76%	0.76	S	S	*	*			trans	-105.4	173.8	-164.6	41.5	-33.7	0	0	0	115.3
479	L	26.4	Very low	27.4	Very low	179 Å²	179	139.5 Å²	139.5	94%	0.937	77%	0.768	S	S	*	*			trans	-142.6	142	166.8	-152.5	74.8	0	0	0	113.5
480	D	23.1	Very low	27.5	Very low	149 Å²	149	140.3 Å²	140.3	80%	0.797	77%	0.771	S	S	*	*			trans	-76.2	166.6	-166.8	-90.8	-42	0	0	0	118.3
481	S	23.9	Very low	27.5	Very low	92 Å²	92	137.5 Å²	137.5	64%	0.643	77%	0.77	S	S	*	*			trans	-25.4	149.1	163.5	52.8	0	0	0	0	121.7
482	F	25.1	Very low	27.5	Very low	221 Å²	221	136.2 Å²	136.2	97%	0.969	77%	0.772	S	S	*	*			trans	-136.4	143.9	144.5	-96.6	-80.7	0	0	0	112.7
483	H	26	Very low	27.5	Very low	161 Å²	161	140.2 Å²	140.2	75%	0.745	79%	0.786	S	S	*	*			trans	-84.4	150.4	-172.7	-102.3	-76.9	0	0	0	115.3
484	N	23.7	Very low	27.4	Very low	135 Å²	135	137.6 Å²	137.6	72%	0.722	78%	0.781	S	S	*	*			trans	35.9	134.7	137.3	-69.4	-11.2	0	0	0	123.2
485	L	23.6	Very low	26.9	Very low	163 Å²	163	139.8 Å²	139.8	85%	0.853	79%	0.786	S	S	*	*				-166.1	127.6	119	-111.8	136.4	0	0	0	114.6
486	S	23	Very low	25.9	Very low	97 Å²	97	142.3 Å²	142.3	68%	0.678	79%	0.794	S	S	*	*			trans	49.9	114.8	147.1	51.5	0	0	0	0	121.1
487	S	22.7	Very low	25.7	Very low	114 Å²	114	140.2 Å²	140.2	80%	0.797	80%	0.797	S	S	*	*				77.7	107.9	68.4	179.6	0	0	0	0	113.9
488	E	23.3	Very low	25.6	Very low	194 Å²	194	144.5 Å²	144.5	91%	0.907	80%	0.802	S	S	*	*			trans	-163.8	122.2	136.3	-111.1	178	-165.6	0	0	111.6
489	Q	25.4	Very low	24.9	Very low	187 Å²	187	144.8 Å²	144.8	87%	0.874	81%	0.806	S	S	*	*			trans	-141.7	138.7	160.6	-141.2	-177.2	10.4	0	0	106
490	P	30.8	Very low	24.9	Very low	117 Å²	117	145 Å²	145	76%	0.76	80%	0.802	S	S	*	*				-143.9	163.6	108.2	37.3	-21.3	0	0	0	110.2
491	S	25.2	Very low	25	Very low	112 Å²	112	142.9 Å²	142.9	78%	0.783	80%	0.799	S	S	*	*			cis	-168.6	161.5	30.2	34.1	0	0	0	0	109.7
492	S	25.2	Very low	25	Very low	107 Å²	107	144.6 Å²	144.6	75%	0.748	81%	0.806	S	S	*	*			trans	-57.1	148.2	179.2	52.1	0	0	0	0	117.9
493	L	26	Very low	25	Very low	171 Å²	171	143 Å²	143	90%	0.895	80%	0.801	S	S	*	*				-156.5	128.2	129	-105.5	152.3	0	0	0	111.3
494	S	25.2	Very low	24.9	Very low	99 Å²	99	144.5 Å²	144.5	69%	0.692	81%	0.808	S	S	*	*			trans	-61.5	173.8	172.9	61	0	0	0	0	113
495	L	25.2	Very low	24.8	Very low	146 Å²	146	145.9 Å²	145.9	76%	0.764	81%	0.813	S	S	*	*			cis	-166.7	140.7	5.8	-160.9	78.7	0	0	0	105.3
496	N	26.8	Very low	24.7	Very low	149 Å²	149	144.5 Å²	144.5	80%	0.797	82%	0.815	S	S	*	*			trans	155.5	102.6	130.8	-85.3	-16.1	0	0	0	110.8
497	G	24	Very low	24.7	Very low	78 Å²	78	146.5 Å²	146.5	80%	0.804	82%	0.818	S	S	*	*			trans	-90.6	169.4	169.5	0	0	0	0	0	112.8
498	R	25.1	Very low	24.9	Very low	255 Å²	255	150.3 Å²	150.3	96%	0.962	82%	0.824	S	S	*	*			trans	-158.8	106.9	138	-146.4	174.9	-175.5	175.3	0.7	110
499	S	23.7	Very low	25	Very low	114 Å²	114	149.3 Å²	149.3	80%	0.797	82%	0.819	S	S	*	*			trans	-155.9	121.4	160.5	53.9	0	0	0	0	107
500	Q	25.9	Very low	25	Very low	183 Å²	183	147 Å²	147	86%	0.855	81%	0.812	S	S	*	*			trans	-175.1	116.9	142.1	-104.9	170	13.4	0	0	110.8
501	S	24.3	Very low	24.7	Very low	106 Å²	106	150.2 Å²	150.2	74%	0.741	82%	0.817	S	S	*	*			trans	-45.5	149.6	134.8	39.3	0	0	0	0	112.3
502	V	25	Very low	24.7	Very low	128 Å²	128	149.3 Å²	149.3	78%	0.776	82%	0.816	S	S	*	*			trans	-179.1	133.2	141.1	148.9	0	0	0	0	109.5
503	E	24.2	Very low	25.2	Very low	187 Å²	187	149.9 Å²	149.9	87%	0.874	82%	0.817	S	S	*	*			trans	-60.9	142.9	162.9	-68.6	164.2	112.6	0	0	111.4
504	Q	23.8	Very low	25.9	Very low	192 Å²	192	146.9 Å²	146.9	90%	0.897	81%	0.808	S	S	*	*			trans	-149.3	130.6	151.2	-148.5	157.4	-10.6	0	0	114.3
505	M	21.7	Very low	25.8	Very low	164 Å²	164	148.3 Å²	148.3	81%	0.808	81%	0.813	S	S	*	*			trans	-76.1	147.6	175.6	-161.3	176.9	171.6	0	0	110.3
506	C	23.3	Very low	25.8	Very low	134 Å²	134	145.9 Å²	145.9	91%	0.905	81%	0.808	S	S	*	*			trans	-135.4	129.6	167.4	-143	0	0	0	0	109.2
507	N	22.9	Very low	25.7	Very low	139 Å²	139	147.6 Å²	147.6	74%	0.743	81%	0.811	S	S	*	*			trans	-136.6	133.5	178.3	-123.6	2.5	0	0	0	108
508	Q	25.2	Very low	25.9	Very low	195 Å²	195	152.1 Å²	152.1	91%	0.911	81%	0.811	S	S	*	*			trans	-160.7	139	147.1	-114.5	169.2	2.7	0	0	112.4
509	H	25.3	Very low	25.9	Very low	173 Å²	173	147.3 Å²	147.3	80%	0.801	80%	0.804	S	S	*	*			trans	-34.4	154.7	-174.4	-74.9	-42.8	0	0	0	120.8
510	D	25.5	Very low	25.9	Very low	138 Å²	138	148.4 Å²	148.4	74%	0.738	81%	0.81	S	S	*	*				-165.4	154.3	60.6	-108.8	-41.4	0	0	0	115.9
511	Q	25.6	Very low	25.8	Very low	185 Å²	185	150.4 Å²	150.4	86%	0.864	81%	0.81	S	S	*	*			trans	72.7	132.1	155.7	-69.2	173.9	8.6	0	0	123.5
512	A	24.8	Very low	25.9	Very low	93 Å²	93	150.4 Å²	150.4	77%	0.769	81%	0.809	S	S	*	*			trans	-136.5	179.6	172.1	0	0	0	0	0	109.3
513	P	36.2	Very low	26	Very low	118 Å²	118	152.9 Å²	152.9	77%	0.766	81%	0.813	S	S	*	*			cis	-139.4	-152.7	-6.3	43.9	-23.4	0	0	0	112.3
514	P	39.5	Very low	26.1	Very low	108 Å²	108	148.6 Å²	148.6	70%	0.701	80%	0.803	S	S	*	*			cis	-127.9	-174	-28.7	24.2	-0.7	0	0	0	114.7
515	T	23.6	Very low	26.1	Very low	129 Å²	129	150 Å²	150	79%	0.791	81%	0.807	S	S	*	*			trans	95.6	96.9	153.4	3.8	0	0	0	0	119
516	S	25.4	Very low	26.3	Very low	96 Å²	96	150.9 Å²	150.9	67%	0.671	81%	0.809	S	S	*	*				174.6	135.8	100.7	68.3	0	0	0	0	111.3
517	E	24.1	Very low	26.4	Very low	184 Å²	184	155 Å²	155	86%	0.86	81%	0.807	S	S	*	*			trans	-67	133.8	173.4	-62.6	171.5	140	0	0	110.6
518	H	27.8	Very low	26.5	Very low	174 Å²	174	154.5 Å²	154.5	81%	0.806	81%	0.813	S	S	*	*			trans	-123.5	96.2	163.1	-84.5	-67.7	0	0	0	110.6
519	L	26.7	Very low	26.5	Very low	154 Å²	154	151 Å²	151	81%	0.806	81%	0.809	S	S	*	*			trans	-70.5	123.1	163.4	-132.6	88.5	0	0	0	109
520	C	23.5	Very low	26.6	Very low	137 Å²	137	150.6 Å²	150.6	93%	0.926	81%	0.812	S	S	*	*			trans	-80	118.9	164.8	-79.3	0	0	0	0	109.3
521	R	24.1	Very low	26.6	Very low	225 Å²	225	152.1 Å²	152.1	85%	0.849	81%	0.814	S	S	*	*			trans	-136.4	132	169.5	-160.5	175.1	-173.6	168.7	2.1	110.6
522	S	25.1	Very low	26.7	Very low	105 Å²	105	150.3 Å²	150.3	73%	0.734	81%	0.81	S	S	*	*			trans	-58.3	143.3	176.2	65.6	0	0	0	0	113.6
523	Q	27	Very low	26.8	Very low	181 Å²	181	152.8 Å²	152.8	85%	0.846	81%	0.811	S	S	*	*			trans	-146.5	109	152.8	-72.1	-171.6	-16.5	0	0	107.3
524	S	26.1	Very low	26.3	Very low	97 Å²	97	150 Å²	150	68%	0.678	80%	0.804	S	S	*	*				61.6	107.2	82.7	71.4	0	0	0	0	113.3
525	F	25.7	Very low	25.7	Very low	221 Å²	221	152.7 Å²	152.7	97%	0.969	81%	0.812	S	S	*	*			trans	-61.2	131.9	170.7	-72.8	-94.6	0	0	0	111.2
526	Q	25.2	Very low	25.8	Very low	183 Å²	183	154.4 Å²	154.4	86%	0.855	82%	0.815	S	S	*	*			trans	-137.1	126.3	165.7	-158.7	156.8	-5.8	0	0	110.4
527	Y	25.4	Very low	25.9	Very low	219 Å²	219	153.4 Å²	153.4	86%	0.859	82%	0.82	S	S	*	*			trans	-57.8	140.7	172	-101.2	-106.8	0	0	0	111.3
528	C	24.2	Very low	25.8	Very low	129 Å²	129	150.1 Å²	150.1	87%	0.872	82%	0.817	S	S	*	*			trans	-122.9	117.5	158.5	-87.6	0	0	0	0	110.2
529	C	26.1	Very low	26.2	Very low	122 Å²	122	146.9 Å²	146.9	82%	0.824	81%	0.812	S	S	*	*			trans	-78.9	153.8	163.8	-77	0	0	0	0	110.9
530	L	26	Very low	26	Very low	165 Å²	165	150.1 Å²	150.1	86%	0.864	81%	0.813	S	S	*	*			trans	-42.2	135.4	168.9	-80.4	133	0	0	0	115.3
531	H	27.2	Very low	26	Very low	169 Å²	169	151.9 Å²	151.9	78%	0.782	81%	0.807	S	S	*	*			trans	-156.9	120.7	132.4	-146.8	-79.9	0	0	0	109.5
532	D	26.3	Very low	25.9	Very low	147 Å²	147	147.2 Å²	147.2	79%	0.786	80%	0.799	S	S	*	*			trans	-112.7	129.9	178.5	-149.7	-3.1	0	0	0	107.9
533	N	27.6	Very low	25.8	Very low	145 Å²	145	150 Å²	150	78%	0.775	80%	0.798	S	S	*	*			trans	-152.2	98.3	171.4	-104.2	-8.1	0	0	0	109.1
534	G	25.3	Very low	25.6	Very low	61 Å²	61	148 Å²	148	63%	0.629	79%	0.788	S	S	*	*				76.7	121.7	124.8	0	0	0	0	0	120.8
535	L	27.2	Very low	25.5	Very low	164 Å²	164	151.2 Å²	151.2	86%	0.859	80%	0.796	S	S	*	*			trans	75.8	137.9	152.2	-81.7	96.2	0	0	0	116.9
536	L	26.3	Very low	25.3	Very low	165 Å²	165	145.7 Å²	145.7	86%	0.864	78%	0.78	S	S	*	*			cis	-169.4	143.6	9.9	-179.3	71.4	0	0	0	106.6
537	G	26.3	Very low	25.2	Very low	75 Å²	75	141.8 Å²	141.8	77%	0.773	77%	0.773	S	S	*	*			trans	138.3	76.1	159.5	0	0	0	0	0	117.4
538	S	22.1	Very low	25.1	Very low	114 Å²	114	137.9 Å²	137.9	80%	0.797	76%	0.764	S	S	*	*			trans	-86.8	171	143.2	-141	0	0	0	0	107.2
539	P	36.3	Very low	25.1	Very low	107 Å²	107	140.7 Å²	140.7	70%	0.695	77%	0.765	S	S	*	*			cis	-151	168	27	37.9	-14.5	0	0	0	118.9
540	R	23.1	Very low	25	Very low	222 Å²	222	141.7 Å²	141.7	84%	0.838	76%	0.757	S	S	*	*			trans	149.5	111.3	131.9	-83.7	171.9	172.9	172.5	-1.2	109.2
541	Q	23.5	Very low	24.9	Very low	173 Å²	173	142.5 Å²	142.5	81%	0.808	76%	0.762	S	S	*	*				52.6	128.4	84.8	-86	-170.2	-14.2	0	0	111.6
542	L	22.3	Very low	24.8	Very low	128 Å²	128	138.1 Å²	138.1	67%	0.67	75%	0.754	S	S	*	*			cis	-177.9	149.6	38.5	-163.7	73.3	0	0	0	109.4
543	K	22.3	Very low	24.7	Very low	162 Å²	162	141.6 Å²	141.6	70%	0.704	76%	0.762	S	S	*	*			trans	55	124.8	144.9	-84.5	-177.9	171.7	-162.8	0	121.4
544	E	22.4	Very low	24.4	Very low	139 Å²	139	140 Å²	140	65%	0.65	76%	0.762	S	S	*	*				99.4	109.9	56.8	-175.9	-177.6	-132.5	0	0	111.7	V546	E544-V546 HydrophobicContact CG-CG2 4.4Å
545	I	24.7	Very low	25.1	Very low	165 Å²	165	142.1 Å²	142.1	85%	0.846	77%	0.765	S	S	*	*			trans	-157.9	99.9	151.3	-55.2	-173.7	0	0	0	105.5
546	V	21.9	Very low	25	Very low	105 Å²	105	139.9 Å²	139.9	64%	0.636	76%	0.759	S	S	*	*				60.3	100.2	79.6	-178.5	0	0	0	0	114.3	E544	E544-V546 HydrophobicContact CG-CG2 4.4Å
547	S	22.4	Very low	24.7	Very low	101 Å²	101	144.1 Å²	144.1	71%	0.706	76%	0.763	S	S	*	*				66.5	155.5	114.7	-53.6	0	0	0	0	116
548	M	24.4	Very low	24.8	Very low	137 Å²	137	146.3 Å²	146.3	68%	0.675	76%	0.761	S	S	*	*			cis	-175.9	158.9	12	-135.2	158.6	68.1	0	0	106.6	H550	M548-H550 WeakPolarHBondContact CE-CD2 3.36Å; M548-H550 WeakPolarHBondContact CE-NE2 3.44Å
549	E	23.2	Very low	25.2	Very low	188 Å²	188	146.5 Å²	146.5	88%	0.879	76%	0.76	S	S	*	*			trans	175.3	107.1	131.3	-100.5	179.5	162	0	0	109
550	H	24.8	Very low	24.7	Very low	143 Å²	143	147.9 Å²	147.9	66%	0.662	77%	0.767	S	S	*	*				71.1	114.5	78.9	-94.1	-71.6	0	0	0	116.9	M548	M548-H550 WeakPolarHBondContact CE-CD2 3.36Å; M548-H550 WeakPolarHBondContact CE-NE2 3.44Å
551	L	24	Very low	24.8	Very low	183 Å²	183	146.9 Å²	146.9	96%	0.958	77%	0.768	S	S	*	*			trans	-151.7	133.1	131.4	-155.3	73.8	0	0	0	110.7
552	A	24.9	Very low	24.9	Very low	76 Å²	76	147.9 Å²	147.9	63%	0.628	77%	0.773	S	S	*	*			trans	-111.1	157	-170.8	0	0	0	0	0	112.6
553	K	23.6	Very low	25.1	Very low	220 Å²	220	146.7 Å²	146.7	96%	0.957	78%	0.782	S	S	*	*				-171.4	134.6	129.8	-103.4	168.3	-175.6	179.1	0	112.5
554	S	21.6	Very low	25.4	Very low	111 Å²	111	144.7 Å²	144.7	78%	0.776	79%	0.788	S	S	*	*			trans	-110	-165.4	174.2	-164.9	0	0	0	0	107.9
555	P	40.8	Very low	25.6	Very low	106 Å²	106	143.8 Å²	143.8	69%	0.688	79%	0.792	S	S	*	*			cis	-134.6	178.2	-8.6	25	1.7	0	0	0	113.3
556	T	23.2	Very low	25.7	Very low	118 Å²	118	144.2 Å²	144.2	72%	0.724	79%	0.79	S	S	*	*				166.4	129.6	78	-49.3	0	0	0	0	110.5
557	R	22	Very low	26	Very low	253 Å²	253	148 Å²	148	96%	0.955	80%	0.801	S	S	*	*				-168.2	133.6	122.5	-129.6	178.6	-179.8	-175.1	-0.9	112.3
558	V	27.9	Very low	26.3	Very low	121 Å²	121	151 Å²	151	73%	0.733	81%	0.809	S	S	*	*			trans	-79.3	155	-173.1	168.8	0	0	0	0	111.7
559	P	30.6	Very low	26.6	Very low	118 Å²	118	149.9 Å²	149.9	77%	0.766	81%	0.81	S	S	*	*			trans	-85.7	153.2	179.7	35.3	-34.7	0	0	0	112.5
560	T	24.8	Very low	27.4	Very low	137 Å²	137	146.6 Å²	146.6	84%	0.84	81%	0.806	S	S	*	*			trans	-125.8	123.5	169.9	-40.8	0	0	0	0	109.6
561	K	25.8	Very low	28.4	Very low	201 Å²	201	147.1 Å²	147.1	87%	0.874	81%	0.812	S	S	*	*			trans	-65.1	134	170	-75.1	171.7	169.9	177	0	109.6
562	E	24.6	Very low	29.6	Very low	194 Å²	194	143.4 Å²	143.4	91%	0.907	80%	0.799	S	S	*	*			trans	-127	121.7	145.9	-75.6	-171.7	171.5	0	0	108.3
563	A	27.4	Very low	31	Very low	103 Å²	103	144.6 Å²	144.6	85%	0.851	81%	0.808	S	S	*	*			trans	-91.5	124.1	168.1	0	0	0	0	0	107.2
564	S	28.4	Very low	32.8	Very low	120 Å²	120	138.1 Å²	138.1	84%	0.839	78%	0.783	S	S	*	*			trans	-138.2	127	159	59.5	0	0	0	0	109.3
565	T	26	Very low	35.1	Very low	119 Å²	119	135.8 Å²	135.8	73%	0.73	77%	0.767	S	S	*	*			trans	-71.6	144.5	-168.8	-50.4	0	0	0	0	113.2
566	Q	27.3	Very low	36.7	Very low	174 Å²	174	135.6 Å²	135.6	81%	0.813	77%	0.765	S	S	*	*			trans	65.3	108.5	153.3	-78	165.7	2.6	0	0	119.7
567	Q	27.8	Very low	39	Very low	184 Å²	184	132.6 Å²	132.6	86%	0.86	75%	0.753	S	S	*	*				-158.3	95.3	107.4	-152.5	148.3	10.2	0	0	110.3	T569	Q567-T569 PolarHBondContact O-N 3.45Å; Q567-T569 VanDerWaalsContact O-N 3.15Å
568	D	28.6	Very low	41.5	Very low	164 Å²	164	125.8 Å²	125.8	88%	0.877	73%	0.733	S	S	*	*			trans	-63.2	110.8	169.8	-81.4	-43.6	0	0	0	109.5
569	T	31.8	Very low	43.8	Very low	114 Å²	114	124.9 Å²	124.9	70%	0.699	72%	0.721	S	S	*	*			trans	-107.7	121.6	160.5	-38	0	0	0	0	105.3	Q567 I571	Q567-T569 PolarHBondContact O-N 3.45Å; Q567-T569 VanDerWaalsContact O-N 3.15Å; T569-I571 PolarHBondContact O-N 3.36Å
570	P	40.5	Very low	46.1	Very low	120 Å²	120	127.4 Å²	127.4	78%	0.779	72%	0.715	S	S	*	*			trans	-72	104.5	-172.2	27.4	-30.7	0	0	0	109.6
571	I	44.3	Very low	48.7	Very low	154 Å²	154	123.3 Å²	123.3	79%	0.79	70%	0.695	S	S	*	*			trans	-63.7	125.6	161.5	-58.4	172.5	0	0	0	105.8	T569 A573	T569-I571 PolarHBondContact O-N 3.36Å; I571-A573 PolarHBondContact O-N 3.41Å; I571-A573 VanDerWaalsContact O-N 3.07Å
572	P	49.4	Very low	51.4	Low	105 Å²	105	117 Å²	117	68%	0.682	67%	0.67	S	S	*	*			trans	-63.1	120.4	175.9	7.6	-0.3	0	0	0	107.4	I574	P572-I574 VanDerWaalsContact C-N 3.33Å; P572-I574 PolarHBondContact O-N 3.22Å
573	A	54.1	Low	54.1	Low	101 Å²	101	112.7 Å²	112.7	84%	0.835	65%	0.65	S	S	*	*			trans	-57.3	100.7	171.1	0	0	0	0	0	108	I571 S575	I571-A573 PolarHBondContact O-N 3.41Å; I571-A573 VanDerWaalsContact O-N 3.07Å; A573-S575 PolarHBondContact O-N 3.45Å
574	I	62.6	Low	56.8	Low	84 Å²	84	109.3 Å²	109.3	43%	0.431	63%	0.626	S	S	.	*			trans	-57.4	122.7	175	-64.9	178.2	0	0	0	106.1	P572 M578 Q579 I582	P572-I574 VanDerWaalsContact C-N 3.33Å; P572-I574 PolarHBondContact O-N 3.22Å; I574-M578 HydrophobicContact CG2-CB 3.52Å; I574-M578 HydrophobicContact CG2-CG 3.5Å; I574-Q579 HydrophobicContact CG2-CB 4.04Å; I574-I582 HydrophobicContact CD1-CD1 4.21Å; I574-I582 HydrophobicContact CG2-CD1 4.19Å
575	S	70.2	Confident	59.4	Low	62 Å²	62	108.3 Å²	108.3	43%	0.434	61%	0.614	S	S	.	*			trans	-58.6	148.6	179.8	82	0	0	0	0	109.8	A573 A577 M578 Q579	A573-S575 PolarHBondContact O-N 3.45Å; S575-A577 PolarHBondContact O-N 3.42Å; S575-M578 WeakPolarHBondContact O-CA 3.46Å; S575-M578 WeakPolarHBondContact O-CB 3.41Å; S575-M578 PolarHBondContact O-N 2.98Å; S575-M578 PolarHBondContact OG-N 3.13Å; S575-Q579 PolarHBondContact O-N 3Å
576	P	73.9	Confident	62	Low	101 Å²	101	108 Å²	108	66%	0.656	60%	0.604	S	S	*	*	H	α-helix	trans	-61.8	-13.1	179.6	22.5	-32.6	0	0	0	113.5	R580	P576-R580 WeakPolarHBondContact O-CG 3.48Å; P576-R580 PolarHBondContact O-NE 3.24Å
577	A	71.8	Confident	64.8	Low	56 Å²	56	107.2 Å²	107.2	46%	0.463	60%	0.595	S	S	.	*	H	α-helix	trans	-80.9	-40.5	168.8	0	0	0	0	0	112.1	S575 A581	S575-A577 PolarHBondContact O-N 3.42Å; A577-A581 WeakPolarHBondContact O-CB 3.42Å; A577-A581 PolarHBondContact O-N 3.2Å
578	M	73	Confident	67.3	Low	110 Å²	110	103.1 Å²	103.1	54%	0.542	58%	0.578	S	S	.	*	H	α-helix	trans	-68.2	-36.3	176.6	-175.8	70	82.7	0	0	111.6	I574 S575 A581 I582	I574-M578 HydrophobicContact CG2-CB 3.52Å; I574-M578 HydrophobicContact CG2-CG 3.5Å; S575-M578 WeakPolarHBondContact O-CA 3.46Å; S575-M578 WeakPolarHBondContact O-CB 3.41Å; S575-M578 PolarHBondContact O-N 2.98Å; S575-M578 PolarHBondContact OG-N 3.13Å; M578-A581 PolarHBondContact O-N 3.07Å; M578-I582 HydrophobicContact CG-CD1 4.09Å; M578-I582 VanDerWaalsContact O-CG1 3.25Å; M578-I582 WeakPolarHBondContact O-CG1 3.33Å; M578-I582 PolarHBondContact O-N 3.29Å
579	Q	77.3	Confident	69.7	Low	102 Å²	102	97.9 Å²	97.9	48%	0.477	56%	0.557	S	S	.	*	H	α-helix	trans	-67.5	-41.8	176.7	-165.9	145.2	-9.4	0	0	112.3	I574 S575 A581 I582 E583	I574-Q579 HydrophobicContact CG2-CB 4.04Å; S575-Q579 PolarHBondContact O-N 3Å; Q579-A581 VanDerWaalsContact C-N 3.32Å; Q579-A581 PolarHBondContact O-N 3.45Å; Q579-I582 PolarHBondContact O-N 3.34Å; Q579-E583 WeakPolarHBondContact O-CG 3.4Å; Q579-E583 PolarHBondContact O-N 3.49Å
580	R	77.6	Confident	71.9	Confident	170 Å²	170	97.3 Å²	97.3	64%	0.642	55%	0.55	S	S	*	.	H	α-helix	trans	-64.4	-34.3	171.7	-75.3	-175.1	-72.2	157.8	-4.9	113	P576 G584	P576-R580 WeakPolarHBondContact O-CG 3.48Å; P576-R580 PolarHBondContact O-NE 3.24Å; R580-G584 PolarHBondContact O-N 3.14Å
581	A	80.1	Confident	73.8	Confident	51 Å²	51	96.4 Å²	96.4	42%	0.421	54%	0.535	S	S	.	.	H	α-helix	trans	-67.8	-41.2	174	0	0	0	0	0	111.6	A577 M578 Q579 G584 V585	A577-A581 WeakPolarHBondContact O-CB 3.42Å; A577-A581 PolarHBondContact O-N 3.2Å; M578-A581 PolarHBondContact O-N 3.07Å; Q579-A581 VanDerWaalsContact C-N 3.32Å; Q579-A581 PolarHBondContact O-N 3.45Å; A581-G584 PolarHBondContact O-N 2.91Å; A581-V585 VanDerWaalsContact O-CG2 3.29Å; A581-V585 WeakPolarHBondContact O-CG2 3.41Å; A581-V585 PolarHBondContact O-N 2.89Å
582	I	83.3	Confident	75.3	Confident	68 Å²	68	93.3 Å²	93.3	35%	0.349	52%	0.52	S	S	.	.	H	α-helix	trans	-63.7	-43.6	174.7	-69.2	164	0	0	0	110.9	I574 M578 Q579 V585 Q586	I574-I582 HydrophobicContact CD1-CD1 4.21Å; I574-I582 HydrophobicContact CG2-CD1 4.19Å; M578-I582 HydrophobicContact CG-CD1 4.09Å; M578-I582 VanDerWaalsContact O-CG1 3.25Å; M578-I582 WeakPolarHBondContact O-CG1 3.33Å; M578-I582 PolarHBondContact O-N 3.29Å; Q579-I582 PolarHBondContact O-N 3.34Å; I582-V585 PolarHBondContact O-N 2.83Å; I582-Q586 WeakPolarHBondContact O-CB 3.14Å; I582-Q586 WeakPolarHBondContact O-CG 3.47Å; I582-Q586 PolarHBondContact O-N 3.26Å
583	E	81.1	Confident	76.7	Confident	105 Å²	105	95.3 Å²	95.3	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-62.7	-41	175	-73.4	167.6	-171.7	0	0	112	Q579 Q586 Y587	Q579-E583 WeakPolarHBondContact O-CG 3.4Å; Q579-E583 PolarHBondContact O-N 3.49Å; E583-Q586 PolarHBondContact O-N 3.22Å; E583-Y587 WeakPolarHBondContact O-CB 3.21Å; E583-Y587 PolarHBondContact O-N 3.26Å
584	G	83.4	Confident	77.8	Confident	32 Å²	32	93 Å²	93	33%	0.33	50%	0.499	S	S	.	.	H	α-helix	trans	-63.8	-42.4	174.8	0	0	0	0	0	112.8	R580 A581 Y587 I588	R580-G584 PolarHBondContact O-N 3.14Å; A581-G584 PolarHBondContact O-N 2.91Å; G584-Y587 PolarHBondContact O-N 3.43Å; G584-I588 WeakPolarHBondContact O-CB 3.08Å; G584-I588 WeakPolarHBondContact O-CD1 3.44Å; G584-I588 WeakPolarHBondContact O-CG1 3.26Å; G584-I588 PolarHBondContact O-N 3.09Å
585	V	83.1	Confident	78.4	Confident	98 Å²	98	94.5 Å²	94.5	59%	0.594	50%	0.504	S	S	*	.	H	α-helix	trans	-68.5	-40.2	176	172.2	0	0	0	0	111.4	A581 I582 I588 A589	A581-V585 VanDerWaalsContact O-CG2 3.29Å; A581-V585 WeakPolarHBondContact O-CG2 3.41Å; A581-V585 PolarHBondContact O-N 2.89Å; I582-V585 PolarHBondContact O-N 2.83Å; V585-I588 PolarHBondContact O-N 3.37Å; V585-A589 VanDerWaalsContact O-CB 3.28Å; V585-A589 WeakPolarHBondContact O-CB 3.35Å; V585-A589 PolarHBondContact O-N 3.33Å
586	Q	81.3	Confident	78.8	Confident	112 Å²	112	95 Å²	95	52%	0.523	50%	0.501	S	S	.	.	H	α-helix	trans	-62.8	-44.3	174.2	-82.5	176.3	-27.5	0	0	111.4	I582 E583 I588 A589 D590	I582-Q586 WeakPolarHBondContact O-CB 3.14Å; I582-Q586 WeakPolarHBondContact O-CG 3.47Å; I582-Q586 PolarHBondContact O-N 3.26Å; E583-Q586 PolarHBondContact O-N 3.22Å; Q586-I588 PolarHBondContact O-N 3.49Å; Q586-A589 PolarHBondContact O-N 3.42Å; Q586-D590 WeakPolarHBondContact O-CB 3.44Å; Q586-D590 PolarHBondContact O-N 3.39Å
587	Y	85.3	Confident	78.9	Confident	159 Å²	159	92.6 Å²	92.6	62%	0.624	49%	0.49	S	S	*	.	H	α-helix	trans	-60.8	-44.9	175.3	178.8	-94	0	0	0	111.9	E583 G584 D590 H591	E583-Y587 WeakPolarHBondContact O-CB 3.21Å; E583-Y587 PolarHBondContact O-N 3.26Å; G584-Y587 PolarHBondContact O-N 3.43Å; Y587-D590 PolarHBondContact O-N 3.21Å; Y587-H591 WeakPolarHBondContact O-CB 3.32Å; Y587-H591 PolarHBondContact O-N 3.32Å
588	I	80.8	Confident	79.2	Confident	98 Å²	98	92.7 Å²	92.7	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-63.4	-43.7	176.6	-68.2	162.9	0	0	0	110.5	G584 V585 Q586 H591 L592	G584-I588 WeakPolarHBondContact O-CB 3.08Å; G584-I588 WeakPolarHBondContact O-CD1 3.44Å; G584-I588 WeakPolarHBondContact O-CG1 3.26Å; G584-I588 PolarHBondContact O-N 3.09Å; V585-I588 PolarHBondContact O-N 3.37Å; Q586-I588 PolarHBondContact O-N 3.49Å; I588-H591 PolarHBondContact O-N 3.04Å; I588-L592 HydrophobicContact CG2-CD1 3.74Å; I588-L592 HydrophobicContact CG2-CG 4.24Å; I588-L592 VanDerWaalsContact O-CB 3.32Å; I588-L592 WeakPolarHBondContact O-CB 3.25Å; I588-L592 WeakPolarHBondContact O-CG 3.37Å; I588-L592 PolarHBondContact O-N 3.49Å
589	A	78.3	Confident	79.4	Confident	53 Å²	53	91.2 Å²	91.2	44%	0.438	47%	0.474	S	S	.	.	H	α-helix	trans	-63.5	-42.9	178.3	0	0	0	0	0	112.1	V585 Q586 K593	V585-A589 VanDerWaalsContact O-CB 3.28Å; V585-A589 WeakPolarHBondContact O-CB 3.35Å; V585-A589 PolarHBondContact O-N 3.33Å; Q586-A589 PolarHBondContact O-N 3.42Å; A589-K593 WeakPolarHBondContact O-CB 3.16Å; A589-K593 PolarHBondContact O-N 2.95Å
590	D	78.2	Confident	79.4	Confident	102 Å²	102	88.2 Å²	88.2	55%	0.545	46%	0.464	S	S	.	.	H	α-helix	trans	-71	-35.9	177.5	-74.7	-26.4	0	0	0	111.9	Q586 Y587 K593 A594	Q586-D590 WeakPolarHBondContact O-CB 3.44Å; Q586-D590 PolarHBondContact O-N 3.39Å; Y587-D590 PolarHBondContact O-N 3.21Å; D590-K593 PolarHBondContact O-N 3.45Å; D590-A594 VanDerWaalsContact O-CB 3.3Å; D590-A594 WeakPolarHBondContact O-CB 3.37Å; D590-A594 PolarHBondContact O-N 2.92Å
591	H	81.2	Confident	79.5	Confident	101 Å²	101	81.6 Å²	81.6	47%	0.468	44%	0.442	S	S	.	.	H	α-helix	trans	-66.2	-48	174.8	-168.7	76.7	0	0	0	111.7	Y587 I588 K593 A594 E595	Y587-H591 WeakPolarHBondContact O-CB 3.32Å; Y587-H591 PolarHBondContact O-N 3.32Å; I588-H591 PolarHBondContact O-N 3.04Å; H591-K593 VanDerWaalsContact C-N 3.31Å; H591-K593 PolarHBondContact O-N 3.39Å; H591-A594 PolarHBondContact O-N 2.95Å; H591-E595 WeakPolarHBondContact O-CB 3.28Å; H591-E595 PolarHBondContact O-N 3.18Å
592	L	76.4	Confident	79.4	Confident	90 Å²	90	83.5 Å²	83.5	47%	0.471	44%	0.441	S	S	.	.	H	α-helix	trans	-61.3	-40.6	174.9	-72.4	171.9	0	0	0	111.3	I588 E595 D596	I588-L592 HydrophobicContact CG2-CD1 3.74Å; I588-L592 HydrophobicContact CG2-CG 4.24Å; I588-L592 VanDerWaalsContact O-CB 3.32Å; I588-L592 WeakPolarHBondContact O-CB 3.25Å; I588-L592 WeakPolarHBondContact O-CG 3.37Å; I588-L592 PolarHBondContact O-N 3.49Å; L592-E595 PolarHBondContact O-N 2.96Å; L592-D596 WeakPolarHBondContact O-CB 3.43Å; L592-D596 PolarHBondContact O-N 3.31Å
593	K	77.7	Confident	79.3	Confident	147 Å²	147	82.7 Å²	82.7	64%	0.639	44%	0.436	S	S	*	.	H	α-helix	trans	-66.8	-37.3	177.1	-174.1	178.9	-179.6	-176.6	0	112.7	A589 D590 H591 A597	A589-K593 WeakPolarHBondContact O-CB 3.16Å; A589-K593 PolarHBondContact O-N 2.95Å; D590-K593 PolarHBondContact O-N 3.45Å; H591-K593 VanDerWaalsContact C-N 3.31Å; H591-K593 PolarHBondContact O-N 3.39Å; K593-A597 WeakPolarHBondContact O-CB 3.33Å; K593-A597 PolarHBondContact O-N 3Å
594	A	77.1	Confident	79.5	Confident	53 Å²	53	78 Å²	78	44%	0.438	41%	0.414	S	S	.	.	H	α-helix	trans	-68.9	-41.3	174.5	0	0	0	0	0	111.4	D590 H591 A597 D598	D590-A594 VanDerWaalsContact O-CB 3.3Å; D590-A594 WeakPolarHBondContact O-CB 3.37Å; D590-A594 PolarHBondContact O-N 2.92Å; H591-A594 PolarHBondContact O-N 2.95Å; A594-A597 PolarHBondContact O-N 3.43Å; A594-D598 PolarHBondContact O-N 2.68Å
595	E	76.2	Confident	79.6	Confident	114 Å²	114	76.8 Å²	76.8	53%	0.533	40%	0.4	S	S	.	.	H	α-helix	trans	-65.7	-41.6	176.1	-169.7	170.3	-162.2	0	0	112.2	H591 L592 A597 D598 F599	H591-E595 WeakPolarHBondContact O-CB 3.28Å; H591-E595 PolarHBondContact O-N 3.18Å; L592-E595 PolarHBondContact O-N 2.96Å; E595-A597 VanDerWaalsContact C-N 3.35Å; E595-A597 PolarHBondContact O-N 2.82Å; E595-D598 PolarHBondContact O-N 3.47Å; E595-F599 WeakPolarHBondContact O-CB 3.42Å; E595-F599 PolarHBondContact O-N 2.87Å
596	D	77.1	Confident	79.7	Confident	72 Å²	72	75.1 Å²	75.1	39%	0.385	38%	0.384	S	S	.	.	H	α-helix	trans	-62.1	-40.1	173.1	-84.3	-17	0	0	0	112.1	L592 F599 S600	L592-D596 WeakPolarHBondContact O-CB 3.43Å; L592-D596 PolarHBondContact O-N 3.31Å; D596-F599 PolarHBondContact O-N 3.4Å; D596-S600 WeakPolarHBondContact O-CB 3.25Å; D596-S600 PolarHBondContact O-N 2.89Å
597	A	75.9	Confident	79.9	Confident	51 Å²	51	70.3 Å²	70.3	42%	0.421	36%	0.361	S	S	.	.	H	α-helix	trans	-65.5	-43.1	176.4	0	0	0	0	0	111.5	K593 A594 E595 S600 V601	K593-A597 WeakPolarHBondContact O-CB 3.33Å; K593-A597 PolarHBondContact O-N 3Å; A594-A597 PolarHBondContact O-N 3.43Å; E595-A597 VanDerWaalsContact C-N 3.35Å; E595-A597 PolarHBondContact O-N 2.82Å; A597-S600 PolarHBondContact O-N 2.86Å; A597-V601 WeakPolarHBondContact O-CG2 3.35Å; A597-V601 PolarHBondContact O-N 3.3Å
598	D	79	Confident	79.9	Confident	59 Å²	59	62.8 Å²	62.8	32%	0.316	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-45.2	174.3	-85.8	-0.4	0	0	0	111.3	P331 A594 E595 S600 V601 K602	P331-D598 HydrophobicContact CB-CB 4.37Å; P331-D598 HydrophobicContact CG-CB 3.76Å; P331-D598 WeakPolarHBondContact CG-O 3.43Å; A594-D598 PolarHBondContact O-N 2.68Å; E595-D598 PolarHBondContact O-N 3.47Å; D598-S600 VanDerWaalsContact C-N 3.34Å; D598-S600 PolarHBondContact O-N 3.5Å; D598-V601 PolarHBondContact O-N 3.47Å; D598-K602 PolarHBondContact O-N 3.2Å
599	F	76.9	Confident	80.2	Confident	79 Å²	79	58.1 Å²	58.1	35%	0.346	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-43.8	176.9	-170.8	-94.9	0	0	0	111.6	T360 E595 D596 V601 K602 E603	T360-F599 WeakPolarHBondContact OG1-CE1 3.47Å; E595-F599 WeakPolarHBondContact O-CB 3.42Å; E595-F599 PolarHBondContact O-N 2.87Å; D596-F599 PolarHBondContact O-N 3.4Å; F599-V601 VanDerWaalsContact C-N 3.33Å; F599-V601 PolarHBondContact O-N 3.16Å; F599-K602 WeakPolarHBondContact O-CB 3.34Å; F599-K602 PolarHBondContact O-N 3.38Å; F599-E603 HydrophobicContact CD1-CG 4.16Å; F599-E603 HydrophobicContact CE1-CG 3.89Å; F599-E603 WeakPolarHBondContact CE1-OE1 3.15Å; F599-E603 HydrophobicContact CZ-CG 4.45Å; F599-E603 PolarHBondContact O-N 3.49Å
600	S	76.6	Confident	80.5	Confident	39 Å²	39	59.4 Å²	59.4	27%	0.273	31%	0.306	S	S	.	.	H	α-helix	trans	-61.1	-38.6	175.6	-179.2	0	0	0	0	112.7	D596 A597 D598 E603 D604	D596-S600 WeakPolarHBondContact O-CB 3.25Å; D596-S600 PolarHBondContact O-N 2.89Å; A597-S600 PolarHBondContact O-N 2.86Å; D598-S600 VanDerWaalsContact C-N 3.34Å; D598-S600 PolarHBondContact O-N 3.5Å; S600-E603 PolarHBondContact O-N 2.79Å; S600-D604 PolarHBondContact O-N 3.39Å
601	V	80.1	Confident	81	Confident	30 Å²	30	54.5 Å²	54.5	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-70.5	-34.9	176.9	173.4	0	0	0	0	111.3	P331 A597 D598 F599 D604 W605	P331-V601 HydrophobicContact CB-CB 4.11Å; P331-V601 HydrophobicContact CB-CG1 3.91Å; A597-V601 WeakPolarHBondContact O-CG2 3.35Å; A597-V601 PolarHBondContact O-N 3.3Å; D598-V601 PolarHBondContact O-N 3.47Å; F599-V601 VanDerWaalsContact C-N 3.33Å; F599-V601 PolarHBondContact O-N 3.16Å; V601-D604 WeakPolarHBondContact O-CB 3.3Å; V601-D604 PolarHBondContact O-N 2.85Å; V601-W605 VanDerWaalsContact O-CD1 3.32Å; V601-W605 PolarHBondContact O-N 3.48Å
602	K	79.3	Confident	81.3	Confident	91 Å²	91	50.1 Å²	50.1	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-64.9	-42.9	173.8	-172.3	-177	-178.8	-176.2	0	111.7	D598 F599 D604 W605 K606	D598-K602 PolarHBondContact O-N 3.2Å; F599-K602 WeakPolarHBondContact O-CB 3.34Å; F599-K602 PolarHBondContact O-N 3.38Å; K602-D604 VanDerWaalsContact C-N 3.33Å; K602-W605 PolarHBondContact O-N 2.84Å; K602-K606 WeakPolarHBondContact O-CG 3.5Å; K602-K606 PolarHBondContact O-N 2.85Å; K602-K606 VanDerWaalsContact O-N 3.11Å
603	E	80.2	Confident	81.9	Confident	52 Å²	52	46.2 Å²	46.2	24%	0.243	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-40.6	172.7	-71.4	-169.1	152.4	0	0	111.9	T360 F599 S600 W605 K606 Y607	T360-E603 VanDerWaalsContact OG1-CD 3.24Å; T360-E603 PolarHBondContact OG1-OE1 3.27Å; T360-E603 PolarHBondContact OG1-OE2 2.98Å; F599-E603 HydrophobicContact CD1-CG 4.16Å; F599-E603 HydrophobicContact CE1-CG 3.89Å; F599-E603 WeakPolarHBondContact CE1-OE1 3.15Å; F599-E603 HydrophobicContact CZ-CG 4.45Å; F599-E603 PolarHBondContact O-N 3.49Å; S600-E603 PolarHBondContact O-N 2.79Å; E603-W605 PolarHBondContact O-N 3.44Å; E603-K606 PolarHBondContact O-N 3.36Å; E603-Y607 WeakPolarHBondContact O-CB 3.41Å; E603-Y607 PolarHBondContact O-N 3.08Å
604	D	84.7	Confident	82.4	Confident	5 Å²	5	43 Å²	43	3%	0.027	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-45.7	175.7	-78.1	-3	0	0	0	111.4	M336 R341 L345 R356 S600 V601 K602 K606 Y607 V608	M336-D604 HydrophobicContact CE-CB 3.82Å; M336-D604 HydrophobicContact SD-CB 4.25Å; R341-D604 IonicContact CZ-OD2 2.72Å; R341-D604 IonicContact NH1-OD2 2.93Å; R341-D604 PolarHBondContact NH1-OD2 3.33Å; R341-D604 IonicContact NH2-OD2 3.79Å; L345-D604 HydrophobicContact CD1-CB 4.11Å; R356-D604 IonicContact CZ-OD1 3.63Å; R356-D604 IonicContact NH2-OD1 2.61Å; R356-D604 PolarHBondContact NH2-OD1 3.06Å; R356-D604 IonicContact NH2-OD2 3.58Å; S600-D604 PolarHBondContact O-N 3.39Å; V601-D604 WeakPolarHBondContact O-CB 3.3Å; V601-D604 PolarHBondContact O-N 2.85Å; K602-D604 VanDerWaalsContact C-N 3.33Å; D604-K606 PolarHBondContact O-N 3.2Å; D604-Y607 PolarHBondContact O-N 3.08Å; D604-V608 VanDerWaalsContact O-CG2 3.24Å; D604-V608 WeakPolarHBondContact O-CG2 3.28Å; D604-V608 PolarHBondContact O-N 3.17Å
605	W	85.5	Confident	82.9	Confident	7 Å²	7	43.2 Å²	43.2	3%	0.027	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-41.3	175.9	-83.5	116.9	0	0	0	113.2	V326 R329 M336 V601 K602 E603 Y607 V608 A609	V326-W605 HydrophobicContact CG1-CE3 3.71Å; V326-W605 HydrophobicContact CG1-CZ3 3.95Å; R329-W605 HydrophobicContact CB-CD2 4.15Å; R329-W605 HydrophobicContact CB-CG 4.18Å; R329-W605 VanDerWaalsContact NH1-CH2 3.33Å; M336-W605 HydrophobicContact CB-CZ2 3.98Å; M336-W605 HydrophobicContact CG-CZ2 4.09Å; V601-W605 VanDerWaalsContact O-CD1 3.32Å; V601-W605 PolarHBondContact O-N 3.48Å; K602-W605 PolarHBondContact O-N 2.84Å; E603-W605 PolarHBondContact O-N 3.44Å; W605-Y607 VanDerWaalsContact C-N 3.33Å; W605-V608 PolarHBondContact O-N 2.87Å; W605-A609 PolarHBondContact O-N 2.96Å
606	K	85.4	Confident	83.5	Confident	63 Å²	63	40.2 Å²	40.2	27%	0.274	20%	0.202	S	C	.	.	H	α-helix	trans	-63.1	-41.2	174.7	-69.4	178	178.1	-179.8	0	111.5	K602 E603 D604 A609 M610	K602-K606 WeakPolarHBondContact O-CG 3.5Å; K602-K606 PolarHBondContact O-N 2.85Å; K602-K606 VanDerWaalsContact O-N 3.11Å; E603-K606 PolarHBondContact O-N 3.36Å; D604-K606 PolarHBondContact O-N 3.2Å; K606-A609 PolarHBondContact O-N 3.34Å; K606-M610 WeakPolarHBondContact O-CG 3.21Å; K606-M610 PolarHBondContact O-N 3.24Å
607	Y	85.3	Confident	84.1	Confident	11 Å²	11	37.7 Å²	37.7	4%	0.043	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-42.3	176.3	-175.1	-92.4	0	0	0	111.6	L345 P349 R356 P357 E603 D604 W605 A609 M610 V611	L345-Y607 HydrophobicContact CD2-CD1 3.36Å; L345-Y607 HydrophobicContact CD2-CE1 3.92Å; L345-Y607 HydrophobicContact CD2-CG 4.36Å; P349-Y607 WeakPolarHBondContact CB-OH 3.49Å; P349-Y607 HydrophobicContact CG-CE1 3.81Å; R356-Y607 HydrophobicContact CG-CE2 4.39Å; P357-Y607 HydrophobicContact CG-CD2 4.47Å; E603-Y607 WeakPolarHBondContact O-CB 3.41Å; E603-Y607 PolarHBondContact O-N 3.08Å; D604-Y607 PolarHBondContact O-N 3.08Å; W605-Y607 VanDerWaalsContact C-N 3.33Å; Y607-A609 VanDerWaalsContact C-N 3.32Å; Y607-A609 PolarHBondContact O-N 3.32Å; Y607-M610 HydrophobicContact CD2-CE 4.18Å; Y607-M610 PolarHBondContact O-N 2.97Å; Y607-V611 HydrophobicContact CD1-CG2 3.78Å; Y607-V611 HydrophobicContact CE1-CG2 3.45Å; Y607-V611 VanDerWaalsContact CE1-CG2 3.45Å; Y607-V611 HydrophobicContact CE2-CG2 4.5Å; Y607-V611 HydrophobicContact CG-CG2 4.48Å; Y607-V611 VanDerWaalsContact O-CG2 3.29Å; Y607-V611 WeakPolarHBondContact O-CG2 3.32Å; Y607-V611 PolarHBondContact O-N 3.46Å
608	V	86.7	Confident	84.7	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-57.1	-46	173.1	170.3	0	0	0	0	110.7	V326 V340 F344 L345 D604 W605 M610 V611 I612	V326-V608 HydrophobicContact CG1-CG1 4.29Å; V340-V608 HydrophobicContact CG1-CG1 4.24Å; V340-V608 HydrophobicContact CG1-CG2 4.28Å; F344-V608 HydrophobicContact CB-CB 4.36Å; F344-V608 HydrophobicContact CB-CG1 3.96Å; F344-V608 HydrophobicContact CB-CG2 3.83Å; F344-V608 HydrophobicContact CD1-CG1 4.32Å; F344-V608 HydrophobicContact CD2-CG1 4.34Å; F344-V608 HydrophobicContact CG-CG1 3.96Å; L345-V608 HydrophobicContact CD2-CG2 3.88Å; L345-V608 HydrophobicContact CG-CG2 4.33Å; D604-V608 VanDerWaalsContact O-CG2 3.24Å; D604-V608 WeakPolarHBondContact O-CG2 3.28Å; D604-V608 PolarHBondContact O-N 3.17Å; W605-V608 PolarHBondContact O-N 2.87Å; V608-M610 PolarHBondContact O-N 3.28Å; V608-V611 PolarHBondContact O-N 3.46Å; V608-I612 HydrophobicContact CG1-CD1 3.77Å; V608-I612 HydrophobicContact CG1-CG1 4.41Å; V608-I612 VanDerWaalsContact O-CG1 3.24Å; V608-I612 WeakPolarHBondContact O-CG1 3.36Å; V608-I612 PolarHBondContact O-N 3.14Å
609	A	86.4	Confident	85.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.5	-44.8	175.8	0	0	0	0	0	112.5	V323 V326 H327 W605 K606 Y607 V611 I612 D613	V323-A609 HydrophobicContact CG1-CB 4.03Å; V326-A609 HydrophobicContact CG1-CB 4.19Å; H327-A609 HydrophobicContact CB-CB 3.78Å; W605-A609 PolarHBondContact O-N 2.96Å; K606-A609 PolarHBondContact O-N 3.34Å; Y607-A609 VanDerWaalsContact C-N 3.32Å; Y607-A609 PolarHBondContact O-N 3.32Å; A609-V611 PolarHBondContact O-N 3.47Å; A609-I612 PolarHBondContact O-N 3.05Å; A609-D613 PolarHBondContact O-N 3.4Å
610	M	85.7	Confident	85.6	Confident	79 Å²	79	39.9 Å²	39.9	39%	0.389	18%	0.183	S	C	.	.	H	α-helix	trans	-63.1	-38.6	175.4	-72.8	-171.6	-70.3	0	0	112.8	K606 Y607 V608 D613 R614	K606-M610 WeakPolarHBondContact O-CG 3.21Å; K606-M610 PolarHBondContact O-N 3.24Å; Y607-M610 HydrophobicContact CD2-CE 4.18Å; Y607-M610 PolarHBondContact O-N 2.97Å; V608-M610 PolarHBondContact O-N 3.28Å; M610-D613 PolarHBondContact O-N 3.19Å; M610-R614 VanDerWaalsContact O-CG 3.26Å; M610-R614 WeakPolarHBondContact O-CG 3.38Å; M610-R614 PolarHBondContact O-N 2.83Å; M610-R614 VanDerWaalsContact O-N 3.16Å
611	V	88.1	Confident	86.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.2	-42.5	177	170.8	0	0	0	0	110.6	F344 V348 P349 L352 M354 Y607 V608 A609 D613 R614 I615	F344-V611 HydrophobicContact CD1-CG1 4.18Å; V348-V611 HydrophobicContact CB-CG1 3.87Å; V348-V611 HydrophobicContact CG1-CG1 3.3Å; P349-V611 HydrophobicContact CG-CG2 4.12Å; L352-V611 HydrophobicContact CD1-CG1 4.44Å; M354-V611 HydrophobicContact SD-CG2 4.26Å; Y607-V611 HydrophobicContact CD1-CG2 3.78Å; Y607-V611 HydrophobicContact CE1-CG2 3.45Å; Y607-V611 VanDerWaalsContact CE1-CG2 3.45Å; Y607-V611 HydrophobicContact CE2-CG2 4.5Å; Y607-V611 HydrophobicContact CG-CG2 4.48Å; Y607-V611 VanDerWaalsContact O-CG2 3.29Å; Y607-V611 WeakPolarHBondContact O-CG2 3.32Å; Y607-V611 PolarHBondContact O-N 3.46Å; V608-V611 PolarHBondContact O-N 3.46Å; A609-V611 PolarHBondContact O-N 3.47Å; V611-D613 VanDerWaalsContact C-N 3.34Å; V611-D613 PolarHBondContact O-N 3.1Å; V611-R614 PolarHBondContact O-N 2.93Å; V611-R614 VanDerWaalsContact O-N 3.16Å; V611-I615 HydrophobicContact CG1-CD1 4.45Å; V611-I615 WeakPolarHBondContact O-CG1 3.46Å; V611-I615 PolarHBondContact O-N 3.45Å
612	I	87.4	Confident	86.6	Confident	9 Å²	9	43.5 Å²	43.5	5%	0.046	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-46.3	175.5	-68.2	164.8	0	0	0	110.5	F322 V323 V326 F344 V608 A609 R614 I615 F616	F322-I612 HydrophobicContact CE1-CD1 4.36Å; V323-I612 HydrophobicContact CG2-CB 4.25Å; V323-I612 HydrophobicContact CG2-CG2 3.54Å; V326-I612 HydrophobicContact CG1-CD1 4.37Å; F344-I612 HydrophobicContact CD1-CD1 4.47Å; F344-I612 HydrophobicContact CD1-CG1 3.82Å; F344-I612 HydrophobicContact CE1-CD1 4.08Å; F344-I612 HydrophobicContact CE1-CG1 3.39Å; F344-I612 HydrophobicContact CZ-CD1 4.33Å; F344-I612 HydrophobicContact CZ-CG1 4.06Å; V608-I612 HydrophobicContact CG1-CD1 3.77Å; V608-I612 HydrophobicContact CG1-CG1 4.41Å; V608-I612 VanDerWaalsContact O-CG1 3.24Å; V608-I612 WeakPolarHBondContact O-CG1 3.36Å; V608-I612 PolarHBondContact O-N 3.14Å; A609-I612 PolarHBondContact O-N 3.05Å; I612-R614 VanDerWaalsContact C-N 3.26Å; I612-R614 PolarHBondContact O-N 2.93Å; I612-I615 PolarHBondContact O-N 3.37Å; I612-F616 HydrophobicContact CG2-CD2 3.54Å; I612-F616 HydrophobicContact CG2-CE2 3.42Å; I612-F616 VanDerWaalsContact CG2-CE2 3.42Å; I612-F616 WeakPolarHBondContact O-CD2 3.19Å; I612-F616 PolarHBondContact O-N 3.44Å; I612-F616 VanDerWaalsContact O-N 3.09Å
613	D	88.3	Confident	86.9	Confident	8 Å²	8	40.3 Å²	40.3	4%	0.043	19%	0.187	C	C	.	.	H	α-helix	trans	-55.9	-39.9	175.4	-92.1	-22.2	0	0	0	112.6	K270 A609 M610 V611 F616 L617	K270-D613 IonicContact NZ-OD1 3.72Å; K270-D613 PolarHBondContact NZ-OD1 3.15Å; K270-D613 IonicContact NZ-OD2 2.64Å; K270-D613 PolarHBondContact NZ-OD2 3.44Å; A609-D613 PolarHBondContact O-N 3.4Å; M610-D613 PolarHBondContact O-N 3.19Å; V611-D613 VanDerWaalsContact C-N 3.34Å; V611-D613 PolarHBondContact O-N 3.1Å; D613-F616 PolarHBondContact O-N 3.46Å; D613-L617 VanDerWaalsContact O-CB 3.28Å; D613-L617 WeakPolarHBondContact O-CB 3.39Å; D613-L617 PolarHBondContact O-N 3.42Å
614	R	88.3	Confident	87.2	Confident	79 Å²	79	39.2 Å²	39.2	30%	0.298	19%	0.185	S	C	.	.	H	α-helix	trans	-71.4	-36.2	179.6	-65.2	-73.6	177	-174.3	-5.7	113	L352 M354 M610 V611 I612 L617 W618	L352-R614 HydrophobicContact CD1-CB 3.84Å; M354-R614 HydrophobicContact CE-CG 4.04Å; M354-R614 HydrophobicContact SD-CB 4.09Å; M354-R614 HydrophobicContact SD-CG 3.8Å; M610-R614 VanDerWaalsContact O-CG 3.26Å; M610-R614 WeakPolarHBondContact O-CG 3.38Å; M610-R614 PolarHBondContact O-N 2.83Å; M610-R614 VanDerWaalsContact O-N 3.16Å; V611-R614 PolarHBondContact O-N 2.93Å; V611-R614 VanDerWaalsContact O-N 3.16Å; I612-R614 VanDerWaalsContact C-N 3.26Å; I612-R614 PolarHBondContact O-N 2.93Å; R614-L617 PolarHBondContact O-N 2.89Å; R614-W618 PolarHBondContact O-N 2.86Å
615	I	88.9	Confident	87.3	Confident	58 Å²	58	44.1 Å²	44.1	30%	0.297	21%	0.21	S	C	.	.	H	α-helix	trans	-60.6	-51.5	173	-62.9	167.3	0	0	0	109.5	F344 V348 L352 V611 I612 L617 W618 M619	F344-I615 HydrophobicContact CE1-CD1 4.03Å; V348-I615 HydrophobicContact CB-CD1 4.49Å; V348-I615 HydrophobicContact CG1-CD1 3.5Å; V348-I615 VanDerWaalsContact CG1-CD1 3.5Å; V348-I615 HydrophobicContact CG1-CG1 3.64Å; V348-I615 HydrophobicContact CG2-CD1 4.23Å; L352-I615 HydrophobicContact CD1-CG1 3.77Å; V611-I615 HydrophobicContact CG1-CD1 4.45Å; V611-I615 WeakPolarHBondContact O-CG1 3.46Å; V611-I615 PolarHBondContact O-N 3.45Å; I612-I615 PolarHBondContact O-N 3.37Å; I615-L617 VanDerWaalsContact C-N 3.34Å; I615-L617 PolarHBondContact O-N 3.26Å; I615-W618 PolarHBondContact O-N 3.19Å; I615-M619 PolarHBondContact O-N 2.88Å; I615-M619 VanDerWaalsContact O-N 3.08Å
616	F	87.9	Confident	87.3	Confident	51 Å²	51	49.1 Å²	49.1	22%	0.224	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-38.5	-178.8	-74	-65.3	0	0	0	111.3	F261 I319 I612 D613 W618 M619 F620	F261-F616 HydrophobicContact CD1-CB 4.08Å; F261-F616 HydrophobicContact CE1-CB 3.95Å; F261-F616 HydrophobicContact CZ-CB 4.28Å; I319-F616 HydrophobicContact CD1-CE1 4.09Å; I319-F616 HydrophobicContact CD1-CE2 4.26Å; I319-F616 HydrophobicContact CD1-CZ 3.75Å; I319-F616 HydrophobicContact CG1-CE1 4.21Å; I319-F616 HydrophobicContact CG1-CZ 4.23Å; I319-F616 HydrophobicContact CG2-CB 4.42Å; I319-F616 HydrophobicContact CG2-CD1 4.15Å; I319-F616 HydrophobicContact CG2-CD2 3.35Å; I319-F616 HydrophobicContact CG2-CE1 4.25Å; I319-F616 HydrophobicContact CG2-CE2 3.45Å; I319-F616 VanDerWaalsContact CG2-CE2 3.45Å; I319-F616 HydrophobicContact CG2-CG 3.73Å; I319-F616 HydrophobicContact CG2-CZ 3.93Å; I612-F616 HydrophobicContact CG2-CD2 3.54Å; I612-F616 HydrophobicContact CG2-CE2 3.42Å; I612-F616 VanDerWaalsContact CG2-CE2 3.42Å; I612-F616 WeakPolarHBondContact O-CD2 3.19Å; I612-F616 PolarHBondContact O-N 3.44Å; I612-F616 VanDerWaalsContact O-N 3.09Å; D613-F616 PolarHBondContact O-N 3.46Å; F616-W618 PolarHBondContact O-N 2.95Å; F616-M619 HydrophobicContact CD1-CE 4.02Å; F616-M619 PolarHBondContact O-N 3.42Å; F616-F620 HydrophobicContact CB-CD2 4.25Å; F616-F620 HydrophobicContact CB-CE2 4.46Å; F616-F620 HydrophobicContact CD1-CE2 4.34Å; F616-F620 WeakPolarHBondContact O-CB 3.42Å; F616-F620 VanDerWaalsContact O-CD2 3.24Å; F616-F620 WeakPolarHBondContact O-CD2 3.37Å; F616-F620 PolarHBondContact O-N 3.19Å
617	L	89.4	Confident	87.2	Confident	18 Å²	18	46.9 Å²	46.9	9%	0.094	23%	0.231	C	C	.	.	H	α-helix	trans	-51.9	-53.3	173	-175.7	153.6	0	0	0	111.9	V258 F261 Y262 D613 R614 I615 M619 F620 V621	V258-L617 HydrophobicContact CG1-CG 4.35Å; F261-L617 HydrophobicContact CB-CB 3.85Å; F261-L617 HydrophobicContact CB-CD1 4.39Å; F261-L617 HydrophobicContact CB-CG 4.43Å; Y262-L617 HydrophobicContact CD2-CD1 3.98Å; Y262-L617 HydrophobicContact CG-CD1 4.48Å; D613-L617 VanDerWaalsContact O-CB 3.28Å; D613-L617 WeakPolarHBondContact O-CB 3.39Å; D613-L617 PolarHBondContact O-N 3.42Å; R614-L617 PolarHBondContact O-N 2.89Å; I615-L617 VanDerWaalsContact C-N 3.34Å; I615-L617 PolarHBondContact O-N 3.26Å; L617-M619 VanDerWaalsContact C-N 3.35Å; L617-M619 PolarHBondContact O-N 3.47Å; L617-F620 PolarHBondContact O-N 3.13Å; L617-V621 HydrophobicContact CD2-CG2 3.94Å; L617-V621 WeakPolarHBondContact O-CB 3.39Å; L617-V621 WeakPolarHBondContact O-CG2 3.37Å; L617-V621 PolarHBondContact O-N 3.35Å
618	W	88.4	Confident	87.1	Confident	157 Å²	157	47.9 Å²	47.9	60%	0.595	24%	0.24	S	C	*	.	H	α-helix	trans	-66.1	-36.6	-179.1	-77	109.4	0	0	0	113.1	R614 I615 F616 L622	R614-W618 PolarHBondContact O-N 2.86Å; I615-W618 PolarHBondContact O-N 3.19Å; F616-W618 PolarHBondContact O-N 2.95Å; W618-L622 PolarHBondContact O-N 3.43Å; W618-L622 VanDerWaalsContact O-N 3.07Å
619	M	88.2	Confident	87	Confident	74 Å²	74	50.2 Å²	50.2	37%	0.365	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-49.2	174.6	-171.4	-78.9	-72.8	0	0	111	I615 F616 L617 L622 V623	I615-M619 PolarHBondContact O-N 2.88Å; I615-M619 VanDerWaalsContact O-N 3.08Å; F616-M619 HydrophobicContact CD1-CE 4.02Å; F616-M619 PolarHBondContact O-N 3.42Å; L617-M619 VanDerWaalsContact C-N 3.35Å; L617-M619 PolarHBondContact O-N 3.47Å; M619-L622 PolarHBondContact O-N 3.03Å; M619-V623 WeakPolarHBondContact O-CG2 3.5Å; M619-V623 PolarHBondContact O-N 2.64Å; M619-V623 HydrophobicContact SD-CG2 3.87Å
620	F	87.4	Confident	86.7	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-38.3	178.8	-85.6	-88.1	0	0	0	112.3	V258 F261 F312 F616 L617 L622 V623 C624	V258-F620 HydrophobicContact CG2-CB 4.37Å; F261-F620 HydrophobicContact CD2-CD2 4.17Å; F261-F620 HydrophobicContact CD2-CG 4.4Å; F261-F620 HydrophobicContact CE2-CB 4.36Å; F261-F620 HydrophobicContact CE2-CD1 4.25Å; F261-F620 AromaticContact CE2-CD2 3.39Å; F261-F620 HydrophobicContact CE2-CD2 3.39Å; F261-F620 HydrophobicContact CE2-CE1 4.41Å; F261-F620 AromaticContact CE2-CE2 3.62Å; F261-F620 HydrophobicContact CE2-CE2 3.62Å; F261-F620 AromaticContact CE2-CG 3.75Å; F261-F620 HydrophobicContact CE2-CG 3.75Å; F261-F620 HydrophobicContact CE2-CZ 4.14Å; F261-F620 AromaticContact CZ-CD2 3.77Å; F261-F620 HydrophobicContact CZ-CD2 3.77Å; F261-F620 AromaticContact CZ-CE2 3.55Å; F261-F620 HydrophobicContact CZ-CE2 3.55Å; F261-F620 HydrophobicContact CZ-CZ 4.12Å; F312-F620 HydrophobicContact CB-CE1 4.04Å; F312-F620 HydrophobicContact CD1-CD1 4.23Å; F312-F620 AromaticContact CD1-CE1 3.73Å; F312-F620 HydrophobicContact CD1-CE1 3.73Å; F312-F620 HydrophobicContact CD1-CZ 4.36Å; F312-F620 HydrophobicContact CG-CE1 4.37Å; F312-F620 WeakPolarHBondContact O-CE1 3.21Å; F616-F620 HydrophobicContact CB-CD2 4.25Å; F616-F620 HydrophobicContact CB-CE2 4.46Å; F616-F620 HydrophobicContact CD1-CE2 4.34Å; F616-F620 WeakPolarHBondContact O-CB 3.42Å; F616-F620 VanDerWaalsContact O-CD2 3.24Å; F616-F620 WeakPolarHBondContact O-CD2 3.37Å; F616-F620 PolarHBondContact O-N 3.19Å; L617-F620 PolarHBondContact O-N 3.13Å; F620-L622 PolarHBondContact O-N 3.21Å; F620-V623 PolarHBondContact O-N 3.16Å; F620-C624 WeakPolarHBondContact O-CB 3.19Å; F620-C624 PolarHBondContact O-N 2.85Å; F620-C624 PolarHBondContact O-SG 3.39Å
621	V	88.8	Confident	86.3	Confident	38 Å²	38	49 Å²	49	23%	0.23	26%	0.264	C	S	.	.	H	α-helix	trans	-57	-49.1	172.6	167.6	0	0	0	0	110.9	V258 L617 V623 C624 I625	V258-V621 HydrophobicContact CG1-CG2 3.41Å; V258-V621 VanDerWaalsContact CG1-CG2 3.41Å; L617-V621 HydrophobicContact CD2-CG2 3.94Å; L617-V621 WeakPolarHBondContact O-CB 3.39Å; L617-V621 WeakPolarHBondContact O-CG2 3.37Å; L617-V621 PolarHBondContact O-N 3.35Å; V621-V623 VanDerWaalsContact C-N 3.34Å; V621-V623 PolarHBondContact O-N 3.02Å; V621-C624 PolarHBondContact O-N 3.32Å; V621-I625 HydrophobicContact CG1-CD1 3.71Å; V621-I625 HydrophobicContact CG1-CG1 4.46Å; V621-I625 VanDerWaalsContact O-CG1 3.29Å; V621-I625 WeakPolarHBondContact O-CG1 3.17Å; V621-I625 PolarHBondContact O-N 3.48Å
622	L	88	Confident	85.9	Confident	107 Å²	107	52.1 Å²	52.1	56%	0.56	28%	0.278	S	S	*	.	H	α-helix	trans	-59.5	-47.2	179.3	-173.7	88.1	0	0	0	110.8	W618 M619 F620 I625 L626	W618-L622 PolarHBondContact O-N 3.43Å; W618-L622 VanDerWaalsContact O-N 3.07Å; M619-L622 PolarHBondContact O-N 3.03Å; F620-L622 PolarHBondContact O-N 3.21Å; L622-I625 PolarHBondContact O-N 2.82Å; L622-L626 HydrophobicContact CD2-CD1 4.15Å; L622-L626 HydrophobicContact CG-CD1 3.99Å; L622-L626 HydrophobicContact CG-CG 4.48Å; L622-L626 WeakPolarHBondContact O-CB 3.5Å; L622-L626 VanDerWaalsContact O-CG 3.29Å; L622-L626 WeakPolarHBondContact O-CG 3.37Å; L622-L626 PolarHBondContact O-N 2.97Å
623	V	86.4	Confident	85.6	Confident	25 Å²	25	56 Å²	56	15%	0.152	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-43.5	179	171.8	0	0	0	0	111.5	F308 F312 M619 F620 V621 I625 L626 G627	F308-V623 HydrophobicContact CE1-CG1 3.6Å; F308-V623 HydrophobicContact CZ-CG1 3.66Å; F312-V623 HydrophobicContact CD1-CG1 4.05Å; F312-V623 HydrophobicContact CD2-CG1 4.19Å; F312-V623 HydrophobicContact CE1-CB 4.47Å; F312-V623 HydrophobicContact CE1-CG1 3.77Å; F312-V623 HydrophobicContact CE1-CG2 4.21Å; F312-V623 HydrophobicContact CE2-CG1 4Å; F312-V623 HydrophobicContact CG-CG1 4.25Å; F312-V623 HydrophobicContact CZ-CG1 3.75Å; F312-V623 HydrophobicContact CZ-CG2 4.47Å; M619-V623 WeakPolarHBondContact O-CG2 3.5Å; M619-V623 PolarHBondContact O-N 2.64Å; M619-V623 HydrophobicContact SD-CG2 3.87Å; F620-V623 PolarHBondContact O-N 3.16Å; V621-V623 VanDerWaalsContact C-N 3.34Å; V621-V623 PolarHBondContact O-N 3.02Å; V623-I625 VanDerWaalsContact C-N 3.35Å; V623-I625 PolarHBondContact O-N 3.07Å; V623-L626 PolarHBondContact O-N 2.82Å; V623-G627 PolarHBondContact O-N 3.47Å
624	C	85.1	Confident	85.2	Confident	29 Å²	29	57.7 Å²	57.7	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-40.5	176.6	-72.5	0	0	0	0	112.2	V258 F620 V621 S628	V258-C624 HydrophobicContact CG2-CB 4.38Å; V258-C624 VanDerWaalsContact CG2-SG 3.58Å; F620-C624 WeakPolarHBondContact O-CB 3.19Å; F620-C624 PolarHBondContact O-N 2.85Å; F620-C624 PolarHBondContact O-SG 3.39Å; V621-C624 PolarHBondContact O-N 3.32Å; C624-S628 VanDerWaalsContact O-CB 3.24Å; C624-S628 WeakPolarHBondContact O-CB 3.22Å; C624-S628 PolarHBondContact O-N 3.28Å; C624-S628 PolarHBondContact O-OG 3.48Å
625	I	86.8	Confident	84.6	Confident	108 Å²	108	54.2 Å²	54.2	55%	0.554	30%	0.297	S	S	*	.	H	α-helix	trans	-65.4	-47.3	175.9	-68.3	168.1	0	0	0	110.4	V621 L622 V623 S628 A629	V621-I625 HydrophobicContact CG1-CD1 3.71Å; V621-I625 HydrophobicContact CG1-CG1 4.46Å; V621-I625 VanDerWaalsContact O-CG1 3.29Å; V621-I625 WeakPolarHBondContact O-CG1 3.17Å; V621-I625 PolarHBondContact O-N 3.48Å; L622-I625 PolarHBondContact O-N 2.82Å; V623-I625 VanDerWaalsContact C-N 3.35Å; V623-I625 PolarHBondContact O-N 3.07Å; I625-S628 PolarHBondContact O-N 2.85Å; I625-A629 VanDerWaalsContact O-CB 3.3Å; I625-A629 WeakPolarHBondContact O-CB 3.32Å; I625-A629 PolarHBondContact O-N 3.39Å
626	L	86.3	Confident	84.1	Confident	112 Å²	112	59.3 Å²	59.3	59%	0.586	31%	0.312	S	S	*	.	H	α-helix	trans	-64	-41	178.4	-70.5	173.3	0	0	0	112	L622 V623 A629 G630	L622-L626 HydrophobicContact CD2-CD1 4.15Å; L622-L626 HydrophobicContact CG-CD1 3.99Å; L622-L626 HydrophobicContact CG-CG 4.48Å; L622-L626 WeakPolarHBondContact O-CB 3.5Å; L622-L626 VanDerWaalsContact O-CG 3.29Å; L622-L626 WeakPolarHBondContact O-CG 3.37Å; L622-L626 PolarHBondContact O-N 2.97Å; V623-L626 PolarHBondContact O-N 2.82Å; L626-A629 PolarHBondContact O-N 3.23Å; L626-G630 PolarHBondContact O-N 2.83Å
627	G	83	Confident	83.6	Confident	15 Å²	15	62.8 Å²	62.8	16%	0.155	33%	0.333	C	S	.	.	H	α-helix	trans	-65.8	-43.6	176.2	0	0	0	0	0	112.3	V623 G630 L631	V623-G627 PolarHBondContact O-N 3.47Å; G627-G630 PolarHBondContact O-N 3.25Å; G627-L631 PolarHBondContact O-N 2.9Å; G627-L631 VanDerWaalsContact O-N 3.07Å
628	S	83.4	Confident	82.8	Confident	32 Å²	32	64.7 Å²	64.7	22%	0.224	35%	0.351	C	S	.	.	H	α-helix	trans	-63.8	-42.6	175.1	-66.1	0	0	0	0	111.4	C624 I625 G630 L631 F632	C624-S628 VanDerWaalsContact O-CB 3.24Å; C624-S628 WeakPolarHBondContact O-CB 3.22Å; C624-S628 PolarHBondContact O-N 3.28Å; C624-S628 PolarHBondContact O-OG 3.48Å; I625-S628 PolarHBondContact O-N 2.85Å; S628-G630 VanDerWaalsContact C-N 3.34Å; S628-L631 PolarHBondContact O-N 3.45Å; S628-F632 WeakPolarHBondContact O-CD2 3.36Å; S628-F632 PolarHBondContact O-N 3.15Å
629	A	84.3	Confident	82	Confident	51 Å²	51	60 Å²	60	42%	0.421	35%	0.352	S	S	.	.	H	α-helix	trans	-62.2	-41.9	173.7	0	0	0	0	0	111.4	I625 L626 L631 F632 L633	I625-A629 VanDerWaalsContact O-CB 3.3Å; I625-A629 WeakPolarHBondContact O-CB 3.32Å; I625-A629 PolarHBondContact O-N 3.39Å; L626-A629 PolarHBondContact O-N 3.23Å; A629-L631 VanDerWaalsContact C-N 3.26Å; A629-L631 PolarHBondContact O-N 3.07Å; A629-F632 PolarHBondContact O-N 2.95Å; A629-L633 WeakPolarHBondContact O-CB 3.25Å; A629-L633 PolarHBondContact O-N 3.43Å
630	G	79.9	Confident	81.1	Confident	40 Å²	40	59.1 Å²	59.1	41%	0.412	35%	0.347	S	S	.	.	H	α-helix	trans	-61.8	-29.2	176.3	0	0	0	0	0	114.2	L626 G627 S628 P634	L626-G630 PolarHBondContact O-N 2.83Å; G627-G630 PolarHBondContact O-N 3.25Å; S628-G630 VanDerWaalsContact C-N 3.34Å; G630-P634 WeakPolarHBondContact O-CD 3.47Å; G630-P634 WeakPolarHBondContact O-CG 3.38Å
631	L	78.4	Confident	79.9	Confident	14 Å²	14	64.1 Å²	64.1	7%	0.073	37%	0.373	C	S	.	.	H	α-helix	trans	-76.3	-43.5	177	-174.8	149	0	0	0	112.6	L301 I302 Y305 G627 S628 A629 P635	L301-L631 VanDerWaalsContact CD2-O 3.28Å; L301-L631 WeakPolarHBondContact CD2-O 3.42Å; I302-L631 HydrophobicContact CD1-CD1 3.93Å; Y305-L631 HydrophobicContact CD1-CD1 3.79Å; Y305-L631 HydrophobicContact CD2-CB 4.49Å; Y305-L631 HydrophobicContact CD2-CD1 4.03Å; Y305-L631 HydrophobicContact CE1-CD1 4.44Å; Y305-L631 HydrophobicContact CG-CD1 3.55Å; G627-L631 PolarHBondContact O-N 2.9Å; G627-L631 VanDerWaalsContact O-N 3.07Å; S628-L631 PolarHBondContact O-N 3.45Å; A629-L631 VanDerWaalsContact C-N 3.26Å; A629-L631 PolarHBondContact O-N 3.07Å; L631-P635 VanDerWaalsContact O-CD 3.26Å; L631-P635 WeakPolarHBondContact O-CD 3.45Å
632	F	78.9	Confident	79.4	Confident	66 Å²	66	65.5 Å²	65.5	29%	0.289	38%	0.38	S	S	.	.	H	α-helix	trans	-92.7	-22.4	-173.7	-70.8	-72.3	0	0	0	114.4	I247 L251 S628 A629 P635 W636 I641	I247-F632 HydrophobicContact CG2-CE1 4.37Å; I247-F632 HydrophobicContact CG2-CZ 3.76Å; L251-F632 HydrophobicContact CD1-CE2 3.86Å; L251-F632 HydrophobicContact CD1-CZ 3.89Å; L251-F632 HydrophobicContact CD2-CE2 4.21Å; S628-F632 WeakPolarHBondContact O-CD2 3.36Å; S628-F632 PolarHBondContact O-N 3.15Å; A629-F632 PolarHBondContact O-N 2.95Å; F632-P635 WeakPolarHBondContact O-CD 3.43Å; F632-W636 WeakPolarHBondContact O-CB 3.4Å; F632-W636 PolarHBondContact O-N 3.34Å; F632-I641 HydrophobicContact CD1-CD1 4.09Å
633	L	81.3	Confident	79	Confident	90 Å²	90	63.3 Å²	63.3	47%	0.471	37%	0.371	S	S	.	.	H	α-helix	trans	-64.9	-45	-178.4	-174.2	73.2	0	0	0	112.9	A629 W636 L637	A629-L633 WeakPolarHBondContact O-CB 3.25Å; A629-L633 PolarHBondContact O-N 3.43Å; L633-W636 HydrophobicContact CD1-CE3 4.2Å; L633-W636 PolarHBondContact O-N 2.91Å; L633-L637 HydrophobicContact CD1-CD1 4.3Å; L633-L637 HydrophobicContact CD1-CG 4.31Å; L633-L637 HydrophobicContact CD2-CD1 4.47Å; L633-L637 HydrophobicContact CG-CD1 3.92Å; L633-L637 HydrophobicContact CG-CG 4.31Å; L633-L637 WeakPolarHBondContact O-CB 3.43Å; L633-L637 VanDerWaalsContact O-CG 3.29Å; L633-L637 WeakPolarHBondContact O-CG 3.35Å; L633-L637 PolarHBondContact O-N 2.92Å
634	P	79.3	Confident	78.6	Confident	44 Å²	44	65.4 Å²	65.4	29%	0.286	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-47.8	-179	-17.9	30	0	0	0	113.7	F163 L301 G630 W636 L637 A638	F163-P634 HydrophobicContact CE1-CB 3.97Å; L301-P634 HydrophobicContact CD2-CB 4.48Å; L301-P634 HydrophobicContact CD2-CG 4.13Å; G630-P634 WeakPolarHBondContact O-CD 3.47Å; G630-P634 WeakPolarHBondContact O-CG 3.38Å; P634-W636 VanDerWaalsContact C-N 3.31Å; P634-W636 PolarHBondContact O-N 3.29Å; P634-L637 PolarHBondContact O-N 3.35Å; P634-A638 WeakPolarHBondContact O-CB 3.29Å; P634-A638 PolarHBondContact O-N 3.21Å
635	P	75.4	Confident	78.2	Confident	5 Å²	5	67.5 Å²	67.5	3%	0.032	39%	0.394	C	S	.	.	H	α-helix	trans	-64.6	-33.7	176.7	-20.8	32.2	0	0	0	113.5	F163 F166 L301 L631 F632 A638 G639 M640 I641	F163-P635 HydrophobicContact CD1-CG 4.15Å; F166-P635 HydrophobicContact CD2-CB 4.46Å; L301-P635 HydrophobicContact CD2-CG 4.46Å; L631-P635 VanDerWaalsContact O-CD 3.26Å; L631-P635 WeakPolarHBondContact O-CD 3.45Å; F632-P635 WeakPolarHBondContact O-CD 3.43Å; P635-A638 PolarHBondContact O-N 2.98Å; P635-G639 PolarHBondContact O-N 3.2Å; P635-M640 HydrophobicContact CB-CE 4.22Å; P635-M640 PolarHBondContact O-N 2.96Å; P635-I641 HydrophobicContact CB-CD1 3.66Å; P635-I641 HydrophobicContact CB-CG1 3.86Å; P635-I641 HydrophobicContact CG-CD1 4.42Å
636	W	79.5	Confident	77.6	Confident	165 Å²	165	65 Å²	65	63%	0.625	38%	0.384	S	S	*	.	H	α-helix	trans	-66.6	-45	175.1	-178.5	75.5	0	0	0	112.1	F632 L633 P634 A638 G639	F632-W636 WeakPolarHBondContact O-CB 3.4Å; F632-W636 PolarHBondContact O-N 3.34Å; L633-W636 HydrophobicContact CD1-CE3 4.2Å; L633-W636 PolarHBondContact O-N 2.91Å; P634-W636 VanDerWaalsContact C-N 3.31Å; P634-W636 PolarHBondContact O-N 3.29Å; W636-A638 PolarHBondContact O-N 2.84Å; W636-G639 PolarHBondContact O-N 2.99Å
637	L	78.3	Confident	77.1	Confident	124 Å²	124	61.9 Å²	61.9	65%	0.649	37%	0.371	S	S	*	.	H	α-helix	trans	-63.6	-31.8	175.2	-73	174.1	0	0	0	112.5	L633 P634 G639	L633-L637 HydrophobicContact CD1-CD1 4.3Å; L633-L637 HydrophobicContact CD1-CG 4.31Å; L633-L637 HydrophobicContact CD2-CD1 4.47Å; L633-L637 HydrophobicContact CG-CD1 3.92Å; L633-L637 HydrophobicContact CG-CG 4.31Å; L633-L637 WeakPolarHBondContact O-CB 3.43Å; L633-L637 VanDerWaalsContact O-CG 3.29Å; L633-L637 WeakPolarHBondContact O-CG 3.35Å; L633-L637 PolarHBondContact O-N 2.92Å; P634-L637 PolarHBondContact O-N 3.35Å; L637-G639 PolarHBondContact O-N 2.92Å
638	A	71.8	Confident	76.6	Confident	59 Å²	59	65.2 Å²	65.2	49%	0.488	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.2	175.6	0	0	0	0	0	113.7	P634 P635 W636 M640	P634-A638 WeakPolarHBondContact O-CB 3.29Å; P634-A638 PolarHBondContact O-N 3.21Å; P635-A638 PolarHBondContact O-N 2.98Å; W636-A638 PolarHBondContact O-N 2.84Å; A638-M640 VanDerWaalsContact C-N 3.25Å; A638-M640 HydrophobicContact CB-CE 3.66Å; A638-M640 HydrophobicContact CB-CG 4.04Å; A638-M640 HydrophobicContact CB-SD 4.24Å; A638-M640 PolarHBondContact O-N 2.96Å
639	G	72.4	Confident	76.1	Confident	58 Å²	58	67.8 Å²	67.8	60%	0.598	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	26	-179.2	0	0	0	0	0	113.8	P635 W636 L637	P635-G639 PolarHBondContact O-N 3.2Å; W636-G639 PolarHBondContact O-N 2.99Å; L637-G639 PolarHBondContact O-N 2.92Å
640	M	68.9	Low	75.4	Confident	56 Å²	56	69.2 Å²	69.2	28%	0.276	40%	0.397	S	S	.	.			trans	-93.9	-14.6	178.9	-59.7	-175.6	-57.1	0	0	112.6	F163 F166 P635 A638	F163-M640 HydrophobicContact CB-CE 3.52Å; F163-M640 HydrophobicContact CD1-CE 3.8Å; F163-M640 HydrophobicContact CD2-CE 3.57Å; F163-M640 HydrophobicContact CD2-SD 4.41Å; F163-M640 HydrophobicContact CE1-CE 4.37Å; F163-M640 HydrophobicContact CE2-CE 4.17Å; F163-M640 HydrophobicContact CG-CE 3.34Å; F166-M640 HydrophobicContact CB-CB 4.12Å; F166-M640 VanDerWaalsContact O-SD 3.34Å; P635-M640 HydrophobicContact CB-CE 4.22Å; P635-M640 PolarHBondContact O-N 2.96Å; A638-M640 VanDerWaalsContact C-N 3.25Å; A638-M640 HydrophobicContact CB-CE 3.66Å; A638-M640 HydrophobicContact CB-CG 4.04Å; A638-M640 HydrophobicContact CB-SD 4.24Å; A638-M640 PolarHBondContact O-N 2.96Å
641	I	61	Low	75	Confident	109 Å²	109	71.8 Å²	71.8	56%	0.559	40%	0.395	S	S	*	.			trans	-109	0	165.7	-54.9	174.7	0	0	0	106.9	F166 F632 P635	F166-I641 HydrophobicContact CD1-CG1 3.91Å; F166-I641 HydrophobicContact CD2-CD1 4.3Å; F166-I641 HydrophobicContact CD2-CG1 4.15Å; F166-I641 HydrophobicContact CE1-CG1 3.99Å; F166-I641 HydrophobicContact CE2-CD1 4.13Å; F166-I641 HydrophobicContact CE2-CG1 4.22Å; F166-I641 HydrophobicContact CG-CG1 4Å; F166-I641 HydrophobicContact CZ-CD1 4.32Å; F166-I641 HydrophobicContact CZ-CG1 4.15Å; F632-I641 HydrophobicContact CD1-CD1 4.09Å; P635-I641 HydrophobicContact CB-CD1 3.66Å; P635-I641 HydrophobicContact CB-CG1 3.86Å; P635-I641 HydrophobicContact CG-CD1 4.42Å

Retrieved 641 of 641 residues in 725.9 ms (Link to these results)

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