A0A087XXE4_POEFO Loading...

Cholinergic receptor nicotinic beta 3 subunit b

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 A0A087XXE4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 485 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	M	53.4	Low	50.2	Low	228 Å²	228	150 Å²	150	100%	1.123	75%	0.752	S	S	*	*				0	51.3	0	-158	168.5	80.9	0	0	112.4
2	K	50.5	Low	49.7	Very low	190 Å²	190	151.1 Å²	151.1	83%	0.826	76%	0.761	S	S	*	*			trans	-137.7	4.6	173	-79.1	-175.1	176	176.3	0	112.8
3	L	49	Very low	49.7	Very low	157 Å²	157	145.6 Å²	145.6	82%	0.822	75%	0.753	S	S	*	*	S	Bend	trans	-100	-25.1	-179.3	-134.1	79.1	0	0	0	113
4	V	52.6	Low	49.6	Very low	109 Å²	109	144.1 Å²	144.1	66%	0.661	75%	0.753	S	S	*	*	H	α-helix	trans	-79	-29.4	-179.5	-179.1	0	0	0	0	112.2	L7	V4-L7 PolarHBondContact O-N 3.17Å
5	V	54.4	Low	48.8	Very low	98 Å²	98	143.3 Å²	143.3	59%	0.594	76%	0.762	S	S	*	*	H	α-helix	trans	-76.5	-29.5	-179	-179.7	0	0	0	0	112.3	L7	V5-L7 VanDerWaalsContact C-N 3.34Å
6	R	50.6	Low	48.6	Very low	201 Å²	201	141.1 Å²	141.1	76%	0.758	76%	0.758	S	S	*	*	H	α-helix	trans	-76.2	-21.4	175.6	-84.2	-176.2	172.4	-178.8	-2.5	113.3
7	L	50	Low	48.4	Very low	127 Å²	127	140.5 Å²	140.5	67%	0.665	76%	0.761	S	S	*	*	H	α-helix	trans	-80.2	-26.9	177.3	-145.4	78.9	0	0	0	112.5	V4 V5	V4-L7 PolarHBondContact O-N 3.17Å; V5-L7 VanDerWaalsContact C-N 3.34Å
8	L	49.7	Very low	47.7	Very low	126 Å²	126	139.9 Å²	139.9	66%	0.66	77%	0.767	S	S	*	*	H	α-helix	trans	-77.3	-25.2	175.7	-116.6	90.4	0	0	0	113.6
9	L	50.6	Low	47.6	Very low	131 Å²	131	146 Å²	146	69%	0.686	78%	0.778	S	S	*	*	S	Bend	trans	-79.6	-15.3	-179.8	-95.9	148	0	0	0	113.7
10	L	47.3	Very low	47	Very low	137 Å²	137	141.9 Å²	141.9	72%	0.717	77%	0.771	S	S	*	*	S	Bend	trans	-92.9	-10.6	178.8	-90.4	149.8	0	0	0	113.8
11	L	44	Very low	46.8	Very low	146 Å²	146	140.1 Å²	140.1	76%	0.764	78%	0.776	S	S	*	*	S	Bend	trans	-93.6	-4	-179.3	-91.3	154.8	0	0	0	114.7
12	L	44.5	Very low	46	Very low	163 Å²	163	133.9 Å²	133.9	85%	0.853	76%	0.761	S	S	*	*	S	Bend	trans	-100.7	4	176.6	-77.7	163.9	0	0	0	113.9
13	A	49.4	Very low	45.6	Very low	80 Å²	80	130 Å²	130	66%	0.661	76%	0.758	S	S	*	*	S	Bend	trans	-102.3	14.9	-174.8	0	0	0	0	0	115
14	V	48.1	Very low	45.2	Very low	125 Å²	125	127.1 Å²	127.1	76%	0.758	75%	0.75	S	S	*	*			trans	-143.7	91.1	174.9	-171.4	0	0	0	0	111.4
15	C	37.6	Very low	45	Very low	131 Å²	131	126.3 Å²	126.3	89%	0.885	75%	0.748	S	S	*	*			trans	-150.6	120.1	143.5	-102.8	0	0	0	0	109.7
16	P	46.6	Very low	45	Very low	108 Å²	108	126.3 Å²	126.3	70%	0.701	75%	0.752	S	S	*	*			trans	-90.9	152.4	-179.6	38.1	-33.4	0	0	0	111.2
17	V	43.9	Very low	45.1	Very low	132 Å²	132	125.5 Å²	125.5	80%	0.8	75%	0.754	S	S	*	*			trans	64.1	103.7	161.5	-169.9	0	0	0	0	117.3
18	C	36.2	Very low	45.3	Very low	130 Å²	130	127.5 Å²	127.5	88%	0.878	76%	0.757	S	S	*	*				-140.9	106	125.1	-92.7	0	0	0	0	108.7	G20	C18-G20 VanDerWaalsContact C-N 3.29Å; C18-G20 PolarHBondContact O-N 3.06Å
19	R	47.2	Very low	46.3	Very low	255 Å²	255	124.7 Å²	124.7	96%	0.962	75%	0.745	S	S	*	*			trans	-61.7	94.9	158.4	-91.7	175	167.8	167.5	-3.7	107.3
20	G	35.2	Very low	47.9	Very low	63 Å²	63	122.9 Å²	122.9	65%	0.649	74%	0.736	S	S	*	*			trans	-117	105.8	158.4	0	0	0	0	0	106.6	C18 A22	C18-G20 VanDerWaalsContact C-N 3.29Å; C18-G20 PolarHBondContact O-N 3.06Å; G20-A22 PolarHBondContact O-N 2.97Å
21	A	43.3	Very low	49.8	Very low	106 Å²	106	119.5 Å²	119.5	88%	0.876	73%	0.728	S	S	*	*			trans	-62.4	89	161.3	0	0	0	0	0	106.7	S23	A21-S23 PolarHBondContact O-N 3.34Å
22	A	36.1	Very low	51.9	Low	96 Å²	96	119.1 Å²	119.1	79%	0.793	72%	0.722	S	S	*	*			trans	-71.8	88.1	164.4	0	0	0	0	0	105.8	G20 S24	G20-A22 PolarHBondContact O-N 2.97Å; A22-S24 PolarHBondContact O-N 3.01Å
23	S	41.7	Very low	54.1	Low	109 Å²	109	115 Å²	115	76%	0.762	70%	0.697	S	S	*	*			trans	-56.1	98.3	158.4	53.2	0	0	0	0	106.9	A21	A21-S23 PolarHBondContact O-N 3.34Å
24	S	40.8	Very low	56.1	Low	96 Å²	96	114.6 Å²	114.6	67%	0.671	68%	0.682	S	S	*	*			trans	-49.7	122.9	164.2	173	0	0	0	0	107.9	A22 S26	A22-S24 PolarHBondContact O-N 3.01Å; S24-S26 PolarHBondContact O-N 3.06Å
25	P	47.3	Very low	58.3	Low	93 Å²	93	112.4 Å²	112.4	60%	0.604	67%	0.666	S	S	*	*			trans	-69.9	102.2	176.5	27.3	-29.1	0	0	0	108	K27	P25-K27 PolarHBondContact O-N 2.95Å
26	S	54.8	Low	60.9	Low	97 Å²	97	108.4 Å²	108.4	68%	0.678	64%	0.642	S	S	*	*	S	Bend	trans	34.2	33.7	137	59.4	0	0	0	0	119.8	S24	S24-S26 PolarHBondContact O-N 3.06Å
27	K	53	Low	63.2	Low	184 Å²	184	103.3 Å²	103.3	80%	0.8	61%	0.609	S	S	*	*			trans	-82.3	-18	176.2	-77.6	-178.4	-179.2	-178.9	0	114.1	P25	P25-K27 PolarHBondContact O-N 2.95Å
28	F	53.9	Low	65.6	Low	170 Å²	170	99.4 Å²	99.4	75%	0.746	58%	0.583	S	S	*	*	S	Bend	trans	-80.6	-14	-179.7	-78.6	-85.9	0	0	0	114.4
29	V	71.9	Confident	68.3	Low	66 Å²	66	99.2 Å²	99.2	40%	0.4	57%	0.567	S	S	.	*	H	α-helix	trans	-78.1	-29.9	-170.4	-179.2	0	0	0	0	113.4	K33	V29-K33 HydrophobicContact CG1-CD 3.89Å; V29-K33 HydrophobicContact CG1-CG 4.27Å; V29-K33 WeakPolarHBondContact O-CB 3.47Å; V29-K33 VanDerWaalsContact O-CG 3.26Å; V29-K33 WeakPolarHBondContact O-CG 3.44Å; V29-K33 PolarHBondContact O-N 2.84Å
30	L	83.1	Confident	70.6	Confident	93 Å²	93	92.6 Å²	92.6	49%	0.487	55%	0.546	S	S	.	.	H	α-helix	trans	-75	-41.8	-171.1	-168	67.3	0	0	0	112.8	K33 E34 I105	L30-K33 PolarHBondContact O-N 3.35Å; L30-E34 PolarHBondContact O-N 2.91Å; L30-I105 HydrophobicContact CD1-CD1 4.02Å; L30-I105 HydrophobicContact CD1-CG1 3.71Å
31	A	86.5	Confident	73.4	Confident	67 Å²	67	90.5 Å²	90.5	55%	0.554	52%	0.519	S	S	*	.	H	α-helix	trans	-66.7	-39.1	179.6	0	0	0	0	0	112.2	K33 E34 D35	A31-K33 VanDerWaalsContact C-N 3.35Å; A31-E34 PolarHBondContact O-N 3.17Å; A31-D35 PolarHBondContact O-N 2.94Å
32	E	89.1	Confident	75.8	Confident	137 Å²	137	88 Å²	88	64%	0.64	49%	0.489	S	S	*	.	H	α-helix	trans	-65.1	-38.9	174.2	-69	179.5	174.2	0	0	111.8	D35 A36	E32-D35 PolarHBondContact O-N 3.44Å; E32-A36 WeakPolarHBondContact O-CB 3.45Å; E32-A36 PolarHBondContact O-N 2.86Å
33	K	90.8	Very high	78.6	Confident	76 Å²	76	88.9 Å²	88.9	33%	0.33	49%	0.485	S	S	.	.	H	α-helix	trans	-66.6	-37.3	174	-75.6	-175.9	176	-168.8	0	112.4	V29 L30 A31 L37 I105	V29-K33 HydrophobicContact CG1-CD 3.89Å; V29-K33 HydrophobicContact CG1-CG 4.27Å; V29-K33 WeakPolarHBondContact O-CB 3.47Å; V29-K33 VanDerWaalsContact O-CG 3.26Å; V29-K33 WeakPolarHBondContact O-CG 3.44Å; V29-K33 PolarHBondContact O-N 2.84Å; L30-K33 PolarHBondContact O-N 3.35Å; A31-K33 VanDerWaalsContact C-N 3.35Å; K33-L37 VanDerWaalsContact O-CB 3.31Å; K33-L37 WeakPolarHBondContact O-CB 3.21Å; K33-L37 PolarHBondContact O-N 3.3Å; K33-I105 HydrophobicContact CB-CD1 4.48Å
34	E	92.3	Very high	80.9	Confident	73 Å²	73	87.6 Å²	87.6	34%	0.341	49%	0.488	S	S	.	.	H	α-helix	trans	-67.1	-42.9	175	-169.4	174.5	-176.9	0	0	111.7	L30 A31 L37 L38 I105 I108	L30-E34 PolarHBondContact O-N 2.91Å; A31-E34 PolarHBondContact O-N 3.17Å; E34-L37 WeakPolarHBondContact O-CB 3.46Å; E34-L37 PolarHBondContact O-N 2.81Å; E34-L38 HydrophobicContact CG-CD1 4.48Å; E34-L38 WeakPolarHBondContact O-CG 3.49Å; E34-L38 PolarHBondContact O-N 3.15Å; E34-I105 HydrophobicContact CB-CD1 3.82Å; E34-I105 HydrophobicContact CG-CD1 4.35Å; E34-I108 HydrophobicContact CG-CG2 4.35Å
35	D	92.6	Very high	83.5	Confident	78 Å²	78	84.6 Å²	84.6	42%	0.417	46%	0.463	S	S	.	.	H	α-helix	trans	-62.8	-44.3	174.5	178.1	65	0	0	0	111.9	A31 E32 L37 L38 K39	A31-D35 PolarHBondContact O-N 2.94Å; E32-D35 PolarHBondContact O-N 3.44Å; D35-L37 VanDerWaalsContact C-N 3.32Å; D35-L37 PolarHBondContact O-N 3.17Å; D35-L38 PolarHBondContact O-N 2.95Å; D35-K39 WeakPolarHBondContact O-CG 3.29Å; D35-K39 PolarHBondContact O-N 2.86Å; D35-K39 IonicContact OD1-NZ 3.23Å; D35-K39 VanDerWaalsContact OD2-CE 3.24Å; D35-K39 WeakPolarHBondContact OD2-CE 3.38Å; D35-K39 IonicContact OD2-NZ 2.65Å; D35-K39 PolarHBondContact OD2-NZ 3.09Å
36	A	92.9	Very high	85.8	Confident	47 Å²	47	84.6 Å²	84.6	39%	0.388	46%	0.455	S	S	.	.	H	α-helix	trans	-62.2	-39.1	175.1	0	0	0	0	0	112.3	E32 K40	E32-A36 WeakPolarHBondContact O-CB 3.45Å; E32-A36 PolarHBondContact O-N 2.86Å; A36-K40 PolarHBondContact O-N 3.22Å
37	L	94.5	Very high	87.6	Confident	1 Å²	1	84.4 Å²	84.4	1%	0.005	44%	0.439	C	S	.	.	H	α-helix	trans	-62.6	-49.9	174.4	176.1	60.2	0	0	0	111.1	K33 E34 D35 K39 K40 L41 W97 Y102 I105 I108	K33-L37 VanDerWaalsContact O-CB 3.31Å; K33-L37 WeakPolarHBondContact O-CB 3.21Å; K33-L37 PolarHBondContact O-N 3.3Å; E34-L37 WeakPolarHBondContact O-CB 3.46Å; E34-L37 PolarHBondContact O-N 2.81Å; D35-L37 VanDerWaalsContact C-N 3.32Å; D35-L37 PolarHBondContact O-N 3.17Å; L37-K39 VanDerWaalsContact C-N 3.35Å; L37-K39 PolarHBondContact O-N 2.79Å; L37-K40 PolarHBondContact O-N 3.29Å; L37-L41 HydrophobicContact CD1-CD1 3.79Å; L37-L41 HydrophobicContact CD1-CD2 4.39Å; L37-L41 HydrophobicContact CD1-CG 3.87Å; L37-L41 HydrophobicContact CG-CD1 3.85Å; L37-L41 HydrophobicContact CG-CG 4.31Å; L37-L41 WeakPolarHBondContact O-CG 2.97Å; L37-L41 PolarHBondContact O-N 3.28Å; L37-W97 HydrophobicContact CD1-CB 3.74Å; L37-W97 HydrophobicContact CD1-CD2 4.06Å; L37-W97 HydrophobicContact CD1-CG 3.66Å; L37-W97 HydrophobicContact CD2-CD2 4.02Å; L37-W97 HydrophobicContact CD2-CG 4.15Å; L37-W97 HydrophobicContact CD2-CZ2 4.28Å; L37-Y102 HydrophobicContact CB-CD1 3.62Å; L37-Y102 HydrophobicContact CB-CE1 3.94Å; L37-Y102 HydrophobicContact CB-CG 4.1Å; L37-Y102 HydrophobicContact CD1-CD1 4.12Å; L37-Y102 HydrophobicContact CD1-CD2 3.84Å; L37-Y102 HydrophobicContact CD1-CE1 4.17Å; L37-Y102 HydrophobicContact CD1-CE2 3.91Å; L37-Y102 HydrophobicContact CD1-CG 3.96Å; L37-Y102 HydrophobicContact CD2-CG 4.39Å; L37-Y102 HydrophobicContact CG-CD1 4.35Å; L37-Y102 HydrophobicContact CG-CG 4.37Å; L37-I105 HydrophobicContact CD2-CG2 4.17Å; L37-I108 HydrophobicContact CD2-CG2 3.9Å
38	L	94.1	Very high	89.4	Confident	50 Å²	50	84 Å²	84	26%	0.262	43%	0.433	S	S	.	.	H	α-helix	trans	-57.9	-47	178.3	-76.5	168.8	0	0	0	111.2	E34 D35 K40 L41 F42 I108 V110	E34-L38 HydrophobicContact CG-CD1 4.48Å; E34-L38 WeakPolarHBondContact O-CG 3.49Å; E34-L38 PolarHBondContact O-N 3.15Å; D35-L38 PolarHBondContact O-N 2.95Å; L38-K40 VanDerWaalsContact C-N 3.34Å; L38-K40 PolarHBondContact O-N 2.8Å; L38-L41 PolarHBondContact O-N 2.81Å; L38-F42 HydrophobicContact CD2-CD2 4.25Å; L38-F42 HydrophobicContact CD2-CE2 3.87Å; L38-F42 VanDerWaalsContact O-CD2 3.28Å; L38-F42 WeakPolarHBondContact O-CD2 3.49Å; L38-F42 PolarHBondContact O-N 3.16Å; L38-I108 HydrophobicContact CD2-CD1 3.94Å; L38-V110 HydrophobicContact CD2-CG2 4.07Å
39	K	93.9	Very high	91.2	Very high	126 Å²	126	79.6 Å²	79.6	55%	0.548	42%	0.419	S	S	.	.	H	α-helix	trans	-57.5	-45.6	176.2	-75.4	170	179	164.5	0	111.8	D35 L37 T43	D35-K39 WeakPolarHBondContact O-CG 3.29Å; D35-K39 PolarHBondContact O-N 2.86Å; D35-K39 IonicContact OD1-NZ 3.23Å; D35-K39 VanDerWaalsContact OD2-CE 3.24Å; D35-K39 WeakPolarHBondContact OD2-CE 3.38Å; D35-K39 IonicContact OD2-NZ 2.65Å; D35-K39 PolarHBondContact OD2-NZ 3.09Å; L37-K39 VanDerWaalsContact C-N 3.35Å; L37-K39 PolarHBondContact O-N 2.79Å; K39-T43 WeakPolarHBondContact O-CB 3.42Å; K39-T43 PolarHBondContact O-N 2.89Å; K39-T43 VanDerWaalsContact O-N 3.16Å; K39-T43 PolarHBondContact O-OG1 2.96Å
40	K	94.1	Very high	92.3	Very high	117 Å²	117	78.4 Å²	78.4	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-63.3	-46.3	178.1	-177	-179.1	178.4	-176.4	0	112.1	A36 L37 L38 F42 E101 Y102	A36-K40 PolarHBondContact O-N 3.22Å; L37-K40 PolarHBondContact O-N 3.29Å; L38-K40 VanDerWaalsContact C-N 3.34Å; L38-K40 PolarHBondContact O-N 2.8Å; K40-F42 PolarHBondContact O-N 2.68Å; K40-E101 IonicContact NZ-OE2 3.44Å; K40-E101 PolarHBondContact NZ-OE2 2.98Å; K40-Y102 WeakPolarHBondContact CD-OH 3.29Å; K40-Y102 WeakPolarHBondContact CE-OH 3.3Å; K40-Y102 PolarHBondContact NZ-OH 3.18Å
41	L	94.3	Very high	92.8	Very high	18 Å²	18	74.5 Å²	74.5	9%	0.094	39%	0.388	C	S	.	.	H	α-helix	trans	-65.4	-38.1	-176.9	-70.7	176	0	0	0	112.7	L37 L38 L95 W97 I108	L37-L41 HydrophobicContact CD1-CD1 3.79Å; L37-L41 HydrophobicContact CD1-CD2 4.39Å; L37-L41 HydrophobicContact CD1-CG 3.87Å; L37-L41 HydrophobicContact CG-CD1 3.85Å; L37-L41 HydrophobicContact CG-CG 4.31Å; L37-L41 WeakPolarHBondContact O-CG 2.97Å; L37-L41 PolarHBondContact O-N 3.28Å; L38-L41 PolarHBondContact O-N 2.81Å; L41-L95 HydrophobicContact CB-CD2 4.2Å; L41-W97 HydrophobicContact CD1-CE3 3.97Å; L41-W97 HydrophobicContact CD1-CZ3 4.26Å; L41-W97 HydrophobicContact CD2-CE3 4.42Å; L41-I108 HydrophobicContact CD1-CD1 3.57Å
42	F	95.3	Very high	93.1	Very high	54 Å²	54	72.9 Å²	72.9	24%	0.237	37%	0.369	C	S	.	.	H	α-helix	trans	-92.9	-3.2	-176.2	-71	-74.2	0	0	0	114.3	L38 K40 G44 Y45 L95 V110 N114 I115	L38-F42 HydrophobicContact CD2-CD2 4.25Å; L38-F42 HydrophobicContact CD2-CE2 3.87Å; L38-F42 VanDerWaalsContact O-CD2 3.28Å; L38-F42 WeakPolarHBondContact O-CD2 3.49Å; L38-F42 PolarHBondContact O-N 3.16Å; K40-F42 PolarHBondContact O-N 2.68Å; F42-G44 PolarHBondContact O-N 2.93Å; F42-G44 VanDerWaalsContact O-N 3.1Å; F42-Y45 HydrophobicContact CD1-CD1 4.29Å; F42-Y45 HydrophobicContact CD1-CG 4.37Å; F42-Y45 HydrophobicContact CE1-CD1 4.33Å; F42-Y45 PolarHBondContact O-N 3.35Å; F42-L95 HydrophobicContact CE1-CD2 4.38Å; F42-L95 HydrophobicContact CZ-CD2 4.2Å; F42-V110 HydrophobicContact CE1-CG1 4.19Å; F42-V110 HydrophobicContact CE2-CG1 3.85Å; F42-V110 HydrophobicContact CE2-CG2 4.03Å; F42-V110 HydrophobicContact CZ-CB 4.32Å; F42-V110 HydrophobicContact CZ-CG1 3.38Å; F42-V110 HydrophobicContact CZ-CG2 4.04Å; F42-N114 HydrophobicContact CE1-CB 4.32Å; F42-I115 HydrophobicContact CE1-CG2 3.83Å; F42-I115 HydrophobicContact CZ-CG2 3.91Å
43	T	94.3	Very high	93.1	Very high	115 Å²	115	72.4 Å²	72.4	71%	0.706	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	108.1	173.5	-63.9	0	0	0	0	109.9	K39 Y45	K39-T43 WeakPolarHBondContact O-CB 3.42Å; K39-T43 PolarHBondContact O-N 2.89Å; K39-T43 VanDerWaalsContact O-N 3.16Å; K39-T43 PolarHBondContact O-OG1 2.96Å; T43-Y45 VanDerWaalsContact C-N 3.32Å
44	G	90.5	Very high	93.2	Very high	81 Å²	81	76.9 Å²	76.9	84%	0.835	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	11.4	-179.6	0	0	0	0	0	114.9	F42	F42-G44 PolarHBondContact O-N 2.93Å; F42-G44 VanDerWaalsContact O-N 3.1Å
45	Y	95.4	Very high	92.8	Very high	34 Å²	34	77.5 Å²	77.5	13%	0.133	40%	0.399	C	S	.	.			trans	-74	127.9	174.3	-174.7	-89.7	0	0	0	110.6	F42 T43 R47 D92 K94 L95 W116	F42-Y45 HydrophobicContact CD1-CD1 4.29Å; F42-Y45 HydrophobicContact CD1-CG 4.37Å; F42-Y45 HydrophobicContact CE1-CD1 4.33Å; F42-Y45 PolarHBondContact O-N 3.35Å; T43-Y45 VanDerWaalsContact C-N 3.32Å; Y45-R47 HydrophobicContact CE1-CB 4.23Å; Y45-D92 WeakPolarHBondContact CE2-OD2 3.31Å; Y45-D92 PolarHBondContact OH-OD2 3.19Å; Y45-K94 HydrophobicContact CD2-CB 4.13Å; Y45-K94 HydrophobicContact CD2-CD 4.22Å; Y45-K94 HydrophobicContact CE2-CB 4.03Å; Y45-K94 HydrophobicContact CE2-CD 4.18Å; Y45-L95 HydrophobicContact CD2-CD2 4.02Å; Y45-L95 HydrophobicContact CD2-CG 4.38Å; Y45-L95 HydrophobicContact CE2-CD1 4.07Å; Y45-L95 HydrophobicContact CE2-CD2 3.94Å; Y45-L95 HydrophobicContact CE2-CG 3.83Å; Y45-W116 PolarHBondContact OH-N 2.92Å
46	Q	93.9	Very high	92.7	Very high	93 Å²	93	81.1 Å²	81.1	44%	0.435	42%	0.419	S	S	.	.			trans	-111.1	111.4	177.6	-178.6	56.4	-84	0	0	110.5	W48 V49	Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 2.82Å; Q46-V49 HydrophobicContact CB-CG2 4.24Å; Q46-V49 HydrophobicContact CG-CB 4.39Å; Q46-V49 HydrophobicContact CG-CG2 3.68Å; Q46-V49 PolarHBondContact O-N 2.9Å
47	R	92.5	Very high	92.7	Very high	92 Å²	92	81.3 Å²	81.3	35%	0.347	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.3	-175.2	73.4	173.7	-173.2	-172.9	0.6	114.6	Y45 V49 E113 W116	Y45-R47 HydrophobicContact CE1-CB 4.23Å; R47-V49 VanDerWaalsContact C-N 3.3Å; R47-E113 WeakPolarHBondContact CD-O 3.18Å; R47-E113 PolarHBondContact NH1-O 3.45Å; R47-W116 VanDerWaalsContact O-CA 3.28Å; R47-W116 WeakPolarHBondContact O-CA 3.45Å; R47-W116 VanDerWaalsContact O-CB 3.3Å; R47-W116 WeakPolarHBondContact O-CB 3.24Å
48	W	91.7	Very high	92.6	Very high	177 Å²	177	84.4 Å²	84.4	67%	0.67	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.8	-178.2	-51.5	118.1	0	0	0	113.4	Q46	Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 2.82Å
49	V	92.3	Very high	92.7	Very high	76 Å²	76	82.4 Å²	82.4	46%	0.461	42%	0.422	S	S	.	.	S	Bend	trans	-99.3	124.2	-176.1	177.7	0	0	0	0	109.2	Q46 R47	Q46-V49 HydrophobicContact CB-CG2 4.24Å; Q46-V49 HydrophobicContact CG-CB 4.39Å; Q46-V49 HydrophobicContact CG-CG2 3.68Å; Q46-V49 PolarHBondContact O-N 2.9Å; R47-V49 VanDerWaalsContact C-N 3.3Å
50	R	93.6	Very high	92.8	Very high	41 Å²	41	84.8 Å²	84.8	16%	0.155	43%	0.428	C	S	.	.			trans	-54.8	139.1	176.5	-67.2	-169.5	-73.1	132.5	3.8	111.4	I52 V59 W116 Y181 M185	R50-I52 VanDerWaalsContact C-N 3.29Å; R50-I52 PolarHBondContact O-N 2.79Å; R50-V59 HydrophobicContact CB-CG2 4.48Å; R50-W116 HydrophobicContact CB-CZ2 4.44Å; R50-W116 HydrophobicContact CG-CZ2 3.78Å; R50-Y181 VanDerWaalsContact CD-CE1 3.4Å; R50-Y181 HydrophobicContact CG-CE1 3.84Å; R50-M185 VanDerWaalsContact CZ-CG 3.48Å; R50-M185 VanDerWaalsContact NH1-CB 3.25Å; R50-M185 PolarHBondContact NH1-O 2.82Å
51	P	94.1	Very high	92.9	Very high	11 Å²	11	79.2 Å²	79.2	7%	0.071	40%	0.404	C	S	.	.			trans	-83.2	68.2	-175.2	34.7	-38	0	0	0	112.4	D92 Y93 W116	P51-D92 HydrophobicContact CB-CB 3.9Å; P51-D92 VanDerWaalsContact CB-OD1 3.24Å; P51-D92 WeakPolarHBondContact CB-OD1 3.18Å; P51-D92 HydrophobicContact CG-CB 4.29Å; P51-Y93 HydrophobicContact CB-CD1 4.46Å; P51-W116 VanDerWaalsContact CD-CD2 3.44Å; P51-W116 VanDerWaalsContact CD-CE3 3.48Å; P51-W116 HydrophobicContact CG-CD2 4.25Å; P51-W116 HydrophobicContact CG-CE3 3.82Å; P51-W116 HydrophobicContact CG-CZ3 4.24Å
52	I	92.9	Very high	93.1	Very high	33 Å²	33	84.2 Å²	84.2	17%	0.169	42%	0.421	C	S	.	.			trans	-113.1	146	179.6	59.7	178.3	0	0	0	111.8	R50 R54 D57 V59 Y93	R50-I52 VanDerWaalsContact C-N 3.29Å; R50-I52 PolarHBondContact O-N 2.79Å; I52-R54 WeakPolarHBondContact CD1-O 3.44Å; I52-D57 HydrophobicContact CB-CB 4.25Å; I52-D57 HydrophobicContact CG2-CB 4.3Å; I52-D57 WeakPolarHBondContact CG2-O 3.4Å; I52-V59 HydrophobicContact CG2-CG2 3.56Å; I52-Y93 WeakPolarHBondContact O-CE1 3.34Å
53	Q	89.4	Confident	93.1	Very high	128 Å²	128	81.7 Å²	81.7	60%	0.598	41%	0.41	S	S	*	.	S	Bend	trans	-83.7	-42.6	175.6	-69.4	-176.8	12	0	0	111.5	Y93	Q53-Y93 HydrophobicContact CG-CD1 4.15Å; Q53-Y93 HydrophobicContact CG-CD2 4.1Å; Q53-Y93 HydrophobicContact CG-CE2 4.44Å; Q53-Y93 HydrophobicContact CG-CG 3.94Å
54	R	91.8	Very high	93.2	Very high	170 Å²	170	76.6 Å²	76.6	64%	0.642	38%	0.381	S	S	*	.	S	Bend	trans	-114.3	150	174.4	-49.4	-173.7	-167.3	99.4	-2.3	110	I52 N56 D57	I52-R54 WeakPolarHBondContact CD1-O 3.44Å; R54-N56 PolarHBondContact O-N 2.83Å; R54-D57 WeakPolarHBondContact CB-OD2 3.19Å; R54-D57 PolarHBondContact N-OD2 3.44Å; R54-D57 IonicContact NH1-OD1 3.74Å; R54-D57 WeakPolarHBondContact O-CB 3.45Å; R54-D57 PolarHBondContact O-N 2.85Å
55	A	85.8	Confident	93.4	Very high	85 Å²	85	73.1 Å²	73.1	70%	0.702	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.4	-179.3	0	0	0	0	0	113.8	D57	A55-D57 VanDerWaalsContact C-N 3.35Å
56	N	88.8	Confident	93.4	Very high	154 Å²	154	73.4 Å²	73.4	82%	0.824	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-1.2	180	-66.1	-2.8	0	0	0	113.6	R54	R54-N56 PolarHBondContact O-N 2.83Å
57	D	93.3	Very high	93.4	Very high	52 Å²	52	69 Å²	69	28%	0.278	32%	0.324	S	S	.	.			trans	-79.4	137.1	-179.6	-62.9	-23.9	0	0	0	110.5	I52 R54 A55	I52-D57 HydrophobicContact CB-CB 4.25Å; I52-D57 HydrophobicContact CG2-CB 4.3Å; I52-D57 WeakPolarHBondContact CG2-O 3.4Å; R54-D57 WeakPolarHBondContact CB-OD2 3.19Å; R54-D57 PolarHBondContact N-OD2 3.44Å; R54-D57 IonicContact NH1-OD1 3.74Å; R54-D57 WeakPolarHBondContact O-CB 3.45Å; R54-D57 PolarHBondContact O-N 2.85Å; A55-D57 VanDerWaalsContact C-N 3.35Å
58	T	93.3	Very high	93.5	Very high	65 Å²	65	66.4 Å²	66.4	40%	0.399	32%	0.32	S	S	.	.			trans	-90.4	133.6	175.2	57.7	0	0	0	0	110.2	R60 N184	T58-R60 PolarHBondContact O-N 3.48Å; T58-N184 WeakPolarHBondContact CG2-O 3.27Å
59	V	95.5	Very high	93.6	Very high	9 Å²	9	60.9 Å²	60.9	6%	0.055	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	114.8	169.6	-176.6	0	0	0	0	108.5	R50 I52 V61 W90 W116 M185 V186 D187	R50-V59 HydrophobicContact CB-CG2 4.48Å; I52-V59 HydrophobicContact CG2-CG2 3.56Å; V59-V61 HydrophobicContact CG1-CG2 4.15Å; V59-W90 HydrophobicContact CG1-CB 4.31Å; V59-W116 HydrophobicContact CB-CH2 4.32Å; V59-W116 HydrophobicContact CG1-CH2 3.91Å; V59-W116 HydrophobicContact CG1-CZ3 3.92Å; V59-W116 HydrophobicContact CG2-CH2 4.43Å; V59-M185 PolarHBondContact N-O 2.74Å; V59-V186 WeakPolarHBondContact O-CA 3.31Å; V59-D187 PolarHBondContact O-N 3.43Å
60	R	95.6	Very high	93.7	Very high	176 Å²	176	57.4 Å²	57.4	66%	0.664	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	114.3	174.2	-72.2	-175.3	-73.6	174.4	-4.1	109.5	T58 D187	T58-R60 PolarHBondContact O-N 3.48Å; R60-D187 WeakPolarHBondContact CA-O 3.3Å; R60-D187 HydrophobicContact CG-CB 4.44Å
61	V	97.1	Very high	93.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.9	175.6	-176	0	0	0	0	108	V59 Q88 E89 W90 P118 I120 V186 D187 L188 V189	V59-V61 HydrophobicContact CG1-CG2 4.15Å; V61-Q88 HydrophobicContact CG1-CB 4.44Å; V61-E89 CarbonylContact C-O 3.52Å; V61-E89 WeakPolarHBondContact CA-O 3.25Å; V61-W90 HydrophobicContact CG2-CB 4.22Å; V61-P118 HydrophobicContact CG1-CG 4.21Å; V61-P118 HydrophobicContact CG2-CB 4.11Å; V61-P118 HydrophobicContact CG2-CG 4.14Å; V61-I120 HydrophobicContact CG1-CD1 3.98Å; V61-V186 HydrophobicContact CG2-CG1 3.99Å; V61-D187 PolarHBondContact N-O 2.99Å; V61-L188 HydrophobicContact CB-CD2 4.16Å; V61-L188 HydrophobicContact CG1-CD2 4.47Å; V61-V189 PolarHBondContact O-N 2.9Å
62	R	97.4	Very high	93.5	Very high	123 Å²	123	61 Å²	61	46%	0.464	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	128.3	169.5	-55.3	-176.8	72.5	175.3	1.8	108.1	Q88 E89 V189 M191	R62-Q88 WeakPolarHBondContact O-CA 2.89Å; R62-E89 HydrophobicContact CB-CB 4.18Å; R62-E89 PolarHBondContact N-O 3.25Å; R62-E89 PolarHBondContact O-N 3.04Å; R62-V189 CarbonylContact C-O 3.57Å; R62-V189 VanDerWaalsContact CA-O 3.25Å; R62-V189 WeakPolarHBondContact CA-O 3.45Å; R62-V189 HydrophobicContact CG-CB 4.5Å; R62-M191 HydrophobicContact CB-CE 3.6Å; R62-M191 HydrophobicContact CB-CG 3.82Å; R62-M191 WeakPolarHBondContact O-CE 3.16Å
63	F	96.6	Very high	93.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.5	-174	-173.6	-108.5	0	0	0	110	L86 T87 Q88 I120 F176 L188 V189 M191 I228 Y230	F63-L86 HydrophobicContact CE2-CB 4.34Å; F63-L86 HydrophobicContact CE2-CD1 4.45Å; F63-L86 HydrophobicContact CE2-CD2 4.27Å; F63-L86 HydrophobicContact CZ-CD2 3.87Å; F63-T87 CarbonylContact C-O 3.44Å; F63-T87 WeakPolarHBondContact CA-O 3.33Å; F63-Q88 HydrophobicContact CD2-CG 4.07Å; F63-Q88 HydrophobicContact CE2-CG 4.28Å; F63-I120 HydrophobicContact CD2-CD1 3.89Å; F63-I120 HydrophobicContact CD2-CG2 4.43Å; F63-I120 HydrophobicContact CE2-CD1 4.24Å; F63-I120 HydrophobicContact CE2-CG2 3.87Å; F63-I120 HydrophobicContact CZ-CG2 4.14Å; F63-F176 HydrophobicContact CE1-CB 3.63Å; F63-F176 HydrophobicContact CE1-CD1 4.41Å; F63-F176 AromaticContact CE1-CD2 3.83Å; F63-F176 HydrophobicContact CE1-CD2 3.83Å; F63-F176 AromaticContact CE1-CG 3.7Å; F63-F176 HydrophobicContact CE1-CG 3.7Å; F63-F176 HydrophobicContact CZ-CB 3.77Å; F63-F176 AromaticContact CZ-CD1 3.84Å; F63-F176 HydrophobicContact CZ-CD1 3.84Å; F63-F176 HydrophobicContact CZ-CD2 4.03Å; F63-F176 HydrophobicContact CZ-CE1 4.42Å; F63-F176 AromaticContact CZ-CG 3.6Å; F63-F176 HydrophobicContact CZ-CG 3.6Å; F63-L188 HydrophobicContact CB-CD2 4.47Å; F63-V189 PolarHBondContact N-O 2.95Å; F63-M191 PolarHBondContact O-N 3.02Å; F63-I228 HydrophobicContact CB-CD1 3.67Å; F63-I228 HydrophobicContact CD1-CB 4.24Å; F63-I228 HydrophobicContact CD1-CD1 3.71Å; F63-I228 HydrophobicContact CD1-CG2 4.15Å; F63-I228 HydrophobicContact CE1-CG2 4.48Å; F63-I228 HydrophobicContact CG-CD1 4.1Å; F63-Y230 HydrophobicContact CD1-CE2 4.02Å; F63-Y230 AromaticContact CE1-CE2 3.71Å; F63-Y230 HydrophobicContact CE1-CE2 3.71Å
64	G	95.8	Very high	93.5	Very high	9 Å²	9	55.4 Å²	55.4	9%	0.093	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.9	175.6	0	0	0	0	0	110.2	T87	G64-T87 PolarHBondContact N-O 2.77Å; G64-T87 PolarHBondContact O-N 3.44Å
65	L	95.3	Very high	93.3	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.8	173.3	-174.4	151.2	0	0	0	108.5	V84 L86 F176 V195 D196 Y230 F232	L65-V84 HydrophobicContact CD1-CG1 4.41Å; L65-V84 HydrophobicContact CD2-CB 4.37Å; L65-V84 HydrophobicContact CD2-CG1 4.04Å; L65-V84 HydrophobicContact CG-CB 4.25Å; L65-V84 HydrophobicContact CG-CG1 4.34Å; L65-L86 HydrophobicContact CD1-CD2 4.13Å; L65-L86 HydrophobicContact CG-CD2 4.29Å; L65-F176 HydrophobicContact CD1-CD2 4.47Å; L65-F176 HydrophobicContact CD1-CE2 3.53Å; L65-F176 HydrophobicContact CD1-CZ 3.95Å; L65-V195 HydrophobicContact CD2-CG1 3.57Å; L65-V195 HydrophobicContact CD2-CG2 4.29Å; L65-D196 PolarHBondContact O-N 3.45Å; L65-Y230 HydrophobicContact CB-CD1 4.48Å; L65-Y230 HydrophobicContact CB-CD2 3.87Å; L65-Y230 HydrophobicContact CB-CE1 4.09Å; L65-Y230 HydrophobicContact CB-CE2 3.42Å; L65-Y230 VanDerWaalsContact CB-CE2 3.42Å; L65-Y230 HydrophobicContact CB-CG 4.37Å; L65-Y230 HydrophobicContact CD1-CD2 3.74Å; L65-Y230 HydrophobicContact CD1-CE2 4.08Å; L65-Y230 HydrophobicContact CD1-CG 4.28Å; L65-Y230 HydrophobicContact CG-CD2 4.39Å; L65-Y230 HydrophobicContact CG-CE2 4.38Å; L65-Y230 PolarHBondContact N-OH 2.88Å; L65-F232 HydrophobicContact CD2-CZ 4.04Å
66	K	95	Very high	93.2	Very high	40 Å²	40	49.6 Å²	49.6	17%	0.174	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.9	171.3	175.5	173.8	-173.9	167.2	0	108.7	V84 W85 D196 D199	K66-V84 CarbonylContact O-C 3.52Å; K66-V84 VanDerWaalsContact O-CA 3.29Å; K66-V84 WeakPolarHBondContact O-CA 3.4Å; K66-W85 HydrophobicContact CB-CB 4.24Å; K66-W85 PolarHBondContact N-O 3.17Å; K66-W85 PolarHBondContact O-N 2.71Å; K66-D196 HydrophobicContact CB-CB 4.06Å; K66-D196 HydrophobicContact CD-CB 4.34Å; K66-D196 WeakPolarHBondContact CD-OD2 3.48Å; K66-D196 WeakPolarHBondContact CE-OD2 3.38Å; K66-D196 HydrophobicContact CG-CB 3.96Å; K66-D196 IonicContact NZ-OD2 2.78Å; K66-D196 PolarHBondContact NZ-OD2 3.38Å; K66-D199 WeakPolarHBondContact CE-OD2 3.4Å; K66-D199 VanDerWaalsContact NZ-CG 3.3Å; K66-D199 IonicContact NZ-OD1 2.61Å; K66-D199 IonicContact NZ-OD2 3.49Å; K66-D199 PolarHBondContact NZ-OD2 3.01Å
67	I	94.9	Very high	93.2	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.9	178.9	-171.7	167.7	0	0	0	109.7	T82 V84 V195 D196 R197 F200 I208 F232	I67-T82 HydrophobicContact CD1-CG2 4.42Å; I67-V84 HydrophobicContact CG1-CG1 4.45Å; I67-V195 HydrophobicContact CB-CG1 4.2Å; I67-V195 HydrophobicContact CG2-CG1 3.9Å; I67-D196 PolarHBondContact N-O 3.14Å; I67-D196 VanDerWaalsContact N-O 3.1Å; I67-R197 HydrophobicContact CG2-CG 3.93Å; I67-F200 HydrophobicContact CD1-CD2 4.36Å; I67-F200 HydrophobicContact CD1-CE2 4.04Å; I67-F200 HydrophobicContact CG1-CD2 4.1Å; I67-F200 HydrophobicContact CG1-CE2 4.22Å; I67-F200 HydrophobicContact CG2-CD2 3.96Å; I67-I208 HydrophobicContact CD1-CD1 3.79Å; I67-F232 HydrophobicContact CD1-CE1 4.1Å
68	S	93.3	Very high	93	Very high	37 Å²	37	48 Å²	48	26%	0.259	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-45.7	174	-169.3	0	0	0	0	110.8	N83 F200 F201	S68-N83 WeakPolarHBondContact CB-O 3.25Å; S68-N83 PolarHBondContact N-O 3.49Å; S68-F200 WeakPolarHBondContact O-CA 3.24Å; S68-F201 PolarHBondContact O-N 2.83Å
69	Q	93.8	Very high	92.9	Very high	62 Å²	62	46.5 Å²	46.5	29%	0.29	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	139	-178.4	-170.5	-178.2	2.8	0	0	110.5	N83	Q69-N83 HydrophobicContact CB-CB 4.3Å; Q69-N83 PolarHBondContact N-O 3Å; Q69-N83 PolarHBondContact O-N 3.29Å
70	L	94.2	Very high	92.9	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	105.2	160.4	179	63.2	0	0	0	106.9	V73 M80 T82 F200 N203 W206 L234	L70-V73 HydrophobicContact CD1-CG2 3.92Å; L70-V73 HydrophobicContact CD2-CG2 4.09Å; L70-V73 HydrophobicContact CG-CG2 4.22Å; L70-M80 HydrophobicContact CD1-CG 3.92Å; L70-M80 HydrophobicContact CD1-SD 4.27Å; L70-T82 HydrophobicContact CD1-CG2 3.74Å; L70-F200 HydrophobicContact CB-CE2 4.22Å; L70-F200 HydrophobicContact CB-CZ 4.36Å; L70-N203 WeakPolarHBondContact O-CB 3.36Å; L70-N203 PolarHBondContact O-ND2 3.41Å; L70-N203 VanDerWaalsContact O-ND2 3.13Å; L70-W206 HydrophobicContact CD2-CB 3.66Å; L70-W206 HydrophobicContact CD2-CG 4.21Å; L70-L234 HydrophobicContact CD2-CD1 4.19Å; L70-L234 HydrophobicContact CD2-CD2 4.02Å
71	V	92.9	Very high	92.8	Very high	59 Å²	59	38.6 Å²	38.6	36%	0.358	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-54.2	-172	178.9	0	0	0	0	109.7	T81 N83	V71-T81 HydrophobicContact CB-CG2 3.89Å; V71-T81 HydrophobicContact CG1-CG2 4.26Å; V71-T81 HydrophobicContact CG2-CG2 4.28Å; V71-T81 PolarHBondContact N-O 2.89Å; V71-N83 HydrophobicContact CG2-CB 4.43Å; V71-N83 VanDerWaalsContact CG2-ND2 3.32Å; V71-N83 WeakPolarHBondContact CG2-ND2 3.34Å
72	D	91.4	Very high	92.6	Very high	70 Å²	70	38.6 Å²	38.6	37%	0.374	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	151.4	-174.1	-169.9	22.8	0	0	0	111	T81	D72-T81 PolarHBondContact N-O 3.4Å; D72-T81 PolarHBondContact O-N 3.33Å
73	V	92	Very high	92.4	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	93.7	174.6	-177.4	0	0	0	0	106.6	L70 E75 L79 M80 M160 W206 L234	L70-V73 HydrophobicContact CD1-CG2 3.92Å; L70-V73 HydrophobicContact CD2-CG2 4.09Å; L70-V73 HydrophobicContact CG-CG2 4.22Å; V73-E75 PolarHBondContact O-N 2.87Å; V73-L79 CarbonylContact C-O 3.49Å; V73-M80 HydrophobicContact CG2-CG 4.39Å; V73-M160 HydrophobicContact CG1-CE 3.37Å; V73-M160 HydrophobicContact CG1-SD 4.13Å; V73-W206 HydrophobicContact CB-CZ2 3.88Å; V73-W206 HydrophobicContact CG1-CH2 4.35Å; V73-W206 HydrophobicContact CG1-CZ2 3.83Å; V73-W206 HydrophobicContact CG2-CD2 4.31Å; V73-W206 HydrophobicContact CG2-CG 4.34Å; V73-W206 HydrophobicContact CG2-CZ2 4.45Å; V73-L234 HydrophobicContact CG2-CD1 4Å
74	D	90.4	Very high	92.3	Very high	41 Å²	41	35.1 Å²	35.1	22%	0.219	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	101.4	-176.8	-175.6	-25.2	0	0	0	109.5	K76 N77 Q78 L79	D74-K76 VanDerWaalsContact C-N 3.33Å; D74-K76 WeakPolarHBondContact OD1-CB 3.4Å; D74-K76 PolarHBondContact OD1-N 3.19Å; D74-K76 VanDerWaalsContact OD1-N 3.13Å; D74-N77 PolarHBondContact OD1-N 3.44Å; D74-N77 WeakPolarHBondContact OD2-CB 3.17Å; D74-N77 PolarHBondContact OD2-ND2 3.29Å; D74-Q78 WeakPolarHBondContact O-CA 3.48Å; D74-Q78 PolarHBondContact O-N 2.93Å; D74-L79 HydrophobicContact CB-CB 4.32Å; D74-L79 PolarHBondContact N-O 3.31Å; D74-L79 PolarHBondContact O-N 2.82Å
75	E	86.8	Confident	92.3	Very high	23 Å²	23	39.6 Å²	39.6	11%	0.107	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-33	-177.7	-52.1	86.8	163.6	0	0	111.9	V73 Q78 M160 R236 P292	V73-E75 PolarHBondContact O-N 2.87Å; E75-Q78 PolarHBondContact O-N 3.05Å; E75-M160 HydrophobicContact CB-CG 4.46Å; E75-R236 IonicContact OE1-CZ 2.85Å; E75-R236 IonicContact OE1-NH1 3.76Å; E75-R236 PolarHBondContact OE1-NH1 2.81Å; E75-R236 IonicContact OE1-NH2 3.83Å; E75-R236 PolarHBondContact OE1-NH2 3.11Å; E75-P292 HydrophobicContact CB-CG 4.4Å; E75-P292 WeakPolarHBondContact O-CB 3.21Å; E75-P292 WeakPolarHBondContact O-CG 3.32Å
76	K	84.4	Confident	92.2	Very high	110 Å²	110	39.3 Å²	39.3	48%	0.478	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-47.4	-179.3	-176.2	173.4	-173	160.7	0	111.2	D74 E289	D74-K76 VanDerWaalsContact C-N 3.33Å; D74-K76 WeakPolarHBondContact OD1-CB 3.4Å; D74-K76 PolarHBondContact OD1-N 3.19Å; D74-K76 VanDerWaalsContact OD1-N 3.13Å; K76-E289 PolarHBondContact NZ-O 3.43Å; K76-E289 VanDerWaalsContact NZ-O 3.09Å
77	N	87.5	Confident	92.2	Very high	101 Å²	101	39 Å²	39	54%	0.54	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-3.7	179.3	-64.3	-50.5	0	0	0	113.3	D74 L79	D74-N77 PolarHBondContact OD1-N 3.44Å; D74-N77 WeakPolarHBondContact OD2-CB 3.17Å; D74-N77 PolarHBondContact OD2-ND2 3.29Å; N77-L79 HydrophobicContact CB-CD1 3.96Å; N77-L79 HydrophobicContact CB-CG 3.99Å; N77-L79 WeakPolarHBondContact O-CG 3.35Å
78	Q	89.9	Confident	92.2	Very high	71 Å²	71	39.1 Å²	39.1	33%	0.332	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	44.3	-178.1	-60.6	-177.5	20.8	0	0	112.9	D74 E75 C158	D74-Q78 WeakPolarHBondContact O-CA 3.48Å; D74-Q78 PolarHBondContact O-N 2.93Å; E75-Q78 PolarHBondContact O-N 3.05Å; Q78-C158 CarbonylContact C-O 3.5Å; Q78-C158 WeakPolarHBondContact CB-O 3.35Å; Q78-C158 PolarHBondContact O-N 3.46Å; Q78-C158 VanDerWaalsContact O-O 3.12Å
79	L	92.1	Very high	92.4	Very high	35 Å²	35	40.2 Å²	40.2	18%	0.183	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.4	-175.4	-58.4	-179.6	0	0	0	111.5	V73 D74 N77 A126	V73-L79 CarbonylContact C-O 3.49Å; D74-L79 HydrophobicContact CB-CB 4.32Å; D74-L79 PolarHBondContact N-O 3.31Å; D74-L79 PolarHBondContact O-N 2.82Å; N77-L79 HydrophobicContact CB-CD1 3.96Å; N77-L79 HydrophobicContact CB-CG 3.99Å; N77-L79 WeakPolarHBondContact O-CG 3.35Å; L79-A126 HydrophobicContact CD1-CB 4.42Å; L79-A126 HydrophobicContact CD2-CB 3.16Å; L79-A126 HydrophobicContact CG-CB 4.41Å
80	M	94	Very high	92.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.9	168.2	-179.9	-172.6	74.3	0	0	108.8	L70 V73 T82 K155 S156 C158 C172 M174 F232 L234	L70-M80 HydrophobicContact CD1-CG 3.92Å; L70-M80 HydrophobicContact CD1-SD 4.27Å; V73-M80 HydrophobicContact CG2-CG 4.39Å; M80-T82 HydrophobicContact CE-CG2 3.74Å; M80-T82 HydrophobicContact CG-CG2 4.02Å; M80-T82 HydrophobicContact SD-CG2 4.05Å; M80-K155 CarbonylContact O-C 3.37Å; M80-K155 WeakPolarHBondContact O-CA 3.35Å; M80-S156 VanDerWaalsContact CE-OG 3.28Å; M80-S156 WeakPolarHBondContact CE-OG 3.48Å; M80-S156 PolarHBondContact N-O 2.88Å; M80-S156 PolarHBondContact O-N 3.36Å; M80-S156 PolarHBondContact O-OG 2.82Å; M80-C158 HydrophobicContact CB-CB 4.5Å; M80-C172 HydrophobicContact CE-CB 4.21Å; M80-C172 HydrophobicContact SD-CB 3.65Å; M80-M174 HydrophobicContact CE-CG 3.74Å; M80-M174 HydrophobicContact CE-SD 3.76Å; M80-F232 HydrophobicContact CE-CD2 4.13Å; M80-F232 HydrophobicContact CE-CE2 4.48Å; M80-L234 HydrophobicContact SD-CD1 4.12Å
81	T	93.4	Very high	92.7	Very high	18 Å²	18	42.1 Å²	42.1	11%	0.11	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.4	178.4	-54.3	0	0	0	0	110.5	V71 D72 Y154 K155	V71-T81 HydrophobicContact CB-CG2 3.89Å; V71-T81 HydrophobicContact CG1-CG2 4.26Å; V71-T81 HydrophobicContact CG2-CG2 4.28Å; V71-T81 PolarHBondContact N-O 2.89Å; D72-T81 PolarHBondContact N-O 3.4Å; D72-T81 PolarHBondContact O-N 3.33Å; T81-Y154 WeakPolarHBondContact CA-O 3.11Å; T81-K155 HydrophobicContact CG2-CG 4.07Å
82	T	93.9	Very high	92.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.3	-178	55.4	0	0	0	0	111.8	I67 L70 M80 S153 Y154	I67-T82 HydrophobicContact CD1-CG2 4.42Å; L70-T82 HydrophobicContact CD1-CG2 3.74Å; M80-T82 HydrophobicContact CE-CG2 3.74Å; M80-T82 HydrophobicContact CG-CG2 4.02Å; M80-T82 HydrophobicContact SD-CG2 4.05Å; T82-S153 WeakPolarHBondContact O-CA 3.46Å; T82-Y154 PolarHBondContact N-O 2.88Å; T82-Y154 PolarHBondContact O-N 2.56Å
83	N	93.6	Very high	93	Very high	48 Å²	48	39.9 Å²	39.9	26%	0.257	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.4	167.7	-68.8	-21	0	0	0	108.9	S68 Q69 V71 S153	S68-N83 WeakPolarHBondContact CB-O 3.25Å; S68-N83 PolarHBondContact N-O 3.49Å; Q69-N83 HydrophobicContact CB-CB 4.3Å; Q69-N83 PolarHBondContact N-O 3Å; Q69-N83 PolarHBondContact O-N 3.29Å; V71-N83 HydrophobicContact CG2-CB 4.43Å; V71-N83 VanDerWaalsContact CG2-ND2 3.32Å; V71-N83 WeakPolarHBondContact CG2-ND2 3.34Å; N83-S153 VanDerWaalsContact OD1-CB 3.3Å; N83-S153 WeakPolarHBondContact OD1-CB 3.4Å; N83-S153 PolarHBondContact OD1-OG 2.76Å
84	V	94.1	Very high	93.1	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.4	-173.8	-56.5	0	0	0	0	111.3	L65 K66 I67 L86 A152 Y154	L65-V84 HydrophobicContact CD1-CG1 4.41Å; L65-V84 HydrophobicContact CD2-CB 4.37Å; L65-V84 HydrophobicContact CD2-CG1 4.04Å; L65-V84 HydrophobicContact CG-CB 4.25Å; L65-V84 HydrophobicContact CG-CG1 4.34Å; K66-V84 CarbonylContact O-C 3.52Å; K66-V84 VanDerWaalsContact O-CA 3.29Å; K66-V84 WeakPolarHBondContact O-CA 3.4Å; I67-V84 HydrophobicContact CG1-CG1 4.45Å; V84-L86 HydrophobicContact CG2-CD2 3.96Å; V84-L86 HydrophobicContact CG2-CG 4.37Å; V84-A152 HydrophobicContact CG2-CB 4.49Å; V84-A152 PolarHBondContact N-O 3.08Å; V84-A152 PolarHBondContact O-N 3.17Å; V84-Y154 HydrophobicContact CG2-CD2 3.55Å; V84-Y154 HydrophobicContact CG2-CE2 3.77Å
85	W	94.4	Very high	93.3	Very high	103 Å²	103	41.4 Å²	41.4	39%	0.39	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.8	167.4	-57	85.3	0	0	0	108	K66 P151	K66-W85 HydrophobicContact CB-CB 4.24Å; K66-W85 PolarHBondContact N-O 3.17Å; K66-W85 PolarHBondContact O-N 2.71Å; W85-P151 HydrophobicContact CD2-CB 4.19Å; W85-P151 HydrophobicContact CE3-CB 3.76Å; W85-P151 HydrophobicContact CE3-CG 4.31Å; W85-P151 HydrophobicContact CH2-CB 3.94Å; W85-P151 HydrophobicContact CH2-CG 4.23Å; W85-P151 HydrophobicContact CZ2-CB 4.33Å; W85-P151 HydrophobicContact CZ3-CB 3.64Å; W85-P151 HydrophobicContact CZ3-CG 3.81Å
86	L	93.8	Very high	93.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112.3	178.4	-62.3	-174.8	0	0	0	109.1	F63 L65 V84 T149 P150 Y154 F176	F63-L86 HydrophobicContact CE2-CB 4.34Å; F63-L86 HydrophobicContact CE2-CD1 4.45Å; F63-L86 HydrophobicContact CE2-CD2 4.27Å; F63-L86 HydrophobicContact CZ-CD2 3.87Å; L65-L86 HydrophobicContact CD1-CD2 4.13Å; L65-L86 HydrophobicContact CG-CD2 4.29Å; V84-L86 HydrophobicContact CG2-CD2 3.96Å; V84-L86 HydrophobicContact CG2-CG 4.37Å; L86-T149 VanDerWaalsContact O-CA 3.27Å; L86-T149 WeakPolarHBondContact O-CA 3.41Å; L86-P150 HydrophobicContact CB-CG 4.38Å; L86-P150 PolarHBondContact N-O 3.1Å; L86-P150 VanDerWaalsContact N-O 3.11Å; L86-P150 VanDerWaalsContact O-CD 3.27Å; L86-P150 WeakPolarHBondContact O-CD 3.45Å; L86-Y154 HydrophobicContact CD1-CE2 3.83Å; L86-Y154 WeakPolarHBondContact CD1-OH 3.39Å; L86-Y154 HydrophobicContact CD2-CE2 4.31Å; L86-Y154 HydrophobicContact CG-CE2 4.24Å; L86-F176 HydrophobicContact CD1-CE1 4.25Å; L86-F176 HydrophobicContact CD2-CE1 4.19Å; L86-F176 HydrophobicContact CD2-CZ 4.11Å
87	T	95.3	Very high	94.2	Very high	33 Å²	33	42 Å²	42	20%	0.202	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.4	175.2	-53.4	0	0	0	0	109.3	F63 G64 T147 T149 M191	F63-T87 CarbonylContact C-O 3.44Å; F63-T87 WeakPolarHBondContact CA-O 3.33Å; G64-T87 PolarHBondContact N-O 2.77Å; G64-T87 PolarHBondContact O-N 3.44Å; T87-T147 HydrophobicContact CG2-CG2 4.46Å; T87-T149 HydrophobicContact CG2-CG2 3.85Å; T87-M191 HydrophobicContact CG2-CE 3.67Å; T87-M191 HydrophobicContact CG2-SD 3.76Å
88	Q	96	Very high	94.6	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.019	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.8	178.6	-53.5	-175.8	28.3	0	0	108.8	V61 R62 F63 W90 I120 T147 W148	V61-Q88 HydrophobicContact CG1-CB 4.44Å; R62-Q88 WeakPolarHBondContact O-CA 2.89Å; F63-Q88 HydrophobicContact CD2-CG 4.07Å; F63-Q88 HydrophobicContact CE2-CG 4.28Å; Q88-W90 HydrophobicContact CB-CE3 4.28Å; Q88-W90 HydrophobicContact CB-CZ3 3.9Å; Q88-I120 HydrophobicContact CG-CD1 4.46Å; Q88-T147 WeakPolarHBondContact O-CA 3.39Å; Q88-W148 HydrophobicContact CG-CE3 4.47Å; Q88-W148 PolarHBondContact N-O 2.66Å; Q88-W148 PolarHBondContact O-N 2.76Å
89	E	97.4	Very high	94.8	Very high	61 Å²	61	37 Å²	37	29%	0.285	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.4	176.3	-70.9	179.9	170.2	0	0	111.7	V61 R62 I146 T147 M191	V61-E89 CarbonylContact C-O 3.52Å; V61-E89 WeakPolarHBondContact CA-O 3.25Å; R62-E89 HydrophobicContact CB-CB 4.18Å; R62-E89 PolarHBondContact N-O 3.25Å; R62-E89 PolarHBondContact O-N 3.04Å; E89-I146 VanDerWaalsContact CA-O 3.25Å; E89-I146 WeakPolarHBondContact CA-O 3.33Å; E89-T147 HydrophobicContact CG-CG2 3.93Å; E89-T147 PolarHBondContact OE1-OG1 2.93Å; E89-M191 HydrophobicContact CB-CE 3.67Å; E89-M191 VanDerWaalsContact CD-CE 3.41Å; E89-M191 HydrophobicContact CG-CE 3.43Å; E89-M191 VanDerWaalsContact CG-CE 3.43Å; E89-M191 WeakPolarHBondContact OE2-CE 3.14Å
90	W	96.9	Very high	94.8	Very high	5 Å²	5	42.2 Å²	42.2	2%	0.019	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	174.9	173.9	67.7	100.4	0	0	0	110.1	V59 V61 Q88 I115 W116 L117 I146 W148	V59-W90 HydrophobicContact CG1-CB 4.31Å; V61-W90 HydrophobicContact CG2-CB 4.22Å; Q88-W90 HydrophobicContact CB-CE3 4.28Å; Q88-W90 HydrophobicContact CB-CZ3 3.9Å; W90-I115 HydrophobicContact CZ2-CD1 4.05Å; W90-W116 AromaticContact CD1-CZ3 3.91Å; W90-W116 HydrophobicContact CG-CZ3 4.33Å; W90-W116 VanDerWaalsContact CZ2-O 3.29Å; W90-W116 WeakPolarHBondContact CZ2-O 3.39Å; W90-W116 AromaticContact NE1-CE3 3.72Å; W90-W116 AromaticContact NE1-CZ3 3.97Å; W90-L117 HydrophobicContact CH2-CD2 3.63Å; W90-L117 HydrophobicContact CZ2-CD2 3.88Å; W90-I146 HydrophobicContact CD2-CB 4.18Å; W90-I146 HydrophobicContact CD2-CG2 4.42Å; W90-I146 HydrophobicContact CH2-CB 4.44Å; W90-I146 HydrophobicContact CH2-CG2 3.65Å; W90-I146 HydrophobicContact CZ2-CB 4.04Å; W90-I146 HydrophobicContact CZ2-CD1 4.17Å; W90-I146 HydrophobicContact CZ2-CG2 3.5Å; W90-I146 VanDerWaalsContact CZ2-CG2 3.5Å; W90-I146 HydrophobicContact CZ3-CG2 4.17Å; W90-I146 PolarHBondContact N-O 3.48Å; W90-I146 VanDerWaalsContact N-O 3.14Å; W90-I146 PolarHBondContact O-N 2.94Å; W90-W148 HydrophobicContact CH2-CB 3.78Å; W90-W148 HydrophobicContact CZ3-CB 3.8Å
91	I	96.6	Very high	94.7	Very high	99 Å²	99	47.9 Å²	47.9	51%	0.508	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.6	179.5	-60.3	175.6	0	0	0	108.2	G144	I91-G144 CarbonylContact C-O 3.58Å; I91-G144 WeakPolarHBondContact CA-O 3.41Å
92	D	96.4	Very high	94.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.228	C	C	.	.			trans	-109.6	117.2	168.9	-169.6	-23.1	0	0	0	109.8	Y45 P51 K94 L95 G144 I146	Y45-D92 WeakPolarHBondContact CE2-OD2 3.31Å; Y45-D92 PolarHBondContact OH-OD2 3.19Å; P51-D92 HydrophobicContact CB-CB 3.9Å; P51-D92 VanDerWaalsContact CB-OD1 3.24Å; P51-D92 WeakPolarHBondContact CB-OD1 3.18Å; P51-D92 HydrophobicContact CG-CB 4.29Å; D92-K94 VanDerWaalsContact C-N 3.28Å; D92-K94 PolarHBondContact O-N 2.91Å; D92-K94 WeakPolarHBondContact OD1-CB 3.44Å; D92-K94 PolarHBondContact OD1-N 3.35Å; D92-L95 HydrophobicContact CB-CB 4.33Å; D92-L95 HydrophobicContact CB-CD1 4.21Å; D92-L95 HydrophobicContact CB-CG 4.37Å; D92-L95 PolarHBondContact O-N 2.86Å; D92-G144 PolarHBondContact N-O 2.78Å; D92-G144 WeakPolarHBondContact O-CA 3.49Å; D92-I146 HydrophobicContact CB-CD1 3.59Å
93	Y	93.9	Very high	94.2	Very high	82 Å²	82	50.1 Å²	50.1	32%	0.322	25%	0.246	S	C	.	.	S	Bend	trans	-71.3	-23.4	-179.2	79.1	-84	0	0	0	113.1	P51 I52 Q53 L95	P51-Y93 HydrophobicContact CB-CD1 4.46Å; I52-Y93 WeakPolarHBondContact O-CE1 3.34Å; Q53-Y93 HydrophobicContact CG-CD1 4.15Å; Q53-Y93 HydrophobicContact CG-CD2 4.1Å; Q53-Y93 HydrophobicContact CG-CE2 4.44Å; Q53-Y93 HydrophobicContact CG-CG 3.94Å; Y93-L95 VanDerWaalsContact C-N 3.33Å
94	K	93.6	Very high	94.1	Very high	72 Å²	72	50 Å²	50	31%	0.313	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-24.4	-179.9	-61.4	-179	-178	178.4	0	112	Y45 D92 R96	Y45-K94 HydrophobicContact CD2-CB 4.13Å; Y45-K94 HydrophobicContact CD2-CD 4.22Å; Y45-K94 HydrophobicContact CE2-CB 4.03Å; Y45-K94 HydrophobicContact CE2-CD 4.18Å; D92-K94 VanDerWaalsContact C-N 3.28Å; D92-K94 PolarHBondContact O-N 2.91Å; D92-K94 WeakPolarHBondContact OD1-CB 3.44Å; D92-K94 PolarHBondContact OD1-N 3.35Å; K94-R96 VanDerWaalsContact C-N 3.32Å; K94-R96 PolarHBondContact O-N 3.42Å
95	L	95.2	Very high	94.1	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	37.2	-177.3	-62.9	175.6	0	0	0	112.6	L41 F42 Y45 D92 Y93 W97 I115 V140 I146	L41-L95 HydrophobicContact CB-CD2 4.2Å; F42-L95 HydrophobicContact CE1-CD2 4.38Å; F42-L95 HydrophobicContact CZ-CD2 4.2Å; Y45-L95 HydrophobicContact CD2-CD2 4.02Å; Y45-L95 HydrophobicContact CD2-CG 4.38Å; Y45-L95 HydrophobicContact CE2-CD1 4.07Å; Y45-L95 HydrophobicContact CE2-CD2 3.94Å; Y45-L95 HydrophobicContact CE2-CG 3.83Å; D92-L95 HydrophobicContact CB-CB 4.33Å; D92-L95 HydrophobicContact CB-CD1 4.21Å; D92-L95 HydrophobicContact CB-CG 4.37Å; D92-L95 PolarHBondContact O-N 2.86Å; Y93-L95 VanDerWaalsContact C-N 3.33Å; L95-W97 WeakPolarHBondContact O-CZ3 3.26Å; L95-I115 HydrophobicContact CD1-CB 4.45Å; L95-I115 HydrophobicContact CD1-CG2 3.78Å; L95-V140 HydrophobicContact CB-CG1 4.03Å; L95-I146 HydrophobicContact CD1-CD1 3.82Å
96	R	95.3	Very high	94.1	Very high	122 Å²	122	49.7 Å²	49.7	46%	0.46	27%	0.265	S	S	.	.			trans	-102.4	142.8	178.3	-68.9	-177.9	173.9	174.3	3.7	111.3	K94 H142 N143	K94-R96 VanDerWaalsContact C-N 3.32Å; K94-R96 PolarHBondContact O-N 3.42Å; R96-H142 WeakPolarHBondContact CA-O 3.45Å; R96-N143 PolarHBondContact NE-O 2.9Å
97	W	95.3	Very high	94.2	Very high	23 Å²	23	52.5 Å²	52.5	9%	0.087	29%	0.285	C	S	.	.			trans	-147.9	162.9	173.4	69.7	95.8	0	0	0	111.5	L37 L41 L95 Y102 I105 I108 V140 K141 H142	L37-W97 HydrophobicContact CD1-CB 3.74Å; L37-W97 HydrophobicContact CD1-CD2 4.06Å; L37-W97 HydrophobicContact CD1-CG 3.66Å; L37-W97 HydrophobicContact CD2-CD2 4.02Å; L37-W97 HydrophobicContact CD2-CG 4.15Å; L37-W97 HydrophobicContact CD2-CZ2 4.28Å; L41-W97 HydrophobicContact CD1-CE3 3.97Å; L41-W97 HydrophobicContact CD1-CZ3 4.26Å; L41-W97 HydrophobicContact CD2-CE3 4.42Å; L95-W97 WeakPolarHBondContact O-CZ3 3.26Å; W97-Y102 HydrophobicContact CB-CD2 4.37Å; W97-Y102 HydrophobicContact CB-CE2 4.45Å; W97-Y102 AromaticContact CD1-CD2 4Å; W97-I105 HydrophobicContact CZ2-CG2 4.35Å; W97-I105 PolarHBondContact NE1-O 2.88Å; W97-I108 HydrophobicContact CH2-CD1 4.2Å; W97-I108 HydrophobicContact CH2-CG1 3.85Å; W97-I108 HydrophobicContact CH2-CG2 4.44Å; W97-I108 HydrophobicContact CZ2-CG2 4.31Å; W97-I108 HydrophobicContact CZ3-CD1 4.24Å; W97-I108 HydrophobicContact CZ3-CG1 4.32Å; W97-V140 HydrophobicContact CH2-CG1 4.33Å; W97-V140 WeakPolarHBondContact CH2-O 3.38Å; W97-V140 HydrophobicContact CZ3-CG1 3.91Å; W97-K141 WeakPolarHBondContact CZ3-O 3.49Å; W97-H142 HydrophobicContact CD2-CB 4Å; W97-H142 HydrophobicContact CG-CB 4.46Å; W97-H142 HydrophobicContact CH2-CB 4.28Å; W97-H142 VanDerWaalsContact CH2-N 3.32Å; W97-H142 VanDerWaalsContact CZ2-CA 3.46Å; W97-H142 HydrophobicContact CZ2-CB 3.71Å; W97-H142 PolarHBondContact N-O 2.7Å; W97-H142 VanDerWaalsContact N-O 3.17Å
98	S	95.6	Very high	94.2	Very high	43 Å²	43	51.1 Å²	51.1	30%	0.301	28%	0.276	S	S	.	.			trans	-89.2	122	171.6	-176.7	0	0	0	0	110	D100 E101	S98-D100 PolarHBondContact O-N 3.01Å; S98-E101 PolarHBondContact O-N 2.96Å
99	P	94.5	Very high	94.1	Very high	25 Å²	25	59.7 Å²	59.7	16%	0.162	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.3	176.5	-26.7	35.9	0	0	0	113.2	E101 Y102 G103 G104 H142	P99-E101 VanDerWaalsContact C-N 3.29Å; P99-E101 PolarHBondContact O-N 2.79Å; P99-Y102 CarbonylContact O-C 3.56Å; P99-Y102 PolarHBondContact O-N 3.06Å; P99-Y102 VanDerWaalsContact O-N 3.15Å; P99-G103 PolarHBondContact O-N 2.79Å; P99-G104 WeakPolarHBondContact O-CA 3.5Å; P99-G104 PolarHBondContact O-N 3Å; P99-H142 HydrophobicContact CG-CB 3.88Å
100	D	92.4	Very high	94	Very high	145 Å²	145	56.9 Å²	56.9	78%	0.775	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-34.7	-176.5	-58.5	-34.7	0	0	0	112.3	S98	S98-D100 PolarHBondContact O-N 3.01Å
101	E	90.5	Very high	93.9	Very high	119 Å²	119	59.1 Å²	59.1	56%	0.556	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-29.8	177.8	-68.7	177.7	-163.7	0	0	112.5	K40 S98 P99	K40-E101 IonicContact NZ-OE2 3.44Å; K40-E101 PolarHBondContact NZ-OE2 2.98Å; S98-E101 PolarHBondContact O-N 2.96Å; P99-E101 VanDerWaalsContact C-N 3.29Å; P99-E101 PolarHBondContact O-N 2.79Å
102	Y	90.2	Very high	93.7	Very high	29 Å²	29	54.4 Å²	54.4	11%	0.114	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	25.4	-169.8	-65.8	-78.5	0	0	0	113.5	L37 K40 W97 P99 I105	L37-Y102 HydrophobicContact CB-CD1 3.62Å; L37-Y102 HydrophobicContact CB-CE1 3.94Å; L37-Y102 HydrophobicContact CB-CG 4.1Å; L37-Y102 HydrophobicContact CD1-CD1 4.12Å; L37-Y102 HydrophobicContact CD1-CD2 3.84Å; L37-Y102 HydrophobicContact CD1-CE1 4.17Å; L37-Y102 HydrophobicContact CD1-CE2 3.91Å; L37-Y102 HydrophobicContact CD1-CG 3.96Å; L37-Y102 HydrophobicContact CD2-CG 4.39Å; L37-Y102 HydrophobicContact CG-CD1 4.35Å; L37-Y102 HydrophobicContact CG-CG 4.37Å; K40-Y102 WeakPolarHBondContact CD-OH 3.29Å; K40-Y102 WeakPolarHBondContact CE-OH 3.3Å; K40-Y102 PolarHBondContact NZ-OH 3.18Å; W97-Y102 HydrophobicContact CB-CD2 4.37Å; W97-Y102 HydrophobicContact CB-CE2 4.45Å; W97-Y102 AromaticContact CD1-CD2 4Å; P99-Y102 CarbonylContact O-C 3.56Å; P99-Y102 PolarHBondContact O-N 3.06Å; P99-Y102 VanDerWaalsContact O-N 3.15Å; Y102-I105 VanDerWaalsContact O-CD1 3.29Å; Y102-I105 WeakPolarHBondContact O-CD1 3.35Å; Y102-I105 VanDerWaalsContact O-CG1 3.3Å; Y102-I105 WeakPolarHBondContact O-CG1 3.19Å
103	G	86.4	Confident	93.5	Very high	37 Å²	37	59.6 Å²	59.6	38%	0.381	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	32.3	173.7	0	0	0	0	0	113.9	P99	P99-G103 PolarHBondContact O-N 2.79Å
104	G	91.9	Very high	93.5	Very high	46 Å²	46	59.6 Å²	59.6	47%	0.474	32%	0.316	S	S	.	.	S	Bend	trans	81.4	13.9	175.6	0	0	0	0	0	114.6	P99 T106	P99-G104 WeakPolarHBondContact O-CA 3.5Å; P99-G104 PolarHBondContact O-N 3Å; G104-T106 PolarHBondContact O-N 2.86Å
105	I	93.7	Very high	93.6	Very high	16 Å²	16	56.3 Å²	56.3	8%	0.082	30%	0.302	C	S	.	.			trans	-67	114.9	178	-62.7	170.2	0	0	0	109.2	L30 K33 E34 L37 W97 Y102 I108	L30-I105 HydrophobicContact CD1-CD1 4.02Å; L30-I105 HydrophobicContact CD1-CG1 3.71Å; K33-I105 HydrophobicContact CB-CD1 4.48Å; E34-I105 HydrophobicContact CB-CD1 3.82Å; E34-I105 HydrophobicContact CG-CD1 4.35Å; L37-I105 HydrophobicContact CD2-CG2 4.17Å; W97-I105 HydrophobicContact CZ2-CG2 4.35Å; W97-I105 PolarHBondContact NE1-O 2.88Å; Y102-I105 VanDerWaalsContact O-CD1 3.29Å; Y102-I105 WeakPolarHBondContact O-CD1 3.35Å; Y102-I105 VanDerWaalsContact O-CG1 3.3Å; Y102-I105 WeakPolarHBondContact O-CG1 3.19Å; I105-I108 HydrophobicContact CG2-CG2 3.67Å
106	T	94.6	Very high	93.6	Very high	81 Å²	81	56.4 Å²	56.4	50%	0.497	30%	0.302	S	S	.	.			trans	-99.7	-20.7	179.6	53.6	0	0	0	0	113.4	G104 K141 H142	G104-T106 PolarHBondContact O-N 2.86Å; T106-K141 CarbonylContact O-C 3.58Å; T106-K141 WeakPolarHBondContact O-CA 3.28Å; T106-H142 PolarHBondContact O-N 2.95Å
107	S	95.8	Very high	93.5	Very high	60 Å²	60	52.5 Å²	52.5	42%	0.42	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	145.3	177.9	63.6	0	0	0	0	112	V140	S107-V140 CarbonylContact C-O 3.55Å; S107-V140 WeakPolarHBondContact CA-O 3.49Å
108	I	95.4	Very high	93.5	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	157.4	175.8	59.8	175.2	0	0	0	110.4	E34 L37 L38 L41 W97 I105 V110 V140	E34-I108 HydrophobicContact CG-CG2 4.35Å; L37-I108 HydrophobicContact CD2-CG2 3.9Å; L38-I108 HydrophobicContact CD2-CD1 3.94Å; L41-I108 HydrophobicContact CD1-CD1 3.57Å; W97-I108 HydrophobicContact CH2-CD1 4.2Å; W97-I108 HydrophobicContact CH2-CG1 3.85Å; W97-I108 HydrophobicContact CH2-CG2 4.44Å; W97-I108 HydrophobicContact CZ2-CG2 4.31Å; W97-I108 HydrophobicContact CZ3-CD1 4.24Å; W97-I108 HydrophobicContact CZ3-CG1 4.32Å; I105-I108 HydrophobicContact CG2-CG2 3.67Å; I108-V110 HydrophobicContact CD1-CG2 3.83Å; I108-V110 HydrophobicContact CG1-CG2 4.01Å; I108-V140 HydrophobicContact CG1-CB 3.92Å; I108-V140 PolarHBondContact N-O 3.39Å; I108-V140 PolarHBondContact O-N 2.95Å
109	R	95.4	Very high	93.3	Very high	184 Å²	184	51.6 Å²	51.6	69%	0.694	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	112.2	177.7	-67.4	173.8	-178.9	124.2	-3.2	110	K137 A138 I139	R109-K137 HydrophobicContact CB-CB 4.49Å; R109-K137 HydrophobicContact CB-CD 4.33Å; R109-A138 WeakPolarHBondContact CA-O 3.42Å; R109-I139 HydrophobicContact CG-CG1 4.47Å
110	V	94.8	Very high	93.2	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.5	-175.6	-176.3	0	0	0	0	109.5	L38 F42 I108 S112 N114 I115 K137 A138 V140	L38-V110 HydrophobicContact CD2-CG2 4.07Å; F42-V110 HydrophobicContact CE1-CG1 4.19Å; F42-V110 HydrophobicContact CE2-CG1 3.85Å; F42-V110 HydrophobicContact CE2-CG2 4.03Å; F42-V110 HydrophobicContact CZ-CB 4.32Å; F42-V110 HydrophobicContact CZ-CG1 3.38Å; F42-V110 HydrophobicContact CZ-CG2 4.04Å; I108-V110 HydrophobicContact CD1-CG2 3.83Å; I108-V110 HydrophobicContact CG1-CG2 4.01Å; V110-S112 PolarHBondContact O-N 2.86Å; V110-N114 HydrophobicContact CG1-CB 4.36Å; V110-I115 HydrophobicContact CG1-CG2 4.04Å; V110-K137 CarbonylContact O-C 3.54Å; V110-K137 VanDerWaalsContact O-CA 3.25Å; V110-K137 WeakPolarHBondContact O-CA 3.32Å; V110-A138 PolarHBondContact N-O 2.91Å; V110-A138 PolarHBondContact O-N 2.88Å; V110-V140 HydrophobicContact CB-CG2 4.39Å; V110-V140 HydrophobicContact CG2-CG2 4.04Å
111	P	94.9	Very high	93.2	Very high	52 Å²	52	45 Å²	45	34%	0.338	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	129.9	168	-24.1	34.3	0	0	0	111.6	E113 N114	P111-E113 PolarHBondContact O-N 3.1Å; P111-N114 PolarHBondContact O-N 2.8Å; P111-N114 VanDerWaalsContact O-N 3.11Å
112	S	92.9	Very high	93.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-58.5	-32	-178.9	58.1	0	0	0	0	112.4	V110 N114 I115 L117 T136	V110-S112 PolarHBondContact O-N 2.86Å; S112-N114 PolarHBondContact O-N 2.64Å; S112-I115 WeakPolarHBondContact O-CG1 3.45Å; S112-I115 PolarHBondContact O-N 3.06Å; S112-L117 WeakPolarHBondContact O-CD1 3.3Å; S112-T136 WeakPolarHBondContact CB-O 3.46Å; S112-T136 PolarHBondContact N-O 2.89Å; S112-T136 PolarHBondContact OG-O 3.39Å
113	E	92	Very high	93.3	Very high	109 Å²	109	40.8 Å²	40.8	51%	0.509	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-62.1	-22.5	179	-61.5	175.2	-167	0	0	114	R47 P111 M135	R47-E113 WeakPolarHBondContact CD-O 3.18Å; R47-E113 PolarHBondContact NH1-O 3.45Å; P111-E113 PolarHBondContact O-N 3.1Å; E113-M135 HydrophobicContact CG-CB 4.12Å; E113-M135 HydrophobicContact CG-CG 4.2Å
114	N	92.8	Very high	93.3	Very high	82 Å²	82	42.3 Å²	42.3	44%	0.439	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-91.6	-7.4	-176.6	-69	-13.2	0	0	0	113.4	F42 V110 P111 S112	F42-N114 HydrophobicContact CE1-CB 4.32Å; V110-N114 HydrophobicContact CG1-CB 4.36Å; P111-N114 PolarHBondContact O-N 2.8Å; P111-N114 VanDerWaalsContact O-N 3.11Å; S112-N114 PolarHBondContact O-N 2.64Å
115	I	95.3	Very high	93.1	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.015	21%	0.206	C	C	.	.	S	Bend	trans	-114.7	162.6	-179.2	58.4	171	0	0	0	110.7	F42 W90 L95 V110 S112 L117 A138 I146	F42-I115 HydrophobicContact CE1-CG2 3.83Å; F42-I115 HydrophobicContact CZ-CG2 3.91Å; W90-I115 HydrophobicContact CZ2-CD1 4.05Å; L95-I115 HydrophobicContact CD1-CB 4.45Å; L95-I115 HydrophobicContact CD1-CG2 3.78Å; V110-I115 HydrophobicContact CG1-CG2 4.04Å; S112-I115 WeakPolarHBondContact O-CG1 3.45Å; S112-I115 PolarHBondContact O-N 3.06Å; I115-L117 HydrophobicContact CD1-CD2 4.21Å; I115-L117 HydrophobicContact CG1-CD2 4.08Å; I115-L117 PolarHBondContact O-N 3.01Å; I115-A138 HydrophobicContact CD1-CB 3.7Å; I115-I146 HydrophobicContact CD1-CD1 4.34Å; I115-I146 HydrophobicContact CD1-CG2 3.95Å
116	W	95.8	Very high	92.5	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.011	22%	0.221	C	C	.	.			trans	-65.6	131.5	168.9	179	89.1	0	0	0	109.8	Y45 R47 R50 P51 V59 W90 P118 Y181 V186	Y45-W116 PolarHBondContact OH-N 2.92Å; R47-W116 VanDerWaalsContact O-CA 3.28Å; R47-W116 WeakPolarHBondContact O-CA 3.45Å; R47-W116 VanDerWaalsContact O-CB 3.3Å; R47-W116 WeakPolarHBondContact O-CB 3.24Å; R50-W116 HydrophobicContact CB-CZ2 4.44Å; R50-W116 HydrophobicContact CG-CZ2 3.78Å; P51-W116 VanDerWaalsContact CD-CD2 3.44Å; P51-W116 VanDerWaalsContact CD-CE3 3.48Å; P51-W116 HydrophobicContact CG-CD2 4.25Å; P51-W116 HydrophobicContact CG-CE3 3.82Å; P51-W116 HydrophobicContact CG-CZ3 4.24Å; V59-W116 HydrophobicContact CB-CH2 4.32Å; V59-W116 HydrophobicContact CG1-CH2 3.91Å; V59-W116 HydrophobicContact CG1-CZ3 3.92Å; V59-W116 HydrophobicContact CG2-CH2 4.43Å; W90-W116 AromaticContact CD1-CZ3 3.91Å; W90-W116 HydrophobicContact CG-CZ3 4.33Å; W90-W116 VanDerWaalsContact CZ2-O 3.29Å; W90-W116 WeakPolarHBondContact CZ2-O 3.39Å; W90-W116 AromaticContact NE1-CE3 3.72Å; W90-W116 AromaticContact NE1-CZ3 3.97Å; W116-P118 HydrophobicContact CH2-CB 3.93Å; W116-P118 HydrophobicContact CZ3-CB 4.31Å; W116-Y181 HydrophobicContact CZ2-CE2 4.13Å; W116-Y181 PolarHBondContact NE1-OH 2.76Å; W116-V186 HydrophobicContact CH2-CG2 4.36Å; W116-V186 HydrophobicContact CZ2-CG2 4.42Å
117	L	94.1	Very high	91.7	Very high	40 Å²	40	42 Å²	42	21%	0.209	22%	0.216	C	C	.	.			trans	-122.7	141.3	176.7	-61.8	172.9	0	0	0	109.5	W90 S112 I115 W148	W90-L117 HydrophobicContact CH2-CD2 3.63Å; W90-L117 HydrophobicContact CZ2-CD2 3.88Å; S112-L117 WeakPolarHBondContact O-CD1 3.3Å; I115-L117 HydrophobicContact CD1-CD2 4.21Å; I115-L117 HydrophobicContact CG1-CD2 4.08Å; I115-L117 PolarHBondContact O-N 3.01Å; L117-W148 HydrophobicContact CD1-CH2 4.24Å; L117-W148 HydrophobicContact CD1-CZ2 4.48Å; L117-W148 HydrophobicContact CD1-CZ3 4.43Å; L117-W148 HydrophobicContact CD2-CD2 4.15Å; L117-W148 HydrophobicContact CD2-CE3 3.97Å; L117-W148 HydrophobicContact CD2-CZ3 4.27Å
118	P	94	Very high	90.4	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.039	22%	0.221	C	C	.	.			trans	-71.9	143.1	167.9	32.8	-34.6	0	0	0	110.1	V61 W116 I120	V61-P118 HydrophobicContact CG1-CG 4.21Å; V61-P118 HydrophobicContact CG2-CB 4.11Å; V61-P118 HydrophobicContact CG2-CG 4.14Å; W116-P118 HydrophobicContact CH2-CB 3.93Å; W116-P118 HydrophobicContact CZ3-CB 4.31Å; P118-I120 VanDerWaalsContact C-N 3.26Å; P118-I120 HydrophobicContact CB-CD1 4.33Å; P118-I120 HydrophobicContact CB-CG1 4.12Å; P118-I120 HydrophobicContact CG-CD1 4.12Å; P118-I120 HydrophobicContact CG-CG1 4.32Å; P118-I120 PolarHBondContact O-N 2.79Å; P118-I120 VanDerWaalsContact O-N 3.1Å
119	D	91.6	Very high	89.4	Confident	40 Å²	40	51 Å²	51	21%	0.214	26%	0.257	C	S	.	.			trans	-87.7	56.4	-178.1	64.4	-24.2	0	0	0	111.7	V121 S178 W179 T180 Y181	D119-V121 PolarHBondContact O-N 3.2Å; D119-S178 WeakPolarHBondContact O-CA 3.29Å; D119-S178 WeakPolarHBondContact OD1-CB 3.27Å; D119-S178 PolarHBondContact OD1-OG 3.32Å; D119-W179 PolarHBondContact O-N 3.37Å; D119-W179 VanDerWaalsContact O-N 3.15Å; D119-W179 PolarHBondContact OD2-N 2.77Å; D119-T180 VanDerWaalsContact OD2-CB 3.27Å; D119-T180 WeakPolarHBondContact OD2-CB 3.27Å; D119-T180 WeakPolarHBondContact OD2-CG2 3.25Å; D119-T180 PolarHBondContact OD2-N 3.38Å; D119-T180 PolarHBondContact OD2-OG1 3.35Å; D119-Y181 WeakPolarHBondContact OD1-CD2 3.49Å
120	I	92.6	Very high	88.1	Confident	15 Å²	15	46.1 Å²	46.1	8%	0.077	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118.2	-180	-57.7	174.2	0	0	0	109.3	V61 F63 Q88 P118 F176 G177 L188	V61-I120 HydrophobicContact CG1-CD1 3.98Å; F63-I120 HydrophobicContact CD2-CD1 3.89Å; F63-I120 HydrophobicContact CD2-CG2 4.43Å; F63-I120 HydrophobicContact CE2-CD1 4.24Å; F63-I120 HydrophobicContact CE2-CG2 3.87Å; F63-I120 HydrophobicContact CZ-CG2 4.14Å; Q88-I120 HydrophobicContact CG-CD1 4.46Å; P118-I120 VanDerWaalsContact C-N 3.26Å; P118-I120 HydrophobicContact CB-CD1 4.33Å; P118-I120 HydrophobicContact CB-CG1 4.12Å; P118-I120 HydrophobicContact CG-CD1 4.12Å; P118-I120 HydrophobicContact CG-CG1 4.32Å; P118-I120 PolarHBondContact O-N 2.79Å; P118-I120 VanDerWaalsContact O-N 3.1Å; I120-F176 HydrophobicContact CG2-CB 4.04Å; I120-F176 HydrophobicContact CG2-CD1 4.35Å; I120-G177 WeakPolarHBondContact CA-O 3.32Å; I120-L188 HydrophobicContact CD1-CD2 3.61Å; I120-L188 HydrophobicContact CG1-CD2 4.17Å
121	V	92.3	Very high	86.7	Confident	17 Å²	17	54.5 Å²	54.5	10%	0.103	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	156.8	-179.1	-61	0	0	0	0	111.4	D119 Y123 F130 F176 G177 W179	D119-V121 PolarHBondContact O-N 3.2Å; V121-Y123 HydrophobicContact CG2-CD1 4.01Å; V121-Y123 HydrophobicContact CG2-CE1 4.02Å; V121-F130 HydrophobicContact CG1-CB 4.48Å; V121-F176 WeakPolarHBondContact O-CA 3.18Å; V121-G177 PolarHBondContact N-O 3.11Å; V121-G177 PolarHBondContact O-N 2.79Å; V121-G177 VanDerWaalsContact O-N 3.08Å; V121-W179 HydrophobicContact CG2-CB 3.91Å; V121-W179 HydrophobicContact CG2-CD2 4.3Å; V121-W179 HydrophobicContact CG2-CE3 3.68Å; V121-W179 HydrophobicContact CG2-CG 4.44Å
122	L	92.6	Very high	84.9	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.1	168	176.9	66.8	0	0	0	108.9	N125 Y154 M174 K175 F176	L122-N125 HydrophobicContact CB-CB 4.3Å; L122-N125 HydrophobicContact CD2-CB 4Å; L122-N125 HydrophobicContact CG-CB 4.14Å; L122-Y154 HydrophobicContact CB-CD1 4.09Å; L122-Y154 HydrophobicContact CB-CE1 4.05Å; L122-Y154 HydrophobicContact CD2-CD1 3.69Å; L122-Y154 HydrophobicContact CD2-CE1 4.49Å; L122-Y154 HydrophobicContact CD2-CG 3.96Å; L122-M174 HydrophobicContact CD1-CB 3.91Å; L122-M174 HydrophobicContact CD1-CE 4.36Å; L122-M174 HydrophobicContact CD2-CE 4.14Å; L122-K175 WeakPolarHBondContact CA-O 3.21Å; L122-F176 HydrophobicContact CB-CD1 4.33Å; L122-F176 HydrophobicContact CB-CE1 4.03Å; L122-F176 HydrophobicContact CD1-CE1 4.38Å; L122-F176 HydrophobicContact CD1-CE2 4.44Å; L122-F176 HydrophobicContact CD1-CZ 4.27Å
123	Y	90.5	Very high	84	Confident	59 Å²	59	54.5 Å²	54.5	23%	0.231	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-40	-177.1	-68.1	-27.3	0	0	0	113.3	V121 N125 K175 S178 W179 F227	V121-Y123 HydrophobicContact CG2-CD1 4.01Å; V121-Y123 HydrophobicContact CG2-CE1 4.02Å; Y123-N125 VanDerWaalsContact C-N 3.31Å; Y123-N125 PolarHBondContact O-N 2.87Å; Y123-K175 HydrophobicContact CD2-CB 4.37Å; Y123-K175 PolarHBondContact N-O 2.84Å; Y123-S178 PolarHBondContact OH-O 2.88Å; Y123-W179 HydrophobicContact CD1-CE3 4.12Å; Y123-W179 HydrophobicContact CD1-CZ3 4.15Å; Y123-W179 HydrophobicContact CE1-CE3 4.05Å; Y123-W179 HydrophobicContact CE1-CZ3 4.44Å; Y123-F227 HydrophobicContact CE2-CB 4.18Å
124	E	86.9	Confident	83.4	Confident	68 Å²	68	54.9 Å²	54.9	32%	0.318	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	45.3	-177.2	-68.4	169	-177.5	0	0	111.1	S156 A157 K175	E124-S156 WeakPolarHBondContact O-CA 3.41Å; E124-A157 PolarHBondContact O-N 3.1Å; E124-K175 IonicContact OE1-NZ 2.66Å; E124-K175 PolarHBondContact OE1-NZ 2.96Å; E124-K175 IonicContact OE2-NZ 3.82Å
125	N	87.4	Confident	82.9	Confident	17 Å²	17	54.9 Å²	54.9	9%	0.091	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-85.4	122.6	179	-174.4	22.9	0	0	0	111.2	L122 Y123 D127 R129 F130 K155	L122-N125 HydrophobicContact CB-CB 4.3Å; L122-N125 HydrophobicContact CD2-CB 4Å; L122-N125 HydrophobicContact CG-CB 4.14Å; Y123-N125 VanDerWaalsContact C-N 3.31Å; Y123-N125 PolarHBondContact O-N 2.87Å; N125-D127 PolarHBondContact OD1-N 3.16Å; N125-R129 PolarHBondContact ND2-O 2.88Å; N125-F130 HydrophobicContact CB-CD1 3.96Å; N125-F130 HydrophobicContact CB-CE1 3.72Å; N125-K155 PolarHBondContact OD1-O 3.49Å; N125-K155 VanDerWaalsContact OD1-O 3.11Å
126	A	81.4	Confident	82.8	Confident	49 Å²	49	56.4 Å²	56.4	41%	0.405	30%	0.299	S	S	.	.	S	Bend	trans	-87.2	-18.2	-177.1	0	0	0	0	0	114.2	L79 G128 K155	L79-A126 HydrophobicContact CD1-CB 4.42Å; L79-A126 HydrophobicContact CD2-CB 3.16Å; L79-A126 HydrophobicContact CG-CB 4.41Å; A126-G128 PolarHBondContact O-N 3.31Å; A126-K155 PolarHBondContact N-O 3.04Å
127	D	76.3	Confident	82.7	Confident	70 Å²	70	62.8 Å²	62.8	37%	0.374	33%	0.327	S	S	.	.	S	Bend	trans	-76.1	-6.6	-177.3	-101.2	-9.9	0	0	0	113.7	N125 R129 K155	N125-D127 PolarHBondContact OD1-N 3.16Å; D127-R129 PolarHBondContact O-N 2.9Å; D127-K155 HydrophobicContact CB-CB 4.43Å; D127-K155 VanDerWaalsContact CG-CD 3.47Å; D127-K155 VanDerWaalsContact OD1-CD 3.26Å; D127-K155 WeakPolarHBondContact OD1-CD 3.38Å; D127-K155 WeakPolarHBondContact OD1-CE 3.45Å; D127-K155 IonicContact OD1-NZ 3.61Å; D127-K155 PolarHBondContact OD1-NZ 3.44Å; D127-K155 VanDerWaalsContact OD2-CD 3.26Å; D127-K155 WeakPolarHBondContact OD2-CD 3.32Å; D127-K155 WeakPolarHBondContact OD2-CE 3.45Å; D127-K155 VanDerWaalsContact OD2-CG 3.3Å; D127-K155 WeakPolarHBondContact OD2-CG 3.25Å; D127-K155 IonicContact OD2-NZ 2.73Å; D127-K155 PolarHBondContact OD2-NZ 3.4Å
128	G	68.9	Low	82.8	Confident	52 Å²	52	60.9 Å²	60.9	54%	0.536	32%	0.317	S	S	.	.	S	Bend	trans	66.4	-4.5	-176.5	0	0	0	0	0	114.9	A126 F130	A126-G128 PolarHBondContact O-N 3.31Å; G128-F130 WeakPolarHBondContact O-CD2 3.36Å
129	R	74.5	Confident	83	Confident	201 Å²	201	63.8 Å²	63.8	76%	0.758	33%	0.331	S	S	*	.			trans	-100.6	93	176.7	-62.6	-177.5	-173.6	-165.6	1.8	110.2	N125 D127 E131	N125-R129 PolarHBondContact ND2-O 2.88Å; D127-R129 PolarHBondContact O-N 2.9Å; R129-E131 VanDerWaalsContact C-N 3.34Å
130	F	68	Low	83.2	Confident	82 Å²	82	61.9 Å²	61.9	36%	0.36	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17	-176.9	-61.8	-85.9	0	0	0	113.8	V121 N125 G128 G132	V121-F130 HydrophobicContact CG1-CB 4.48Å; N125-F130 HydrophobicContact CB-CD1 3.96Å; N125-F130 HydrophobicContact CB-CE1 3.72Å; G128-F130 WeakPolarHBondContact O-CD2 3.36Å; F130-G132 VanDerWaalsContact C-N 3.32Å; F130-G132 PolarHBondContact O-N 2.64Å
131	E	64.9	Low	83.5	Confident	177 Å²	177	65.9 Å²	65.9	83%	0.827	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	37	175	-62.3	-177.5	169.9	0	0	112.8	R129 S133	R129-E131 VanDerWaalsContact C-N 3.34Å; E131-S133 PolarHBondContact O-N 3.11Å
132	G	58.7	Low	83.7	Confident	34 Å²	34	68.4 Å²	68.4	35%	0.351	35%	0.349	S	S	.	.			trans	-71.8	7.3	-170.6	0	0	0	0	0	117.1	F130	F130-G132 VanDerWaalsContact C-N 3.32Å; F130-G132 PolarHBondContact O-N 2.64Å
133	S	72.8	Confident	83.8	Confident	19 Å²	19	72.1 Å²	72.1	13%	0.133	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-92.2	132.9	-179.5	-71.6	0	0	0	0	111.4	E131 M135	E131-S133 PolarHBondContact O-N 3.11Å; S133-M135 PolarHBondContact O-N 3.41Å
134	L	79.1	Confident	84	Confident	118 Å²	118	69.3 Å²	69.3	62%	0.618	36%	0.357	S	S	*	.			trans	-65.6	128.1	171.8	-175.7	69.9	0	0	0	109.5	T136 P150 P151	L134-T136 HydrophobicContact CB-CG2 4.5Å; L134-T136 HydrophobicContact CD2-CG2 4.18Å; L134-T136 HydrophobicContact CG-CG2 4.29Å; L134-T136 PolarHBondContact O-N 3.32Å; L134-P150 WeakPolarHBondContact O-CB 3.44Å; L134-P151 HydrophobicContact CB-CG 4.17Å; L134-P151 HydrophobicContact CD2-CG 4.32Å; L134-P151 PolarHBondContact N-O 2.58Å
135	M	83.6	Confident	84.5	Confident	81 Å²	81	67.1 Å²	67.1	40%	0.399	35%	0.351	S	S	.	.			trans	-72.1	88.8	177.2	-64.5	-60	153	0	0	110.6	E113 S133 W148	E113-M135 HydrophobicContact CG-CB 4.12Å; E113-M135 HydrophobicContact CG-CG 4.2Å; S133-M135 PolarHBondContact O-N 3.41Å; M135-W148 HydrophobicContact SD-CH2 4.3Å; M135-W148 HydrophobicContact SD-CZ2 3.94Å
136	T	92.1	Very high	85	Confident	35 Å²	35	66.3 Å²	66.3	22%	0.215	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-89.2	165.9	176.7	61.1	0	0	0	0	111.7	S112 L134 W148 P151	S112-T136 WeakPolarHBondContact CB-O 3.46Å; S112-T136 PolarHBondContact N-O 2.89Å; S112-T136 PolarHBondContact OG-O 3.39Å; L134-T136 HydrophobicContact CB-CG2 4.5Å; L134-T136 HydrophobicContact CD2-CG2 4.18Å; L134-T136 HydrophobicContact CG-CG2 4.29Å; L134-T136 PolarHBondContact O-N 3.32Å; T136-W148 PolarHBondContact O-NE1 3.22Å; T136-W148 PolarHBondContact OG1-NE1 2.99Å; T136-P151 HydrophobicContact CG2-CG 4.43Å
137	K	94.6	Very high	85.7	Confident	137 Å²	137	65.1 Å²	65.1	60%	0.596	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	134.7	172.1	-66.1	-176.9	179.1	-176.4	0	110.4	R109 V110	R109-K137 HydrophobicContact CB-CB 4.49Å; R109-K137 HydrophobicContact CB-CD 4.33Å; V110-K137 CarbonylContact O-C 3.54Å; V110-K137 VanDerWaalsContact O-CA 3.25Å; V110-K137 WeakPolarHBondContact O-CA 3.32Å
138	A	96.3	Very high	86.7	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	151	168.8	0	0	0	0	0	110.7	R109 V110 I115 I146 W148	R109-A138 WeakPolarHBondContact CA-O 3.42Å; V110-A138 PolarHBondContact N-O 2.91Å; V110-A138 PolarHBondContact O-N 2.88Å; I115-A138 HydrophobicContact CD1-CB 3.7Å; A138-I146 HydrophobicContact CB-CG2 4.01Å; A138-W148 HydrophobicContact CB-CB 4.09Å; A138-W148 HydrophobicContact CB-CG 4.28Å
139	I	97.2	Very high	87.9	Confident	67 Å²	67	62.5 Å²	62.5	34%	0.344	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.5	174.6	-57.4	173.8	0	0	0	107.4	R109 I146 T147	R109-I139 HydrophobicContact CG-CG1 4.47Å; I139-I146 WeakPolarHBondContact O-CA 3.17Å; I139-T147 PolarHBondContact N-O 3.08Å; I139-T147 PolarHBondContact O-N 2.66Å
140	V	97.3	Very high	88.9	Confident	1 Å²	1	53 Å²	53	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128	176.4	-172.5	0	0	0	0	108	L95 W97 S107 I108 V110 I146	L95-V140 HydrophobicContact CB-CG1 4.03Å; W97-V140 HydrophobicContact CH2-CG1 4.33Å; W97-V140 WeakPolarHBondContact CH2-O 3.38Å; W97-V140 HydrophobicContact CZ3-CG1 3.91Å; S107-V140 CarbonylContact C-O 3.55Å; S107-V140 WeakPolarHBondContact CA-O 3.49Å; I108-V140 HydrophobicContact CG1-CB 3.92Å; I108-V140 PolarHBondContact N-O 3.39Å; I108-V140 PolarHBondContact O-N 2.95Å; V110-V140 HydrophobicContact CB-CG2 4.39Å; V110-V140 HydrophobicContact CG2-CG2 4.04Å; V140-I146 HydrophobicContact CB-CG1 4.47Å; V140-I146 HydrophobicContact CG1-CG1 4.08Å; V140-I146 HydrophobicContact CG2-CG1 4.14Å
141	K	97.4	Very high	90.1	Very high	98 Å²	98	50.7 Å²	50.7	43%	0.426	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	157	174.3	-68.2	179.6	-179.3	173.2	0	111	W97 T106 N143 G144 A145	W97-K141 WeakPolarHBondContact CZ3-O 3.49Å; T106-K141 CarbonylContact O-C 3.58Å; T106-K141 WeakPolarHBondContact O-CA 3.28Å; K141-N143 VanDerWaalsContact CB-OD1 3.29Å; K141-N143 WeakPolarHBondContact CB-OD1 3.41Å; K141-N143 PolarHBondContact O-N 3.32Å; K141-N143 VanDerWaalsContact O-N 3.09Å; K141-G144 WeakPolarHBondContact O-CA 3.41Å; K141-G144 PolarHBondContact O-N 2.8Å; K141-A145 HydrophobicContact CB-CB 4.41Å; K141-A145 PolarHBondContact N-O 2.61Å
142	H	96.4	Very high	91.3	Very high	71 Å²	71	42.6 Å²	42.6	33%	0.329	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.4	-176.5	72.5	92.7	0	0	0	114.5	R96 W97 P99 T106 G144	R96-H142 WeakPolarHBondContact CA-O 3.45Å; W97-H142 HydrophobicContact CD2-CB 4Å; W97-H142 HydrophobicContact CG-CB 4.46Å; W97-H142 HydrophobicContact CH2-CB 4.28Å; W97-H142 VanDerWaalsContact CH2-N 3.32Å; W97-H142 VanDerWaalsContact CZ2-CA 3.46Å; W97-H142 HydrophobicContact CZ2-CB 3.71Å; W97-H142 PolarHBondContact N-O 2.7Å; W97-H142 VanDerWaalsContact N-O 3.17Å; P99-H142 HydrophobicContact CG-CB 3.88Å; T106-H142 PolarHBondContact O-N 2.95Å; H142-G144 PolarHBondContact O-N 2.94Å
143	N	95.8	Very high	92.9	Very high	79 Å²	79	43.9 Å²	43.9	42%	0.422	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1.6	175.2	66.8	-6.4	0	0	0	113.8	R96 K141 A145	R96-N143 PolarHBondContact NE-O 2.9Å; K141-N143 VanDerWaalsContact CB-OD1 3.29Å; K141-N143 WeakPolarHBondContact CB-OD1 3.41Å; K141-N143 PolarHBondContact O-N 3.32Å; K141-N143 VanDerWaalsContact O-N 3.09Å; N143-A145 VanDerWaalsContact C-N 3.33Å; N143-A145 WeakPolarHBondContact OD1-CB 3.42Å; N143-A145 PolarHBondContact OD1-N 3.49Å
144	G	94.9	Very high	93.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	82.8	5.4	-177.7	0	0	0	0	0	113.9	I91 D92 K141 H142 I146	I91-G144 CarbonylContact C-O 3.58Å; I91-G144 WeakPolarHBondContact CA-O 3.41Å; D92-G144 PolarHBondContact N-O 2.78Å; D92-G144 WeakPolarHBondContact O-CA 3.49Å; K141-G144 WeakPolarHBondContact O-CA 3.41Å; K141-G144 PolarHBondContact O-N 2.8Å; H142-G144 PolarHBondContact O-N 2.94Å; G144-I146 PolarHBondContact O-N 2.92Å
145	A	97.2	Very high	94.5	Very high	22 Å²	22	40.9 Å²	40.9	18%	0.182	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	127.8	172.5	0	0	0	0	0	109.8	K141 N143	K141-A145 HydrophobicContact CB-CB 4.41Å; K141-A145 PolarHBondContact N-O 2.61Å; N143-A145 VanDerWaalsContact C-N 3.33Å; N143-A145 WeakPolarHBondContact OD1-CB 3.42Å; N143-A145 PolarHBondContact OD1-N 3.49Å
146	I	97.7	Very high	94.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.5	-179.4	-59	173	0	0	0	107.5	E89 W90 D92 L95 I115 A138 I139 V140 G144	E89-I146 VanDerWaalsContact CA-O 3.25Å; E89-I146 WeakPolarHBondContact CA-O 3.33Å; W90-I146 HydrophobicContact CD2-CB 4.18Å; W90-I146 HydrophobicContact CD2-CG2 4.42Å; W90-I146 HydrophobicContact CH2-CB 4.44Å; W90-I146 HydrophobicContact CH2-CG2 3.65Å; W90-I146 HydrophobicContact CZ2-CB 4.04Å; W90-I146 HydrophobicContact CZ2-CD1 4.17Å; W90-I146 HydrophobicContact CZ2-CG2 3.5Å; W90-I146 VanDerWaalsContact CZ2-CG2 3.5Å; W90-I146 HydrophobicContact CZ3-CG2 4.17Å; W90-I146 PolarHBondContact N-O 3.48Å; W90-I146 VanDerWaalsContact N-O 3.14Å; W90-I146 PolarHBondContact O-N 2.94Å; D92-I146 HydrophobicContact CB-CD1 3.59Å; L95-I146 HydrophobicContact CD1-CD1 3.82Å; I115-I146 HydrophobicContact CD1-CD1 4.34Å; I115-I146 HydrophobicContact CD1-CG2 3.95Å; A138-I146 HydrophobicContact CB-CG2 4.01Å; I139-I146 WeakPolarHBondContact O-CA 3.17Å; V140-I146 HydrophobicContact CB-CG1 4.47Å; V140-I146 HydrophobicContact CG1-CG1 4.08Å; V140-I146 HydrophobicContact CG2-CG1 4.14Å; G144-I146 PolarHBondContact O-N 2.92Å
147	T	97.1	Very high	94.9	Very high	23 Å²	23	37.4 Å²	37.4	14%	0.141	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122	171	-54.7	0	0	0	0	108.1	T87 Q88 E89 I139 T149	T87-T147 HydrophobicContact CG2-CG2 4.46Å; Q88-T147 WeakPolarHBondContact O-CA 3.39Å; E89-T147 HydrophobicContact CG-CG2 3.93Å; E89-T147 PolarHBondContact OE1-OG1 2.93Å; I139-T147 PolarHBondContact N-O 3.08Å; I139-T147 PolarHBondContact O-N 2.66Å; T147-T149 HydrophobicContact CG2-CG2 4.16Å
148	W	96.1	Very high	94.8	Very high	11 Å²	11	31.4 Å²	31.4	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.1	176	-176.2	48	0	0	0	109.7	Q88 W90 L117 M135 T136 A138 P150	Q88-W148 HydrophobicContact CG-CE3 4.47Å; Q88-W148 PolarHBondContact N-O 2.66Å; Q88-W148 PolarHBondContact O-N 2.76Å; W90-W148 HydrophobicContact CH2-CB 3.78Å; W90-W148 HydrophobicContact CZ3-CB 3.8Å; L117-W148 HydrophobicContact CD1-CH2 4.24Å; L117-W148 HydrophobicContact CD1-CZ2 4.48Å; L117-W148 HydrophobicContact CD1-CZ3 4.43Å; L117-W148 HydrophobicContact CD2-CD2 4.15Å; L117-W148 HydrophobicContact CD2-CE3 3.97Å; L117-W148 HydrophobicContact CD2-CZ3 4.27Å; M135-W148 HydrophobicContact SD-CH2 4.3Å; M135-W148 HydrophobicContact SD-CZ2 3.94Å; T136-W148 PolarHBondContact O-NE1 3.22Å; T136-W148 PolarHBondContact OG1-NE1 2.99Å; A138-W148 HydrophobicContact CB-CB 4.09Å; A138-W148 HydrophobicContact CB-CG 4.28Å; W148-P150 HydrophobicContact CD2-CG 3.95Å; W148-P150 HydrophobicContact CE3-CG 4.13Å; W148-P150 HydrophobicContact CH2-CB 4.39Å; W148-P150 HydrophobicContact CH2-CG 3.85Å; W148-P150 HydrophobicContact CZ2-CB 3.78Å; W148-P150 HydrophobicContact CZ2-CG 3.63Å; W148-P150 HydrophobicContact CZ3-CG 4.09Å
149	T	94.6	Very high	94.4	Very high	57 Å²	57	36.3 Å²	36.3	35%	0.35	21%	0.206	S	C	.	.			trans	-127.1	67.6	-174.7	54.4	0	0	0	0	111.6	L86 T87 T147	L86-T149 VanDerWaalsContact O-CA 3.27Å; L86-T149 WeakPolarHBondContact O-CA 3.41Å; T87-T149 HydrophobicContact CG2-CG2 3.85Å; T147-T149 HydrophobicContact CG2-CG2 4.16Å
150	P	94.6	Very high	94	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.			trans	-70.1	140.6	177.5	29.7	-37.3	0	0	0	111.5	L86 L134 W148	L86-P150 HydrophobicContact CB-CG 4.38Å; L86-P150 PolarHBondContact N-O 3.1Å; L86-P150 VanDerWaalsContact N-O 3.11Å; L86-P150 VanDerWaalsContact O-CD 3.27Å; L86-P150 WeakPolarHBondContact O-CD 3.45Å; L134-P150 WeakPolarHBondContact O-CB 3.44Å; W148-P150 HydrophobicContact CD2-CG 3.95Å; W148-P150 HydrophobicContact CE3-CG 4.13Å; W148-P150 HydrophobicContact CH2-CB 4.39Å; W148-P150 HydrophobicContact CH2-CG 3.85Å; W148-P150 HydrophobicContact CZ2-CB 3.78Å; W148-P150 HydrophobicContact CZ2-CG 3.63Å; W148-P150 HydrophobicContact CZ3-CG 4.09Å
151	P	93.7	Very high	93.5	Very high	34 Å²	34	38.1 Å²	38.1	22%	0.221	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	141.2	163.1	31	-29.8	0	0	0	109.9	W85 L134 T136	W85-P151 HydrophobicContact CD2-CB 4.19Å; W85-P151 HydrophobicContact CE3-CB 3.76Å; W85-P151 HydrophobicContact CE3-CG 4.31Å; W85-P151 HydrophobicContact CH2-CB 3.94Å; W85-P151 HydrophobicContact CH2-CG 4.23Å; W85-P151 HydrophobicContact CZ2-CB 4.33Å; W85-P151 HydrophobicContact CZ3-CB 3.64Å; W85-P151 HydrophobicContact CZ3-CG 3.81Å; L134-P151 HydrophobicContact CB-CG 4.17Å; L134-P151 HydrophobicContact CD2-CG 4.32Å; L134-P151 PolarHBondContact N-O 2.58Å; T136-P151 HydrophobicContact CG2-CG 4.43Å
152	A	91.4	Very high	93.1	Very high	8 Å²	8	33.6 Å²	33.6	7%	0.066	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144.6	176.4	0	0	0	0	0	110.6	V84 Y154	V84-A152 HydrophobicContact CG2-CB 4.49Å; V84-A152 PolarHBondContact N-O 3.08Å; V84-A152 PolarHBondContact O-N 3.17Å; A152-Y154 HydrophobicContact CB-CD2 4.02Å; A152-Y154 HydrophobicContact CB-CE2 3.44Å; A152-Y154 VanDerWaalsContact CB-CE2 3.44Å
153	S	91.4	Very high	92.6	Very high	61 Å²	61	32 Å²	32	43%	0.427	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	114.5	167.5	-164.7	0	0	0	0	107.7	T82 N83	T82-S153 WeakPolarHBondContact O-CA 3.46Å; N83-S153 VanDerWaalsContact OD1-CB 3.3Å; N83-S153 WeakPolarHBondContact OD1-CB 3.4Å; N83-S153 PolarHBondContact OD1-OG 2.76Å
154	Y	92.4	Very high	92.3	Very high	5 Å²	5	31 Å²	31	2%	0.02	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.1	-178.4	-75	-64.2	0	0	0	110.8	T81 T82 V84 L86 L122 A152 M174 F176	T81-Y154 WeakPolarHBondContact CA-O 3.11Å; T82-Y154 PolarHBondContact N-O 2.88Å; T82-Y154 PolarHBondContact O-N 2.56Å; V84-Y154 HydrophobicContact CG2-CD2 3.55Å; V84-Y154 HydrophobicContact CG2-CE2 3.77Å; L86-Y154 HydrophobicContact CD1-CE2 3.83Å; L86-Y154 WeakPolarHBondContact CD1-OH 3.39Å; L86-Y154 HydrophobicContact CD2-CE2 4.31Å; L86-Y154 HydrophobicContact CG-CE2 4.24Å; L122-Y154 HydrophobicContact CB-CD1 4.09Å; L122-Y154 HydrophobicContact CB-CE1 4.05Å; L122-Y154 HydrophobicContact CD2-CD1 3.69Å; L122-Y154 HydrophobicContact CD2-CE1 4.49Å; L122-Y154 HydrophobicContact CD2-CG 3.96Å; A152-Y154 HydrophobicContact CB-CD2 4.02Å; A152-Y154 HydrophobicContact CB-CE2 3.44Å; A152-Y154 VanDerWaalsContact CB-CE2 3.44Å; Y154-M174 HydrophobicContact CD2-CE 3.9Å; Y154-M174 HydrophobicContact CG-CE 3.95Å; Y154-F176 HydrophobicContact CD2-CE1 4.3Å; Y154-F176 HydrophobicContact CD2-CZ 4.11Å; Y154-F176 HydrophobicContact CE1-CE1 4.48Å; Y154-F176 AromaticContact CE2-CE1 3.74Å; Y154-F176 HydrophobicContact CE2-CE1 3.74Å; Y154-F176 AromaticContact CE2-CZ 3.93Å; Y154-F176 HydrophobicContact CE2-CZ 3.93Å; Y154-F176 AromaticContact CZ-CE1 3.86Å
155	K	92.6	Very high	91.9	Very high	69 Å²	69	31.7 Å²	31.7	30%	0.3	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	92.8	165.4	-60.1	-162.1	-154.2	146.6	0	109.5	M80 T81 N125 A126 D127	M80-K155 CarbonylContact O-C 3.37Å; M80-K155 WeakPolarHBondContact O-CA 3.35Å; T81-K155 HydrophobicContact CG2-CG 4.07Å; N125-K155 PolarHBondContact OD1-O 3.49Å; N125-K155 VanDerWaalsContact OD1-O 3.11Å; A126-K155 PolarHBondContact N-O 3.04Å; D127-K155 HydrophobicContact CB-CB 4.43Å; D127-K155 VanDerWaalsContact CG-CD 3.47Å; D127-K155 VanDerWaalsContact OD1-CD 3.26Å; D127-K155 WeakPolarHBondContact OD1-CD 3.38Å; D127-K155 WeakPolarHBondContact OD1-CE 3.45Å; D127-K155 IonicContact OD1-NZ 3.61Å; D127-K155 PolarHBondContact OD1-NZ 3.44Å; D127-K155 VanDerWaalsContact OD2-CD 3.26Å; D127-K155 WeakPolarHBondContact OD2-CD 3.32Å; D127-K155 WeakPolarHBondContact OD2-CE 3.45Å; D127-K155 VanDerWaalsContact OD2-CG 3.3Å; D127-K155 WeakPolarHBondContact OD2-CG 3.25Å; D127-K155 IonicContact OD2-NZ 2.73Å; D127-K155 PolarHBondContact OD2-NZ 3.4Å
156	S	92.9	Very high	91.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	135.6	177.6	53.5	0	0	0	0	110.7	M80 E124 C158	M80-S156 VanDerWaalsContact CE-OG 3.28Å; M80-S156 WeakPolarHBondContact CE-OG 3.48Å; M80-S156 PolarHBondContact N-O 2.88Å; M80-S156 PolarHBondContact O-N 3.36Å; M80-S156 PolarHBondContact O-OG 2.82Å; E124-S156 WeakPolarHBondContact O-CA 3.41Å; S156-C158 PolarHBondContact O-N 2.84Å
157	A	92	Very high	91.1	Very high	43 Å²	43	32.2 Å²	32.2	36%	0.355	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	128.6	168	0	0	0	0	0	109.6	E124	E124-A157 PolarHBondContact O-N 3.1Å
158	C	91.4	Very high	90.7	Very high	10 Å²	10	31.2 Å²	31.2	7%	0.068	18%	0.179	C	C	.	.			trans	-140.6	124.2	178.7	174	0	0	0	0	109.6	Q78 M80 S156 M160 C172	Q78-C158 CarbonylContact C-O 3.5Å; Q78-C158 WeakPolarHBondContact CB-O 3.35Å; Q78-C158 PolarHBondContact O-N 3.46Å; Q78-C158 VanDerWaalsContact O-O 3.12Å; M80-C158 HydrophobicContact CB-CB 4.5Å; S156-C158 PolarHBondContact O-N 2.84Å; C158-M160 HydrophobicContact CB-CE 3.78Å; C158-M160 PolarHBondContact O-N 3.17Å; C158-C172 HydrophobicContact CB-CB 3.74Å; C158-C172 WeakPolarHBondContact CB-SG 3.19Å; C158-C172 WeakPolarHBondContact SG-CA 3.35Å; C158-C172 WeakPolarHBondContact SG-CB 3.29Å; C158-C172 CovalentContact SG-SG 2.04Å; C158-C172 PolarHBondContact SG-SG 2.77Å
159	T	88.5	Confident	90.4	Very high	103 Å²	103	33.7 Å²	33.7	63%	0.632	19%	0.189	S	C	*	.			trans	-73.7	115.6	176.6	55.2	0	0	0	0	110
160	M	88	Confident	90.4	Very high	24 Å²	24	31.1 Å²	31.1	12%	0.118	17%	0.173	C	C	.	.			trans	-90	140	179.7	-55	-58.5	175.9	0	0	111.7	V73 E75 C158 Q170	V73-M160 HydrophobicContact CG1-CE 3.37Å; V73-M160 HydrophobicContact CG1-SD 4.13Å; E75-M160 HydrophobicContact CB-CG 4.46Å; C158-M160 HydrophobicContact CB-CE 3.78Å; C158-M160 PolarHBondContact O-N 3.17Å; M160-Q170 HydrophobicContact SD-CB 4.06Å; M160-Q170 HydrophobicContact SD-CG 3.85Å
161	D	87.6	Confident	90.3	Very high	82 Å²	82	36.1 Å²	36.1	44%	0.439	20%	0.2	S	C	.	.			trans	-105.3	106.3	170.1	-175.8	-1	0	0	0	110	T163 Q170	D161-T163 VanDerWaalsContact OD1-CB 3.27Å; D161-T163 WeakPolarHBondContact OD1-CB 3.43Å; D161-T163 PolarHBondContact OD1-N 3.26Å; D161-T163 PolarHBondContact OD1-OG1 2.96Å; D161-Q170 PolarHBondContact O-NE2 2.85Å
162	V	87.9	Confident	90.3	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.024	19%	0.189	C	C	.	.			trans	-94.9	10.5	-176.8	-64.8	0	0	0	0	113.4	F164 F165 I291 P292 P299	V162-F164 PolarHBondContact O-N 3.3Å; V162-F164 VanDerWaalsContact O-N 3.13Å; V162-F165 WeakPolarHBondContact O-CB 3.28Å; V162-F165 PolarHBondContact O-N 3.13Å; V162-I291 HydrophobicContact CG2-CG2 4.28Å; V162-P292 HydrophobicContact CG1-CG 3.96Å; V162-P292 HydrophobicContact CG2-CG 4.34Å; V162-P299 HydrophobicContact CG2-CG 3.96Å
163	T	87.6	Confident	90.4	Very high	36 Å²	36	35.6 Å²	35.6	22%	0.221	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-42	-176.1	-60.3	0	0	0	0	112.5	D161 L300	D161-T163 VanDerWaalsContact OD1-CB 3.27Å; D161-T163 WeakPolarHBondContact OD1-CB 3.43Å; D161-T163 PolarHBondContact OD1-N 3.26Å; D161-T163 PolarHBondContact OD1-OG1 2.96Å; T163-L300 WeakPolarHBondContact O-CB 3.49Å; T163-L300 PolarHBondContact O-N 3.47Å
164	F	88	Confident	90.6	Very high	60 Å²	60	32.7 Å²	32.7	26%	0.263	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	22.2	-174.9	-62.8	-76.2	0	0	0	114.2	V162 F167 P464 A465 M468	V162-F164 PolarHBondContact O-N 3.3Å; V162-F164 VanDerWaalsContact O-N 3.13Å; F164-F167 CarbonylContact O-C 3.55Å; F164-F167 WeakPolarHBondContact O-CA 3.33Å; F164-F167 PolarHBondContact O-N 3.43Å; F164-P464 HydrophobicContact CE1-CB 4.12Å; F164-A465 HydrophobicContact CD1-CB 4.04Å; F164-M468 HydrophobicContact CB-CE 3.17Å; F164-M468 HydrophobicContact CD1-CE 4.21Å; F164-M468 HydrophobicContact CD2-CE 3.2Å; F164-M468 HydrophobicContact CE2-CE 4.06Å; F164-M468 HydrophobicContact CG-CE 3.27Å
165	F	87.1	Confident	90.7	Very high	14 Å²	14	35.4 Å²	35.4	6%	0.061	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	136.4	177.6	-178.7	-88.5	0	0	0	112.1	V162 Y241 L245 I301	V162-F165 WeakPolarHBondContact O-CB 3.28Å; V162-F165 PolarHBondContact O-N 3.13Å; F165-Y241 HydrophobicContact CE1-CD1 4.08Å; F165-Y241 HydrophobicContact CE1-CG 4.36Å; F165-Y241 HydrophobicContact CE2-CE1 4.42Å; F165-Y241 AromaticContact CZ-CD1 3.55Å; F165-Y241 HydrophobicContact CZ-CD1 3.55Å; F165-Y241 HydrophobicContact CZ-CD2 4.37Å; F165-Y241 AromaticContact CZ-CE1 3.65Å; F165-Y241 HydrophobicContact CZ-CE1 3.65Å; F165-Y241 HydrophobicContact CZ-CE2 4.48Å; F165-Y241 AromaticContact CZ-CG 3.92Å; F165-Y241 HydrophobicContact CZ-CG 3.92Å; F165-L245 HydrophobicContact CE1-CD1 4.17Å; F165-I301 HydrophobicContact CD1-CG2 4.15Å
166	P	89	Confident	90.8	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.032	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.5	12.5	-0.4	38.7	-37.8	0	0	0	113.9	D168 P238 Y241 I246	P166-D168 VanDerWaalsContact C-OD1 3.25Å; P166-D168 PolarHBondContact O-N 3.03Å; P166-P238 HydrophobicContact CB-CB 4.31Å; P166-P238 HydrophobicContact CG-CB 4.1Å; P166-Y241 HydrophobicContact CB-CD2 3.98Å; P166-Y241 HydrophobicContact CB-CG 3.95Å; P166-I246 HydrophobicContact CG-CD1 4.2Å
167	F	88.9	Confident	90.8	Very high	27 Å²	27	32.1 Å²	32.1	12%	0.118	17%	0.173	C	C	.	.	S	Bend	trans	-93.4	40.6	-179.9	-56.8	-71	0	0	0	111.4	F164 P238 I246 A465 M468 F469	F164-F167 CarbonylContact O-C 3.55Å; F164-F167 WeakPolarHBondContact O-CA 3.33Å; F164-F167 PolarHBondContact O-N 3.43Å; F167-P238 HydrophobicContact CD1-CB 3.73Å; F167-P238 HydrophobicContact CD1-CG 3.8Å; F167-P238 HydrophobicContact CE1-CB 3.6Å; F167-P238 HydrophobicContact CE1-CG 3.65Å; F167-P238 HydrophobicContact CZ-CB 4.43Å; F167-I246 HydrophobicContact CE2-CD1 3.93Å; F167-I246 HydrophobicContact CZ-CD1 4.17Å; F167-A465 HydrophobicContact CD2-CB 4.15Å; F167-M468 WeakPolarHBondContact O-CE 3.25Å; F167-F469 HydrophobicContact CB-CB 4.07Å; F167-F469 HydrophobicContact CB-CD2 3.91Å; F167-F469 HydrophobicContact CB-CG 4.28Å; F167-F469 HydrophobicContact CD1-CB 4.28Å; F167-F469 HydrophobicContact CD1-CD1 4.39Å; F167-F469 AromaticContact CD1-CD2 3.64Å; F167-F469 HydrophobicContact CD1-CD2 3.64Å; F167-F469 HydrophobicContact CD1-CE2 4Å; F167-F469 AromaticContact CD1-CG 3.85Å; F167-F469 HydrophobicContact CD1-CG 3.85Å; F167-F469 HydrophobicContact CG-CB 4.41Å; F167-F469 HydrophobicContact CG-CD2 4.23Å; F167-F469 HydrophobicContact CG-CG 4.41Å
168	D	89.3	Confident	90.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.011	16%	0.159	C	C	.	.			trans	-96.2	160.1	-169.9	58.8	-52.2	0	0	0	113.4	P166 Q170 R236	P166-D168 VanDerWaalsContact C-OD1 3.25Å; P166-D168 PolarHBondContact O-N 3.03Å; D168-Q170 PolarHBondContact OD2-NE2 3.36Å; D168-R236 PolarHBondContact O-N 3.07Å; D168-R236 IonicContact OD1-CZ 3.26Å; D168-R236 IonicContact OD1-NE 3.88Å; D168-R236 PolarHBondContact OD1-NE 3.34Å; D168-R236 IonicContact OD1-NH2 2.72Å; D168-R236 IonicContact OD2-CZ 3.77Å; D168-R236 IonicContact OD2-NE 3.72Å; D168-R236 IonicContact OD2-NH2 3.55Å; D168-R236 PolarHBondContact OD2-NH2 2.71Å; D168-R236 VanDerWaalsContact OD2-NH2 3.11Å
169	R	90.4	Very high	90.9	Very high	63 Å²	63	37.3 Å²	37.3	24%	0.238	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.8	168.8	-66.2	-178	-176.2	161	7.2	108.4	L234 K235 K471	R169-L234 CarbonylContact C-O 3.45Å; R169-L234 VanDerWaalsContact CA-O 3.22Å; R169-L234 WeakPolarHBondContact CA-O 3.21Å; R169-K235 HydrophobicContact CG-CB 4.46Å; R169-K235 HydrophobicContact CG-CG 4.49Å; R169-K471 PolarHBondContact NH1-O 2.93Å; R169-K471 VanDerWaalsContact NH1-O 3.13Å; R169-K471 PolarHBondContact NH2-O 3.04Å
170	Q	92.6	Very high	91	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.019	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.8	179.2	-55.9	-55.7	-25.5	0	0	109.8	M160 D161 D168 W206 I233 L234	M160-Q170 HydrophobicContact SD-CB 4.06Å; M160-Q170 HydrophobicContact SD-CG 3.85Å; D161-Q170 PolarHBondContact O-NE2 2.85Å; D168-Q170 PolarHBondContact OD2-NE2 3.36Å; Q170-W206 HydrophobicContact CG-CH2 3.73Å; Q170-W206 HydrophobicContact CG-CZ3 3.91Å; Q170-I233 WeakPolarHBondContact O-CA 3.36Å; Q170-L234 HydrophobicContact CB-CB 4.41Å; Q170-L234 PolarHBondContact N-O 3.13Å; Q170-L234 PolarHBondContact O-N 3.45Å
171	N	93.2	Very high	91.2	Very high	105 Å²	105	37.9 Å²	37.9	56%	0.561	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	95.8	175.3	-176.9	9.9	0	0	0	108.6	F232	N171-F232 WeakPolarHBondContact CA-O 3.25Å
172	C	94.4	Very high	91.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.5	-178.4	-66.9	0	0	0	0	111	M80 C158 F232	M80-C172 HydrophobicContact CE-CB 4.21Å; M80-C172 HydrophobicContact SD-CB 3.65Å; C158-C172 HydrophobicContact CB-CB 3.74Å; C158-C172 WeakPolarHBondContact CB-SG 3.19Å; C158-C172 WeakPolarHBondContact SG-CA 3.35Å; C158-C172 WeakPolarHBondContact SG-CB 3.29Å; C158-C172 CovalentContact SG-SG 2.04Å; C158-C172 PolarHBondContact SG-SG 2.77Å; C172-F232 PolarHBondContact N-O 2.9Å; C172-F232 PolarHBondContact O-N 3.29Å
173	S	94.1	Very high	91.6	Very high	31 Å²	31	35.1 Å²	35.1	22%	0.217	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.6	179.4	65.1	0	0	0	0	111.9	Y230	S173-Y230 CarbonylContact C-O 3.59Å; S173-Y230 VanDerWaalsContact CA-O 3.3Å; S173-Y230 WeakPolarHBondContact CA-O 3.4Å
174	M	94	Very high	91.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.2	170.3	-61.4	-179.9	78	0	0	109.3	M80 L122 Y154 F176 T229 Y230 F232	M80-M174 HydrophobicContact CE-CG 3.74Å; M80-M174 HydrophobicContact CE-SD 3.76Å; L122-M174 HydrophobicContact CD1-CB 3.91Å; L122-M174 HydrophobicContact CD1-CE 4.36Å; L122-M174 HydrophobicContact CD2-CE 4.14Å; Y154-M174 HydrophobicContact CD2-CE 3.9Å; Y154-M174 HydrophobicContact CG-CE 3.95Å; M174-F176 HydrophobicContact CB-CD2 4.42Å; M174-F176 HydrophobicContact CB-CE2 3.77Å; M174-F176 HydrophobicContact CB-CZ 4.46Å; M174-F176 HydrophobicContact CE-CE2 4.14Å; M174-F176 HydrophobicContact CE-CZ 3.76Å; M174-T229 CarbonylContact O-C 3.52Å; M174-T229 WeakPolarHBondContact O-CA 3.34Å; M174-Y230 PolarHBondContact N-O 3.1Å; M174-Y230 PolarHBondContact O-N 2.8Å; M174-F232 HydrophobicContact CG-CD2 4.46Å; M174-F232 HydrophobicContact CG-CE2 4.02Å; M174-F232 HydrophobicContact SD-CD2 4.49Å; M174-F232 HydrophobicContact SD-CE2 3.68Å; M174-F232 HydrophobicContact SD-CZ 4.31Å
175	K	94.1	Very high	92	Very high	61 Å²	61	39.2 Å²	39.2	27%	0.265	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	111.6	-178.1	-62.1	-179.3	-172.8	149	0	111.1	L122 Y123 E124 T229	L122-K175 WeakPolarHBondContact CA-O 3.21Å; Y123-K175 HydrophobicContact CD2-CB 4.37Å; Y123-K175 PolarHBondContact N-O 2.84Å; E124-K175 IonicContact OE1-NZ 2.66Å; E124-K175 PolarHBondContact OE1-NZ 2.96Å; E124-K175 IonicContact OE2-NZ 3.82Å; K175-T229 HydrophobicContact CG-CG2 3.97Å
176	F	95.1	Very high	92.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134	177	-67	-83.9	0	0	0	111	F63 L65 L86 I120 V121 L122 Y154 M174 F227 I228 Y230	F63-F176 HydrophobicContact CE1-CB 3.63Å; F63-F176 HydrophobicContact CE1-CD1 4.41Å; F63-F176 AromaticContact CE1-CD2 3.83Å; F63-F176 HydrophobicContact CE1-CD2 3.83Å; F63-F176 AromaticContact CE1-CG 3.7Å; F63-F176 HydrophobicContact CE1-CG 3.7Å; F63-F176 HydrophobicContact CZ-CB 3.77Å; F63-F176 AromaticContact CZ-CD1 3.84Å; F63-F176 HydrophobicContact CZ-CD1 3.84Å; F63-F176 HydrophobicContact CZ-CD2 4.03Å; F63-F176 HydrophobicContact CZ-CE1 4.42Å; F63-F176 AromaticContact CZ-CG 3.6Å; F63-F176 HydrophobicContact CZ-CG 3.6Å; L65-F176 HydrophobicContact CD1-CD2 4.47Å; L65-F176 HydrophobicContact CD1-CE2 3.53Å; L65-F176 HydrophobicContact CD1-CZ 3.95Å; L86-F176 HydrophobicContact CD1-CE1 4.25Å; L86-F176 HydrophobicContact CD2-CE1 4.19Å; L86-F176 HydrophobicContact CD2-CZ 4.11Å; I120-F176 HydrophobicContact CG2-CB 4.04Å; I120-F176 HydrophobicContact CG2-CD1 4.35Å; V121-F176 WeakPolarHBondContact O-CA 3.18Å; L122-F176 HydrophobicContact CB-CD1 4.33Å; L122-F176 HydrophobicContact CB-CE1 4.03Å; L122-F176 HydrophobicContact CD1-CE1 4.38Å; L122-F176 HydrophobicContact CD1-CE2 4.44Å; L122-F176 HydrophobicContact CD1-CZ 4.27Å; Y154-F176 HydrophobicContact CD2-CE1 4.3Å; Y154-F176 HydrophobicContact CD2-CZ 4.11Å; Y154-F176 HydrophobicContact CE1-CE1 4.48Å; Y154-F176 AromaticContact CE2-CE1 3.74Å; Y154-F176 HydrophobicContact CE2-CE1 3.74Å; Y154-F176 AromaticContact CE2-CZ 3.93Å; Y154-F176 HydrophobicContact CE2-CZ 3.93Å; Y154-F176 AromaticContact CZ-CE1 3.86Å; M174-F176 HydrophobicContact CB-CD2 4.42Å; M174-F176 HydrophobicContact CB-CE2 3.77Å; M174-F176 HydrophobicContact CB-CZ 4.46Å; M174-F176 HydrophobicContact CE-CE2 4.14Å; M174-F176 HydrophobicContact CE-CZ 3.76Å; F176-F227 CarbonylContact O-C 3.59Å; F176-F227 VanDerWaalsContact O-CA 3.24Å; F176-F227 WeakPolarHBondContact O-CA 3.25Å; F176-F227 WeakPolarHBondContact O-CB 3.38Å; F176-I228 PolarHBondContact N-O 3.42Å; F176-I228 PolarHBondContact O-N 3.35Å; F176-Y230 HydrophobicContact CD2-CD2 4.05Å; F176-Y230 HydrophobicContact CD2-CE2 4.49Å; F176-Y230 HydrophobicContact CE2-CD2 4.21Å
177	G	94.3	Very high	92.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	164	177.4	0	0	0	0	0	111.2	I120 V121	I120-G177 WeakPolarHBondContact CA-O 3.32Å; V121-G177 PolarHBondContact N-O 3.11Å; V121-G177 PolarHBondContact O-N 2.79Å; V121-G177 VanDerWaalsContact O-N 3.08Å
178	S	93.7	Very high	93	Very high	6 Å²	6	39 Å²	39	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	143	167.1	174.2	0	0	0	0	109.5	D119 Y123 Y181	D119-S178 WeakPolarHBondContact O-CA 3.29Å; D119-S178 WeakPolarHBondContact OD1-CB 3.27Å; D119-S178 PolarHBondContact OD1-OG 3.32Å; Y123-S178 PolarHBondContact OH-O 2.88Å; S178-Y181 WeakPolarHBondContact OG-CB 3.24Å; S178-Y181 PolarHBondContact OG-N 3.12Å
179	W	90.4	Very high	93.3	Very high	157 Å²	157	41.2 Å²	41.2	60%	0.595	21%	0.208	S	C	*	.	S	Bend	trans	-83.4	-42.3	176	-170.2	-107.5	0	0	0	112.3	D119 V121 Y123	D119-W179 PolarHBondContact O-N 3.37Å; D119-W179 VanDerWaalsContact O-N 3.15Å; D119-W179 PolarHBondContact OD2-N 2.77Å; V121-W179 HydrophobicContact CG2-CB 3.91Å; V121-W179 HydrophobicContact CG2-CD2 4.3Å; V121-W179 HydrophobicContact CG2-CE3 3.68Å; V121-W179 HydrophobicContact CG2-CG 4.44Å; Y123-W179 HydrophobicContact CD1-CE3 4.12Å; Y123-W179 HydrophobicContact CD1-CZ3 4.15Å; Y123-W179 HydrophobicContact CE1-CE3 4.05Å; Y123-W179 HydrophobicContact CE1-CZ3 4.44Å
180	T	91.4	Very high	93.5	Very high	94 Å²	94	39.5 Å²	39.5	58%	0.577	20%	0.203	S	C	*	.	S	Bend	trans	-107.6	-30.6	-171	63	0	0	0	0	114.3	D119	D119-T180 VanDerWaalsContact OD2-CB 3.27Å; D119-T180 WeakPolarHBondContact OD2-CB 3.27Å; D119-T180 WeakPolarHBondContact OD2-CG2 3.25Å; D119-T180 PolarHBondContact OD2-N 3.38Å; D119-T180 PolarHBondContact OD2-OG1 3.35Å
181	Y	92.7	Very high	93.6	Very high	44 Å²	44	41 Å²	41	17%	0.173	21%	0.211	C	C	.	.			trans	-89	142.6	-176	-59.1	-69.3	0	0	0	112	R50 W116 D119 S178 M185 V186	R50-Y181 VanDerWaalsContact CD-CE1 3.4Å; R50-Y181 HydrophobicContact CG-CE1 3.84Å; W116-Y181 HydrophobicContact CZ2-CE2 4.13Å; W116-Y181 PolarHBondContact NE1-OH 2.76Å; D119-Y181 WeakPolarHBondContact OD1-CD2 3.49Å; S178-Y181 WeakPolarHBondContact OG-CB 3.24Å; S178-Y181 PolarHBondContact OG-N 3.12Å; Y181-M185 HydrophobicContact CD1-CB 4.01Å; Y181-M185 HydrophobicContact CD1-SD 3.85Å; Y181-M185 HydrophobicContact CG-CB 4.38Å; Y181-V186 HydrophobicContact CD1-CG2 4.34Å; Y181-V186 HydrophobicContact CD2-CG2 3.65Å; Y181-V186 HydrophobicContact CE2-CG2 4.41Å; Y181-V186 HydrophobicContact CG-CB 4.41Å; Y181-V186 HydrophobicContact CG-CG2 3.61Å
182	D	92.6	Very high	93.5	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.07	21%	0.214	C	C	.	.			trans	-83.5	173.5	167.9	75.9	-4.2	0	0	0	111.1	N184 M185 V186 Y223 Y225	D182-N184 PolarHBondContact O-N 3.38Å; D182-N184 PolarHBondContact OD1-N 3.15Å; D182-M185 PolarHBondContact O-N 2.73Å; D182-M185 WeakPolarHBondContact OD1-CB 3.19Å; D182-M185 WeakPolarHBondContact OD1-CG 3.39Å; D182-M185 PolarHBondContact OD1-N 3.34Å; D182-V186 PolarHBondContact O-N 2.96Å; D182-Y223 HydrophobicContact CB-CD1 4.41Å; D182-Y225 HydrophobicContact CB-CE1 4.37Å
183	G	90.9	Very high	93.4	Very high	15 Å²	15	46.8 Å²	46.8	16%	0.155	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.6	-179.6	0	0	0	0	0	114.6	S224	G183-S224 WeakPolarHBondContact CA-O 3.39Å; G183-S224 PolarHBondContact N-O 3.47Å
184	N	91	Very high	93.4	Very high	110 Å²	110	51.3 Å²	51.3	59%	0.588	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-22.6	171.3	-62.4	-29.3	0	0	0	111.2	T58 D182	T58-N184 WeakPolarHBondContact CG2-O 3.27Å; D182-N184 PolarHBondContact O-N 3.38Å; D182-N184 PolarHBondContact OD1-N 3.15Å
185	M	93	Very high	93.3	Very high	73 Å²	73	51.7 Å²	51.7	36%	0.36	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-47.3	177.9	-70.7	-168.9	-155.7	0	0	112.6	R50 V59 Y181 D182	R50-M185 VanDerWaalsContact CZ-CG 3.48Å; R50-M185 VanDerWaalsContact NH1-CB 3.25Å; R50-M185 PolarHBondContact NH1-O 2.82Å; V59-M185 PolarHBondContact N-O 2.74Å; Y181-M185 HydrophobicContact CD1-CB 4.01Å; Y181-M185 HydrophobicContact CD1-SD 3.85Å; Y181-M185 HydrophobicContact CG-CB 4.38Å; D182-M185 PolarHBondContact O-N 2.73Å; D182-M185 WeakPolarHBondContact OD1-CB 3.19Å; D182-M185 WeakPolarHBondContact OD1-CG 3.39Å; D182-M185 PolarHBondContact OD1-N 3.34Å
186	V	94.7	Very high	93.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	117.7	-178.7	177	0	0	0	0	109.2	V59 V61 W116 Y181 D182 P226	V59-V186 WeakPolarHBondContact O-CA 3.31Å; V61-V186 HydrophobicContact CG2-CG1 3.99Å; W116-V186 HydrophobicContact CH2-CG2 4.36Å; W116-V186 HydrophobicContact CZ2-CG2 4.42Å; Y181-V186 HydrophobicContact CD1-CG2 4.34Å; Y181-V186 HydrophobicContact CD2-CG2 3.65Å; Y181-V186 HydrophobicContact CE2-CG2 4.41Å; Y181-V186 HydrophobicContact CG-CB 4.41Å; Y181-V186 HydrophobicContact CG-CG2 3.61Å; D182-V186 PolarHBondContact O-N 2.96Å; V186-P226 WeakPolarHBondContact O-CG 3.07Å
187	D	95.1	Very high	92.9	Very high	39 Å²	39	55.6 Å²	55.6	21%	0.209	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.9	174.2	-174.5	36.7	0	0	0	110.8	V59 R60 V61 K215	V59-D187 PolarHBondContact O-N 3.43Å; R60-D187 WeakPolarHBondContact CA-O 3.3Å; R60-D187 HydrophobicContact CG-CB 4.44Å; V61-D187 PolarHBondContact N-O 2.99Å; D187-K215 VanDerWaalsContact CG-NZ 3.31Å; D187-K215 IonicContact OD1-NZ 2.68Å; D187-K215 PolarHBondContact OD1-NZ 2.9Å; D187-K215 IonicContact OD2-NZ 3.16Å; D187-K215 PolarHBondContact OD2-NZ 2.87Å; D187-K215 VanDerWaalsContact OD2-NZ 3.16Å
188	L	95.5	Very high	92.6	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.1	177.5	-69.4	175.4	0	0	0	110.3	V61 F63 I120 K215 I228	V61-L188 HydrophobicContact CB-CD2 4.16Å; V61-L188 HydrophobicContact CG1-CD2 4.47Å; F63-L188 HydrophobicContact CB-CD2 4.47Å; I120-L188 HydrophobicContact CD1-CD2 3.61Å; I120-L188 HydrophobicContact CG1-CD2 4.17Å; L188-K215 WeakPolarHBondContact O-CD 3.27Å; L188-K215 WeakPolarHBondContact O-CE 3.28Å; L188-K215 PolarHBondContact O-NZ 3.48Å; L188-I228 HydrophobicContact CB-CD1 3.81Å; L188-I228 HydrophobicContact CB-CG1 4.24Å
189	V	95.5	Very high	92.3	Very high	49 Å²	49	68.4 Å²	68.4	30%	0.297	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.6	178	-177.6	0	0	0	0	108.6	V61 R62 F63 M191	V61-V189 PolarHBondContact O-N 2.9Å; R62-V189 CarbonylContact C-O 3.57Å; R62-V189 VanDerWaalsContact CA-O 3.25Å; R62-V189 WeakPolarHBondContact CA-O 3.45Å; R62-V189 HydrophobicContact CG-CB 4.5Å; F63-V189 PolarHBondContact N-O 2.95Å; V189-M191 PolarHBondContact O-N 2.83Å
190	L	95.4	Very high	92.3	Very high	27 Å²	27	62.5 Å²	62.5	14%	0.141	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	132.3	176.9	-152.5	78.7	0	0	0	109.7	D192 N193 G213 I228 Y230	L190-D192 WeakPolarHBondContact CD2-O 3.46Å; L190-D192 WeakPolarHBondContact CG-O 3.22Å; L190-N193 HydrophobicContact CD2-CB 4.49Å; L190-N193 WeakPolarHBondContact CD2-OD1 3.34Å; L190-G213 VanDerWaalsContact CD2-O 3.31Å; L190-G213 WeakPolarHBondContact CD2-O 3.47Å; L190-I228 HydrophobicContact CD1-CB 4.21Å; L190-I228 HydrophobicContact CD1-CD1 3.85Å; L190-I228 HydrophobicContact CD1-CG1 3.92Å; L190-I228 HydrophobicContact CD1-CG2 3.25Å; L190-Y230 HydrophobicContact CD1-CE1 4.35Å
191	M	94.2	Very high	92.2	Very high	35 Å²	35	64.6 Å²	64.6	17%	0.172	32%	0.318	C	S	.	.	S	Bend	trans	-71.7	-51.3	173.9	-74.4	-175.8	170	0	0	111.5	R62 F63 T87 E89 V189	R62-M191 HydrophobicContact CB-CE 3.6Å; R62-M191 HydrophobicContact CB-CG 3.82Å; R62-M191 WeakPolarHBondContact O-CE 3.16Å; F63-M191 PolarHBondContact O-N 3.02Å; T87-M191 HydrophobicContact CG2-CE 3.67Å; T87-M191 HydrophobicContact CG2-SD 3.76Å; E89-M191 HydrophobicContact CB-CE 3.67Å; E89-M191 VanDerWaalsContact CD-CE 3.41Å; E89-M191 HydrophobicContact CG-CE 3.43Å; E89-M191 VanDerWaalsContact CG-CE 3.43Å; E89-M191 WeakPolarHBondContact OE2-CE 3.14Å; V189-M191 PolarHBondContact O-N 2.83Å
192	D	92.4	Very high	91.9	Very high	116 Å²	116	67.5 Å²	67.5	62%	0.62	34%	0.337	S	S	*	.			trans	-140.8	144.7	-178.7	-72.4	-56.4	0	0	0	109.6	L190 H194	L190-D192 WeakPolarHBondContact CD2-O 3.46Å; L190-D192 WeakPolarHBondContact CG-O 3.22Å; D192-H194 VanDerWaalsContact C-N 3.26Å; D192-H194 PolarHBondContact O-N 3.2Å
193	N	91.9	Very high	91.4	Very high	111 Å²	111	69 Å²	69	59%	0.594	35%	0.345	S	S	*	.	S	Bend	trans	-71.6	-21.3	177.4	-68.8	-6.5	0	0	0	112.8	L190 T212 G213	L190-N193 HydrophobicContact CD2-CB 4.49Å; L190-N193 WeakPolarHBondContact CD2-OD1 3.34Å; N193-T212 CarbonylContact O-C 3.51Å; N193-T212 WeakPolarHBondContact O-CA 3.28Å; N193-G213 PolarHBondContact O-N 3.11Å
194	H	93.5	Very high	91.1	Very high	126 Å²	126	71 Å²	71	58%	0.583	37%	0.366	S	S	*	.	B	Isolated β-bridge	trans	-107.4	137.9	179.5	-65.8	92.3	0	0	0	109.9	D192	D192-H194 VanDerWaalsContact C-N 3.26Å; D192-H194 PolarHBondContact O-N 3.2Å
195	V	92.3	Very high	91.1	Very high	9 Å²	9	68.6 Å²	68.6	6%	0.055	35%	0.351	C	S	.	.			trans	-67.5	132.2	174.8	174.7	0	0	0	0	109.3	L65 I67 R197 A211 Y230 F232	L65-V195 HydrophobicContact CD2-CG1 3.57Å; L65-V195 HydrophobicContact CD2-CG2 4.29Å; I67-V195 HydrophobicContact CB-CG1 4.2Å; I67-V195 HydrophobicContact CG2-CG1 3.9Å; V195-R197 PolarHBondContact O-N 2.95Å; V195-A211 HydrophobicContact CB-CB 3.75Å; V195-A211 HydrophobicContact CG1-CB 4.5Å; V195-A211 HydrophobicContact CG2-CB 3.87Å; V195-A211 PolarHBondContact N-O 2.81Å; V195-A211 VanDerWaalsContact N-O 3.11Å; V195-Y230 HydrophobicContact CG2-CD1 3.36Å; V195-Y230 HydrophobicContact CG2-CE1 3.81Å; V195-Y230 HydrophobicContact CG2-CG 4.2Å; V195-F232 HydrophobicContact CG1-CE1 4.36Å; V195-F232 HydrophobicContact CG2-CE1 4.32Å; V195-F232 HydrophobicContact CG2-CZ 4.32Å
196	D	89.9	Confident	91	Very high	50 Å²	50	65.3 Å²	65.3	27%	0.267	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-68.8	122.7	175.3	-175.8	9.4	0	0	0	110	L65 K66 I67 K198	L65-D196 PolarHBondContact O-N 3.45Å; K66-D196 HydrophobicContact CB-CB 4.06Å; K66-D196 HydrophobicContact CD-CB 4.34Å; K66-D196 WeakPolarHBondContact CD-OD2 3.48Å; K66-D196 WeakPolarHBondContact CE-OD2 3.38Å; K66-D196 HydrophobicContact CG-CB 3.96Å; K66-D196 IonicContact NZ-OD2 2.78Å; K66-D196 PolarHBondContact NZ-OD2 3.38Å; I67-D196 PolarHBondContact N-O 3.14Å; I67-D196 VanDerWaalsContact N-O 3.1Å; D196-K198 WeakPolarHBondContact OD1-CB 3.26Å; D196-K198 WeakPolarHBondContact OD1-CD 3.49Å; D196-K198 WeakPolarHBondContact OD1-CG 3.43Å; D196-K198 PolarHBondContact OD1-N 3.22Å
197	R	89.7	Confident	90.9	Very high	92 Å²	92	69.3 Å²	69.3	35%	0.347	35%	0.353	S	S	.	.			trans	-114.8	9.4	-179.2	-64.9	174.7	64.4	175.7	2.2	113	I67 V195 D199 F200 I208	I67-R197 HydrophobicContact CG2-CG 3.93Å; V195-R197 PolarHBondContact O-N 2.95Å; R197-D199 PolarHBondContact O-N 3.47Å; R197-F200 HydrophobicContact CB-CB 4.23Å; R197-F200 WeakPolarHBondContact O-CB 3.42Å; R197-F200 PolarHBondContact O-N 3.3Å; R197-F200 VanDerWaalsContact O-N 3.08Å; R197-I208 PolarHBondContact NH1-O 2.91Å; R197-I208 PolarHBondContact NH2-O 3.19Å; R197-I208 VanDerWaalsContact NH2-O 3.12Å
198	K	87.8	Confident	90.7	Very high	176 Å²	176	67.6 Å²	67.6	77%	0.765	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.7	-174.7	-75.2	169.3	-174.5	172.6	0	114.2	D196	D196-K198 WeakPolarHBondContact OD1-CB 3.26Å; D196-K198 WeakPolarHBondContact OD1-CD 3.49Å; D196-K198 WeakPolarHBondContact OD1-CG 3.43Å; D196-K198 PolarHBondContact OD1-N 3.22Å
199	D	88.2	Confident	90.5	Very high	100 Å²	100	70.5 Å²	70.5	54%	0.535	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	28.1	179.5	-56.1	-20	0	0	0	111.6	K66 R197	K66-D199 WeakPolarHBondContact CE-OD2 3.4Å; K66-D199 VanDerWaalsContact NZ-CG 3.3Å; K66-D199 IonicContact NZ-OD1 2.61Å; K66-D199 IonicContact NZ-OD2 3.49Å; K66-D199 PolarHBondContact NZ-OD2 3.01Å; R197-D199 PolarHBondContact O-N 3.47Å
200	F	91.1	Very high	90.3	Very high	32 Å²	32	69.4 Å²	69.4	14%	0.14	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-75.5	129.4	179.9	-178.4	-115.2	0	0	0	111.1	I67 S68 L70 R197 D202 I208	I67-F200 HydrophobicContact CD1-CD2 4.36Å; I67-F200 HydrophobicContact CD1-CE2 4.04Å; I67-F200 HydrophobicContact CG1-CD2 4.1Å; I67-F200 HydrophobicContact CG1-CE2 4.22Å; I67-F200 HydrophobicContact CG2-CD2 3.96Å; S68-F200 WeakPolarHBondContact O-CA 3.24Å; L70-F200 HydrophobicContact CB-CE2 4.22Å; L70-F200 HydrophobicContact CB-CZ 4.36Å; R197-F200 HydrophobicContact CB-CB 4.23Å; R197-F200 WeakPolarHBondContact O-CB 3.42Å; R197-F200 PolarHBondContact O-N 3.3Å; R197-F200 VanDerWaalsContact O-N 3.08Å; F200-D202 WeakPolarHBondContact CD1-OD1 3.05Å; F200-D202 WeakPolarHBondContact CE1-OD1 3.44Å; F200-I208 HydrophobicContact CD2-CD1 4.3Å; F200-I208 HydrophobicContact CE1-CD1 4.07Å; F200-I208 HydrophobicContact CE1-CG1 4.44Å; F200-I208 HydrophobicContact CE2-CD1 3.54Å; F200-I208 HydrophobicContact CZ-CD1 3.41Å; F200-I208 VanDerWaalsContact CZ-CD1 3.41Å; F200-I208 HydrophobicContact CZ-CG1 3.97Å
201	F	89.8	Confident	90.2	Very high	138 Å²	138	68.5 Å²	68.5	61%	0.605	35%	0.35	S	S	*	.	B	Isolated β-bridge	trans	-102	119	171.2	-172.3	-94	0	0	0	110.2	S68	S68-F201 PolarHBondContact O-N 2.83Å
202	D	85.3	Confident	90.3	Very high	106 Å²	106	69 Å²	69	57%	0.567	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-68.5	131.1	178.4	-67.3	-53.7	0	0	0	111.2	F200	F200-D202 WeakPolarHBondContact CD1-OD1 3.05Å; F200-D202 WeakPolarHBondContact CE1-OD1 3.44Å
203	N	82.1	Confident	90.4	Very high	43 Å²	43	63.9 Å²	63.9	23%	0.23	33%	0.33	C	S	.	.			trans	-86.2	-7.6	177.6	69.1	-3.4	0	0	0	113.6	L70 E205 W206	L70-N203 WeakPolarHBondContact O-CB 3.36Å; L70-N203 PolarHBondContact O-ND2 3.41Å; L70-N203 VanDerWaalsContact O-ND2 3.13Å; N203-E205 PolarHBondContact O-N 2.89Å; N203-E205 PolarHBondContact OD1-N 2.83Å; N203-W206 PolarHBondContact OD1-N 2.92Å; N203-W206 PolarHBondContact OD1-O 2.89Å
204	G	85.8	Confident	90.6	Very high	59 Å²	59	61.3 Å²	61.3	61%	0.608	32%	0.324	S	S	*	.	S	Bend	trans	75.8	-1.4	176.5	0	0	0	0	0	115.8	L237	G204-L237 WeakPolarHBondContact O-CD1 3.45Å
205	E	89.2	Confident	90.6	Very high	58 Å²	58	60.3 Å²	60.3	27%	0.271	32%	0.318	S	S	.	.	S	Bend	trans	-108.1	-35.7	174.3	-175.4	175.7	-172.6	0	0	112	N203 R236 L237 Y241	N203-E205 PolarHBondContact O-N 2.89Å; N203-E205 PolarHBondContact OD1-N 2.83Å; E205-R236 IonicContact OE1-NH1 3.11Å; E205-R236 PolarHBondContact OE1-NH1 2.85Å; E205-L237 WeakPolarHBondContact O-CB 3.45Å; E205-L237 PolarHBondContact O-N 2.81Å; E205-Y241 PolarHBondContact OE1-OH 3.26Å; E205-Y241 VanDerWaalsContact OE1-OH 3.09Å
206	W	92.1	Very high	90.7	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.015	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.6	-173.4	-68.8	94.5	0	0	0	111.5	L70 V73 Q170 N203 L234 R236	L70-W206 HydrophobicContact CD2-CB 3.66Å; L70-W206 HydrophobicContact CD2-CG 4.21Å; V73-W206 HydrophobicContact CB-CZ2 3.88Å; V73-W206 HydrophobicContact CG1-CH2 4.35Å; V73-W206 HydrophobicContact CG1-CZ2 3.83Å; V73-W206 HydrophobicContact CG2-CD2 4.31Å; V73-W206 HydrophobicContact CG2-CG 4.34Å; V73-W206 HydrophobicContact CG2-CZ2 4.45Å; Q170-W206 HydrophobicContact CG-CH2 3.73Å; Q170-W206 HydrophobicContact CG-CZ3 3.91Å; N203-W206 PolarHBondContact OD1-N 2.92Å; N203-W206 PolarHBondContact OD1-O 2.89Å; W206-L234 HydrophobicContact CE3-CB 3.84Å; W206-L234 HydrophobicContact CZ3-CB 4.17Å; W206-R236 HydrophobicContact CE3-CB 4.05Å; W206-R236 HydrophobicContact CH2-CB 4.18Å; W206-R236 VanDerWaalsContact CH2-CZ 3.45Å; W206-R236 VanDerWaalsContact CZ2-NH1 3.28Å; W206-R236 HydrophobicContact CZ3-CB 3.83Å
207	E	91.3	Very high	90.8	Very high	85 Å²	85	62.4 Å²	62.4	40%	0.397	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126	172.8	-176.3	-176.8	-165.8	0	0	109.5	L209 L234 K235	E207-L209 HydrophobicContact CG-CD2 4.28Å; E207-L209 PolarHBondContact O-N 2.9Å; E207-L234 CarbonylContact O-C 3.56Å; E207-L234 WeakPolarHBondContact O-CA 3.3Å; E207-K235 PolarHBondContact N-O 3.02Å; E207-K235 PolarHBondContact O-N 2.58Å
208	I	92.1	Very high	90.9	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	107	172.5	-52.9	178.3	0	0	0	108.3	I67 R197 F200 A211 L234	I67-I208 HydrophobicContact CD1-CD1 3.79Å; R197-I208 PolarHBondContact NH1-O 2.91Å; R197-I208 PolarHBondContact NH2-O 3.19Å; R197-I208 VanDerWaalsContact NH2-O 3.12Å; F200-I208 HydrophobicContact CD2-CD1 4.3Å; F200-I208 HydrophobicContact CE1-CD1 4.07Å; F200-I208 HydrophobicContact CE1-CG1 4.44Å; F200-I208 HydrophobicContact CE2-CD1 3.54Å; F200-I208 HydrophobicContact CZ-CD1 3.41Å; F200-I208 VanDerWaalsContact CZ-CD1 3.41Å; F200-I208 HydrophobicContact CZ-CG1 3.97Å; I208-A211 HydrophobicContact CG2-CB 4.06Å; I208-L234 HydrophobicContact CB-CD2 4.31Å; I208-L234 HydrophobicContact CG1-CD2 3.71Å; I208-L234 HydrophobicContact CG2-CD2 4.41Å
209	L	90.6	Very high	91	Very high	60 Å²	60	64 Å²	64	31%	0.314	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-45	178.1	-63.6	-177.2	0	0	0	111.8	E207 I233 K235	E207-L209 HydrophobicContact CG-CD2 4.28Å; E207-L209 PolarHBondContact O-N 2.9Å; L209-I233 HydrophobicContact CB-CB 4.49Å; L209-I233 HydrophobicContact CB-CG2 4.27Å; L209-I233 HydrophobicContact CD1-CG2 4.27Å; L209-I233 PolarHBondContact N-O 3.03Å; L209-K235 HydrophobicContact CD1-CB 3.82Å; L209-K235 HydrophobicContact CD1-CD 4.26Å; L209-K235 HydrophobicContact CD2-CB 4.17Å; L209-K235 HydrophobicContact CD2-CD 4.11Å; L209-K235 HydrophobicContact CG-CB 3.83Å
210	S	91.6	Very high	91	Very high	26 Å²	26	63.9 Å²	63.9	18%	0.182	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	142.8	179.7	-176.7	0	0	0	0	110.4	I233	S210-I233 PolarHBondContact N-O 3.36Å; S210-I233 PolarHBondContact O-N 2.92Å
211	A	93.7	Very high	90.8	Very high	8 Å²	8	66.1 Å²	66.1	7%	0.066	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	103.9	176.8	0	0	0	0	0	108.7	V195 I208 S231 F232	V195-A211 HydrophobicContact CB-CB 3.75Å; V195-A211 HydrophobicContact CG1-CB 4.5Å; V195-A211 HydrophobicContact CG2-CB 3.87Å; V195-A211 PolarHBondContact N-O 2.81Å; V195-A211 VanDerWaalsContact N-O 3.11Å; I208-A211 HydrophobicContact CG2-CB 4.06Å; A211-S231 WeakPolarHBondContact CA-O 3.32Å; A211-F232 HydrophobicContact CB-CD1 3.77Å; A211-F232 HydrophobicContact CB-CE1 3.93Å
212	T	95.4	Very high	90.5	Very high	47 Å²	47	67.1 Å²	67.1	29%	0.288	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.1	-171.6	53.7	0	0	0	0	111.8	N193 Y230 S231	N193-T212 CarbonylContact O-C 3.51Å; N193-T212 WeakPolarHBondContact O-CA 3.28Å; T212-Y230 CarbonylContact O-C 3.59Å; T212-Y230 WeakPolarHBondContact O-CA 3.43Å; T212-S231 PolarHBondContact N-O 3.33Å; T212-S231 PolarHBondContact O-N 3.23Å
213	G	95.3	Very high	90.7	Very high	8 Å²	8	68.2 Å²	68.2	8%	0.082	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135.2	176	0	0	0	0	0	111.3	L190 N193 T229 Y230	L190-G213 VanDerWaalsContact CD2-O 3.31Å; L190-G213 WeakPolarHBondContact CD2-O 3.47Å; N193-G213 PolarHBondContact O-N 3.11Å; G213-T229 CarbonylContact C-O 3.52Å; G213-T229 WeakPolarHBondContact CA-O 3.28Å; G213-Y230 VanDerWaalsContact CA-CD1 3.44Å
214	A	95.1	Very high	91.1	Very high	57 Å²	57	67.4 Å²	67.4	47%	0.471	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.4	173.3	0	0	0	0	0	110.5	T229	A214-T229 PolarHBondContact N-O 2.85Å; A214-T229 PolarHBondContact O-N 3.13Å
215	K	94.6	Very high	91.5	Very high	105 Å²	105	67 Å²	67	46%	0.457	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	127.2	171	-177.3	174.4	178.8	164.2	0	109.2	D187 L188	D187-K215 VanDerWaalsContact CG-NZ 3.31Å; D187-K215 IonicContact OD1-NZ 2.68Å; D187-K215 PolarHBondContact OD1-NZ 2.9Å; D187-K215 IonicContact OD2-NZ 3.16Å; D187-K215 PolarHBondContact OD2-NZ 2.87Å; D187-K215 VanDerWaalsContact OD2-NZ 3.16Å; L188-K215 WeakPolarHBondContact O-CD 3.27Å; L188-K215 WeakPolarHBondContact O-CE 3.28Å; L188-K215 PolarHBondContact O-NZ 3.48Å
216	G	93.5	Very high	91.7	Very high	19 Å²	19	64.7 Å²	64.7	20%	0.196	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	169.9	171.9	0	0	0	0	0	111.3	F227	G216-F227 PolarHBondContact N-O 3.38Å; G216-F227 PolarHBondContact O-N 3.33Å
217	N	93.3	Very high	91.9	Very high	83 Å²	83	66.4 Å²	66.4	44%	0.444	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	119.4	177.6	-174.2	14	0	0	0	109.8	S224 Y225	N217-S224 PolarHBondContact ND2-OG 2.89Å; N217-S224 PolarHBondContact OD1-OG 3.44Å; N217-Y225 PolarHBondContact OD1-N 3.11Å; N217-Y225 PolarHBondContact OD1-O 2.85Å
218	R	90.9	Very high	92.2	Very high	134 Å²	134	62.3 Å²	62.3	51%	0.506	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.7	176.8	-171.6	-178.9	79.2	166.5	5.5	108.5	Y225 F227	R218-Y225 PolarHBondContact N-O 2.61Å; R218-Y225 PolarHBondContact O-N 3.04Å; R218-F227 HydrophobicContact CB-CD1 4.16Å; R218-F227 HydrophobicContact CB-CE1 3.88Å
219	K	90.6	Very high	92.3	Very high	167 Å²	167	63.1 Å²	63.1	73%	0.726	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.2	172.1	-67.2	-174.7	177.4	-177.1	0	109.6	Y223	K219-Y223 WeakPolarHBondContact CA-O 3.02Å
220	D	86.8	Confident	92.6	Very high	98 Å²	98	60.4 Å²	60.4	52%	0.524	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	98.9	173.5	-167.3	5.3	0	0	0	108.6	L222 Y223 Y225	D220-L222 PolarHBondContact O-N 3.28Å; D220-L222 VanDerWaalsContact O-N 3.17Å; D220-Y223 PolarHBondContact N-O 2.91Å; D220-Y223 PolarHBondContact O-N 2.04Å; D220-Y223 VanDerWaalsContact O-N 3.1Å; D220-Y225 HydrophobicContact CB-CD2 4.44Å; D220-Y225 HydrophobicContact CB-CE2 4.13Å
221	G	87.1	Confident	92.8	Very high	79 Å²	79	60.8 Å²	60.8	81%	0.814	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	-115.1	-170.2	0	0	0	0	0	112.6
222	L	84.8	Confident	92.8	Very high	159 Å²	159	60.5 Å²	60.5	83%	0.832	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-18.8	180	-166.1	69.3	0	0	0	112.9	D220	D220-L222 PolarHBondContact O-N 3.28Å; D220-L222 VanDerWaalsContact O-N 3.17Å
223	Y	87.9	Confident	92.8	Very high	129 Å²	129	61.1 Å²	61.1	51%	0.506	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	145.8	-175.1	-58.3	-74.3	0	0	0	111.4	D182 K219 D220	D182-Y223 HydrophobicContact CB-CD1 4.41Å; K219-Y223 WeakPolarHBondContact CA-O 3.02Å; D220-Y223 PolarHBondContact N-O 2.91Å; D220-Y223 PolarHBondContact O-N 2.04Å; D220-Y223 VanDerWaalsContact O-N 3.1Å
224	S	91.8	Very high	92.6	Very high	26 Å²	26	60.8 Å²	60.8	18%	0.182	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.9	-179.1	-158.8	0	0	0	0	108.3	G183 N217 P226	G183-S224 WeakPolarHBondContact CA-O 3.39Å; G183-S224 PolarHBondContact N-O 3.47Å; N217-S224 PolarHBondContact ND2-OG 2.89Å; N217-S224 PolarHBondContact OD1-OG 3.44Å; S224-P226 WeakPolarHBondContact O-CD 3.4Å
225	Y	93.3	Very high	92.5	Very high	51 Å²	51	60.1 Å²	60.1	20%	0.2	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	99.8	-179.3	-63.2	-83.2	0	0	0	109.2	D182 N217 R218 D220	D182-Y225 HydrophobicContact CB-CE1 4.37Å; N217-Y225 PolarHBondContact OD1-N 3.11Å; N217-Y225 PolarHBondContact OD1-O 2.85Å; R218-Y225 PolarHBondContact N-O 2.61Å; R218-Y225 PolarHBondContact O-N 3.04Å; D220-Y225 HydrophobicContact CB-CD2 4.44Å; D220-Y225 HydrophobicContact CB-CE2 4.13Å
226	P	94.8	Very high	92.3	Very high	9 Å²	9	55.1 Å²	55.1	6%	0.058	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	138.7	176	29.1	-33	0	0	0	109.7	V186 S224	V186-P226 WeakPolarHBondContact O-CG 3.07Å; S224-P226 WeakPolarHBondContact O-CD 3.4Å
227	F	95.7	Very high	92.2	Very high	40 Å²	40	57.8 Å²	57.8	18%	0.175	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159.5	175.7	63.6	-95.7	0	0	0	110.1	Y123 F176 G216 R218 T229	Y123-F227 HydrophobicContact CE2-CB 4.18Å; F176-F227 CarbonylContact O-C 3.59Å; F176-F227 VanDerWaalsContact O-CA 3.24Å; F176-F227 WeakPolarHBondContact O-CA 3.25Å; F176-F227 WeakPolarHBondContact O-CB 3.38Å; G216-F227 PolarHBondContact N-O 3.38Å; G216-F227 PolarHBondContact O-N 3.33Å; R218-F227 HydrophobicContact CB-CD1 4.16Å; R218-F227 HydrophobicContact CB-CE1 3.88Å; F227-T229 WeakPolarHBondContact CD2-OG1 3.37Å; F227-T229 VanDerWaalsContact CE2-OG1 3.25Å; F227-T229 WeakPolarHBondContact CE2-OG1 3.33Å
228	I	96.5	Very high	92.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.4	174.4	-72.4	166.3	0	0	0	107.7	F63 F176 L188 L190 Y230	F63-I228 HydrophobicContact CB-CD1 3.67Å; F63-I228 HydrophobicContact CD1-CB 4.24Å; F63-I228 HydrophobicContact CD1-CD1 3.71Å; F63-I228 HydrophobicContact CD1-CG2 4.15Å; F63-I228 HydrophobicContact CE1-CG2 4.48Å; F63-I228 HydrophobicContact CG-CD1 4.1Å; F176-I228 PolarHBondContact N-O 3.42Å; F176-I228 PolarHBondContact O-N 3.35Å; L188-I228 HydrophobicContact CB-CD1 3.81Å; L188-I228 HydrophobicContact CB-CG1 4.24Å; L190-I228 HydrophobicContact CD1-CB 4.21Å; L190-I228 HydrophobicContact CD1-CD1 3.85Å; L190-I228 HydrophobicContact CD1-CG1 3.92Å; L190-I228 HydrophobicContact CD1-CG2 3.25Å; I228-Y230 HydrophobicContact CG2-CD2 3.97Å; I228-Y230 HydrophobicContact CG2-CE2 3.54Å
229	T	96	Very high	92.1	Very high	21 Å²	21	54.2 Å²	54.2	13%	0.129	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.3	175.8	-55.1	0	0	0	0	109.5	M174 K175 G213 A214 F227	M174-T229 CarbonylContact O-C 3.52Å; M174-T229 WeakPolarHBondContact O-CA 3.34Å; K175-T229 HydrophobicContact CG-CG2 3.97Å; G213-T229 CarbonylContact C-O 3.52Å; G213-T229 WeakPolarHBondContact CA-O 3.28Å; A214-T229 PolarHBondContact N-O 2.85Å; A214-T229 PolarHBondContact O-N 3.13Å; F227-T229 WeakPolarHBondContact CD2-OG1 3.37Å; F227-T229 VanDerWaalsContact CE2-OG1 3.25Å; F227-T229 WeakPolarHBondContact CE2-OG1 3.33Å
230	Y	96.3	Very high	92.1	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.2	167.9	-71.8	-75.3	0	0	0	109.4	F63 L65 S173 M174 F176 L190 V195 T212 G213 I228	F63-Y230 HydrophobicContact CD1-CE2 4.02Å; F63-Y230 AromaticContact CE1-CE2 3.71Å; F63-Y230 HydrophobicContact CE1-CE2 3.71Å; L65-Y230 HydrophobicContact CB-CD1 4.48Å; L65-Y230 HydrophobicContact CB-CD2 3.87Å; L65-Y230 HydrophobicContact CB-CE1 4.09Å; L65-Y230 HydrophobicContact CB-CE2 3.42Å; L65-Y230 VanDerWaalsContact CB-CE2 3.42Å; L65-Y230 HydrophobicContact CB-CG 4.37Å; L65-Y230 HydrophobicContact CD1-CD2 3.74Å; L65-Y230 HydrophobicContact CD1-CE2 4.08Å; L65-Y230 HydrophobicContact CD1-CG 4.28Å; L65-Y230 HydrophobicContact CG-CD2 4.39Å; L65-Y230 HydrophobicContact CG-CE2 4.38Å; L65-Y230 PolarHBondContact N-OH 2.88Å; S173-Y230 CarbonylContact C-O 3.59Å; S173-Y230 VanDerWaalsContact CA-O 3.3Å; S173-Y230 WeakPolarHBondContact CA-O 3.4Å; M174-Y230 PolarHBondContact N-O 3.1Å; M174-Y230 PolarHBondContact O-N 2.8Å; F176-Y230 HydrophobicContact CD2-CD2 4.05Å; F176-Y230 HydrophobicContact CD2-CE2 4.49Å; F176-Y230 HydrophobicContact CE2-CD2 4.21Å; L190-Y230 HydrophobicContact CD1-CE1 4.35Å; V195-Y230 HydrophobicContact CG2-CD1 3.36Å; V195-Y230 HydrophobicContact CG2-CE1 3.81Å; V195-Y230 HydrophobicContact CG2-CG 4.2Å; T212-Y230 CarbonylContact O-C 3.59Å; T212-Y230 WeakPolarHBondContact O-CA 3.43Å; G213-Y230 VanDerWaalsContact CA-CD1 3.44Å; I228-Y230 HydrophobicContact CG2-CD2 3.97Å; I228-Y230 HydrophobicContact CG2-CE2 3.54Å
231	S	95.3	Very high	92.2	Very high	34 Å²	34	49 Å²	49	24%	0.238	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.8	178.6	-53.1	0	0	0	0	109.8	A211 T212	A211-S231 WeakPolarHBondContact CA-O 3.32Å; T212-S231 PolarHBondContact N-O 3.33Å; T212-S231 PolarHBondContact O-N 3.23Å
232	F	94.6	Very high	92.2	Very high	2 Å²	2	47 Å²	47	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.4	179.2	-62.7	-90.2	0	0	0	109.2	L65 I67 M80 N171 C172 M174 V195 A211 L234	L65-F232 HydrophobicContact CD2-CZ 4.04Å; I67-F232 HydrophobicContact CD1-CE1 4.1Å; M80-F232 HydrophobicContact CE-CD2 4.13Å; M80-F232 HydrophobicContact CE-CE2 4.48Å; N171-F232 WeakPolarHBondContact CA-O 3.25Å; C172-F232 PolarHBondContact N-O 2.9Å; C172-F232 PolarHBondContact O-N 3.29Å; M174-F232 HydrophobicContact CG-CD2 4.46Å; M174-F232 HydrophobicContact CG-CE2 4.02Å; M174-F232 HydrophobicContact SD-CD2 4.49Å; M174-F232 HydrophobicContact SD-CE2 3.68Å; M174-F232 HydrophobicContact SD-CZ 4.31Å; V195-F232 HydrophobicContact CG1-CE1 4.36Å; V195-F232 HydrophobicContact CG2-CE1 4.32Å; V195-F232 HydrophobicContact CG2-CZ 4.32Å; A211-F232 HydrophobicContact CB-CD1 3.77Å; A211-F232 HydrophobicContact CB-CE1 3.93Å; F232-L234 HydrophobicContact CB-CD2 4.16Å; F232-L234 HydrophobicContact CB-CG 4.39Å
233	I	93.9	Very high	92.5	Very high	59 Å²	59	43.3 Å²	43.3	30%	0.303	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	108.6	171.4	-54	-179.1	0	0	0	107.4	Q170 L209 S210	Q170-I233 WeakPolarHBondContact O-CA 3.36Å; L209-I233 HydrophobicContact CB-CB 4.49Å; L209-I233 HydrophobicContact CB-CG2 4.27Å; L209-I233 HydrophobicContact CD1-CG2 4.27Å; L209-I233 PolarHBondContact N-O 3.03Å; S210-I233 PolarHBondContact N-O 3.36Å; S210-I233 PolarHBondContact O-N 2.92Å
234	L	92.8	Very high	92.5	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143	-176.8	-52.3	178	0	0	0	109.9	L70 V73 M80 R169 Q170 W206 E207 I208 F232	L70-L234 HydrophobicContact CD2-CD1 4.19Å; L70-L234 HydrophobicContact CD2-CD2 4.02Å; V73-L234 HydrophobicContact CG2-CD1 4Å; M80-L234 HydrophobicContact SD-CD1 4.12Å; R169-L234 CarbonylContact C-O 3.45Å; R169-L234 VanDerWaalsContact CA-O 3.22Å; R169-L234 WeakPolarHBondContact CA-O 3.21Å; Q170-L234 HydrophobicContact CB-CB 4.41Å; Q170-L234 PolarHBondContact N-O 3.13Å; Q170-L234 PolarHBondContact O-N 3.45Å; W206-L234 HydrophobicContact CE3-CB 3.84Å; W206-L234 HydrophobicContact CZ3-CB 4.17Å; E207-L234 CarbonylContact O-C 3.56Å; E207-L234 WeakPolarHBondContact O-CA 3.3Å; I208-L234 HydrophobicContact CB-CD2 4.31Å; I208-L234 HydrophobicContact CG1-CD2 3.71Å; I208-L234 HydrophobicContact CG2-CD2 4.41Å; F232-L234 HydrophobicContact CB-CD2 4.16Å; F232-L234 HydrophobicContact CB-CG 4.39Å
235	K	91.6	Very high	92.2	Very high	43 Å²	43	42.7 Å²	42.7	19%	0.187	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.7	174.1	178.3	-173	172	-166.3	0	109.3	R169 E207 L209	R169-K235 HydrophobicContact CG-CB 4.46Å; R169-K235 HydrophobicContact CG-CG 4.49Å; E207-K235 PolarHBondContact N-O 3.02Å; E207-K235 PolarHBondContact O-N 2.58Å; L209-K235 HydrophobicContact CD1-CB 3.82Å; L209-K235 HydrophobicContact CD1-CD 4.26Å; L209-K235 HydrophobicContact CD2-CB 4.17Å; L209-K235 HydrophobicContact CD2-CD 4.11Å; L209-K235 HydrophobicContact CG-CB 3.83Å
236	R	91.6	Very high	91.9	Very high	1 Å²	1	41 Å²	41	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	144.3	177.3	-166.5	-174.5	-56.4	-89.9	0.6	111.6	E75 D168 E205 W206 P238	E75-R236 IonicContact OE1-CZ 2.85Å; E75-R236 IonicContact OE1-NH1 3.76Å; E75-R236 PolarHBondContact OE1-NH1 2.81Å; E75-R236 IonicContact OE1-NH2 3.83Å; E75-R236 PolarHBondContact OE1-NH2 3.11Å; D168-R236 PolarHBondContact O-N 3.07Å; D168-R236 IonicContact OD1-CZ 3.26Å; D168-R236 IonicContact OD1-NE 3.88Å; D168-R236 PolarHBondContact OD1-NE 3.34Å; D168-R236 IonicContact OD1-NH2 2.72Å; D168-R236 IonicContact OD2-CZ 3.77Å; D168-R236 IonicContact OD2-NE 3.72Å; D168-R236 IonicContact OD2-NH2 3.55Å; D168-R236 PolarHBondContact OD2-NH2 2.71Å; D168-R236 VanDerWaalsContact OD2-NH2 3.11Å; E205-R236 IonicContact OE1-NH1 3.11Å; E205-R236 PolarHBondContact OE1-NH1 2.85Å; W206-R236 HydrophobicContact CE3-CB 4.05Å; W206-R236 HydrophobicContact CH2-CB 4.18Å; W206-R236 VanDerWaalsContact CH2-CZ 3.45Å; W206-R236 VanDerWaalsContact CZ2-NH1 3.28Å; W206-R236 HydrophobicContact CZ3-CB 3.83Å; R236-P238 WeakPolarHBondContact O-CD 3.46Å
237	L	91.4	Very high	91.6	Very high	75 Å²	75	45 Å²	45	39%	0.393	23%	0.225	S	C	.	.			trans	-88.1	108.3	166.1	-64	173.9	0	0	0	109.4	G204 E205 L239	G204-L237 WeakPolarHBondContact O-CD1 3.45Å; E205-L237 WeakPolarHBondContact O-CB 3.45Å; E205-L237 PolarHBondContact O-N 2.81Å; L237-L239 VanDerWaalsContact C-N 3.32Å; L237-L239 PolarHBondContact O-N 3.37Å
238	P	90.7	Very high	91.2	Very high	20 Å²	20	44.9 Å²	44.9	13%	0.13	23%	0.229	C	C	.	.			trans	-83.3	-0.1	-163.1	33.5	-38.4	0	0	0	114.8	P166 F167 R236 F240 Y241 T242 F469	P166-P238 HydrophobicContact CB-CB 4.31Å; P166-P238 HydrophobicContact CG-CB 4.1Å; F167-P238 HydrophobicContact CD1-CB 3.73Å; F167-P238 HydrophobicContact CD1-CG 3.8Å; F167-P238 HydrophobicContact CE1-CB 3.6Å; F167-P238 HydrophobicContact CE1-CG 3.65Å; F167-P238 HydrophobicContact CZ-CB 4.43Å; R236-P238 WeakPolarHBondContact O-CD 3.46Å; P238-F240 PolarHBondContact O-N 2.92Å; P238-Y241 PolarHBondContact O-N 2.79Å; P238-T242 WeakPolarHBondContact O-CB 3.44Å; P238-T242 PolarHBondContact O-N 2.84Å; P238-T242 PolarHBondContact O-OG1 3.25Å; P238-F469 HydrophobicContact CG-CE2 4.01Å; P238-F469 HydrophobicContact CG-CZ 3.99Å
239	L	90	Very high	90.7	Very high	122 Å²	122	45 Å²	45	64%	0.639	23%	0.229	S	C	*	.	H	α-helix	trans	-59.2	-46.9	-166.5	-175.7	68.5	0	0	0	112.6	L237 T242 L243	L237-L239 VanDerWaalsContact C-N 3.32Å; L237-L239 PolarHBondContact O-N 3.37Å; L239-T242 PolarHBondContact O-N 3.04Å; L239-L243 HydrophobicContact CD1-CD1 4.2Å; L239-L243 HydrophobicContact CD1-CG 4.39Å; L239-L243 HydrophobicContact CG-CD1 4.18Å; L239-L243 WeakPolarHBondContact O-CG 3.32Å; L239-L243 PolarHBondContact O-N 3.39Å
240	F	90.4	Very high	90.3	Very high	127 Å²	127	47 Å²	47	56%	0.557	24%	0.239	S	C	*	.	H	α-helix	trans	-58	-54	179.7	176.5	-98.2	0	0	0	111.5	P238 T242 L243 F244	P238-F240 PolarHBondContact O-N 2.92Å; F240-T242 VanDerWaalsContact C-N 3.31Å; F240-T242 PolarHBondContact O-N 3.25Å; F240-L243 PolarHBondContact O-N 3.44Å; F240-F244 AromaticContact CD2-CD2 3.6Å; F240-F244 HydrophobicContact CD2-CD2 3.6Å; F240-F244 AromaticContact CD2-CE2 3.76Å; F240-F244 HydrophobicContact CD2-CE2 3.76Å; F240-F244 AromaticContact CE2-CD2 3.59Å; F240-F244 HydrophobicContact CE2-CD2 3.59Å; F240-F244 AromaticContact CE2-CE2 3.81Å; F240-F244 HydrophobicContact CE2-CE2 3.81Å; F240-F244 HydrophobicContact CG-CD2 4.21Å; F240-F244 HydrophobicContact CZ-CD2 4.21Å; F240-F244 VanDerWaalsContact O-CD2 3.29Å; F240-F244 WeakPolarHBondContact O-CD2 3.35Å; F240-F244 PolarHBondContact O-N 2.92Å
241	Y	88.7	Confident	90	Very high	27 Å²	27	48.4 Å²	48.4	11%	0.106	26%	0.255	C	S	.	.	H	α-helix	trans	-66.4	-32.7	180	-60.5	-74.3	0	0	0	112.6	F165 P166 E205 P238 L245 I246	F165-Y241 HydrophobicContact CE1-CD1 4.08Å; F165-Y241 HydrophobicContact CE1-CG 4.36Å; F165-Y241 HydrophobicContact CE2-CE1 4.42Å; F165-Y241 AromaticContact CZ-CD1 3.55Å; F165-Y241 HydrophobicContact CZ-CD1 3.55Å; F165-Y241 HydrophobicContact CZ-CD2 4.37Å; F165-Y241 AromaticContact CZ-CE1 3.65Å; F165-Y241 HydrophobicContact CZ-CE1 3.65Å; F165-Y241 HydrophobicContact CZ-CE2 4.48Å; F165-Y241 AromaticContact CZ-CG 3.92Å; F165-Y241 HydrophobicContact CZ-CG 3.92Å; P166-Y241 HydrophobicContact CB-CD2 3.98Å; P166-Y241 HydrophobicContact CB-CG 3.95Å; E205-Y241 PolarHBondContact OE1-OH 3.26Å; E205-Y241 VanDerWaalsContact OE1-OH 3.09Å; P238-Y241 PolarHBondContact O-N 2.79Å; Y241-L245 HydrophobicContact CD1-CD1 3.73Å; Y241-L245 WeakPolarHBondContact O-CA 3.27Å; Y241-L245 VanDerWaalsContact O-CB 3.25Å; Y241-L245 WeakPolarHBondContact O-CB 3.24Å; Y241-L245 PolarHBondContact O-N 2.94Å; Y241-I246 PolarHBondContact O-N 2.95Å
242	T	88.3	Confident	89.6	Confident	38 Å²	38	47.5 Å²	47.5	23%	0.233	25%	0.247	C	C	.	.	I	π-helix	trans	-64.5	-46	175.8	-57.5	0	0	0	0	111.3	P238 L239 F240 I246 I247	P238-T242 WeakPolarHBondContact O-CB 3.44Å; P238-T242 PolarHBondContact O-N 2.84Å; P238-T242 PolarHBondContact O-OG1 3.25Å; L239-T242 PolarHBondContact O-N 3.04Å; F240-T242 VanDerWaalsContact C-N 3.31Å; F240-T242 PolarHBondContact O-N 3.25Å; T242-I246 HydrophobicContact CG2-CD1 4.43Å; T242-I246 WeakPolarHBondContact O-CB 3.38Å; T242-I246 PolarHBondContact O-N 2.99Å; T242-I247 WeakPolarHBondContact O-CG1 3.48Å; T242-I247 PolarHBondContact O-N 3.13Å
243	L	90.3	Very high	89.2	Confident	82 Å²	82	47.8 Å²	47.8	43%	0.429	25%	0.25	S	C	.	.	I	π-helix	trans	-72.9	-39.7	-177.5	-67.6	177.5	0	0	0	113.2	L239 F240 I247 P248	L239-L243 HydrophobicContact CD1-CD1 4.2Å; L239-L243 HydrophobicContact CD1-CG 4.39Å; L239-L243 HydrophobicContact CG-CD1 4.18Å; L239-L243 WeakPolarHBondContact O-CG 3.32Å; L239-L243 PolarHBondContact O-N 3.39Å; F240-L243 PolarHBondContact O-N 3.44Å; L243-I247 HydrophobicContact CD2-CD1 3.61Å; L243-P248 WeakPolarHBondContact O-CD 3.45Å
244	F	87.9	Confident	88.9	Confident	125 Å²	125	50.9 Å²	50.9	55%	0.548	26%	0.261	S	S	.	.	I	π-helix	trans	-100.6	-18.7	-171.6	-64.2	-66	0	0	0	114.8	F240 P248	F240-F244 AromaticContact CD2-CD2 3.6Å; F240-F244 HydrophobicContact CD2-CD2 3.6Å; F240-F244 AromaticContact CD2-CE2 3.76Å; F240-F244 HydrophobicContact CD2-CE2 3.76Å; F240-F244 AromaticContact CE2-CD2 3.59Å; F240-F244 HydrophobicContact CE2-CD2 3.59Å; F240-F244 AromaticContact CE2-CE2 3.81Å; F240-F244 HydrophobicContact CE2-CE2 3.81Å; F240-F244 HydrophobicContact CG-CD2 4.21Å; F240-F244 HydrophobicContact CZ-CD2 4.21Å; F240-F244 VanDerWaalsContact O-CD2 3.29Å; F240-F244 WeakPolarHBondContact O-CD2 3.35Å; F240-F244 PolarHBondContact O-N 2.92Å; F244-P248 WeakPolarHBondContact O-CG 3.33Å
245	L	86.2	Confident	88.8	Confident	16 Å²	16	53.8 Å²	53.8	8%	0.084	28%	0.277	C	S	.	.	I	π-helix	trans	-109.3	-53.9	174.5	-57.5	-179.7	0	0	0	111.9	F165 Y241 C249 I287 I290	F165-L245 HydrophobicContact CE1-CD1 4.17Å; Y241-L245 HydrophobicContact CD1-CD1 3.73Å; Y241-L245 WeakPolarHBondContact O-CA 3.27Å; Y241-L245 VanDerWaalsContact O-CB 3.25Å; Y241-L245 WeakPolarHBondContact O-CB 3.24Å; Y241-L245 PolarHBondContact O-N 2.94Å; L245-C249 PolarHBondContact O-N 3.29Å; L245-C249 PolarHBondContact O-SG 2.89Å; L245-I287 HydrophobicContact CD2-CD1 4.42Å; L245-I287 HydrophobicContact CD2-CG1 4.21Å; L245-I290 HydrophobicContact CD1-CD1 4.42Å; L245-I290 HydrophobicContact CD2-CD1 4.48Å
246	I	86.1	Confident	88.6	Confident	16 Å²	16	52 Å²	52	8%	0.082	27%	0.269	C	S	.	.	I	π-helix	trans	-70.3	-49.1	-171.8	-57.3	179.9	0	0	0	111.7	P166 F167 Y241 T242 C249 L250 F462	P166-I246 HydrophobicContact CG-CD1 4.2Å; F167-I246 HydrophobicContact CE2-CD1 3.93Å; F167-I246 HydrophobicContact CZ-CD1 4.17Å; Y241-I246 PolarHBondContact O-N 2.95Å; T242-I246 HydrophobicContact CG2-CD1 4.43Å; T242-I246 WeakPolarHBondContact O-CB 3.38Å; T242-I246 PolarHBondContact O-N 2.99Å; I246-C249 PolarHBondContact O-N 3.4Å; I246-L250 HydrophobicContact CG2-CD1 3.93Å; I246-L250 HydrophobicContact CG2-CG 4.29Å; I246-L250 WeakPolarHBondContact O-CG 3.36Å; I246-L250 PolarHBondContact O-N 2.95Å; I246-F462 HydrophobicContact CD1-CE1 4.37Å; I246-F462 HydrophobicContact CG2-CE1 4.35Å; I246-F462 HydrophobicContact CG2-CZ 4.23Å
247	I	88.4	Confident	88.6	Confident	92 Å²	92	52.3 Å²	52.3	47%	0.472	27%	0.271	S	S	.	.	H	α-helix	trans	-59.7	-47.7	-178.2	-69.8	179.2	0	0	0	112.3	T242 L243 C249 L250 G251	T242-I247 WeakPolarHBondContact O-CG1 3.48Å; T242-I247 PolarHBondContact O-N 3.13Å; L243-I247 HydrophobicContact CD2-CD1 3.61Å; I247-C249 VanDerWaalsContact C-N 3.34Å; I247-C249 PolarHBondContact O-N 3.46Å; I247-L250 PolarHBondContact O-N 2.92Å; I247-G251 PolarHBondContact O-N 3.21Å
248	P	89.1	Confident	88.5	Confident	39 Å²	39	52.1 Å²	52.1	25%	0.253	27%	0.27	S	S	.	.	H	α-helix	trans	-60.2	-39.5	175.5	-28.7	38.4	0	0	0	113.4	L243 F244 G251 L252 F283	L243-P248 WeakPolarHBondContact O-CD 3.45Å; F244-P248 WeakPolarHBondContact O-CG 3.33Å; P248-G251 PolarHBondContact O-N 3.33Å; P248-L252 WeakPolarHBondContact O-CG 3.35Å; P248-L252 PolarHBondContact O-N 3.32Å; P248-F283 HydrophobicContact CB-CE1 4Å; P248-F283 HydrophobicContact CB-CZ 3.82Å
249	C	85.6	Confident	88.5	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-40.2	177.5	-66.4	0	0	0	0	112.4	L245 I246 I247 L252 S253 Y304 I308	L245-C249 PolarHBondContact O-N 3.29Å; L245-C249 PolarHBondContact O-SG 2.89Å; I246-C249 PolarHBondContact O-N 3.4Å; I247-C249 VanDerWaalsContact C-N 3.34Å; I247-C249 PolarHBondContact O-N 3.46Å; C249-L252 PolarHBondContact O-N 2.92Å; C249-S253 PolarHBondContact O-N 2.75Å; C249-Y304 HydrophobicContact CB-CE1 4.07Å; C249-I308 HydrophobicContact CB-CD1 4.48Å
250	L	87.8	Confident	88.5	Confident	63 Å²	63	45.5 Å²	45.5	33%	0.33	23%	0.234	S	C	.	.	H	α-helix	trans	-62.9	-42.9	171.8	-69.6	172.1	0	0	0	111	I246 I247 L252 S253 F254 T458	I246-L250 HydrophobicContact CG2-CD1 3.93Å; I246-L250 HydrophobicContact CG2-CG 4.29Å; I246-L250 WeakPolarHBondContact O-CG 3.36Å; I246-L250 PolarHBondContact O-N 2.95Å; I247-L250 PolarHBondContact O-N 2.92Å; L250-L252 PolarHBondContact O-N 3.2Å; L250-S253 PolarHBondContact O-N 2.82Å; L250-S253 PolarHBondContact O-OG 3.48Å; L250-F254 PolarHBondContact O-N 2.94Å; L250-T458 HydrophobicContact CD2-CG2 3.62Å
251	G	89.1	Confident	88.5	Confident	34 Å²	34	46.1 Å²	46.1	35%	0.351	23%	0.234	S	C	.	.	H	α-helix	trans	-58.7	-46.7	175	0	0	0	0	0	112.8	I247 P248 S253 F254 L255	I247-G251 PolarHBondContact O-N 3.21Å; P248-G251 PolarHBondContact O-N 3.33Å; G251-S253 PolarHBondContact O-N 2.88Å; G251-F254 WeakPolarHBondContact O-CB 3.26Å; G251-F254 PolarHBondContact O-N 3Å; G251-L255 WeakPolarHBondContact O-CG 3.03Å; G251-L255 PolarHBondContact O-N 3.49Å
252	L	86.3	Confident	88.5	Confident	14 Å²	14	47.2 Å²	47.2	7%	0.073	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-45.7	175.6	-71.4	176.8	0	0	0	111.4	P248 C249 L250 F254 L255 T256 L280 F283	P248-L252 WeakPolarHBondContact O-CG 3.35Å; P248-L252 PolarHBondContact O-N 3.32Å; C249-L252 PolarHBondContact O-N 2.92Å; L250-L252 PolarHBondContact O-N 3.2Å; L252-F254 VanDerWaalsContact C-N 3.25Å; L252-F254 PolarHBondContact O-N 3.39Å; L252-L255 HydrophobicContact CD2-CD1 4.44Å; L252-L255 PolarHBondContact O-N 2.8Å; L252-L255 VanDerWaalsContact O-N 3.14Å; L252-T256 WeakPolarHBondContact O-CG2 3.35Å; L252-T256 PolarHBondContact O-N 3.18Å; L252-T256 VanDerWaalsContact O-N 3.14Å; L252-L280 HydrophobicContact CD1-CD1 4.44Å; L252-F283 HydrophobicContact CD1-CD2 3.54Å; L252-F283 HydrophobicContact CD1-CE2 3.92Å; L252-F283 HydrophobicContact CD1-CG 4.39Å
253	S	86.7	Confident	88.5	Confident	8 Å²	8	48.2 Å²	48.2	6%	0.056	25%	0.249	C	C	.	.	H	α-helix	trans	-58.3	-38.4	176.6	79.2	0	0	0	0	112.1	C249 L250 G251 T256 Y304	C249-S253 PolarHBondContact O-N 2.75Å; L250-S253 PolarHBondContact O-N 2.82Å; L250-S253 PolarHBondContact O-OG 3.48Å; G251-S253 PolarHBondContact O-N 2.88Å; S253-T256 PolarHBondContact O-N 3.33Å; S253-T256 PolarHBondContact O-OG1 2.66Å; S253-Y304 PolarHBondContact OG-OH 3.21Å
254	F	88.8	Confident	88.1	Confident	124 Å²	124	44.9 Å²	44.9	54%	0.544	23%	0.232	S	C	.	.	H	α-helix	trans	-67.9	-42	176	177.9	-102.8	0	0	0	112.3	L250 G251 L252 T256 V257 L258	L250-F254 PolarHBondContact O-N 2.94Å; G251-F254 WeakPolarHBondContact O-CB 3.26Å; G251-F254 PolarHBondContact O-N 3Å; L252-F254 VanDerWaalsContact C-N 3.25Å; L252-F254 PolarHBondContact O-N 3.39Å; F254-T256 PolarHBondContact O-N 2.97Å; F254-V257 PolarHBondContact O-N 3.35Å; F254-V257 VanDerWaalsContact O-N 3.11Å; F254-L258 PolarHBondContact O-N 3.43Å
255	L	89.9	Confident	87.7	Confident	63 Å²	63	43.2 Å²	43.2	33%	0.33	23%	0.229	S	C	.	.	H	α-helix	trans	-59.3	-33.7	176.5	-69.8	177.1	0	0	0	112.2	G251 L252 V257 L258 V259 V276	G251-L255 WeakPolarHBondContact O-CG 3.03Å; G251-L255 PolarHBondContact O-N 3.49Å; L252-L255 HydrophobicContact CD2-CD1 4.44Å; L252-L255 PolarHBondContact O-N 2.8Å; L252-L255 VanDerWaalsContact O-N 3.14Å; L255-V257 VanDerWaalsContact C-N 3.31Å; L255-V257 PolarHBondContact O-N 2.69Å; L255-L258 HydrophobicContact CD2-CD2 4.07Å; L255-L258 WeakPolarHBondContact O-CB 3.26Å; L255-L258 PolarHBondContact O-N 3.05Å; L255-V259 WeakPolarHBondContact O-CG2 3.3Å; L255-V259 PolarHBondContact O-N 3.39Å; L255-V276 HydrophobicContact CB-CG2 3.98Å; L255-V276 HydrophobicContact CD1-CG2 4.47Å
256	T	87.3	Confident	87	Confident	4 Å²	4	49 Å²	49	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-36.5	176.1	69.7	0	0	0	0	113.4	L252 S253 F254 V276 F311 V312	L252-T256 WeakPolarHBondContact O-CG2 3.35Å; L252-T256 PolarHBondContact O-N 3.18Å; L252-T256 VanDerWaalsContact O-N 3.14Å; S253-T256 PolarHBondContact O-N 3.33Å; S253-T256 PolarHBondContact O-OG1 2.66Å; F254-T256 PolarHBondContact O-N 2.97Å; T256-V276 HydrophobicContact CG2-CG1 3.66Å; T256-F311 WeakPolarHBondContact OG1-CE1 3.5Å; T256-V312 HydrophobicContact CG2-CG2 3.37Å
257	V	91.1	Very high	86.6	Confident	9 Å²	9	50.8 Å²	50.8	6%	0.055	28%	0.278	C	S	.	.	H	α-helix	trans	-74.6	-36.3	177.3	-178.4	0	0	0	0	110	F254 L255 V259 F260 F311 L447 F450 L451	F254-V257 PolarHBondContact O-N 3.35Å; F254-V257 VanDerWaalsContact O-N 3.11Å; L255-V257 VanDerWaalsContact C-N 3.31Å; L255-V257 PolarHBondContact O-N 2.69Å; V257-V259 PolarHBondContact O-N 2.75Å; V257-F260 PolarHBondContact O-N 3.36Å; V257-F311 HydrophobicContact CG2-CE1 4.35Å; V257-L447 HydrophobicContact CG1-CG 4.38Å; V257-F450 HydrophobicContact CG2-CB 4.43Å; V257-L451 HydrophobicContact CG1-CB 3.94Å; V257-L451 HydrophobicContact CG1-CD1 4.17Å
258	L	90.4	Very high	86.5	Confident	70 Å²	70	51.7 Å²	51.7	37%	0.366	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-27.9	178.4	-169.9	65.3	0	0	0	112.9	F254 L255 F260 Y261 L262	F254-L258 PolarHBondContact O-N 3.43Å; L255-L258 HydrophobicContact CD2-CD2 4.07Å; L255-L258 WeakPolarHBondContact O-CB 3.26Å; L255-L258 PolarHBondContact O-N 3.05Å; L258-F260 PolarHBondContact O-N 3.09Å; L258-Y261 WeakPolarHBondContact O-CB 3.49Å; L258-Y261 PolarHBondContact O-N 3.31Å; L258-L262 PolarHBondContact O-N 2.86Å
259	V	90.8	Very high	86.4	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-35.2	175.3	177.2	0	0	0	0	112.2	L255 V257 Y261 L262 K269 L272 T319	L255-V259 WeakPolarHBondContact O-CG2 3.3Å; L255-V259 PolarHBondContact O-N 3.39Å; V257-V259 PolarHBondContact O-N 2.75Å; V259-Y261 VanDerWaalsContact C-N 3.28Å; V259-Y261 PolarHBondContact O-N 3.33Å; V259-L262 PolarHBondContact O-N 3.36Å; V259-K269 HydrophobicContact CG1-CG 3.81Å; V259-K269 WeakPolarHBondContact O-CE 3.43Å; V259-L272 HydrophobicContact CG2-CD2 3.87Å; V259-L272 HydrophobicContact CG2-CG 3.99Å; V259-T319 HydrophobicContact CG1-CG2 3.61Å
260	F	90.3	Very high	86.5	Confident	3 Å²	3	53.8 Å²	53.8	1%	0.013	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-11.6	178.3	-63.1	-66.6	0	0	0	113.8	V257 L258 S315 V318 T319 F446 L447 F450	V257-F260 PolarHBondContact O-N 3.36Å; L258-F260 PolarHBondContact O-N 3.09Å; F260-S315 VanDerWaalsContact CE2-OG 3.32Å; F260-S315 WeakPolarHBondContact CE2-OG 3.23Å; F260-S315 VanDerWaalsContact CZ-OG 3.25Å; F260-S315 WeakPolarHBondContact CZ-OG 3.34Å; F260-V318 HydrophobicContact CE1-CB 4.3Å; F260-V318 HydrophobicContact CE1-CG1 3.77Å; F260-V318 HydrophobicContact CZ-CB 4.34Å; F260-V318 HydrophobicContact CZ-CG1 4.15Å; F260-T319 HydrophobicContact CD1-CG2 4.16Å; F260-T319 HydrophobicContact CE1-CG2 3.57Å; F260-T319 HydrophobicContact CZ-CG2 4.05Å; F260-F446 HydrophobicContact CD1-CB 4.01Å; F260-F446 HydrophobicContact CE1-CB 3.98Å; F260-F446 HydrophobicContact CG-CB 4.39Å; F260-F446 HydrophobicContact CZ-CB 4.32Å; F260-L447 HydrophobicContact CB-CB 3.8Å; F260-L447 HydrophobicContact CB-CD1 4.46Å; F260-L447 HydrophobicContact CB-CG 4.38Å; F260-F450 HydrophobicContact CD2-CB 4.4Å; F260-F450 HydrophobicContact CD2-CG 4.33Å; F260-F450 HydrophobicContact CE2-CB 4.13Å; F260-F450 AromaticContact CE2-CD1 3.76Å; F260-F450 HydrophobicContact CE2-CD1 3.76Å; F260-F450 AromaticContact CE2-CD2 3.74Å; F260-F450 HydrophobicContact CE2-CD2 3.74Å; F260-F450 HydrophobicContact CE2-CE1 4.05Å; F260-F450 AromaticContact CE2-CE2 3.95Å; F260-F450 HydrophobicContact CE2-CE2 3.95Å; F260-F450 AromaticContact CE2-CG 3.61Å; F260-F450 HydrophobicContact CE2-CG 3.61Å; F260-F450 HydrophobicContact CE2-CZ 4.08Å; F260-F450 HydrophobicContact CZ-CD1 4.38Å; F260-F450 HydrophobicContact CZ-CD2 4.07Å; F260-F450 HydrophobicContact CZ-CE1 4.24Å; F260-F450 AromaticContact CZ-CE2 3.81Å; F260-F450 HydrophobicContact CZ-CE2 3.81Å; F260-F450 HydrophobicContact CZ-CG 4.32Å; F260-F450 AromaticContact CZ-CZ 3.88Å; F260-F450 HydrophobicContact CZ-CZ 3.88Å
261	Y	89.6	Confident	86.5	Confident	139 Å²	139	53.5 Å²	53.5	55%	0.545	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-24.5	173.1	-169.2	-97.1	0	0	0	112	L258 V259 L447	L258-Y261 WeakPolarHBondContact O-CB 3.49Å; L258-Y261 PolarHBondContact O-N 3.31Å; V259-Y261 VanDerWaalsContact C-N 3.28Å; V259-Y261 PolarHBondContact O-N 3.33Å; Y261-L447 HydrophobicContact CD2-CD1 3.97Å; Y261-L447 HydrophobicContact CG-CD1 4.46Å
262	L	88.9	Confident	86.5	Confident	50 Å²	50	54.5 Å²	54.5	26%	0.262	29%	0.289	S	S	.	.	S	Bend	trans	-73.3	130.8	-177.7	-165	73.1	0	0	0	111	L258 V259 E268 K269	L258-L262 PolarHBondContact O-N 2.86Å; V259-L262 PolarHBondContact O-N 3.36Å; L262-E268 HydrophobicContact CD2-CB 4.2Å; L262-K269 HydrophobicContact CD2-CB 4.15Å
263	P	87.3	Confident	86.5	Confident	60 Å²	60	54 Å²	54	39%	0.39	29%	0.287	S	S	.	.			trans	-64.4	144.1	177.7	27.5	-34.2	0	0	0	111.3	D265	P263-D265 PolarHBondContact O-N 3.04Å
264	S	82.9	Confident	86.5	Confident	12 Å²	12	56.8 Å²	56.8	8%	0.084	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	1.3	-178.6	-59.2	0	0	0	0	113.7	K269	S264-K269 PolarHBondContact OG-NZ 3.32Å
265	D	78.3	Confident	86.6	Confident	90 Å²	90	54 Å²	54	48%	0.481	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-26.6	-178.2	-74.1	-53.2	0	0	0	113.1	P263 H326 K436	P263-D265 PolarHBondContact O-N 3.04Å; D265-H326 IonicContact OD1-CE1 2.75Å; D265-H326 PolarHBondContact OD1-CE1 3.23Å; D265-H326 VanDerWaalsContact OD1-CE1 3.31Å; D265-H326 IonicContact OD1-NE2 3.73Å; D265-H326 PolarHBondContact OD1-NE2 3.06Å; D265-K436 IonicContact OD1-NZ 3.18Å; D265-K436 PolarHBondContact OD1-NZ 2.94Å
266	E	73.1	Confident	86.6	Confident	136 Å²	136	51.4 Å²	51.4	64%	0.636	29%	0.286	S	S	*	.	S	Bend	trans	-96.6	-1	-169.6	-63.8	-173.7	170.7	0	0	114.5	E268	E266-E268 PolarHBondContact O-N 3.05Å
267	G	77	Confident	86.6	Confident	55 Å²	55	53.6 Å²	53.6	57%	0.567	30%	0.298	S	S	*	.	S	Bend	trans	69.1	-20.9	179.1	0	0	0	0	0	115.8	K269 L270	G267-K269 PolarHBondContact O-N 2.83Å; G267-K269 VanDerWaalsContact O-N 3.12Å; G267-L270 PolarHBondContact O-N 2.98Å
268	E	86.1	Confident	86.5	Confident	110 Å²	110	57.4 Å²	57.4	51%	0.514	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-18.4	-179.3	-66.1	-55.5	148.2	0	0	114.3	L262 E266 L270 S271 L272	L262-E268 HydrophobicContact CD2-CB 4.2Å; E266-E268 PolarHBondContact O-N 3.05Å; E268-L270 VanDerWaalsContact C-N 3.3Å; E268-L270 PolarHBondContact O-N 3.32Å; E268-S271 WeakPolarHBondContact O-CB 3.38Å; E268-S271 PolarHBondContact O-N 3.44Å; E268-L272 PolarHBondContact O-N 3.05Å
269	K	87.9	Confident	86.5	Confident	2 Å²	2	56 Å²	56	1%	0.009	32%	0.317	C	S	.	.	H	α-helix	trans	-56.7	-41.2	178.6	-172	174.6	-179.5	176.5	0	112.9	V259 L262 S264 G267 S273 I323 D443	V259-K269 HydrophobicContact CG1-CG 3.81Å; V259-K269 WeakPolarHBondContact O-CE 3.43Å; L262-K269 HydrophobicContact CD2-CB 4.15Å; S264-K269 PolarHBondContact OG-NZ 3.32Å; G267-K269 PolarHBondContact O-N 2.83Å; G267-K269 VanDerWaalsContact O-N 3.12Å; K269-S273 WeakPolarHBondContact O-CB 3.34Å; K269-S273 PolarHBondContact O-N 2.98Å; K269-I323 HydrophobicContact CD-CD1 4.48Å; K269-I323 HydrophobicContact CD-CG1 4.48Å; K269-D443 IonicContact NZ-OD1 2.73Å; K269-D443 PolarHBondContact NZ-OD1 2.79Å; K269-D443 IonicContact NZ-OD2 3.38Å; K269-D443 PolarHBondContact NZ-OD2 3.44Å
270	L	86	Confident	86.2	Confident	82 Å²	82	56.2 Å²	56.2	43%	0.429	32%	0.318	S	S	.	.	H	α-helix	trans	-71.5	-42.7	178.8	-173.5	66.5	0	0	0	111	G267 E268 L272 S273 T274 V320	G267-L270 PolarHBondContact O-N 2.98Å; E268-L270 VanDerWaalsContact C-N 3.3Å; E268-L270 PolarHBondContact O-N 3.32Å; L270-L272 PolarHBondContact O-N 2.91Å; L270-S273 PolarHBondContact O-N 2.86Å; L270-T274 PolarHBondContact O-N 2.85Å; L270-T274 PolarHBondContact O-OG1 2.7Å; L270-T274 VanDerWaalsContact O-OG1 3.07Å; L270-V320 HydrophobicContact CD1-CG2 4.38Å
271	S	88.5	Confident	86	Confident	58 Å²	58	59 Å²	59	41%	0.406	34%	0.335	S	S	.	.	H	α-helix	trans	-58.3	-47.6	178.4	-179	0	0	0	0	112	E268 T274 S275	E268-S271 WeakPolarHBondContact O-CB 3.38Å; E268-S271 PolarHBondContact O-N 3.44Å; S271-T274 PolarHBondContact O-N 3.13Å; S271-T274 PolarHBondContact O-OG1 3.11Å; S271-S275 WeakPolarHBondContact O-CB 3.29Å; S271-S275 PolarHBondContact O-N 3.38Å; S271-S275 PolarHBondContact O-OG 3.37Å
272	L	89.1	Confident	85.9	Confident	54 Å²	54	56.2 Å²	56.2	28%	0.283	33%	0.332	S	S	.	.	H	α-helix	trans	-60.6	-47.2	175.4	-179.2	63.1	0	0	0	111.3	V259 E268 L270 T274 S275 V276	V259-L272 HydrophobicContact CG2-CD2 3.87Å; V259-L272 HydrophobicContact CG2-CG 3.99Å; E268-L272 PolarHBondContact O-N 3.05Å; L270-L272 PolarHBondContact O-N 2.91Å; L272-T274 PolarHBondContact O-N 2.93Å; L272-S275 PolarHBondContact O-N 3.42Å; L272-V276 HydrophobicContact CD1-CG2 4.4Å; L272-V276 WeakPolarHBondContact O-CG2 3.4Å; L272-V276 PolarHBondContact O-N 3.05Å
273	S	86.6	Confident	85.7	Confident	4 Å²	4	56.5 Å²	56.5	3%	0.028	33%	0.332	C	S	.	.	H	α-helix	trans	-62.7	-39.3	-178.7	-161.4	0	0	0	0	112.9	K269 L270 L277 I316	K269-S273 WeakPolarHBondContact O-CB 3.34Å; K269-S273 PolarHBondContact O-N 2.98Å; L270-S273 PolarHBondContact O-N 2.86Å; S273-L277 PolarHBondContact O-N 3.13Å; S273-I316 WeakPolarHBondContact OG-CG1 3.49Å
274	T	87.2	Confident	85.4	Confident	66 Å²	66	56.2 Å²	56.2	41%	0.405	33%	0.327	S	S	.	.	H	α-helix	trans	-70.3	-38	175.5	48.1	0	0	0	0	112.4	L270 S271 L272 V276 L277 V278	L270-T274 PolarHBondContact O-N 2.85Å; L270-T274 PolarHBondContact O-OG1 2.7Å; L270-T274 VanDerWaalsContact O-OG1 3.07Å; S271-T274 PolarHBondContact O-N 3.13Å; S271-T274 PolarHBondContact O-OG1 3.11Å; L272-T274 PolarHBondContact O-N 2.93Å; T274-V276 VanDerWaalsContact C-N 3.34Å; T274-V276 PolarHBondContact O-N 2.85Å; T274-L277 PolarHBondContact O-N 3.01Å; T274-V278 WeakPolarHBondContact O-CG2 3.42Å; T274-V278 PolarHBondContact O-N 2.84Å
275	S	90.5	Very high	85.5	Confident	67 Å²	67	60.6 Å²	60.6	47%	0.469	35%	0.349	S	S	.	.	H	α-helix	trans	-65.5	-39	179.5	-59.7	0	0	0	0	111.7	S271 L272 V278 S279	S271-S275 WeakPolarHBondContact O-CB 3.29Å; S271-S275 PolarHBondContact O-N 3.38Å; S271-S275 PolarHBondContact O-OG 3.37Å; L272-S275 PolarHBondContact O-N 3.42Å; S275-V278 PolarHBondContact O-N 3.44Å; S275-S279 WeakPolarHBondContact O-CB 3.38Å; S275-S279 PolarHBondContact O-N 3.46Å
276	V	89.4	Confident	85.8	Confident	7 Å²	7	59.1 Å²	59.1	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-65	-40.4	175.2	173.9	0	0	0	0	111.6	L255 T256 L272 T274 S279 L280 V312	L255-V276 HydrophobicContact CB-CG2 3.98Å; L255-V276 HydrophobicContact CD1-CG2 4.47Å; T256-V276 HydrophobicContact CG2-CG1 3.66Å; L272-V276 HydrophobicContact CD1-CG2 4.4Å; L272-V276 WeakPolarHBondContact O-CG2 3.4Å; L272-V276 PolarHBondContact O-N 3.05Å; T274-V276 VanDerWaalsContact C-N 3.34Å; T274-V276 PolarHBondContact O-N 2.85Å; V276-S279 PolarHBondContact O-N 2.9Å; V276-L280 WeakPolarHBondContact O-CB 3.35Å; V276-L280 PolarHBondContact O-N 2.67Å; V276-V312 HydrophobicContact CG1-CG2 4.48Å
277	L	86.6	Confident	86.2	Confident	51 Å²	51	53 Å²	53	27%	0.267	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-48.9	175.4	179.4	68.5	0	0	0	111.8	S273 T274 S279 L280 T281 V312 T313 I316	S273-L277 PolarHBondContact O-N 3.13Å; T274-L277 PolarHBondContact O-N 3.01Å; L277-S279 VanDerWaalsContact C-N 3.35Å; L277-S279 PolarHBondContact O-N 3.39Å; L277-L280 PolarHBondContact O-N 3Å; L277-T281 WeakPolarHBondContact O-CG2 3.33Å; L277-T281 PolarHBondContact O-N 2.97Å; L277-T281 PolarHBondContact O-OG1 2.72Å; L277-V312 HydrophobicContact CB-CG1 3.97Å; L277-V312 HydrophobicContact CD1-CG1 3.72Å; L277-V312 HydrophobicContact CG-CG1 4.44Å; L277-T313 HydrophobicContact CD1-CG2 4.48Å; L277-I316 HydrophobicContact CB-CD1 4Å; L277-I316 HydrophobicContact CD1-CD1 4.4Å; L277-I316 HydrophobicContact CD2-CD1 3.78Å; L277-I316 HydrophobicContact CG-CD1 4.27Å
278	V	90.4	Very high	86.2	Confident	89 Å²	89	57 Å²	57	54%	0.539	32%	0.318	S	S	.	.	H	α-helix	trans	-60.8	-46.3	179.2	173.9	0	0	0	0	110.5	T274 S275 L280 T281 V282	T274-V278 WeakPolarHBondContact O-CG2 3.42Å; T274-V278 PolarHBondContact O-N 2.84Å; S275-V278 PolarHBondContact O-N 3.44Å; V278-L280 VanDerWaalsContact C-N 3.33Å; V278-L280 PolarHBondContact O-N 3.46Å; V278-T281 WeakPolarHBondContact CA-OG1 3.28Å; V278-T281 PolarHBondContact O-N 3.3Å; V278-T281 PolarHBondContact O-OG1 3.18Å; V278-V282 WeakPolarHBondContact O-CG2 3.4Å; V278-V282 PolarHBondContact O-N 3.1Å
279	S	89.4	Confident	86.1	Confident	40 Å²	40	58.4 Å²	58.4	28%	0.28	33%	0.325	S	S	.	.	H	α-helix	trans	-58.3	-45	177	-176.1	0	0	0	0	111.8	S275 V276 L277 T281 V282 F283	S275-S279 WeakPolarHBondContact O-CB 3.38Å; S275-S279 PolarHBondContact O-N 3.46Å; V276-S279 PolarHBondContact O-N 2.9Å; L277-S279 VanDerWaalsContact C-N 3.35Å; L277-S279 PolarHBondContact O-N 3.39Å; S279-T281 PolarHBondContact O-N 3.23Å; S279-V282 PolarHBondContact O-N 3.3Å; S279-F283 VanDerWaalsContact O-CD2 3.25Å; S279-F283 WeakPolarHBondContact O-CD2 3.47Å; S279-F283 PolarHBondContact O-N 2.9Å
280	L	85.6	Confident	85.8	Confident	5 Å²	5	61.1 Å²	61.1	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-59.5	-44	176.4	-176.6	73.2	0	0	0	112.2	L252 V276 L277 V278 V282 F283 L284 L305 I308 M309 V312	L252-L280 HydrophobicContact CD1-CD1 4.44Å; V276-L280 WeakPolarHBondContact O-CB 3.35Å; V276-L280 PolarHBondContact O-N 2.67Å; L277-L280 PolarHBondContact O-N 3Å; V278-L280 VanDerWaalsContact C-N 3.33Å; V278-L280 PolarHBondContact O-N 3.46Å; L280-V282 VanDerWaalsContact C-N 3.32Å; L280-V282 PolarHBondContact O-N 2.92Å; L280-F283 PolarHBondContact O-N 2.93Å; L280-L284 PolarHBondContact O-N 3.19Å; L280-L305 HydrophobicContact CD1-CD2 4.22Å; L280-I308 HydrophobicContact CD1-CB 4.2Å; L280-I308 HydrophobicContact CD1-CG2 3.67Å; L280-I308 HydrophobicContact CD2-CB 4.41Å; L280-I308 HydrophobicContact CD2-CG2 3.79Å; L280-I308 HydrophobicContact CG-CG2 4.38Å; L280-M309 HydrophobicContact CD2-CB 3.93Å; L280-M309 HydrophobicContact CD2-CG 4.45Å; L280-V312 HydrophobicContact CD2-CB 4.46Å; L280-V312 HydrophobicContact CD2-CG2 4.05Å
281	T	85.1	Confident	85.4	Confident	61 Å²	61	58.1 Å²	58.1	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-37.7	178.6	55.7	0	0	0	0	112.4	L277 V278 S279 L284 L285	L277-T281 WeakPolarHBondContact O-CG2 3.33Å; L277-T281 PolarHBondContact O-N 2.97Å; L277-T281 PolarHBondContact O-OG1 2.72Å; V278-T281 WeakPolarHBondContact CA-OG1 3.28Å; V278-T281 PolarHBondContact O-N 3.3Å; V278-T281 PolarHBondContact O-OG1 3.18Å; S279-T281 PolarHBondContact O-N 3.23Å; T281-L284 PolarHBondContact O-N 3.28Å; T281-L285 WeakPolarHBondContact O-CG 3.26Å; T281-L285 PolarHBondContact O-N 3.36Å; T281-L285 VanDerWaalsContact O-N 3.16Å
282	V	88.8	Confident	84.8	Confident	81 Å²	81	56 Å²	56	49%	0.491	31%	0.308	S	S	.	.	H	α-helix	trans	-65.8	-44.8	174.8	173.4	0	0	0	0	111	V278 S279 L280 L284 L285 V286	V278-V282 WeakPolarHBondContact O-CG2 3.4Å; V278-V282 PolarHBondContact O-N 3.1Å; S279-V282 PolarHBondContact O-N 3.3Å; L280-V282 VanDerWaalsContact C-N 3.32Å; L280-V282 PolarHBondContact O-N 2.92Å; V282-L284 VanDerWaalsContact C-N 3.29Å; V282-L284 PolarHBondContact O-N 3.41Å; V282-L285 PolarHBondContact O-N 3.27Å; V282-V286 WeakPolarHBondContact O-CG2 3.46Å; V282-V286 PolarHBondContact O-N 2.83Å; V282-V286 VanDerWaalsContact O-N 3.12Å
283	F	83.6	Confident	83.8	Confident	56 Å²	56	59.7 Å²	59.7	25%	0.246	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-35.1	176.5	-85.7	-72.2	0	0	0	112.9	P248 L252 S279 L280 V286 I287	P248-F283 HydrophobicContact CB-CE1 4Å; P248-F283 HydrophobicContact CB-CZ 3.82Å; L252-F283 HydrophobicContact CD1-CD2 3.54Å; L252-F283 HydrophobicContact CD1-CE2 3.92Å; L252-F283 HydrophobicContact CD1-CG 4.39Å; S279-F283 VanDerWaalsContact O-CD2 3.25Å; S279-F283 WeakPolarHBondContact O-CD2 3.47Å; S279-F283 PolarHBondContact O-N 2.9Å; L280-F283 PolarHBondContact O-N 2.93Å; F283-V286 PolarHBondContact O-N 3.41Å; F283-I287 WeakPolarHBondContact O-CG1 3.5Å; F283-I287 PolarHBondContact O-N 2.98Å; F283-I287 VanDerWaalsContact O-N 3.15Å
284	L	81.4	Confident	83.1	Confident	55 Å²	55	61.3 Å²	61.3	29%	0.288	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-43.9	174.8	-176.8	66	0	0	0	111.6	L280 T281 V282 V286 I287 E288 L305 M309	L280-L284 PolarHBondContact O-N 3.19Å; T281-L284 PolarHBondContact O-N 3.28Å; V282-L284 VanDerWaalsContact C-N 3.29Å; V282-L284 PolarHBondContact O-N 3.41Å; L284-V286 VanDerWaalsContact C-N 3.35Å; L284-V286 PolarHBondContact O-N 3.39Å; L284-I287 PolarHBondContact O-N 3.31Å; L284-E288 PolarHBondContact O-N 3.32Å; L284-L305 HydrophobicContact CD1-CB 4.02Å; L284-L305 HydrophobicContact CD1-CD1 3.95Å; L284-M309 HydrophobicContact CD2-SD 4.42Å
285	L	84.6	Confident	82.2	Confident	104 Å²	104	64.1 Å²	64.1	55%	0.545	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-42.3	176.5	-68.8	173.8	0	0	0	112	T281 V282 I287 E288 E289	T281-L285 WeakPolarHBondContact O-CG 3.26Å; T281-L285 PolarHBondContact O-N 3.36Å; T281-L285 VanDerWaalsContact O-N 3.16Å; V282-L285 PolarHBondContact O-N 3.27Å; L285-I287 VanDerWaalsContact C-N 3.27Å; L285-I287 PolarHBondContact O-N 3.01Å; L285-E288 PolarHBondContact O-N 3.12Å; L285-E289 PolarHBondContact O-N 3.09Å; L285-E289 VanDerWaalsContact O-N 3.12Å
286	V	85.6	Confident	81.2	Confident	59 Å²	59	68.9 Å²	68.9	36%	0.358	38%	0.384	S	S	.	.	H	α-helix	trans	-60.1	-39.2	176.1	172.6	0	0	0	0	111.4	V282 F283 L284 E289 I290	V282-V286 WeakPolarHBondContact O-CG2 3.46Å; V282-V286 PolarHBondContact O-N 2.83Å; V282-V286 VanDerWaalsContact O-N 3.12Å; F283-V286 PolarHBondContact O-N 3.41Å; L284-V286 VanDerWaalsContact C-N 3.35Å; L284-V286 PolarHBondContact O-N 3.39Å; V286-E289 PolarHBondContact O-N 3.24Å; V286-I290 HydrophobicContact CG1-CD1 4.06Å; V286-I290 WeakPolarHBondContact O-CG1 3.27Å; V286-I290 PolarHBondContact O-N 3.44Å
287	I	81.8	Confident	80.6	Confident	8 Å²	8	71.1 Å²	71.1	4%	0.041	40%	0.398	C	S	.	.	H	α-helix	trans	-73.8	-34.9	-178.8	-73	173.5	0	0	0	111.8	L245 F283 L284 L285 E289 I290 I291 I301 L305	L245-I287 HydrophobicContact CD2-CD1 4.42Å; L245-I287 HydrophobicContact CD2-CG1 4.21Å; F283-I287 WeakPolarHBondContact O-CG1 3.5Å; F283-I287 PolarHBondContact O-N 2.98Å; F283-I287 VanDerWaalsContact O-N 3.15Å; L284-I287 PolarHBondContact O-N 3.31Å; L285-I287 VanDerWaalsContact C-N 3.27Å; L285-I287 PolarHBondContact O-N 3.01Å; I287-E289 VanDerWaalsContact C-N 3.26Å; I287-E289 PolarHBondContact O-N 3.35Å; I287-I290 PolarHBondContact O-N 3.42Å; I287-I291 HydrophobicContact CG2-CD1 3.6Å; I287-I291 HydrophobicContact CG2-CG1 4.3Å; I287-I291 WeakPolarHBondContact O-CG1 3.45Å; I287-I291 PolarHBondContact O-N 2.97Å; I287-I291 VanDerWaalsContact O-N 3.13Å; I287-I301 HydrophobicContact CD1-CG1 4.19Å; I287-L305 HydrophobicContact CB-CD1 4.15Å; I287-L305 HydrophobicContact CD1-CD1 3.38Å; I287-L305 HydrophobicContact CD1-CD2 4.4Å; I287-L305 HydrophobicContact CD1-CG 4.4Å; I287-L305 HydrophobicContact CG1-CD1 4.32Å; I287-L305 HydrophobicContact CG2-CD1 3.95Å
288	E	77.2	Confident	80.3	Confident	139 Å²	139	74.2 Å²	74.2	65%	0.65	41%	0.413	S	S	*	.	H	α-helix	trans	-62.5	-32.5	171.1	-173.9	179.9	174.3	0	0	112.3	L284 L285	L284-E288 PolarHBondContact O-N 3.32Å; L285-E288 PolarHBondContact O-N 3.12Å
289	E	82.9	Confident	80	Confident	138 Å²	138	70.8 Å²	70.8	65%	0.645	39%	0.393	S	S	*	.	H	α-helix	trans	-69.8	-34.8	177.7	-74.2	-173.3	167.4	0	0	113.5	K76 L285 V286 I287	K76-E289 PolarHBondContact NZ-O 3.43Å; K76-E289 VanDerWaalsContact NZ-O 3.09Å; L285-E289 PolarHBondContact O-N 3.09Å; L285-E289 VanDerWaalsContact O-N 3.12Å; V286-E289 PolarHBondContact O-N 3.24Å; I287-E289 VanDerWaalsContact C-N 3.26Å; I287-E289 PolarHBondContact O-N 3.35Å
290	I	80.8	Confident	79.7	Confident	59 Å²	59	69.8 Å²	69.8	30%	0.303	38%	0.384	S	S	.	.	H	α-helix	trans	-81.3	-42.1	-175.6	-62.6	164.8	0	0	0	111.6	L245 V286 I287	L245-I290 HydrophobicContact CD1-CD1 4.42Å; L245-I290 HydrophobicContact CD2-CD1 4.48Å; V286-I290 HydrophobicContact CG1-CD1 4.06Å; V286-I290 WeakPolarHBondContact O-CG1 3.27Å; V286-I290 PolarHBondContact O-N 3.44Å; I287-I290 PolarHBondContact O-N 3.42Å
291	I	79.2	Confident	79.6	Confident	20 Å²	20	69.9 Å²	69.9	10%	0.103	39%	0.385	C	S	.	.	S	Bend	trans	-85.8	141.4	-172.9	-60	179.8	0	0	0	110.3	V162 I287 P299 I301	V162-I291 HydrophobicContact CG2-CG2 4.28Å; I287-I291 HydrophobicContact CG2-CD1 3.6Å; I287-I291 HydrophobicContact CG2-CG1 4.3Å; I287-I291 WeakPolarHBondContact O-CG1 3.45Å; I287-I291 PolarHBondContact O-N 2.97Å; I287-I291 VanDerWaalsContact O-N 3.13Å; I291-P299 HydrophobicContact CD1-CB 4.15Å; I291-P299 HydrophobicContact CD1-CG 3.85Å; I291-P299 HydrophobicContact CG2-CG 3.64Å; I291-I301 HydrophobicContact CD1-CG2 3.71Å
292	P	75.1	Confident	79.5	Confident	14 Å²	14	67.7 Å²	67.7	9%	0.091	37%	0.374	C	S	.	.			trans	-55.7	142.3	171.5	18.7	-30.8	0	0	0	112.8	E75 V162 S294	E75-P292 HydrophobicContact CB-CG 4.4Å; E75-P292 WeakPolarHBondContact O-CB 3.21Å; E75-P292 WeakPolarHBondContact O-CG 3.32Å; V162-P292 HydrophobicContact CG1-CG 3.96Å; V162-P292 HydrophobicContact CG2-CG 4.34Å; P292-S294 PolarHBondContact O-N 3.27Å
293	S	69.3	Low	79.3	Confident	130 Å²	130	69 Å²	69	91%	0.909	37%	0.374	S	S	*	.			trans	-74.2	63.9	169.1	51	0	0	0	0	111.5
294	S	71.2	Confident	79.4	Confident	38 Å²	38	66.3 Å²	66.3	27%	0.266	36%	0.363	S	S	.	.			trans	-101	128.2	175.7	-177.1	0	0	0	0	110.6	P292 K296	P292-S294 PolarHBondContact O-N 3.27Å; S294-K296 VanDerWaalsContact C-N 3.33Å; S294-K296 PolarHBondContact OG-N 3.32Å
295	S	67.3	Low	79.5	Confident	126 Å²	126	63.8 Å²	63.8	88%	0.881	35%	0.349	S	S	*	.	S	Bend	trans	-86.4	-2.4	173.3	58.6	0	0	0	0	113.6
296	K	70.7	Confident	79.5	Confident	167 Å²	167	62.4 Å²	62.4	73%	0.726	34%	0.342	S	S	*	.	S	Bend	trans	-67.1	-41	-176.1	-70.4	-176.3	178.8	176	0	112.1	S294	S294-K296 VanDerWaalsContact C-N 3.33Å; S294-K296 PolarHBondContact OG-N 3.32Å
297	V	76.9	Confident	79.6	Confident	53 Å²	53	62.2 Å²	62.2	32%	0.321	34%	0.337	S	S	.	.			trans	-148.5	138.7	-177.5	-69	0	0	0	0	109
298	I	78.7	Confident	79.8	Confident	117 Å²	117	61.9 Å²	61.9	60%	0.6	34%	0.335	S	S	*	.			trans	-88.5	126.3	171.9	-60.2	171.8	0	0	0	107.1
299	P	84.9	Confident	80.2	Confident	16 Å²	16	58.3 Å²	58.3	10%	0.104	32%	0.319	C	S	.	.			trans	-59.5	146.8	175.5	-15.9	23.6	0	0	0	111.6	V162 I291 I301 G302 E303	V162-P299 HydrophobicContact CG2-CG 3.96Å; I291-P299 HydrophobicContact CD1-CB 4.15Å; I291-P299 HydrophobicContact CD1-CG 3.85Å; I291-P299 HydrophobicContact CG2-CG 3.64Å; P299-I301 HydrophobicContact CB-CG2 3.94Å; P299-I301 PolarHBondContact O-N 3.15Å; P299-G302 WeakPolarHBondContact O-CA 3.3Å; P299-G302 PolarHBondContact O-N 3.36Å; P299-E303 PolarHBondContact O-N 3.42Å
300	L	84.1	Confident	80.5	Confident	20 Å²	20	57 Å²	57	11%	0.105	32%	0.315	C	S	.	.	H	α-helix	trans	-55.9	-37.8	177.1	-168.7	71.9	0	0	0	113.1	T163 G302 E303 Y304 I461 A465	T163-L300 WeakPolarHBondContact O-CB 3.49Å; T163-L300 PolarHBondContact O-N 3.47Å; L300-G302 VanDerWaalsContact C-N 3.29Å; L300-G302 PolarHBondContact O-N 2.8Å; L300-E303 PolarHBondContact O-N 3.4Å; L300-Y304 PolarHBondContact O-N 3.19Å; L300-I461 HydrophobicContact CD1-CG2 3.67Å; L300-I461 WeakPolarHBondContact CD1-O 3.5Å; L300-I461 HydrophobicContact CD2-CG2 4.47Å; L300-I461 VanDerWaalsContact CD2-O 3.28Å; L300-I461 WeakPolarHBondContact CD2-O 3.37Å; L300-I461 HydrophobicContact CG-CG2 3.76Å; L300-A465 HydrophobicContact CD2-CB 3.4Å
301	I	83.1	Confident	80.8	Confident	7 Å²	7	55 Å²	55	4%	0.036	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-35.8	174.7	-172.3	62	0	0	0	111.8	F165 I287 I291 P299 Y304 L305	F165-I301 HydrophobicContact CD1-CG2 4.15Å; I287-I301 HydrophobicContact CD1-CG1 4.19Å; I291-I301 HydrophobicContact CD1-CG2 3.71Å; P299-I301 HydrophobicContact CB-CG2 3.94Å; P299-I301 PolarHBondContact O-N 3.15Å; I301-Y304 HydrophobicContact CD1-CD1 4.4Å; I301-Y304 PolarHBondContact O-N 2.97Å; I301-L305 HydrophobicContact CG1-CD1 4.32Å; I301-L305 VanDerWaalsContact O-CG 3.26Å; I301-L305 WeakPolarHBondContact O-CG 3.14Å; I301-L305 PolarHBondContact O-N 3.18Å
302	G	82.3	Confident	81.2	Confident	14 Å²	14	54.1 Å²	54.1	14%	0.144	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-43.5	175	0	0	0	0	0	111.8	P299 L300 Y304 L305 L306	P299-G302 WeakPolarHBondContact O-CA 3.3Å; P299-G302 PolarHBondContact O-N 3.36Å; L300-G302 VanDerWaalsContact C-N 3.29Å; L300-G302 PolarHBondContact O-N 2.8Å; G302-Y304 VanDerWaalsContact C-N 3.31Å; G302-Y304 PolarHBondContact O-N 3.17Å; G302-L305 PolarHBondContact O-N 3.49Å; G302-L306 WeakPolarHBondContact O-CG 3.25Å; G302-L306 PolarHBondContact O-N 3.47Å
303	E	84.5	Confident	81.8	Confident	108 Å²	108	56.4 Å²	56.4	51%	0.505	31%	0.314	S	S	.	.	H	α-helix	trans	-59.7	-42.6	173.3	-171.5	178.9	174.8	0	0	111.6	P299 L300 L306 F307	P299-E303 PolarHBondContact O-N 3.42Å; L300-E303 PolarHBondContact O-N 3.4Å; E303-L306 PolarHBondContact O-N 3.41Å; E303-F307 WeakPolarHBondContact O-CB 3.42Å; E303-F307 PolarHBondContact O-N 3.4Å
304	Y	86	Confident	82.9	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-43.3	176.6	-173.6	-119.2	0	0	0	113.1	C249 S253 L300 I301 G302 F307 I308 I461 F462	C249-Y304 HydrophobicContact CB-CE1 4.07Å; S253-Y304 PolarHBondContact OG-OH 3.21Å; L300-Y304 PolarHBondContact O-N 3.19Å; I301-Y304 HydrophobicContact CD1-CD1 4.4Å; I301-Y304 PolarHBondContact O-N 2.97Å; G302-Y304 VanDerWaalsContact C-N 3.31Å; G302-Y304 PolarHBondContact O-N 3.17Å; Y304-F307 HydrophobicContact CD2-CD1 4.44Å; Y304-F307 HydrophobicContact CE2-CD1 4.4Å; Y304-F307 WeakPolarHBondContact O-CB 3.37Å; Y304-F307 PolarHBondContact O-N 3.37Å; Y304-I308 HydrophobicContact CD1-CD1 3.69Å; Y304-I308 HydrophobicContact CE1-CD1 3.23Å; Y304-I308 HydrophobicContact CE1-CG1 4.18Å; Y304-I308 HydrophobicContact CE2-CD1 4.18Å; Y304-I308 HydrophobicContact CE2-CG1 4.27Å; Y304-I308 HydrophobicContact CG-CD1 4.33Å; Y304-I308 VanDerWaalsContact CZ-CD1 3.48Å; Y304-I308 WeakPolarHBondContact O-CG1 3.44Å; Y304-I308 PolarHBondContact O-N 2.85Å; Y304-I461 HydrophobicContact CD2-CD1 3.94Å; Y304-I461 HydrophobicContact CD2-CG2 4.38Å; Y304-F462 AromaticContact CD1-CE2 3.86Å; Y304-F462 HydrophobicContact CD1-CE2 3.86Å; Y304-F462 AromaticContact CD1-CZ 3.88Å; Y304-F462 HydrophobicContact CD1-CZ 3.88Å; Y304-F462 AromaticContact CD2-CE2 3.85Å; Y304-F462 HydrophobicContact CD2-CE2 3.85Å; Y304-F462 AromaticContact CE1-CE2 3.92Å; Y304-F462 HydrophobicContact CE1-CE2 3.92Å; Y304-F462 HydrophobicContact CE1-CZ 4.21Å; Y304-F462 AromaticContact CE2-CE2 3.95Å; Y304-F462 HydrophobicContact CE2-CE2 3.95Å; Y304-F462 AromaticContact CG-CE2 3.83Å; Y304-F462 HydrophobicContact CG-CE2 3.83Å; Y304-F462 HydrophobicContact CG-CZ 4.07Å
305	L	82.9	Confident	83.8	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-68	-39.3	178.1	-68.7	164.3	0	0	0	112.3	L280 L284 I287 I301 G302 F307 I308 M309	L280-L305 HydrophobicContact CD1-CD2 4.22Å; L284-L305 HydrophobicContact CD1-CB 4.02Å; L284-L305 HydrophobicContact CD1-CD1 3.95Å; I287-L305 HydrophobicContact CB-CD1 4.15Å; I287-L305 HydrophobicContact CD1-CD1 3.38Å; I287-L305 HydrophobicContact CD1-CD2 4.4Å; I287-L305 HydrophobicContact CD1-CG 4.4Å; I287-L305 HydrophobicContact CG1-CD1 4.32Å; I287-L305 HydrophobicContact CG2-CD1 3.95Å; I301-L305 HydrophobicContact CG1-CD1 4.32Å; I301-L305 VanDerWaalsContact O-CG 3.26Å; I301-L305 WeakPolarHBondContact O-CG 3.14Å; I301-L305 PolarHBondContact O-N 3.18Å; G302-L305 PolarHBondContact O-N 3.49Å; L305-F307 VanDerWaalsContact C-N 3.31Å; L305-I308 PolarHBondContact O-N 3Å; L305-M309 WeakPolarHBondContact O-CB 3.41Å; L305-M309 PolarHBondContact O-N 3.21Å
306	L	84.3	Confident	84.8	Confident	75 Å²	75	48.2 Å²	48.2	39%	0.393	25%	0.247	S	C	.	.	H	α-helix	trans	-61.6	-42.4	173.1	-73	174.8	0	0	0	110.9	G302 E303 M309 I310	G302-L306 WeakPolarHBondContact O-CG 3.25Å; G302-L306 PolarHBondContact O-N 3.47Å; E303-L306 PolarHBondContact O-N 3.41Å; L306-M309 HydrophobicContact CD2-CE 3.68Å; L306-M309 PolarHBondContact O-N 3.39Å; L306-I310 WeakPolarHBondContact O-CG1 3.2Å; L306-I310 PolarHBondContact O-N 2.83Å
307	F	88.1	Confident	85.8	Confident	56 Å²	56	46.1 Å²	46.1	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-58.3	-49.5	172.8	171.5	-100.9	0	0	0	111.6	E303 Y304 L305 M309 I310 F311 V453 I461	E303-F307 WeakPolarHBondContact O-CB 3.42Å; E303-F307 PolarHBondContact O-N 3.4Å; Y304-F307 HydrophobicContact CD2-CD1 4.44Å; Y304-F307 HydrophobicContact CE2-CD1 4.4Å; Y304-F307 WeakPolarHBondContact O-CB 3.37Å; Y304-F307 PolarHBondContact O-N 3.37Å; L305-F307 VanDerWaalsContact C-N 3.31Å; F307-M309 VanDerWaalsContact C-N 3.3Å; F307-M309 PolarHBondContact O-N 2.62Å; F307-I310 PolarHBondContact O-N 3.3Å; F307-F311 WeakPolarHBondContact O-CB 3.43Å; F307-F311 PolarHBondContact O-N 3.49Å; F307-V453 HydrophobicContact CE2-CG1 4.26Å; F307-V453 HydrophobicContact CZ-CG1 3.92Å; F307-I461 HydrophobicContact CB-CD1 4.15Å; F307-I461 HydrophobicContact CD1-CD1 4.31Å; F307-I461 HydrophobicContact CG-CD1 4.17Å
308	I	86.4	Confident	86.5	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-39.8	176.7	-64.5	164.5	0	0	0	110.9	C249 L280 Y304 L305 F311 V312	C249-I308 HydrophobicContact CB-CD1 4.48Å; L280-I308 HydrophobicContact CD1-CB 4.2Å; L280-I308 HydrophobicContact CD1-CG2 3.67Å; L280-I308 HydrophobicContact CD2-CB 4.41Å; L280-I308 HydrophobicContact CD2-CG2 3.79Å; L280-I308 HydrophobicContact CG-CG2 4.38Å; Y304-I308 HydrophobicContact CD1-CD1 3.69Å; Y304-I308 HydrophobicContact CE1-CD1 3.23Å; Y304-I308 HydrophobicContact CE1-CG1 4.18Å; Y304-I308 HydrophobicContact CE2-CD1 4.18Å; Y304-I308 HydrophobicContact CE2-CG1 4.27Å; Y304-I308 HydrophobicContact CG-CD1 4.33Å; Y304-I308 VanDerWaalsContact CZ-CD1 3.48Å; Y304-I308 WeakPolarHBondContact O-CG1 3.44Å; Y304-I308 PolarHBondContact O-N 2.85Å; L305-I308 PolarHBondContact O-N 3Å; I308-F311 CarbonylContact O-C 3.57Å; I308-F311 WeakPolarHBondContact O-CB 3.34Å; I308-F311 PolarHBondContact O-N 3Å; I308-V312 HydrophobicContact CG2-CG2 3.89Å; I308-V312 WeakPolarHBondContact O-CB 3.43Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.15Å; I308-V312 PolarHBondContact O-N 3.14Å
309	M	85.5	Confident	87.1	Confident	64 Å²	64	38.8 Å²	38.8	32%	0.315	20%	0.203	S	C	.	.	H	α-helix	trans	-63.8	-47.2	-179.4	-175.2	-177.8	67.3	0	0	111.9	L280 L284 L305 L306 F307 F311 V312 T313	L280-M309 HydrophobicContact CD2-CB 3.93Å; L280-M309 HydrophobicContact CD2-CG 4.45Å; L284-M309 HydrophobicContact CD2-SD 4.42Å; L305-M309 WeakPolarHBondContact O-CB 3.41Å; L305-M309 PolarHBondContact O-N 3.21Å; L306-M309 HydrophobicContact CD2-CE 3.68Å; L306-M309 PolarHBondContact O-N 3.39Å; F307-M309 VanDerWaalsContact C-N 3.3Å; F307-M309 PolarHBondContact O-N 2.62Å; M309-F311 VanDerWaalsContact C-N 3.25Å; M309-F311 PolarHBondContact O-N 3.14Å; M309-V312 PolarHBondContact O-N 3.28Å; M309-T313 WeakPolarHBondContact O-CG2 3.34Å; M309-T313 PolarHBondContact O-N 3.44Å; M309-T313 PolarHBondContact O-OG1 3.41Å
310	I	88.6	Confident	87.3	Confident	109 Å²	109	41.7 Å²	41.7	56%	0.559	22%	0.22	S	C	*	.	H	α-helix	trans	-60.9	-39.9	173.6	-66.2	166.2	0	0	0	110.2	L306 F307 T313 L314	L306-I310 WeakPolarHBondContact O-CG1 3.2Å; L306-I310 PolarHBondContact O-N 2.83Å; F307-I310 PolarHBondContact O-N 3.3Å; I310-T313 WeakPolarHBondContact CA-OG1 3.24Å; I310-T313 PolarHBondContact O-OG1 3.21Å; I310-L314 WeakPolarHBondContact O-CB 3.42Å; I310-L314 PolarHBondContact O-N 3.17Å
311	F	88.1	Confident	87.7	Confident	17 Å²	17	46 Å²	46	8%	0.075	24%	0.238	C	C	.	.	H	α-helix	trans	-67.8	-42.8	180	-170	-109.3	0	0	0	113.3	T256 V257 F307 I308 M309 L314 S315 F450 V453	T256-F311 WeakPolarHBondContact OG1-CE1 3.5Å; V257-F311 HydrophobicContact CG2-CE1 4.35Å; F307-F311 WeakPolarHBondContact O-CB 3.43Å; F307-F311 PolarHBondContact O-N 3.49Å; I308-F311 CarbonylContact O-C 3.57Å; I308-F311 WeakPolarHBondContact O-CB 3.34Å; I308-F311 PolarHBondContact O-N 3Å; M309-F311 VanDerWaalsContact C-N 3.25Å; M309-F311 PolarHBondContact O-N 3.14Å; F311-L314 PolarHBondContact O-N 3.11Å; F311-S315 WeakPolarHBondContact O-CB 3.46Å; F311-S315 PolarHBondContact O-N 3.24Å; F311-F450 HydrophobicContact CD1-CD1 4.23Å; F311-F450 AromaticContact CD2-CD1 3.93Å; F311-F450 HydrophobicContact CD2-CD1 3.93Å; F311-F450 HydrophobicContact CD2-CE1 4.15Å; F311-F450 HydrophobicContact CE1-CB 4.37Å; F311-F450 AromaticContact CE1-CD1 3.65Å; F311-F450 HydrophobicContact CE1-CD1 3.65Å; F311-F450 HydrophobicContact CE1-CE1 4.49Å; F311-F450 HydrophobicContact CE1-CG 4.48Å; F311-F450 HydrophobicContact CE2-CB 4.1Å; F311-F450 AromaticContact CE2-CD1 3.28Å; F311-F450 HydrophobicContact CE2-CD1 3.28Å; F311-F450 AromaticContact CE2-CE1 3.92Å; F311-F450 HydrophobicContact CE2-CE1 3.92Å; F311-F450 AromaticContact CE2-CG 3.89Å; F311-F450 HydrophobicContact CE2-CG 3.89Å; F311-F450 HydrophobicContact CG-CD1 4.37Å; F311-F450 HydrophobicContact CZ-CB 3.53Å; F311-F450 AromaticContact CZ-CD1 3.15Å; F311-F450 HydrophobicContact CZ-CD1 3.15Å; F311-F450 HydrophobicContact CZ-CE1 4.13Å; F311-F450 AromaticContact CZ-CG 3.7Å; F311-F450 HydrophobicContact CZ-CG 3.7Å; F311-F450 VanDerWaalsContact CZ-O 3.24Å; F311-F450 WeakPolarHBondContact CZ-O 3.27Å; F311-V453 HydrophobicContact CD2-CG1 4.12Å; F311-V453 HydrophobicContact CE2-CB 4.01Å; F311-V453 HydrophobicContact CE2-CG1 3.72Å
312	V	87.4	Confident	88	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-45.5	175.3	170.8	0	0	0	0	111.1	T256 V276 L277 L280 I308 M309 L314 S315 I316	T256-V312 HydrophobicContact CG2-CG2 3.37Å; V276-V312 HydrophobicContact CG1-CG2 4.48Å; L277-V312 HydrophobicContact CB-CG1 3.97Å; L277-V312 HydrophobicContact CD1-CG1 3.72Å; L277-V312 HydrophobicContact CG-CG1 4.44Å; L280-V312 HydrophobicContact CD2-CB 4.46Å; L280-V312 HydrophobicContact CD2-CG2 4.05Å; I308-V312 HydrophobicContact CG2-CG2 3.89Å; I308-V312 WeakPolarHBondContact O-CB 3.43Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.15Å; I308-V312 PolarHBondContact O-N 3.14Å; M309-V312 PolarHBondContact O-N 3.28Å; V312-L314 VanDerWaalsContact C-N 3.35Å; V312-L314 PolarHBondContact O-N 3.07Å; V312-S315 WeakPolarHBondContact O-CB 3.38Å; V312-S315 PolarHBondContact O-N 3.5Å; V312-S315 VanDerWaalsContact O-N 3.16Å; V312-I316 HydrophobicContact CG1-CD1 3.91Å; V312-I316 WeakPolarHBondContact O-CG1 3.31Å; V312-I316 PolarHBondContact O-N 3.5Å
313	T	88.3	Confident	88.3	Confident	61 Å²	61	47 Å²	47	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-62.3	-42.9	179	50.3	0	0	0	0	111.5	L277 M309 I310 S315 I316 I317	L277-T313 HydrophobicContact CD1-CG2 4.48Å; M309-T313 WeakPolarHBondContact O-CG2 3.34Å; M309-T313 PolarHBondContact O-N 3.44Å; M309-T313 PolarHBondContact O-OG1 3.41Å; I310-T313 WeakPolarHBondContact CA-OG1 3.24Å; I310-T313 PolarHBondContact O-OG1 3.21Å; T313-S315 VanDerWaalsContact C-N 3.34Å; T313-S315 PolarHBondContact O-N 2.89Å; T313-I316 PolarHBondContact O-N 2.85Å; T313-I317 WeakPolarHBondContact O-CG1 3.3Å; T313-I317 PolarHBondContact O-N 3.48Å; T313-I317 VanDerWaalsContact O-N 3.15Å
314	L	90.9	Very high	88.5	Confident	89 Å²	89	46.9 Å²	46.9	47%	0.466	24%	0.242	S	C	.	.	H	α-helix	trans	-63.9	-39.8	173.5	-160.6	155.1	0	0	0	111.4	I310 F311 V312 I316 I317 V318 F450	I310-L314 WeakPolarHBondContact O-CB 3.42Å; I310-L314 PolarHBondContact O-N 3.17Å; F311-L314 PolarHBondContact O-N 3.11Å; V312-L314 VanDerWaalsContact C-N 3.35Å; V312-L314 PolarHBondContact O-N 3.07Å; L314-I316 PolarHBondContact O-N 2.98Å; L314-I317 PolarHBondContact O-N 3.47Å; L314-V318 HydrophobicContact CD2-CG2 3.86Å; L314-V318 WeakPolarHBondContact O-CG2 3.48Å; L314-V318 PolarHBondContact O-N 2.96Å; L314-F450 HydrophobicContact CD2-CE1 4.09Å; L314-F450 HydrophobicContact CD2-CE2 4.06Å; L314-F450 HydrophobicContact CD2-CZ 3.32Å
315	S	90.6	Very high	88.5	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-58.2	-46.9	174.6	-176.3	0	0	0	0	112.1	F260 F311 V312 T313 I317 V318 T319	F260-S315 VanDerWaalsContact CE2-OG 3.32Å; F260-S315 WeakPolarHBondContact CE2-OG 3.23Å; F260-S315 VanDerWaalsContact CZ-OG 3.25Å; F260-S315 WeakPolarHBondContact CZ-OG 3.34Å; F311-S315 WeakPolarHBondContact O-CB 3.46Å; F311-S315 PolarHBondContact O-N 3.24Å; V312-S315 WeakPolarHBondContact O-CB 3.38Å; V312-S315 PolarHBondContact O-N 3.5Å; V312-S315 VanDerWaalsContact O-N 3.16Å; T313-S315 VanDerWaalsContact C-N 3.34Å; T313-S315 PolarHBondContact O-N 2.89Å; S315-I317 PolarHBondContact O-N 3.06Å; S315-V318 PolarHBondContact O-N 3.02Å; S315-T319 VanDerWaalsContact O-CG2 3.25Å; S315-T319 WeakPolarHBondContact O-CG2 3.23Å; S315-T319 PolarHBondContact O-N 3.41Å; S315-T319 PolarHBondContact O-OG1 2.93Å
316	I	89.4	Confident	88.7	Confident	32 Å²	32	47.8 Å²	47.8	16%	0.164	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-44	177.6	-67.6	161.5	0	0	0	111.5	S273 L277 V312 T313 L314 V318 T319 V320	S273-I316 WeakPolarHBondContact OG-CG1 3.49Å; L277-I316 HydrophobicContact CB-CD1 4Å; L277-I316 HydrophobicContact CD1-CD1 4.4Å; L277-I316 HydrophobicContact CD2-CD1 3.78Å; L277-I316 HydrophobicContact CG-CD1 4.27Å; V312-I316 HydrophobicContact CG1-CD1 3.91Å; V312-I316 WeakPolarHBondContact O-CG1 3.31Å; V312-I316 PolarHBondContact O-N 3.5Å; T313-I316 PolarHBondContact O-N 2.85Å; L314-I316 PolarHBondContact O-N 2.98Å; I316-V318 VanDerWaalsContact C-N 3.31Å; I316-V318 PolarHBondContact O-N 3.44Å; I316-T319 WeakPolarHBondContact CA-OG1 3.4Å; I316-T319 PolarHBondContact O-N 3.42Å; I316-T319 PolarHBondContact O-OG1 2.94Å; I316-V320 WeakPolarHBondContact O-CG2 3.31Å; I316-V320 PolarHBondContact O-N 3.16Å
317	I	91.7	Very high	88.7	Confident	122 Å²	122	48.8 Å²	48.8	63%	0.626	25%	0.25	S	C	*	.	H	α-helix	trans	-61.2	-44	178.7	-66.8	165.9	0	0	0	110.4	T313 L314 S315 F321	T313-I317 WeakPolarHBondContact O-CG1 3.3Å; T313-I317 PolarHBondContact O-N 3.48Å; T313-I317 VanDerWaalsContact O-N 3.15Å; L314-I317 PolarHBondContact O-N 3.47Å; S315-I317 PolarHBondContact O-N 3.06Å; I317-F321 PolarHBondContact O-N 2.83Å; I317-F321 VanDerWaalsContact O-N 3.07Å
318	V	92	Very high	88.1	Confident	17 Å²	17	52.4 Å²	52.4	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-67.5	-40.9	178.4	174.1	0	0	0	0	111.6	F260 L314 S315 I316 F321 V322 F446 F450	F260-V318 HydrophobicContact CE1-CB 4.3Å; F260-V318 HydrophobicContact CE1-CG1 3.77Å; F260-V318 HydrophobicContact CZ-CB 4.34Å; F260-V318 HydrophobicContact CZ-CG1 4.15Å; L314-V318 HydrophobicContact CD2-CG2 3.86Å; L314-V318 WeakPolarHBondContact O-CG2 3.48Å; L314-V318 PolarHBondContact O-N 2.96Å; S315-V318 PolarHBondContact O-N 3.02Å; I316-V318 VanDerWaalsContact C-N 3.31Å; I316-V318 PolarHBondContact O-N 3.44Å; V318-F321 WeakPolarHBondContact O-CB 3.49Å; V318-F321 PolarHBondContact O-N 3.19Å; V318-V322 HydrophobicContact CG1-CG2 4.37Å; V318-V322 WeakPolarHBondContact O-CG2 3.43Å; V318-V322 PolarHBondContact O-N 3.37Å; V318-F446 HydrophobicContact CG1-CB 4.11Å; V318-F446 HydrophobicContact CG1-CD1 3.72Å; V318-F446 HydrophobicContact CG1-CD2 3.31Å; V318-F446 HydrophobicContact CG1-CE1 3.89Å; V318-F446 HydrophobicContact CG1-CE2 3.5Å; V318-F446 VanDerWaalsContact CG1-CE2 3.5Å; V318-F446 HydrophobicContact CG1-CG 3.44Å; V318-F446 VanDerWaalsContact CG1-CG 3.44Å; V318-F446 HydrophobicContact CG1-CZ 3.78Å; V318-F446 HydrophobicContact CG2-CE1 4.37Å; V318-F450 HydrophobicContact CG2-CE2 4.39Å; V318-F450 HydrophobicContact CG2-CZ 4.28Å
319	T	89.9	Confident	86.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-41.5	178.8	57.8	0	0	0	0	111.6	V259 F260 S315 I316 F321 V322 I323	V259-T319 HydrophobicContact CG1-CG2 3.61Å; F260-T319 HydrophobicContact CD1-CG2 4.16Å; F260-T319 HydrophobicContact CE1-CG2 3.57Å; F260-T319 HydrophobicContact CZ-CG2 4.05Å; S315-T319 VanDerWaalsContact O-CG2 3.25Å; S315-T319 WeakPolarHBondContact O-CG2 3.23Å; S315-T319 PolarHBondContact O-N 3.41Å; S315-T319 PolarHBondContact O-OG1 2.93Å; I316-T319 WeakPolarHBondContact CA-OG1 3.4Å; I316-T319 PolarHBondContact O-N 3.42Å; I316-T319 PolarHBondContact O-OG1 2.94Å; T319-F321 VanDerWaalsContact C-N 3.3Å; T319-F321 PolarHBondContact O-N 3.49Å; T319-V322 PolarHBondContact O-N 3.14Å; T319-I323 WeakPolarHBondContact O-CB 3.34Å; T319-I323 VanDerWaalsContact O-CG1 3.22Å; T319-I323 WeakPolarHBondContact O-CG1 3.42Å; T319-I323 PolarHBondContact O-N 3.31Å
320	V	90.3	Very high	85.5	Confident	76 Å²	76	53.2 Å²	53.2	46%	0.461	27%	0.274	S	S	.	.	H	α-helix	trans	-60.3	-41.4	172.7	172.2	0	0	0	0	111	L270 I316 I323 N324	L270-V320 HydrophobicContact CD1-CG2 4.38Å; I316-V320 WeakPolarHBondContact O-CG2 3.31Å; I316-V320 PolarHBondContact O-N 3.16Å; V320-I323 PolarHBondContact O-N 2.91Å; V320-N324 WeakPolarHBondContact O-CB 3.41Å; V320-N324 PolarHBondContact O-N 3.39Å
321	F	90.9	Very high	83.9	Confident	111 Å²	111	51.9 Å²	51.9	49%	0.487	28%	0.279	S	S	.	.	H	α-helix	trans	-62	-46	174.8	173.8	-99.8	0	0	0	112.3	I317 V318 T319 I323 N324 V325 L442	I317-F321 PolarHBondContact O-N 2.83Å; I317-F321 VanDerWaalsContact O-N 3.07Å; V318-F321 WeakPolarHBondContact O-CB 3.49Å; V318-F321 PolarHBondContact O-N 3.19Å; T319-F321 VanDerWaalsContact C-N 3.3Å; T319-F321 PolarHBondContact O-N 3.49Å; F321-I323 PolarHBondContact O-N 2.76Å; F321-N324 WeakPolarHBondContact O-CB 3.42Å; F321-N324 PolarHBondContact O-N 3.28Å; F321-V325 HydrophobicContact CE1-CG2 4.09Å; F321-V325 HydrophobicContact CE2-CG2 4.28Å; F321-V325 HydrophobicContact CZ-CG2 3.96Å; F321-V325 WeakPolarHBondContact O-CG2 3.33Å; F321-V325 PolarHBondContact O-N 3.06Å; F321-L442 HydrophobicContact CE1-CD1 4.17Å
322	V	90.4	Very high	82.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.7	-40.4	178.3	176.1	0	0	0	0	111.5	V318 T319 N324 V325 H326 A439 L442 D443 F446	V318-V322 HydrophobicContact CG1-CG2 4.37Å; V318-V322 WeakPolarHBondContact O-CG2 3.43Å; V318-V322 PolarHBondContact O-N 3.37Å; T319-V322 PolarHBondContact O-N 3.14Å; V322-N324 VanDerWaalsContact C-N 3.33Å; V322-N324 PolarHBondContact O-N 3Å; V322-V325 PolarHBondContact O-N 3.24Å; V322-H326 WeakPolarHBondContact O-CB 3.44Å; V322-H326 PolarHBondContact O-N 3.43Å; V322-A439 HydrophobicContact CG1-CB 4.05Å; V322-L442 HydrophobicContact CG2-CB 4.11Å; V322-D443 WeakPolarHBondContact CG1-OD1 3.26Å; V322-F446 HydrophobicContact CG2-CD2 4.05Å; V322-F446 HydrophobicContact CG2-CE2 4.11Å
323	I	88.7	Confident	81.4	Confident	43 Å²	43	61.4 Å²	61.4	22%	0.221	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-41.8	175.3	-68.7	166.5	0	0	0	110.6	K269 T319 V320 F321 V325 H326 H327	K269-I323 HydrophobicContact CD-CD1 4.48Å; K269-I323 HydrophobicContact CD-CG1 4.48Å; T319-I323 WeakPolarHBondContact O-CB 3.34Å; T319-I323 VanDerWaalsContact O-CG1 3.22Å; T319-I323 WeakPolarHBondContact O-CG1 3.42Å; T319-I323 PolarHBondContact O-N 3.31Å; V320-I323 PolarHBondContact O-N 2.91Å; F321-I323 PolarHBondContact O-N 2.76Å; I323-V325 VanDerWaalsContact C-N 3.35Å; I323-V325 PolarHBondContact O-N 3.16Å; I323-H326 WeakPolarHBondContact O-CB 3.43Å; I323-H326 PolarHBondContact O-N 3Å; I323-H327 PolarHBondContact O-CD2 2.92Å; I323-H327 PolarHBondContact O-N 3.4Å
324	N	88.8	Confident	80.3	Confident	104 Å²	104	64.1 Å²	64.1	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-59.5	-46	174.6	-173.8	-24.7	0	0	0	111	V320 F321 V322 H326 H327 R328	V320-N324 WeakPolarHBondContact O-CB 3.41Å; V320-N324 PolarHBondContact O-N 3.39Å; F321-N324 WeakPolarHBondContact O-CB 3.42Å; F321-N324 PolarHBondContact O-N 3.28Å; V322-N324 VanDerWaalsContact C-N 3.33Å; V322-N324 PolarHBondContact O-N 3Å; N324-H326 VanDerWaalsContact C-N 3.33Å; N324-H326 PolarHBondContact O-N 3.12Å; N324-H327 PolarHBondContact O-N 3.43Å; N324-R328 WeakPolarHBondContact O-CB 3.34Å; N324-R328 PolarHBondContact O-N 3.1Å
325	V	86.4	Confident	79.1	Confident	8 Å²	8	64.7 Å²	64.7	5%	0.048	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-40.3	175.5	174.5	0	0	0	0	112	F321 V322 I323 R328 W435 V438 A439 L442	F321-V325 HydrophobicContact CE1-CG2 4.09Å; F321-V325 HydrophobicContact CE2-CG2 4.28Å; F321-V325 HydrophobicContact CZ-CG2 3.96Å; F321-V325 WeakPolarHBondContact O-CG2 3.33Å; F321-V325 PolarHBondContact O-N 3.06Å; V322-V325 PolarHBondContact O-N 3.24Å; I323-V325 VanDerWaalsContact C-N 3.35Å; I323-V325 PolarHBondContact O-N 3.16Å; V325-R328 WeakPolarHBondContact O-CB 3.39Å; V325-R328 PolarHBondContact O-N 3.19Å; V325-W435 HydrophobicContact CG1-CE3 3.81Å; V325-W435 HydrophobicContact CG1-CZ3 3.98Å; V325-V438 HydrophobicContact CG1-CG1 4.12Å; V325-A439 HydrophobicContact CG1-CB 4.32Å; V325-L442 HydrophobicContact CB-CD1 4.42Å; V325-L442 HydrophobicContact CG1-CD1 4.06Å; V325-L442 HydrophobicContact CG2-CD1 4.28Å
326	H	86.1	Confident	78.4	Confident	13 Å²	13	66 Å²	66	6%	0.06	35%	0.348	C	S	.	.	H	α-helix	trans	-61.8	-44.4	177.5	-178	-102.3	0	0	0	112.5	D265 V322 I323 N324 A439	D265-H326 IonicContact OD1-CE1 2.75Å; D265-H326 PolarHBondContact OD1-CE1 3.23Å; D265-H326 VanDerWaalsContact OD1-CE1 3.31Å; D265-H326 IonicContact OD1-NE2 3.73Å; D265-H326 PolarHBondContact OD1-NE2 3.06Å; V322-H326 WeakPolarHBondContact O-CB 3.44Å; V322-H326 PolarHBondContact O-N 3.43Å; I323-H326 WeakPolarHBondContact O-CB 3.43Å; I323-H326 PolarHBondContact O-N 3Å; N324-H326 VanDerWaalsContact C-N 3.33Å; N324-H326 PolarHBondContact O-N 3.12Å; H326-A439 HydrophobicContact CB-CB 3.83Å
327	H	83.6	Confident	78	Confident	96 Å²	96	67.4 Å²	67.4	44%	0.444	36%	0.36	S	S	.	.	H	α-helix	trans	-89.9	-5.1	-178.9	-71.3	-77	0	0	0	114.6	I323 N324 S329 S330	I323-H327 PolarHBondContact O-CD2 2.92Å; I323-H327 PolarHBondContact O-N 3.4Å; N324-H327 PolarHBondContact O-N 3.43Å; H327-S329 PolarHBondContact O-N 2.81Å; H327-S330 PolarHBondContact O-N 3.3Å; H327-S330 VanDerWaalsContact O-N 3.13Å; H327-S330 PolarHBondContact O-OG 3.45Å; H327-S330 VanDerWaalsContact O-OG 3.06Å
328	R	75.3	Confident	77.4	Confident	132 Å²	132	67 Å²	67	50%	0.498	37%	0.366	S	S	.	.	H	α-helix	trans	-53.6	-28.1	179.9	-168.5	171	-177	161.6	2.9	113.5	N324 V325	N324-R328 WeakPolarHBondContact O-CB 3.34Å; N324-R328 PolarHBondContact O-N 3.1Å; V325-R328 WeakPolarHBondContact O-CB 3.39Å; V325-R328 PolarHBondContact O-N 3.19Å
329	S	60.8	Low	77.1	Confident	3 Å²	3	74.8 Å²	74.8	2%	0.021	39%	0.393	C	S	.	.	H	α-helix	trans	-85.2	-20.1	-177.2	-164.4	0	0	0	0	115.4	H327 A331 V432	H327-S329 PolarHBondContact O-N 2.81Å; S329-A331 VanDerWaalsContact C-N 3.34Å; S329-V432 VanDerWaalsContact OG-CA 3.28Å; S329-V432 WeakPolarHBondContact OG-CA 3.46Å; S329-V432 WeakPolarHBondContact OG-CG2 3.44Å; S329-V432 PolarHBondContact OG-N 2.95Å
330	S	56.7	Low	76.8	Confident	80 Å²	80	75.8 Å²	75.8	56%	0.559	40%	0.399	S	S	*	.	H	α-helix	trans	-79.2	-18.4	-177.6	57.4	0	0	0	0	113.2	H327	H327-S330 PolarHBondContact O-N 3.3Å; H327-S330 VanDerWaalsContact O-N 3.13Å; H327-S330 PolarHBondContact O-OG 3.45Å; H327-S330 VanDerWaalsContact O-OG 3.06Å
331	A	54.9	Low	76.3	Confident	81 Å²	81	79.2 Å²	79.2	67%	0.669	40%	0.404	S	S	*	.	H	α-helix	trans	-105.1	-31.6	-173.4	0	0	0	0	0	115	S329	S329-A331 VanDerWaalsContact C-N 3.34Å
332	T	62.4	Low	75.8	Confident	77 Å²	77	76 Å²	76	47%	0.472	40%	0.395	S	S	.	.	H	α-helix	trans	-130.1	-5.5	-163.1	-9.9	0	0	0	0	116.4	H334	T332-H334 VanDerWaalsContact CG2-CD2 3.46Å; T332-H334 WeakPolarHBondContact CG2-CD2 3.46Å; T332-H334 PolarHBondContact O-N 3.18Å
333	Y	61.9	Low	75.5	Confident	143 Å²	143	78.1 Å²	78.1	56%	0.561	41%	0.407	S	S	*	.			trans	46.8	24.9	178.3	-57.7	-72.7	0	0	0	116	I428	Y333-I428 HydrophobicContact CD1-CB 4.45Å; Y333-I428 HydrophobicContact CD1-CD1 4.08Å; Y333-I428 HydrophobicContact CD1-CG1 3.82Å; Y333-I428 HydrophobicContact CD1-CG2 3.95Å; Y333-I428 HydrophobicContact CE1-CB 4.27Å; Y333-I428 HydrophobicContact CE1-CD1 3.76Å; Y333-I428 HydrophobicContact CE1-CG1 3.86Å; Y333-I428 HydrophobicContact CE1-CG2 3.44Å; Y333-I428 VanDerWaalsContact CE1-CG2 3.44Å
334	H	64.3	Low	75.2	Confident	118 Å²	118	77.5 Å²	77.5	55%	0.546	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-72.3	130.3	-177.5	-81.7	-63	0	0	0	111.1	T332	T332-H334 VanDerWaalsContact CG2-CD2 3.46Å; T332-H334 WeakPolarHBondContact CG2-CD2 3.46Å; T332-H334 PolarHBondContact O-N 3.18Å
335	P	66.6	Low	74.6	Confident	101 Å²	101	73.4 Å²	73.4	66%	0.656	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-63.2	137.8	172.4	26.2	-32.3	0	0	0	110.2
336	M	74.6	Confident	74.2	Confident	30 Å²	30	77.6 Å²	77.6	15%	0.148	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-59.9	141.6	177.5	-76.1	-174.7	167.3	0	0	111.5	D434 W435 V438	M336-D434 VanDerWaalsContact CE-C 3.42Å; M336-D434 HydrophobicContact CE-CB 3.78Å; M336-D434 HydrophobicContact SD-CB 4.02Å; M336-W435 HydrophobicContact CE-CB 3.94Å; M336-W435 HydrophobicContact CE-CD2 3.31Å; M336-W435 HydrophobicContact CE-CE3 3.77Å; M336-W435 HydrophobicContact CE-CG 3.38Å; M336-W435 HydrophobicContact CE-CZ2 4.3Å; M336-W435 HydrophobicContact CE-CZ3 4.41Å; M336-W435 VanDerWaalsContact CE-N 3.29Å; M336-W435 HydrophobicContact CG-CD2 4.28Å; M336-W435 HydrophobicContact CG-CH2 4.47Å; M336-W435 HydrophobicContact CG-CZ2 3.69Å; M336-V438 HydrophobicContact CE-CB 4.32Å; M336-V438 HydrophobicContact CE-CG2 3.56Å; M336-V438 HydrophobicContact SD-CG2 4.37Å
337	S	82.1	Confident	73.9	Confident	61 Å²	61	83.7 Å²	83.7	43%	0.427	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-65.2	142.8	172.7	60.9	0	0	0	0	110.6	W339 V340 R341	S337-W339 PolarHBondContact O-N 3.24Å; S337-W339 VanDerWaalsContact O-N 3.15Å; S337-V340 PolarHBondContact O-N 3.27Å; S337-V340 VanDerWaalsContact O-N 3.1Å; S337-V340 WeakPolarHBondContact OG-CG2 3.33Å; S337-R341 PolarHBondContact O-N 3.21Å
338	P	79.8	Confident	73.9	Confident	114 Å²	114	80.6 Å²	80.6	74%	0.74	41%	0.412	S	S	*	.	H	α-helix	trans	-58.4	-33	-173.7	-26.6	34.3	0	0	0	114.1	S342	P338-S342 PolarHBondContact O-N 3.26Å; P338-S342 VanDerWaalsContact O-N 3.15Å
339	W	84.4	Confident	74.1	Confident	179 Å²	179	74.3 Å²	74.3	68%	0.678	39%	0.389	S	S	*	.	H	α-helix	trans	-69.7	-41.4	177.9	179.4	83.8	0	0	0	112.7	S337 R341 S342 L343	S337-W339 PolarHBondContact O-N 3.24Å; S337-W339 VanDerWaalsContact O-N 3.15Å; W339-R341 VanDerWaalsContact C-N 3.29Å; W339-R341 PolarHBondContact O-N 3.4Å; W339-S342 PolarHBondContact O-N 3.11Å; W339-L343 HydrophobicContact CH2-CD2 3.5Å; W339-L343 HydrophobicContact CZ2-CD2 3.63Å; W339-L343 HydrophobicContact CZ3-CD2 4.08Å; W339-L343 WeakPolarHBondContact O-CB 3.25Å; W339-L343 PolarHBondContact O-N 3.22Å
340	V	82.9	Confident	75	Confident	22 Å²	22	83.8 Å²	83.8	13%	0.133	42%	0.424	C	S	.	.	H	α-helix	trans	-61.4	-41.9	176	169.7	0	0	0	0	110.1	S337 L343 F344	S337-V340 PolarHBondContact O-N 3.27Å; S337-V340 VanDerWaalsContact O-N 3.1Å; S337-V340 WeakPolarHBondContact OG-CG2 3.33Å; V340-L343 PolarHBondContact O-N 3.03Å; V340-F344 HydrophobicContact CG1-CD2 3.91Å; V340-F344 WeakPolarHBondContact O-CB 3.32Å; V340-F344 PolarHBondContact O-N 3.22Å
341	R	81.1	Confident	76.2	Confident	147 Å²	147	86.5 Å²	86.5	56%	0.555	43%	0.431	S	S	*	.	H	α-helix	trans	-60	-47.4	177	-162.1	-177.4	-179.1	-179.8	-0.5	112.1	S337 W339 L345	S337-R341 PolarHBondContact O-N 3.21Å; W339-R341 VanDerWaalsContact C-N 3.29Å; W339-R341 PolarHBondContact O-N 3.4Å; R341-L345 HydrophobicContact CG-CD1 3.6Å; R341-L345 HydrophobicContact CG-CG 4.3Å; R341-L345 WeakPolarHBondContact O-CB 3.07Å; R341-L345 PolarHBondContact O-N 2.94Å; R341-L345 VanDerWaalsContact O-N 3.08Å
342	S	80.1	Confident	77.3	Confident	44 Å²	44	84.6 Å²	84.6	31%	0.308	41%	0.41	S	S	.	.	I	π-helix	trans	-68	-39.9	179.6	-172.4	0	0	0	0	112.4	P338 W339 Q346 K347	P338-S342 PolarHBondContact O-N 3.26Å; P338-S342 VanDerWaalsContact O-N 3.15Å; W339-S342 PolarHBondContact O-N 3.11Å; S342-Q346 WeakPolarHBondContact O-CB 3.4Å; S342-Q346 PolarHBondContact O-N 2.97Å; S342-Q346 PolarHBondContact OG-OE1 3.49Å; S342-K347 PolarHBondContact O-N 3.42Å
343	L	83.7	Confident	78.1	Confident	45 Å²	45	86.8 Å²	86.8	24%	0.236	43%	0.427	C	S	.	.	I	π-helix	trans	-71.1	-55.1	-178.7	-176.1	64.9	0	0	0	112.2	W339 V340 K347 L348	W339-L343 HydrophobicContact CH2-CD2 3.5Å; W339-L343 HydrophobicContact CZ2-CD2 3.63Å; W339-L343 HydrophobicContact CZ3-CD2 4.08Å; W339-L343 WeakPolarHBondContact O-CB 3.25Å; W339-L343 PolarHBondContact O-N 3.22Å; V340-L343 PolarHBondContact O-N 3.03Å; L343-K347 PolarHBondContact O-N 3.1Å; L343-L348 HydrophobicContact CD1-CD1 4.21Å; L343-L348 HydrophobicContact CD1-CG 4.17Å; L343-L348 HydrophobicContact CD2-CD1 4.35Å; L343-L348 HydrophobicContact CG-CD1 3.77Å; L343-L348 HydrophobicContact CG-CG 4.22Å; L343-L348 WeakPolarHBondContact O-CB 3.35Å; L343-L348 WeakPolarHBondContact O-CG 3.43Å; L343-L348 PolarHBondContact O-N 2.97Å
344	F	82.1	Confident	78.7	Confident	30 Å²	30	82.2 Å²	82.2	13%	0.132	41%	0.411	C	S	.	.	I	π-helix	trans	-86.1	-26	-170.9	-73.3	-84	0	0	0	114.6	V340 L348 P349 V438 V441 L442	V340-F344 HydrophobicContact CG1-CD2 3.91Å; V340-F344 WeakPolarHBondContact O-CB 3.32Å; V340-F344 PolarHBondContact O-N 3.22Å; F344-L348 HydrophobicContact CD1-CD1 3.5Å; F344-L348 VanDerWaalsContact CD1-CD1 3.5Å; F344-L348 HydrophobicContact CE1-CD1 3.58Å; F344-L348 HydrophobicContact CG-CD1 4Å; F344-L348 HydrophobicContact CZ-CD1 4.18Å; F344-P349 WeakPolarHBondContact O-CD 3.44Å; F344-P349 WeakPolarHBondContact O-CG 3.44Å; F344-V438 HydrophobicContact CB-CB 4.43Å; F344-V438 HydrophobicContact CB-CG1 4.1Å; F344-V438 HydrophobicContact CB-CG2 3.79Å; F344-V438 HydrophobicContact CD1-CG1 4.02Å; F344-V438 HydrophobicContact CD2-CG1 4.36Å; F344-V438 HydrophobicContact CG-CG1 3.9Å; F344-V438 HydrophobicContact CG-CG2 4.48Å; F344-V441 HydrophobicContact CD1-CB 4.48Å; F344-V441 HydrophobicContact CD1-CG1 4.01Å; F344-L442 HydrophobicContact CD1-CD2 4.49Å; F344-L442 HydrophobicContact CD1-CG 4.34Å; F344-L442 HydrophobicContact CE1-CD1 4.43Å; F344-L442 HydrophobicContact CE1-CD2 3.4Å; F344-L442 VanDerWaalsContact CE1-CD2 3.4Å; F344-L442 HydrophobicContact CE1-CG 3.66Å; F344-L442 HydrophobicContact CZ-CD2 3.76Å; F344-L442 HydrophobicContact CZ-CG 4.3Å
345	L	77.6	Confident	78.8	Confident	18 Å²	18	86.6 Å²	86.6	9%	0.094	42%	0.423	C	S	.	.	I	π-helix	trans	-95.4	-23.8	178	-54.4	-175.1	0	0	0	113.5	R341 F437 V438	R341-L345 HydrophobicContact CG-CD1 3.6Å; R341-L345 HydrophobicContact CG-CG 4.3Å; R341-L345 WeakPolarHBondContact O-CB 3.07Å; R341-L345 PolarHBondContact O-N 2.94Å; R341-L345 VanDerWaalsContact O-N 3.08Å; L345-F437 HydrophobicContact CD2-CD1 3.46Å; L345-F437 VanDerWaalsContact CD2-CD1 3.46Å; L345-F437 HydrophobicContact CD2-CE1 4.04Å; L345-F437 HydrophobicContact CD2-CG 4.47Å; L345-V438 HydrophobicContact CD2-CG2 4.01Å
346	Q	78	Confident	78.3	Confident	95 Å²	95	82.9 Å²	82.9	44%	0.444	40%	0.402	S	S	.	.	I	π-helix	trans	-114.6	-50.9	-173.7	-54.6	175.1	-26.8	0	0	113.3	S342 R350	S342-Q346 WeakPolarHBondContact O-CB 3.4Å; S342-Q346 PolarHBondContact O-N 2.97Å; S342-Q346 PolarHBondContact OG-OE1 3.49Å; Q346-R350 VanDerWaalsContact O-CD 3.31Å; Q346-R350 WeakPolarHBondContact O-CD 3.34Å; Q346-R350 VanDerWaalsContact O-CG 3.3Å; Q346-R350 WeakPolarHBondContact O-CG 3.48Å
347	K	79.5	Confident	77.4	Confident	142 Å²	142	83.2 Å²	83.2	62%	0.617	40%	0.404	S	S	*	.	I	π-helix	trans	-82.9	-52.9	-173	-67.6	-170.6	178.9	-175.6	0	113.4	S342 L343 R350 L351	S342-K347 PolarHBondContact O-N 3.42Å; L343-K347 PolarHBondContact O-N 3.1Å; K347-R350 PolarHBondContact O-N 3.3Å; K347-L351 PolarHBondContact O-N 3.42Å
348	L	82.7	Confident	75.9	Confident	30 Å²	30	85.4 Å²	85.4	16%	0.157	42%	0.415	C	S	.	.	H	α-helix	trans	-66.1	-40.7	-175.3	-72.2	168.6	0	0	0	114.3	L343 F344 R350 L351 L352 V441 I445	L343-L348 HydrophobicContact CD1-CD1 4.21Å; L343-L348 HydrophobicContact CD1-CG 4.17Å; L343-L348 HydrophobicContact CD2-CD1 4.35Å; L343-L348 HydrophobicContact CG-CD1 3.77Å; L343-L348 HydrophobicContact CG-CG 4.22Å; L343-L348 WeakPolarHBondContact O-CB 3.35Å; L343-L348 WeakPolarHBondContact O-CG 3.43Å; L343-L348 PolarHBondContact O-N 2.97Å; F344-L348 HydrophobicContact CD1-CD1 3.5Å; F344-L348 VanDerWaalsContact CD1-CD1 3.5Å; F344-L348 HydrophobicContact CE1-CD1 3.58Å; F344-L348 HydrophobicContact CG-CD1 4Å; F344-L348 HydrophobicContact CZ-CD1 4.18Å; L348-R350 VanDerWaalsContact C-N 3.3Å; L348-R350 PolarHBondContact O-N 3.42Å; L348-L351 WeakPolarHBondContact O-CB 3.17Å; L348-L351 PolarHBondContact O-N 3.23Å; L348-L351 VanDerWaalsContact O-N 3.17Å; L348-L352 WeakPolarHBondContact O-CD1 3.4Å; L348-L352 WeakPolarHBondContact O-CG 3.24Å; L348-L352 PolarHBondContact O-N 3.07Å; L348-V441 HydrophobicContact CB-CG1 3.84Å; L348-V441 HydrophobicContact CD1-CG1 4.39Å; L348-I445 HydrophobicContact CD1-CD1 3.81Å; L348-I445 HydrophobicContact CD2-CD1 3.93Å; L348-I445 HydrophobicContact CG-CD1 4.31Å
349	P	80.5	Confident	74.4	Confident	1 Å²	1	85.1 Å²	85.1	1%	0.006	41%	0.407	C	S	.	.	H	α-helix	trans	-63.3	-36.1	177.6	-25	36.3	0	0	0	112.7	F344 L352 C353 M354 F437 V441	F344-P349 WeakPolarHBondContact O-CD 3.44Å; F344-P349 WeakPolarHBondContact O-CG 3.44Å; P349-L352 PolarHBondContact O-N 3.31Å; P349-C353 PolarHBondContact O-N 3.15Å; P349-M354 HydrophobicContact CB-CB 4.18Å; P349-M354 PolarHBondContact O-N 3.15Å; P349-F437 HydrophobicContact CB-CE1 4.42Å; P349-F437 HydrophobicContact CB-CZ 4.21Å; P349-F437 HydrophobicContact CG-CE1 3.73Å; P349-F437 HydrophobicContact CG-CZ 4.02Å; P349-V441 HydrophobicContact CG-CG2 4.06Å
350	R	78.4	Confident	72.7	Confident	201 Å²	201	87.1 Å²	87.1	76%	0.758	41%	0.414	S	S	*	.	H	α-helix	trans	-66.6	-37.2	175.1	-68.8	-179.7	-173.7	-179.6	1.9	112	Q346 K347 L348	Q346-R350 VanDerWaalsContact O-CD 3.31Å; Q346-R350 WeakPolarHBondContact O-CD 3.34Å; Q346-R350 VanDerWaalsContact O-CG 3.3Å; Q346-R350 WeakPolarHBondContact O-CG 3.48Å; K347-R350 PolarHBondContact O-N 3.3Å; L348-R350 VanDerWaalsContact C-N 3.3Å; L348-R350 PolarHBondContact O-N 3.42Å
351	L	82.1	Confident	71	Confident	137 Å²	137	90.9 Å²	90.9	72%	0.717	43%	0.427	S	S	*	.	H	α-helix	trans	-68.8	-37.6	175.7	-176.5	67	0	0	0	112.2	K347 L348 C353	K347-L351 PolarHBondContact O-N 3.42Å; L348-L351 WeakPolarHBondContact O-CB 3.17Å; L348-L351 PolarHBondContact O-N 3.23Å; L348-L351 VanDerWaalsContact O-N 3.17Å; L351-C353 VanDerWaalsContact C-N 3.29Å; L351-C353 PolarHBondContact O-N 3.03Å
352	L	78.6	Confident	68.8	Low	41 Å²	41	92.2 Å²	92.2	22%	0.215	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	9.8	-178.5	-65.9	159.2	0	0	0	113.4	L348 P349 M354 V441 R444 I445	L348-L352 WeakPolarHBondContact O-CD1 3.4Å; L348-L352 WeakPolarHBondContact O-CG 3.24Å; L348-L352 PolarHBondContact O-N 3.07Å; P349-L352 PolarHBondContact O-N 3.31Å; L352-M354 HydrophobicContact CB-CG 4.1Å; L352-M354 HydrophobicContact CB-SD 4.48Å; L352-M354 PolarHBondContact O-N 3.15Å; L352-M354 VanDerWaalsContact O-N 3.11Å; L352-V441 HydrophobicContact CD1-CG1 4.01Å; L352-R444 HydrophobicContact CD1-CB 4.48Å; L352-I445 HydrophobicContact CD1-CD1 4.12Å; L352-I445 HydrophobicContact CD1-CG1 3.52Å; L352-I445 HydrophobicContact CD2-CG1 4.29Å; L352-I445 HydrophobicContact CG-CG1 4.45Å
353	C	78.3	Confident	66.8	Low	123 Å²	123	98.5 Å²	98.5	83%	0.831	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	29.3	-174.9	-64.8	0	0	0	0	114.2	P349 L351	P349-C353 PolarHBondContact O-N 3.15Å; L351-C353 VanDerWaalsContact C-N 3.29Å; L351-C353 PolarHBondContact O-N 3.03Å
354	M	75.5	Confident	64.5	Low	48 Å²	48	101 Å²	101	24%	0.236	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-82.5	136.8	173.2	-62.5	-176.3	85.8	0	0	109.3	P349 L352 G356 V441 R444	P349-M354 HydrophobicContact CB-CB 4.18Å; P349-M354 PolarHBondContact O-N 3.15Å; L352-M354 HydrophobicContact CB-CG 4.1Å; L352-M354 HydrophobicContact CB-SD 4.48Å; L352-M354 PolarHBondContact O-N 3.15Å; L352-M354 VanDerWaalsContact O-N 3.11Å; M354-G356 PolarHBondContact O-N 3.42Å; M354-G356 VanDerWaalsContact O-N 3.17Å; M354-V441 HydrophobicContact SD-CG2 4.15Å; M354-R444 HydrophobicContact CE-CG 3.92Å; M354-R444 HydrophobicContact SD-CB 4.31Å; M354-R444 HydrophobicContact SD-CG 3.92Å
355	R	66.2	Low	62.4	Low	210 Å²	210	108.1 Å²	108.1	79%	0.792	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-62	120.5	173.7	-159.7	170	-177.8	164.6	-0.5	108.5	D359	R355-D359 IonicContact NE-OD2 3.31Å
356	G	56.2	Low	60.8	Low	22 Å²	22	115 Å²	115	23%	0.227	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-62.5	141.3	-171.6	0	0	0	0	0	112.6	M354 T358 D359	M354-G356 PolarHBondContact O-N 3.42Å; M354-G356 VanDerWaalsContact O-N 3.17Å; G356-T358 PolarHBondContact O-N 3.48Å; G356-D359 PolarHBondContact O-N 3.35Å
357	H	55.7	Low	58.7	Low	37 Å²	37	113.4 Å²	113.4	17%	0.171	55%	0.549	C	S	.	.	G	3₁₀ helix	trans	-55.4	-21.2	176.1	-168.9	86.6	0	0	0	113.3	D359 R360 Y361 D434 F437	H357-D359 PolarHBondContact O-N 2.91Å; H357-R360 PolarHBondContact O-N 3.08Å; H357-Y361 AromaticContact CE1-CE2 3.63Å; H357-Y361 AromaticContact NE2-CD2 3.67Å; H357-Y361 AromaticContact NE2-CE2 3.42Å; H357-Y361 WeakPolarHBondContact NE2-CE2 3.07Å; H357-D434 IonicContact CD2-OD1 3.73Å; H357-D434 IonicContact CE1-OD1 3.75Å; H357-D434 IonicContact NE2-OD1 3.3Å; H357-D434 PolarHBondContact NE2-OD1 3.34Å; H357-F437 HydrophobicContact CB-CD1 4.33Å; H357-F437 HydrophobicContact CB-CE1 4.16Å; H357-F437 HydrophobicContact CB-CE2 4.44Å; H357-F437 HydrophobicContact CB-CZ 4.21Å
358	T	51.5	Low	56.9	Low	108 Å²	108	112.5 Å²	112.5	66%	0.663	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-63.9	-18.3	178.6	45.3	0	0	0	0	114.9	G356	G356-T358 PolarHBondContact O-N 3.48Å
359	D	48.3	Very low	54.6	Low	107 Å²	107	119.9 Å²	119.9	57%	0.572	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-88.7	-11.5	-179	-72.3	-4.4	0	0	0	113.7	R355 G356 H357	R355-D359 IonicContact NE-OD2 3.31Å; G356-D359 PolarHBondContact O-N 3.35Å; H357-D359 PolarHBondContact O-N 2.91Å
360	R	48.7	Very low	52.4	Low	221 Å²	221	124.2 Å²	124.2	83%	0.834	62%	0.622	S	S	*	*	S	Bend	trans	-93.5	-13.3	-169.1	-139.3	174.5	-163.9	163.9	3.2	114.7	H357	H357-R360 PolarHBondContact O-N 3.08Å
361	Y	46.1	Very low	50.5	Low	101 Å²	101	120.2 Å²	120.2	40%	0.396	62%	0.622	S	S	.	*			trans	-124.5	35.4	-174.7	-70	-81	0	0	0	113.7	H357 Y363	H357-Y361 AromaticContact CE1-CE2 3.63Å; H357-Y361 AromaticContact NE2-CD2 3.67Å; H357-Y361 AromaticContact NE2-CE2 3.42Å; H357-Y361 WeakPolarHBondContact NE2-CE2 3.07Å; Y361-Y363 PolarHBondContact O-N 3.33Å
362	H	35	Very low	48.1	Very low	175 Å²	175	122.3 Å²	122.3	81%	0.81	63%	0.628	S	S	*	*			trans	-75.3	76.5	154.6	-133.5	-53.8	0	0	0	107.6	P364	H362-P364 WeakPolarHBondContact O-CD 3.3Å
363	Y	37.6	Very low	46.4	Very low	176 Å²	176	128.3 Å²	128.3	69%	0.69	66%	0.659	S	S	*	*			trans	-61.6	126.4	151.9	-98.1	-90.4	0	0	0	105.1	Y361 E365	Y361-Y363 PolarHBondContact O-N 3.33Å; Y363-E365 PolarHBondContact O-N 2.83Å
364	P	35.4	Very low	44.1	Very low	98 Å²	98	131.8 Å²	131.8	64%	0.636	66%	0.66	S	S	*	*			trans	-55.4	119.7	161.4	15.1	-14.3	0	0	0	104.9	H362 L366	H362-P364 WeakPolarHBondContact O-CD 3.3Å; P364-L366 PolarHBondContact O-N 3.18Å
365	E	37.8	Very low	42.1	Very low	179 Å²	179	135.4 Å²	135.4	84%	0.836	69%	0.687	S	S	*	*			trans	-57.6	90.7	170.7	-171.5	165.2	-179.4	0	0	106.2	Y363 A367	Y363-E365 PolarHBondContact O-N 2.83Å; E365-A367 PolarHBondContact O-N 2.87Å
366	L	44.6	Very low	40.5	Very low	164 Å²	164	137.6 Å²	137.6	86%	0.859	70%	0.695	S	S	*	*			trans	-67.2	77.9	155	-84.1	150.4	0	0	0	104	P364	P364-L366 PolarHBondContact O-N 3.18Å
367	A	33.8	Very low	39.4	Very low	61 Å²	61	142.3 Å²	142.3	50%	0.504	73%	0.725	S	S	.	*			trans	-46	127.5	161.2	0	0	0	0	0	105.7	E365 E369	E365-A367 PolarHBondContact O-N 2.87Å; A367-E369 PolarHBondContact O-N 3.3Å
368	P	41.3	Very low	38.3	Very low	122 Å²	122	143.8 Å²	143.8	79%	0.792	75%	0.75	S	S	*	*			trans	-64.7	97.1	166	26.5	-27.8	0	0	0	105.1	S370	P368-S370 VanDerWaalsContact C-N 3.26Å; P368-S370 PolarHBondContact O-N 2.89Å
369	E	34.7	Very low	37.3	Very low	186 Å²	186	143.9 Å²	143.9	87%	0.869	76%	0.755	S	S	*	*			trans	-54.2	105.3	159.7	-103.9	-167.9	139.5	0	0	105.1	A367	A367-E369 PolarHBondContact O-N 3.3Å
370	S	35.3	Very low	36.5	Very low	92 Å²	92	148.6 Å²	148.6	64%	0.643	77%	0.765	S	S	*	*			trans	-65.7	126.8	166.2	9.5	0	0	0	0	104.8	P368 E372	P368-S370 VanDerWaalsContact C-N 3.26Å; P368-S370 PolarHBondContact O-N 2.89Å; S370-E372 VanDerWaalsContact C-N 3.27Å; S370-E372 PolarHBondContact O-N 3.01Å
371	P	38.8	Very low	35.7	Very low	117 Å²	117	148.6 Å²	148.6	76%	0.76	77%	0.765	S	S	*	*			trans	-66.5	98.1	167.7	25.5	-28.8	0	0	0	106.7	L373	P371-L373 PolarHBondContact O-N 3.46Å
372	E	31.3	Very low	34.9	Very low	181 Å²	181	147.7 Å²	147.7	85%	0.846	79%	0.787	S	S	*	*			trans	-59.1	104.1	168.4	-77.1	-170.9	143	0	0	108.2	S370 K374	S370-E372 VanDerWaalsContact C-N 3.27Å; S370-E372 PolarHBondContact O-N 3.01Å; E372-K374 PolarHBondContact O-N 3.05Å
373	L	41.6	Very low	34.7	Very low	167 Å²	167	142.9 Å²	142.9	87%	0.874	78%	0.784	S	S	*	*			trans	-67.2	101.8	163.3	-98.3	111.8	0	0	0	108.4	P371	P371-L373 PolarHBondContact O-N 3.46Å
374	K	31.3	Very low	34.3	Very low	195 Å²	195	146.7 Å²	146.7	85%	0.848	80%	0.797	S	S	*	*			trans	-60.7	123	173.2	-132.4	173.9	-171.4	170.1	0	110.2	E372 R376	E372-K374 PolarHBondContact O-N 3.05Å; K374-R376 PolarHBondContact O-N 3.26Å
375	P	33.3	Very low	34.1	Very low	124 Å²	124	150.2 Å²	150.2	81%	0.805	80%	0.803	S	S	*	*			trans	-78.5	113.1	172.4	27.6	-24.5	0	0	0	108.9	S377	P375-S377 PolarHBondContact O-N 3.47Å
376	R	31.7	Very low	33.8	Very low	256 Å²	256	147.8 Å²	147.8	97%	0.966	80%	0.8	S	S	*	*			trans	-92	94.1	176.1	-160	173.1	166.5	164.7	-4.3	109.5	K374	K374-R376 PolarHBondContact O-N 3.26Å
377	S	32.8	Very low	33.1	Very low	121 Å²	121	145.3 Å²	145.3	85%	0.846	80%	0.797	S	S	*	*			trans	-92.3	132.4	172.7	171.7	0	0	0	0	111.3	P375	P375-S377 PolarHBondContact O-N 3.47Å
378	G	32.5	Very low	33.4	Very low	68 Å²	68	148.2 Å²	148.2	70%	0.701	81%	0.813	S	S	*	*			trans	108.9	92.4	154.5	0	0	0	0	0	116.4
379	S	30.6	Very low	33	Very low	110 Å²	110	146.2 Å²	146.2	77%	0.769	82%	0.815	S	S	*	*				89.6	105.1	82.4	-151.9	0	0	0	0	113.1
380	R	33.1	Very low	33.1	Very low	207 Å²	207	142.2 Å²	142.2	78%	0.781	81%	0.813	S	S	*	*				154.7	156.2	99.9	-88.1	175.7	-168.6	-176.8	3.3	105.6
381	R	32.2	Very low	32.9	Very low	220 Å²	220	144 Å²	144	83%	0.83	83%	0.825	S	S	*	*			cis	-172.3	154.7	14.1	-127.6	175.2	-170.7	-171.7	1.5	107.5
382	G	29.1	Very low	33.1	Very low	83 Å²	83	141.5 Å²	141.5	86%	0.856	82%	0.82	S	S	*	*			trans	87.6	124.3	156.4	0	0	0	0	0	113.9
383	G	30.5	Very low	33.5	Very low	73 Å²	73	142.8 Å²	142.8	75%	0.753	83%	0.826	S	S	*	*			cis	143.9	120.1	10.4	0	0	0	0	0	107.1
384	W	28.3	Very low	33.7	Very low	256 Å²	256	139.9 Å²	139.9	97%	0.97	83%	0.826	S	S	*	*			trans	-172.9	164.9	135.1	-124.7	-34.8	0	0	0	110.7
385	K	31.4	Very low	34.6	Very low	173 Å²	173	135.1 Å²	135.1	75%	0.752	82%	0.823	S	S	*	*			trans	-102.4	158.9	-153.8	-76.7	175.9	167.2	177.1	0	112.2
386	T	31.7	Very low	35.3	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	82%	0.817	S	S	*	*			trans	56.9	123.6	139.8	52.6	0	0	0	0	119.7
387	S	30.7	Very low	36.3	Very low	112 Å²	112	127.5 Å²	127.5	78%	0.783	80%	0.803	S	S	*	*				-178	148.5	89.3	61.1	0	0	0	0	112.4
388	S	38.4	Very low	37.4	Very low	121 Å²	121	124 Å²	124	85%	0.846	79%	0.785	S	S	*	*			trans	-42.6	146.2	166.5	48.2	0	0	0	0	116.1
389	G	32.9	Very low	38.6	Very low	80 Å²	80	128.4 Å²	128.4	83%	0.825	79%	0.785	S	S	*	*			trans	176.3	121	165.2	0	0	0	0	0	112.4
390	A	37.1	Very low	40.1	Very low	102 Å²	102	129 Å²	129	84%	0.843	78%	0.776	S	S	*	*			trans	-71.1	162.3	-169.3	0	0	0	0	0	116.8
391	C	30.9	Very low	41.7	Very low	131 Å²	131	125.9 Å²	125.9	89%	0.885	77%	0.77	S	S	*	*			trans	86.9	107.7	139.4	-141.6	0	0	0	0	120.2
392	G	42.9	Very low	43.6	Very low	64 Å²	64	121.9 Å²	121.9	66%	0.66	76%	0.761	S	S	*	*				82.6	92.9	117.2	0	0	0	0	0	119.1
393	Q	39.6	Very low	45.8	Very low	207 Å²	207	120.2 Å²	120.2	97%	0.967	74%	0.739	S	S	*	*			trans	174.8	91.9	134.3	-97.4	161.9	5.6	0	0	109
394	A	46.7	Very low	48	Very low	107 Å²	107	125.3 Å²	125.3	88%	0.884	74%	0.736	S	S	*	*			trans	-137.5	88.3	174.5	0	0	0	0	0	108.5
395	A	50	Low	50.4	Low	95 Å²	95	115.8 Å²	115.8	79%	0.785	71%	0.711	S	S	*	*	S	Bend	trans	-158	-9.7	171.9	0	0	0	0	0	115.3
396	S	49.1	Very low	52.8	Low	96 Å²	96	110.5 Å²	110.5	67%	0.671	69%	0.694	S	S	*	*	S	Bend	trans	-106.3	-30.1	-179.7	-160.5	0	0	0	0	114.1
397	D	52.1	Low	55.3	Low	124 Å²	124	110.2 Å²	110.2	66%	0.663	69%	0.685	S	S	*	*	H	α-helix	trans	-76.5	-31.1	-172.6	-143.7	22	0	0	0	113	K399 E400 E401	D397-K399 VanDerWaalsContact C-N 3.34Å; D397-K399 PolarHBondContact O-N 2.97Å; D397-E400 PolarHBondContact O-N 3.44Å; D397-E401 PolarHBondContact O-N 2.7Å
398	G	55.8	Low	58	Low	47 Å²	47	110.2 Å²	110.2	49%	0.485	68%	0.676	S	S	.	*	H	α-helix	trans	-70.5	-24.6	178.9	0	0	0	0	0	114.4	E402	G398-E402 WeakPolarHBondContact O-CB 3.48Å; G398-E402 PolarHBondContact O-N 3.39Å
399	K	57.8	Low	60.2	Low	161 Å²	161	111 Å²	111	70%	0.7	67%	0.666	S	S	*	*	H	α-helix	trans	-75.5	-33.3	177.9	-95	-178.4	177.2	176.3	0	112.6	D397 A403	D397-K399 VanDerWaalsContact C-N 3.34Å; D397-K399 PolarHBondContact O-N 2.97Å; K399-A403 VanDerWaalsContact O-CB 3.28Å; K399-A403 WeakPolarHBondContact O-CB 3.44Å; K399-A403 PolarHBondContact O-N 3.48Å
400	E	62.4	Low	62.7	Low	123 Å²	123	114.5 Å²	114.5	58%	0.575	66%	0.658	S	S	*	*	H	α-helix	trans	-74.2	-42.6	175.6	-69.9	-169	172.4	0	0	110.7	D397 E402 A403 W404	D397-E400 PolarHBondContact O-N 3.44Å; E400-E402 PolarHBondContact O-N 3.3Å; E400-A403 PolarHBondContact O-N 3.19Å; E400-W404 PolarHBondContact O-N 3.43Å
401	E	66.7	Low	65.2	Low	140 Å²	140	111.9 Å²	111.9	65%	0.654	64%	0.637	S	S	*	*	H	α-helix	trans	-62.2	-39.9	173.7	-72.9	-158.9	148.9	0	0	112.8	D397 W404 A405	D397-E401 PolarHBondContact O-N 2.7Å; E401-W404 PolarHBondContact O-N 3.3Å; E401-A405 VanDerWaalsContact O-CB 3.3Å; E401-A405 WeakPolarHBondContact O-CB 3.34Å; E401-A405 PolarHBondContact O-N 3.29Å
402	E	70.7	Confident	68	Low	136 Å²	136	109.9 Å²	109.9	64%	0.636	62%	0.616	S	S	*	*	H	α-helix	trans	-68.8	-34.6	176	-165.3	170.2	-161	0	0	111.7	G398 E400 T406	G398-E402 WeakPolarHBondContact O-CB 3.48Å; G398-E402 PolarHBondContact O-N 3.39Å; E400-E402 PolarHBondContact O-N 3.3Å; E402-T406 WeakPolarHBondContact O-CB 3.42Å; E402-T406 VanDerWaalsContact O-CG2 3.25Å; E402-T406 WeakPolarHBondContact O-CG2 3.36Å; E402-T406 PolarHBondContact O-N 2.97Å; E402-T406 PolarHBondContact O-OG1 2.91Å
403	A	75.1	Confident	70.2	Confident	48 Å²	48	114.4 Å²	114.4	40%	0.397	62%	0.615	S	S	.	*	H	α-helix	trans	-67.1	-41.3	171.7	0	0	0	0	0	112.5	K399 E400 T406 M407	K399-A403 VanDerWaalsContact O-CB 3.28Å; K399-A403 WeakPolarHBondContact O-CB 3.44Å; K399-A403 PolarHBondContact O-N 3.48Å; E400-A403 PolarHBondContact O-N 3.19Å; A403-T406 WeakPolarHBondContact CA-OG1 3.38Å; A403-T406 PolarHBondContact O-OG1 2.97Å; A403-M407 WeakPolarHBondContact O-CB 3.22Å; A403-M407 WeakPolarHBondContact O-CG 3.46Å; A403-M407 PolarHBondContact O-N 3.31Å
404	W	76.6	Confident	72.4	Confident	181 Å²	181	107 Å²	107	69%	0.686	59%	0.586	S	S	*	*	H	α-helix	trans	-67.6	-40.2	175.1	-76.5	117	0	0	0	112.4	E400 E401 M407 L408	E400-W404 PolarHBondContact O-N 3.43Å; E401-W404 PolarHBondContact O-N 3.3Å; W404-M407 HydrophobicContact CE3-SD 4.37Å; W404-M407 HydrophobicContact CZ3-SD 4.34Å; W404-M407 PolarHBondContact O-N 2.89Å; W404-L408 WeakPolarHBondContact O-CB 3.47Å; W404-L408 PolarHBondContact O-N 2.65Å
405	A	78.7	Confident	74.6	Confident	55 Å²	55	106.5 Å²	106.5	46%	0.455	57%	0.572	S	S	.	*	H	α-helix	trans	-62.6	-44.3	175.4	0	0	0	0	0	111.8	E401 L408 E409	E401-A405 VanDerWaalsContact O-CB 3.3Å; E401-A405 WeakPolarHBondContact O-CB 3.34Å; E401-A405 PolarHBondContact O-N 3.29Å; A405-L408 PolarHBondContact O-N 2.92Å; A405-E409 WeakPolarHBondContact O-CB 3.49Å; A405-E409 PolarHBondContact O-N 3.41Å
406	T	82.6	Confident	76.4	Confident	62 Å²	62	108.9 Å²	108.9	38%	0.38	56%	0.56	S	S	.	*	H	α-helix	trans	-69.2	-32.8	176.9	54.8	0	0	0	0	112.9	E402 A403 K410	E402-T406 WeakPolarHBondContact O-CB 3.42Å; E402-T406 VanDerWaalsContact O-CG2 3.25Å; E402-T406 WeakPolarHBondContact O-CG2 3.36Å; E402-T406 PolarHBondContact O-N 2.97Å; E402-T406 PolarHBondContact O-OG1 2.91Å; A403-T406 WeakPolarHBondContact CA-OG1 3.38Å; A403-T406 PolarHBondContact O-OG1 2.97Å; T406-K410 WeakPolarHBondContact O-CB 3.25Å; T406-K410 VanDerWaalsContact O-CG 3.28Å; T406-K410 WeakPolarHBondContact O-CG 3.25Å; T406-K410 PolarHBondContact O-N 3.32Å; T406-K410 VanDerWaalsContact O-N 3.12Å
407	M	83.8	Confident	78.4	Confident	122 Å²	122	110.8 Å²	110.8	60%	0.601	55%	0.554	S	S	*	*	H	α-helix	trans	-66.3	-43.6	170.6	-80	-169.1	157.9	0	0	112.1	A403 W404 K410 A411	A403-M407 WeakPolarHBondContact O-CB 3.22Å; A403-M407 WeakPolarHBondContact O-CG 3.46Å; A403-M407 PolarHBondContact O-N 3.31Å; W404-M407 HydrophobicContact CE3-SD 4.37Å; W404-M407 HydrophobicContact CZ3-SD 4.34Å; W404-M407 PolarHBondContact O-N 2.89Å; M407-K410 PolarHBondContact O-N 3.23Å; M407-A411 WeakPolarHBondContact O-CB 3.34Å; M407-A411 PolarHBondContact O-N 2.78Å
408	L	87.1	Confident	80.1	Confident	113 Å²	113	109.1 Å²	109.1	59%	0.592	54%	0.544	S	S	*	.	H	α-helix	trans	-63.7	-41.9	177.4	-166.5	78.7	0	0	0	111.2	W404 A405 A411 I412	W404-L408 WeakPolarHBondContact O-CB 3.47Å; W404-L408 PolarHBondContact O-N 2.65Å; A405-L408 PolarHBondContact O-N 2.92Å; L408-A411 PolarHBondContact O-N 3.23Å; L408-I412 HydrophobicContact CD2-CD1 4.36Å; L408-I412 HydrophobicContact CG-CD1 4.06Å; L408-I412 WeakPolarHBondContact O-CB 3.39Å; L408-I412 VanDerWaalsContact O-CG1 3.26Å; L408-I412 WeakPolarHBondContact O-CG1 3.35Å; L408-I412 PolarHBondContact O-N 3.42Å
409	E	85.4	Confident	81.7	Confident	137 Å²	137	109.8 Å²	109.8	64%	0.64	54%	0.541	S	S	*	.	H	α-helix	trans	-63.9	-41.9	177	-169.9	175	-168	0	0	112	A405 A411 I412 Y413	A405-E409 WeakPolarHBondContact O-CB 3.49Å; A405-E409 PolarHBondContact O-N 3.41Å; E409-A411 PolarHBondContact O-N 3.45Å; E409-I412 PolarHBondContact O-N 3.03Å; E409-Y413 WeakPolarHBondContact O-CB 3.39Å; E409-Y413 PolarHBondContact O-N 3.24Å
410	K	85.8	Confident	83	Confident	153 Å²	153	110 Å²	110	67%	0.665	54%	0.538	S	S	*	.	H	α-helix	trans	-63.2	-39.2	173.4	-74.1	173.3	-175.5	174.6	0	112.3	T406 M407 Y413 S414	T406-K410 WeakPolarHBondContact O-CB 3.25Å; T406-K410 VanDerWaalsContact O-CG 3.28Å; T406-K410 WeakPolarHBondContact O-CG 3.25Å; T406-K410 PolarHBondContact O-N 3.32Å; T406-K410 VanDerWaalsContact O-N 3.12Å; M407-K410 PolarHBondContact O-N 3.23Å; K410-Y413 PolarHBondContact O-N 2.97Å; K410-S414 PolarHBondContact O-N 3.48Å; K410-S414 PolarHBondContact O-OG 3.21Å
411	A	89.6	Confident	84.2	Confident	48 Å²	48	108.7 Å²	108.7	40%	0.397	53%	0.531	S	S	.	.	H	α-helix	trans	-68.5	-40.2	175.8	0	0	0	0	0	112.3	M407 L408 E409 Y413 S414 V415	M407-A411 WeakPolarHBondContact O-CB 3.34Å; M407-A411 PolarHBondContact O-N 2.78Å; L408-A411 PolarHBondContact O-N 3.23Å; E409-A411 PolarHBondContact O-N 3.45Å; A411-Y413 VanDerWaalsContact C-N 3.32Å; A411-Y413 PolarHBondContact O-N 3.28Å; A411-S414 PolarHBondContact O-N 2.99Å; A411-S414 PolarHBondContact O-OG 3.23Å; A411-V415 VanDerWaalsContact O-CG2 3.3Å; A411-V415 WeakPolarHBondContact O-CG2 3.47Å; A411-V415 PolarHBondContact O-N 3.35Å
412	I	89.1	Confident	85.2	Confident	88 Å²	88	105.9 Å²	105.9	45%	0.451	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-40.2	173.9	-70	165.6	0	0	0	110.4	L408 E409 R416	L408-I412 HydrophobicContact CD2-CD1 4.36Å; L408-I412 HydrophobicContact CG-CD1 4.06Å; L408-I412 WeakPolarHBondContact O-CB 3.39Å; L408-I412 VanDerWaalsContact O-CG1 3.26Å; L408-I412 WeakPolarHBondContact O-CG1 3.35Å; L408-I412 PolarHBondContact O-N 3.42Å; E409-I412 PolarHBondContact O-N 3.03Å; I412-R416 VanDerWaalsContact O-CB 3.25Å; I412-R416 WeakPolarHBondContact O-CB 3.46Å; I412-R416 PolarHBondContact O-N 3.41Å
413	Y	88.5	Confident	85.9	Confident	159 Å²	159	108 Å²	108	62%	0.624	52%	0.522	S	S	*	.	H	α-helix	trans	-62.8	-44.9	175.3	-178.7	-94.3	0	0	0	112	E409 K410 A411 R416 Y417	E409-Y413 WeakPolarHBondContact O-CB 3.39Å; E409-Y413 PolarHBondContact O-N 3.24Å; K410-Y413 PolarHBondContact O-N 2.97Å; A411-Y413 VanDerWaalsContact C-N 3.32Å; A411-Y413 PolarHBondContact O-N 3.28Å; Y413-R416 PolarHBondContact O-N 3.21Å; Y413-Y417 WeakPolarHBondContact O-CB 3.41Å; Y413-Y417 PolarHBondContact O-N 3.46Å
414	S	87.5	Confident	86.2	Confident	53 Å²	53	112.8 Å²	112.8	37%	0.371	53%	0.534	S	S	.	.	H	α-helix	trans	-65.7	-42.2	178.5	66.2	0	0	0	0	112	K410 A411 R416 Y417 I418	K410-S414 PolarHBondContact O-N 3.48Å; K410-S414 PolarHBondContact O-OG 3.21Å; A411-S414 PolarHBondContact O-N 2.99Å; A411-S414 PolarHBondContact O-OG 3.23Å; S414-R416 PolarHBondContact O-N 3.23Å; S414-Y417 WeakPolarHBondContact O-CB 3.47Å; S414-Y417 PolarHBondContact O-N 3.48Å; S414-I418 WeakPolarHBondContact O-CB 3.42Å; S414-I418 WeakPolarHBondContact O-CD1 3.17Å; S414-I418 WeakPolarHBondContact O-CG1 3.46Å; S414-I418 PolarHBondContact O-N 2.94Å
415	V	91.6	Very high	86.5	Confident	95 Å²	95	107.5 Å²	107.5	58%	0.576	52%	0.517	S	S	*	.	H	α-helix	trans	-62.8	-42.3	174.3	173	0	0	0	0	111.3	A411 Y417 I418 S419	A411-V415 VanDerWaalsContact O-CG2 3.3Å; A411-V415 WeakPolarHBondContact O-CG2 3.47Å; A411-V415 PolarHBondContact O-N 3.35Å; V415-Y417 VanDerWaalsContact C-N 3.34Å; V415-Y417 PolarHBondContact O-N 3.2Å; V415-I418 PolarHBondContact O-N 3.47Å; V415-S419 WeakPolarHBondContact O-CB 3.45Å; V415-S419 PolarHBondContact O-N 2.86Å
416	R	88.5	Confident	86.8	Confident	145 Å²	145	109.4 Å²	109.4	55%	0.547	52%	0.516	S	S	.	.	H	α-helix	trans	-65.9	-37	176.3	-174.6	177.9	-89.5	158.5	-6.9	111.8	I412 Y413 S414 R420	I412-R416 VanDerWaalsContact O-CB 3.25Å; I412-R416 WeakPolarHBondContact O-CB 3.46Å; I412-R416 PolarHBondContact O-N 3.41Å; Y413-R416 PolarHBondContact O-N 3.21Å; S414-R416 PolarHBondContact O-N 3.23Å; R416-R420 WeakPolarHBondContact O-CB 3.48Å; R416-R420 VanDerWaalsContact O-CG 3.27Å; R416-R420 WeakPolarHBondContact O-CG 3.39Å; R416-R420 PolarHBondContact O-N 3Å
417	Y	90.3	Very high	86.7	Confident	136 Å²	136	112.1 Å²	112.1	53%	0.533	52%	0.523	S	S	.	.	H	α-helix	trans	-64.8	-48.1	173.5	178.9	-94.6	0	0	0	111.4	Y413 S414 V415 S419 R420 H421	Y413-Y417 WeakPolarHBondContact O-CB 3.41Å; Y413-Y417 PolarHBondContact O-N 3.46Å; S414-Y417 WeakPolarHBondContact O-CB 3.47Å; S414-Y417 PolarHBondContact O-N 3.48Å; V415-Y417 VanDerWaalsContact C-N 3.34Å; V415-Y417 PolarHBondContact O-N 3.2Å; Y417-S419 PolarHBondContact O-N 3.26Å; Y417-R420 PolarHBondContact O-N 3.49Å; Y417-H421 WeakPolarHBondContact O-CB 3.16Å; Y417-H421 PolarHBondContact O-N 2.89Å
418	I	89.5	Confident	86.6	Confident	89 Å²	89	108.3 Å²	108.3	46%	0.456	50%	0.504	S	S	.	.	H	α-helix	trans	-60	-47.7	176.9	-68.4	163.2	0	0	0	110.4	S414 V415 R420 H421 I422	S414-I418 WeakPolarHBondContact O-CB 3.42Å; S414-I418 WeakPolarHBondContact O-CD1 3.17Å; S414-I418 WeakPolarHBondContact O-CG1 3.46Å; S414-I418 PolarHBondContact O-N 2.94Å; V415-I418 PolarHBondContact O-N 3.47Å; I418-R420 VanDerWaalsContact C-N 3.34Å; I418-R420 PolarHBondContact O-N 3.45Å; I418-H421 PolarHBondContact O-N 3.25Å; I418-I422 HydrophobicContact CG2-CD1 3.54Å; I418-I422 HydrophobicContact CG2-CG1 4.22Å; I418-I422 WeakPolarHBondContact O-CB 3.4Å; I418-I422 VanDerWaalsContact O-CG1 3.27Å; I418-I422 WeakPolarHBondContact O-CG1 3.46Å; I418-I422 PolarHBondContact O-N 3.43Å
419	S	88.9	Confident	86.3	Confident	61 Å²	61	110 Å²	110	43%	0.427	50%	0.503	S	S	.	.	H	α-helix	trans	-58.9	-43.3	177.2	179	0	0	0	0	112.3	V415 Y417 R423	V415-S419 WeakPolarHBondContact O-CB 3.45Å; V415-S419 PolarHBondContact O-N 2.86Å; Y417-S419 PolarHBondContact O-N 3.26Å; S419-R423 WeakPolarHBondContact O-CB 3.42Å; S419-R423 PolarHBondContact O-N 3.13Å
420	R	85.5	Confident	86.1	Confident	167 Å²	167	107.6 Å²	107.6	63%	0.63	49%	0.492	S	S	*	.	H	α-helix	trans	-66.1	-40.9	175.5	-76.1	175.5	-179.5	168	-1.1	112.3	R416 Y417 I418 R423 K424	R416-R420 WeakPolarHBondContact O-CB 3.48Å; R416-R420 VanDerWaalsContact O-CG 3.27Å; R416-R420 WeakPolarHBondContact O-CG 3.39Å; R416-R420 PolarHBondContact O-N 3Å; Y417-R420 PolarHBondContact O-N 3.49Å; I418-R420 VanDerWaalsContact C-N 3.34Å; I418-R420 PolarHBondContact O-N 3.45Å; R420-R423 PolarHBondContact O-N 3.22Å; R420-K424 WeakPolarHBondContact O-CB 3.44Å; R420-K424 PolarHBondContact O-N 2.89Å
421	H	87.3	Confident	85.9	Confident	94 Å²	94	101.2 Å²	101.2	44%	0.435	47%	0.466	S	S	.	.	H	α-helix	trans	-63.9	-49	177.5	-171.4	-57.8	0	0	0	110.9	Y417 I418 R423 K424 E425	Y417-H421 WeakPolarHBondContact O-CB 3.16Å; Y417-H421 PolarHBondContact O-N 2.89Å; I418-H421 PolarHBondContact O-N 3.25Å; H421-R423 VanDerWaalsContact C-N 3.33Å; H421-R423 PolarHBondContact O-N 3.48Å; H421-K424 PolarHBondContact O-N 3.49Å; H421-E425 IonicContact CE1-OE2 2.69Å; H421-E425 IonicContact ND1-OE2 3.9Å; H421-E425 WeakPolarHBondContact O-CB 3.45Å; H421-E425 PolarHBondContact O-N 2.99Å
422	I	86.5	Confident	85.6	Confident	81 Å²	81	100.6 Å²	100.6	42%	0.415	46%	0.456	S	S	.	.	H	α-helix	trans	-57.4	-46.9	176.8	-71.1	171.4	0	0	0	110	I418 K424 E425 H426	I418-I422 HydrophobicContact CG2-CD1 3.54Å; I418-I422 HydrophobicContact CG2-CG1 4.22Å; I418-I422 WeakPolarHBondContact O-CB 3.4Å; I418-I422 VanDerWaalsContact O-CG1 3.27Å; I418-I422 WeakPolarHBondContact O-CG1 3.46Å; I418-I422 PolarHBondContact O-N 3.43Å; I422-K424 PolarHBondContact O-N 2.9Å; I422-E425 PolarHBondContact O-N 3.23Å; I422-H426 VanDerWaalsContact CG2-CD2 3.43Å; I422-H426 WeakPolarHBondContact CG2-CD2 3.22Å; I422-H426 PolarHBondContact O-CD2 3.29Å; I422-H426 PolarHBondContact O-N 3.37Å
423	R	85.6	Confident	85.3	Confident	182 Å²	182	100.4 Å²	100.4	69%	0.687	45%	0.454	S	S	*	.	H	α-helix	trans	-60.9	-43.6	177.2	-172.9	179.5	-63.7	-179.5	-1.4	112.7	S419 R420 H421 H426 F427	S419-R423 WeakPolarHBondContact O-CB 3.42Å; S419-R423 PolarHBondContact O-N 3.13Å; R420-R423 PolarHBondContact O-N 3.22Å; H421-R423 VanDerWaalsContact C-N 3.33Å; H421-R423 PolarHBondContact O-N 3.48Å; R423-H426 PolarHBondContact O-N 3.47Å; R423-F427 PolarHBondContact O-N 3.43Å
424	K	82.8	Confident	85.1	Confident	147 Å²	147	94 Å²	94	64%	0.639	43%	0.431	S	S	*	.	H	α-helix	trans	-64.8	-41.2	177.4	-175.3	178.7	178.3	-177.1	0	111.3	R420 H421 I422 F427 I428	R420-K424 WeakPolarHBondContact O-CB 3.44Å; R420-K424 PolarHBondContact O-N 2.89Å; H421-K424 PolarHBondContact O-N 3.49Å; I422-K424 PolarHBondContact O-N 2.9Å; K424-F427 PolarHBondContact O-N 3.44Å; K424-I428 HydrophobicContact CG-CD1 4.1Å; K424-I428 WeakPolarHBondContact O-CB 3.45Å; K424-I428 VanDerWaalsContact O-CG1 3.29Å; K424-I428 WeakPolarHBondContact O-CG1 3.49Å; K424-I428 PolarHBondContact O-N 2.89Å
425	E	82.6	Confident	85	Confident	71 Å²	71	92.5 Å²	92.5	33%	0.332	42%	0.417	S	S	.	.	H	α-helix	trans	-66.6	-40.3	177.7	-161.7	-173.1	153.8	0	0	111.7	H421 I422 I428 R429	H421-E425 IonicContact CE1-OE2 2.69Å; H421-E425 IonicContact ND1-OE2 3.9Å; H421-E425 WeakPolarHBondContact O-CB 3.45Å; H421-E425 PolarHBondContact O-N 2.99Å; I422-E425 PolarHBondContact O-N 3.23Å; E425-I428 PolarHBondContact O-N 3.07Å; E425-R429 WeakPolarHBondContact O-CB 3.47Å; E425-R429 VanDerWaalsContact O-CG 3.3Å; E425-R429 WeakPolarHBondContact O-CG 3.43Å; E425-R429 PolarHBondContact O-N 2.79Å; E425-R429 IonicContact OE1-CZ 3.11Å; E425-R429 IonicContact OE1-NE 3.35Å; E425-R429 PolarHBondContact OE1-NE 3.5Å; E425-R429 IonicContact OE1-NH2 2.66Å; E425-R429 PolarHBondContact OE1-NH2 3.26Å
426	H	83.5	Confident	84.7	Confident	94 Å²	94	90.3 Å²	90.3	44%	0.435	40%	0.399	S	S	.	.	H	α-helix	trans	-60.1	-48.6	172.4	-82.4	-68.7	0	0	0	112.1	I422 R423 I428 R429 E430	I422-H426 VanDerWaalsContact CG2-CD2 3.43Å; I422-H426 WeakPolarHBondContact CG2-CD2 3.22Å; I422-H426 PolarHBondContact O-CD2 3.29Å; I422-H426 PolarHBondContact O-N 3.37Å; R423-H426 PolarHBondContact O-N 3.47Å; H426-I428 VanDerWaalsContact C-N 3.3Å; H426-I428 PolarHBondContact O-N 3.44Å; H426-R429 PolarHBondContact O-N 3.2Å; H426-R429 VanDerWaalsContact O-N 3.13Å; H426-E430 WeakPolarHBondContact O-CG 3.39Å; H426-E430 PolarHBondContact O-N 3.31Å
427	F	81.7	Confident	84.6	Confident	120 Å²	120	84.4 Å²	84.4	53%	0.526	38%	0.378	S	S	.	.	H	α-helix	trans	-59	-42.5	177.2	178.1	-98.6	0	0	0	112.1	R423 K424 E430 V431	R423-F427 PolarHBondContact O-N 3.43Å; K424-F427 PolarHBondContact O-N 3.44Å; F427-E430 PolarHBondContact O-N 3.31Å; F427-V431 HydrophobicContact CD1-CG2 4.41Å; F427-V431 HydrophobicContact CE1-CG2 3.98Å; F427-V431 HydrophobicContact CE2-CG2 4.34Å; F427-V431 HydrophobicContact CZ-CG2 3.94Å; F427-V431 WeakPolarHBondContact O-CG2 3.42Å; F427-V431 PolarHBondContact O-N 2.85Å
428	I	80.7	Confident	84.5	Confident	41 Å²	41	78.1 Å²	78.1	21%	0.21	35%	0.354	C	S	.	.	H	α-helix	trans	-61.1	-46.5	175.2	-75.6	169	0	0	0	111	Y333 K424 E425 H426 E430 V431 V432	Y333-I428 HydrophobicContact CD1-CB 4.45Å; Y333-I428 HydrophobicContact CD1-CD1 4.08Å; Y333-I428 HydrophobicContact CD1-CG1 3.82Å; Y333-I428 HydrophobicContact CD1-CG2 3.95Å; Y333-I428 HydrophobicContact CE1-CB 4.27Å; Y333-I428 HydrophobicContact CE1-CD1 3.76Å; Y333-I428 HydrophobicContact CE1-CG1 3.86Å; Y333-I428 HydrophobicContact CE1-CG2 3.44Å; Y333-I428 VanDerWaalsContact CE1-CG2 3.44Å; K424-I428 HydrophobicContact CG-CD1 4.1Å; K424-I428 WeakPolarHBondContact O-CB 3.45Å; K424-I428 VanDerWaalsContact O-CG1 3.29Å; K424-I428 WeakPolarHBondContact O-CG1 3.49Å; K424-I428 PolarHBondContact O-N 2.89Å; E425-I428 PolarHBondContact O-N 3.07Å; H426-I428 VanDerWaalsContact C-N 3.3Å; H426-I428 PolarHBondContact O-N 3.44Å; I428-E430 VanDerWaalsContact C-N 3.32Å; I428-E430 PolarHBondContact O-N 2.94Å; I428-V431 PolarHBondContact O-N 3Å; I428-V432 HydrophobicContact CG2-CG2 4.47Å; I428-V432 VanDerWaalsContact O-CG2 3.26Å; I428-V432 WeakPolarHBondContact O-CG2 3.4Å; I428-V432 PolarHBondContact O-N 2.99Å
429	R	80.6	Confident	84.4	Confident	148 Å²	148	74 Å²	74	56%	0.558	33%	0.332	S	S	*	.	H	α-helix	trans	-61.2	-41.7	178.3	-74.1	176.4	-175.7	-144.1	-1.5	111.3	E425 H426 V432 Q433	E425-R429 WeakPolarHBondContact O-CB 3.47Å; E425-R429 VanDerWaalsContact O-CG 3.3Å; E425-R429 WeakPolarHBondContact O-CG 3.43Å; E425-R429 PolarHBondContact O-N 2.79Å; E425-R429 IonicContact OE1-CZ 3.11Å; E425-R429 IonicContact OE1-NE 3.35Å; E425-R429 PolarHBondContact OE1-NE 3.5Å; E425-R429 IonicContact OE1-NH2 2.66Å; E425-R429 PolarHBondContact OE1-NH2 3.26Å; H426-R429 PolarHBondContact O-N 3.2Å; H426-R429 VanDerWaalsContact O-N 3.13Å; R429-V432 PolarHBondContact O-N 2.88Å; R429-Q433 VanDerWaalsContact O-CG 3.24Å; R429-Q433 WeakPolarHBondContact O-CG 3.41Å; R429-Q433 PolarHBondContact O-N 3.34Å
430	E	81.3	Confident	84.4	Confident	88 Å²	88	75.2 Å²	75.2	41%	0.411	33%	0.331	S	S	.	.	H	α-helix	trans	-59.7	-49.8	175.7	-74.8	173.1	-174.1	0	0	111.6	H426 F427 I428 V432 Q433 D434	H426-E430 WeakPolarHBondContact O-CG 3.39Å; H426-E430 PolarHBondContact O-N 3.31Å; F427-E430 PolarHBondContact O-N 3.31Å; I428-E430 VanDerWaalsContact C-N 3.32Å; I428-E430 PolarHBondContact O-N 2.94Å; E430-V432 VanDerWaalsContact C-N 3.29Å; E430-V432 PolarHBondContact O-N 3.12Å; E430-Q433 PolarHBondContact O-N 2.95Å; E430-Q433 VanDerWaalsContact O-N 3.13Å; E430-D434 PolarHBondContact O-N 3.38Å
431	V	82	Confident	84.5	Confident	19 Å²	19	67.2 Å²	67.2	12%	0.115	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-39.6	178.4	174.1	0	0	0	0	111.6	F427 I428 D434 W435	F427-V431 HydrophobicContact CD1-CG2 4.41Å; F427-V431 HydrophobicContact CE1-CG2 3.98Å; F427-V431 HydrophobicContact CE2-CG2 4.34Å; F427-V431 HydrophobicContact CZ-CG2 3.94Å; F427-V431 WeakPolarHBondContact O-CG2 3.42Å; F427-V431 PolarHBondContact O-N 2.85Å; I428-V431 PolarHBondContact O-N 3Å; V431-D434 PolarHBondContact O-N 2.98Å; V431-W435 VanDerWaalsContact O-CD1 3.26Å; V431-W435 PolarHBondContact O-N 3.48Å; V431-W435 VanDerWaalsContact O-N 3.13Å
432	V	82.9	Confident	84.7	Confident	34 Å²	34	63.5 Å²	63.5	21%	0.206	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-46.2	175.2	172.6	0	0	0	0	110.9	S329 I428 R429 E430 D434 W435 K436	S329-V432 VanDerWaalsContact OG-CA 3.28Å; S329-V432 WeakPolarHBondContact OG-CA 3.46Å; S329-V432 WeakPolarHBondContact OG-CG2 3.44Å; S329-V432 PolarHBondContact OG-N 2.95Å; I428-V432 HydrophobicContact CG2-CG2 4.47Å; I428-V432 VanDerWaalsContact O-CG2 3.26Å; I428-V432 WeakPolarHBondContact O-CG2 3.4Å; I428-V432 PolarHBondContact O-N 2.99Å; R429-V432 PolarHBondContact O-N 2.88Å; E430-V432 VanDerWaalsContact C-N 3.29Å; E430-V432 PolarHBondContact O-N 3.12Å; V432-D434 VanDerWaalsContact C-N 3.33Å; V432-D434 PolarHBondContact O-N 3.05Å; V432-W435 PolarHBondContact O-N 2.99Å; V432-K436 HydrophobicContact CG1-CD 4.42Å; V432-K436 HydrophobicContact CG1-CG 4.5Å; V432-K436 WeakPolarHBondContact O-CG 3.49Å; V432-K436 PolarHBondContact O-N 3.36Å
433	Q	82.7	Confident	84.9	Confident	85 Å²	85	60.1 Å²	60.1	40%	0.397	27%	0.267	S	S	.	.	H	α-helix	trans	-64.4	-37.6	179.1	-69.5	-63.6	-35.4	0	0	112.2	R429 E430 K436 F437	R429-Q433 VanDerWaalsContact O-CG 3.24Å; R429-Q433 WeakPolarHBondContact O-CG 3.41Å; R429-Q433 PolarHBondContact O-N 3.34Å; E430-Q433 PolarHBondContact O-N 2.95Å; E430-Q433 VanDerWaalsContact O-N 3.13Å; Q433-K436 PolarHBondContact O-N 2.89Å; Q433-F437 WeakPolarHBondContact O-CB 3.36Å; Q433-F437 PolarHBondContact O-N 2.72Å
434	D	84.8	Confident	85.1	Confident	25 Å²	25	55.7 Å²	55.7	13%	0.134	25%	0.25	C	S	.	.	H	α-helix	trans	-59.8	-47.6	173.7	-82.8	-15.6	0	0	0	111.1	M336 H357 E430 V431 V432 K436 F437 V438	M336-D434 VanDerWaalsContact CE-C 3.42Å; M336-D434 HydrophobicContact CE-CB 3.78Å; M336-D434 HydrophobicContact SD-CB 4.02Å; H357-D434 IonicContact CD2-OD1 3.73Å; H357-D434 IonicContact CE1-OD1 3.75Å; H357-D434 IonicContact NE2-OD1 3.3Å; H357-D434 PolarHBondContact NE2-OD1 3.34Å; E430-D434 PolarHBondContact O-N 3.38Å; V431-D434 PolarHBondContact O-N 2.98Å; V432-D434 VanDerWaalsContact C-N 3.33Å; V432-D434 PolarHBondContact O-N 3.05Å; D434-K436 PolarHBondContact O-N 3.34Å; D434-F437 PolarHBondContact O-N 3.13Å; D434-V438 WeakPolarHBondContact O-CG2 3.13Å; D434-V438 PolarHBondContact O-N 2.81Å
435	W	85	Confident	85.5	Confident	21 Å²	21	51 Å²	51	8%	0.08	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-39.1	178.1	-82.7	107.4	0	0	0	112.7	V325 M336 V431 V432 F437 V438 A439	V325-W435 HydrophobicContact CG1-CE3 3.81Å; V325-W435 HydrophobicContact CG1-CZ3 3.98Å; M336-W435 HydrophobicContact CE-CB 3.94Å; M336-W435 HydrophobicContact CE-CD2 3.31Å; M336-W435 HydrophobicContact CE-CE3 3.77Å; M336-W435 HydrophobicContact CE-CG 3.38Å; M336-W435 HydrophobicContact CE-CZ2 4.3Å; M336-W435 HydrophobicContact CE-CZ3 4.41Å; M336-W435 VanDerWaalsContact CE-N 3.29Å; M336-W435 HydrophobicContact CG-CD2 4.28Å; M336-W435 HydrophobicContact CG-CH2 4.47Å; M336-W435 HydrophobicContact CG-CZ2 3.69Å; V431-W435 VanDerWaalsContact O-CD1 3.26Å; V431-W435 PolarHBondContact O-N 3.48Å; V431-W435 VanDerWaalsContact O-N 3.13Å; V432-W435 PolarHBondContact O-N 2.99Å; W435-F437 VanDerWaalsContact C-N 3.32Å; W435-F437 PolarHBondContact O-N 3.31Å; W435-V438 PolarHBondContact O-N 2.72Å; W435-A439 PolarHBondContact O-N 2.9Å
436	K	86.5	Confident	86	Confident	49 Å²	49	50 Å²	50	21%	0.213	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-42.8	172.8	-71.1	-170.1	171.2	-148.1	0	111.6	D265 V432 Q433 D434 A439 Q440	D265-K436 IonicContact OD1-NZ 3.18Å; D265-K436 PolarHBondContact OD1-NZ 2.94Å; V432-K436 HydrophobicContact CG1-CD 4.42Å; V432-K436 HydrophobicContact CG1-CG 4.5Å; V432-K436 WeakPolarHBondContact O-CG 3.49Å; V432-K436 PolarHBondContact O-N 3.36Å; Q433-K436 PolarHBondContact O-N 2.89Å; D434-K436 PolarHBondContact O-N 3.34Å; K436-A439 WeakPolarHBondContact O-CB 3.44Å; K436-A439 PolarHBondContact O-N 3.13Å; K436-Q440 WeakPolarHBondContact O-CG 3.38Å; K436-Q440 PolarHBondContact O-N 3Å
437	F	86.1	Confident	86.4	Confident	21 Å²	21	46.5 Å²	46.5	9%	0.092	21%	0.211	C	C	.	.	H	α-helix	trans	-65.6	-40.6	176.6	-174.8	-95.7	0	0	0	111.8	L345 P349 H357 Q433 D434 W435 A439 Q440 V441	L345-F437 HydrophobicContact CD2-CD1 3.46Å; L345-F437 VanDerWaalsContact CD2-CD1 3.46Å; L345-F437 HydrophobicContact CD2-CE1 4.04Å; L345-F437 HydrophobicContact CD2-CG 4.47Å; P349-F437 HydrophobicContact CB-CE1 4.42Å; P349-F437 HydrophobicContact CB-CZ 4.21Å; P349-F437 HydrophobicContact CG-CE1 3.73Å; P349-F437 HydrophobicContact CG-CZ 4.02Å; H357-F437 HydrophobicContact CB-CD1 4.33Å; H357-F437 HydrophobicContact CB-CE1 4.16Å; H357-F437 HydrophobicContact CB-CE2 4.44Å; H357-F437 HydrophobicContact CB-CZ 4.21Å; Q433-F437 WeakPolarHBondContact O-CB 3.36Å; Q433-F437 PolarHBondContact O-N 2.72Å; D434-F437 PolarHBondContact O-N 3.13Å; W435-F437 VanDerWaalsContact C-N 3.32Å; W435-F437 PolarHBondContact O-N 3.31Å; F437-A439 VanDerWaalsContact C-N 3.32Å; F437-A439 PolarHBondContact O-N 3.06Å; F437-Q440 WeakPolarHBondContact O-CB 3.28Å; F437-Q440 PolarHBondContact O-N 3.37Å; F437-V441 HydrophobicContact CD1-CG2 3.99Å; F437-V441 HydrophobicContact CE1-CG2 3.63Å; F437-V441 HydrophobicContact CZ-CG2 4.01Å; F437-V441 WeakPolarHBondContact O-CG2 3.46Å; F437-V441 PolarHBondContact O-N 3.46Å
438	V	87.8	Confident	86.9	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.024	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-43.6	173.1	171.9	0	0	0	0	111.3	V325 M336 F344 L345 D434 W435 V441 L442	V325-V438 HydrophobicContact CG1-CG1 4.12Å; M336-V438 HydrophobicContact CE-CB 4.32Å; M336-V438 HydrophobicContact CE-CG2 3.56Å; M336-V438 HydrophobicContact SD-CG2 4.37Å; F344-V438 HydrophobicContact CB-CB 4.43Å; F344-V438 HydrophobicContact CB-CG1 4.1Å; F344-V438 HydrophobicContact CB-CG2 3.79Å; F344-V438 HydrophobicContact CD1-CG1 4.02Å; F344-V438 HydrophobicContact CD2-CG1 4.36Å; F344-V438 HydrophobicContact CG-CG1 3.9Å; F344-V438 HydrophobicContact CG-CG2 4.48Å; L345-V438 HydrophobicContact CD2-CG2 4.01Å; D434-V438 WeakPolarHBondContact O-CG2 3.13Å; D434-V438 PolarHBondContact O-N 2.81Å; W435-V438 PolarHBondContact O-N 2.72Å; V438-V441 PolarHBondContact O-N 3.05Å; V438-L442 HydrophobicContact CG1-CD1 4.26Å; V438-L442 WeakPolarHBondContact O-CG 3.49Å; V438-L442 PolarHBondContact O-N 3.43Å
439	A	88.1	Confident	87.5	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-41.7	175.3	0	0	0	0	0	112.2	V322 V325 H326 W435 K436 F437 V441 L442 D443	V322-A439 HydrophobicContact CG1-CB 4.05Å; V325-A439 HydrophobicContact CG1-CB 4.32Å; H326-A439 HydrophobicContact CB-CB 3.83Å; W435-A439 PolarHBondContact O-N 2.9Å; K436-A439 WeakPolarHBondContact O-CB 3.44Å; K436-A439 PolarHBondContact O-N 3.13Å; F437-A439 VanDerWaalsContact C-N 3.32Å; F437-A439 PolarHBondContact O-N 3.06Å; A439-V441 PolarHBondContact O-N 3.46Å; A439-L442 WeakPolarHBondContact O-CB 3.29Å; A439-L442 PolarHBondContact O-N 2.86Å; A439-D443 PolarHBondContact O-N 3.3Å
440	Q	87.6	Confident	88	Confident	87 Å²	87	41.3 Å²	41.3	41%	0.407	20%	0.195	S	C	.	.	H	α-helix	trans	-62.9	-39.7	174.9	-71.7	175.1	-11.8	0	0	112.7	K436 F437 D443 R444	K436-Q440 WeakPolarHBondContact O-CG 3.38Å; K436-Q440 PolarHBondContact O-N 3Å; F437-Q440 WeakPolarHBondContact O-CB 3.28Å; F437-Q440 PolarHBondContact O-N 3.37Å; Q440-D443 PolarHBondContact O-N 3.37Å; Q440-R444 VanDerWaalsContact O-CG 3.3Å; Q440-R444 WeakPolarHBondContact O-CG 3.24Å; Q440-R444 PolarHBondContact O-N 3.37Å; Q440-R444 VanDerWaalsContact O-N 3.1Å
441	V	89.3	Confident	88.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-42.7	175.9	172.5	0	0	0	0	110.5	F344 L348 P349 L352 M354 F437 V438 A439 R444 I445	F344-V441 HydrophobicContact CD1-CB 4.48Å; F344-V441 HydrophobicContact CD1-CG1 4.01Å; L348-V441 HydrophobicContact CB-CG1 3.84Å; L348-V441 HydrophobicContact CD1-CG1 4.39Å; P349-V441 HydrophobicContact CG-CG2 4.06Å; L352-V441 HydrophobicContact CD1-CG1 4.01Å; M354-V441 HydrophobicContact SD-CG2 4.15Å; F437-V441 HydrophobicContact CD1-CG2 3.99Å; F437-V441 HydrophobicContact CE1-CG2 3.63Å; F437-V441 HydrophobicContact CZ-CG2 4.01Å; F437-V441 WeakPolarHBondContact O-CG2 3.46Å; F437-V441 PolarHBondContact O-N 3.46Å; V438-V441 PolarHBondContact O-N 3.05Å; A439-V441 PolarHBondContact O-N 3.46Å; V441-R444 PolarHBondContact O-N 3.13Å; V441-I445 HydrophobicContact CG1-CD1 4.03Å; V441-I445 WeakPolarHBondContact O-CG1 3.3Å; V441-I445 PolarHBondContact O-N 2.91Å
442	L	89.8	Confident	89.1	Confident	16 Å²	16	42.3 Å²	42.3	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-47.4	174.4	-77.2	168	0	0	0	111.8	F321 V322 V325 F344 V438 A439 R444 I445 F446	F321-L442 HydrophobicContact CE1-CD1 4.17Å; V322-L442 HydrophobicContact CG2-CB 4.11Å; V325-L442 HydrophobicContact CB-CD1 4.42Å; V325-L442 HydrophobicContact CG1-CD1 4.06Å; V325-L442 HydrophobicContact CG2-CD1 4.28Å; F344-L442 HydrophobicContact CD1-CD2 4.49Å; F344-L442 HydrophobicContact CD1-CG 4.34Å; F344-L442 HydrophobicContact CE1-CD1 4.43Å; F344-L442 HydrophobicContact CE1-CD2 3.4Å; F344-L442 VanDerWaalsContact CE1-CD2 3.4Å; F344-L442 HydrophobicContact CE1-CG 3.66Å; F344-L442 HydrophobicContact CZ-CD2 3.76Å; F344-L442 HydrophobicContact CZ-CG 4.3Å; V438-L442 HydrophobicContact CG1-CD1 4.26Å; V438-L442 WeakPolarHBondContact O-CG 3.49Å; V438-L442 PolarHBondContact O-N 3.43Å; A439-L442 WeakPolarHBondContact O-CB 3.29Å; A439-L442 PolarHBondContact O-N 2.86Å; L442-R444 VanDerWaalsContact C-N 3.27Å; L442-R444 PolarHBondContact O-N 2.85Å; L442-I445 PolarHBondContact O-N 2.73Å; L442-I445 VanDerWaalsContact O-N 3.14Å; L442-F446 HydrophobicContact CB-CD2 4.34Å; L442-F446 HydrophobicContact CB-CE2 4.19Å; L442-F446 HydrophobicContact CD2-CE2 3.96Å; L442-F446 WeakPolarHBondContact O-CD2 3.43Å; L442-F446 PolarHBondContact O-N 2.98Å
443	D	91.1	Very high	89.5	Confident	10 Å²	10	43.9 Å²	43.9	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-55.5	-42.1	176.3	-90.9	-25.4	0	0	0	112.1	K269 V322 A439 Q440 F446 L447	K269-D443 IonicContact NZ-OD1 2.73Å; K269-D443 PolarHBondContact NZ-OD1 2.79Å; K269-D443 IonicContact NZ-OD2 3.38Å; K269-D443 PolarHBondContact NZ-OD2 3.44Å; V322-D443 WeakPolarHBondContact CG1-OD1 3.26Å; A439-D443 PolarHBondContact O-N 3.3Å; Q440-D443 PolarHBondContact O-N 3.37Å; D443-F446 PolarHBondContact O-N 3.42Å; D443-L447 VanDerWaalsContact O-CB 3.23Å; D443-L447 WeakPolarHBondContact O-CB 3.4Å; D443-L447 PolarHBondContact O-N 2.83Å
444	R	90.4	Very high	89.9	Confident	88 Å²	88	40.3 Å²	40.3	33%	0.332	20%	0.199	S	C	.	.	H	α-helix	trans	-67.5	-38.2	177.6	-67.7	-69.7	-179.4	178.9	-4.2	113.1	L352 M354 Q440 V441 L442 L447 W448	L352-R444 HydrophobicContact CD1-CB 4.48Å; M354-R444 HydrophobicContact CE-CG 3.92Å; M354-R444 HydrophobicContact SD-CB 4.31Å; M354-R444 HydrophobicContact SD-CG 3.92Å; Q440-R444 VanDerWaalsContact O-CG 3.3Å; Q440-R444 WeakPolarHBondContact O-CG 3.24Å; Q440-R444 PolarHBondContact O-N 3.37Å; Q440-R444 VanDerWaalsContact O-N 3.1Å; V441-R444 PolarHBondContact O-N 3.13Å; L442-R444 VanDerWaalsContact C-N 3.27Å; L442-R444 PolarHBondContact O-N 2.85Å; R444-L447 PolarHBondContact O-N 2.95Å; R444-W448 PolarHBondContact O-N 3.27Å
445	I	91.6	Very high	90.2	Very high	50 Å²	50	43.4 Å²	43.4	26%	0.256	22%	0.215	S	C	.	.	H	α-helix	trans	-64.3	-49.9	176.3	-67.6	165.9	0	0	0	109.8	L348 L352 V441 L442 L447 W448 A449	L348-I445 HydrophobicContact CD1-CD1 3.81Å; L348-I445 HydrophobicContact CD2-CD1 3.93Å; L348-I445 HydrophobicContact CG-CD1 4.31Å; L352-I445 HydrophobicContact CD1-CD1 4.12Å; L352-I445 HydrophobicContact CD1-CG1 3.52Å; L352-I445 HydrophobicContact CD2-CG1 4.29Å; L352-I445 HydrophobicContact CG-CG1 4.45Å; V441-I445 HydrophobicContact CG1-CD1 4.03Å; V441-I445 WeakPolarHBondContact O-CG1 3.3Å; V441-I445 PolarHBondContact O-N 2.91Å; L442-I445 PolarHBondContact O-N 2.73Å; L442-I445 VanDerWaalsContact O-N 3.14Å; I445-L447 VanDerWaalsContact C-N 3.32Å; I445-L447 PolarHBondContact O-N 3.21Å; I445-W448 PolarHBondContact O-N 3.47Å; I445-A449 WeakPolarHBondContact O-CB 3.37Å; I445-A449 PolarHBondContact O-N 2.85Å
446	F	92.8	Very high	90.6	Very high	50 Å²	50	47.3 Å²	47.3	22%	0.219	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-37.1	178.8	-67.5	-58.6	0	0	0	111.4	F260 V318 V322 L442 D443 W448 A449 F450	F260-F446 HydrophobicContact CD1-CB 4.01Å; F260-F446 HydrophobicContact CE1-CB 3.98Å; F260-F446 HydrophobicContact CG-CB 4.39Å; F260-F446 HydrophobicContact CZ-CB 4.32Å; V318-F446 HydrophobicContact CG1-CB 4.11Å; V318-F446 HydrophobicContact CG1-CD1 3.72Å; V318-F446 HydrophobicContact CG1-CD2 3.31Å; V318-F446 HydrophobicContact CG1-CE1 3.89Å; V318-F446 HydrophobicContact CG1-CE2 3.5Å; V318-F446 VanDerWaalsContact CG1-CE2 3.5Å; V318-F446 HydrophobicContact CG1-CG 3.44Å; V318-F446 VanDerWaalsContact CG1-CG 3.44Å; V318-F446 HydrophobicContact CG1-CZ 3.78Å; V318-F446 HydrophobicContact CG2-CE1 4.37Å; V322-F446 HydrophobicContact CG2-CD2 4.05Å; V322-F446 HydrophobicContact CG2-CE2 4.11Å; L442-F446 HydrophobicContact CB-CD2 4.34Å; L442-F446 HydrophobicContact CB-CE2 4.19Å; L442-F446 HydrophobicContact CD2-CE2 3.96Å; L442-F446 WeakPolarHBondContact O-CD2 3.43Å; L442-F446 PolarHBondContact O-N 2.98Å; D443-F446 PolarHBondContact O-N 3.42Å; F446-W448 PolarHBondContact O-N 3.09Å; F446-A449 PolarHBondContact O-N 2.83Å; F446-F450 HydrophobicContact CB-CD2 4.19Å; F446-F450 HydrophobicContact CB-CE2 4.27Å; F446-F450 HydrophobicContact CD1-CE2 4.19Å; F446-F450 VanDerWaalsContact O-CB 3.31Å; F446-F450 WeakPolarHBondContact O-CB 3.37Å; F446-F450 WeakPolarHBondContact O-CD2 3.49Å; F446-F450 PolarHBondContact O-N 3.41Å
447	L	92.9	Very high	90.8	Very high	20 Å²	20	45.4 Å²	45.4	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-54.7	-51.8	173.1	-174.3	157.6	0	0	0	111.8	V257 F260 Y261 D443 R444 I445 L451	V257-L447 HydrophobicContact CG1-CG 4.38Å; F260-L447 HydrophobicContact CB-CB 3.8Å; F260-L447 HydrophobicContact CB-CD1 4.46Å; F260-L447 HydrophobicContact CB-CG 4.38Å; Y261-L447 HydrophobicContact CD2-CD1 3.97Å; Y261-L447 HydrophobicContact CG-CD1 4.46Å; D443-L447 VanDerWaalsContact O-CB 3.23Å; D443-L447 WeakPolarHBondContact O-CB 3.4Å; D443-L447 PolarHBondContact O-N 2.83Å; R444-L447 PolarHBondContact O-N 2.95Å; I445-L447 VanDerWaalsContact C-N 3.32Å; I445-L447 PolarHBondContact O-N 3.21Å; L447-L451 WeakPolarHBondContact O-CB 3.39Å; L447-L451 PolarHBondContact O-N 3.03Å
448	W	91.8	Very high	90.9	Very high	145 Å²	145	45.7 Å²	45.7	55%	0.549	24%	0.235	S	C	.	.	H	α-helix	trans	-67.1	-39	179.4	-75.5	112	0	0	0	112.7	R444 I445 F446 L451 T452	R444-W448 PolarHBondContact O-N 3.27Å; I445-W448 PolarHBondContact O-N 3.47Å; F446-W448 PolarHBondContact O-N 3.09Å; W448-L451 HydrophobicContact CE3-CD2 4.05Å; W448-L451 HydrophobicContact CZ3-CD2 4Å; W448-T452 WeakPolarHBondContact O-CB 3.27Å; W448-T452 VanDerWaalsContact O-CG2 3.27Å; W448-T452 WeakPolarHBondContact O-CG2 3.4Å; W448-T452 PolarHBondContact O-N 2.97Å; W448-T452 PolarHBondContact O-OG1 2.84Å
449	A	92.1	Very high	91	Very high	43 Å²	43	50.1 Å²	50.1	36%	0.355	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-47.8	176.5	0	0	0	0	0	111.7	I445 F446 T452 V453	I445-A449 WeakPolarHBondContact O-CB 3.37Å; I445-A449 PolarHBondContact O-N 2.85Å; F446-A449 PolarHBondContact O-N 2.83Å; A449-T452 PolarHBondContact O-OG1 3.19Å; A449-V453 WeakPolarHBondContact O-CB 3.41Å; A449-V453 VanDerWaalsContact O-CG2 3.28Å; A449-V453 WeakPolarHBondContact O-CG2 3.32Å; A449-V453 PolarHBondContact O-N 3.27Å; A449-V453 VanDerWaalsContact O-N 3.11Å
450	F	92.6	Very high	91	Very high	12 Å²	12	55.4 Å²	55.4	5%	0.053	29%	0.285	C	S	.	.	H	α-helix	trans	-68.9	-41.7	178.2	-81.7	-107.5	0	0	0	111.1	V257 F260 F311 L314 V318 F446 T452 V453 S454	V257-F450 HydrophobicContact CG2-CB 4.43Å; F260-F450 HydrophobicContact CD2-CB 4.4Å; F260-F450 HydrophobicContact CD2-CG 4.33Å; F260-F450 HydrophobicContact CE2-CB 4.13Å; F260-F450 AromaticContact CE2-CD1 3.76Å; F260-F450 HydrophobicContact CE2-CD1 3.76Å; F260-F450 AromaticContact CE2-CD2 3.74Å; F260-F450 HydrophobicContact CE2-CD2 3.74Å; F260-F450 HydrophobicContact CE2-CE1 4.05Å; F260-F450 AromaticContact CE2-CE2 3.95Å; F260-F450 HydrophobicContact CE2-CE2 3.95Å; F260-F450 AromaticContact CE2-CG 3.61Å; F260-F450 HydrophobicContact CE2-CG 3.61Å; F260-F450 HydrophobicContact CE2-CZ 4.08Å; F260-F450 HydrophobicContact CZ-CD1 4.38Å; F260-F450 HydrophobicContact CZ-CD2 4.07Å; F260-F450 HydrophobicContact CZ-CE1 4.24Å; F260-F450 AromaticContact CZ-CE2 3.81Å; F260-F450 HydrophobicContact CZ-CE2 3.81Å; F260-F450 HydrophobicContact CZ-CG 4.32Å; F260-F450 AromaticContact CZ-CZ 3.88Å; F260-F450 HydrophobicContact CZ-CZ 3.88Å; F311-F450 HydrophobicContact CD1-CD1 4.23Å; F311-F450 AromaticContact CD2-CD1 3.93Å; F311-F450 HydrophobicContact CD2-CD1 3.93Å; F311-F450 HydrophobicContact CD2-CE1 4.15Å; F311-F450 HydrophobicContact CE1-CB 4.37Å; F311-F450 AromaticContact CE1-CD1 3.65Å; F311-F450 HydrophobicContact CE1-CD1 3.65Å; F311-F450 HydrophobicContact CE1-CE1 4.49Å; F311-F450 HydrophobicContact CE1-CG 4.48Å; F311-F450 HydrophobicContact CE2-CB 4.1Å; F311-F450 AromaticContact CE2-CD1 3.28Å; F311-F450 HydrophobicContact CE2-CD1 3.28Å; F311-F450 AromaticContact CE2-CE1 3.92Å; F311-F450 HydrophobicContact CE2-CE1 3.92Å; F311-F450 AromaticContact CE2-CG 3.89Å; F311-F450 HydrophobicContact CE2-CG 3.89Å; F311-F450 HydrophobicContact CG-CD1 4.37Å; F311-F450 HydrophobicContact CZ-CB 3.53Å; F311-F450 AromaticContact CZ-CD1 3.15Å; F311-F450 HydrophobicContact CZ-CD1 3.15Å; F311-F450 HydrophobicContact CZ-CE1 4.13Å; F311-F450 AromaticContact CZ-CG 3.7Å; F311-F450 HydrophobicContact CZ-CG 3.7Å; F311-F450 VanDerWaalsContact CZ-O 3.24Å; F311-F450 WeakPolarHBondContact CZ-O 3.27Å; L314-F450 HydrophobicContact CD2-CE1 4.09Å; L314-F450 HydrophobicContact CD2-CE2 4.06Å; L314-F450 HydrophobicContact CD2-CZ 3.32Å; V318-F450 HydrophobicContact CG2-CE2 4.39Å; V318-F450 HydrophobicContact CG2-CZ 4.28Å; F446-F450 HydrophobicContact CB-CD2 4.19Å; F446-F450 HydrophobicContact CB-CE2 4.27Å; F446-F450 HydrophobicContact CD1-CE2 4.19Å; F446-F450 VanDerWaalsContact O-CB 3.31Å; F446-F450 WeakPolarHBondContact O-CB 3.37Å; F446-F450 WeakPolarHBondContact O-CD2 3.49Å; F446-F450 PolarHBondContact O-N 3.41Å; F450-T452 VanDerWaalsContact C-N 3.35Å; F450-T452 PolarHBondContact O-N 3.03Å; F450-V453 PolarHBondContact O-N 3.39Å; F450-S454 WeakPolarHBondContact O-CB 3.21Å; F450-S454 PolarHBondContact O-N 3.5Å
451	L	92.6	Very high	91.1	Very high	46 Å²	46	52.2 Å²	52.2	24%	0.241	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-46.6	176.8	-178	63.7	0	0	0	112	V257 L447 W448 S454 I455	V257-L451 HydrophobicContact CG1-CB 3.94Å; V257-L451 HydrophobicContact CG1-CD1 4.17Å; L447-L451 WeakPolarHBondContact O-CB 3.39Å; L447-L451 PolarHBondContact O-N 3.03Å; W448-L451 HydrophobicContact CE3-CD2 4.05Å; W448-L451 HydrophobicContact CZ3-CD2 4Å; L451-S454 PolarHBondContact O-N 3.5Å; L451-I455 HydrophobicContact CD1-CD1 3.83Å; L451-I455 HydrophobicContact CD1-CG1 4.31Å; L451-I455 HydrophobicContact CG-CD1 3.91Å; L451-I455 VanDerWaalsContact O-CG1 3.3Å; L451-I455 WeakPolarHBondContact O-CG1 3.46Å; L451-I455 PolarHBondContact O-N 3.38Å
452	T	92	Very high	90.9	Very high	81 Å²	81	54.1 Å²	54.1	50%	0.497	28%	0.278	S	S	.	.	H	α-helix	trans	-65.6	-44.9	179.8	50.3	0	0	0	0	112	W448 A449 F450 L456	W448-T452 WeakPolarHBondContact O-CB 3.27Å; W448-T452 VanDerWaalsContact O-CG2 3.27Å; W448-T452 WeakPolarHBondContact O-CG2 3.4Å; W448-T452 PolarHBondContact O-N 2.97Å; W448-T452 PolarHBondContact O-OG1 2.84Å; A449-T452 PolarHBondContact O-OG1 3.19Å; F450-T452 VanDerWaalsContact C-N 3.35Å; F450-T452 PolarHBondContact O-N 3.03Å; T452-L456 VanDerWaalsContact O-CB 3.23Å; T452-L456 WeakPolarHBondContact O-CB 3.49Å; T452-L456 PolarHBondContact O-N 3.37Å
453	V	92.7	Very high	90.8	Very high	67 Å²	67	56 Å²	56	41%	0.406	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-40.4	176.6	171.3	0	0	0	0	111.6	F307 F311 A449 F450 G457	F307-V453 HydrophobicContact CE2-CG1 4.26Å; F307-V453 HydrophobicContact CZ-CG1 3.92Å; F311-V453 HydrophobicContact CD2-CG1 4.12Å; F311-V453 HydrophobicContact CE2-CB 4.01Å; F311-V453 HydrophobicContact CE2-CG1 3.72Å; A449-V453 WeakPolarHBondContact O-CB 3.41Å; A449-V453 VanDerWaalsContact O-CG2 3.28Å; A449-V453 WeakPolarHBondContact O-CG2 3.32Å; A449-V453 PolarHBondContact O-N 3.27Å; A449-V453 VanDerWaalsContact O-N 3.11Å; F450-V453 PolarHBondContact O-N 3.39Å; V453-G457 PolarHBondContact O-N 3.34Å
454	S	90.9	Very high	90.5	Very high	11 Å²	11	58.2 Å²	58.2	8%	0.077	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-48.1	178.3	179	0	0	0	0	112.1	F450 L451 T458	F450-S454 WeakPolarHBondContact O-CB 3.21Å; F450-S454 PolarHBondContact O-N 3.5Å; L451-S454 PolarHBondContact O-N 3.5Å; S454-T458 WeakPolarHBondContact O-CB 3.35Å; S454-T458 PolarHBondContact O-N 2.92Å; S454-T458 PolarHBondContact O-OG1 2.85Å
455	I	91.7	Very high	90.1	Very high	90 Å²	90	54.1 Å²	54.1	46%	0.462	29%	0.29	S	S	.	.	H	α-helix	trans	-62.7	-48.1	176.8	-67.3	169	0	0	0	110.7	L451 T458 I459	L451-I455 HydrophobicContact CD1-CD1 3.83Å; L451-I455 HydrophobicContact CD1-CG1 4.31Å; L451-I455 HydrophobicContact CG-CD1 3.91Å; L451-I455 VanDerWaalsContact O-CG1 3.3Å; L451-I455 WeakPolarHBondContact O-CG1 3.46Å; L451-I455 PolarHBondContact O-N 3.38Å; I455-T458 PolarHBondContact O-N 2.84Å; I455-I459 HydrophobicContact CG2-CD1 3.76Å; I455-I459 VanDerWaalsContact O-CG1 3.32Å; I455-I459 WeakPolarHBondContact O-CG1 3.25Å; I455-I459 PolarHBondContact O-N 3.3Å
456	L	91.9	Very high	89.6	Confident	102 Å²	102	56.3 Å²	56.3	53%	0.534	30%	0.302	S	S	.	.	H	α-helix	trans	-64.2	-44.9	-178.8	-175.5	67.2	0	0	0	111.5	T452 T458 I459 L460	T452-L456 VanDerWaalsContact O-CB 3.23Å; T452-L456 WeakPolarHBondContact O-CB 3.49Å; T452-L456 PolarHBondContact O-N 3.37Å; L456-T458 VanDerWaalsContact C-N 3.35Å; L456-T458 PolarHBondContact O-N 2.85Å; L456-I459 PolarHBondContact O-N 2.83Å; L456-L460 HydrophobicContact CD1-CD1 4.11Å; L456-L460 HydrophobicContact CD1-CG 4.2Å; L456-L460 HydrophobicContact CD2-CD1 4.34Å; L456-L460 HydrophobicContact CG-CD1 3.78Å; L456-L460 HydrophobicContact CG-CG 4.27Å; L456-L460 WeakPolarHBondContact O-CB 3.47Å; L456-L460 VanDerWaalsContact O-CG 3.27Å; L456-L460 WeakPolarHBondContact O-CG 3.41Å; L456-L460 PolarHBondContact O-N 3.25Å
457	G	90.2	Very high	89.1	Confident	9 Å²	9	59.2 Å²	59.2	9%	0.093	32%	0.317	C	S	.	.	H	α-helix	trans	-59.7	-44.9	176.9	0	0	0	0	0	111.8	V453 I459 L460 I461	V453-G457 PolarHBondContact O-N 3.34Å; G457-I459 PolarHBondContact O-N 2.97Å; G457-L460 PolarHBondContact O-N 3.36Å; G457-I461 WeakPolarHBondContact O-CB 3.46Å; G457-I461 VanDerWaalsContact O-CG1 3.24Å; G457-I461 WeakPolarHBondContact O-CG1 3.46Å; G457-I461 PolarHBondContact O-N 3.42Å
458	T	89.1	Confident	88.6	Confident	28 Å²	28	60.3 Å²	60.3	17%	0.172	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-47.2	176.9	-54.3	0	0	0	0	111.3	L250 S454 I455 L456 F462	L250-T458 HydrophobicContact CD2-CG2 3.62Å; S454-T458 WeakPolarHBondContact O-CB 3.35Å; S454-T458 PolarHBondContact O-N 2.92Å; S454-T458 PolarHBondContact O-OG1 2.85Å; I455-T458 PolarHBondContact O-N 2.84Å; L456-T458 VanDerWaalsContact C-N 3.35Å; L456-T458 PolarHBondContact O-N 2.85Å; T458-F462 HydrophobicContact CG2-CD2 3.87Å; T458-F462 HydrophobicContact CG2-CE2 4.25Å; T458-F462 WeakPolarHBondContact O-CB 3.26Å; T458-F462 WeakPolarHBondContact O-CD2 3.49Å; T458-F462 PolarHBondContact O-N 3.48Å
459	I	89.3	Confident	88	Confident	96 Å²	96	55.9 Å²	55.9	49%	0.492	31%	0.306	S	S	.	.	H	α-helix	trans	-63.5	-49.6	179.2	-67.6	168.3	0	0	0	110.6	I455 L456 G457 I461 T463	I455-I459 HydrophobicContact CG2-CD1 3.76Å; I455-I459 VanDerWaalsContact O-CG1 3.32Å; I455-I459 WeakPolarHBondContact O-CG1 3.25Å; I455-I459 PolarHBondContact O-N 3.3Å; L456-I459 PolarHBondContact O-N 2.83Å; G457-I459 PolarHBondContact O-N 2.97Å; I459-I461 VanDerWaalsContact C-N 3.34Å; I459-I461 PolarHBondContact O-N 3.49Å; I459-T463 VanDerWaalsContact O-CB 3.25Å; I459-T463 WeakPolarHBondContact O-CB 3.28Å; I459-T463 PolarHBondContact O-N 2.96Å; I459-T463 PolarHBondContact O-OG1 2.87Å
460	L	89.4	Confident	87.4	Confident	113 Å²	113	59.6 Å²	59.6	59%	0.592	32%	0.319	S	S	*	.	H	α-helix	trans	-61.5	-42	-176.8	-73.3	174	0	0	0	112.3	L456 G457 P464	L456-L460 HydrophobicContact CD1-CD1 4.11Å; L456-L460 HydrophobicContact CD1-CG 4.2Å; L456-L460 HydrophobicContact CD2-CD1 4.34Å; L456-L460 HydrophobicContact CG-CD1 3.78Å; L456-L460 HydrophobicContact CG-CG 4.27Å; L456-L460 WeakPolarHBondContact O-CB 3.47Å; L456-L460 VanDerWaalsContact O-CG 3.27Å; L456-L460 WeakPolarHBondContact O-CG 3.41Å; L456-L460 PolarHBondContact O-N 3.25Å; G457-L460 PolarHBondContact O-N 3.36Å; L460-P464 VanDerWaalsContact O-CD 3.25Å; L460-P464 WeakPolarHBondContact O-CD 3.3Å
461	I	88.6	Confident	86.7	Confident	20 Å²	20	66 Å²	66	10%	0.103	35%	0.348	C	S	.	.	H	α-helix	trans	-73.3	-46.5	-177.7	-66.1	168.9	0	0	0	110.6	L300 Y304 F307 G457 I459 P464	L300-I461 HydrophobicContact CD1-CG2 3.67Å; L300-I461 WeakPolarHBondContact CD1-O 3.5Å; L300-I461 HydrophobicContact CD2-CG2 4.47Å; L300-I461 VanDerWaalsContact CD2-O 3.28Å; L300-I461 WeakPolarHBondContact CD2-O 3.37Å; L300-I461 HydrophobicContact CG-CG2 3.76Å; Y304-I461 HydrophobicContact CD2-CD1 3.94Å; Y304-I461 HydrophobicContact CD2-CG2 4.38Å; F307-I461 HydrophobicContact CB-CD1 4.15Å; F307-I461 HydrophobicContact CD1-CD1 4.31Å; F307-I461 HydrophobicContact CG-CD1 4.17Å; G457-I461 WeakPolarHBondContact O-CB 3.46Å; G457-I461 VanDerWaalsContact O-CG1 3.24Å; G457-I461 WeakPolarHBondContact O-CG1 3.46Å; G457-I461 PolarHBondContact O-N 3.42Å; I459-I461 VanDerWaalsContact C-N 3.34Å; I459-I461 PolarHBondContact O-N 3.49Å; I461-P464 WeakPolarHBondContact O-CD 3.47Å
462	F	86.4	Confident	85.1	Confident	39 Å²	39	71 Å²	71	17%	0.171	37%	0.373	C	S	.	.	H	α-helix	trans	-81.6	-18	-175.2	-75.1	-77.2	0	0	0	115.1	I246 Y304 T458 A465 L466	I246-F462 HydrophobicContact CD1-CE1 4.37Å; I246-F462 HydrophobicContact CG2-CE1 4.35Å; I246-F462 HydrophobicContact CG2-CZ 4.23Å; Y304-F462 AromaticContact CD1-CE2 3.86Å; Y304-F462 HydrophobicContact CD1-CE2 3.86Å; Y304-F462 AromaticContact CD1-CZ 3.88Å; Y304-F462 HydrophobicContact CD1-CZ 3.88Å; Y304-F462 AromaticContact CD2-CE2 3.85Å; Y304-F462 HydrophobicContact CD2-CE2 3.85Å; Y304-F462 AromaticContact CE1-CE2 3.92Å; Y304-F462 HydrophobicContact CE1-CE2 3.92Å; Y304-F462 HydrophobicContact CE1-CZ 4.21Å; Y304-F462 AromaticContact CE2-CE2 3.95Å; Y304-F462 HydrophobicContact CE2-CE2 3.95Å; Y304-F462 AromaticContact CG-CE2 3.83Å; Y304-F462 HydrophobicContact CG-CE2 3.83Å; Y304-F462 HydrophobicContact CG-CZ 4.07Å; T458-F462 HydrophobicContact CG2-CD2 3.87Å; T458-F462 HydrophobicContact CG2-CE2 4.25Å; T458-F462 WeakPolarHBondContact O-CB 3.26Å; T458-F462 WeakPolarHBondContact O-CD2 3.49Å; T458-F462 PolarHBondContact O-N 3.48Å; F462-A465 PolarHBondContact O-N 3.5Å; F462-L466 PolarHBondContact O-N 3.44Å; F462-L466 VanDerWaalsContact O-N 3.07Å
463	T	86.9	Confident	83.5	Confident	56 Å²	56	70 Å²	70	34%	0.344	37%	0.367	S	S	.	.	H	α-helix	trans	-59.4	-47.1	-177.8	-64.2	0	0	0	0	113.5	I459 A465 L466 Q467	I459-T463 VanDerWaalsContact O-CB 3.25Å; I459-T463 WeakPolarHBondContact O-CB 3.28Å; I459-T463 PolarHBondContact O-N 2.96Å; I459-T463 PolarHBondContact O-OG1 2.87Å; T463-A465 PolarHBondContact O-N 2.92Å; T463-L466 PolarHBondContact O-N 2.88Å; T463-Q467 HydrophobicContact CG2-CG 4.28Å; T463-Q467 WeakPolarHBondContact O-CG 3.45Å; T463-Q467 PolarHBondContact O-N 2.89Å
464	P	84.5	Confident	81.2	Confident	57 Å²	57	72.1 Å²	72.1	37%	0.37	38%	0.383	S	S	.	.	H	α-helix	trans	-58.2	-42.7	177.2	-26.2	35.2	0	0	0	113.8	F164 L460 I461 Q467 M468	F164-P464 HydrophobicContact CE1-CB 4.12Å; L460-P464 VanDerWaalsContact O-CD 3.25Å; L460-P464 WeakPolarHBondContact O-CD 3.3Å; I461-P464 WeakPolarHBondContact O-CD 3.47Å; P464-Q467 PolarHBondContact O-N 3.12Å; P464-M468 PolarHBondContact O-N 3.37Å
465	A	81.9	Confident	79	Confident	1 Å²	1	77.4 Å²	77.4	1%	0.008	42%	0.417	C	S	.	.	H	α-helix	trans	-64.3	-44.2	177.2	0	0	0	0	0	112	F164 F167 L300 F462 T463 Q467 M468 F469	F164-A465 HydrophobicContact CD1-CB 4.04Å; F167-A465 HydrophobicContact CD2-CB 4.15Å; L300-A465 HydrophobicContact CD2-CB 3.4Å; F462-A465 PolarHBondContact O-N 3.5Å; T463-A465 PolarHBondContact O-N 2.92Å; A465-Q467 VanDerWaalsContact C-N 3.33Å; A465-Q467 PolarHBondContact O-N 2.95Å; A465-M468 PolarHBondContact O-N 2.86Å; A465-F469 WeakPolarHBondContact O-CB 3.19Å; A465-F469 PolarHBondContact O-N 3.36Å
466	L	80.9	Confident	76.8	Confident	97 Å²	97	78.2 Å²	78.2	51%	0.508	43%	0.426	S	S	.	.	H	α-helix	trans	-63.8	-41.3	178.8	-161	79.9	0	0	0	111.4	F462 T463 M468 F469 L470	F462-L466 PolarHBondContact O-N 3.44Å; F462-L466 VanDerWaalsContact O-N 3.07Å; T463-L466 PolarHBondContact O-N 2.88Å; L466-M468 VanDerWaalsContact C-N 3.33Å; L466-M468 PolarHBondContact O-N 3.26Å; L466-F469 PolarHBondContact O-N 3.32Å; L466-L470 HydrophobicContact CD2-CD1 4.43Å; L466-L470 HydrophobicContact CG-CD1 4.18Å; L466-L470 WeakPolarHBondContact O-CB 3.3Å; L466-L470 VanDerWaalsContact O-CG 3.26Å; L466-L470 WeakPolarHBondContact O-CG 3.36Å; L466-L470 PolarHBondContact O-N 3.36Å
467	Q	83.4	Confident	74.6	Confident	111 Å²	111	78.2 Å²	78.2	52%	0.519	44%	0.441	S	S	.	.	H	α-helix	trans	-62.1	-40.7	175	-73.9	-179	-2.4	0	0	112.1	T463 P464 A465 K471	T463-Q467 HydrophobicContact CG2-CG 4.28Å; T463-Q467 WeakPolarHBondContact O-CG 3.45Å; T463-Q467 PolarHBondContact O-N 2.89Å; P464-Q467 PolarHBondContact O-N 3.12Å; A465-Q467 VanDerWaalsContact C-N 3.33Å; A465-Q467 PolarHBondContact O-N 2.95Å; Q467-K471 WeakPolarHBondContact O-CG 3.28Å; Q467-K471 PolarHBondContact O-N 3Å; Q467-K471 VanDerWaalsContact O-N 3.13Å
468	M	81.1	Confident	72.4	Confident	43 Å²	43	83.7 Å²	83.7	21%	0.212	47%	0.472	C	S	.	.	H	α-helix	trans	-67.4	-42.2	177.6	-169.1	-90.5	-84.1	0	0	111.8	F164 F167 P464 A465 L466 L470 K471	F164-M468 HydrophobicContact CB-CE 3.17Å; F164-M468 HydrophobicContact CD1-CE 4.21Å; F164-M468 HydrophobicContact CD2-CE 3.2Å; F164-M468 HydrophobicContact CE2-CE 4.06Å; F164-M468 HydrophobicContact CG-CE 3.27Å; F167-M468 WeakPolarHBondContact O-CE 3.25Å; P464-M468 PolarHBondContact O-N 3.37Å; A465-M468 PolarHBondContact O-N 2.86Å; L466-M468 VanDerWaalsContact C-N 3.33Å; L466-M468 PolarHBondContact O-N 3.26Å; M468-L470 VanDerWaalsContact C-N 3.34Å; M468-L470 PolarHBondContact O-N 2.98Å; M468-K471 PolarHBondContact O-N 2.87Å
469	F	78.7	Confident	70.1	Confident	52 Å²	52	91.5 Å²	91.5	23%	0.228	51%	0.507	C	S	.	.	H	α-helix	trans	-60.2	-43.2	176.7	-171	-107.6	0	0	0	112.7	F167 P238 A465 L466	F167-F469 HydrophobicContact CB-CB 4.07Å; F167-F469 HydrophobicContact CB-CD2 3.91Å; F167-F469 HydrophobicContact CB-CG 4.28Å; F167-F469 HydrophobicContact CD1-CB 4.28Å; F167-F469 HydrophobicContact CD1-CD1 4.39Å; F167-F469 AromaticContact CD1-CD2 3.64Å; F167-F469 HydrophobicContact CD1-CD2 3.64Å; F167-F469 HydrophobicContact CD1-CE2 4Å; F167-F469 AromaticContact CD1-CG 3.85Å; F167-F469 HydrophobicContact CD1-CG 3.85Å; F167-F469 HydrophobicContact CG-CB 4.41Å; F167-F469 HydrophobicContact CG-CD2 4.23Å; F167-F469 HydrophobicContact CG-CG 4.41Å; P238-F469 HydrophobicContact CG-CE2 4.01Å; P238-F469 HydrophobicContact CG-CZ 3.99Å; A465-F469 WeakPolarHBondContact O-CB 3.19Å; A465-F469 PolarHBondContact O-N 3.36Å; L466-F469 PolarHBondContact O-N 3.32Å
470	L	80.3	Confident	67.5	Low	120 Å²	120	96 Å²	96	63%	0.628	53%	0.526	S	S	*	.	H	α-helix	trans	-75.3	-21.5	-178.8	-68.5	173.2	0	0	0	113.5	L466 M468 I472	L466-L470 HydrophobicContact CD2-CD1 4.43Å; L466-L470 HydrophobicContact CG-CD1 4.18Å; L466-L470 WeakPolarHBondContact O-CB 3.3Å; L466-L470 VanDerWaalsContact O-CG 3.26Å; L466-L470 WeakPolarHBondContact O-CG 3.36Å; L466-L470 PolarHBondContact O-N 3.36Å; M468-L470 VanDerWaalsContact C-N 3.34Å; M468-L470 PolarHBondContact O-N 2.98Å; L470-I472 PolarHBondContact O-N 3.03Å
471	K	77.9	Confident	65.2	Low	148 Å²	148	95.8 Å²	95.8	64%	0.643	53%	0.532	S	S	*	.			trans	-70.8	93.3	174.7	-82.4	177.2	-177.9	-179.7	0	110.3	R169 Q467 M468	R169-K471 PolarHBondContact NH1-O 2.93Å; R169-K471 VanDerWaalsContact NH1-O 3.13Å; R169-K471 PolarHBondContact NH2-O 3.04Å; Q467-K471 WeakPolarHBondContact O-CG 3.28Å; Q467-K471 PolarHBondContact O-N 3Å; Q467-K471 VanDerWaalsContact O-N 3.13Å; M468-K471 PolarHBondContact O-N 2.87Å
472	I	58.7	Low	63.1	Low	150 Å²	150	100.1 Å²	100.1	77%	0.769	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-58.1	124.7	165.6	-56.9	165.9	0	0	0	106.8	L470	L470-I472 PolarHBondContact O-N 3.03Å
473	P	58.4	Low	61.1	Low	59 Å²	59	105.9 Å²	105.9	38%	0.383	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-65.1	139.9	174.6	26.5	-22	0	0	0	107.8
474	P	45.7	Very low	59.1	Low	112 Å²	112	111.9 Å²	111.9	73%	0.727	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-57.7	143.2	173.3	24.9	-31.9	0	0	0	109	T476	P474-T476 PolarHBondContact O-N 3.24Å
475	P	44.8	Very low	57	Low	123 Å²	123	121.1 Å²	121.1	80%	0.799	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-54.2	131.4	170.2	22.9	-30.9	0	0	0	108.3	A477	P475-A477 PolarHBondContact O-N 2.95Å
476	T	44.5	Very low	55.7	Low	107 Å²	107	127.1 Å²	127.1	66%	0.656	69%	0.687	S	S	*	*			trans	-55.5	114.6	173.9	39.7	0	0	0	0	108.3	P474 T478	P474-T476 PolarHBondContact O-N 3.24Å; T476-T478 PolarHBondContact O-N 3.46Å
477	A	45.2	Very low	54.4	Low	101 Å²	101	128.7 Å²	128.7	84%	0.835	70%	0.696	S	S	*	*	S	Bend	trans	-64.1	97.5	180	0	0	0	0	0	110.7	P475	P475-A477 PolarHBondContact O-N 2.95Å
478	T	44.8	Very low	52.8	Low	124 Å²	124	129.7 Å²	129.7	76%	0.761	71%	0.706	S	S	*	*			trans	-149.8	60.8	151.3	53	0	0	0	0	108.9	T476	T476-T478 PolarHBondContact O-N 3.46Å
479	E	40.4	Very low	51.1	Low	193 Å²	193	134.8 Å²	134.8	90%	0.902	74%	0.735	S	S	*	*			trans	-106.1	87.4	152.3	-86.5	-173.1	153.7	0	0	106.3	P481	E479-P481 WeakPolarHBondContact O-CD 3.45Å
480	E	35.6	Very low	49.4	Very low	189 Å²	189	139.9 Å²	139.9	88%	0.883	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-76.3	118.6	152.9	-93.5	-176.4	159.7	0	0	106.5
481	P	40	Very low	47.3	Very low	110 Å²	110	141.3 Å²	141.3	71%	0.714	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-65.6	146.6	171.4	27.2	-31.3	0	0	0	109.1	E479 L483	E479-P481 WeakPolarHBondContact O-CD 3.45Å; P481-L483 PolarHBondContact O-N 3.47Å
482	P	45.1	Very low	45.2	Very low	110 Å²	110	140.8 Å²	140.8	71%	0.714	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-61.8	117.8	176.3	24.9	-30.8	0	0	0	108.9	H484	P482-H484 PolarHBondContact O-N 3.3Å
483	L	43.5	Very low	44.1	Very low	160 Å²	160	140.1 Å²	140.1	84%	0.838	79%	0.787	S	S	*	*			trans	-63.5	101.7	166.9	-163.5	84.5	0	0	0	107	P481 Q485	P481-L483 PolarHBondContact O-N 3.47Å; L483-Q485 PolarHBondContact O-N 3.4Å
484	H	45.4	Very low	42.9	Very low	182 Å²	182	146.8 Å²	146.8	84%	0.843	82%	0.82	S	S	*	*			trans	-63.3	110.8	161.9	-85.3	-70.2	0	0	0	108.2	P482	P482-H484 PolarHBondContact O-N 3.3Å
485	Q	40.1	Very low	42.7	Very low	251 Å²	251	150 Å²	150	100%	1.173	83%	0.829	S	S	*	*			trans	-146.1	0	148.9	-149.9	163.8	22.8	0	0	110.8	L483	L483-Q485 PolarHBondContact O-N 3.4Å

Retrieved 485 of 485 residues in 228.4 ms (Link to these results)

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