A0A087XFD8_POEFO Loading...

Cleavage and polyadenylation specific factor 7

AlphaFold DB , UniProt , Accession A0A087XFD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 453 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.4	Very low	42.5	Very low	247 Å²	247	134.9 Å²	134.9	100%	1.217	89%	0.887	S	S	*	*				0	126.3	0	-72	171.5	169.9	0	0	107.7
2	S	41.3	Very low	42.4	Very low	130 Å²	130	136.8 Å²	136.8	91%	0.909	88%	0.883	S	S	*	*			trans	-140.9	128.4	169.4	-59.8	0	0	0	0	107.5
3	A	40.7	Very low	42.4	Very low	106 Å²	106	133.2 Å²	133.2	88%	0.876	86%	0.864	S	S	*	*			trans	-87	162	-174.2	0	0	0	0	0	112.5
4	A	42.4	Very low	42.6	Very low	104 Å²	104	136.6 Å²	136.6	86%	0.86	86%	0.858	S	S	*	*			trans	-71.6	160.8	-171.9	0	0	0	0	0	114.2
5	R	46.1	Very low	42.6	Very low	247 Å²	247	136.8 Å²	136.8	93%	0.932	85%	0.851	S	S	*	*			trans	-137.4	145.8	161.6	-143.5	174.5	-179.5	-163	-2.8	109.2
6	S	43.1	Very low	43.1	Very low	123 Å²	123	137.2 Å²	137.2	86%	0.86	85%	0.845	S	S	*	*			trans	-76.3	164.8	-158.7	-50.5	0	0	0	0	115.6
7	A	41.5	Very low	43.1	Very low	106 Å²	106	138.5 Å²	138.5	88%	0.876	84%	0.839	S	S	*	*			trans	-63.6	154.9	-176.7	0	0	0	0	0	114.6
8	A	41.2	Very low	43.7	Very low	103 Å²	103	137.7 Å²	137.7	85%	0.851	83%	0.834	S	S	*	*			trans	-105.5	135.2	165.6	0	0	0	0	0	110
9	G	42.3	Very low	44.3	Very low	65 Å²	65	135.3 Å²	135.3	67%	0.67	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-84.4	162.8	168.4	0	0	0	0	0	111.9
10	P	44.4	Very low	44.8	Very low	133 Å²	133	136.5 Å²	136.5	86%	0.864	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-70.4	143.2	-179	29.2	-34.8	0	0	0	112.5
11	S	40.2	Very low	45	Very low	120 Å²	120	138 Å²	138	84%	0.839	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-65	133.7	176.9	-61.3	0	0	0	0	112.3	S13	S11-S13 PolarHBondContact O-N 3.04Å
12	N	40.9	Very low	45.5	Very low	157 Å²	157	130 Å²	130	84%	0.84	78%	0.777	S	S	*	*			trans	-83.1	93.8	174.1	-166.8	9.8	0	0	0	110.2	K14	N12-K14 PolarHBondContact O-N 3.46Å
13	S	42.5	Very low	46.3	Very low	91 Å²	91	131.5 Å²	131.5	64%	0.636	78%	0.776	S	S	*	*			trans	-73.9	112.3	177.3	-171.8	0	0	0	0	110.6	S11 N15	S11-S13 PolarHBondContact O-N 3.04Å; S13-N15 PolarHBondContact O-N 3.17Å
14	K	46	Very low	46.9	Very low	180 Å²	180	132.2 Å²	132.2	78%	0.783	76%	0.764	S	S	*	*			trans	-73.7	112.2	165	-74.2	-177	173.7	-175.6	0	108.6	N12 D16	N12-K14 PolarHBondContact O-N 3.46Å; K14-D16 PolarHBondContact O-N 3.04Å
15	N	41.8	Very low	47.6	Very low	140 Å²	140	136.6 Å²	136.6	75%	0.749	76%	0.76	S	S	*	*			trans	-82	106.5	164.7	-74.2	7.1	0	0	0	108.3	S13 H17	S13-N15 PolarHBondContact O-N 3.17Å; N15-H17 VanDerWaalsContact C-N 3.34Å; N15-H17 PolarHBondContact O-N 2.82Å
16	D	50.3	Low	48.3	Very low	143 Å²	143	128.6 Å²	128.6	77%	0.765	74%	0.74	S	S	*	*			trans	-72.2	93.4	165.3	-65.6	-43.2	0	0	0	108.1	K14 V18	K14-D16 PolarHBondContact O-N 3.04Å; D16-V18 VanDerWaalsContact C-N 3.35Å; D16-V18 PolarHBondContact O-N 3.32Å
17	H	44.2	Very low	49.3	Very low	159 Å²	159	125 Å²	125	74%	0.736	72%	0.715	S	S	*	*			trans	-74.8	86.4	179.9	-175.1	-72.8	0	0	0	110.1	N15 D19	N15-H17 VanDerWaalsContact C-N 3.34Å; N15-H17 PolarHBondContact O-N 2.82Å; H17-D19 PolarHBondContact O-N 3.34Å
18	V	53.8	Low	50.2	Low	124 Å²	124	126.3 Å²	126.3	75%	0.752	71%	0.707	S	S	*	*			trans	-64.6	102.3	170.6	-177.5	0	0	0	0	108.4	D16 L20	D16-V18 VanDerWaalsContact C-N 3.35Å; D16-V18 PolarHBondContact O-N 3.32Å; V18-L20 PolarHBondContact O-N 3.43Å
19	D	53.8	Low	51.6	Low	92 Å²	92	128 Å²	128	49%	0.492	70%	0.697	S	S	.	*			trans	-77.7	94.2	-177.4	-165.4	-15.5	0	0	0	110.9	H17 Y21 S22	H17-D19 PolarHBondContact O-N 3.34Å; D19-Y21 PolarHBondContact O-N 3.34Å; D19-Y21 PolarHBondContact OD1-N 3.32Å; D19-S22 PolarHBondContact O-N 3.21Å
20	L	54.7	Low	52.9	Low	160 Å²	160	128 Å²	128	84%	0.838	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	1.5	-177.1	-159.4	65.8	0	0	0	113.6	V18	V18-L20 PolarHBondContact O-N 3.43Å
21	Y	50.1	Low	54.2	Low	169 Å²	169	125.8 Å²	125.8	66%	0.663	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-6.1	-179.7	-111.8	-100.1	0	0	0	115	D19 D23 L24	D19-Y21 PolarHBondContact O-N 3.34Å; D19-Y21 PolarHBondContact OD1-N 3.32Å; Y21-D23 VanDerWaalsContact C-N 3.34Å; Y21-D23 PolarHBondContact O-N 3.24Å; Y21-L24 HydrophobicContact CD1-CD1 3.95Å; Y21-L24 HydrophobicContact CE1-CD1 3.69Å; Y21-L24 PolarHBondContact O-N 3.32Å
22	S	54.2	Low	55.9	Low	77 Å²	77	124.4 Å²	124.4	54%	0.538	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-63.7	-33.1	-177	-59.4	0	0	0	0	114.2	D19 L24 Y25	D19-S22 PolarHBondContact O-N 3.21Å; S22-L24 PolarHBondContact O-N 3.05Å; S22-L24 VanDerWaalsContact O-N 3.15Å; S22-Y25 PolarHBondContact O-N 2.84Å
23	D	57.6	Low	57.6	Low	163 Å²	163	121.9 Å²	121.9	87%	0.872	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-70.4	-7.1	-177.6	-73.1	-15	0	0	0	114.6	Y21	Y21-D23 VanDerWaalsContact C-N 3.34Å; Y21-D23 PolarHBondContact O-N 3.24Å
24	L	54.3	Low	59.3	Low	120 Å²	120	122.6 Å²	122.6	63%	0.628	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-91.8	-6.7	180	-67.5	178	0	0	0	114.2	Y21 S22	Y21-L24 HydrophobicContact CD1-CD1 3.95Å; Y21-L24 HydrophobicContact CE1-CD1 3.69Å; Y21-L24 PolarHBondContact O-N 3.32Å; S22-L24 PolarHBondContact O-N 3.05Å; S22-L24 VanDerWaalsContact O-N 3.15Å
25	Y	56.4	Low	60.9	Low	197 Å²	197	116 Å²	116	77%	0.773	60%	0.599	S	S	*	*	S	Bend	trans	-119	110.8	168.6	-79.5	-92.9	0	0	0	108.6	S22 S27	S22-Y25 PolarHBondContact O-N 2.84Å; Y25-S27 PolarHBondContact O-N 3.38Å
26	P	60.2	Low	62.7	Low	79 Å²	79	115.5 Å²	115.5	51%	0.513	59%	0.592	S	S	.	*			trans	-53.8	129.1	170.4	-23.9	34	0	0	0	109.5	D30 L31	P26-D30 HydrophobicContact CB-CB 4.49Å; P26-L31 HydrophobicContact CB-CD2 3.88Å; P26-L31 HydrophobicContact CB-CG 4.09Å; P26-L31 HydrophobicContact CG-CD2 4.48Å
27	S	64.4	Low	64	Low	48 Å²	48	111.5 Å²	111.5	34%	0.336	58%	0.579	S	S	.	*			trans	-66	158.4	177.7	75.1	0	0	0	0	110.4	Y25 E29 D30 L31	Y25-S27 PolarHBondContact O-N 3.38Å; S27-E29 PolarHBondContact O-N 2.86Å; S27-E29 VanDerWaalsContact O-N 3.15Å; S27-E29 PolarHBondContact OG-N 3.45Å; S27-D30 WeakPolarHBondContact CB-OD2 3.45Å; S27-D30 PolarHBondContact N-OD2 3.41Å; S27-D30 WeakPolarHBondContact O-CA 3.1Å; S27-D30 PolarHBondContact O-N 2.89Å; S27-D30 VanDerWaalsContact OG-CG 3.25Å; S27-D30 PolarHBondContact OG-N 3.22Å; S27-D30 PolarHBondContact OG-OD2 3.06Å; S27-L31 PolarHBondContact O-N 3.46Å
28	D	61.3	Low	65.5	Low	133 Å²	133	108.4 Å²	108.4	71%	0.711	57%	0.568	S	S	*	*	H	α-helix	trans	-54	-35.3	173.6	-66.2	-46.2	0	0	0	111.2	D30 L31 D32	D28-D30 VanDerWaalsContact C-N 3.33Å; D28-D30 PolarHBondContact O-N 3.15Å; D28-L31 PolarHBondContact O-N 3.21Å; D28-D32 WeakPolarHBondContact O-CB 3.44Å; D28-D32 PolarHBondContact O-N 3.44Å
29	E	69.3	Low	66.8	Low	139 Å²	139	108.9 Å²	108.9	65%	0.65	56%	0.562	S	S	*	*	H	α-helix	trans	-65.2	-33.6	175.3	-54.7	-172.5	173.7	0	0	112.8	S27 K33	S27-E29 PolarHBondContact O-N 2.86Å; S27-E29 VanDerWaalsContact O-N 3.15Å; S27-E29 PolarHBondContact OG-N 3.45Å; E29-K33 WeakPolarHBondContact O-CD 3.44Å; E29-K33 WeakPolarHBondContact O-CE 3.49Å; E29-K33 WeakPolarHBondContact O-CG 3.44Å; E29-K33 PolarHBondContact O-N 2.96Å
30	D	70.9	Confident	68.2	Low	65 Å²	65	109.6 Å²	109.6	35%	0.348	57%	0.565	S	S	.	*	H	α-helix	trans	-80	-34.6	178.1	-59.9	-50.9	0	0	0	112.2	P26 S27 D28 K33 I34	P26-D30 HydrophobicContact CB-CB 4.49Å; S27-D30 WeakPolarHBondContact CB-OD2 3.45Å; S27-D30 PolarHBondContact N-OD2 3.41Å; S27-D30 WeakPolarHBondContact O-CA 3.1Å; S27-D30 PolarHBondContact O-N 2.89Å; S27-D30 VanDerWaalsContact OG-CG 3.25Å; S27-D30 PolarHBondContact OG-N 3.22Å; S27-D30 PolarHBondContact OG-OD2 3.06Å; D28-D30 VanDerWaalsContact C-N 3.33Å; D28-D30 PolarHBondContact O-N 3.15Å; D30-K33 PolarHBondContact O-N 3.02Å; D30-K33 IonicContact OD1-NZ 3.38Å; D30-K33 PolarHBondContact OD1-NZ 3.03Å; D30-I34 WeakPolarHBondContact O-CD1 3.15Å; D30-I34 VanDerWaalsContact O-CG1 3.23Å; D30-I34 WeakPolarHBondContact O-CG1 3.32Å; D30-I34 PolarHBondContact O-N 3.12Å
31	L	71.4	Confident	69.5	Low	85 Å²	85	108 Å²	108	45%	0.445	55%	0.552	S	S	.	*	H	α-helix	trans	-64.7	-40.6	170.8	-65.4	177.7	0	0	0	111.5	P26 S27 D28 I34 S35	P26-L31 HydrophobicContact CB-CD2 3.88Å; P26-L31 HydrophobicContact CB-CG 4.09Å; P26-L31 HydrophobicContact CG-CD2 4.48Å; S27-L31 PolarHBondContact O-N 3.46Å; D28-L31 PolarHBondContact O-N 3.21Å; L31-I34 PolarHBondContact O-N 2.97Å; L31-S35 PolarHBondContact O-N 3.44Å
32	D	75.9	Confident	70.9	Confident	92 Å²	92	103.9 Å²	103.9	49%	0.492	54%	0.541	S	S	.	.	H	α-helix	trans	-68.4	-38.5	174.9	-81.1	-9	0	0	0	111.8	D28 I34 S35 E36 R84	D28-D32 WeakPolarHBondContact O-CB 3.44Å; D28-D32 PolarHBondContact O-N 3.44Å; D32-I34 VanDerWaalsContact C-N 3.34Å; D32-I34 PolarHBondContact O-N 3.44Å; D32-S35 WeakPolarHBondContact O-CB 3.45Å; D32-S35 PolarHBondContact O-N 2.94Å; D32-E36 WeakPolarHBondContact O-CB 3.5Å; D32-E36 PolarHBondContact O-N 2.59Å; D32-R84 IonicContact OD1-NH2 3.22Å; D32-R84 PolarHBondContact OD1-NH2 2.66Å
33	K	76.6	Confident	72.2	Confident	103 Å²	103	101.5 Å²	101.5	45%	0.448	53%	0.526	S	S	.	.	H	α-helix	trans	-59.2	-41.6	170.4	-72.5	159.8	-144.1	154.3	0	112.3	E29 D30 A37	E29-K33 WeakPolarHBondContact O-CD 3.44Å; E29-K33 WeakPolarHBondContact O-CE 3.49Å; E29-K33 WeakPolarHBondContact O-CG 3.44Å; E29-K33 PolarHBondContact O-N 2.96Å; D30-K33 PolarHBondContact O-N 3.02Å; D30-K33 IonicContact OD1-NZ 3.38Å; D30-K33 PolarHBondContact OD1-NZ 3.03Å; K33-A37 WeakPolarHBondContact O-CB 3.49Å; K33-A37 PolarHBondContact O-N 3.22Å
34	I	77.1	Confident	73.2	Confident	106 Å²	106	98.5 Å²	98.5	54%	0.544	51%	0.514	S	S	.	.	H	α-helix	trans	-66.2	-40.5	176.5	-70	162.9	0	0	0	110.4	D30 L31 D32 A37 N38	D30-I34 WeakPolarHBondContact O-CD1 3.15Å; D30-I34 VanDerWaalsContact O-CG1 3.23Å; D30-I34 WeakPolarHBondContact O-CG1 3.32Å; D30-I34 PolarHBondContact O-N 3.12Å; L31-I34 PolarHBondContact O-N 2.97Å; D32-I34 VanDerWaalsContact C-N 3.34Å; D32-I34 PolarHBondContact O-N 3.44Å; I34-A37 PolarHBondContact O-N 3.37Å; I34-N38 WeakPolarHBondContact O-CB 3.37Å; I34-N38 PolarHBondContact O-N 2.7Å
35	S	79.6	Confident	74.1	Confident	41 Å²	41	98.6 Å²	98.6	29%	0.287	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-47	175.4	-161.1	0	0	0	0	111.9	L31 D32 A37 N38 E39	L31-S35 PolarHBondContact O-N 3.44Å; D32-S35 WeakPolarHBondContact O-CB 3.45Å; D32-S35 PolarHBondContact O-N 2.94Å; S35-A37 VanDerWaalsContact C-N 3.35Å; S35-A37 PolarHBondContact O-N 3.46Å; S35-N38 PolarHBondContact O-N 3.03Å; S35-N38 VanDerWaalsContact O-N 3.13Å; S35-E39 PolarHBondContact O-N 3.14Å
36	E	79.8	Confident	75	Confident	130 Å²	130	93.9 Å²	93.9	61%	0.607	51%	0.506	S	S	*	.	H	α-helix	trans	-60.8	-42.6	177.4	-176	177.4	-166.4	0	0	111.6	D32 N38 E39 L40	D32-E36 WeakPolarHBondContact O-CB 3.5Å; D32-E36 PolarHBondContact O-N 2.59Å; E36-N38 VanDerWaalsContact C-N 3.31Å; E36-N38 PolarHBondContact O-N 3.29Å; E36-E39 PolarHBondContact O-N 3.44Å; E36-L40 HydrophobicContact CG-CD1 4.27Å; E36-L40 WeakPolarHBondContact O-CB 3.41Å; E36-L40 WeakPolarHBondContact O-CG 3.49Å; E36-L40 PolarHBondContact O-N 3.45Å
37	A	77.4	Confident	75.1	Confident	59 Å²	59	93.1 Å²	93.1	49%	0.488	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-35.9	174.8	0	0	0	0	0	112.7	K33 I34 S35 F41	K33-A37 WeakPolarHBondContact O-CB 3.49Å; K33-A37 PolarHBondContact O-N 3.22Å; I34-A37 PolarHBondContact O-N 3.37Å; S35-A37 VanDerWaalsContact C-N 3.35Å; S35-A37 PolarHBondContact O-N 3.46Å; A37-F41 PolarHBondContact O-N 3.24Å
38	N	77.5	Confident	75.1	Confident	94 Å²	94	95.2 Å²	95.2	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-75.1	-38.2	178.5	-145.8	102.7	0	0	0	112	I34 S35 E36 F41 D42	I34-N38 WeakPolarHBondContact O-CB 3.37Å; I34-N38 PolarHBondContact O-N 2.7Å; S35-N38 PolarHBondContact O-N 3.03Å; S35-N38 VanDerWaalsContact O-N 3.13Å; E36-N38 VanDerWaalsContact C-N 3.31Å; E36-N38 PolarHBondContact O-N 3.29Å; N38-F41 WeakPolarHBondContact O-CB 3.36Å; N38-F41 PolarHBondContact O-N 3.09Å; N38-D42 PolarHBondContact O-N 3.48Å
39	E	81.1	Confident	75	Confident	135 Å²	135	93.4 Å²	93.4	63%	0.631	52%	0.517	S	S	*	.	H	α-helix	trans	-64.7	-38.3	172.5	-73.5	-179.7	-151.4	0	0	111.8	S35 E36 D42 A43	S35-E39 PolarHBondContact O-N 3.14Å; E36-E39 PolarHBondContact O-N 3.44Å; E39-D42 PolarHBondContact O-N 3.41Å; E39-A43 WeakPolarHBondContact O-CB 3.46Å; E39-A43 PolarHBondContact O-N 2.87Å
40	L	82.4	Confident	74.2	Confident	106 Å²	106	94.2 Å²	94.2	56%	0.555	53%	0.525	S	S	*	.	H	α-helix	trans	-63.6	-38.7	171.7	-82.3	164.7	0	0	0	112.5	E36 A43 V44	E36-L40 HydrophobicContact CG-CD1 4.27Å; E36-L40 WeakPolarHBondContact O-CB 3.41Å; E36-L40 WeakPolarHBondContact O-CG 3.49Å; E36-L40 PolarHBondContact O-N 3.45Å; L40-A43 PolarHBondContact O-N 3.47Å; L40-V44 WeakPolarHBondContact O-CG2 3.41Å; L40-V44 PolarHBondContact O-N 3.25Å; L40-V44 VanDerWaalsContact O-N 3.09Å
41	F	81.5	Confident	73.1	Confident	127 Å²	127	100.4 Å²	100.4	56%	0.557	55%	0.549	S	S	*	.	H	α-helix	trans	-65.6	-45	176.5	-170	-106.5	0	0	0	111.6	A37 N38 A43 V44 L45	A37-F41 PolarHBondContact O-N 3.24Å; N38-F41 WeakPolarHBondContact O-CB 3.36Å; N38-F41 PolarHBondContact O-N 3.09Å; F41-A43 VanDerWaalsContact C-N 3.35Å; F41-A43 PolarHBondContact O-N 3Å; F41-V44 PolarHBondContact O-N 3.07Å; F41-L45 HydrophobicContact CD1-CD1 3.79Å; F41-L45 HydrophobicContact CD1-CG 4.41Å; F41-L45 HydrophobicContact CE1-CD1 3.57Å; F41-L45 HydrophobicContact CE1-CG 4.27Å; F41-L45 HydrophobicContact CZ-CD1 4.3Å; F41-L45 WeakPolarHBondContact O-CG 3.37Å; F41-L45 PolarHBondContact O-N 2.9Å
42	D	79.2	Confident	71.7	Confident	83 Å²	83	103.9 Å²	103.9	44%	0.444	57%	0.568	S	S	.	*	H	α-helix	trans	-65.5	-35.2	174.6	-77.3	-20.6	0	0	0	112.4	N38 E39 V44 L45 T46	N38-D42 PolarHBondContact O-N 3.48Å; E39-D42 PolarHBondContact O-N 3.41Å; D42-V44 VanDerWaalsContact C-N 3.32Å; D42-V44 PolarHBondContact O-N 2.94Å; D42-L45 PolarHBondContact O-N 2.91Å; D42-T46 WeakPolarHBondContact O-CB 3.43Å; D42-T46 WeakPolarHBondContact O-CG2 3.23Å; D42-T46 PolarHBondContact O-N 3.32Å; D42-T46 PolarHBondContact O-OG1 3.13Å
43	A	81.3	Confident	70.1	Confident	26 Å²	26	108.3 Å²	108.3	22%	0.215	58%	0.583	C	S	.	*	H	α-helix	trans	-64	-36	174.1	0	0	0	0	0	112.7	E39 L40 F41 T46 G47 T48 V49	E39-A43 WeakPolarHBondContact O-CB 3.46Å; E39-A43 PolarHBondContact O-N 2.87Å; L40-A43 PolarHBondContact O-N 3.47Å; F41-A43 VanDerWaalsContact C-N 3.35Å; F41-A43 PolarHBondContact O-N 3Å; A43-T46 PolarHBondContact O-OG1 3.04Å; A43-G47 PolarHBondContact O-N 3.45Å; A43-G47 VanDerWaalsContact O-N 3.14Å; A43-T48 WeakPolarHBondContact CA-OG1 3.18Å; A43-T48 PolarHBondContact O-N 3.01Å; A43-T48 PolarHBondContact O-OG1 3.35Å; A43-V49 WeakPolarHBondContact O-CG2 3.15Å
44	V	80.1	Confident	67.9	Low	101 Å²	101	112.5 Å²	112.5	61%	0.612	60%	0.601	S	S	*	*	H	α-helix	trans	-70.1	-44.9	173.1	170.4	0	0	0	0	111.1	L40 F41 D42 T46 G47 V49	L40-V44 WeakPolarHBondContact O-CG2 3.41Å; L40-V44 PolarHBondContact O-N 3.25Å; L40-V44 VanDerWaalsContact O-N 3.09Å; F41-V44 PolarHBondContact O-N 3.07Å; D42-V44 VanDerWaalsContact C-N 3.32Å; D42-V44 PolarHBondContact O-N 2.94Å; V44-T46 VanDerWaalsContact C-N 3.33Å; V44-T46 PolarHBondContact O-N 3.42Å; V44-G47 PolarHBondContact O-N 3.49Å; V44-V49 HydrophobicContact CG2-CG2 4.11Å
45	L	72.5	Confident	65.9	Low	122 Å²	122	114 Å²	114	64%	0.639	62%	0.615	S	S	*	*	H	α-helix	trans	-64.5	-34.7	178.1	-72.9	176.9	0	0	0	113.4	F41 D42	F41-L45 HydrophobicContact CD1-CD1 3.79Å; F41-L45 HydrophobicContact CD1-CG 4.41Å; F41-L45 HydrophobicContact CE1-CD1 3.57Å; F41-L45 HydrophobicContact CE1-CG 4.27Å; F41-L45 HydrophobicContact CZ-CD1 4.3Å; F41-L45 WeakPolarHBondContact O-CG 3.37Å; F41-L45 PolarHBondContact O-N 2.9Å; D42-L45 PolarHBondContact O-N 2.91Å
46	T	74.8	Confident	63.5	Low	97 Å²	97	117.7 Å²	117.7	60%	0.595	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-6.3	178.7	55.7	0	0	0	0	113.7	D42 A43 V44 T48	D42-T46 WeakPolarHBondContact O-CB 3.43Å; D42-T46 WeakPolarHBondContact O-CG2 3.23Å; D42-T46 PolarHBondContact O-N 3.32Å; D42-T46 PolarHBondContact O-OG1 3.13Å; A43-T46 PolarHBondContact O-OG1 3.04Å; V44-T46 VanDerWaalsContact C-N 3.33Å; V44-T46 PolarHBondContact O-N 3.42Å; T46-T48 VanDerWaalsContact C-N 3.3Å; T46-T48 PolarHBondContact O-N 3.42Å; T46-T48 WeakPolarHBondContact OG1-CG2 3.5Å; T46-T48 PolarHBondContact OG1-OG1 2.96Å
47	G	62.3	Low	61	Low	63 Å²	63	116 Å²	116	65%	0.649	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.7	23.6	179.4	0	0	0	0	0	114.3	A43 V44	A43-G47 PolarHBondContact O-N 3.45Å; A43-G47 VanDerWaalsContact O-N 3.14Å; V44-G47 PolarHBondContact O-N 3.49Å
48	T	65.1	Low	58.9	Low	92 Å²	92	122.2 Å²	122.2	56%	0.564	66%	0.66	S	S	*	*			trans	-90	6.2	-173.2	55.4	0	0	0	0	114.6	A43 T46 D50	A43-T48 WeakPolarHBondContact CA-OG1 3.18Å; A43-T48 PolarHBondContact O-N 3.01Å; A43-T48 PolarHBondContact O-OG1 3.35Å; T46-T48 VanDerWaalsContact C-N 3.3Å; T46-T48 PolarHBondContact O-N 3.42Å; T46-T48 WeakPolarHBondContact OG1-CG2 3.5Å; T46-T48 PolarHBondContact OG1-OG1 2.96Å; T48-D50 VanDerWaalsContact C-N 3.35Å; T48-D50 PolarHBondContact O-N 2.92Å
49	V	58.7	Low	56.4	Low	95 Å²	95	124.2 Å²	124.2	58%	0.576	68%	0.675	S	S	*	*			trans	-65.1	-30.2	-167.4	-170.5	0	0	0	0	113.8	A43 V44 K51	A43-V49 WeakPolarHBondContact O-CG2 3.15Å; V44-V49 HydrophobicContact CG2-CG2 4.11Å; V49-K51 PolarHBondContact O-N 2.97Å
50	D	53.3	Low	54	Low	156 Å²	156	122.1 Å²	122.1	83%	0.834	68%	0.681	S	S	*	*			trans	-94.8	74.5	-173.4	-85	-59.9	0	0	0	114.7	T48	T48-D50 VanDerWaalsContact C-N 3.35Å; T48-D50 PolarHBondContact O-N 2.92Å
51	K	48.3	Very low	51.4	Low	196 Å²	196	123 Å²	123	85%	0.852	70%	0.696	S	S	*	*			trans	-145.3	82.3	156.7	-73.4	-158	177.5	179.8	0	114.6	V49	V49-K51 PolarHBondContact O-N 2.97Å
52	D	41.1	Very low	48.7	Very low	157 Å²	157	123 Å²	123	84%	0.84	71%	0.707	S	S	*	*			trans	23.8	101.3	143.6	-84.2	-47.4	0	0	0	119.4
53	K	41.4	Very low	46.4	Very low	185 Å²	185	128.1 Å²	128.1	80%	0.804	73%	0.725	S	S	*	*				-180	120	95.1	-103.4	166.7	-176.5	166.9	0	116.9
54	K	30.8	Very low	43.8	Very low	192 Å²	192	136.5 Å²	136.5	84%	0.835	76%	0.757	S	S	*	*				49.1	109.6	120.1	-167.5	177.2	-178.1	178.8	0	119.4
55	V	35.8	Very low	41.3	Very low	137 Å²	137	136 Å²	136	83%	0.83	76%	0.763	S	S	*	*			trans	-37.2	132.7	158.8	178.8	0	0	0	0	114.5
56	S	28.5	Very low	39.2	Very low	118 Å²	118	135.8 Å²	135.8	83%	0.825	77%	0.772	S	S	*	*			trans	-148.6	156.4	144.5	-167.1	0	0	0	0	109.4
57	S	28.5	Very low	36.9	Very low	96 Å²	96	139.9 Å²	139.9	67%	0.671	78%	0.784	S	S	*	*			trans	-129.4	166.4	-173.2	68.2	0	0	0	0	112.9
58	K	31.7	Very low	35.2	Very low	189 Å²	189	144.8 Å²	144.8	82%	0.822	80%	0.795	S	S	*	*			trans	80	125.7	154.7	-82.7	-179.1	175.5	178.5	0	121.3
59	T	25.7	Very low	33.4	Very low	136 Å²	136	143.5 Å²	143.5	83%	0.834	80%	0.801	S	S	*	*			trans	93.6	140.9	139.9	-51.1	0	0	0	0	118.6
60	A	29.9	Very low	31.9	Very low	91 Å²	91	145.5 Å²	145.5	75%	0.752	81%	0.808	S	S	*	*			trans	-107.4	164.5	-174	0	0	0	0	0	113.2
61	S	28.2	Very low	30.7	Very low	124 Å²	124	143.4 Å²	143.4	87%	0.867	80%	0.801	S	S	*	*			trans	-164.1	169.3	157	44.7	0	0	0	0	110.9
62	T	24.9	Very low	29.7	Very low	128 Å²	128	139.4 Å²	139.4	79%	0.785	79%	0.794	S	S	*	*			trans	-139.9	137.4	-157.3	-42.9	0	0	0	0	112.9
63	K	30.6	Very low	29.3	Very low	190 Å²	190	140.5 Å²	140.5	83%	0.826	79%	0.793	S	S	*	*			trans	148.8	140.3	134.5	-82.4	168.5	-175.1	177.5	0	114.3
64	K	27.3	Very low	28.8	Very low	202 Å²	202	140.7 Å²	140.7	88%	0.878	80%	0.797	S	S	*	*			trans	28.1	157.9	139.1	-64.6	-168.1	174.3	-164.8	0	122.4
65	A	27.7	Very low	29	Very low	91 Å²	91	141.5 Å²	141.5	75%	0.752	80%	0.801	S	S	*	*			cis	167.2	133.6	-31	0	0	0	0	0	109.4
66	S	27.8	Very low	28.6	Very low	117 Å²	117	144.1 Å²	144.1	82%	0.818	80%	0.801	S	S	*	*			trans	-173.1	150.7	156.3	53.2	0	0	0	0	112
67	E	27	Very low	29.1	Very low	182 Å²	182	147.4 Å²	147.4	85%	0.85	80%	0.803	S	S	*	*			trans	-69.5	176	168.8	-75.6	128.5	131.6	0	0	112.3
68	D	27.8	Very low	29.3	Very low	166 Å²	166	148.2 Å²	148.2	89%	0.888	80%	0.804	S	S	*	*			cis	-152.4	-174	33.6	-156.1	-9.6	0	0	0	113.4
69	G	27.2	Very low	29.7	Very low	66 Å²	66	149.3 Å²	149.3	68%	0.68	81%	0.809	S	S	*	*			trans	-68.4	-174.2	-168.2	0	0	0	0	0	118.4
70	D	26.6	Very low	30.3	Very low	137 Å²	137	150.2 Å²	150.2	73%	0.733	80%	0.804	S	S	*	*			cis	-153.9	167.8	14.2	-176	42.9	0	0	0	113.1
71	T	27.4	Very low	30.7	Very low	111 Å²	111	155.1 Å²	155.1	68%	0.681	81%	0.808	S	S	*	*			trans	17.5	145.7	163.8	57.9	0	0	0	0	122
72	T	28.8	Very low	31.4	Very low	113 Å²	113	158 Å²	158	69%	0.693	81%	0.81	S	S	*	*			cis	-149.3	146.6	17.3	-42.1	0	0	0	0	112.5
73	E	32.3	Very low	32.7	Very low	179 Å²	179	157.7 Å²	157.7	84%	0.836	81%	0.808	S	S	*	*			trans	34.6	103.4	157.4	-68.5	173.8	-141.3	0	0	122.6
74	E	29.7	Very low	34.4	Very low	189 Å²	189	157.1 Å²	157.1	88%	0.883	80%	0.801	S	S	*	*			trans	-133	144.6	138.4	-83.2	-157.6	143.8	0	0	111.2	K76	E74-K76 PolarHBondContact O-N 3.26Å
75	K	35	Very low	36.9	Very low	209 Å²	209	152.3 Å²	152.3	91%	0.909	78%	0.78	S	S	*	*			trans	-76.8	89.3	-173.1	-69.1	178.3	-179.9	173.6	0	112.8	H77	K75-H77 PolarHBondContact O-N 3.45Å
76	K	29.2	Very low	40.1	Very low	192 Å²	192	149.6 Å²	149.6	84%	0.835	75%	0.753	S	S	*	*			trans	-75.1	121	172.2	-76.4	178.6	178.6	168.7	0	112.1	E74 T78	E74-K76 PolarHBondContact O-N 3.26Å; K76-T78 PolarHBondContact O-N 3.37Å
77	H	38.2	Very low	43.2	Very low	187 Å²	187	144.5 Å²	144.5	87%	0.866	72%	0.717	S	S	*	*			trans	-68.6	95	165.5	-78.9	-100.7	0	0	0	110.2	K75 K79	K75-H77 PolarHBondContact O-N 3.45Å; H77-K79 PolarHBondContact O-N 3.15Å
78	T	31.7	Very low	46.5	Very low	114 Å²	114	135.9 Å²	135.9	70%	0.699	68%	0.676	S	S	*	*			trans	-63.4	115.5	169.7	-57.8	0	0	0	0	109.4	K76 Q80	K76-T78 PolarHBondContact O-N 3.37Å; T78-Q80 HydrophobicContact CG2-CB 4.19Å; T78-Q80 PolarHBondContact O-N 3.41Å
79	K	39.9	Very low	49.8	Very low	212 Å²	212	129.2 Å²	129.2	92%	0.922	64%	0.639	S	S	*	*			trans	-70.5	71.3	164.4	-77.4	-171.9	172.7	-173.7	0	109.4	H77 K81	H77-K79 PolarHBondContact O-N 3.15Å; K79-K81 PolarHBondContact O-N 3.43Å
80	Q	39.4	Very low	53.1	Low	154 Å²	154	126.1 Å²	126.1	72%	0.72	61%	0.607	S	S	*	*			trans	-69.3	120.8	175.7	-168.4	165.9	-8.8	0	0	108	T78 M82	T78-Q80 HydrophobicContact CG2-CB 4.19Å; T78-Q80 PolarHBondContact O-N 3.41Å; Q80-M82 PolarHBondContact O-N 3.18Å
81	K	37.1	Very low	56.4	Low	194 Å²	194	119.6 Å²	119.6	84%	0.843	57%	0.572	S	S	*	*			trans	-52.8	115	174.2	-174	-176.9	-176.8	-173.5	0	107.3	K79 T83	K79-K81 PolarHBondContact O-N 3.43Å; K81-T83 PolarHBondContact O-N 2.66Å
82	M	44.1	Very low	59.5	Low	184 Å²	184	116.6 Å²	116.6	91%	0.906	55%	0.552	S	S	*	*			trans	-66.3	95.6	-176.5	-87.4	-172.5	165.1	0	0	109.8	Q80 R84	Q80-M82 PolarHBondContact O-N 3.18Å; M82-R84 PolarHBondContact O-N 3.06Å
83	T	52.5	Low	62.7	Low	122 Å²	122	111.3 Å²	111.3	75%	0.748	52%	0.519	S	S	*	.			trans	-56	118.8	157.4	48	0	0	0	0	107.2	K81 K85	K81-T83 PolarHBondContact O-N 2.66Å; T83-K85 PolarHBondContact O-N 3.48Å; T83-K85 VanDerWaalsContact O-N 3.12Å
84	R	65.9	Low	65.6	Low	179 Å²	179	103 Å²	103	68%	0.675	48%	0.481	S	S	*	.			trans	-48.7	120.6	-179.8	-65.4	176.9	-179.7	144.2	1.7	108.1	D32 M82 L86	D32-R84 IonicContact OD1-NH2 3.22Å; D32-R84 PolarHBondContact OD1-NH2 2.66Å; M82-R84 PolarHBondContact O-N 3.06Å; R84-L86 PolarHBondContact O-N 3.44Å
85	K	80.6	Confident	68.6	Low	100 Å²	100	101.1 Å²	101.1	44%	0.435	47%	0.466	S	S	.	.			trans	-70.5	103.8	-172.1	-168.9	-168	-179.7	-164.6	0	109.4	T83 S87 E133 V135	T83-K85 PolarHBondContact O-N 3.48Å; T83-K85 VanDerWaalsContact O-N 3.12Å; K85-S87 VanDerWaalsContact C-N 3.29Å; K85-S87 PolarHBondContact O-N 2.99Å; K85-S87 PolarHBondContact O-OG 3.38Å; K85-E133 IonicContact NZ-OE1 3.97Å; K85-E133 PolarHBondContact NZ-OE1 3.43Å; K85-E133 IonicContact NZ-OE2 3.44Å; K85-V135 VanDerWaalsContact CE-CG2 3.4Å; K85-V135 HydrophobicContact CG-CG1 4.34Å; K85-V135 VanDerWaalsContact NZ-CG2 3.31Å
86	L	92.9	Very high	71.3	Confident	35 Å²	35	98.3 Å²	98.3	18%	0.183	45%	0.45	C	S	.	.			trans	-66.8	88.9	177.3	-57.3	-178	0	0	0	109.7	R84 V136 E139 L142	R84-L86 PolarHBondContact O-N 3.44Å; L86-V136 HydrophobicContact CB-CG2 4.01Å; L86-V136 PolarHBondContact O-N 2.8Å; L86-E139 HydrophobicContact CD1-CG 3.6Å; L86-E139 HydrophobicContact CD2-CG 3.82Å; L86-E139 HydrophobicContact CG-CG 4.37Å; L86-L142 HydrophobicContact CB-CD1 3.92Å; L86-L142 HydrophobicContact CD2-CD1 4.26Å
87	S	94.5	Very high	74.4	Confident	10 Å²	10	89.5 Å²	89.5	7%	0.07	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.3	-174.7	48.5	0	0	0	0	111.8	K85 V134 A164	K85-S87 VanDerWaalsContact C-N 3.29Å; K85-S87 PolarHBondContact O-N 2.99Å; K85-S87 PolarHBondContact O-OG 3.38Å; S87-V134 VanDerWaalsContact CA-O 3.24Å; S87-V134 WeakPolarHBondContact CA-O 3.34Å; S87-A164 VanDerWaalsContact C-CB 3.48Å; S87-A164 VanDerWaalsContact O-CB 3.23Å; S87-A164 WeakPolarHBondContact O-CB 3.34Å; S87-A164 PolarHBondContact O-N 3.08Å; S87-A164 WeakPolarHBondContact OG-CB 3.32Å
88	I	95.9	Very high	77.1	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.6	-175.8	55.3	174.6	0	0	0	109	V90 E133 V134 L142 L145 R162	I88-V90 HydrophobicContact CD1-CG2 3.68Å; I88-V90 HydrophobicContact CG1-CG2 3.97Å; I88-E133 CarbonylContact O-C 3.54Å; I88-E133 WeakPolarHBondContact O-CA 3.38Å; I88-V134 HydrophobicContact CD1-CB 4.31Å; I88-V134 HydrophobicContact CG1-CB 3.92Å; I88-V134 PolarHBondContact N-O 3.41Å; I88-V134 PolarHBondContact O-N 2.95Å; I88-L142 HydrophobicContact CG2-CD1 4.13Å; I88-L142 HydrophobicContact CG2-CD2 4.38Å; I88-L142 HydrophobicContact CG2-CG 3.87Å; I88-L145 HydrophobicContact CD1-CB 3.58Å; I88-L145 HydrophobicContact CD1-CD1 3.56Å; I88-L145 HydrophobicContact CD1-CG 4.16Å; I88-R162 CarbonylContact C-O 3.6Å; I88-R162 VanDerWaalsContact CA-O 3.24Å; I88-R162 WeakPolarHBondContact CA-O 3.45Å; I88-R162 WeakPolarHBondContact CB-O 3.46Å
89	Y	97.4	Very high	80.1	Confident	27 Å²	27	80.8 Å²	80.8	11%	0.106	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.4	163.4	-64.4	-59.6	0	0	0	108.8	A132 E133 C161 R162 A164 N168 L169 F172	Y89-A132 WeakPolarHBondContact CA-O 3.32Å; Y89-E133 HydrophobicContact CD1-CB 3.92Å; Y89-E133 HydrophobicContact CD1-CG 4.19Å; Y89-E133 HydrophobicContact CE1-CB 3.82Å; Y89-E133 HydrophobicContact CE1-CG 3.89Å; Y89-C161 WeakPolarHBondContact O-CA 3.15Å; Y89-R162 PolarHBondContact N-O 2.64Å; Y89-R162 PolarHBondContact O-N 2.97Å; Y89-A164 HydrophobicContact CD2-CB 4.22Å; Y89-A164 VanDerWaalsContact CE2-CA 3.48Å; Y89-A164 HydrophobicContact CE2-CB 3.91Å; Y89-N168 HydrophobicContact CD2-CB 4.19Å; Y89-L169 HydrophobicContact CD2-CB 4.49Å; Y89-L169 HydrophobicContact CE1-CD1 4.09Å; Y89-L169 HydrophobicContact CE2-CB 3.68Å; Y89-L169 HydrophobicContact CE2-CD1 4.38Å; Y89-F172 VanDerWaalsContact CB-CD2 3.42Å; Y89-F172 VanDerWaalsContact CB-CE2 3.41Å; Y89-F172 HydrophobicContact CD2-CD2 4.4Å; Y89-F172 HydrophobicContact CG-CD2 4.14Å
90	V	96.4	Very high	82.7	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.5	174.4	-175	0	0	0	0	107	I88 F93 L102 Y131 A132 V134 M149 I159 D160	I88-V90 HydrophobicContact CD1-CG2 3.68Å; I88-V90 HydrophobicContact CG1-CG2 3.97Å; V90-F93 HydrophobicContact CG1-CE1 4.39Å; V90-F93 VanDerWaalsContact O-CE1 3.3Å; V90-F93 WeakPolarHBondContact O-CE1 3.35Å; V90-L102 HydrophobicContact CG1-CD2 4.15Å; V90-Y131 CarbonylContact O-C 3.51Å; V90-Y131 WeakPolarHBondContact O-CA 3.42Å; V90-A132 PolarHBondContact N-O 3.11Å; V90-A132 PolarHBondContact O-N 3.48Å; V90-A132 VanDerWaalsContact O-O 3.13Å; V90-V134 HydrophobicContact CB-CG2 4.36Å; V90-V134 HydrophobicContact CG2-CB 4.4Å; V90-V134 HydrophobicContact CG2-CG2 3.85Å; V90-M149 HydrophobicContact CG1-SD 4.07Å; V90-I159 HydrophobicContact CG1-CG2 3.52Å; V90-D160 WeakPolarHBondContact CA-O 3.48Å
91	G	95	Very high	85.3	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	-162.1	-174	0	0	0	0	0	114.3	G130 I159 D160	G91-G130 CarbonylContact C-O 3.39Å; G91-G130 WeakPolarHBondContact CA-O 3.46Å; G91-I159 WeakPolarHBondContact O-CA 3.37Å; G91-D160 PolarHBondContact N-O 3.21Å; G91-D160 PolarHBondContact O-N 2.87Å
92	N	93.3	Very high	88	Confident	49 Å²	49	63.7 Å²	63.7	26%	0.262	30%	0.297	S	S	.	.			trans	62.6	43.2	-169.4	-159.1	69.5	0	0	0	111.8	G130 K158 D160 R179	N92-G130 PolarHBondContact N-O 2.87Å; N92-K158 PolarHBondContact ND2-O 3.43Å; N92-D160 HydrophobicContact CB-CB 4.34Å; N92-R179 PolarHBondContact ND2-NH2 2.81Å; N92-R179 VanDerWaalsContact OD1-CZ 3.3Å; N92-R179 PolarHBondContact OD1-NE 2.84Å; N92-R179 VanDerWaalsContact OD1-NE 3.15Å; N92-R179 PolarHBondContact OD1-NH2 2.94Å
93	F	94.7	Very high	90.5	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	27%	0.267	C	S	.	.			trans	-124.6	161.8	173.3	56.2	-115.6	0	0	0	110.8	V90 T97 L102 F119 G130 A132 I154 E157 R179	V90-F93 HydrophobicContact CG1-CE1 4.39Å; V90-F93 VanDerWaalsContact O-CE1 3.3Å; V90-F93 WeakPolarHBondContact O-CE1 3.35Å; F93-T97 HydrophobicContact CB-CG2 4.42Å; F93-T97 HydrophobicContact CD2-CG2 3.78Å; F93-T97 HydrophobicContact CE2-CG2 4.12Å; F93-T97 HydrophobicContact CG-CG2 4.04Å; F93-L102 HydrophobicContact CD1-CD2 4.06Å; F93-L102 HydrophobicContact CE1-CD1 4.14Å; F93-L102 HydrophobicContact CE1-CD2 3.69Å; F93-L102 HydrophobicContact CE1-CG 4.49Å; F93-L102 HydrophobicContact CZ-CD1 4.05Å; F93-L102 HydrophobicContact CZ-CD2 4.32Å; F93-F119 HydrophobicContact CE2-CD1 4.28Å; F93-F119 AromaticContact CE2-CE1 3.83Å; F93-F119 HydrophobicContact CE2-CE1 3.83Å; F93-F119 HydrophobicContact CZ-CD1 4.29Å; F93-F119 AromaticContact CZ-CE1 3.82Å; F93-F119 HydrophobicContact CZ-CE1 3.82Å; F93-G130 PolarHBondContact N-O 2.94Å; F93-G130 WeakPolarHBondContact O-CA 3.4Å; F93-A132 HydrophobicContact CZ-CB 4.12Å; F93-I154 HydrophobicContact CB-CG2 4.24Å; F93-E157 WeakPolarHBondContact CA-OE2 3.46Å; F93-R179 PolarHBondContact O-NH1 3.45Å
94	P	93.2	Very high	92.4	Very high	6 Å²	6	54.4 Å²	54.4	4%	0.039	25%	0.253	C	S	.	.			trans	-75.5	159.4	-177	29.5	-35.8	0	0	0	113.8	W96 T97 N155	P94-W96 HydrophobicContact CB-CD2 3.82Å; P94-W96 HydrophobicContact CB-CE3 3.93Å; P94-W96 HydrophobicContact CB-CH2 3.57Å; P94-W96 HydrophobicContact CB-CZ2 3.44Å; P94-W96 VanDerWaalsContact CB-CZ2 3.44Å; P94-W96 HydrophobicContact CB-CZ3 3.81Å; P94-W96 HydrophobicContact CG-CD2 4.18Å; P94-W96 HydrophobicContact CG-CH2 4.3Å; P94-W96 HydrophobicContact CG-CZ2 3.66Å; P94-W96 PolarHBondContact O-N 3.15Å; P94-T97 WeakPolarHBondContact CD-OG1 3.47Å; P94-T97 VanDerWaalsContact O-CB 3.31Å; P94-T97 WeakPolarHBondContact O-CB 3.46Å; P94-T97 PolarHBondContact O-N 2.62Å; P94-T97 PolarHBondContact O-OG1 3.28Å; P94-N155 HydrophobicContact CG-CB 3.98Å
95	W	93.2	Very high	93.8	Very high	148 Å²	148	46 Å²	46	56%	0.561	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-10.6	-173.3	61.2	-100.7	0	0	0	115.4	Q127 S128	W95-Q127 HydrophobicContact CB-CG 4.24Å; W95-Q127 HydrophobicContact CG-CG 4.41Å; W95-S128 WeakPolarHBondContact CB-O 3.46Å; W95-S128 WeakPolarHBondContact O-CB 3.34Å
96	W	92.3	Very high	94.4	Very high	150 Å²	150	41.3 Å²	41.3	57%	0.568	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	3.8	174.5	61.7	81.2	0	0	0	113.7	P94 N155	P94-W96 HydrophobicContact CB-CD2 3.82Å; P94-W96 HydrophobicContact CB-CE3 3.93Å; P94-W96 HydrophobicContact CB-CH2 3.57Å; P94-W96 HydrophobicContact CB-CZ2 3.44Å; P94-W96 VanDerWaalsContact CB-CZ2 3.44Å; P94-W96 HydrophobicContact CB-CZ3 3.81Å; P94-W96 HydrophobicContact CG-CD2 4.18Å; P94-W96 HydrophobicContact CG-CH2 4.3Å; P94-W96 HydrophobicContact CG-CZ2 3.66Å; P94-W96 PolarHBondContact O-N 3.15Å; W96-N155 PolarHBondContact NE1-ND2 3.26Å
97	T	94.1	Very high	94.5	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.043	22%	0.215	C	C	.	.			trans	-67	130.1	171.1	-66.7	0	0	0	0	110.5	F93 P94 D101 L102 I154 N155	F93-T97 HydrophobicContact CB-CG2 4.42Å; F93-T97 HydrophobicContact CD2-CG2 3.78Å; F93-T97 HydrophobicContact CE2-CG2 4.12Å; F93-T97 HydrophobicContact CG-CG2 4.04Å; P94-T97 WeakPolarHBondContact CD-OG1 3.47Å; P94-T97 VanDerWaalsContact O-CB 3.31Å; P94-T97 WeakPolarHBondContact O-CB 3.46Å; P94-T97 PolarHBondContact O-N 2.62Å; P94-T97 PolarHBondContact O-OG1 3.28Å; T97-D101 HydrophobicContact CG2-CB 4.01Å; T97-L102 HydrophobicContact CG2-CD2 4.43Å; T97-L102 HydrophobicContact CG2-CG 4.42Å; T97-I154 HydrophobicContact CG2-CD1 4.24Å; T97-I154 HydrophobicContact CG2-CG2 3.84Å; T97-I154 VanDerWaalsContact OG1-CG2 3.32Å; T97-I154 WeakPolarHBondContact OG1-CG2 3.44Å; T97-N155 PolarHBondContact OG1-ND2 3.49Å
98	S	94.5	Very high	94.4	Very high	39 Å²	39	51.5 Å²	51.5	27%	0.273	24%	0.242	S	C	.	.			trans	-95.4	164.7	-176.3	68.3	0	0	0	0	113.9	K100 D101 L102	S98-K100 PolarHBondContact O-N 2.83Å; S98-K100 PolarHBondContact OG-N 2.88Å; S98-D101 WeakPolarHBondContact CB-OD2 3.25Å; S98-D101 PolarHBondContact N-OD2 2.99Å; S98-D101 PolarHBondContact O-N 3.35Å; S98-D101 PolarHBondContact OG-N 3.4Å; S98-D101 PolarHBondContact OG-OD2 3.02Å; S98-L102 PolarHBondContact O-N 2.96Å
99	D	94.4	Very high	94.3	Very high	79 Å²	79	52.9 Å²	52.9	42%	0.422	25%	0.25	S	C	.	.	H	α-helix	trans	-50	-40.2	164.7	63.3	-51.1	0	0	0	111.9	L102 T103 F119	D99-L102 PolarHBondContact O-N 2.89Å; D99-T103 WeakPolarHBondContact O-CB 3.26Å; D99-T103 PolarHBondContact O-N 2.85Å; D99-T103 PolarHBondContact O-OG1 3.18Å; D99-F119 HydrophobicContact CB-CE2 4.08Å
100	K	94.8	Very high	94.2	Very high	140 Å²	140	54 Å²	54	61%	0.609	27%	0.269	S	S	*	.	H	α-helix	trans	-69.4	-32.6	-178.7	-64.9	169.3	-169.9	171.6	0	112.3	S98 S104	S98-K100 PolarHBondContact O-N 2.83Å; S98-K100 PolarHBondContact OG-N 2.88Å; K100-S104 WeakPolarHBondContact O-CB 3.33Å; K100-S104 PolarHBondContact O-N 2.95Å; K100-S104 PolarHBondContact O-OG 2.57Å
101	D	94.6	Very high	94.1	Very high	60 Å²	60	54 Å²	54	32%	0.321	27%	0.269	S	S	.	.	H	α-helix	trans	-68.1	-46.2	176.3	-62	-54.9	0	0	0	110.9	T97 S98 S104 L105	T97-D101 HydrophobicContact CG2-CB 4.01Å; S98-D101 WeakPolarHBondContact CB-OD2 3.25Å; S98-D101 PolarHBondContact N-OD2 2.99Å; S98-D101 PolarHBondContact O-N 3.35Å; S98-D101 PolarHBondContact OG-N 3.4Å; S98-D101 PolarHBondContact OG-OD2 3.02Å; D101-S104 PolarHBondContact O-N 3.31Å; D101-L105 VanDerWaalsContact O-CB 3.28Å; D101-L105 WeakPolarHBondContact O-CB 3.24Å; D101-L105 PolarHBondContact O-N 3.35Å
102	L	94.3	Very high	94	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-43.1	176.3	-61.6	175	0	0	0	111.4	V90 F93 T97 S98 D99 L105 A106 I117 F119 A132 I154	V90-L102 HydrophobicContact CG1-CD2 4.15Å; F93-L102 HydrophobicContact CD1-CD2 4.06Å; F93-L102 HydrophobicContact CE1-CD1 4.14Å; F93-L102 HydrophobicContact CE1-CD2 3.69Å; F93-L102 HydrophobicContact CE1-CG 4.49Å; F93-L102 HydrophobicContact CZ-CD1 4.05Å; F93-L102 HydrophobicContact CZ-CD2 4.32Å; T97-L102 HydrophobicContact CG2-CD2 4.43Å; T97-L102 HydrophobicContact CG2-CG 4.42Å; S98-L102 PolarHBondContact O-N 2.96Å; D99-L102 PolarHBondContact O-N 2.89Å; L102-L105 PolarHBondContact O-N 3.05Å; L102-A106 WeakPolarHBondContact O-CB 3.24Å; L102-A106 PolarHBondContact O-N 2.95Å; L102-I117 HydrophobicContact CB-CD1 4.37Å; L102-I117 HydrophobicContact CD1-CG2 4.03Å; L102-F119 HydrophobicContact CD1-CE1 3.9Å; L102-F119 HydrophobicContact CD1-CE2 4.4Å; L102-F119 HydrophobicContact CD1-CZ 3.56Å; L102-F119 HydrophobicContact CG-CZ 4.47Å; L102-A132 HydrophobicContact CD1-CB 3.99Å; L102-I154 HydrophobicContact CD2-CD1 3.73Å
103	T	94.9	Very high	94	Very high	46 Å²	46	61.5 Å²	61.5	28%	0.282	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-46.6	176.5	-54.8	0	0	0	0	111.5	D99 L105 A106 L107 I114 I117	D99-T103 WeakPolarHBondContact O-CB 3.26Å; D99-T103 PolarHBondContact O-N 2.85Å; D99-T103 PolarHBondContact O-OG1 3.18Å; T103-L105 VanDerWaalsContact C-N 3.28Å; T103-L105 PolarHBondContact O-N 2.96Å; T103-A106 PolarHBondContact O-N 3.47Å; T103-L107 HydrophobicContact CG2-CD1 4.09Å; T103-L107 HydrophobicContact CG2-CG 4.49Å; T103-L107 WeakPolarHBondContact O-CB 3.48Å; T103-L107 VanDerWaalsContact O-CG 3.27Å; T103-L107 WeakPolarHBondContact O-CG 3.46Å; T103-L107 PolarHBondContact O-N 3.39Å; T103-I114 HydrophobicContact CG2-CD1 4.37Å; T103-I117 WeakPolarHBondContact OG1-CD1 3.46Å
104	S	94.3	Very high	94	Very high	65 Å²	65	63.5 Å²	63.5	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-65.1	-32.4	178.6	-59.7	0	0	0	0	112.5	K100 D101 R108	K100-S104 WeakPolarHBondContact O-CB 3.33Å; K100-S104 PolarHBondContact O-N 2.95Å; K100-S104 PolarHBondContact O-OG 2.57Å; D101-S104 PolarHBondContact O-N 3.31Å; S104-R108 WeakPolarHBondContact O-CB 3.47Å; S104-R108 PolarHBondContact O-N 2.82Å; S104-R108 VanDerWaalsContact O-N 3.14Å
105	L	93.6	Very high	94	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-69.7	-48	173.1	172.3	57.9	0	0	0	111.8	D101 L102 T103 L107 R108 L109 M149 C152 I154 I159	D101-L105 VanDerWaalsContact O-CB 3.28Å; D101-L105 WeakPolarHBondContact O-CB 3.24Å; D101-L105 PolarHBondContact O-N 3.35Å; L102-L105 PolarHBondContact O-N 3.05Å; T103-L105 VanDerWaalsContact C-N 3.28Å; T103-L105 PolarHBondContact O-N 2.96Å; L105-L107 VanDerWaalsContact C-N 3.34Å; L105-L107 PolarHBondContact O-N 3.22Å; L105-R108 WeakPolarHBondContact O-CB 3.23Å; L105-R108 PolarHBondContact O-N 2.96Å; L105-R108 VanDerWaalsContact O-N 3.11Å; L105-L109 HydrophobicContact CD1-CD1 4.48Å; L105-L109 HydrophobicContact CD1-CG 4.42Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 3.43Å; L105-M149 HydrophobicContact CB-CE 4.43Å; L105-M149 HydrophobicContact CD2-CE 3.85Å; L105-M149 HydrophobicContact CD2-SD 3.35Å; L105-M149 WeakPolarHBondContact CD2-SD 3.46Å; L105-M149 HydrophobicContact CG-CE 3.83Å; L105-M149 HydrophobicContact CG-SD 3.8Å; L105-C152 HydrophobicContact CD1-CB 3.66Å; L105-C152 HydrophobicContact CD2-CB 4.07Å; L105-C152 HydrophobicContact CG-CB 4.49Å; L105-I154 HydrophobicContact CD2-CD1 3.8Å; L105-I154 HydrophobicContact CD2-CG1 4.18Å; L105-I159 HydrophobicContact CD2-CD1 3.2Å
106	A	94.1	Very high	94.1	Very high	2 Å²	2	62.7 Å²	62.7	2%	0.017	33%	0.327	C	S	.	.	H	α-helix	trans	-59.4	-43.4	176.1	0	0	0	0	0	112.1	L102 T103 R108 L109 G110 V111 I114 L145 M149	L102-A106 WeakPolarHBondContact O-CB 3.24Å; L102-A106 PolarHBondContact O-N 2.95Å; T103-A106 PolarHBondContact O-N 3.47Å; A106-R108 VanDerWaalsContact C-N 3.29Å; A106-R108 PolarHBondContact O-N 3.27Å; A106-L109 CarbonylContact O-C 3.55Å; A106-L109 WeakPolarHBondContact O-CA 3.43Å; A106-L109 WeakPolarHBondContact O-CB 3.22Å; A106-L109 PolarHBondContact O-N 2.94Å; A106-G110 PolarHBondContact O-N 3.18Å; A106-G110 VanDerWaalsContact O-N 3.15Å; A106-V111 CarbonylContact C-O 3.58Å; A106-V111 HydrophobicContact CB-CB 4.31Å; A106-V111 HydrophobicContact CB-CG1 4.45Å; A106-V111 PolarHBondContact O-N 2.84Å; A106-I114 HydrophobicContact CB-CD1 3.66Å; A106-I114 HydrophobicContact CB-CG1 4.49Å; A106-L145 HydrophobicContact CB-CD2 4Å; A106-M149 HydrophobicContact CB-CE 4.3Å
107	L	94.8	Very high	94.3	Very high	90 Å²	90	57.2 Å²	57.2	47%	0.471	31%	0.308	S	S	.	.	H	α-helix	trans	-57.6	-40.2	173	-73.6	169.5	0	0	0	112.3	T103 L105 L109 G110 V111 K112	T103-L107 HydrophobicContact CG2-CD1 4.09Å; T103-L107 HydrophobicContact CG2-CG 4.49Å; T103-L107 WeakPolarHBondContact O-CB 3.48Å; T103-L107 VanDerWaalsContact O-CG 3.27Å; T103-L107 WeakPolarHBondContact O-CG 3.46Å; T103-L107 PolarHBondContact O-N 3.39Å; L105-L107 VanDerWaalsContact C-N 3.34Å; L105-L107 PolarHBondContact O-N 3.22Å; L107-L109 VanDerWaalsContact C-N 3.29Å; L107-L109 PolarHBondContact O-N 3.19Å; L107-G110 PolarHBondContact O-N 3.39Å; L107-G110 VanDerWaalsContact O-N 3.1Å; L107-V111 WeakPolarHBondContact CA-O 3.39Å; L107-V111 PolarHBondContact N-O 3.31Å; L107-K112 HydrophobicContact CD2-CB 4.45Å; L107-K112 HydrophobicContact CD2-CG 3.88Å
108	R	93.5	Very high	94.3	Very high	169 Å²	169	62.9 Å²	62.9	64%	0.638	33%	0.329	S	S	*	.	H	α-helix	trans	-68.4	-25	174.9	-178.2	168.6	64.4	-119.1	8.5	113.2	S104 L105 A106 G110	S104-R108 WeakPolarHBondContact O-CB 3.47Å; S104-R108 PolarHBondContact O-N 2.82Å; S104-R108 VanDerWaalsContact O-N 3.14Å; L105-R108 WeakPolarHBondContact O-CB 3.23Å; L105-R108 PolarHBondContact O-N 2.96Å; L105-R108 VanDerWaalsContact O-N 3.11Å; A106-R108 VanDerWaalsContact C-N 3.29Å; A106-R108 PolarHBondContact O-N 3.27Å; R108-G110 VanDerWaalsContact C-N 3.31Å
109	L	93.5	Very high	94.5	Very high	30 Å²	30	63 Å²	63	16%	0.157	33%	0.325	C	S	.	.	H	α-helix	trans	-82.4	-7.7	171.6	-64.6	179.1	0	0	0	113.3	L105 A106 L107 I144 L145 K148 M149	L105-L109 HydrophobicContact CD1-CD1 4.48Å; L105-L109 HydrophobicContact CD1-CG 4.42Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 3.43Å; A106-L109 CarbonylContact O-C 3.55Å; A106-L109 WeakPolarHBondContact O-CA 3.43Å; A106-L109 WeakPolarHBondContact O-CB 3.22Å; A106-L109 PolarHBondContact O-N 2.94Å; L107-L109 VanDerWaalsContact C-N 3.29Å; L107-L109 PolarHBondContact O-N 3.19Å; L109-I144 HydrophobicContact CB-CG2 4.28Å; L109-I144 WeakPolarHBondContact O-CG2 3.23Å; L109-L145 HydrophobicContact CD1-CD2 4.09Å; L109-K148 HydrophobicContact CD1-CB 4.04Å; L109-K148 HydrophobicContact CD2-CB 3.61Å; L109-K148 HydrophobicContact CD2-CD 4.36Å; L109-K148 HydrophobicContact CG-CB 4.36Å; L109-M149 HydrophobicContact CD1-CG 3.94Å; L109-M149 HydrophobicContact CD1-SD 4.32Å
110	G	93.9	Very high	94.5	Very high	50 Å²	50	60 Å²	60	52%	0.515	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.7	-4.8	180	0	0	0	0	0	114.7	A106 L107 R108	A106-G110 PolarHBondContact O-N 3.18Å; A106-G110 VanDerWaalsContact O-N 3.15Å; L107-G110 PolarHBondContact O-N 3.39Å; L107-G110 VanDerWaalsContact O-N 3.1Å; R108-G110 VanDerWaalsContact C-N 3.31Å
111	V	94.4	Very high	94.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.307	C	S	.	.			trans	-87.1	129.7	-174.2	172.5	0	0	0	0	110.9	A106 L107 I114 V136 I144 L145	A106-V111 CarbonylContact C-O 3.58Å; A106-V111 HydrophobicContact CB-CB 4.31Å; A106-V111 HydrophobicContact CB-CG1 4.45Å; A106-V111 PolarHBondContact O-N 2.84Å; L107-V111 WeakPolarHBondContact CA-O 3.39Å; L107-V111 PolarHBondContact N-O 3.31Å; V111-I114 HydrophobicContact CG1-CG1 4.37Å; V111-V136 HydrophobicContact CG1-CG1 4.46Å; V111-I144 HydrophobicContact CG2-CB 4.14Å; V111-I144 HydrophobicContact CG2-CG2 3.8Å; V111-L145 HydrophobicContact CB-CD2 4.43Å; V111-L145 HydrophobicContact CG1-CD1 4.21Å; V111-L145 HydrophobicContact CG1-CG 4.46Å; V111-L145 HydrophobicContact CG2-CD2 4.25Å; V111-L145 HydrophobicContact CG2-CG 4.11Å
112	K	93.2	Very high	94.4	Very high	174 Å²	174	58.6 Å²	58.6	76%	0.757	31%	0.306	S	S	*	.			trans	-126.9	-8.4	-172.7	-64.1	179.1	-178.9	177.2	0	113.8	L107	L107-K112 HydrophobicContact CD2-CB 4.45Å; L107-K112 HydrophobicContact CD2-CG 3.88Å
113	D	93.6	Very high	94.4	Very high	33 Å²	33	68.7 Å²	68.7	18%	0.176	35%	0.35	C	S	.	.			trans	-111.6	40.6	-165.2	62.7	-60.8	0	0	0	112	A115 V136 T137 T138 S141	D113-A115 PolarHBondContact O-N 2.74Å; D113-V136 CarbonylContact O-C 3.56Å; D113-V136 VanDerWaalsContact O-CA 3.32Å; D113-V136 WeakPolarHBondContact O-CA 3.35Å; D113-T137 WeakPolarHBondContact CB-OG1 3.3Å; D113-T137 PolarHBondContact O-N 3.13Å; D113-T137 PolarHBondContact OD2-N 3.23Å; D113-T137 PolarHBondContact OD2-OG1 2.88Å; D113-T138 WeakPolarHBondContact OD2-CB 3.41Å; D113-T138 PolarHBondContact OD2-N 3.16Å; D113-T138 PolarHBondContact OD2-OG1 3.08Å; D113-S141 VanDerWaalsContact CG-OG 3.32Å; D113-S141 VanDerWaalsContact OD1-CB 3.25Å; D113-S141 WeakPolarHBondContact OD1-CB 3.27Å; D113-S141 PolarHBondContact OD1-OG 2.9Å; D113-S141 WeakPolarHBondContact OD2-CB 3.42Å; D113-S141 PolarHBondContact OD2-OG 3.31Å
114	I	94.2	Very high	94.2	Very high	43 Å²	43	73 Å²	73	22%	0.221	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	122.8	169.9	-55.8	172.5	0	0	0	107.8	T103 A106 V111 I117 V134 V135	T103-I114 HydrophobicContact CG2-CD1 4.37Å; A106-I114 HydrophobicContact CB-CD1 3.66Å; A106-I114 HydrophobicContact CB-CG1 4.49Å; V111-I114 HydrophobicContact CG1-CG1 4.37Å; I114-I117 HydrophobicContact CD1-CD1 4.43Å; I114-I117 HydrophobicContact CG2-CD1 4.09Å; I114-I117 HydrophobicContact CG2-CG1 3.65Å; I114-V134 HydrophobicContact CG1-CG1 4.4Å; I114-V134 HydrophobicContact CG2-CG1 3.91Å; I114-V135 CarbonylContact C-O 3.52Å; I114-V135 WeakPolarHBondContact CA-O 3.32Å
115	A	94.1	Very high	94	Very high	67 Å²	67	74.2 Å²	74.2	55%	0.554	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	-34.4	178.2	0	0	0	0	0	112.6	D113 V135 T137	D113-A115 PolarHBondContact O-N 2.74Å; A115-V135 HydrophobicContact CB-CB 4.4Å; A115-V135 HydrophobicContact CB-CG1 4.28Å; A115-V135 PolarHBondContact N-O 2.91Å; A115-T137 HydrophobicContact CB-CG2 4.08Å
116	D	94.5	Very high	93.9	Very high	70 Å²	70	76.4 Å²	76.4	37%	0.374	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	149.7	-174.6	-175.2	18.4	0	0	0	110.6	R118 V135	D116-R118 WeakPolarHBondContact OD2-CD 3.3Å; D116-R118 WeakPolarHBondContact OD2-CG 3.3Å; D116-R118 IonicContact OD2-NE 2.71Å; D116-V135 HydrophobicContact CB-CB 4.01Å; D116-V135 HydrophobicContact CB-CG2 3.88Å; D116-V135 PolarHBondContact N-O 3.44Å; D116-V135 PolarHBondContact O-N 3.37Å
117	I	96.1	Very high	93.9	Very high	34 Å²	34	79.7 Å²	79.7	17%	0.174	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	110.4	173.4	-57.9	-178	0	0	0	108	L102 T103 I114 F119 A132 E133 V134	L102-I117 HydrophobicContact CB-CD1 4.37Å; L102-I117 HydrophobicContact CD1-CG2 4.03Å; T103-I117 WeakPolarHBondContact OG1-CD1 3.46Å; I114-I117 HydrophobicContact CD1-CD1 4.43Å; I114-I117 HydrophobicContact CG2-CD1 4.09Å; I114-I117 HydrophobicContact CG2-CG1 3.65Å; I117-F119 HydrophobicContact CG2-CD2 4.23Å; I117-F119 HydrophobicContact CG2-CE2 3.78Å; I117-F119 HydrophobicContact CG2-CZ 4.34Å; I117-A132 HydrophobicContact CG2-CB 4.23Å; I117-E133 WeakPolarHBondContact CA-O 3.35Å; I117-V134 HydrophobicContact CG1-CG1 4.46Å; I117-V134 HydrophobicContact CG1-CG2 4.48Å; I117-V134 HydrophobicContact CG2-CG2 4.47Å
118	R	95.8	Very high	93.9	Very high	126 Å²	126	76.2 Å²	76.2	48%	0.475	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	103.5	-177.2	-50.4	-161.3	-67	-171.6	3.8	110.2	D116 A132 E133	D116-R118 WeakPolarHBondContact OD2-CD 3.3Å; D116-R118 WeakPolarHBondContact OD2-CG 3.3Å; D116-R118 IonicContact OD2-NE 2.71Å; R118-A132 CarbonylContact O-C 3.58Å; R118-A132 VanDerWaalsContact O-CA 3.3Å; R118-A132 WeakPolarHBondContact O-CA 3.32Å; R118-E133 HydrophobicContact CB-CB 4.34Å; R118-E133 IonicContact CZ-OE2 2.66Å; R118-E133 PolarHBondContact N-O 3.47Å; R118-E133 IonicContact NE-OE2 3.88Å; R118-E133 PolarHBondContact NE-OE2 2.84Å; R118-E133 IonicContact NH2-OE1 2.66Å; R118-E133 PolarHBondContact NH2-OE1 3.37Å; R118-E133 IonicContact NH2-OE2 3.17Å; R118-E133 PolarHBondContact NH2-OE2 2.91Å; R118-E133 PolarHBondContact O-N 2.86Å
119	F	96.9	Very high	94	Very high	43 Å²	43	70.1 Å²	70.1	19%	0.189	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	142.3	174	-75.9	-90.1	0	0	0	111.1	F93 D99 L102 I117 E121 A132	F93-F119 HydrophobicContact CE2-CD1 4.28Å; F93-F119 AromaticContact CE2-CE1 3.83Å; F93-F119 HydrophobicContact CE2-CE1 3.83Å; F93-F119 HydrophobicContact CZ-CD1 4.29Å; F93-F119 AromaticContact CZ-CE1 3.82Å; F93-F119 HydrophobicContact CZ-CE1 3.82Å; D99-F119 HydrophobicContact CB-CE2 4.08Å; L102-F119 HydrophobicContact CD1-CE1 3.9Å; L102-F119 HydrophobicContact CD1-CE2 4.4Å; L102-F119 HydrophobicContact CD1-CZ 3.56Å; L102-F119 HydrophobicContact CG-CZ 4.47Å; I117-F119 HydrophobicContact CG2-CD2 4.23Å; I117-F119 HydrophobicContact CG2-CE2 3.78Å; I117-F119 HydrophobicContact CG2-CZ 4.34Å; F119-E121 HydrophobicContact CB-CG 4.15Å; F119-E121 PolarHBondContact O-N 3.42Å; F119-A132 HydrophobicContact CD1-CB 3.87Å; F119-A132 HydrophobicContact CE1-CB 4.09Å; F119-A132 HydrophobicContact CG-CB 4.14Å
120	A	95.4	Very high	94	Very high	16 Å²	16	68.9 Å²	68.9	13%	0.132	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	112.2	166.9	0	0	0	0	0	108.8	R129 Y131	A120-R129 HydrophobicContact CB-CB 4.19Å; A120-R129 VanDerWaalsContact O-CB 3.23Å; A120-R129 WeakPolarHBondContact O-CB 3.34Å; A120-R129 WeakPolarHBondContact O-CG 3.48Å; A120-R129 PolarHBondContact O-N 3.12Å; A120-Y131 HydrophobicContact CB-CD1 3.81Å; A120-Y131 HydrophobicContact CB-CD2 3.9Å; A120-Y131 HydrophobicContact CB-CE1 3.32Å; A120-Y131 HydrophobicContact CB-CE2 3.43Å; A120-Y131 VanDerWaalsContact CB-CE2 3.43Å; A120-Y131 HydrophobicContact CB-CG 4.06Å; A120-Y131 VanDerWaalsContact CB-OH 3.3Å; A120-Y131 WeakPolarHBondContact CB-OH 3.44Å; A120-Y131 PolarHBondContact N-O 3.29Å
121	E	95.2	Very high	94.1	Very high	110 Å²	110	67.1 Å²	67.1	51%	0.514	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	148.4	-174.9	-69.3	172.4	-157.5	0	0	112	F119 K123 Q127	F119-E121 HydrophobicContact CB-CG 4.15Å; F119-E121 PolarHBondContact O-N 3.42Å; E121-K123 PolarHBondContact O-N 2.83Å; E121-Q127 WeakPolarHBondContact CA-O 3.43Å
122	N	92.8	Very high	94.3	Very high	59 Å²	59	67.1 Å²	67.1	32%	0.316	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	112.7	168.1	174	7.6	0	0	0	110	V124 N125 G126 Q127	N122-V124 PolarHBondContact O-N 2.81Å; N122-V124 PolarHBondContact OD1-N 2.93Å; N122-V124 VanDerWaalsContact OD1-N 3.13Å; N122-N125 VanDerWaalsContact CB-OD1 3.29Å; N122-N125 WeakPolarHBondContact CB-OD1 3.39Å; N122-N125 VanDerWaalsContact CG-OD1 3.31Å; N122-N125 PolarHBondContact ND2-OD1 2.95Å; N122-N125 VanDerWaalsContact ND2-OD1 3.08Å; N122-N125 PolarHBondContact O-N 3.44Å; N122-N125 VanDerWaalsContact O-N 3.07Å; N122-G126 PolarHBondContact O-N 3.1Å; N122-Q127 PolarHBondContact N-O 3.02Å
123	K	92.5	Very high	94.4	Very high	214 Å²	214	59.7 Å²	59.7	93%	0.93	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-15.6	-178	-58.7	-178.2	-177.5	178.6	0	115.4	E121	E121-K123 PolarHBondContact O-N 2.83Å
124	V	91	Very high	94.6	Very high	135 Å²	135	58.3 Å²	58.3	82%	0.818	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-30.3	-179.5	-174.6	0	0	0	0	112.8	N122	N122-V124 PolarHBondContact O-N 2.81Å; N122-V124 PolarHBondContact OD1-N 2.93Å; N122-V124 VanDerWaalsContact OD1-N 3.13Å
125	N	91.5	Very high	94.6	Very high	92 Å²	92	56.9 Å²	56.9	49%	0.492	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139	3.2	-172.2	73.5	-17.6	0	0	0	115.4	N122 Q127	N122-N125 VanDerWaalsContact CB-OD1 3.29Å; N122-N125 WeakPolarHBondContact CB-OD1 3.39Å; N122-N125 VanDerWaalsContact CG-OD1 3.31Å; N122-N125 PolarHBondContact ND2-OD1 2.95Å; N122-N125 VanDerWaalsContact ND2-OD1 3.08Å; N122-N125 PolarHBondContact O-N 3.44Å; N122-N125 VanDerWaalsContact O-N 3.07Å; N125-Q127 PolarHBondContact ND2-OE1 3.36Å; N125-Q127 VanDerWaalsContact ND2-OE1 3.16Å; N125-Q127 PolarHBondContact O-N 2.99Å; N125-Q127 VanDerWaalsContact OD1-CB 3.24Å; N125-Q127 WeakPolarHBondContact OD1-CB 3.35Å; N125-Q127 PolarHBondContact OD1-N 3.15Å; N125-Q127 VanDerWaalsContact OD1-N 3.14Å
126	G	91.6	Very high	94.7	Very high	47 Å²	47	54 Å²	54	49%	0.485	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	11.1	-178.6	0	0	0	0	0	114.4	N122 S128	N122-G126 PolarHBondContact O-N 3.1Å; G126-S128 PolarHBondContact O-N 3.45Å
127	Q	93.8	Very high	94.7	Very high	71 Å²	71	55.1 Å²	55.1	33%	0.332	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126.7	-177.8	-172.5	176.1	8.5	0	0	110.7	W95 E121 N122 N125	W95-Q127 HydrophobicContact CB-CG 4.24Å; W95-Q127 HydrophobicContact CG-CG 4.41Å; E121-Q127 WeakPolarHBondContact CA-O 3.43Å; N122-Q127 PolarHBondContact N-O 3.02Å; N125-Q127 PolarHBondContact ND2-OE1 3.36Å; N125-Q127 VanDerWaalsContact ND2-OE1 3.16Å; N125-Q127 PolarHBondContact O-N 2.99Å; N125-Q127 VanDerWaalsContact OD1-CB 3.24Å; N125-Q127 WeakPolarHBondContact OD1-CB 3.35Å; N125-Q127 PolarHBondContact OD1-N 3.15Å; N125-Q127 VanDerWaalsContact OD1-N 3.14Å
128	S	95.3	Very high	94.6	Very high	18 Å²	18	56.2 Å²	56.2	13%	0.126	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	135	172.4	174	0	0	0	0	111.5	W95 G126 G130	W95-S128 WeakPolarHBondContact CB-O 3.46Å; W95-S128 WeakPolarHBondContact O-CB 3.34Å; G126-S128 PolarHBondContact O-N 3.45Å; S128-G130 VanDerWaalsContact C-N 3.28Å; S128-G130 PolarHBondContact O-N 3.34Å; S128-G130 PolarHBondContact OG-N 2.69Å
129	R	94.6	Very high	94.5	Very high	40 Å²	40	56.6 Å²	56.6	15%	0.151	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	3.1	178.6	-69	179.1	73.3	-164.5	8.6	113.3	A120 Y131 E173 A176 N177 I180	A120-R129 HydrophobicContact CB-CB 4.19Å; A120-R129 VanDerWaalsContact O-CB 3.23Å; A120-R129 WeakPolarHBondContact O-CB 3.34Å; A120-R129 WeakPolarHBondContact O-CG 3.48Å; A120-R129 PolarHBondContact O-N 3.12Å; R129-Y131 HydrophobicContact CB-CD1 4.03Å; R129-Y131 HydrophobicContact CB-CE1 3.83Å; R129-Y131 PolarHBondContact NH1-OH 2.81Å; R129-Y131 VanDerWaalsContact NH1-OH 3.12Å; R129-E173 IonicContact CZ-OE1 2.88Å; R129-E173 IonicContact NH1-OE1 3.2Å; R129-E173 PolarHBondContact NH1-OE1 3.41Å; R129-E173 IonicContact NH2-OE1 3.46Å; R129-E173 PolarHBondContact NH2-OE1 3.32Å; R129-A176 HydrophobicContact CB-CB 3.88Å; R129-A176 VanDerWaalsContact O-CB 3.31Å; R129-A176 WeakPolarHBondContact O-CB 3.37Å; R129-N177 PolarHBondContact NH2-OD1 3.06Å; R129-I180 HydrophobicContact CG-CD1 4.43Å
130	G	94.4	Very high	94.4	Very high	5 Å²	5	60 Å²	60	5%	0.052	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.3	19.7	179.5	0	0	0	0	0	115	G91 N92 F93 S128	G91-G130 CarbonylContact C-O 3.39Å; G91-G130 WeakPolarHBondContact CA-O 3.46Å; N92-G130 PolarHBondContact N-O 2.87Å; F93-G130 PolarHBondContact N-O 2.94Å; F93-G130 WeakPolarHBondContact O-CA 3.4Å; S128-G130 VanDerWaalsContact C-N 3.28Å; S128-G130 PolarHBondContact O-N 3.34Å; S128-G130 PolarHBondContact OG-N 2.69Å
131	Y	96.3	Very high	94.3	Very high	12 Å²	12	59.9 Å²	59.9	5%	0.047	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.6	167.3	74.9	-79.5	0	0	0	111.2	V90 A120 R129 L169 F172 E173 A176	V90-Y131 CarbonylContact O-C 3.51Å; V90-Y131 WeakPolarHBondContact O-CA 3.42Å; A120-Y131 HydrophobicContact CB-CD1 3.81Å; A120-Y131 HydrophobicContact CB-CD2 3.9Å; A120-Y131 HydrophobicContact CB-CE1 3.32Å; A120-Y131 HydrophobicContact CB-CE2 3.43Å; A120-Y131 VanDerWaalsContact CB-CE2 3.43Å; A120-Y131 HydrophobicContact CB-CG 4.06Å; A120-Y131 VanDerWaalsContact CB-OH 3.3Å; A120-Y131 WeakPolarHBondContact CB-OH 3.44Å; A120-Y131 PolarHBondContact N-O 3.29Å; R129-Y131 HydrophobicContact CB-CD1 4.03Å; R129-Y131 HydrophobicContact CB-CE1 3.83Å; R129-Y131 PolarHBondContact NH1-OH 2.81Å; R129-Y131 VanDerWaalsContact NH1-OH 3.12Å; Y131-L169 HydrophobicContact CE2-CD1 4.02Å; Y131-F172 HydrophobicContact CD1-CB 4.22Å; Y131-F172 HydrophobicContact CD2-CB 3.68Å; Y131-F172 HydrophobicContact CD2-CG 4.22Å; Y131-F172 HydrophobicContact CE1-CB 4.46Å; Y131-F172 HydrophobicContact CE2-CB 3.95Å; Y131-F172 HydrophobicContact CG-CB 3.84Å; Y131-F172 HydrophobicContact CG-CD1 4.29Å; Y131-F172 HydrophobicContact CG-CG 4.32Å; Y131-E173 WeakPolarHBondContact OH-CG 3.33Å; Y131-A176 HydrophobicContact CD1-CB 3.99Å; Y131-A176 HydrophobicContact CE1-CB 3.85Å
132	A	97	Very high	94.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	152.7	178.5	0	0	0	0	0	110.8	Y89 V90 F93 L102 I117 R118 F119	Y89-A132 WeakPolarHBondContact CA-O 3.32Å; V90-A132 PolarHBondContact N-O 3.11Å; V90-A132 PolarHBondContact O-N 3.48Å; V90-A132 VanDerWaalsContact O-O 3.13Å; F93-A132 HydrophobicContact CZ-CB 4.12Å; L102-A132 HydrophobicContact CD1-CB 3.99Å; I117-A132 HydrophobicContact CG2-CB 4.23Å; R118-A132 CarbonylContact O-C 3.58Å; R118-A132 VanDerWaalsContact O-CA 3.3Å; R118-A132 WeakPolarHBondContact O-CA 3.32Å; F119-A132 HydrophobicContact CD1-CB 3.87Å; F119-A132 HydrophobicContact CE1-CB 4.09Å; F119-A132 HydrophobicContact CG-CB 4.14Å
133	E	96.6	Very high	94.3	Very high	19 Å²	19	59.4 Å²	59.4	9%	0.089	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122	165.1	-170.6	-166.1	167.6	0	0	108.9	K85 I88 Y89 I117 R118	K85-E133 IonicContact NZ-OE1 3.97Å; K85-E133 PolarHBondContact NZ-OE1 3.43Å; K85-E133 IonicContact NZ-OE2 3.44Å; I88-E133 CarbonylContact O-C 3.54Å; I88-E133 WeakPolarHBondContact O-CA 3.38Å; Y89-E133 HydrophobicContact CD1-CB 3.92Å; Y89-E133 HydrophobicContact CD1-CG 4.19Å; Y89-E133 HydrophobicContact CE1-CB 3.82Å; Y89-E133 HydrophobicContact CE1-CG 3.89Å; I117-E133 WeakPolarHBondContact CA-O 3.35Å; R118-E133 HydrophobicContact CB-CB 4.34Å; R118-E133 IonicContact CZ-OE2 2.66Å; R118-E133 PolarHBondContact N-O 3.47Å; R118-E133 IonicContact NE-OE2 3.88Å; R118-E133 PolarHBondContact NE-OE2 2.84Å; R118-E133 IonicContact NH2-OE1 2.66Å; R118-E133 PolarHBondContact NH2-OE1 3.37Å; R118-E133 IonicContact NH2-OE2 3.17Å; R118-E133 PolarHBondContact NH2-OE2 2.91Å; R118-E133 PolarHBondContact O-N 2.86Å
134	V	96.2	Very high	94.5	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.1	173	-178.4	0	0	0	0	108.2	S87 I88 V90 I114 I117 V136	S87-V134 VanDerWaalsContact CA-O 3.24Å; S87-V134 WeakPolarHBondContact CA-O 3.34Å; I88-V134 HydrophobicContact CD1-CB 4.31Å; I88-V134 HydrophobicContact CG1-CB 3.92Å; I88-V134 PolarHBondContact N-O 3.41Å; I88-V134 PolarHBondContact O-N 2.95Å; V90-V134 HydrophobicContact CB-CG2 4.36Å; V90-V134 HydrophobicContact CG2-CB 4.4Å; V90-V134 HydrophobicContact CG2-CG2 3.85Å; I114-V134 HydrophobicContact CG1-CG1 4.4Å; I114-V134 HydrophobicContact CG2-CG1 3.91Å; I117-V134 HydrophobicContact CG1-CG1 4.46Å; I117-V134 HydrophobicContact CG1-CG2 4.48Å; I117-V134 HydrophobicContact CG2-CG2 4.47Å; V134-V136 HydrophobicContact CG1-CG1 4.44Å
135	V	96	Very high	94.6	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.085	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.9	176.6	-167.2	0	0	0	0	108.5	K85 I114 A115 D116	K85-V135 VanDerWaalsContact CE-CG2 3.4Å; K85-V135 HydrophobicContact CG-CG1 4.34Å; K85-V135 VanDerWaalsContact NZ-CG2 3.31Å; I114-V135 CarbonylContact C-O 3.52Å; I114-V135 WeakPolarHBondContact CA-O 3.32Å; A115-V135 HydrophobicContact CB-CB 4.4Å; A115-V135 HydrophobicContact CB-CG1 4.28Å; A115-V135 PolarHBondContact N-O 2.91Å; D116-V135 HydrophobicContact CB-CB 4.01Å; D116-V135 HydrophobicContact CB-CG2 3.88Å; D116-V135 PolarHBondContact N-O 3.44Å; D116-V135 PolarHBondContact O-N 3.37Å
136	V	95.6	Very high	94.8	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.036	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	163	177.4	-64.5	0	0	0	0	110.7	L86 V111 D113 V134 L142 L145	L86-V136 HydrophobicContact CB-CG2 4.01Å; L86-V136 PolarHBondContact O-N 2.8Å; V111-V136 HydrophobicContact CG1-CG1 4.46Å; D113-V136 CarbonylContact O-C 3.56Å; D113-V136 VanDerWaalsContact O-CA 3.32Å; D113-V136 WeakPolarHBondContact O-CA 3.35Å; V134-V136 HydrophobicContact CG1-CG1 4.44Å; V136-L142 HydrophobicContact CG2-CB 3.84Å; V136-L142 HydrophobicContact CG2-CD1 4.42Å; V136-L145 HydrophobicContact CG1-CD1 3.79Å
137	T	94.1	Very high	94.8	Very high	94 Å²	94	46.6 Å²	46.6	58%	0.577	24%	0.236	S	C	*	.	S	Bend	trans	-93.6	-19.4	176.4	69	0	0	0	0	113.8	D113 A115	D113-T137 WeakPolarHBondContact CB-OG1 3.3Å; D113-T137 PolarHBondContact O-N 3.13Å; D113-T137 PolarHBondContact OD2-N 3.23Å; D113-T137 PolarHBondContact OD2-OG1 2.88Å; A115-T137 HydrophobicContact CB-CG2 4.08Å
138	T	94.3	Very high	94.8	Very high	56 Å²	56	47 Å²	47	34%	0.344	24%	0.237	S	C	.	.			trans	-121.8	139.1	-170.4	-32.8	0	0	0	0	112.1	D113 D140 S141 L142	D113-T138 WeakPolarHBondContact OD2-CB 3.41Å; D113-T138 PolarHBondContact OD2-N 3.16Å; D113-T138 PolarHBondContact OD2-OG1 3.08Å; T138-D140 HydrophobicContact CG2-CB 4.4Å; T138-S141 PolarHBondContact O-N 3.34Å; T138-L142 PolarHBondContact O-N 3.43Å; T138-L142 VanDerWaalsContact O-N 3.15Å
139	E	93.2	Very high	94.6	Very high	135 Å²	135	46.2 Å²	46.2	63%	0.631	23%	0.232	S	C	*	.	H	α-helix	trans	-68.3	-35.6	-178.9	-60.8	-168	164.6	0	0	112.5	L86 S141 L142 K143	L86-E139 HydrophobicContact CD1-CG 3.6Å; L86-E139 HydrophobicContact CD2-CG 3.82Å; L86-E139 HydrophobicContact CG-CG 4.37Å; E139-S141 VanDerWaalsContact C-N 3.3Å; E139-S141 PolarHBondContact O-N 2.88Å; E139-L142 WeakPolarHBondContact O-CB 3.44Å; E139-L142 PolarHBondContact O-N 3.35Å; E139-K143 PolarHBondContact O-N 3Å
140	D	94.5	Very high	94.5	Very high	115 Å²	115	45.7 Å²	45.7	62%	0.615	23%	0.233	S	C	*	.	H	α-helix	trans	-56	-45.2	172	-69.9	-48.2	0	0	0	111.7	T138 K143 I144	T138-D140 HydrophobicContact CG2-CB 4.4Å; D140-K143 PolarHBondContact O-N 3.17Å; D140-I144 WeakPolarHBondContact O-CB 3.29Å; D140-I144 WeakPolarHBondContact O-CD1 3.49Å; D140-I144 WeakPolarHBondContact O-CG1 3.24Å; D140-I144 PolarHBondContact O-N 3.27Å
141	S	94.4	Very high	94.3	Very high	12 Å²	12	51.7 Å²	51.7	8%	0.084	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-37.8	178	-71.7	0	0	0	0	112.2	D113 T138 E139 I144 L145	D113-S141 VanDerWaalsContact CG-OG 3.32Å; D113-S141 VanDerWaalsContact OD1-CB 3.25Å; D113-S141 WeakPolarHBondContact OD1-CB 3.27Å; D113-S141 PolarHBondContact OD1-OG 2.9Å; D113-S141 WeakPolarHBondContact OD2-CB 3.42Å; D113-S141 PolarHBondContact OD2-OG 3.31Å; T138-S141 PolarHBondContact O-N 3.34Å; E139-S141 VanDerWaalsContact C-N 3.3Å; E139-S141 PolarHBondContact O-N 2.88Å; S141-I144 PolarHBondContact O-N 3.28Å; S141-L145 WeakPolarHBondContact O-CB 3.28Å; S141-L145 VanDerWaalsContact O-CG 3.26Å; S141-L145 WeakPolarHBondContact O-CG 3.15Å; S141-L145 PolarHBondContact O-N 3.34Å
142	L	94.4	Very high	93.9	Very high	19 Å²	19	52.1 Å²	52.1	10%	0.099	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-45.3	172.7	-171.5	146.2	0	0	0	111.1	L86 I88 V136 T138 E139 L145 L146 F163	L86-L142 HydrophobicContact CB-CD1 3.92Å; L86-L142 HydrophobicContact CD2-CD1 4.26Å; I88-L142 HydrophobicContact CG2-CD1 4.13Å; I88-L142 HydrophobicContact CG2-CD2 4.38Å; I88-L142 HydrophobicContact CG2-CG 3.87Å; V136-L142 HydrophobicContact CG2-CB 3.84Å; V136-L142 HydrophobicContact CG2-CD1 4.42Å; T138-L142 PolarHBondContact O-N 3.43Å; T138-L142 VanDerWaalsContact O-N 3.15Å; E139-L142 WeakPolarHBondContact O-CB 3.44Å; E139-L142 PolarHBondContact O-N 3.35Å; L142-L145 PolarHBondContact O-N 2.93Å; L142-L146 WeakPolarHBondContact O-CB 3.42Å; L142-L146 PolarHBondContact O-N 3.44Å; L142-F163 HydrophobicContact CD2-CD1 3.98Å; L142-F163 HydrophobicContact CD2-CE1 3.59Å
143	K	93.9	Very high	93.6	Very high	141 Å²	141	57.2 Å²	57.2	61%	0.613	29%	0.292	S	S	*	.	H	α-helix	trans	-63.9	-45.8	177.7	-174.5	177.6	178.5	179.9	0	112	E139 D140 L145 L146 E147	E139-K143 PolarHBondContact O-N 3Å; D140-K143 PolarHBondContact O-N 3.17Å; K143-L145 VanDerWaalsContact C-N 3.34Å; K143-L145 PolarHBondContact O-N 3.17Å; K143-L146 PolarHBondContact O-N 3.34Å; K143-E147 WeakPolarHBondContact O-CB 3.32Å; K143-E147 PolarHBondContact O-N 3.44Å
144	I	94.9	Very high	93.4	Very high	50 Å²	50	56.9 Å²	56.9	26%	0.256	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-42.2	177.1	-71.8	163.9	0	0	0	111.3	L109 V111 D140 S141 K148	L109-I144 HydrophobicContact CB-CG2 4.28Å; L109-I144 WeakPolarHBondContact O-CG2 3.23Å; V111-I144 HydrophobicContact CG2-CB 4.14Å; V111-I144 HydrophobicContact CG2-CG2 3.8Å; D140-I144 WeakPolarHBondContact O-CB 3.29Å; D140-I144 WeakPolarHBondContact O-CD1 3.49Å; D140-I144 WeakPolarHBondContact O-CG1 3.24Å; D140-I144 PolarHBondContact O-N 3.27Å; S141-I144 PolarHBondContact O-N 3.28Å; I144-K148 HydrophobicContact CG2-CD 4.3Å; I144-K148 WeakPolarHBondContact O-CB 3.4Å; I144-K148 PolarHBondContact O-N 2.95Å
145	L	94.4	Very high	92.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-48.1	175.5	-69.5	174	0	0	0	111	I88 A106 L109 V111 V136 S141 L142 K143 E147 K148 M149	I88-L145 HydrophobicContact CD1-CB 3.58Å; I88-L145 HydrophobicContact CD1-CD1 3.56Å; I88-L145 HydrophobicContact CD1-CG 4.16Å; A106-L145 HydrophobicContact CB-CD2 4Å; L109-L145 HydrophobicContact CD1-CD2 4.09Å; V111-L145 HydrophobicContact CB-CD2 4.43Å; V111-L145 HydrophobicContact CG1-CD1 4.21Å; V111-L145 HydrophobicContact CG1-CG 4.46Å; V111-L145 HydrophobicContact CG2-CD2 4.25Å; V111-L145 HydrophobicContact CG2-CG 4.11Å; V136-L145 HydrophobicContact CG1-CD1 3.79Å; S141-L145 WeakPolarHBondContact O-CB 3.28Å; S141-L145 VanDerWaalsContact O-CG 3.26Å; S141-L145 WeakPolarHBondContact O-CG 3.15Å; S141-L145 PolarHBondContact O-N 3.34Å; L142-L145 PolarHBondContact O-N 2.93Å; K143-L145 VanDerWaalsContact C-N 3.34Å; K143-L145 PolarHBondContact O-N 3.17Å; L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 3.04Å; L145-K148 PolarHBondContact O-N 3.26Å; L145-M149 HydrophobicContact CB-CG 4.22Å; L145-M149 HydrophobicContact CD2-CE 3.67Å; L145-M149 HydrophobicContact CD2-CG 3.86Å; L145-M149 WeakPolarHBondContact O-CB 3.38Å; L145-M149 WeakPolarHBondContact O-CG 3.35Å; L145-M149 PolarHBondContact O-N 3.34Å
146	L	94.4	Very high	92.3	Very high	48 Å²	48	63.8 Å²	63.8	25%	0.251	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-39.1	-179.8	-166.1	75.6	0	0	0	112.7	L142 K143 P150 F163	L142-L146 WeakPolarHBondContact O-CB 3.42Å; L142-L146 PolarHBondContact O-N 3.44Å; K143-L146 PolarHBondContact O-N 3.34Å; L146-P150 VanDerWaalsContact O-CD 3.26Å; L146-P150 WeakPolarHBondContact O-CD 3.43Å; L146-P150 WeakPolarHBondContact O-CG 3.49Å; L146-F163 HydrophobicContact CD1-CD2 4.41Å; L146-F163 HydrophobicContact CD2-CD2 4.07Å; L146-F163 HydrophobicContact CD2-CE1 4.15Å; L146-F163 HydrophobicContact CD2-CE2 3.4Å; L146-F163 VanDerWaalsContact CD2-CE2 3.4Å; L146-F163 HydrophobicContact CD2-CZ 3.45Å; L146-F163 VanDerWaalsContact CD2-CZ 3.45Å
147	E	93.4	Very high	91.9	Very high	120 Å²	120	66.2 Å²	66.2	56%	0.561	35%	0.354	S	S	*	.	H	α-helix	trans	-74.6	-38.6	179.4	-169.1	-171.5	126.9	0	0	112.6	K143 L145	K143-E147 WeakPolarHBondContact O-CB 3.32Å; K143-E147 PolarHBondContact O-N 3.44Å; L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 3.04Å
148	K	93.4	Very high	91.8	Very high	79 Å²	79	67.4 Å²	67.4	34%	0.343	35%	0.351	S	S	.	.	H	α-helix	trans	-112.5	-22	-166.7	-55.1	-178.2	-172.9	170.6	0	115.9	L109 I144 L145 L151 C152	L109-K148 HydrophobicContact CD1-CB 4.04Å; L109-K148 HydrophobicContact CD2-CB 3.61Å; L109-K148 HydrophobicContact CD2-CD 4.36Å; L109-K148 HydrophobicContact CG-CB 4.36Å; I144-K148 HydrophobicContact CG2-CD 4.3Å; I144-K148 WeakPolarHBondContact O-CB 3.4Å; I144-K148 PolarHBondContact O-N 2.95Å; L145-K148 PolarHBondContact O-N 3.26Å; K148-L151 PolarHBondContact O-N 3.01Å; K148-C152 PolarHBondContact O-SG 3.46Å
149	M	91.4	Very high	91.8	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.015	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-58	-43.5	170.9	-81.8	-81.5	-173.3	0	0	112.4	V90 L105 A106 L109 L145 L151 C152 I159 C161	V90-M149 HydrophobicContact CG1-SD 4.07Å; L105-M149 HydrophobicContact CB-CE 4.43Å; L105-M149 HydrophobicContact CD2-CE 3.85Å; L105-M149 HydrophobicContact CD2-SD 3.35Å; L105-M149 WeakPolarHBondContact CD2-SD 3.46Å; L105-M149 HydrophobicContact CG-CE 3.83Å; L105-M149 HydrophobicContact CG-SD 3.8Å; A106-M149 HydrophobicContact CB-CE 4.3Å; L109-M149 HydrophobicContact CD1-CG 3.94Å; L109-M149 HydrophobicContact CD1-SD 4.32Å; L145-M149 HydrophobicContact CB-CG 4.22Å; L145-M149 HydrophobicContact CD2-CE 3.67Å; L145-M149 HydrophobicContact CD2-CG 3.86Å; L145-M149 WeakPolarHBondContact O-CB 3.38Å; L145-M149 WeakPolarHBondContact O-CG 3.35Å; L145-M149 PolarHBondContact O-N 3.34Å; M149-L151 PolarHBondContact O-N 3.14Å; M149-C152 WeakPolarHBondContact O-CB 3.3Å; M149-C152 PolarHBondContact O-N 3.19Å; M149-I159 HydrophobicContact SD-CD1 4.38Å; M149-I159 HydrophobicContact SD-CG2 4.48Å; M149-C161 HydrophobicContact CB-CB 3.54Å; M149-C161 HydrophobicContact CG-CB 4.44Å
150	P	92.6	Very high	91.8	Very high	28 Å²	28	60.3 Å²	60.3	18%	0.182	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-64.9	-10.5	179.1	-22.8	35	0	0	0	115.3	L146 K158 C161	L146-P150 VanDerWaalsContact O-CD 3.26Å; L146-P150 WeakPolarHBondContact O-CD 3.43Å; L146-P150 WeakPolarHBondContact O-CG 3.49Å; P150-K158 WeakPolarHBondContact O-CE 3.28Å; P150-C161 HydrophobicContact CG-CB 3.95Å
151	L	89.3	Confident	91.9	Very high	131 Å²	131	55.1 Å²	55.1	69%	0.686	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-92.2	-11.6	174.5	-53.2	174.9	0	0	0	111.7	K148 M149	K148-L151 PolarHBondContact O-N 3.01Å; M149-L151 PolarHBondContact O-N 3.14Å
152	C	88.6	Confident	91.9	Very high	22 Å²	22	58.4 Å²	58.4	15%	0.149	30%	0.299	C	S	.	.			trans	-95.6	157.9	-175	-64.8	0	0	0	0	112.5	L105 K148 M149 I159	L105-C152 HydrophobicContact CD1-CB 3.66Å; L105-C152 HydrophobicContact CD2-CB 4.07Å; L105-C152 HydrophobicContact CG-CB 4.49Å; K148-C152 PolarHBondContact O-SG 3.46Å; M149-C152 WeakPolarHBondContact O-CB 3.3Å; M149-C152 PolarHBondContact O-N 3.19Å; C152-I159 HydrophobicContact CB-CD1 4.06Å; C152-I159 PolarHBondContact O-N 3.39Å; C152-I159 VanDerWaalsContact O-N 3.11Å
153	H	90.9	Very high	92	Very high	106 Å²	106	62.7 Å²	62.7	49%	0.491	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.7	178.4	-62.7	68	0	0	0	109.7	E157 K158	H153-E157 CarbonylContact C-O 3.57Å; H153-E157 WeakPolarHBondContact CA-O 3.4Å; H153-E157 WeakPolarHBondContact CB-O 3.38Å; H153-K158 VanDerWaalsContact CD2-CA 3.49Å; H153-K158 WeakPolarHBondContact CD2-CA 3.47Å
154	I	90.6	Very high	92	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.062	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.5	170.1	-84.4	165.9	0	0	0	107.3	F93 T97 L102 L105 G156 E157 I159	F93-I154 HydrophobicContact CB-CG2 4.24Å; T97-I154 HydrophobicContact CG2-CD1 4.24Å; T97-I154 HydrophobicContact CG2-CG2 3.84Å; T97-I154 VanDerWaalsContact OG1-CG2 3.32Å; T97-I154 WeakPolarHBondContact OG1-CG2 3.44Å; L102-I154 HydrophobicContact CD2-CD1 3.73Å; L105-I154 HydrophobicContact CD2-CD1 3.8Å; L105-I154 HydrophobicContact CD2-CG1 4.18Å; I154-G156 PolarHBondContact O-N 3.47Å; I154-E157 PolarHBondContact N-O 3.48Å; I154-E157 PolarHBondContact O-N 3.25Å; I154-I159 HydrophobicContact CB-CD1 4.26Å; I154-I159 HydrophobicContact CB-CG1 4.44Å; I154-I159 HydrophobicContact CD1-CD1 3.69Å; I154-I159 HydrophobicContact CD1-CG1 4.44Å; I154-I159 HydrophobicContact CG1-CD1 3.83Å
155	N	85.4	Confident	91.9	Very high	95 Å²	95	58 Å²	58	51%	0.508	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	24.7	177.4	-58.6	-27.9	0	0	0	114.8	P94 W96 T97	P94-N155 HydrophobicContact CG-CB 3.98Å; W96-N155 PolarHBondContact NE1-ND2 3.26Å; T97-N155 PolarHBondContact OG1-ND2 3.49Å
156	G	84.2	Confident	91.8	Very high	68 Å²	68	66.4 Å²	66.4	70%	0.701	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-14.4	-176.5	0	0	0	0	0	115	I154	I154-G156 PolarHBondContact O-N 3.47Å
157	E	88.1	Confident	91.8	Very high	57 Å²	57	71.5 Å²	71.5	27%	0.266	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	137.5	175.4	-64.4	-175.1	-162.1	0	0	111.2	F93 H153 I154 R179	F93-E157 WeakPolarHBondContact CA-OE2 3.46Å; H153-E157 CarbonylContact C-O 3.57Å; H153-E157 WeakPolarHBondContact CA-O 3.4Å; H153-E157 WeakPolarHBondContact CB-O 3.38Å; I154-E157 PolarHBondContact N-O 3.48Å; I154-E157 PolarHBondContact O-N 3.25Å; E157-R179 IonicContact OE1-NH1 2.69Å; E157-R179 IonicContact OE2-CZ 3.17Å; E157-R179 IonicContact OE2-NH1 3.34Å; E157-R179 PolarHBondContact OE2-NH1 2.97Å; E157-R179 IonicContact OE2-NH2 2.71Å; E157-R179 PolarHBondContact OE2-NH2 3.18Å
158	K	91.6	Very high	91.9	Very high	118 Å²	118	67 Å²	67	51%	0.513	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.8	172.7	-173	-167	173.8	-170.7	0	109.8	N92 P150 H153	N92-K158 PolarHBondContact ND2-O 3.43Å; P150-K158 WeakPolarHBondContact O-CE 3.28Å; H153-K158 VanDerWaalsContact CD2-CA 3.49Å; H153-K158 WeakPolarHBondContact CD2-CA 3.47Å
159	I	94.2	Very high	92	Very high	3 Å²	3	65.6 Å²	65.6	2%	0.015	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-79.5	145.5	-179.6	-58.1	166.4	0	0	0	110.3	V90 G91 L105 M149 C152 I154	V90-I159 HydrophobicContact CG1-CG2 3.52Å; G91-I159 WeakPolarHBondContact O-CA 3.37Å; L105-I159 HydrophobicContact CD2-CD1 3.2Å; M149-I159 HydrophobicContact SD-CD1 4.38Å; M149-I159 HydrophobicContact SD-CG2 4.48Å; C152-I159 HydrophobicContact CB-CD1 4.06Å; C152-I159 PolarHBondContact O-N 3.39Å; C152-I159 VanDerWaalsContact O-N 3.11Å; I154-I159 HydrophobicContact CB-CD1 4.26Å; I154-I159 HydrophobicContact CB-CG1 4.44Å; I154-I159 HydrophobicContact CD1-CD1 3.69Å; I154-I159 HydrophobicContact CD1-CG1 4.44Å; I154-I159 HydrophobicContact CG1-CD1 3.83Å
160	D	94.3	Very high	92.2	Very high	39 Å²	39	68.2 Å²	68.2	21%	0.209	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.4	161.9	-168.5	4.3	0	0	0	109.4	V90 G91 N92 R162 F172	V90-D160 WeakPolarHBondContact CA-O 3.48Å; G91-D160 PolarHBondContact N-O 3.21Å; G91-D160 PolarHBondContact O-N 2.87Å; N92-D160 HydrophobicContact CB-CB 4.34Å; D160-R162 IonicContact OD1-NE 3.74Å; D160-R162 PolarHBondContact OD1-NE 3.07Å; D160-R162 IonicContact OD2-CZ 2.73Å; D160-R162 VanDerWaalsContact OD2-CZ 3.22Å; D160-R162 IonicContact OD2-NE 2.7Å; D160-R162 PolarHBondContact OD2-NE 3.46Å; D160-R162 IonicContact OD2-NH2 2.74Å; D160-R162 PolarHBondContact OD2-NH2 2.63Å; D160-F172 HydrophobicContact CB-CE1 4.1Å; D160-F172 HydrophobicContact CB-CZ 4.09Å
161	C	95.1	Very high	92.3	Very high	6 Å²	6	69 Å²	69	4%	0.041	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	123.5	-174.4	178.4	0	0	0	0	110.3	Y89 M149 P150	Y89-C161 WeakPolarHBondContact O-CA 3.15Å; M149-C161 HydrophobicContact CB-CB 3.54Å; M149-C161 HydrophobicContact CG-CB 4.44Å; P150-C161 HydrophobicContact CG-CB 3.95Å
162	R	95.4	Very high	92.6	Very high	82 Å²	82	62.9 Å²	62.9	31%	0.309	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	158.3	-175.3	-47.9	-175.1	-173.8	-160.5	4.3	111.6	I88 Y89 D160 N168 F172	I88-R162 CarbonylContact C-O 3.6Å; I88-R162 VanDerWaalsContact CA-O 3.24Å; I88-R162 WeakPolarHBondContact CA-O 3.45Å; I88-R162 WeakPolarHBondContact CB-O 3.46Å; Y89-R162 PolarHBondContact N-O 2.64Å; Y89-R162 PolarHBondContact O-N 2.97Å; D160-R162 IonicContact OD1-NE 3.74Å; D160-R162 PolarHBondContact OD1-NE 3.07Å; D160-R162 IonicContact OD2-CZ 2.73Å; D160-R162 VanDerWaalsContact OD2-CZ 3.22Å; D160-R162 IonicContact OD2-NE 2.7Å; D160-R162 PolarHBondContact OD2-NE 3.46Å; D160-R162 IonicContact OD2-NH2 2.74Å; D160-R162 PolarHBondContact OD2-NH2 2.63Å; R162-N168 HydrophobicContact CB-CB 4.18Å; R162-N168 WeakPolarHBondContact CD-OD1 3.48Å; R162-F172 HydrophobicContact CB-CE2 4.13Å; R162-F172 HydrophobicContact CG-CE2 3.95Å; R162-F172 HydrophobicContact CG-CZ 4.23Å
163	F	95.3	Very high	92.9	Very high	108 Å²	108	65.3 Å²	65.3	47%	0.474	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	144.5	170.8	-66.2	-80.4	0	0	0	112.2	L142 L146 T165 N168	L142-F163 HydrophobicContact CD2-CD1 3.98Å; L142-F163 HydrophobicContact CD2-CE1 3.59Å; L146-F163 HydrophobicContact CD1-CD2 4.41Å; L146-F163 HydrophobicContact CD2-CD2 4.07Å; L146-F163 HydrophobicContact CD2-CE1 4.15Å; L146-F163 HydrophobicContact CD2-CE2 3.4Å; L146-F163 VanDerWaalsContact CD2-CE2 3.4Å; L146-F163 HydrophobicContact CD2-CZ 3.45Å; L146-F163 VanDerWaalsContact CD2-CZ 3.45Å; F163-T165 HydrophobicContact CB-CG2 4.13Å; F163-T165 PolarHBondContact O-N 3.14Å; F163-N168 WeakPolarHBondContact O-CB 3.26Å; F163-N168 PolarHBondContact O-ND2 3.17Å
164	A	94.1	Very high	93	Very high	32 Å²	32	63.9 Å²	63.9	26%	0.264	34%	0.339	S	S	.	.			trans	-74.9	61.3	178.4	0	0	0	0	0	113.8	S87 Y89	S87-A164 VanDerWaalsContact C-CB 3.48Å; S87-A164 VanDerWaalsContact O-CB 3.23Å; S87-A164 WeakPolarHBondContact O-CB 3.34Å; S87-A164 PolarHBondContact O-N 3.08Å; S87-A164 WeakPolarHBondContact OG-CB 3.32Å; Y89-A164 HydrophobicContact CD2-CB 4.22Å; Y89-A164 VanDerWaalsContact CE2-CA 3.48Å; Y89-A164 HydrophobicContact CE2-CB 3.91Å
165	T	94.3	Very high	93.1	Very high	61 Å²	61	65.3 Å²	65.3	37%	0.374	35%	0.346	S	S	.	.			trans	-93.1	157	172.9	69.9	0	0	0	0	111.2	F163 Q167 N168 L169	F163-T165 HydrophobicContact CB-CG2 4.13Å; F163-T165 PolarHBondContact O-N 3.14Å; T165-Q167 PolarHBondContact O-N 2.9Å; T165-N168 PolarHBondContact O-N 3.35Å; T165-N168 PolarHBondContact OG1-N 3.18Å; T165-N168 PolarHBondContact OG1-ND2 2.81Å; T165-L169 PolarHBondContact O-N 3.36Å
166	Q	91.4	Very high	93.4	Very high	176 Å²	176	60.9 Å²	60.9	82%	0.822	32%	0.323	S	S	*	.	H	α-helix	trans	-60.5	-33.8	175.9	-175.4	174.3	-12.6	0	0	112.5	L169 S170	Q166-L169 PolarHBondContact O-N 3.38Å; Q166-S170 PolarHBondContact O-N 3.02Å
167	Q	94.5	Very high	93.7	Very high	156 Å²	156	61.6 Å²	61.6	73%	0.729	31%	0.311	S	S	*	.	H	α-helix	trans	-63.4	-46.5	174.2	-172.7	-176.2	14.8	0	0	111.7	T165 L169 S170 V171	T165-Q167 PolarHBondContact O-N 2.9Å; Q167-L169 VanDerWaalsContact C-N 3.34Å; Q167-S170 PolarHBondContact O-N 3.04Å; Q167-V171 PolarHBondContact O-N 3.11Å
168	N	95.7	Very high	93.7	Very high	24 Å²	24	66.7 Å²	66.7	13%	0.128	33%	0.334	C	S	.	.	H	α-helix	trans	-69	-32.6	178.1	-73.9	-35	0	0	0	112.2	Y89 R162 F163 T165 V171 F172	Y89-N168 HydrophobicContact CD2-CB 4.19Å; R162-N168 HydrophobicContact CB-CB 4.18Å; R162-N168 WeakPolarHBondContact CD-OD1 3.48Å; F163-N168 WeakPolarHBondContact O-CB 3.26Å; F163-N168 PolarHBondContact O-ND2 3.17Å; T165-N168 PolarHBondContact O-N 3.35Å; T165-N168 PolarHBondContact OG1-N 3.18Å; T165-N168 PolarHBondContact OG1-ND2 2.81Å; N168-V171 PolarHBondContact O-N 2.95Å; N168-F172 VanDerWaalsContact O-CD2 3.32Å; N168-F172 WeakPolarHBondContact O-CD2 3.47Å; N168-F172 PolarHBondContact O-N 2.67Å; N168-F172 VanDerWaalsContact O-N 3.08Å
169	L	95	Very high	93	Very high	50 Å²	50	65.1 Å²	65.1	26%	0.262	33%	0.325	S	S	.	.	H	α-helix	trans	-56.8	-49.8	172.6	178.4	58.1	0	0	0	110.8	Y89 Y131 T165 Q166 Q167 V171 F172 E173	Y89-L169 HydrophobicContact CD2-CB 4.49Å; Y89-L169 HydrophobicContact CE1-CD1 4.09Å; Y89-L169 HydrophobicContact CE2-CB 3.68Å; Y89-L169 HydrophobicContact CE2-CD1 4.38Å; Y131-L169 HydrophobicContact CE2-CD1 4.02Å; T165-L169 PolarHBondContact O-N 3.36Å; Q166-L169 PolarHBondContact O-N 3.38Å; Q167-L169 VanDerWaalsContact C-N 3.34Å; L169-V171 VanDerWaalsContact C-N 3.31Å; L169-V171 PolarHBondContact O-N 3.14Å; L169-F172 PolarHBondContact O-N 2.78Å; L169-F172 VanDerWaalsContact O-N 3.16Å; L169-E173 HydrophobicContact CD1-CG 4.1Å; L169-E173 HydrophobicContact CG-CG 4.36Å; L169-E173 WeakPolarHBondContact O-CG 3.23Å; L169-E173 PolarHBondContact O-N 3.3Å
170	S	95.4	Very high	91.6	Very high	59 Å²	59	68.3 Å²	68.3	41%	0.413	34%	0.341	S	S	.	.	H	α-helix	trans	-54.7	-46.8	177	-165.3	0	0	0	0	111.6	Q166 Q167 F172 E173 D174	Q166-S170 PolarHBondContact O-N 3.02Å; Q167-S170 PolarHBondContact O-N 3.04Å; S170-F172 VanDerWaalsContact C-N 3.34Å; S170-F172 PolarHBondContact O-N 3.12Å; S170-E173 PolarHBondContact O-N 3.42Å; S170-E173 VanDerWaalsContact O-N 3.11Å; S170-D174 WeakPolarHBondContact O-CB 3.38Å; S170-D174 VanDerWaalsContact O-CG 3.28Å; S170-D174 PolarHBondContact O-N 2.86Å; S170-D174 VanDerWaalsContact O-OD2 3.04Å; S170-D174 PolarHBondContact OG-OD2 3.14Å
171	V	95.4	Very high	89.4	Confident	45 Å²	45	72.1 Å²	72.1	27%	0.273	37%	0.368	S	S	.	.	H	α-helix	trans	-59.6	-42.6	179.6	177.4	0	0	0	0	111.9	Q167 N168 L169 I175	Q167-V171 PolarHBondContact O-N 3.11Å; N168-V171 PolarHBondContact O-N 2.95Å; L169-V171 VanDerWaalsContact C-N 3.31Å; L169-V171 PolarHBondContact O-N 3.14Å; V171-I175 HydrophobicContact CG1-CD1 3.83Å; V171-I175 WeakPolarHBondContact O-CB 3.14Å; V171-I175 WeakPolarHBondContact O-CD1 3.33Å; V171-I175 VanDerWaalsContact O-CG1 3.23Å; V171-I175 WeakPolarHBondContact O-CG1 3.48Å; V171-I175 PolarHBondContact O-N 3.35Å
172	F	95.7	Very high	86.9	Confident	1 Å²	1	76.7 Å²	76.7	0%	0.004	40%	0.396	C	S	.	.	H	α-helix	trans	-70.8	-33.8	175.6	-79.8	-71	0	0	0	113	Y89 Y131 D160 R162 N168 L169 S170 A176	Y89-F172 VanDerWaalsContact CB-CD2 3.42Å; Y89-F172 VanDerWaalsContact CB-CE2 3.41Å; Y89-F172 HydrophobicContact CD2-CD2 4.4Å; Y89-F172 HydrophobicContact CG-CD2 4.14Å; Y131-F172 HydrophobicContact CD1-CB 4.22Å; Y131-F172 HydrophobicContact CD2-CB 3.68Å; Y131-F172 HydrophobicContact CD2-CG 4.22Å; Y131-F172 HydrophobicContact CE1-CB 4.46Å; Y131-F172 HydrophobicContact CE2-CB 3.95Å; Y131-F172 HydrophobicContact CG-CB 3.84Å; Y131-F172 HydrophobicContact CG-CD1 4.29Å; Y131-F172 HydrophobicContact CG-CG 4.32Å; D160-F172 HydrophobicContact CB-CE1 4.1Å; D160-F172 HydrophobicContact CB-CZ 4.09Å; R162-F172 HydrophobicContact CB-CE2 4.13Å; R162-F172 HydrophobicContact CG-CE2 3.95Å; R162-F172 HydrophobicContact CG-CZ 4.23Å; N168-F172 VanDerWaalsContact O-CD2 3.32Å; N168-F172 WeakPolarHBondContact O-CD2 3.47Å; N168-F172 PolarHBondContact O-N 2.67Å; N168-F172 VanDerWaalsContact O-N 3.08Å; L169-F172 PolarHBondContact O-N 2.78Å; L169-F172 VanDerWaalsContact O-N 3.16Å; S170-F172 VanDerWaalsContact C-N 3.34Å; S170-F172 PolarHBondContact O-N 3.12Å; F172-A176 VanDerWaalsContact O-CB 3.26Å; F172-A176 WeakPolarHBondContact O-CB 3.26Å; F172-A176 PolarHBondContact O-N 3.02Å
173	E	94.5	Very high	84.2	Confident	73 Å²	73	84.6 Å²	84.6	34%	0.341	43%	0.426	S	S	.	.	H	α-helix	trans	-64.2	-43.7	172.1	-69	-151.3	99.6	0	0	112.2	R129 Y131 L169 S170 A176 N177	R129-E173 IonicContact CZ-OE1 2.88Å; R129-E173 IonicContact NH1-OE1 3.2Å; R129-E173 PolarHBondContact NH1-OE1 3.41Å; R129-E173 IonicContact NH2-OE1 3.46Å; R129-E173 PolarHBondContact NH2-OE1 3.32Å; Y131-E173 WeakPolarHBondContact OH-CG 3.33Å; L169-E173 HydrophobicContact CD1-CG 4.1Å; L169-E173 HydrophobicContact CG-CG 4.36Å; L169-E173 WeakPolarHBondContact O-CG 3.23Å; L169-E173 PolarHBondContact O-N 3.3Å; S170-E173 PolarHBondContact O-N 3.42Å; S170-E173 VanDerWaalsContact O-N 3.11Å; E173-A176 PolarHBondContact O-N 3.42Å; E173-N177 WeakPolarHBondContact O-CB 3.26Å; E173-N177 PolarHBondContact O-N 2.99Å; E173-N177 PolarHBondContact O-ND2 2.92Å; E173-N177 VanDerWaalsContact O-ND2 3.14Å; E173-N177 PolarHBondContact O-OD1 2.83Å
174	D	93.8	Very high	81.5	Confident	76 Å²	76	82.6 Å²	82.6	41%	0.406	43%	0.429	S	S	.	.	H	α-helix	trans	-66	-43.5	179	-68.7	-41.9	0	0	0	111.6	S170 A176 N177 Q178	S170-D174 WeakPolarHBondContact O-CB 3.38Å; S170-D174 VanDerWaalsContact O-CG 3.28Å; S170-D174 PolarHBondContact O-N 2.86Å; S170-D174 VanDerWaalsContact O-OD2 3.04Å; S170-D174 PolarHBondContact OG-OD2 3.14Å; D174-A176 VanDerWaalsContact C-N 3.35Å; D174-A176 PolarHBondContact O-N 3.31Å; D174-N177 PolarHBondContact O-N 2.89Å; D174-Q178 WeakPolarHBondContact O-CG 3.46Å; D174-Q178 PolarHBondContact O-N 3.24Å
175	I	92.4	Very high	78.9	Confident	43 Å²	43	83.1 Å²	83.1	22%	0.221	44%	0.437	C	S	.	.	H	α-helix	trans	-61.4	-43.1	173.4	-70.2	166.4	0	0	0	110.8	V171 Q178 R179	V171-I175 HydrophobicContact CG1-CD1 3.83Å; V171-I175 WeakPolarHBondContact O-CB 3.14Å; V171-I175 WeakPolarHBondContact O-CD1 3.33Å; V171-I175 VanDerWaalsContact O-CG1 3.23Å; V171-I175 WeakPolarHBondContact O-CG1 3.48Å; V171-I175 PolarHBondContact O-N 3.35Å; I175-Q178 PolarHBondContact O-N 3.25Å; I175-R179 WeakPolarHBondContact O-CB 3.43Å; I175-R179 WeakPolarHBondContact O-CG 3.49Å; I175-R179 PolarHBondContact O-N 2.84Å
176	A	91.7	Very high	76	Confident	1 Å²	1	86.1 Å²	86.1	1%	0.008	46%	0.461	C	S	.	.	H	α-helix	trans	-64	-41.8	175.9	0	0	0	0	0	112.8	R129 Y131 F172 E173 D174 Q178 R179 I180	R129-A176 HydrophobicContact CB-CB 3.88Å; R129-A176 VanDerWaalsContact O-CB 3.31Å; R129-A176 WeakPolarHBondContact O-CB 3.37Å; Y131-A176 HydrophobicContact CD1-CB 3.99Å; Y131-A176 HydrophobicContact CE1-CB 3.85Å; F172-A176 VanDerWaalsContact O-CB 3.26Å; F172-A176 WeakPolarHBondContact O-CB 3.26Å; F172-A176 PolarHBondContact O-N 3.02Å; E173-A176 PolarHBondContact O-N 3.42Å; D174-A176 VanDerWaalsContact C-N 3.35Å; D174-A176 PolarHBondContact O-N 3.31Å; A176-Q178 VanDerWaalsContact C-N 3.27Å; A176-Q178 PolarHBondContact O-N 2.88Å; A176-R179 PolarHBondContact O-N 2.95Å; A176-R179 VanDerWaalsContact O-N 3.16Å; A176-I180 WeakPolarHBondContact O-CG1 3.39Å; A176-I180 PolarHBondContact O-N 3.46Å
177	N	90.3	Very high	73.3	Confident	84 Å²	84	81.2 Å²	81.2	45%	0.449	46%	0.457	S	S	.	.	H	α-helix	trans	-65.4	-30.5	179.2	-67.7	-19.1	0	0	0	112.1	R129 E173 D174	R129-N177 PolarHBondContact NH2-OD1 3.06Å; E173-N177 WeakPolarHBondContact O-CB 3.26Å; E173-N177 PolarHBondContact O-N 2.99Å; E173-N177 PolarHBondContact O-ND2 2.92Å; E173-N177 VanDerWaalsContact O-ND2 3.14Å; E173-N177 PolarHBondContact O-OD1 2.83Å; D174-N177 PolarHBondContact O-N 2.89Å
178	Q	87.5	Confident	71.2	Confident	163 Å²	163	79.1 Å²	79.1	76%	0.762	46%	0.46	S	S	*	.	H	α-helix	trans	-76.6	-33.5	171.7	-67.8	172.1	39.4	0	0	113	D174 I175 A176	D174-Q178 WeakPolarHBondContact O-CG 3.46Å; D174-Q178 PolarHBondContact O-N 3.24Å; I175-Q178 PolarHBondContact O-N 3.25Å; A176-Q178 VanDerWaalsContact C-N 3.27Å; A176-Q178 PolarHBondContact O-N 2.88Å
179	R	77.6	Confident	68.3	Low	85 Å²	85	86.9 Å²	86.9	32%	0.321	49%	0.492	S	S	.	.	H	α-helix	trans	-75	-33.7	-179.2	-81.3	171.8	158.8	-102.4	-8.8	113.9	N92 F93 E157 I175 A176 P181	N92-R179 PolarHBondContact ND2-NH2 2.81Å; N92-R179 VanDerWaalsContact OD1-CZ 3.3Å; N92-R179 PolarHBondContact OD1-NE 2.84Å; N92-R179 VanDerWaalsContact OD1-NE 3.15Å; N92-R179 PolarHBondContact OD1-NH2 2.94Å; F93-R179 PolarHBondContact O-NH1 3.45Å; E157-R179 IonicContact OE1-NH1 2.69Å; E157-R179 IonicContact OE2-CZ 3.17Å; E157-R179 IonicContact OE2-NH1 3.34Å; E157-R179 PolarHBondContact OE2-NH1 2.97Å; E157-R179 IonicContact OE2-NH2 2.71Å; E157-R179 PolarHBondContact OE2-NH2 3.18Å; I175-R179 WeakPolarHBondContact O-CB 3.43Å; I175-R179 WeakPolarHBondContact O-CG 3.49Å; I175-R179 PolarHBondContact O-N 2.84Å; A176-R179 PolarHBondContact O-N 2.95Å; A176-R179 VanDerWaalsContact O-N 3.16Å; R179-P181 VanDerWaalsContact O-CD 3.25Å; R179-P181 WeakPolarHBondContact O-CD 3.42Å
180	I	64.4	Low	65.8	Low	70 Å²	70	91.7 Å²	91.7	36%	0.359	52%	0.518	S	S	.	.	S	Bend	trans	-67.1	120.5	173.9	-65.9	164.1	0	0	0	108	R129 A176 V182	R129-I180 HydrophobicContact CG-CD1 4.43Å; A176-I180 WeakPolarHBondContact O-CG1 3.39Å; A176-I180 PolarHBondContact O-N 3.46Å; I180-V182 PolarHBondContact O-N 3.19Å
181	P	47.2	Very low	63.1	Low	119 Å²	119	96.7 Å²	96.7	77%	0.773	54%	0.54	S	S	*	.			trans	-68.7	96.1	174.6	-17.4	32.5	0	0	0	109.6	R179 R183	R179-P181 VanDerWaalsContact O-CD 3.25Å; R179-P181 WeakPolarHBondContact O-CD 3.42Å; P181-R183 PolarHBondContact O-N 2.93Å; P181-R183 VanDerWaalsContact O-N 3.14Å
182	V	44.5	Very low	60.3	Low	102 Å²	102	102 Å²	102	62%	0.618	57%	0.566	S	S	*	*			trans	-49.7	123.2	159.5	179.8	0	0	0	0	106.1	I180 A184	I180-V182 PolarHBondContact O-N 3.19Å; V182-A184 CarbonylContact O-C 3.59Å; V182-A184 WeakPolarHBondContact O-CA 3.42Å; V182-A184 PolarHBondContact O-N 3.48Å
183	R	37.3	Very low	57.5	Low	249 Å²	249	109.3 Å²	109.3	94%	0.94	61%	0.605	S	S	*	*	S	Bend	trans	-70.5	82	-163.4	-160	176.5	-167.3	173.2	3.9	110.7	P181	P181-R183 PolarHBondContact O-N 2.93Å; P181-R183 VanDerWaalsContact O-N 3.14Å
184	A	39.4	Very low	54.6	Low	66 Å²	66	110.1 Å²	110.1	55%	0.545	62%	0.624	S	S	.	*	S	Bend	trans	61.4	128.5	-153.8	0	0	0	0	0	112.9	V182	V182-A184 CarbonylContact O-C 3.59Å; V182-A184 WeakPolarHBondContact O-CA 3.42Å; V182-A184 PolarHBondContact O-N 3.48Å
185	G	38.2	Very low	51.7	Low	42 Å²	42	114.1 Å²	114.1	43%	0.433	64%	0.64	S	S	.	*			trans	168.4	-17.8	171.9	0	0	0	0	0	122.6
186	S	34.7	Very low	48.9	Very low	125 Å²	125	120.1 Å²	120.1	87%	0.874	67%	0.665	S	S	*	*			trans	-153	123.9	170.5	-165	0	0	0	0	112.6
187	G	34.2	Very low	46	Very low	72 Å²	72	126.3 Å²	126.3	74%	0.742	70%	0.703	S	S	*	*			trans	-106.7	109.6	172.9	0	0	0	0	0	109.6	K189	G187-K189 PolarHBondContact O-N 2.95Å
188	S	49.7	Very low	43.5	Very low	112 Å²	112	127.8 Å²	127.8	78%	0.783	72%	0.717	S	S	*	*			trans	-64.2	125.2	166.2	179.7	0	0	0	0	109.6
189	K	35.9	Very low	40.6	Very low	187 Å²	187	126.1 Å²	126.1	81%	0.813	72%	0.718	S	S	*	*			trans	-151.1	115.1	160.6	-73.8	-156.1	175	-165.6	0	110.3	G187	G187-K189 PolarHBondContact O-N 2.95Å
190	D	41.1	Very low	38.3	Very low	151 Å²	151	126.2 Å²	126.2	81%	0.807	74%	0.737	S	S	*	*			trans	-56.6	139.6	146.6	-61.3	-72.7	0	0	0	109.6
191	L	38.8	Very low	36.5	Very low	164 Å²	164	131 Å²	131	86%	0.859	76%	0.762	S	S	*	*			trans	-151.8	99.4	150.1	-84.9	-168.6	0	0	0	109.2
192	D	38.2	Very low	35.6	Very low	156 Å²	156	130.2 Å²	130.2	83%	0.834	76%	0.76	S	S	*	*			trans	-89.5	107.6	159.3	179.7	7.6	0	0	0	108.3
193	L	36.6	Very low	34.8	Very low	156 Å²	156	129.9 Å²	129.9	82%	0.817	76%	0.762	S	S	*	*			trans	-168.1	149.9	158.2	-139	73.3	0	0	0	115.3
194	A	33.8	Very low	34.6	Very low	90 Å²	90	126.3 Å²	126.3	74%	0.744	76%	0.756	S	S	*	*			trans	66.6	89.4	146.2	0	0	0	0	0	119.6
195	E	32.8	Very low	33.9	Very low	159 Å²	159	129.4 Å²	129.4	74%	0.743	76%	0.763	S	S	*	*			trans	-94.1	154.6	148.1	-136.7	-81	87.6	0	0	109
196	K	33.5	Very low	33.5	Very low	169 Å²	169	133.1 Å²	133.1	74%	0.735	78%	0.783	S	S	*	*			trans	72.3	113.6	170.7	-52.3	-174.9	-177.7	174.9	0	120.7
197	T	31.6	Very low	33.2	Very low	132 Å²	132	132.6 Å²	132.6	81%	0.81	78%	0.779	S	S	*	*			trans	-79.1	163.5	142.4	56.1	0	0	0	0	110
198	P	36.7	Very low	33.1	Very low	114 Å²	114	132.7 Å²	132.7	74%	0.74	77%	0.773	S	S	*	*				-153.4	145.5	93.9	38.2	-19.2	0	0	0	118.1
199	T	26.8	Very low	32.3	Very low	129 Å²	129	135.2 Å²	135.2	79%	0.791	78%	0.777	S	S	*	*				46.6	97	127.2	-43.4	0	0	0	0	123
200	A	28.6	Very low	32.3	Very low	87 Å²	87	132.1 Å²	132.1	72%	0.719	78%	0.776	S	S	*	*				76.3	147	123.2	0	0	0	0	0	126
201	L	27.6	Very low	32	Very low	169 Å²	169	129.4 Å²	129.4	89%	0.885	77%	0.774	S	S	*	*			trans	95.2	136.3	144.3	-125.8	103.3	0	0	0	122.3
202	S	27.1	Very low	32.9	Very low	103 Å²	103	126.8 Å²	126.8	72%	0.72	77%	0.767	S	S	*	*			trans	66.3	151	168.2	-133.7	0	0	0	0	117.3
203	S	28.6	Very low	33.3	Very low	95 Å²	95	125 Å²	125	66%	0.664	76%	0.764	S	S	*	*			cis	-138.8	155.5	7.4	-69	0	0	0	0	109.6
204	Q	32.1	Very low	33.2	Very low	175 Å²	175	122.4 Å²	122.4	82%	0.818	75%	0.754	S	S	*	*				41.7	137.4	84	-92.8	-172.7	-27.5	0	0	115.3
205	D	24.6	Very low	33.1	Very low	130 Å²	130	125.1 Å²	125.1	70%	0.695	76%	0.762	S	S	*	*			cis	-164.3	157.5	-2.9	-172.3	11.4	0	0	0	109.9
206	S	31.3	Very low	33.3	Very low	121 Å²	121	125.6 Å²	125.6	85%	0.846	76%	0.761	S	S	*	*			trans	175.5	128.5	148.9	-81.3	0	0	0	0	112.9
207	S	28.1	Very low	33.7	Very low	114 Å²	114	122.8 Å²	122.8	80%	0.797	76%	0.761	S	S	*	*			trans	-110	-177.4	174.9	59.8	0	0	0	0	110.5
208	A	31.3	Very low	33.6	Very low	73 Å²	73	121.5 Å²	121.5	60%	0.603	76%	0.757	S	S	*	*			cis	-163	146.6	12.3	0	0	0	0	0	113.1
209	L	32.8	Very low	33.6	Very low	166 Å²	166	124.5 Å²	124.5	87%	0.869	76%	0.761	S	S	*	*			trans	56.7	171.1	137.1	-61.7	173.6	0	0	0	121.6
210	P	36.1	Very low	34.3	Very low	122 Å²	122	123.7 Å²	123.7	79%	0.792	76%	0.758	S	S	*	*			cis	-127.4	-174.5	-18.8	27.2	-4	0	0	0	115
211	A	34.9	Very low	34.6	Very low	93 Å²	93	129.3 Å²	129.3	77%	0.769	77%	0.766	S	S	*	*			trans	-156.1	-172.8	172.1	0	0	0	0	0	109.3
212	P	58.3	Low	34.6	Very low	109 Å²	109	124.5 Å²	124.5	71%	0.708	76%	0.757	S	S	*	*			cis	-104.7	-125.9	-16.3	40.3	-23.9	0	0	0	109.8
213	P	45.8	Very low	34.9	Very low	119 Å²	119	127.1 Å²	127.1	77%	0.773	76%	0.763	S	S	*	*			cis	-97.2	178.9	0.9	18.5	3.5	0	0	0	113.4
214	T	34.6	Very low	35	Very low	101 Å²	101	131.3 Å²	131.3	62%	0.62	78%	0.775	S	S	*	*			cis	101	102.2	8	-49.2	0	0	0	0	117.7	F216	T214-F216 HydrophobicContact CG2-CD2 4.23Å; T214-F216 HydrophobicContact CG2-CE2 4.43Å
215	V	32	Very low	35.5	Very low	148 Å²	148	131.7 Å²	131.7	90%	0.897	77%	0.774	S	S	*	*			trans	-139.3	131.1	157.2	177.6	0	0	0	0	109.3
216	F	36.1	Very low	36.4	Very low	168 Å²	168	131.3 Å²	131.3	74%	0.737	78%	0.779	S	S	*	*			trans	-106.5	171.9	177.1	-94.6	-79.8	0	0	0	109.5	T214	T214-F216 HydrophobicContact CG2-CD2 4.23Å; T214-F216 HydrophobicContact CG2-CE2 4.43Å
217	P	43.3	Very low	36.9	Very low	111 Å²	111	130 Å²	130	72%	0.721	77%	0.77	S	S	*	*			cis	-148.6	-166.3	35.7	44.5	-22.6	0	0	0	118.2
218	S	28.5	Very low	38.6	Very low	105 Å²	105	129.7 Å²	129.7	73%	0.734	77%	0.765	S	S	*	*			trans	82	122.9	158.2	63.4	0	0	0	0	121.8
219	H	37.9	Very low	39.3	Very low	176 Å²	176	132.2 Å²	132.2	82%	0.815	78%	0.775	S	S	*	*			trans	-111.8	161.6	153	-43.5	-60.6	0	0	0	106.6
220	P	41.7	Very low	39.8	Very low	112 Å²	112	129.1 Å²	129.1	73%	0.727	77%	0.767	S	S	*	*				-152.7	-171.4	67.6	43.2	-22.5	0	0	0	116.2
221	F	33	Very low	39.8	Very low	206 Å²	206	132.9 Å²	132.9	90%	0.904	77%	0.771	S	S	*	*			trans	14.9	126.3	160.8	-60.1	-67.4	0	0	0	121.8
222	G	29.3	Very low	39.8	Very low	67 Å²	67	136.4 Å²	136.4	69%	0.691	78%	0.776	S	S	*	*				96	137.9	107	0	0	0	0	0	120.1
223	N	33.3	Very low	38.5	Very low	159 Å²	159	134.7 Å²	134.7	85%	0.85	78%	0.778	S	S	*	*			trans	53.9	117.7	154.7	-61.4	1.8	0	0	0	120.4
224	M	30.7	Very low	38.2	Very low	183 Å²	183	137.7 Å²	137.7	90%	0.901	78%	0.782	S	S	*	*			trans	-148.7	102.1	139.4	-157.8	74.6	72.9	0	0	111.1
225	F	41.2	Very low	39.1	Very low	182 Å²	182	139.3 Å²	139.3	80%	0.798	79%	0.794	S	S	*	*			trans	-87.9	156.2	155.7	-113.6	-87	0	0	0	107.3
226	P	44.8	Very low	40.1	Very low	123 Å²	123	136.8 Å²	136.8	80%	0.799	78%	0.781	S	S	*	*				-150.1	161.9	100.5	37.8	-21	0	0	0	116.6
227	S	41.3	Very low	40.8	Very low	94 Å²	94	133.8 Å²	133.8	66%	0.657	78%	0.778	S	S	*	*			trans	-150	169.1	159	61.3	0	0	0	0	107.2
228	P	64.6	Low	40.4	Very low	107 Å²	107	135 Å²	135	70%	0.695	78%	0.778	S	S	*	*			cis	-114.6	-146.8	-4.3	30.8	-8.5	0	0	0	110.6
229	P	45.4	Very low	41.3	Very low	126 Å²	126	137.8 Å²	137.8	82%	0.818	78%	0.777	S	S	*	*				-138.2	158.7	82	39.1	-26.3	0	0	0	115
230	S	43.7	Very low	41.6	Very low	100 Å²	100	134.2 Å²	134.2	70%	0.699	77%	0.77	S	S	*	*			trans	-115.2	145.3	166.2	-51.9	0	0	0	0	109
231	F	36.2	Very low	41.4	Very low	201 Å²	201	136.3 Å²	136.3	88%	0.882	77%	0.769	S	S	*	*			trans	-172.2	148.2	142.3	-106	-62.2	0	0	0	113.1
232	L	33.6	Very low	41.5	Very low	168 Å²	168	133.9 Å²	133.9	88%	0.88	76%	0.763	S	S	*	*			trans	58.6	118	160.3	-62.1	169.7	0	0	0	119
233	G	31.3	Very low	42	Very low	72 Å²	72	134 Å²	134	74%	0.742	76%	0.757	S	S	*	*			trans	143.4	89	156.1	0	0	0	0	0	116.9
234	Q	40.1	Very low	43.5	Very low	182 Å²	182	132.3 Å²	132.3	85%	0.85	76%	0.755	S	S	*	*			trans	38.7	120.3	143.8	-66	178.9	-34.3	0	0	121.4
235	P	53.8	Low	44.4	Very low	136 Å²	136	129.1 Å²	129.1	88%	0.883	75%	0.748	S	S	*	*			trans	-115.9	97.6	154.9	35.5	-24.1	0	0	0	113.5
236	P	51.5	Low	44.6	Very low	95 Å²	95	127 Å²	127	62%	0.617	75%	0.749	S	S	*	*			trans	-139.5	176.2	156.5	41.1	-29.2	0	0	0	112.9
237	P	50.6	Low	45.4	Very low	104 Å²	104	126.6 Å²	126.6	68%	0.675	75%	0.747	S	S	*	*			cis	-105.4	163.2	-18.4	8.8	16.1	0	0	0	110.7
238	L	35.1	Very low	45.8	Very low	137 Å²	137	127.5 Å²	127.5	72%	0.717	75%	0.75	S	S	*	*				54.4	133.5	68.4	-53.4	162.5	0	0	0	111.8
239	F	47.2	Very low	44.3	Very low	163 Å²	163	130.4 Å²	130.4	72%	0.715	76%	0.759	S	S	*	*			cis	-160.6	177.7	38.4	-82.4	-77.9	0	0	0	111.3
240	P	46.1	Very low	44	Very low	102 Å²	102	132.4 Å²	132.4	66%	0.662	76%	0.76	S	S	*	*			cis	-127.5	138.3	-20	26	-6.5	0	0	0	113.6
241	H	35.8	Very low	44.7	Very low	155 Å²	155	132.4 Å²	132.4	72%	0.718	76%	0.757	S	S	*	*			trans	-91	136.5	142	173.6	-86.3	0	0	0	107.5
242	M	36.3	Very low	45.2	Very low	156 Å²	156	128.1 Å²	128.1	77%	0.768	75%	0.75	S	S	*	*			trans	-107.6	125.5	167	-84.8	-70.1	111.9	0	0	109.4
243	A	39.7	Very low	45.3	Very low	70 Å²	70	127.6 Å²	127.6	58%	0.579	74%	0.742	S	S	*	*			trans	-102.6	157.9	-174.7	0	0	0	0	0	111.5
244	P	64.3	Low	45.6	Very low	122 Å²	122	133 Å²	133	79%	0.792	75%	0.75	S	S	*	*			trans	-82.7	167.5	177.7	35.7	-37.2	0	0	0	112.6
245	P	49.3	Very low	45.3	Very low	116 Å²	116	132.5 Å²	132.5	75%	0.753	75%	0.746	S	S	*	*			trans	-132.8	127	142.7	28.3	-11.5	0	0	0	114.2
246	V	47	Very low	45.2	Very low	137 Å²	137	131.1 Å²	131.1	83%	0.83	74%	0.737	S	S	*	*			trans	16.2	150.4	149.6	-82.7	0	0	0	0	123.8
247	P	61.3	Low	45.2	Very low	116 Å²	116	132 Å²	132	75%	0.753	74%	0.743	S	S	*	*			trans	-91.2	175.5	-175	40.3	-39	0	0	0	114.4
248	P	48.4	Very low	44.8	Very low	112 Å²	112	135.2 Å²	135.2	73%	0.727	75%	0.748	S	S	*	*			trans	-147.6	170.3	131.2	37	-20.4	0	0	0	117.1
249	L	34.3	Very low	45.5	Very low	168 Å²	168	134.4 Å²	134.4	88%	0.88	75%	0.751	S	S	*	*			trans	82.3	132.3	153.6	-72.9	152.5	0	0	0	122.8
250	M	37.8	Very low	44.9	Very low	168 Å²	168	130.8 Å²	130.8	83%	0.828	75%	0.752	S	S	*	*			trans	-106.4	-175.7	148.4	-55.3	-175.3	73.6	0	0	107.8
251	P	58.3	Low	44.3	Very low	100 Å²	100	134.8 Å²	134.8	65%	0.649	76%	0.762	S	S	*	*			cis	-119.1	-159.1	-10.7	43.3	-25.8	0	0	0	110.5
252	P	48.5	Very low	44.5	Very low	111 Å²	111	135.4 Å²	135.4	72%	0.721	77%	0.768	S	S	*	*				-143.7	168.9	65.3	33.2	-10	0	0	0	117.5
253	H	35.7	Very low	44.5	Very low	158 Å²	158	134.1 Å²	134.1	73%	0.731	77%	0.771	S	S	*	*			trans	-65.3	147	172.5	32.2	-96.6	0	0	0	115.4
254	M	36.3	Very low	44.2	Very low	184 Å²	184	134 Å²	134	91%	0.906	78%	0.778	S	S	*	*			trans	-151.6	128.2	143.1	-77.8	-144.9	77.9	0	0	112.5
255	F	34	Very low	43.1	Very low	173 Å²	173	137.1 Å²	137.1	76%	0.759	78%	0.782	S	S	*	*			trans	-101.2	-175.3	161.4	-104.2	-99.6	0	0	0	107.6
256	P	51.1	Low	42.4	Very low	107 Å²	107	136.9 Å²	136.9	70%	0.695	78%	0.78	S	S	*	*			cis	-130.7	-149.8	-2	44.2	-25.1	0	0	0	111.1
257	P	52.6	Low	41.8	Very low	114 Å²	114	135.5 Å²	135.5	74%	0.74	78%	0.776	S	S	*	*			cis	-126.6	170.3	-21	26.5	-4.6	0	0	0	115.7
258	H	41.1	Very low	40.6	Very low	170 Å²	170	136.4 Å²	136.4	79%	0.787	78%	0.782	S	S	*	*			trans	-104.1	165.9	161.9	-57	-94.1	0	0	0	111.4
259	P	50.9	Low	40.1	Very low	120 Å²	120	134.5 Å²	134.5	78%	0.779	78%	0.783	S	S	*	*			trans	-108.6	149.4	156.2	36.4	-28.4	0	0	0	113.8
260	A	35.1	Very low	40.3	Very low	88 Å²	88	135 Å²	135	73%	0.727	79%	0.786	S	S	*	*			trans	45.2	105.3	156.3	0	0	0	0	0	119.6
261	Q	33.1	Very low	40.3	Very low	186 Å²	186	134.9 Å²	134.9	87%	0.869	78%	0.783	S	S	*	*				83.7	115.5	75	-81.5	-178.3	0.8	0	0	115.9
262	I	39.2	Very low	39.4	Very low	167 Å²	167	137.8 Å²	137.8	86%	0.856	79%	0.792	S	S	*	*				-177.3	139.3	126.7	-93.3	155.6	0	0	0	108
263	P	35.7	Very low	38.8	Very low	129 Å²	129	139.1 Å²	139.1	84%	0.838	79%	0.793	S	S	*	*			trans	-104.5	134.6	-173	36.1	-30.2	0	0	0	114.8
264	G	34.3	Very low	39.3	Very low	69 Å²	69	136.3 Å²	136.3	71%	0.711	79%	0.789	S	S	*	*			trans	168.1	141.2	165.3	0	0	0	0	0	115.1
265	Q	40.7	Very low	39.9	Very low	187 Å²	187	132.2 Å²	132.2	87%	0.874	78%	0.776	S	S	*	*			trans	62.8	125.4	171.1	-69.1	-76.7	-60.7	0	0	118.2
266	P	35.5	Very low	39.9	Very low	110 Å²	110	132.8 Å²	132.8	71%	0.714	78%	0.779	S	S	*	*			trans	-95.2	132	171.6	34.8	-30.7	0	0	0	114.2
267	S	33.8	Very low	39.3	Very low	108 Å²	108	137.3 Å²	137.3	76%	0.755	79%	0.788	S	S	*	*			trans	51.6	102.7	142.6	-52.9	0	0	0	0	121
268	P	37.4	Very low	38.4	Very low	135 Å²	135	139.8 Å²	139.8	88%	0.877	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-72.1	131.8	151.5	31.4	-31.8	0	0	0	110.5
269	G	37.5	Very low	38	Very low	73 Å²	73	139.2 Å²	139.2	75%	0.753	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-81.7	163.6	-173.9	0	0	0	0	0	115.5
270	L	37	Very low	37.1	Very low	178 Å²	178	139.2 Å²	139.2	93%	0.932	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-68.8	129.7	173.5	-65.1	169.6	0	0	0	110.9
271	H	39.6	Very low	37.1	Very low	166 Å²	166	142.5 Å²	142.5	77%	0.769	80%	0.795	S	S	*	*			trans	-103.1	107.2	-176.5	174.9	-88.6	0	0	0	112
272	L	39.3	Very low	37	Very low	161 Å²	161	140.4 Å²	140.4	84%	0.843	79%	0.789	S	S	*	*			trans	-123.4	165.1	163.2	-86.2	89.3	0	0	0	110.4
273	N	35.9	Very low	36.6	Very low	139 Å²	139	135.4 Å²	135.4	74%	0.743	78%	0.779	S	S	*	*			trans	-99.8	-163.1	-151.9	-153.3	16.6	0	0	0	113.2
274	P	46.1	Very low	36.6	Very low	98 Å²	98	138.5 Å²	138.5	64%	0.636	78%	0.782	S	S	*	*				-116.6	-155.4	-117.5	43.1	-25	0	0	0	112.4
275	P	47.8	Very low	36.5	Very low	98 Å²	98	140.3 Å²	140.3	64%	0.636	78%	0.784	S	S	*	*			cis	-116.7	-156.6	-43.1	23.2	-0.9	0	0	0	110.8
276	F	34.8	Very low	36.2	Very low	186 Å²	186	136.4 Å²	136.4	82%	0.816	78%	0.777	S	S	*	*			trans	78.2	99.2	169.6	-56.4	-74.3	0	0	0	118.2
277	F	37.9	Very low	36.4	Very low	201 Å²	201	139.2 Å²	139.2	88%	0.882	79%	0.786	S	S	*	*				-156	123.6	122.3	-107.2	-71.1	0	0	0	109.9
278	N	34.8	Very low	36.1	Very low	166 Å²	166	139.5 Å²	139.5	89%	0.888	79%	0.788	S	S	*	*			trans	-114.1	132	163.9	-93.6	-9.3	0	0	0	108
279	L	32	Very low	36.3	Very low	159 Å²	159	144.4 Å²	144.4	83%	0.832	79%	0.791	S	S	*	*			trans	-161.8	123.3	178.3	-165.1	77.2	0	0	0	104.2
280	T	31.4	Very low	36.2	Very low	120 Å²	120	152.6 Å²	152.6	74%	0.736	80%	0.799	S	S	*	*			cis	-125.8	-176	27.8	45.5	0	0	0	0	110.6
281	Q	35.5	Very low	36.1	Very low	157 Å²	157	152.7 Å²	152.7	73%	0.734	80%	0.795	S	S	*	*			cis	-157	162.2	40.4	-116.6	175.9	-91.9	0	0	111.4
282	D	30.8	Very low	36.4	Very low	141 Å²	141	153.1 Å²	153.1	75%	0.754	80%	0.797	S	S	*	*			trans	39.1	133.7	152.5	-43	-28.6	0	0	0	120.1
283	G	31.5	Very low	36.3	Very low	62 Å²	62	153.7 Å²	153.7	64%	0.639	79%	0.793	S	S	*	*			cis	165.9	172.6	3.9	0	0	0	0	0	109.9
284	H	35.4	Very low	36.6	Very low	194 Å²	194	155.6 Å²	155.6	90%	0.898	80%	0.797	S	S	*	*			trans	73.6	101.9	174.7	-56.4	-82.6	0	0	0	120.2
285	S	31.5	Very low	36.4	Very low	108 Å²	108	155.5 Å²	155.5	76%	0.755	80%	0.795	S	S	*	*				106.3	134.4	116.2	-161.5	0	0	0	0	121.4
286	S	33.9	Very low	36.1	Very low	105 Å²	105	154.3 Å²	154.3	73%	0.734	79%	0.789	S	S	*	*			trans	64.8	103.1	150.7	41.3	0	0	0	0	119.8
287	N	39.6	Very low	36.8	Very low	169 Å²	169	154 Å²	154	90%	0.904	79%	0.79	S	S	*	*			trans	-53.9	137.8	156.4	-79.3	-31.6	0	0	0	111.9
288	S	28.2	Very low	37.4	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	78%	0.778	S	S	*	*			trans	-141.5	142.4	142.9	54.8	0	0	0	0	109.4	R290	S288-R290 PolarHBondContact O-N 3.07Å
289	Y	41.5	Very low	38.4	Very low	238 Å²	238	147.1 Å²	147.1	93%	0.933	77%	0.765	S	S	*	*			trans	-64.4	127.5	-170.6	-77.6	-112.1	0	0	0	111.4
290	R	35.9	Very low	40	Very low	245 Å²	245	145 Å²	145	93%	0.925	76%	0.755	S	S	*	*			trans	-135.3	85.3	158	-160.5	167.6	-172.8	173.1	1.2	111.9	S288	S288-R290 PolarHBondContact O-N 3.07Å
291	E	35.7	Very low	42	Very low	181 Å²	181	141.5 Å²	141.5	85%	0.846	74%	0.743	S	S	*	*			trans	-9.6	139.5	157.7	-155.9	172.9	138.7	0	0	117.7	K293	E291-K293 PolarHBondContact O-N 3.23Å; E291-K293 VanDerWaalsContact O-N 3.15Å
292	Q	44.9	Very low	44.2	Very low	175 Å²	175	139.4 Å²	139.4	82%	0.818	74%	0.736	S	S	*	*			trans	-55.3	115.2	177.9	-74.2	168.7	-93.5	0	0	112.4
293	K	37.8	Very low	46.7	Very low	173 Å²	173	136.8 Å²	136.8	75%	0.752	72%	0.718	S	S	*	*			trans	-131.9	76.1	156.7	-164.8	177.6	179.1	-175.9	0	110.9	E291 T295	E291-K293 PolarHBondContact O-N 3.23Å; E291-K293 VanDerWaalsContact O-N 3.15Å; K293-T295 PolarHBondContact O-N 3.38Å
294	Q	41.9	Very low	49.4	Very low	179 Å²	179	139.4 Å²	139.4	84%	0.836	71%	0.714	S	S	*	*			trans	-76.5	73.6	171.2	-73.9	-179.8	-49.9	0	0	110.9
295	T	42	Very low	52	Low	96 Å²	96	135.3 Å²	135.3	59%	0.589	70%	0.695	S	S	*	*			trans	-142.3	156.8	160.6	42.6	0	0	0	0	109.8	K293	K293-T295 PolarHBondContact O-N 3.38Å
296	S	42.1	Very low	54.7	Low	73 Å²	73	133 Å²	133	51%	0.51	67%	0.673	S	S	.	*			trans	51.6	84.9	176.8	56.3	0	0	0	0	116.2
297	Q	48.1	Very low	57.3	Low	180 Å²	180	128.3 Å²	128.3	84%	0.841	64%	0.64	S	S	*	*	S	Bend	trans	-134.4	-21.5	155.5	-90.5	-163.3	-46.9	0	0	113.4
298	S	51.3	Low	59.8	Low	89 Å²	89	124.1 Å²	124.1	62%	0.622	62%	0.617	S	S	*	*	H	α-helix	trans	-70.8	-36.1	173.1	49.1	0	0	0	0	112.8	D300 G301 D302	S298-D300 PolarHBondContact O-N 3Å; S298-G301 PolarHBondContact O-N 2.92Å; S298-D302 PolarHBondContact O-N 3.38Å; S298-D302 VanDerWaalsContact O-N 3.12Å
299	E	56.1	Low	62.8	Low	132 Å²	132	124.2 Å²	124.2	62%	0.617	60%	0.6	S	S	*	*	H	α-helix	trans	-66.2	-33.9	-173.9	-61.8	-176.2	116	0	0	113	F303	E299-F303 WeakPolarHBondContact O-CB 3.27Å; E299-F303 PolarHBondContact O-N 2.84Å
300	D	65.4	Low	65.2	Low	116 Å²	116	113 Å²	113	62%	0.62	56%	0.557	S	S	*	*	H	α-helix	trans	-70.2	-35.4	176.2	-73.4	-33.3	0	0	0	112.1	S298 F303 E304	S298-D300 PolarHBondContact O-N 3Å; D300-F303 PolarHBondContact O-N 3.22Å; D300-E304 PolarHBondContact O-N 2.88Å
301	G	73.4	Confident	68	Low	46 Å²	46	106 Å²	106	47%	0.474	53%	0.53	S	S	.	.	H	α-helix	trans	-66.8	-47.8	175.3	0	0	0	0	0	112.1	S298 F303 E304 E305	S298-G301 PolarHBondContact O-N 2.92Å; G301-F303 VanDerWaalsContact C-N 3.26Å; G301-F303 PolarHBondContact O-N 3.31Å; G301-E304 PolarHBondContact O-N 3.44Å; G301-E305 PolarHBondContact O-N 2.91Å
302	D	81.1	Confident	70.7	Confident	113 Å²	113	100 Å²	100	60%	0.604	51%	0.512	S	S	*	.	H	α-helix	trans	-59.5	-38.7	173.4	-75	-9.7	0	0	0	111.4	S298 M306	S298-D302 PolarHBondContact O-N 3.38Å; S298-D302 VanDerWaalsContact O-N 3.12Å; D302-M306 WeakPolarHBondContact O-CB 3.49Å; D302-M306 PolarHBondContact O-N 2.88Å
303	F	84.5	Confident	73	Confident	86 Å²	86	93.8 Å²	93.8	38%	0.377	48%	0.484	S	S	.	.	H	α-helix	trans	-66.2	-44.5	177.1	178.6	-80.9	0	0	0	112.3	E299 D300 G301 M306 M307 V349 D352	E299-F303 WeakPolarHBondContact O-CB 3.27Å; E299-F303 PolarHBondContact O-N 2.84Å; D300-F303 PolarHBondContact O-N 3.22Å; G301-F303 VanDerWaalsContact C-N 3.26Å; G301-F303 PolarHBondContact O-N 3.31Å; F303-M306 PolarHBondContact O-N 3.46Å; F303-M307 HydrophobicContact CD1-CG 4.41Å; F303-M307 HydrophobicContact CE1-CG 4.13Å; F303-M307 PolarHBondContact O-N 2.74Å; F303-V349 HydrophobicContact CD2-CB 4.4Å; F303-V349 HydrophobicContact CD2-CG1 3.96Å; F303-V349 HydrophobicContact CD2-CG2 3.7Å; F303-V349 HydrophobicContact CE1-CG1 4.04Å; F303-V349 HydrophobicContact CE2-CB 4.16Å; F303-V349 HydrophobicContact CE2-CG1 3.37Å; F303-V349 HydrophobicContact CE2-CG2 3.98Å; F303-V349 HydrophobicContact CG-CG2 4.15Å; F303-V349 HydrophobicContact CZ-CG1 3.41Å; F303-V349 VanDerWaalsContact CZ-CG1 3.41Å; F303-D352 HydrophobicContact CE2-CB 4.43Å; F303-D352 HydrophobicContact CZ-CB 3.87Å
304	E	87.9	Confident	75.7	Confident	117 Å²	117	85.7 Å²	85.7	55%	0.547	45%	0.449	S	S	.	.	H	α-helix	trans	-69.8	-38.9	177.9	178.3	149.6	-130.7	0	0	112.2	D300 G301 M306 M307 N308 R311	D300-E304 PolarHBondContact O-N 2.88Å; G301-E304 PolarHBondContact O-N 3.44Å; E304-M306 VanDerWaalsContact C-N 3.3Å; E304-M306 PolarHBondContact O-N 2.97Å; E304-M307 PolarHBondContact O-N 3.37Å; E304-N308 PolarHBondContact O-N 2.83Å; E304-N308 PolarHBondContact O-ND2 3.46Å; E304-R311 IonicContact OE1-NH2 3.91Å
305	E	89.4	Confident	78.2	Confident	108 Å²	108	80.2 Å²	80.2	51%	0.505	43%	0.431	S	S	.	.	H	α-helix	trans	-60.6	-43.2	171.9	-161.2	-148	83.5	0	0	110.9	G301 M307 N308 R309	G301-E305 PolarHBondContact O-N 2.91Å; E305-M307 VanDerWaalsContact C-N 3.33Å; E305-M307 PolarHBondContact O-N 3.11Å; E305-N308 PolarHBondContact O-N 3.36Å; E305-R309 WeakPolarHBondContact O-CB 3.38Å; E305-R309 PolarHBondContact O-N 3.04Å; E305-R309 IonicContact OE1-CZ 3.12Å; E305-R309 IonicContact OE1-NH1 2.7Å; E305-R309 PolarHBondContact OE1-NH1 3.34Å; E305-R309 IonicContact OE1-NH2 2.67Å; E305-R309 PolarHBondContact OE1-NH2 2.71Å
306	M	87.9	Confident	80.7	Confident	59 Å²	59	78.4 Å²	78.4	29%	0.291	42%	0.422	S	S	.	.	H	α-helix	trans	-64.1	-35.6	175.6	-160.6	70.5	71.7	0	0	112.4	D302 F303 E304 R309 N310 S347 V349	D302-M306 WeakPolarHBondContact O-CB 3.49Å; D302-M306 PolarHBondContact O-N 2.88Å; F303-M306 PolarHBondContact O-N 3.46Å; E304-M306 VanDerWaalsContact C-N 3.3Å; E304-M306 PolarHBondContact O-N 2.97Å; M306-R309 PolarHBondContact O-N 2.88Å; M306-N310 WeakPolarHBondContact O-CB 3.45Å; M306-N310 PolarHBondContact O-N 3.24Å; M306-N310 PolarHBondContact O-ND2 3.46Å; M306-S347 WeakPolarHBondContact CG-OG 3.22Å; M306-V349 HydrophobicContact CB-CG2 3.84Å; M306-V349 HydrophobicContact CG-CG2 3.84Å
307	M	88.2	Confident	83.2	Confident	6 Å²	6	75.1 Å²	75.1	3%	0.03	40%	0.399	C	S	.	.	H	α-helix	trans	-67.8	-40.6	171.9	-86.9	-60.5	-61.4	0	0	112.7	F303 E304 E305 R309 N310 R311 V349 C355 L358	F303-M307 HydrophobicContact CD1-CG 4.41Å; F303-M307 HydrophobicContact CE1-CG 4.13Å; F303-M307 PolarHBondContact O-N 2.74Å; E304-M307 PolarHBondContact O-N 3.37Å; E305-M307 VanDerWaalsContact C-N 3.33Å; E305-M307 PolarHBondContact O-N 3.11Å; M307-R309 VanDerWaalsContact C-N 3.34Å; M307-N310 PolarHBondContact O-N 3Å; M307-R311 WeakPolarHBondContact O-CB 3.31Å; M307-R311 WeakPolarHBondContact O-CG 3.32Å; M307-R311 PolarHBondContact O-N 2.96Å; M307-V349 HydrophobicContact CG-CB 4.47Å; M307-V349 HydrophobicContact CG-CG1 3.64Å; M307-V349 HydrophobicContact SD-CB 4.29Å; M307-V349 HydrophobicContact SD-CG1 3.48Å; M307-V349 WeakPolarHBondContact SD-CG1 3.39Å; M307-C355 HydrophobicContact SD-CB 3.88Å; M307-L358 HydrophobicContact CE-CD1 4.08Å
308	N	92.1	Very high	85.3	Confident	81 Å²	81	68.7 Å²	68.7	43%	0.433	37%	0.37	S	S	.	.	H	α-helix	trans	-63.8	-40.4	174.1	-76.4	-37.3	0	0	0	111.5	E304 E305 R311 A312	E304-N308 PolarHBondContact O-N 2.83Å; E304-N308 PolarHBondContact O-ND2 3.46Å; E305-N308 PolarHBondContact O-N 3.36Å; N308-R311 PolarHBondContact O-N 3.47Å; N308-R311 PolarHBondContact OD1-NE 3.16Å; N308-R311 VanDerWaalsContact OD1-NE 3.07Å; N308-R311 PolarHBondContact OD1-NH2 3.29Å; N308-A312 WeakPolarHBondContact O-CB 3.28Å; N308-A312 PolarHBondContact O-N 2.85Å
309	R	91.9	Very high	87.3	Confident	115 Å²	115	69.1 Å²	69.1	43%	0.434	37%	0.369	S	S	.	.	H	α-helix	trans	-59.4	-47.4	170.5	-178.3	177.7	-71.4	105.6	4.1	111.9	E305 M306 M307 A312 I313	E305-R309 WeakPolarHBondContact O-CB 3.38Å; E305-R309 PolarHBondContact O-N 3.04Å; E305-R309 IonicContact OE1-CZ 3.12Å; E305-R309 IonicContact OE1-NH1 2.7Å; E305-R309 PolarHBondContact OE1-NH1 3.34Å; E305-R309 IonicContact OE1-NH2 2.67Å; E305-R309 PolarHBondContact OE1-NH2 2.71Å; M306-R309 PolarHBondContact O-N 2.88Å; M307-R309 VanDerWaalsContact C-N 3.34Å; R309-A312 PolarHBondContact O-N 3.34Å; R309-I313 HydrophobicContact CG-CD1 3.9Å; R309-I313 WeakPolarHBondContact O-CD1 3.48Å; R309-I313 VanDerWaalsContact O-CG1 3.27Å; R309-I313 WeakPolarHBondContact O-CG1 3.45Å; R309-I313 PolarHBondContact O-N 3.43Å
310	N	92.4	Very high	89.1	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.016	37%	0.365	C	S	.	.	H	α-helix	trans	-64.3	-39.6	177.4	-69.5	-19.1	0	0	0	112.4	M306 M307 I313 A314 I344 S347 C355	M306-N310 WeakPolarHBondContact O-CB 3.45Å; M306-N310 PolarHBondContact O-N 3.24Å; M306-N310 PolarHBondContact O-ND2 3.46Å; M307-N310 PolarHBondContact O-N 3Å; N310-I313 PolarHBondContact O-N 3.13Å; N310-A314 WeakPolarHBondContact O-CB 3.06Å; N310-A314 PolarHBondContact O-N 3.19Å; N310-I344 HydrophobicContact CB-CG1 4.25Å; N310-I344 HydrophobicContact CB-CG2 4.48Å; N310-S347 WeakPolarHBondContact ND2-CB 3.21Å; N310-S347 PolarHBondContact ND2-OG 2.74Å; N310-C355 PolarHBondContact ND2-SG 2.83Å; N310-C355 VanDerWaalsContact ND2-SG 3.4Å
311	R	93.1	Very high	90.5	Very high	97 Å²	97	63.1 Å²	63.1	37%	0.366	34%	0.335	S	S	.	.	H	α-helix	trans	-59.6	-45.9	173	-76.8	-175.9	-83.6	-109.1	10.2	111.6	E304 M307 N308 A314 S315 L358	E304-R311 IonicContact OE1-NH2 3.91Å; M307-R311 WeakPolarHBondContact O-CB 3.31Å; M307-R311 WeakPolarHBondContact O-CG 3.32Å; M307-R311 PolarHBondContact O-N 2.96Å; N308-R311 PolarHBondContact O-N 3.47Å; N308-R311 PolarHBondContact OD1-NE 3.16Å; N308-R311 VanDerWaalsContact OD1-NE 3.07Å; N308-R311 PolarHBondContact OD1-NH2 3.29Å; R311-A314 PolarHBondContact O-N 3.34Å; R311-S315 PolarHBondContact O-N 3.27Å; R311-S315 PolarHBondContact O-OG 3.06Å; R311-L358 HydrophobicContact CG-CD1 3.91Å
312	A	93.7	Very high	91.3	Very high	56 Å²	56	65.3 Å²	65.3	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-67.8	-36.2	178.1	0	0	0	0	0	113.4	N308 R309 S315 S316	N308-A312 WeakPolarHBondContact O-CB 3.28Å; N308-A312 PolarHBondContact O-N 2.85Å; R309-A312 PolarHBondContact O-N 3.34Å; A312-S315 PolarHBondContact O-OG 2.7Å; A312-S316 WeakPolarHBondContact O-CB 3.17Å; A312-S316 PolarHBondContact O-N 2.93Å
313	I	93.5	Very high	91.7	Very high	44 Å²	44	63 Å²	63	23%	0.226	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-46.6	173.8	-70.2	162.2	0	0	0	110.2	R309 N310 A317 A340 I343 I344	R309-I313 HydrophobicContact CG-CD1 3.9Å; R309-I313 WeakPolarHBondContact O-CD1 3.48Å; R309-I313 VanDerWaalsContact O-CG1 3.27Å; R309-I313 WeakPolarHBondContact O-CG1 3.45Å; R309-I313 PolarHBondContact O-N 3.43Å; N310-I313 PolarHBondContact O-N 3.13Å; I313-A317 VanDerWaalsContact O-CB 3.26Å; I313-A317 WeakPolarHBondContact O-CB 3.45Å; I313-A317 PolarHBondContact O-N 3.06Å; I313-A340 HydrophobicContact CG2-CB 4.08Å; I313-I343 HydrophobicContact CD1-CG2 3.91Å; I313-I344 HydrophobicContact CG2-CD1 4.16Å; I313-I344 HydrophobicContact CG2-CG1 4.18Å
314	A	93.9	Very high	91.9	Very high	3 Å²	3	59.4 Å²	59.4	3%	0.025	32%	0.315	C	S	.	.	H	α-helix	trans	-61.9	-48.2	179.3	0	0	0	0	0	112.4	N310 R311 A317 I318 I344 L358 L362	N310-A314 WeakPolarHBondContact O-CB 3.06Å; N310-A314 PolarHBondContact O-N 3.19Å; R311-A314 PolarHBondContact O-N 3.34Å; A314-A317 PolarHBondContact O-N 3.39Å; A314-I318 VanDerWaalsContact O-CG1 3.31Å; A314-I318 WeakPolarHBondContact O-CG1 3.31Å; A314-I318 PolarHBondContact O-N 3.24Å; A314-I344 HydrophobicContact CB-CD1 4Å; A314-L358 HydrophobicContact CB-CD2 4.21Å; A314-L362 HydrophobicContact CB-CD1 3.96Å; A314-L362 HydrophobicContact CB-CD2 4.35Å; A314-L362 HydrophobicContact CB-CG 4.3Å
315	S	93.6	Very high	92	Very high	65 Å²	65	55.3 Å²	55.3	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-65.9	-42.6	179.5	59.8	0	0	0	0	112.4	R311 A312 A317 I318 T319	R311-S315 PolarHBondContact O-N 3.27Å; R311-S315 PolarHBondContact O-OG 3.06Å; A312-S315 PolarHBondContact O-OG 2.7Å; S315-A317 VanDerWaalsContact C-N 3.32Å; S315-A317 PolarHBondContact O-N 3.05Å; S315-I318 PolarHBondContact O-N 3.3Å; S315-T319 PolarHBondContact O-N 2.73Å; S315-T319 PolarHBondContact O-OG1 3.46Å
316	S	94.6	Very high	91.8	Very high	57 Å²	57	55.8 Å²	55.8	40%	0.399	31%	0.312	S	S	.	.	H	α-helix	trans	-60	-41.3	174.4	-172	0	0	0	0	112.2	A312 K320	A312-S316 WeakPolarHBondContact O-CB 3.17Å; A312-S316 PolarHBondContact O-N 2.93Å; S316-K320 WeakPolarHBondContact O-CB 3.19Å; S316-K320 VanDerWaalsContact O-CG 3.28Å; S316-K320 WeakPolarHBondContact O-CG 3.23Å; S316-K320 PolarHBondContact O-N 3.4Å
317	A	94.9	Very high	91.8	Very high	5 Å²	5	56 Å²	56	4%	0.041	32%	0.323	C	S	.	.	H	α-helix	trans	-66.9	-43.5	178	0	0	0	0	0	112.6	I313 A314 S315 K320 A321 T336 L337 A340 L362	I313-A317 VanDerWaalsContact O-CB 3.26Å; I313-A317 WeakPolarHBondContact O-CB 3.45Å; I313-A317 PolarHBondContact O-N 3.06Å; A314-A317 PolarHBondContact O-N 3.39Å; S315-A317 VanDerWaalsContact C-N 3.32Å; S315-A317 PolarHBondContact O-N 3.05Å; A317-K320 PolarHBondContact O-N 3.28Å; A317-A321 VanDerWaalsContact O-CB 3.23Å; A317-A321 WeakPolarHBondContact O-CB 3.4Å; A317-A321 PolarHBondContact O-N 3.19Å; A317-T336 HydrophobicContact CB-CG2 4.21Å; A317-L337 HydrophobicContact CB-CD2 4.4Å; A317-A340 HydrophobicContact CB-CB 3.32Å; A317-L362 HydrophobicContact CB-CD2 4.37Å
318	I	93.1	Very high	91.5	Very high	44 Å²	44	58.2 Å²	58.2	23%	0.226	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-48	175.7	-68.2	164.8	0	0	0	110.5	A314 S315 K320 A321 I322 L337 L362	A314-I318 VanDerWaalsContact O-CG1 3.31Å; A314-I318 WeakPolarHBondContact O-CG1 3.31Å; A314-I318 PolarHBondContact O-N 3.24Å; S315-I318 PolarHBondContact O-N 3.3Å; I318-K320 VanDerWaalsContact C-N 3.34Å; I318-K320 PolarHBondContact O-N 3.33Å; I318-A321 PolarHBondContact O-N 2.85Å; I318-I322 HydrophobicContact CG2-CD1 3.69Å; I318-I322 HydrophobicContact CG2-CG1 4.39Å; I318-I322 WeakPolarHBondContact O-CG1 3.46Å; I318-I322 PolarHBondContact O-N 2.79Å; I318-L337 HydrophobicContact CG1-CD2 4.36Å; I318-L362 HydrophobicContact CD1-CD2 4.01Å; I318-L362 HydrophobicContact CG1-CD2 3.69Å
319	T	93.7	Very high	91.3	Very high	99 Å²	99	59.4 Å²	59.4	61%	0.607	35%	0.353	S	S	*	.	H	α-helix	trans	-58.6	-45.5	177.7	-57.4	0	0	0	0	111.7	S315 S323	S315-T319 PolarHBondContact O-N 2.73Å; S315-T319 PolarHBondContact O-OG1 3.46Å; T319-S323 WeakPolarHBondContact O-CB 3.09Å; T319-S323 PolarHBondContact O-N 3.16Å; T319-S323 PolarHBondContact O-OG 2.91Å
320	K	92.9	Very high	91.1	Very high	121 Å²	121	56.8 Å²	56.8	53%	0.526	35%	0.348	S	S	.	.	H	α-helix	trans	-64.3	-44.7	176.5	-75.4	177.7	-178	-174.9	0	112.2	S316 A317 I318 S323 G324 T336	S316-K320 WeakPolarHBondContact O-CB 3.19Å; S316-K320 VanDerWaalsContact O-CG 3.28Å; S316-K320 WeakPolarHBondContact O-CG 3.23Å; S316-K320 PolarHBondContact O-N 3.4Å; A317-K320 PolarHBondContact O-N 3.28Å; I318-K320 VanDerWaalsContact C-N 3.34Å; I318-K320 PolarHBondContact O-N 3.33Å; K320-S323 WeakPolarHBondContact CA-OG 3.39Å; K320-S323 PolarHBondContact O-N 3.05Å; K320-S323 PolarHBondContact O-OG 3.46Å; K320-G324 PolarHBondContact O-N 3.37Å; K320-T336 HydrophobicContact CB-CG2 3.87Å; K320-T336 HydrophobicContact CD-CG2 4.36Å
321	A	93.8	Very high	91	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-43.1	179.8	0	0	0	0	0	112.6	A317 I318 G324 A325 A333 L337 I369	A317-A321 VanDerWaalsContact O-CB 3.23Å; A317-A321 WeakPolarHBondContact O-CB 3.4Å; A317-A321 PolarHBondContact O-N 3.19Å; I318-A321 PolarHBondContact O-N 2.85Å; A321-G324 PolarHBondContact O-N 3.04Å; A321-A325 WeakPolarHBondContact O-CB 3.33Å; A321-A325 PolarHBondContact O-N 3.44Å; A321-A333 HydrophobicContact CB-CB 4.15Å; A321-A333 VanDerWaalsContact O-CB 3.26Å; A321-A333 WeakPolarHBondContact O-CB 3.45Å; A321-L337 HydrophobicContact CB-CD1 3.84Å; A321-L337 HydrophobicContact CB-CD2 3.77Å; A321-L337 HydrophobicContact CB-CG 3.59Å; A321-I369 HydrophobicContact CB-CD1 4.08Å
322	I	90.7	Very high	90.8	Very high	93 Å²	93	60.4 Å²	60.4	48%	0.477	38%	0.377	S	S	.	.	H	α-helix	trans	-60.6	-46.5	173	-67.2	169	0	0	0	110	I318 G324 A325 T326	I318-I322 HydrophobicContact CG2-CD1 3.69Å; I318-I322 HydrophobicContact CG2-CG1 4.39Å; I318-I322 WeakPolarHBondContact O-CG1 3.46Å; I318-I322 PolarHBondContact O-N 2.79Å; I322-G324 PolarHBondContact O-N 3.44Å; I322-A325 PolarHBondContact O-N 3.16Å; I322-T326 PolarHBondContact O-N 3.5Å; I322-T326 PolarHBondContact O-OG1 3.21Å; I322-T326 VanDerWaalsContact O-OG1 3.11Å
323	S	90.6	Very high	90.7	Very high	65 Å²	65	57.8 Å²	57.8	46%	0.455	36%	0.355	S	S	.	.	H	α-helix	trans	-62.4	-41.7	179	73.8	0	0	0	0	112.8	T319 K320 T326 A327	T319-S323 WeakPolarHBondContact O-CB 3.09Å; T319-S323 PolarHBondContact O-N 3.16Å; T319-S323 PolarHBondContact O-OG 2.91Å; K320-S323 WeakPolarHBondContact CA-OG 3.39Å; K320-S323 PolarHBondContact O-N 3.05Å; K320-S323 PolarHBondContact O-OG 3.46Å; S323-T326 WeakPolarHBondContact CA-OG1 3.34Å; S323-T326 PolarHBondContact O-N 3.18Å; S323-T326 PolarHBondContact O-OG1 3.24Å; S323-A327 VanDerWaalsContact O-CB 3.32Å; S323-A327 WeakPolarHBondContact O-CB 3.13Å; S323-A327 PolarHBondContact O-N 3.02Å
324	G	89.1	Confident	90.6	Very high	10 Å²	10	57.6 Å²	57.6	10%	0.103	35%	0.354	C	S	.	.	H	α-helix	trans	-65.7	-40.4	176.1	0	0	0	0	0	112.8	K320 A321 I322 A327 G328 N329	K320-G324 PolarHBondContact O-N 3.37Å; A321-G324 PolarHBondContact O-N 3.04Å; I322-G324 PolarHBondContact O-N 3.44Å; G324-A327 CarbonylContact O-C 3.53Å; G324-A327 PolarHBondContact O-N 3.28Å; G324-G328 PolarHBondContact O-N 3Å; G324-N329 CarbonylContact O-C 3.54Å; G324-N329 PolarHBondContact O-N 3.36Å
325	A	88.1	Confident	90.5	Very high	30 Å²	30	63.1 Å²	63.1	25%	0.248	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-45.5	174.1	0	0	0	0	0	111.8	A321 I322 A327 G328 L330 I369	A321-A325 WeakPolarHBondContact O-CB 3.33Å; A321-A325 PolarHBondContact O-N 3.44Å; I322-A325 PolarHBondContact O-N 3.16Å; A325-A327 PolarHBondContact O-N 2.95Å; A325-G328 PolarHBondContact O-N 2.95Å; A325-L330 HydrophobicContact CB-CD2 3.8Å; A325-I369 HydrophobicContact CB-CD1 4.47Å
326	T	86.9	Confident	90.5	Very high	118 Å²	118	62.1 Å²	62.1	72%	0.724	37%	0.37	S	S	*	.	H	α-helix	trans	-66.1	-25.6	174.9	53.6	0	0	0	0	113.5	I322 S323 G328	I322-T326 PolarHBondContact O-N 3.5Å; I322-T326 PolarHBondContact O-OG1 3.21Å; I322-T326 VanDerWaalsContact O-OG1 3.11Å; S323-T326 WeakPolarHBondContact CA-OG1 3.34Å; S323-T326 PolarHBondContact O-N 3.18Å; S323-T326 PolarHBondContact O-OG1 3.24Å; T326-G328 VanDerWaalsContact C-N 3.3Å
327	A	87.1	Confident	90.4	Very high	65 Å²	65	59.4 Å²	59.4	54%	0.537	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	1.5	173.2	0	0	0	0	0	113.5	S323 G324 A325 N329	S323-A327 VanDerWaalsContact O-CB 3.32Å; S323-A327 WeakPolarHBondContact O-CB 3.13Å; S323-A327 PolarHBondContact O-N 3.02Å; G324-A327 CarbonylContact O-C 3.53Å; G324-A327 PolarHBondContact O-N 3.28Å; A325-A327 PolarHBondContact O-N 2.95Å; A327-N329 PolarHBondContact O-N 2.98Å; A327-N329 VanDerWaalsContact O-N 3.17Å
328	G	82.9	Confident	90.4	Very high	51 Å²	51	63.9 Å²	63.9	53%	0.526	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	-5.3	-176.7	0	0	0	0	0	115.3	G324 A325 T326 L330	G324-G328 PolarHBondContact O-N 3Å; A325-G328 PolarHBondContact O-N 2.95Å; T326-G328 VanDerWaalsContact C-N 3.3Å; G328-L330 PolarHBondContact O-N 2.84Å
329	N	87.6	Confident	90.4	Very high	106 Å²	106	64.9 Å²	64.9	57%	0.567	39%	0.385	S	S	*	.			trans	-80.4	57.3	176.8	-72.4	-46.9	0	0	0	110.9	G324 A327 N331 T332 A333	G324-N329 CarbonylContact O-C 3.54Å; G324-N329 PolarHBondContact O-N 3.36Å; A327-N329 PolarHBondContact O-N 2.98Å; A327-N329 VanDerWaalsContact O-N 3.17Å; N329-N331 PolarHBondContact O-N 3.06Å; N329-T332 PolarHBondContact O-N 3.39Å; N329-T332 PolarHBondContact O-OG1 3.39Å; N329-A333 PolarHBondContact O-N 3.42Å
330	L	87	Confident	90.5	Very high	60 Å²	60	60.4 Å²	60.4	31%	0.314	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-36.1	-167.7	-89.2	172.1	0	0	0	113.5	A325 G328 A333 M334 I369 Y373	A325-L330 HydrophobicContact CB-CD2 3.8Å; G328-L330 PolarHBondContact O-N 2.84Å; L330-A333 WeakPolarHBondContact O-CB 3.47Å; L330-A333 PolarHBondContact O-N 3.31Å; L330-M334 PolarHBondContact O-N 3.15Å; L330-I369 HydrophobicContact CD2-CG2 4.23Å; L330-Y373 VanDerWaalsContact C-OH 3.31Å; L330-Y373 HydrophobicContact CB-CE1 3.89Å; L330-Y373 VanDerWaalsContact CB-OH 3.22Å; L330-Y373 WeakPolarHBondContact CB-OH 3.33Å; L330-Y373 HydrophobicContact CD1-CE1 4.28Å; L330-Y373 HydrophobicContact CD1-CE2 4.45Å; L330-Y373 HydrophobicContact CD2-CE2 3.87Å; L330-Y373 WeakPolarHBondContact CD2-OH 3.34Å; L330-Y373 HydrophobicContact CG-CE1 4.49Å; L330-Y373 PolarHBondContact O-OH 3.33Å
331	N	89.7	Confident	90.4	Very high	106 Å²	106	55.5 Å²	55.5	57%	0.567	34%	0.337	S	S	*	.	H	α-helix	trans	-63.6	-46.4	175.9	-66.2	-2.2	0	0	0	112.3	N329 A333 M334 E335	N329-N331 PolarHBondContact O-N 3.06Å; N331-A333 PolarHBondContact O-N 3.16Å; N331-M334 PolarHBondContact O-N 2.77Å; N331-M334 VanDerWaalsContact O-N 3.08Å; N331-E335 WeakPolarHBondContact O-CG 2.81Å; N331-E335 PolarHBondContact O-N 2.94Å
332	T	89.1	Confident	90.4	Very high	71 Å²	71	57.2 Å²	57.2	44%	0.436	35%	0.352	S	S	.	.	H	α-helix	trans	-68.3	-26.6	-178.4	69.2	0	0	0	0	112.2	N329 T336	N329-T332 PolarHBondContact O-N 3.39Å; N329-T332 PolarHBondContact O-OG1 3.39Å; T332-T336 WeakPolarHBondContact O-CB 3.43Å; T332-T336 PolarHBondContact O-N 2.79Å; T332-T336 PolarHBondContact O-OG1 3.11Å
333	A	92.3	Very high	90.4	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-65.2	-44.9	169.7	0	0	0	0	0	112.2	A321 N329 L330 N331 T336 L337	A321-A333 HydrophobicContact CB-CB 4.15Å; A321-A333 VanDerWaalsContact O-CB 3.26Å; A321-A333 WeakPolarHBondContact O-CB 3.45Å; N329-A333 PolarHBondContact O-N 3.42Å; L330-A333 WeakPolarHBondContact O-CB 3.47Å; L330-A333 PolarHBondContact O-N 3.31Å; N331-A333 PolarHBondContact O-N 3.16Å; A333-T336 PolarHBondContact O-N 3.49Å; A333-L337 PolarHBondContact O-N 3.03Å
334	M	90.8	Very high	90.4	Very high	39 Å²	39	53.2 Å²	53.2	19%	0.192	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-44.9	176.5	-67.1	-172.7	-66.5	0	0	111.9	L330 N331 T336 L337 L338 I369 Y373	L330-M334 PolarHBondContact O-N 3.15Å; N331-M334 PolarHBondContact O-N 2.77Å; N331-M334 VanDerWaalsContact O-N 3.08Å; M334-T336 VanDerWaalsContact C-N 3.29Å; M334-T336 PolarHBondContact O-N 3.34Å; M334-L337 PolarHBondContact O-N 3.26Å; M334-L338 WeakPolarHBondContact O-CG 3.47Å; M334-L338 PolarHBondContact O-N 2.72Å; M334-I369 HydrophobicContact CG-CG2 4.21Å; M334-Y373 HydrophobicContact CE-CE1 3.72Å; M334-Y373 VanDerWaalsContact CE-OH 3.26Å; M334-Y373 WeakPolarHBondContact CE-OH 3.26Å; M334-Y373 WeakPolarHBondContact CG-OH 3.46Å; M334-Y373 HydrophobicContact SD-CE1 4.23Å; M334-Y373 HydrophobicContact SD-CE2 4.36Å; M334-Y373 PolarHBondContact SD-OH 3.44Å; M334-Y373 VanDerWaalsContact SD-OH 3.32Å
335	E	92.2	Very high	90.4	Very high	119 Å²	119	59 Å²	59	56%	0.556	35%	0.348	S	S	*	.	H	α-helix	trans	-57.6	-41.3	175.2	-71	163.9	-175.3	0	0	111.9	N331 L337 L338 S339	N331-E335 WeakPolarHBondContact O-CG 2.81Å; N331-E335 PolarHBondContact O-N 2.94Å; E335-L337 PolarHBondContact O-N 3.21Å; E335-L338 PolarHBondContact O-N 3.02Å; E335-S339 VanDerWaalsContact O-CB 3.26Å; E335-S339 WeakPolarHBondContact O-CB 3.11Å; E335-S339 PolarHBondContact O-N 3.37Å
336	T	93.4	Very high	90.4	Very high	44 Å²	44	62.1 Å²	62.1	27%	0.27	36%	0.357	S	S	.	.	H	α-helix	trans	-61.9	-42.6	177	-62.8	0	0	0	0	112.1	A317 K320 T332 A333 M334 A340	A317-T336 HydrophobicContact CB-CG2 4.21Å; K320-T336 HydrophobicContact CB-CG2 3.87Å; K320-T336 HydrophobicContact CD-CG2 4.36Å; T332-T336 WeakPolarHBondContact O-CB 3.43Å; T332-T336 PolarHBondContact O-N 2.79Å; T332-T336 PolarHBondContact O-OG1 3.11Å; A333-T336 PolarHBondContact O-N 3.49Å; M334-T336 VanDerWaalsContact C-N 3.29Å; M334-T336 PolarHBondContact O-N 3.34Å; T336-A340 WeakPolarHBondContact O-CB 3.49Å; T336-A340 PolarHBondContact O-N 2.96Å; T336-A340 VanDerWaalsContact O-N 3.09Å
337	L	93.6	Very high	90.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-69.2	-42.7	176.6	-67.7	176	0	0	0	112.2	A317 I318 A321 A333 M334 E335 S339 A340 I341 L362 C365 L366 I369	A317-L337 HydrophobicContact CB-CD2 4.4Å; I318-L337 HydrophobicContact CG1-CD2 4.36Å; A321-L337 HydrophobicContact CB-CD1 3.84Å; A321-L337 HydrophobicContact CB-CD2 3.77Å; A321-L337 HydrophobicContact CB-CG 3.59Å; A333-L337 PolarHBondContact O-N 3.03Å; M334-L337 PolarHBondContact O-N 3.26Å; E335-L337 PolarHBondContact O-N 3.21Å; L337-S339 PolarHBondContact O-N 3.41Å; L337-A340 PolarHBondContact O-N 3.08Å; L337-I341 VanDerWaalsContact O-CG1 3.31Å; L337-I341 WeakPolarHBondContact O-CG1 3.1Å; L337-I341 PolarHBondContact O-N 3.22Å; L337-L362 HydrophobicContact CD2-CD2 3.82Å; L337-C365 HydrophobicContact CD1-CB 4.37Å; L337-L366 HydrophobicContact CB-CB 4.47Å; L337-L366 HydrophobicContact CB-CD1 4.17Å; L337-L366 HydrophobicContact CD1-CB 3.87Å; L337-I369 HydrophobicContact CD1-CD1 4Å
338	L	93.5	Very high	90.2	Very high	100 Å²	100	65.5 Å²	65.5	52%	0.524	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-43.1	177.2	-70.9	171.1	0	0	0	111.7	M334 E335 I341 A342 L366	M334-L338 WeakPolarHBondContact O-CG 3.47Å; M334-L338 PolarHBondContact O-N 2.72Å; E335-L338 PolarHBondContact O-N 3.02Å; L338-I341 PolarHBondContact O-N 3.31Å; L338-A342 WeakPolarHBondContact O-CB 3.46Å; L338-A342 PolarHBondContact O-N 3.02Å; L338-L366 HydrophobicContact CD2-CD1 3.57Å; L338-L366 HydrophobicContact CG-CD1 3.7Å
339	S	94.4	Very high	90.2	Very high	64 Å²	64	63.3 Å²	63.3	45%	0.448	32%	0.321	S	S	.	.	H	α-helix	trans	-61.3	-45.9	175.1	-177.1	0	0	0	0	111.9	E335 L337 I341 A342 I343	E335-S339 VanDerWaalsContact O-CB 3.26Å; E335-S339 WeakPolarHBondContact O-CB 3.11Å; E335-S339 PolarHBondContact O-N 3.37Å; L337-S339 PolarHBondContact O-N 3.41Å; S339-I341 PolarHBondContact O-N 2.99Å; S339-A342 WeakPolarHBondContact O-CB 3.26Å; S339-A342 PolarHBondContact O-N 3.5Å; S339-A342 VanDerWaalsContact O-N 3.14Å; S339-I343 WeakPolarHBondContact O-CG1 3.48Å; S339-I343 PolarHBondContact O-N 3.36Å
340	A	94.4	Very high	89.7	Confident	5 Å²	5	60 Å²	60	4%	0.041	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-42.4	176.6	0	0	0	0	0	112.9	I313 A317 T336 L337 A342 I343 I344 L362	I313-A340 HydrophobicContact CG2-CB 4.08Å; A317-A340 HydrophobicContact CB-CB 3.32Å; T336-A340 WeakPolarHBondContact O-CB 3.49Å; T336-A340 PolarHBondContact O-N 2.96Å; T336-A340 VanDerWaalsContact O-N 3.09Å; L337-A340 PolarHBondContact O-N 3.08Å; A340-A342 VanDerWaalsContact C-N 3.32Å; A340-A342 PolarHBondContact O-N 3.26Å; A340-I343 PolarHBondContact O-N 3.32Å; A340-I344 WeakPolarHBondContact O-CB 3.26Å; A340-I344 VanDerWaalsContact O-CG1 3.31Å; A340-I344 WeakPolarHBondContact O-CG1 3.33Å; A340-I344 PolarHBondContact O-N 3.15Å; A340-L362 HydrophobicContact CB-CD1 4.44Å
341	I	91.9	Very high	89.3	Confident	18 Å²	18	68 Å²	68	9%	0.092	33%	0.332	C	S	.	.	H	α-helix	trans	-61.3	-41.5	173.2	-68.9	164.3	0	0	0	110.6	L337 L338 S339 K345 V359 L362 K363	L337-I341 VanDerWaalsContact O-CG1 3.31Å; L337-I341 WeakPolarHBondContact O-CG1 3.1Å; L337-I341 PolarHBondContact O-N 3.22Å; L338-I341 PolarHBondContact O-N 3.31Å; S339-I341 PolarHBondContact O-N 2.99Å; I341-K345 HydrophobicContact CG2-CD 3.95Å; I341-K345 HydrophobicContact CG2-CG 4.43Å; I341-K345 VanDerWaalsContact O-CB 3.32Å; I341-K345 WeakPolarHBondContact O-CB 3.46Å; I341-K345 VanDerWaalsContact O-CG 3.26Å; I341-K345 WeakPolarHBondContact O-CG 3.25Å; I341-K345 PolarHBondContact O-N 3.4Å; I341-V359 HydrophobicContact CG2-CG1 4.23Å; I341-L362 HydrophobicContact CD1-CB 3.92Å; I341-L362 HydrophobicContact CG1-CB 3.64Å; I341-L362 HydrophobicContact CG1-CD1 4.05Å; I341-L362 HydrophobicContact CG1-CG 4.46Å; I341-K363 HydrophobicContact CD1-CG 4Å
342	A	92.6	Very high	89.2	Confident	37 Å²	37	65.1 Å²	65.1	31%	0.306	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-45	178.4	0	0	0	0	0	112.1	L338 S339 A340 K345 Q346	L338-A342 WeakPolarHBondContact O-CB 3.46Å; L338-A342 PolarHBondContact O-N 3.02Å; S339-A342 WeakPolarHBondContact O-CB 3.26Å; S339-A342 PolarHBondContact O-N 3.5Å; S339-A342 VanDerWaalsContact O-N 3.14Å; A340-A342 VanDerWaalsContact C-N 3.32Å; A340-A342 PolarHBondContact O-N 3.26Å; A342-K345 PolarHBondContact O-N 3.38Å; A342-Q346 VanDerWaalsContact O-CG 3.26Å; A342-Q346 WeakPolarHBondContact O-CG 3.27Å; A342-Q346 PolarHBondContact O-N 3.19Å; A342-Q346 VanDerWaalsContact O-N 3.07Å; A342-Q346 PolarHBondContact O-NE2 3.22Å; A342-Q346 VanDerWaalsContact O-NE2 3.11Å
343	I	92.1	Very high	89.2	Confident	73 Å²	73	70.1 Å²	70.1	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-47	178.6	-64.4	161.5	0	0	0	110.8	I313 S339 A340 K345 Q346 S347	I313-I343 HydrophobicContact CD1-CG2 3.91Å; S339-I343 WeakPolarHBondContact O-CG1 3.48Å; S339-I343 PolarHBondContact O-N 3.36Å; A340-I343 PolarHBondContact O-N 3.32Å; I343-K345 VanDerWaalsContact C-N 3.26Å; I343-K345 PolarHBondContact O-N 3.14Å; I343-Q346 PolarHBondContact O-N 3.42Å; I343-S347 PolarHBondContact O-N 3.23Å; I343-S347 VanDerWaalsContact O-N 3.08Å
344	I	90.2	Very high	88.9	Confident	0 Å²	0	73 Å²	73	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-64.6	-32.8	179	-66.4	167	0	0	0	111	N310 I313 A314 A340 Q346 S347 C355 V359 L362	N310-I344 HydrophobicContact CB-CG1 4.25Å; N310-I344 HydrophobicContact CB-CG2 4.48Å; I313-I344 HydrophobicContact CG2-CD1 4.16Å; I313-I344 HydrophobicContact CG2-CG1 4.18Å; A314-I344 HydrophobicContact CB-CD1 4Å; A340-I344 WeakPolarHBondContact O-CB 3.26Å; A340-I344 VanDerWaalsContact O-CG1 3.31Å; A340-I344 WeakPolarHBondContact O-CG1 3.33Å; A340-I344 PolarHBondContact O-N 3.15Å; I344-Q346 VanDerWaalsContact C-N 3.35Å; I344-S347 VanDerWaalsContact O-CB 3.29Å; I344-S347 WeakPolarHBondContact O-CB 3.25Å; I344-S347 PolarHBondContact O-N 3.38Å; I344-C355 VanDerWaalsContact CG2-SG 3.56Å; I344-V359 HydrophobicContact CB-CG2 4.3Å; I344-V359 HydrophobicContact CG2-CG2 3.62Å; I344-L362 HydrophobicContact CD1-CD1 3.6Å
345	K	88.7	Confident	88.8	Confident	132 Å²	132	71.1 Å²	71.1	57%	0.574	34%	0.343	S	S	*	.	H	α-helix	trans	-72.7	-21.8	172.7	-75.5	-179.6	70.3	-166	0	114.8	I341 A342 I343	I341-K345 HydrophobicContact CG2-CD 3.95Å; I341-K345 HydrophobicContact CG2-CG 4.43Å; I341-K345 VanDerWaalsContact O-CB 3.32Å; I341-K345 WeakPolarHBondContact O-CB 3.46Å; I341-K345 VanDerWaalsContact O-CG 3.26Å; I341-K345 WeakPolarHBondContact O-CG 3.25Å; I341-K345 PolarHBondContact O-N 3.4Å; A342-K345 PolarHBondContact O-N 3.38Å; I343-K345 VanDerWaalsContact C-N 3.26Å; I343-K345 PolarHBondContact O-N 3.14Å
346	Q	88.3	Confident	88.7	Confident	96 Å²	96	70.4 Å²	70.4	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-84.2	-20.2	173.3	-70.2	164	49.8	0	0	112.1	A342 I343 I344	A342-Q346 VanDerWaalsContact O-CG 3.26Å; A342-Q346 WeakPolarHBondContact O-CG 3.27Å; A342-Q346 PolarHBondContact O-N 3.19Å; A342-Q346 VanDerWaalsContact O-N 3.07Å; A342-Q346 PolarHBondContact O-NE2 3.22Å; A342-Q346 VanDerWaalsContact O-NE2 3.11Å; I343-Q346 PolarHBondContact O-N 3.42Å; I344-Q346 VanDerWaalsContact C-N 3.35Å
347	S	86.4	Confident	88.6	Confident	14 Å²	14	71 Å²	71	10%	0.098	35%	0.349	C	S	.	.	S	Bend	trans	-60.4	137.2	171.5	-172.5	0	0	0	0	111.4	M306 N310 I343 I344 V349 C350	M306-S347 WeakPolarHBondContact CG-OG 3.22Å; N310-S347 WeakPolarHBondContact ND2-CB 3.21Å; N310-S347 PolarHBondContact ND2-OG 2.74Å; I343-S347 PolarHBondContact O-N 3.23Å; I343-S347 VanDerWaalsContact O-N 3.08Å; I344-S347 VanDerWaalsContact O-CB 3.29Å; I344-S347 WeakPolarHBondContact O-CB 3.25Å; I344-S347 PolarHBondContact O-N 3.38Å; S347-V349 PolarHBondContact O-N 2.85Å; S347-C350 WeakPolarHBondContact O-CB 3.4Å; S347-C350 PolarHBondContact O-N 3.48Å
348	R	84	Confident	88.4	Confident	239 Å²	239	72.9 Å²	72.9	90%	0.902	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-56.2	-23.7	176	-67.2	-176.4	177.5	-174.8	-0.7	112.7	C350	R348-C350 VanDerWaalsContact C-N 3.34Å
349	V	82.8	Confident	88.3	Confident	5 Å²	5	68.7 Å²	68.7	3%	0.03	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-83	-2.7	-179.3	-166.2	0	0	0	0	113.8	F303 M306 M307 S347 R351 D352 C355	F303-V349 HydrophobicContact CD2-CB 4.4Å; F303-V349 HydrophobicContact CD2-CG1 3.96Å; F303-V349 HydrophobicContact CD2-CG2 3.7Å; F303-V349 HydrophobicContact CE1-CG1 4.04Å; F303-V349 HydrophobicContact CE2-CB 4.16Å; F303-V349 HydrophobicContact CE2-CG1 3.37Å; F303-V349 HydrophobicContact CE2-CG2 3.98Å; F303-V349 HydrophobicContact CG-CG2 4.15Å; F303-V349 HydrophobicContact CZ-CG1 3.41Å; F303-V349 VanDerWaalsContact CZ-CG1 3.41Å; M306-V349 HydrophobicContact CB-CG2 3.84Å; M306-V349 HydrophobicContact CG-CG2 3.84Å; M307-V349 HydrophobicContact CG-CB 4.47Å; M307-V349 HydrophobicContact CG-CG1 3.64Å; M307-V349 HydrophobicContact SD-CB 4.29Å; M307-V349 HydrophobicContact SD-CG1 3.48Å; M307-V349 WeakPolarHBondContact SD-CG1 3.39Å; S347-V349 PolarHBondContact O-N 2.85Å; V349-R351 PolarHBondContact O-N 2.97Å; V349-D352 HydrophobicContact CG1-CB 3.82Å; V349-D352 PolarHBondContact O-N 3.38Å; V349-C355 HydrophobicContact CG1-CB 4.2Å; V349-C355 WeakPolarHBondContact O-CB 3.26Å
350	C	77.4	Confident	88.3	Confident	36 Å²	36	69 Å²	69	24%	0.243	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-52.5	-22.9	178.3	-177.9	0	0	0	0	114.4	S347 R348	S347-C350 WeakPolarHBondContact O-CB 3.4Å; S347-C350 PolarHBondContact O-N 3.48Å; R348-C350 VanDerWaalsContact C-N 3.34Å
351	R	77.8	Confident	88.2	Confident	228 Å²	228	71.6 Å²	71.6	86%	0.86	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-74.3	-21.6	175.8	-78.7	-179	162.9	139.7	-3.7	114.5	V349 Q356	V349-R351 PolarHBondContact O-N 2.97Å; R351-Q356 PolarHBondContact O-NE2 3.3Å
352	D	88.5	Confident	88.3	Confident	47 Å²	47	70.8 Å²	70.8	25%	0.251	35%	0.351	S	S	.	.	S	Bend	trans	-72.6	147.6	-179.7	178.6	45.8	0	0	0	112.7	F303 V349 S354 C355 Q356	F303-D352 HydrophobicContact CE2-CB 4.43Å; F303-D352 HydrophobicContact CZ-CB 3.87Å; V349-D352 HydrophobicContact CG1-CB 3.82Å; V349-D352 PolarHBondContact O-N 3.38Å; D352-S354 VanDerWaalsContact C-N 3.29Å; D352-S354 PolarHBondContact O-N 3.04Å; D352-S354 WeakPolarHBondContact OD2-CA 3.46Å; D352-S354 WeakPolarHBondContact OD2-CB 3.45Å; D352-S354 PolarHBondContact OD2-N 3.42Å; D352-S354 PolarHBondContact OD2-OG 3.41Å; D352-C355 HydrophobicContact CB-CB 4.36Å; D352-C355 PolarHBondContact O-N 3.14Å; D352-C355 VanDerWaalsContact O-N 3.16Å; D352-Q356 WeakPolarHBondContact O-CG 3.31Å; D352-Q356 PolarHBondContact O-N 2.94Å
353	K	88.7	Confident	88.3	Confident	175 Å²	175	74.2 Å²	74.2	76%	0.761	36%	0.359	S	S	*	.	H	α-helix	trans	-59.2	-38.8	178.2	-63.5	176	-177.9	174.7	0	111.9	C355 Q356 A357	K353-C355 VanDerWaalsContact C-N 3.34Å; K353-Q356 PolarHBondContact O-N 3.01Å; K353-A357 WeakPolarHBondContact O-CB 3.4Å; K353-A357 PolarHBondContact O-N 2.91Å
354	S	85.7	Confident	88.2	Confident	62 Å²	62	75.7 Å²	75.7	43%	0.434	37%	0.367	S	S	.	.	H	α-helix	trans	-67.2	-38.2	178	-32.4	0	0	0	0	111.2	D352 A357 L358	D352-S354 VanDerWaalsContact C-N 3.29Å; D352-S354 PolarHBondContact O-N 3.04Å; D352-S354 WeakPolarHBondContact OD2-CA 3.46Å; D352-S354 WeakPolarHBondContact OD2-CB 3.45Å; D352-S354 PolarHBondContact OD2-N 3.42Å; D352-S354 PolarHBondContact OD2-OG 3.41Å; S354-A357 PolarHBondContact O-N 2.99Å; S354-L358 PolarHBondContact O-N 2.94Å
355	C	88.3	Confident	88.2	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-72.6	-36.3	177.2	-148.7	0	0	0	0	111.8	M307 N310 I344 V349 D352 K353 L358 V359	M307-C355 HydrophobicContact SD-CB 3.88Å; N310-C355 PolarHBondContact ND2-SG 2.83Å; N310-C355 VanDerWaalsContact ND2-SG 3.4Å; I344-C355 VanDerWaalsContact CG2-SG 3.56Å; V349-C355 HydrophobicContact CG1-CB 4.2Å; V349-C355 WeakPolarHBondContact O-CB 3.26Å; D352-C355 HydrophobicContact CB-CB 4.36Å; D352-C355 PolarHBondContact O-N 3.14Å; D352-C355 VanDerWaalsContact O-N 3.16Å; K353-C355 VanDerWaalsContact C-N 3.34Å; C355-L358 PolarHBondContact O-N 3.33Å; C355-V359 WeakPolarHBondContact O-CG2 3.49Å; C355-V359 PolarHBondContact O-N 3.06Å; C355-V359 VanDerWaalsContact O-N 3.15Å
356	Q	90	Very high	88.3	Confident	104 Å²	104	71.7 Å²	71.7	49%	0.486	35%	0.354	S	S	.	.	H	α-helix	trans	-63.9	-40.9	171.9	-70.2	177.5	50.8	0	0	111.9	R351 D352 K353 L358 V359 T360	R351-Q356 PolarHBondContact O-NE2 3.3Å; D352-Q356 WeakPolarHBondContact O-CG 3.31Å; D352-Q356 PolarHBondContact O-N 2.94Å; K353-Q356 PolarHBondContact O-N 3.01Å; Q356-L358 VanDerWaalsContact C-N 3.34Å; Q356-L358 PolarHBondContact O-N 2.93Å; Q356-V359 CarbonylContact O-C 3.48Å; Q356-V359 PolarHBondContact O-N 3.49Å; Q356-V359 VanDerWaalsContact O-N 3.1Å; Q356-T360 PolarHBondContact O-N 2.7Å; Q356-T360 PolarHBondContact O-OG1 2.71Å
357	A	90.8	Very high	88.4	Confident	56 Å²	56	71.3 Å²	71.3	46%	0.463	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-35.4	176.6	0	0	0	0	0	113.2	K353 S354 T360 S361	K353-A357 WeakPolarHBondContact O-CB 3.4Å; K353-A357 PolarHBondContact O-N 2.91Å; S354-A357 PolarHBondContact O-N 2.99Å; A357-T360 WeakPolarHBondContact CA-OG1 3.4Å; A357-T360 PolarHBondContact O-OG1 3.01Å; A357-S361 WeakPolarHBondContact O-CB 3.31Å; A357-S361 PolarHBondContact O-N 3.09Å
358	L	90.2	Very high	88.4	Confident	39 Å²	39	74.7 Å²	74.7	20%	0.204	38%	0.382	C	S	.	.	H	α-helix	trans	-65	-40.8	170.4	-71.2	167.9	0	0	0	111.6	M307 R311 A314 S354 C355 Q356 S361 L362	M307-L358 HydrophobicContact CE-CD1 4.08Å; R311-L358 HydrophobicContact CG-CD1 3.91Å; A314-L358 HydrophobicContact CB-CD2 4.21Å; S354-L358 PolarHBondContact O-N 2.94Å; C355-L358 PolarHBondContact O-N 3.33Å; Q356-L358 VanDerWaalsContact C-N 3.34Å; Q356-L358 PolarHBondContact O-N 2.93Å; L358-S361 PolarHBondContact O-N 3.14Å; L358-L362 WeakPolarHBondContact O-CG 3.46Å; L358-L362 PolarHBondContact O-N 3.46Å
359	V	92.1	Very high	88.4	Confident	12 Å²	12	64.2 Å²	64.2	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-69.4	-33.4	177.9	171.1	0	0	0	0	112.4	I341 I344 C355 Q356 K363	I341-V359 HydrophobicContact CG2-CG1 4.23Å; I344-V359 HydrophobicContact CB-CG2 4.3Å; I344-V359 HydrophobicContact CG2-CG2 3.62Å; C355-V359 WeakPolarHBondContact O-CG2 3.49Å; C355-V359 PolarHBondContact O-N 3.06Å; C355-V359 VanDerWaalsContact O-N 3.15Å; Q356-V359 CarbonylContact O-C 3.48Å; Q356-V359 PolarHBondContact O-N 3.49Å; Q356-V359 VanDerWaalsContact O-N 3.1Å; V359-K363 VanDerWaalsContact O-CG 3.31Å; V359-K363 WeakPolarHBondContact O-CG 3.35Å; V359-K363 PolarHBondContact O-N 3.39Å
360	T	93	Very high	88.3	Confident	72 Å²	72	69 Å²	69	44%	0.442	37%	0.365	S	S	.	.	H	α-helix	trans	-67.9	-48	170.4	49.8	0	0	0	0	110.8	Q356 A357 L362 K363 D364	Q356-T360 PolarHBondContact O-N 2.7Å; Q356-T360 PolarHBondContact O-OG1 2.71Å; A357-T360 WeakPolarHBondContact CA-OG1 3.4Å; A357-T360 PolarHBondContact O-OG1 3.01Å; T360-L362 VanDerWaalsContact C-N 3.28Å; T360-L362 PolarHBondContact O-N 3.48Å; T360-K363 CarbonylContact O-C 3.54Å; T360-K363 WeakPolarHBondContact O-CA 3.33Å; T360-K363 WeakPolarHBondContact O-CB 3.28Å; T360-K363 PolarHBondContact O-N 2.85Å; T360-D364 PolarHBondContact O-N 2.88Å; T360-D364 VanDerWaalsContact O-OD2 3.12Å
361	S	92.9	Very high	87.8	Confident	59 Å²	59	69 Å²	69	41%	0.413	37%	0.371	S	S	.	.	H	α-helix	trans	-56.7	-38.6	178	-179.6	0	0	0	0	113.4	A357 L358 D364 C365	A357-S361 WeakPolarHBondContact O-CB 3.31Å; A357-S361 PolarHBondContact O-N 3.09Å; L358-S361 PolarHBondContact O-N 3.14Å; S361-D364 PolarHBondContact O-N 3.39Å; S361-C365 WeakPolarHBondContact O-CB 3.33Å; S361-C365 PolarHBondContact O-N 2.94Å
362	L	93.1	Very high	87	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-67.1	-36	173.6	-75	167.2	0	0	0	113.2	A314 A317 I318 L337 A340 I341 I344 L358 T360 L366	A314-L362 HydrophobicContact CB-CD1 3.96Å; A314-L362 HydrophobicContact CB-CD2 4.35Å; A314-L362 HydrophobicContact CB-CG 4.3Å; A317-L362 HydrophobicContact CB-CD2 4.37Å; I318-L362 HydrophobicContact CD1-CD2 4.01Å; I318-L362 HydrophobicContact CG1-CD2 3.69Å; L337-L362 HydrophobicContact CD2-CD2 3.82Å; A340-L362 HydrophobicContact CB-CD1 4.44Å; I341-L362 HydrophobicContact CD1-CB 3.92Å; I341-L362 HydrophobicContact CG1-CB 3.64Å; I341-L362 HydrophobicContact CG1-CD1 4.05Å; I341-L362 HydrophobicContact CG1-CG 4.46Å; I344-L362 HydrophobicContact CD1-CD1 3.6Å; L358-L362 WeakPolarHBondContact O-CG 3.46Å; L358-L362 PolarHBondContact O-N 3.46Å; T360-L362 VanDerWaalsContact C-N 3.28Å; T360-L362 PolarHBondContact O-N 3.48Å; L362-L366 PolarHBondContact O-N 3.2Å
363	K	92.6	Very high	85.5	Confident	109 Å²	109	65.9 Å²	65.9	47%	0.474	37%	0.366	S	S	.	.	H	α-helix	trans	-69.1	-41.3	173.3	-73	170	174.4	-175.2	0	111.8	I341 V359 T360 C365 L366 V367	I341-K363 HydrophobicContact CD1-CG 4Å; V359-K363 VanDerWaalsContact O-CG 3.31Å; V359-K363 WeakPolarHBondContact O-CG 3.35Å; V359-K363 PolarHBondContact O-N 3.39Å; T360-K363 CarbonylContact O-C 3.54Å; T360-K363 WeakPolarHBondContact O-CA 3.33Å; T360-K363 WeakPolarHBondContact O-CB 3.28Å; T360-K363 PolarHBondContact O-N 2.85Å; K363-C365 VanDerWaalsContact C-N 3.3Å; K363-C365 PolarHBondContact O-N 3.45Å; K363-L366 WeakPolarHBondContact O-CB 3.44Å; K363-L366 PolarHBondContact O-N 2.82Å; K363-L366 VanDerWaalsContact O-N 3.13Å; K363-V367 WeakPolarHBondContact O-CG2 3.44Å; K363-V367 PolarHBondContact O-N 3.47Å
364	D	91.7	Very high	83.6	Confident	104 Å²	104	60.8 Å²	60.8	56%	0.556	36%	0.364	S	S	*	.	H	α-helix	trans	-65	-38.4	179.2	-57.4	-31.6	0	0	0	110.3	T360 S361 V367 S368	T360-D364 PolarHBondContact O-N 2.88Å; T360-D364 VanDerWaalsContact O-OD2 3.12Å; S361-D364 PolarHBondContact O-N 3.39Å; D364-V367 PolarHBondContact O-N 2.83Å; D364-S368 WeakPolarHBondContact O-CB 3.31Å; D364-S368 PolarHBondContact O-N 2.86Å
365	C	89.7	Confident	81.6	Confident	24 Å²	24	62.6 Å²	62.6	16%	0.162	38%	0.376	C	S	.	.	H	α-helix	trans	-61.4	-44.3	169.8	-175.4	0	0	0	0	112.2	L337 S361 K363 S368 I369	L337-C365 HydrophobicContact CD1-CB 4.37Å; S361-C365 WeakPolarHBondContact O-CB 3.33Å; S361-C365 PolarHBondContact O-N 2.94Å; K363-C365 VanDerWaalsContact C-N 3.3Å; K363-C365 PolarHBondContact O-N 3.45Å; C365-S368 PolarHBondContact O-N 3.32Å; C365-I369 WeakPolarHBondContact O-CG1 3.46Å; C365-I369 PolarHBondContact O-N 2.75Å
366	L	90.7	Very high	79.2	Confident	24 Å²	24	71.2 Å²	71.2	13%	0.126	41%	0.413	C	S	.	.	H	α-helix	trans	-63.3	-43.9	176.5	-174.2	153.5	0	0	0	111.9	L337 L338 L362 K363 I369 Q370	L337-L366 HydrophobicContact CB-CB 4.47Å; L337-L366 HydrophobicContact CB-CD1 4.17Å; L337-L366 HydrophobicContact CD1-CB 3.87Å; L338-L366 HydrophobicContact CD2-CD1 3.57Å; L338-L366 HydrophobicContact CG-CD1 3.7Å; L362-L366 PolarHBondContact O-N 3.2Å; K363-L366 WeakPolarHBondContact O-CB 3.44Å; K363-L366 PolarHBondContact O-N 2.82Å; K363-L366 VanDerWaalsContact O-N 3.13Å; L366-I369 PolarHBondContact O-N 3.07Å; L366-Q370 VanDerWaalsContact O-CB 3.28Å; L366-Q370 WeakPolarHBondContact O-CB 3.46Å; L366-Q370 PolarHBondContact O-N 3.13Å
367	V	89.4	Confident	76.8	Confident	87 Å²	87	71.5 Å²	71.5	53%	0.527	42%	0.424	S	S	.	.	H	α-helix	trans	-67.1	-38.7	177.1	171.6	0	0	0	0	111.3	K363 D364 I369 Q370 G371	K363-V367 WeakPolarHBondContact O-CG2 3.44Å; K363-V367 PolarHBondContact O-N 3.47Å; D364-V367 PolarHBondContact O-N 2.83Å; V367-I369 VanDerWaalsContact C-N 3.34Å; V367-I369 PolarHBondContact O-N 3.28Å; V367-Q370 PolarHBondContact O-N 3.19Å; V367-G371 PolarHBondContact O-N 3.45Å
368	S	87.4	Confident	74.2	Confident	86 Å²	86	74 Å²	74	60%	0.601	44%	0.437	S	S	*	.	H	α-helix	trans	-61.2	-43.7	174	-172.3	0	0	0	0	111.5	D364 C365	D364-S368 WeakPolarHBondContact O-CB 3.31Å; D364-S368 PolarHBondContact O-N 2.86Å; C365-S368 PolarHBondContact O-N 3.32Å
369	I	83.2	Confident	72.1	Confident	18 Å²	18	83 Å²	83	9%	0.092	47%	0.469	C	S	.	.	H	α-helix	trans	-63.7	-51.1	174.1	-74.7	173.6	0	0	0	109.5	A321 A325 L330 M334 L337 C365 L366 V367 G371 D372 Y373	A321-I369 HydrophobicContact CB-CD1 4.08Å; A325-I369 HydrophobicContact CB-CD1 4.47Å; L330-I369 HydrophobicContact CD2-CG2 4.23Å; M334-I369 HydrophobicContact CG-CG2 4.21Å; L337-I369 HydrophobicContact CD1-CD1 4Å; C365-I369 WeakPolarHBondContact O-CG1 3.46Å; C365-I369 PolarHBondContact O-N 2.75Å; L366-I369 PolarHBondContact O-N 3.07Å; V367-I369 VanDerWaalsContact C-N 3.34Å; V367-I369 PolarHBondContact O-N 3.28Å; I369-G371 VanDerWaalsContact C-N 3.25Å; I369-G371 PolarHBondContact O-N 2.85Å; I369-D372 PolarHBondContact O-N 2.97Å; I369-Y373 HydrophobicContact CG2-CE2 3.69Å; I369-Y373 WeakPolarHBondContact O-CD2 3.46Å; I369-Y373 WeakPolarHBondContact O-CE2 3.41Å
370	Q	80.6	Confident	69.8	Low	105 Å²	105	91.4 Å²	91.4	49%	0.491	51%	0.507	S	S	.	.	H	α-helix	trans	-60.8	-29.6	-177.9	-166.3	175	24.9	0	0	113.6	L366 V367 D372 Y373 G374	L366-Q370 VanDerWaalsContact O-CB 3.28Å; L366-Q370 WeakPolarHBondContact O-CB 3.46Å; L366-Q370 PolarHBondContact O-N 3.13Å; V367-Q370 PolarHBondContact O-N 3.19Å; Q370-D372 VanDerWaalsContact C-N 3.32Å; Q370-D372 PolarHBondContact O-N 2.67Å; Q370-Y373 WeakPolarHBondContact O-CB 3.47Å; Q370-Y373 WeakPolarHBondContact O-CD2 3.26Å; Q370-Y373 PolarHBondContact O-N 2.7Å; Q370-Y373 VanDerWaalsContact O-N 3.15Å; Q370-G374 PolarHBondContact O-N 3.23Å
371	G	68	Low	67.2	Low	36 Å²	36	92.1 Å²	92.1	37%	0.371	52%	0.515	S	S	.	.	H	α-helix	trans	-57.9	-39	177.2	0	0	0	0	0	113.7	V367 I369 Y373 G374 C375	V367-G371 PolarHBondContact O-N 3.45Å; I369-G371 VanDerWaalsContact C-N 3.25Å; I369-G371 PolarHBondContact O-N 2.85Å; G371-Y373 PolarHBondContact O-N 2.87Å; G371-G374 PolarHBondContact O-N 3.36Å; G371-C375 PolarHBondContact O-N 2.84Å; G371-C375 VanDerWaalsContact O-N 3.14Å
372	D	60.2	Low	64.5	Low	133 Å²	133	101.1 Å²	101.1	71%	0.711	54%	0.54	S	S	*	.	H	α-helix	trans	-67.6	-19.2	179.4	-75.3	-28.4	0	0	0	113.2	I369 Q370	I369-D372 PolarHBondContact O-N 2.97Å; Q370-D372 VanDerWaalsContact C-N 3.32Å; Q370-D372 PolarHBondContact O-N 2.67Å
373	Y	57.3	Low	61.7	Low	77 Å²	77	109.5 Å²	109.5	30%	0.302	58%	0.579	S	S	.	*	H	α-helix	trans	-82.3	-39.8	175.3	-54.9	-128.3	0	0	0	110.2	L330 M334 I369 Q370 G371 C375	L330-Y373 VanDerWaalsContact C-OH 3.31Å; L330-Y373 HydrophobicContact CB-CE1 3.89Å; L330-Y373 VanDerWaalsContact CB-OH 3.22Å; L330-Y373 WeakPolarHBondContact CB-OH 3.33Å; L330-Y373 HydrophobicContact CD1-CE1 4.28Å; L330-Y373 HydrophobicContact CD1-CE2 4.45Å; L330-Y373 HydrophobicContact CD2-CE2 3.87Å; L330-Y373 WeakPolarHBondContact CD2-OH 3.34Å; L330-Y373 HydrophobicContact CG-CE1 4.49Å; L330-Y373 PolarHBondContact O-OH 3.33Å; M334-Y373 HydrophobicContact CE-CE1 3.72Å; M334-Y373 VanDerWaalsContact CE-OH 3.26Å; M334-Y373 WeakPolarHBondContact CE-OH 3.26Å; M334-Y373 WeakPolarHBondContact CG-OH 3.46Å; M334-Y373 HydrophobicContact SD-CE1 4.23Å; M334-Y373 HydrophobicContact SD-CE2 4.36Å; M334-Y373 PolarHBondContact SD-OH 3.44Å; M334-Y373 VanDerWaalsContact SD-OH 3.32Å; I369-Y373 HydrophobicContact CG2-CE2 3.69Å; I369-Y373 WeakPolarHBondContact O-CD2 3.46Å; I369-Y373 WeakPolarHBondContact O-CE2 3.41Å; Q370-Y373 WeakPolarHBondContact O-CB 3.47Å; Q370-Y373 WeakPolarHBondContact O-CD2 3.26Å; Q370-Y373 PolarHBondContact O-N 2.7Å; Q370-Y373 VanDerWaalsContact O-N 3.15Å; G371-Y373 PolarHBondContact O-N 2.87Å; Y373-C375 PolarHBondContact O-N 3.28Å
374	G	49.8	Very low	59.2	Low	69 Å²	69	115.1 Å²	115.1	71%	0.711	60%	0.597	S	S	*	*	H	α-helix	trans	-68.7	-23.2	177.3	0	0	0	0	0	113.3	Q370 G371	Q370-G374 PolarHBondContact O-N 3.23Å; G371-G374 PolarHBondContact O-N 3.36Å
375	C	42.8	Very low	56.6	Low	100 Å²	100	119.8 Å²	119.8	68%	0.676	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	45.7	-176.8	-72.3	0	0	0	0	114.6	G371 Y373 P377	G371-C375 PolarHBondContact O-N 2.84Å; G371-C375 VanDerWaalsContact O-N 3.14Å; Y373-C375 PolarHBondContact O-N 3.28Å; C375-P377 WeakPolarHBondContact O-CD 3.32Å
376	K	38.6	Very low	54.3	Low	181 Å²	181	128.5 Å²	128.5	79%	0.787	65%	0.645	S	S	*	*			trans	-79	103.4	150.3	-78.6	-174	178.9	176.4	0	109.1	S378	K376-S378 VanDerWaalsContact C-N 3.34Å; K376-S378 PolarHBondContact O-N 2.91Å
377	P	39.6	Very low	51.8	Low	110 Å²	110	134.4 Å²	134.4	71%	0.714	68%	0.677	S	S	*	*			trans	-71.3	91.7	175.8	30.8	-36	0	0	0	109.5	C375 R379	C375-P377 WeakPolarHBondContact O-CD 3.32Å; P377-R379 VanDerWaalsContact C-N 3.26Å; P377-R379 PolarHBondContact O-N 3.48Å
378	S	34.8	Very low	49.4	Very low	107 Å²	107	142.2 Å²	142.2	75%	0.748	70%	0.697	S	S	*	*			trans	-62.5	90.6	169.8	-171.8	0	0	0	0	109.3	K376 H380	K376-S378 VanDerWaalsContact C-N 3.34Å; K376-S378 PolarHBondContact O-N 2.91Å; S378-H380 PolarHBondContact O-N 3.35Å
379	R	46.4	Very low	47.1	Very low	230 Å²	230	141.5 Å²	141.5	87%	0.868	70%	0.703	S	S	*	*			trans	-71.5	124	168.1	-67.9	-173.9	178.3	-159.6	2.3	106.7	P377	P377-R379 VanDerWaalsContact C-N 3.26Å; P377-R379 PolarHBondContact O-N 3.48Å
380	H	43.5	Very low	44.9	Very low	188 Å²	188	152.6 Å²	152.6	87%	0.87	74%	0.744	S	S	*	*	S	Bend	trans	85.8	61.1	172.5	-150.9	89.4	0	0	0	116.9	S378	S378-H380 PolarHBondContact O-N 3.35Å
381	S	38.5	Very low	43.1	Very low	86 Å²	86	156.8 Å²	156.8	60%	0.601	76%	0.763	S	S	*	*				-147	139.1	108.4	-171	0	0	0	0	111.3
382	R	36.5	Very low	41.7	Very low	248 Å²	248	165.6 Å²	165.6	94%	0.936	79%	0.785	S	S	*	*			trans	-136.6	58.6	169.5	-89.6	-171.2	173.2	166.7	-2.7	108.4
383	E	35.7	Very low	40.9	Very low	178 Å²	178	165.4 Å²	165.4	83%	0.832	78%	0.784	S	S	*	*			trans	-64.2	151.5	156.1	-76.5	-172.3	135.3	0	0	110
384	R	39.1	Very low	39.8	Very low	227 Å²	227	171.1 Å²	171.1	86%	0.857	81%	0.813	S	S	*	*			trans	-125.4	50.2	-142.1	-163.7	-179.1	-177.7	169.5	-1.1	111.4	R386	R384-R386 VanDerWaalsContact C-N 3.34Å; R384-R386 PolarHBondContact O-N 2.99Å
385	E	37.9	Very low	39.4	Very low	201 Å²	201	176.1 Å²	176.1	94%	0.939	82%	0.818	S	S	*	*			trans	-70.2	92.2	176.8	-68	-134.8	136.7	0	0	111.5
386	R	40	Very low	39.2	Very low	207 Å²	207	180.7 Å²	180.7	78%	0.781	82%	0.821	S	S	*	*			trans	-128.5	135.4	160.9	-86.2	-167.9	-171.4	167.5	-0.2	105.6	R384	R384-R386 VanDerWaalsContact C-N 3.34Å; R384-R386 PolarHBondContact O-N 2.99Å
387	D	38.2	Very low	39.1	Very low	148 Å²	148	178.8 Å²	178.8	79%	0.791	82%	0.82	S	S	*	*			cis	-140.2	163.6	10.1	-73.5	-61.7	0	0	0	111.3
388	R	39	Very low	39.2	Very low	251 Å²	251	183.2 Å²	183.2	95%	0.947	82%	0.822	S	S	*	*			trans	-100.9	128.8	161.9	-90.4	-170.3	172.5	90.8	-2	110.5
389	G	40.1	Very low	39.2	Very low	71 Å²	71	185.8 Å²	185.8	73%	0.732	82%	0.822	S	S	*	*			trans	94.5	109.6	148	0	0	0	0	0	117.3
390	R	36.4	Very low	38.6	Very low	252 Å²	252	184 Å²	184	95%	0.951	82%	0.815	S	S	*	*			trans	-164.2	71.9	140.7	-109.6	172.2	-168.1	138.4	3.6	109.9	R392	R390-R392 PolarHBondContact O-N 3.08Å
391	E	42	Very low	38.2	Very low	193 Å²	193	181 Å²	181	90%	0.902	81%	0.806	S	S	*	*			trans	-70.1	117.4	153.8	-68.9	-178.3	146.3	0	0	107.6
392	R	38.7	Very low	38.1	Very low	220 Å²	220	187.5 Å²	187.5	83%	0.83	82%	0.817	S	S	*	*			trans	-172.7	127.2	143.1	-102.3	-178.7	-165.1	168.7	4.4	110.5	R390	R390-R392 PolarHBondContact O-N 3.08Å
393	D	44	Very low	38.1	Very low	129 Å²	129	183.6 Å²	183.6	69%	0.69	81%	0.81	S	S	*	*			trans	49.7	90.4	136.9	-39.4	-25.5	0	0	0	117.7
394	H	35.4	Very low	38	Very low	197 Å²	197	187.1 Å²	187.1	91%	0.912	82%	0.815	S	S	*	*			trans	-144.6	94.4	136.2	-91.7	-61.4	0	0	0	109.5
395	E	39.4	Very low	37.7	Very low	175 Å²	175	185 Å²	185	82%	0.818	81%	0.808	S	S	*	*			trans	-62	152.8	160.8	-68.3	-160.5	123.7	0	0	110.2
396	R	38.9	Very low	37.8	Very low	196 Å²	196	185.2 Å²	185.2	74%	0.74	80%	0.801	S	S	*	*			trans	40.3	105	140.7	-178.7	-162.4	-86.1	-111	7.5	115.7
397	D	36.5	Very low	37.4	Very low	141 Å²	141	183.3 Å²	183.3	75%	0.754	80%	0.801	S	S	*	*				-151.8	166.3	92.7	-121.8	-32.5	0	0	0	114.9
398	R	41.5	Very low	37.3	Very low	203 Å²	203	187.1 Å²	187.1	77%	0.766	80%	0.804	S	S	*	*			trans	-94.9	140.6	171.2	-66.5	172.8	170.5	76.4	-1.8	109.2
399	E	35.7	Very low	37.1	Very low	160 Å²	160	180.7 Å²	180.7	75%	0.748	79%	0.789	S	S	*	*				154.6	154.8	115.8	-86.5	-154	-174.9	0	0	113.7
400	R	34	Very low	36.8	Very low	193 Å²	193	188 Å²	188	73%	0.728	79%	0.794	S	S	*	*			trans	78.7	150.1	140.1	-180	170.6	-70.8	-86.2	3.3	119.1
401	D	35.7	Very low	36.5	Very low	125 Å²	125	179.6 Å²	179.6	67%	0.668	79%	0.786	S	S	*	*			trans	46	93.2	172.1	-54.5	-18.2	0	0	0	115.8
402	R	36.3	Very low	36.2	Very low	222 Å²	222	176.6 Å²	176.6	84%	0.838	78%	0.776	S	S	*	*			cis	58.1	125.1	46.6	-123.4	-168.8	-158.1	100	0.1	112.6
403	E	35.8	Very low	36.3	Very low	166 Å²	166	170.4 Å²	170.4	78%	0.776	77%	0.772	S	S	*	*			trans	70.7	97.4	162	-62.2	172.6	-136.1	0	0	120
404	R	33.3	Very low	35.9	Very low	253 Å²	253	173.3 Å²	173.3	96%	0.955	77%	0.774	S	S	*	*				-150	142.9	117.4	-120.8	178.5	-174.1	-147.9	-1.4	113.2
405	Y	33	Very low	36	Very low	181 Å²	181	171.3 Å²	171.3	71%	0.71	77%	0.77	S	S	*	*			trans	-102.3	140.6	-177.8	-88.9	-77.3	0	0	0	112.3
406	R	39.2	Very low	36.3	Very low	207 Å²	207	175.4 Å²	175.4	78%	0.781	78%	0.778	S	S	*	*			trans	61.2	168.8	140	-72.2	170.9	178.8	134.9	-0	119.8
407	E	33.3	Very low	36.6	Very low	167 Å²	167	174.2 Å²	174.2	78%	0.78	78%	0.781	S	S	*	*			trans	69	145.8	-174.2	-64.6	-165.1	-148.4	0	0	115
408	R	35.2	Very low	36.8	Very low	227 Å²	227	173.1 Å²	173.1	86%	0.857	79%	0.785	S	S	*	*			cis	-138.4	164.6	14.6	-145.6	166	-153.9	-138.4	2.2	114.7
409	D	34.3	Very low	36.9	Very low	117 Å²	117	171 Å²	171	63%	0.626	80%	0.795	S	S	*	*			trans	-97.8	164.7	-172.2	-171.2	10.2	0	0	0	112.5
410	R	33.9	Very low	37.3	Very low	224 Å²	224	166.7 Å²	166.7	85%	0.845	79%	0.793	S	S	*	*			trans	75.1	144.6	165.1	-55	178.1	-173.8	137.5	9.2	120.7
411	G	31.3	Very low	37.9	Very low	75 Å²	75	160.1 Å²	160.1	77%	0.773	79%	0.786	S	S	*	*			trans	102.1	119.7	172.8	0	0	0	0	0	112.8
412	D	34.1	Very low	38.3	Very low	130 Å²	130	159.6 Å²	159.6	70%	0.695	79%	0.791	S	S	*	*			cis	-148.9	167.3	-0.6	-139.8	-38.3	0	0	0	111.8	Y414	D412-Y414 HydrophobicContact CB-CE1 4.11Å; D412-Y414 VanDerWaalsContact OD1-CE1 3.25Å; D412-Y414 WeakPolarHBondContact OD1-CE1 3.44Å; D412-Y414 PolarHBondContact OD2-OH 3.04Å
413	A	41.4	Very low	38.7	Very low	91 Å²	91	159.3 Å²	159.3	75%	0.752	79%	0.79	S	S	*	*			trans	-139.1	90.8	-171.1	0	0	0	0	0	113.7
414	Y	35.2	Very low	39.2	Very low	189 Å²	189	161.3 Å²	161.3	74%	0.741	79%	0.791	S	S	*	*			trans	-150.1	159.3	167.9	28.6	-100.4	0	0	0	113.4	D412	D412-Y414 HydrophobicContact CB-CE1 4.11Å; D412-Y414 VanDerWaalsContact OD1-CE1 3.25Å; D412-Y414 WeakPolarHBondContact OD1-CE1 3.44Å; D412-Y414 PolarHBondContact OD2-OH 3.04Å
415	D	37.5	Very low	39.7	Very low	155 Å²	155	158.7 Å²	158.7	83%	0.829	78%	0.782	S	S	*	*			trans	59	80.5	174.2	-90.2	28.9	0	0	0	119.9	E417	D415-E417 VanDerWaalsContact C-N 3.34Å; D415-E417 PolarHBondContact O-N 3.34Å
416	R	45.6	Very low	40.4	Very low	261 Å²	261	158.9 Å²	158.9	99%	0.985	78%	0.782	S	S	*	*			trans	-89.2	48.1	163.9	-168	-159.3	164.6	164.8	-3.9	112.2
417	E	44.8	Very low	40.5	Very low	171 Å²	171	156 Å²	156	80%	0.799	78%	0.777	S	S	*	*			trans	-147.7	81.4	179.5	-166.4	158.8	-132.1	0	0	116.2	D415	D415-E417 VanDerWaalsContact C-N 3.34Å; D415-E417 PolarHBondContact O-N 3.34Å
418	S	41.5	Very low	41.2	Very low	118 Å²	118	157.2 Å²	157.2	83%	0.825	78%	0.775	S	S	*	*			trans	-175.9	88.9	145	-92.7	0	0	0	0	114.5
419	T	42.9	Very low	41.8	Very low	159 Å²	159	149.7 Å²	149.7	98%	0.975	76%	0.757	S	S	*	*	S	Bend	trans	-117.5	18.8	166.3	43	0	0	0	0	113.6
420	G	45.6	Very low	42.4	Very low	70 Å²	70	152.8 Å²	152.8	72%	0.722	76%	0.76	S	S	*	*	S	Bend	trans	-102.6	-12.5	179.9	0	0	0	0	0	117	S422	G420-S422 PolarHBondContact O-N 2.69Å
421	G	45.8	Very low	43.2	Very low	55 Å²	55	145.5 Å²	145.5	57%	0.567	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-25.6	-163.8	0	0	0	0	0	117.2	R423 R424	G421-R423 PolarHBondContact O-N 3.1Å; G421-R424 PolarHBondContact O-N 3Å
422	S	45	Very low	44.3	Very low	113 Å²	113	146.9 Å²	146.9	79%	0.79	73%	0.729	S	S	*	*	H	α-helix	trans	-66	-27.4	-158.2	-169.1	0	0	0	0	116	G420	G420-S422 PolarHBondContact O-N 2.69Å
423	R	44.1	Very low	45.3	Very low	216 Å²	216	146.4 Å²	146.4	82%	0.815	72%	0.723	S	S	*	*	H	α-helix	trans	-75.9	-42.1	-177.8	-69.7	-169.2	-177.5	-169.7	3.2	113.7	G421 Y425 R426	G421-R423 PolarHBondContact O-N 3.1Å; R423-Y425 VanDerWaalsContact C-N 3.29Å; R423-Y425 PolarHBondContact O-N 3.41Å; R423-R426 PolarHBondContact O-N 3.15Å
424	R	45.3	Very low	46.2	Very low	208 Å²	208	148.2 Å²	148.2	79%	0.785	71%	0.714	S	S	*	*	H	α-helix	trans	-67	-25.6	-170.9	-67.4	-175.7	179.5	169.3	2.6	114	G421	G421-R424 PolarHBondContact O-N 3Å
425	Y	44.8	Very low	47.5	Very low	198 Å²	198	142.8 Å²	142.8	78%	0.776	70%	0.698	S	S	*	*	H	α-helix	trans	-72.5	-35	178.6	-156.6	-89.9	0	0	0	112.3	R423 S429	R423-Y425 VanDerWaalsContact C-N 3.29Å; R423-Y425 PolarHBondContact O-N 3.41Å; Y425-S429 PolarHBondContact O-N 3.41Å
426	R	46.4	Very low	48.8	Very low	186 Å²	186	141 Å²	141	70%	0.702	68%	0.679	S	S	*	*	H	α-helix	trans	-69.9	-43.9	-178.9	-177.3	169.3	-75.3	-142.3	-4.3	112.1	R423 R428 S429 W430	R423-R426 PolarHBondContact O-N 3.15Å; R426-R428 PolarHBondContact O-N 3.03Å; R426-S429 PolarHBondContact O-N 3.36Å; R426-W430 VanDerWaalsContact O-CD1 3.31Å; R426-W430 PolarHBondContact O-N 3.11Å
427	E	43.3	Very low	49.8	Very low	147 Å²	147	134.9 Å²	134.9	69%	0.687	66%	0.662	S	S	*	*	H	α-helix	trans	-65.6	-37.7	-178.8	-70.8	175.7	169.8	0	0	112.5	S429 W430 S431	E427-S429 PolarHBondContact O-N 2.94Å; E427-W430 PolarHBondContact O-N 3.48Å; E427-S431 PolarHBondContact O-N 2.97Å
428	R	46.5	Very low	50.8	Low	192 Å²	192	132.5 Å²	132.5	73%	0.725	65%	0.645	S	S	*	*	H	α-helix	trans	-58.3	-47.5	173.7	-79.5	-170	170.4	-162.1	-3.4	112.3	R426 W430 S431 E432	R426-R428 PolarHBondContact O-N 3.03Å; R428-W430 VanDerWaalsContact C-N 3.29Å; R428-W430 PolarHBondContact O-N 2.91Å; R428-S431 PolarHBondContact O-N 3.39Å; R428-S431 VanDerWaalsContact O-N 3.14Å; R428-E432 WeakPolarHBondContact O-CB 3.37Å; R428-E432 PolarHBondContact O-N 2.93Å
429	S	48.1	Very low	52.2	Low	68 Å²	68	130 Å²	130	48%	0.476	63%	0.628	S	S	.	*	H	α-helix	trans	-57.6	-39.5	-178.5	-166.4	0	0	0	0	112.9	Y425 R426 E427 E433	Y425-S429 PolarHBondContact O-N 3.41Å; R426-S429 PolarHBondContact O-N 3.36Å; E427-S429 PolarHBondContact O-N 2.94Å; S429-E433 PolarHBondContact O-N 3.21Å; S429-E433 VanDerWaalsContact O-N 3.16Å
430	W	46.4	Very low	53.5	Low	183 Å²	183	128.8 Å²	128.8	69%	0.693	61%	0.606	S	S	*	*	H	α-helix	trans	-75.4	-31.2	179.7	-76.1	68	0	0	0	112.6	R426 E427 R428 K434	R426-W430 VanDerWaalsContact O-CD1 3.31Å; R426-W430 PolarHBondContact O-N 3.11Å; E427-W430 PolarHBondContact O-N 3.48Å; R428-W430 VanDerWaalsContact C-N 3.29Å; R428-W430 PolarHBondContact O-N 2.91Å; W430-K434 PolarHBondContact O-N 3.21Å
431	S	52.1	Low	54.5	Low	70 Å²	70	130.9 Å²	130.9	49%	0.49	60%	0.597	S	S	.	*	H	α-helix	trans	-69	-44	171.8	-161	0	0	0	0	111.5	E427 R428 E433 K434 D435	E427-S431 PolarHBondContact O-N 2.97Å; R428-S431 PolarHBondContact O-N 3.39Å; R428-S431 VanDerWaalsContact O-N 3.14Å; S431-E433 VanDerWaalsContact C-N 3.26Å; S431-E433 PolarHBondContact O-N 2.96Å; S431-K434 PolarHBondContact O-N 3.44Å; S431-D435 PolarHBondContact O-N 2.83Å
432	E	54.7	Low	55.6	Low	104 Å²	104	135.9 Å²	135.9	49%	0.486	60%	0.599	S	S	.	*	H	α-helix	trans	-66.6	-26	-179.3	-118.7	-167.7	90.8	0	0	113.2	R428 R436	R428-E432 WeakPolarHBondContact O-CB 3.37Å; R428-E432 PolarHBondContact O-N 2.93Å; E432-R436 VanDerWaalsContact CB-NH1 3.33Å; E432-R436 VanDerWaalsContact CG-NH1 3.35Å; E432-R436 VanDerWaalsContact O-CG 3.28Å; E432-R436 WeakPolarHBondContact O-CG 3.39Å; E432-R436 PolarHBondContact O-N 2.88Å; E432-R436 PolarHBondContact O-NH1 3.38Å; E432-R436 IonicContact OE1-CZ 2.89Å; E432-R436 IonicContact OE1-NH1 3.84Å; E432-R436 PolarHBondContact OE1-NH1 2.95Å; E432-R436 IonicContact OE1-NH2 3.48Å; E432-R436 PolarHBondContact OE1-NH2 3.31Å
433	E	54.8	Low	56.7	Low	120 Å²	120	136.3 Å²	136.3	56%	0.561	59%	0.588	S	S	*	*	H	α-helix	trans	-74.5	-46	172.3	-173.5	159.8	-144.6	0	0	111.2	S429 S431 D435 R436 E437	S429-E433 PolarHBondContact O-N 3.21Å; S429-E433 VanDerWaalsContact O-N 3.16Å; S431-E433 VanDerWaalsContact C-N 3.26Å; S431-E433 PolarHBondContact O-N 2.96Å; E433-D435 PolarHBondContact O-N 3.37Å; E433-R436 WeakPolarHBondContact O-CB 3.43Å; E433-R436 PolarHBondContact O-N 3.12Å; E433-E437 PolarHBondContact O-N 3.24Å
434	K	59.9	Low	57.9	Low	129 Å²	129	134.7 Å²	134.7	56%	0.561	58%	0.582	S	S	*	*	H	α-helix	trans	-65.4	-35.5	-179.8	-164.5	168.1	-170.2	167.9	0	113.6	W430 S431 E437 R438	W430-K434 PolarHBondContact O-N 3.21Å; S431-K434 PolarHBondContact O-N 3.44Å; K434-E437 PolarHBondContact O-N 2.99Å; K434-R438 PolarHBondContact O-N 2.89Å
435	D	61.6	Low	59	Low	75 Å²	75	131.6 Å²	131.6	40%	0.401	58%	0.576	S	S	.	*	H	α-helix	trans	-78.5	-25.7	174.9	-73.2	-39.5	0	0	0	112.9	S431 E433 R438 S439	S431-D435 PolarHBondContact O-N 2.83Å; E433-D435 PolarHBondContact O-N 3.37Å; D435-R438 IonicContact OD1-NH1 2.64Å; D435-S439 WeakPolarHBondContact O-CB 3.22Å; D435-S439 PolarHBondContact O-N 3.4Å; D435-S439 PolarHBondContact O-OG 3.02Å
436	R	66.3	Low	60	Low	119 Å²	119	130.8 Å²	130.8	45%	0.449	57%	0.572	S	S	.	*	H	α-helix	trans	-67.4	-39.5	166	-79.4	178.4	-178.1	85.1	-4.2	111.8	E432 E433 S439 R440	E432-R436 VanDerWaalsContact CB-NH1 3.33Å; E432-R436 VanDerWaalsContact CG-NH1 3.35Å; E432-R436 VanDerWaalsContact O-CG 3.28Å; E432-R436 WeakPolarHBondContact O-CG 3.39Å; E432-R436 PolarHBondContact O-N 2.88Å; E432-R436 PolarHBondContact O-NH1 3.38Å; E432-R436 IonicContact OE1-CZ 2.89Å; E432-R436 IonicContact OE1-NH1 3.84Å; E432-R436 PolarHBondContact OE1-NH1 2.95Å; E432-R436 IonicContact OE1-NH2 3.48Å; E432-R436 PolarHBondContact OE1-NH2 3.31Å; E433-R436 WeakPolarHBondContact O-CB 3.43Å; E433-R436 PolarHBondContact O-N 3.12Å; R436-S439 PolarHBondContact O-N 2.86Å; R436-R440 WeakPolarHBondContact O-CG 3.31Å; R436-R440 PolarHBondContact O-N 3.04Å
437	E	65.5	Low	60.8	Low	131 Å²	131	126.2 Å²	126.2	61%	0.612	56%	0.561	S	S	*	*	H	α-helix	trans	-62.5	-51.1	175.5	-173.4	166.1	-124.8	0	0	111.7	E433 K434 S439 R440 E441	E433-E437 PolarHBondContact O-N 3.24Å; K434-E437 PolarHBondContact O-N 2.99Å; E437-S439 PolarHBondContact O-N 2.95Å; E437-R440 PolarHBondContact O-N 2.64Å; E437-R440 VanDerWaalsContact O-N 3.13Å; E437-E441 WeakPolarHBondContact O-CB 3.17Å; E437-E441 PolarHBondContact O-N 3.16Å
438	R	65.9	Low	62	Low	121 Å²	121	124.9 Å²	124.9	46%	0.457	56%	0.555	S	S	.	*	H	α-helix	trans	-57.8	-29	172.4	-79.4	173.2	157.9	176.3	-6.3	114.4	K434 D435 R442	K434-R438 PolarHBondContact O-N 2.89Å; D435-R438 IonicContact OD1-NH1 2.64Å; R438-R442 VanDerWaalsContact O-CG 3.3Å; R438-R442 WeakPolarHBondContact O-CG 2.99Å; R438-R442 PolarHBondContact O-N 3.48Å; R438-R442 VanDerWaalsContact O-N 3.16Å
439	S	70.4	Confident	62.9	Low	66 Å²	66	123.8 Å²	123.8	46%	0.462	55%	0.55	S	S	.	*	H	α-helix	trans	-71.9	-46.2	175.9	-60.9	0	0	0	0	110.9	D435 R436 E437 E441 R442 E443	D435-S439 WeakPolarHBondContact O-CB 3.22Å; D435-S439 PolarHBondContact O-N 3.4Å; D435-S439 PolarHBondContact O-OG 3.02Å; R436-S439 PolarHBondContact O-N 2.86Å; E437-S439 PolarHBondContact O-N 2.95Å; S439-E441 VanDerWaalsContact C-N 3.31Å; S439-E441 PolarHBondContact O-N 3.22Å; S439-R442 PolarHBondContact O-N 3.4Å; S439-E443 WeakPolarHBondContact O-CB 3.14Å; S439-E443 PolarHBondContact O-N 3.02Å
440	R	71.2	Confident	63.7	Low	133 Å²	133	125.3 Å²	125.3	50%	0.502	55%	0.553	S	S	.	*	H	α-helix	trans	-64.1	-33.8	174.4	-65.8	165.3	-176.5	142.3	-4.1	112.6	R436 E437 E443 R444	R436-R440 WeakPolarHBondContact O-CG 3.31Å; R436-R440 PolarHBondContact O-N 3.04Å; E437-R440 PolarHBondContact O-N 2.64Å; E437-R440 VanDerWaalsContact O-N 3.13Å; R440-E443 PolarHBondContact O-N 3.38Å; R440-R444 VanDerWaalsContact O-CG 3.27Å; R440-R444 WeakPolarHBondContact O-CG 3.48Å; R440-R444 PolarHBondContact O-N 3.45Å
441	E	65.9	Low	64.3	Low	115 Å²	115	125.9 Å²	125.9	54%	0.537	56%	0.555	S	S	.	*	H	α-helix	trans	-64.2	-46.8	174.1	-176.7	179.6	-136.3	0	0	111.5	E437 S439 E443 R444 H445	E437-E441 WeakPolarHBondContact O-CB 3.17Å; E437-E441 PolarHBondContact O-N 3.16Å; S439-E441 VanDerWaalsContact C-N 3.31Å; S439-E441 PolarHBondContact O-N 3.22Å; E441-E443 VanDerWaalsContact C-N 3.33Å; E441-E443 PolarHBondContact O-N 3.07Å; E441-R444 PolarHBondContact O-N 3.42Å; E441-H445 PolarHBondContact O-N 2.94Å
442	R	69.6	Low	64.3	Low	160 Å²	160	131.2 Å²	131.2	60%	0.604	57%	0.566	S	S	*	*	H	α-helix	trans	-65.1	-34.4	174.5	-72.9	172.2	-179.4	135.5	-3.8	113.2	R438 S439 H445 R446	R438-R442 VanDerWaalsContact O-CG 3.3Å; R438-R442 WeakPolarHBondContact O-CG 2.99Å; R438-R442 PolarHBondContact O-N 3.48Å; R438-R442 VanDerWaalsContact O-N 3.16Å; S439-R442 PolarHBondContact O-N 3.4Å; R442-H445 PolarHBondContact O-N 3.44Å; R442-R446 PolarHBondContact O-N 3.4Å
443	E	67.2	Low	64.1	Low	122 Å²	122	138.3 Å²	138.3	57%	0.57	59%	0.588	S	S	*	*	H	α-helix	trans	-64.5	-51.6	175.6	-168	164.2	-124.8	0	0	110.7	S439 R440 E441 H445 R446 D447	S439-E443 WeakPolarHBondContact O-CB 3.14Å; S439-E443 PolarHBondContact O-N 3.02Å; R440-E443 PolarHBondContact O-N 3.38Å; E441-E443 VanDerWaalsContact C-N 3.33Å; E441-E443 PolarHBondContact O-N 3.07Å; E443-H445 PolarHBondContact O-N 2.9Å; E443-R446 WeakPolarHBondContact O-CA 3.43Å; E443-R446 WeakPolarHBondContact O-CB 3.34Å; E443-R446 PolarHBondContact O-N 2.93Å; E443-D447 PolarHBondContact O-N 2.9Å
444	R	69.4	Low	64.6	Low	182 Å²	182	139.2 Å²	139.2	69%	0.687	59%	0.59	S	S	*	*	H	α-helix	trans	-56.3	-37.3	171.6	-68.1	170.1	-166.9	-166.5	4.6	112.7	R440 E441 R446 D447 H448	R440-R444 VanDerWaalsContact O-CG 3.27Å; R440-R444 WeakPolarHBondContact O-CG 3.48Å; R440-R444 PolarHBondContact O-N 3.45Å; E441-R444 PolarHBondContact O-N 3.42Å; R444-R446 VanDerWaalsContact C-N 3.31Å; R444-R446 PolarHBondContact O-N 3.37Å; R444-D447 PolarHBondContact O-N 2.88Å; R444-H448 WeakPolarHBondContact O-CB 3.48Å; R444-H448 PolarHBondContact O-N 2.88Å
445	H	68.9	Low	64.8	Low	142 Å²	142	139.7 Å²	139.7	66%	0.657	59%	0.591	S	S	*	*	H	α-helix	trans	-70.4	-22.6	176.1	-106.1	-70.7	0	0	0	114.2	E441 R442 E443 R449	E441-H445 PolarHBondContact O-N 2.94Å; R442-H445 PolarHBondContact O-N 3.44Å; E443-H445 PolarHBondContact O-N 2.9Å; H445-R449 WeakPolarHBondContact O-CB 3.45Å; H445-R449 PolarHBondContact O-N 3.4Å
446	R	65.3	Low	65	Low	182 Å²	182	143.3 Å²	143.3	69%	0.687	60%	0.602	S	S	*	*	H	α-helix	trans	-78.2	-50	168.3	-73.3	176.7	174.8	170.5	-3.1	110.6	R442 E443 R444 H448 R449 D450	R442-R446 PolarHBondContact O-N 3.4Å; E443-R446 WeakPolarHBondContact O-CA 3.43Å; E443-R446 WeakPolarHBondContact O-CB 3.34Å; E443-R446 PolarHBondContact O-N 2.93Å; R444-R446 VanDerWaalsContact C-N 3.31Å; R444-R446 PolarHBondContact O-N 3.37Å; R446-H448 PolarHBondContact O-N 2.89Å; R446-R449 CarbonylContact O-C 3.44Å; R446-R449 WeakPolarHBondContact O-CA 3.29Å; R446-R449 WeakPolarHBondContact O-CB 3.42Å; R446-R449 PolarHBondContact O-N 3.4Å; R446-D450 PolarHBondContact O-N 3.15Å
447	D	64.7	Low	64.9	Low	90 Å²	90	144.8 Å²	144.8	48%	0.481	61%	0.611	S	S	.	*	H	α-helix	trans	-54.7	-39.2	177.3	-69.6	-4.1	0	0	0	112.4	E443 R444 R449 R451	E443-D447 PolarHBondContact O-N 2.9Å; R444-D447 PolarHBondContact O-N 2.88Å; D447-R449 VanDerWaalsContact C-N 3.34Å; D447-R451 WeakPolarHBondContact O-CB 3.46Å; D447-R451 PolarHBondContact O-N 2.99Å; D447-R451 VanDerWaalsContact O-N 3.12Å
448	H	67.4	Low	64.9	Low	119 Å²	119	145.6 Å²	145.6	55%	0.551	61%	0.61	S	S	*	*	H	α-helix	trans	-74.1	-23	176.5	-160	-46.4	0	0	0	112.9	R444 R446 Y452	R444-H448 WeakPolarHBondContact O-CB 3.48Å; R444-H448 PolarHBondContact O-N 2.88Å; R446-H448 PolarHBondContact O-N 2.89Å; H448-Y452 AromaticContact CE1-CD2 3.76Å; H448-Y452 AromaticContact CE1-CE2 3.42Å; H448-Y452 VanDerWaalsContact CE1-CE2 3.42Å; H448-Y452 WeakPolarHBondContact CE1-CE2 3.34Å; H448-Y452 AromaticContact ND1-CD2 3.64Å; H448-Y452 AromaticContact ND1-CE2 3.74Å; H448-Y452 WeakPolarHBondContact O-CD2 3.16Å
449	R	64.6	Low	64.8	Low	168 Å²	168	147.3 Å²	147.3	63%	0.634	62%	0.621	S	S	*	*	H	α-helix	trans	-81.6	-41.1	175.6	-171.4	172.8	-173.1	-102.3	5.8	111.7	H445 R446 D447 R451 Y452	H445-R449 WeakPolarHBondContact O-CB 3.45Å; H445-R449 PolarHBondContact O-N 3.4Å; R446-R449 CarbonylContact O-C 3.44Å; R446-R449 WeakPolarHBondContact O-CA 3.29Å; R446-R449 WeakPolarHBondContact O-CB 3.42Å; R446-R449 PolarHBondContact O-N 3.4Å; D447-R449 VanDerWaalsContact C-N 3.34Å; R449-R451 VanDerWaalsContact C-N 3.32Å; R449-Y452 PolarHBondContact O-N 3.4Å
450	D	65.1	Low	64.4	Low	100 Å²	100	153.1 Å²	153.1	54%	0.535	63%	0.632	S	S	.	*	H	α-helix	trans	-82.5	-10.5	-177.8	-60.6	-29	0	0	0	112.5	R446	R446-D450 PolarHBondContact O-N 3.15Å
451	R	59.5	Low	63.9	Low	196 Å²	196	154.6 Å²	154.6	74%	0.74	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-8.5	168.2	-165.6	179.8	-59.2	-157.3	1	114.1	D447 R449	D447-R451 WeakPolarHBondContact O-CB 3.46Å; D447-R451 PolarHBondContact O-N 2.99Å; D447-R451 VanDerWaalsContact O-N 3.12Å; R449-R451 VanDerWaalsContact C-N 3.32Å
452	Y	52.2	Low	63.7	Low	181 Å²	181	157.9 Å²	157.9	71%	0.71	65%	0.651	S	S	*	*			trans	-127.5	37.8	-179.3	-76.1	-90.7	0	0	0	111.3	H448 R449	H448-Y452 AromaticContact CE1-CD2 3.76Å; H448-Y452 AromaticContact CE1-CE2 3.42Å; H448-Y452 VanDerWaalsContact CE1-CE2 3.42Å; H448-Y452 WeakPolarHBondContact CE1-CE2 3.34Å; H448-Y452 AromaticContact ND1-CD2 3.64Å; H448-Y452 AromaticContact ND1-CE2 3.74Å; H448-Y452 WeakPolarHBondContact O-CD2 3.16Å; R449-Y452 PolarHBondContact O-N 3.4Å
453	R	51	Low	63.2	Low	253 Å²	253	157.7 Å²	157.7	96%	0.955	66%	0.655	S	S	*	*			trans	-142.6	0	-179.9	-167.9	177.1	-170.3	-136.4	-3.1	111.2

Retrieved 453 of 453 residues in 442.5 ms (Link to these results)

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