A0A3Q0KNY1_SCHMA Loading...

Putative nucleobindin

AlphaFold DB , UniProt , Accession A0A3Q0KNY1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 369 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	30.6	Very low	30.8	Very low	234 Å²	234	155.9 Å²	155.9	100%	1.153	82%	0.82	S	S	*	*				0	91	0	-86.9	167.9	158.3	0	0	107
2	I	31.5	Very low	30.4	Very low	163 Å²	163	163 Å²	163	84%	0.836	83%	0.827	S	S	*	*				61.8	89.4	84	-56.5	178.3	0	0	0	111.8
3	C	28.3	Very low	30.7	Very low	106 Å²	106	161 Å²	161	72%	0.716	83%	0.828	S	S	*	*				78.7	143.1	116.2	-115.6	0	0	0	0	123
4	F	30.3	Very low	30.7	Very low	182 Å²	182	168.3 Å²	168.3	80%	0.798	84%	0.84	S	S	*	*			trans	88.3	111.1	158.2	-82.2	-84.1	0	0	0	121.8
5	S	33.4	Very low	31.1	Very low	101 Å²	101	161.9 Å²	161.9	71%	0.706	83%	0.834	S	S	*	*				150.1	116.9	96.9	-165	0	0	0	0	115.4
6	L	27.7	Very low	31.4	Very low	154 Å²	154	159.6 Å²	159.6	81%	0.806	83%	0.832	S	S	*	*			trans	32.5	130	138.9	-80.6	124.4	0	0	0	124.8
7	S	29.5	Very low	31.5	Very low	107 Å²	107	156.2 Å²	156.2	75%	0.748	83%	0.826	S	S	*	*			trans	82.3	112.8	130.3	-165.3	0	0	0	0	121.3
8	K	35.9	Very low	31.3	Very low	194 Å²	194	159.2 Å²	159.2	84%	0.843	82%	0.824	S	S	*	*			trans	-136.4	104.8	152.2	-93.7	-177.5	175.9	179.4	0	108.6
9	Q	33.7	Very low	31.2	Very low	161 Å²	161	162.3 Å²	162.3	75%	0.752	82%	0.824	S	S	*	*				75.4	97.4	104.8	-76	-164.9	-19.7	0	0	115.7
10	L	27.2	Very low	31	Very low	161 Å²	161	165.4 Å²	165.4	84%	0.843	83%	0.827	S	S	*	*			trans	-88.5	126	156.7	-115.3	85	0	0	0	109
11	N	30.3	Very low	30.8	Very low	152 Å²	152	165.5 Å²	165.5	81%	0.813	83%	0.829	S	S	*	*			trans	-86.4	138.9	173.2	-83.6	-28.2	0	0	0	111.3
12	W	26.5	Very low	30.9	Very low	241 Å²	241	163.4 Å²	163.4	91%	0.913	81%	0.814	S	S	*	*			trans	-110.5	137.9	168.9	-79.2	80.2	0	0	0	110.1
13	T	34.8	Very low	30.7	Very low	137 Å²	137	162.8 Å²	162.8	84%	0.84	81%	0.811	S	S	*	*			trans	-129.2	134	165.3	49.8	0	0	0	0	110.5
14	R	30.3	Very low	31.1	Very low	263 Å²	263	166.4 Å²	166.4	99%	0.992	82%	0.818	S	S	*	*			trans	-89	143.5	178.3	-84.4	176.9	167.4	162.1	-3.7	111.9
15	G	36.4	Very low	31.4	Very low	72 Å²	72	161.2 Å²	161.2	74%	0.742	80%	0.804	S	S	*	*			trans	-159.3	139.8	158.4	0	0	0	0	0	109.9
16	P	36.2	Very low	31.5	Very low	125 Å²	125	162.1 Å²	162.1	81%	0.812	80%	0.8	S	S	*	*			trans	-102.6	148.8	-164.5	36.9	-29.4	0	0	0	114.2
17	S	32.9	Very low	32.2	Very low	103 Å²	103	159.7 Å²	159.7	72%	0.72	79%	0.791	S	S	*	*			trans	133.7	127.6	136.5	77.9	0	0	0	0	115.6
18	W	28.1	Very low	32.8	Very low	209 Å²	209	158.8 Å²	158.8	79%	0.792	78%	0.781	S	S	*	*			trans	82.9	120.4	161	-62.8	91	0	0	0	121.6
19	W	28.9	Very low	33.2	Very low	219 Å²	219	153 Å²	153	83%	0.83	76%	0.762	S	S	*	*			trans	82.6	97.9	162.6	-52.2	100.3	0	0	0	120
20	Y	27.9	Very low	33.8	Very low	223 Å²	223	148.3 Å²	148.3	88%	0.875	75%	0.747	S	S	*	*			trans	-83.9	155.1	149.7	-107.3	-94.2	0	0	0	109.9
21	L	27.4	Very low	34.6	Very low	168 Å²	168	147.1 Å²	147.1	88%	0.88	74%	0.737	S	S	*	*			trans	94.3	73	170.3	-68.9	132.9	0	0	0	117.7
22	K	30.9	Very low	35.4	Very low	190 Å²	190	145.9 Å²	145.9	83%	0.826	73%	0.728	S	S	*	*			trans	-168.3	83.3	132.4	-126.4	176.1	-179.2	178.6	0	111.2
23	L	27.9	Very low	36.6	Very low	151 Å²	151	138.9 Å²	138.9	79%	0.791	71%	0.708	S	S	*	*			trans	-149.6	38.9	177.3	-116	142.9	0	0	0	114
24	E	36.2	Very low	37.4	Very low	181 Å²	181	137.6 Å²	137.6	85%	0.846	69%	0.694	S	S	*	*	S	Bend	trans	-112.3	-0.7	165.8	-75.8	-172.6	163.5	0	0	113.2
25	S	37.1	Very low	38.3	Very low	73 Å²	73	131.1 Å²	131.1	51%	0.51	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.6	4.9	-175.2	75.7	0	0	0	0	115.6	V29	S25-V29 WeakPolarHBondContact O-CG2 3.32Å
26	L	36	Very low	39	Very low	121 Å²	121	130 Å²	130	63%	0.634	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-29.9	-179.1	-83.1	162	0	0	0	113.5	V29 S30	L26-V29 PolarHBondContact O-N 3.14Å; L26-S30 PolarHBondContact O-N 3.28Å; L26-S30 VanDerWaalsContact O-N 3.16Å
27	V	42.1	Very low	39.5	Very low	102 Å²	102	129.1 Å²	129.1	62%	0.618	65%	0.645	S	S	*	*	H	α-helix	trans	-72.7	-39.6	175.8	-179.2	0	0	0	0	110.8	V29 S30 E31	V27-V29 VanDerWaalsContact C-N 3.3Å; V27-V29 PolarHBondContact O-N 3.35Å; V27-S30 PolarHBondContact O-N 2.66Å; V27-E31 PolarHBondContact O-N 3.09Å; V27-E31 VanDerWaalsContact O-N 3.14Å
28	V	42.5	Very low	40.2	Very low	88 Å²	88	130.1 Å²	130.1	53%	0.533	64%	0.637	S	S	.	*	H	α-helix	trans	-66.8	-32.1	176	-176.2	0	0	0	0	111.7	M32	V28-M32 HydrophobicContact CG1-CG 4.14Å; V28-M32 WeakPolarHBondContact O-CB 3.42Å; V28-M32 WeakPolarHBondContact O-CG 3.26Å; V28-M32 PolarHBondContact O-N 2.87Å
29	V	43.4	Very low	40.9	Very low	72 Å²	72	124.7 Å²	124.7	44%	0.436	62%	0.623	S	S	.	*	H	α-helix	trans	-75.8	-33	178.6	176.7	0	0	0	0	111.4	S25 L26 V27 I33	S25-V29 WeakPolarHBondContact O-CG2 3.32Å; L26-V29 PolarHBondContact O-N 3.14Å; V27-V29 VanDerWaalsContact C-N 3.3Å; V27-V29 PolarHBondContact O-N 3.35Å; V29-I33 HydrophobicContact CG1-CD1 3.59Å; V29-I33 HydrophobicContact CG1-CG1 4.23Å; V29-I33 VanDerWaalsContact O-CB 3.3Å; V29-I33 WeakPolarHBondContact O-CB 3.25Å; V29-I33 WeakPolarHBondContact O-CD1 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.42Å; V29-I33 PolarHBondContact O-N 2.97Å
30	S	46.3	Very low	41.5	Very low	64 Å²	64	120.4 Å²	120.4	45%	0.448	62%	0.615	S	S	.	*	H	α-helix	trans	-63.8	-46.4	171.3	178.4	0	0	0	0	111.9	L26 V27 I34	L26-S30 PolarHBondContact O-N 3.28Å; L26-S30 VanDerWaalsContact O-N 3.16Å; V27-S30 PolarHBondContact O-N 2.66Å; S30-I34 WeakPolarHBondContact O-CB 3.45Å; S30-I34 WeakPolarHBondContact O-CD1 3.46Å; S30-I34 WeakPolarHBondContact O-CG1 3.39Å; S30-I34 PolarHBondContact O-N 3.43Å
31	E	44.7	Very low	42.1	Very low	136 Å²	136	114.2 Å²	114.2	64%	0.636	60%	0.601	S	S	*	*	H	α-helix	trans	-70.8	-37.3	178.8	-70.2	-169.2	167.1	0	0	112.1	V27 I34 F35	V27-E31 PolarHBondContact O-N 3.09Å; V27-E31 VanDerWaalsContact O-N 3.14Å; E31-I34 PolarHBondContact O-N 3.12Å; E31-F35 WeakPolarHBondContact O-CB 3.48Å; E31-F35 PolarHBondContact O-N 3.27Å
32	M	46.1	Very low	42.7	Very low	126 Å²	126	110.2 Å²	110.2	62%	0.621	58%	0.579	S	S	*	*	H	α-helix	trans	-68.7	-32.8	175.4	-73.2	-74.2	-69.4	0	0	112.9	V28 A36	V28-M32 HydrophobicContact CG1-CG 4.14Å; V28-M32 WeakPolarHBondContact O-CB 3.42Å; V28-M32 WeakPolarHBondContact O-CG 3.26Å; V28-M32 PolarHBondContact O-N 2.87Å; M32-A36 WeakPolarHBondContact O-CB 3.32Å; M32-A36 PolarHBondContact O-N 3.29Å
33	I	53.4	Low	42.8	Very low	94 Å²	94	108 Å²	108	48%	0.482	58%	0.577	S	S	.	*	H	α-helix	trans	-73.4	-37.7	174.2	-70.1	168.2	0	0	0	110.4	V29 A36 L37	V29-I33 HydrophobicContact CG1-CD1 3.59Å; V29-I33 HydrophobicContact CG1-CG1 4.23Å; V29-I33 VanDerWaalsContact O-CB 3.3Å; V29-I33 WeakPolarHBondContact O-CB 3.25Å; V29-I33 WeakPolarHBondContact O-CD1 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.42Å; V29-I33 PolarHBondContact O-N 2.97Å; I33-A36 PolarHBondContact O-N 3.05Å; I33-L37 HydrophobicContact CG2-CD1 3.92Å; I33-L37 HydrophobicContact CG2-CG 4.39Å; I33-L37 VanDerWaalsContact O-CB 3.29Å; I33-L37 WeakPolarHBondContact O-CB 3.24Å; I33-L37 WeakPolarHBondContact O-CG 3.09Å; I33-L37 PolarHBondContact O-N 3.14Å
34	I	51.2	Low	43.2	Very low	109 Å²	109	110.8 Å²	110.8	56%	0.559	58%	0.578	S	S	*	*	H	α-helix	trans	-66.8	-40.7	174	-67.8	166.1	0	0	0	110.5	S30 E31 F38	S30-I34 WeakPolarHBondContact O-CB 3.45Å; S30-I34 WeakPolarHBondContact O-CD1 3.46Å; S30-I34 WeakPolarHBondContact O-CG1 3.39Å; S30-I34 PolarHBondContact O-N 3.43Å; E31-I34 PolarHBondContact O-N 3.12Å; I34-F38 VanDerWaalsContact O-CB 3.27Å; I34-F38 WeakPolarHBondContact O-CB 3.5Å; I34-F38 PolarHBondContact O-N 3.48Å
35	F	48.4	Very low	42.9	Very low	128 Å²	128	106.2 Å²	106.2	56%	0.561	56%	0.559	S	S	*	*	H	α-helix	trans	-71.8	-34	175.3	-126.6	-90.6	0	0	0	112.9	E31 F38 L39	E31-F35 WeakPolarHBondContact O-CB 3.48Å; E31-F35 PolarHBondContact O-N 3.27Å; F35-F38 PolarHBondContact O-N 3.18Å; F35-L39 HydrophobicContact CD1-CD1 4.06Å; F35-L39 HydrophobicContact CD1-CG 4.35Å; F35-L39 WeakPolarHBondContact O-CB 3.23Å; F35-L39 VanDerWaalsContact O-CG 3.32Å; F35-L39 WeakPolarHBondContact O-CG 3.21Å; F35-L39 PolarHBondContact O-N 3.18Å
36	A	50.7	Low	42.7	Very low	47 Å²	47	109.2 Å²	109.2	39%	0.388	57%	0.574	S	S	.	*	H	α-helix	trans	-73.1	-33.1	175	0	0	0	0	0	112	M32 I33 L40	M32-A36 WeakPolarHBondContact O-CB 3.32Å; M32-A36 PolarHBondContact O-N 3.29Å; I33-A36 PolarHBondContact O-N 3.05Å; A36-L40 VanDerWaalsContact O-CB 3.24Å; A36-L40 WeakPolarHBondContact O-CB 3.21Å; A36-L40 PolarHBondContact O-N 3.1Å
37	L	47.4	Very low	42.5	Very low	107 Å²	107	108.1 Å²	108.1	56%	0.56	58%	0.576	S	S	*	*	H	α-helix	trans	-70.1	-37.7	169.3	-72.9	169.7	0	0	0	111	I33 L40 T41	I33-L37 HydrophobicContact CG2-CD1 3.92Å; I33-L37 HydrophobicContact CG2-CG 4.39Å; I33-L37 VanDerWaalsContact O-CB 3.29Å; I33-L37 WeakPolarHBondContact O-CB 3.24Å; I33-L37 WeakPolarHBondContact O-CG 3.09Å; I33-L37 PolarHBondContact O-N 3.14Å; L37-L40 PolarHBondContact O-N 3.23Å; L37-T41 WeakPolarHBondContact O-CG2 3.38Å; L37-T41 PolarHBondContact O-N 3.23Å; L37-T41 PolarHBondContact O-OG1 2.92Å
38	F	47.7	Very low	42	Very low	125 Å²	125	108.4 Å²	108.4	55%	0.548	58%	0.578	S	S	.	*	H	α-helix	trans	-65.9	-35.5	173.3	-158.9	-101.9	0	0	0	112.4	I34 F35 T41 I42	I34-F38 VanDerWaalsContact O-CB 3.27Å; I34-F38 WeakPolarHBondContact O-CB 3.5Å; I34-F38 PolarHBondContact O-N 3.48Å; F35-F38 PolarHBondContact O-N 3.18Å; F38-T41 WeakPolarHBondContact CA-OG1 3.44Å; F38-T41 PolarHBondContact O-OG1 3.19Å; F38-I42 HydrophobicContact CD1-CD1 3.64Å; F38-I42 HydrophobicContact CE1-CD1 3.55Å; F38-I42 HydrophobicContact CG-CD1 4.45Å; F38-I42 HydrophobicContact CZ-CD1 4.32Å; F38-I42 WeakPolarHBondContact O-CB 3.49Å; F38-I42 VanDerWaalsContact O-CD1 3.29Å; F38-I42 WeakPolarHBondContact O-CD1 3.47Å; F38-I42 WeakPolarHBondContact O-CG1 3.18Å; F38-I42 PolarHBondContact O-N 2.9Å
39	L	42	Very low	41.6	Very low	94 Å²	94	108.3 Å²	108.3	49%	0.492	58%	0.579	S	S	.	*	H	α-helix	trans	-81.4	-29.7	175.2	-72.9	171.3	0	0	0	113.3	F35 T41 I42 N43	F35-L39 HydrophobicContact CD1-CD1 4.06Å; F35-L39 HydrophobicContact CD1-CG 4.35Å; F35-L39 WeakPolarHBondContact O-CB 3.23Å; F35-L39 VanDerWaalsContact O-CG 3.32Å; F35-L39 WeakPolarHBondContact O-CG 3.21Å; F35-L39 PolarHBondContact O-N 3.18Å; L39-T41 VanDerWaalsContact C-N 3.33Å; L39-I42 PolarHBondContact O-N 2.7Å; L39-N43 WeakPolarHBondContact O-CB 3.47Å; L39-N43 PolarHBondContact O-N 3.24Å
40	L	41.5	Very low	41.2	Very low	130 Å²	130	110.8 Å²	110.8	68%	0.681	59%	0.594	S	S	*	*	H	α-helix	trans	-71.9	-27.1	171.8	-97	154	0	0	0	112.4	A36 L37	A36-L40 VanDerWaalsContact O-CB 3.24Å; A36-L40 WeakPolarHBondContact O-CB 3.21Å; A36-L40 PolarHBondContact O-N 3.1Å; L37-L40 PolarHBondContact O-N 3.23Å
41	T	40.6	Very low	40.6	Very low	93 Å²	93	114 Å²	114	57%	0.571	61%	0.605	S	S	*	*	H	α-helix	trans	-76.2	-26.1	168.1	50.2	0	0	0	0	112.8	L37 F38 L39	L37-T41 WeakPolarHBondContact O-CG2 3.38Å; L37-T41 PolarHBondContact O-N 3.23Å; L37-T41 PolarHBondContact O-OG1 2.92Å; F38-T41 WeakPolarHBondContact CA-OG1 3.44Å; F38-T41 PolarHBondContact O-OG1 3.19Å; L39-T41 VanDerWaalsContact C-N 3.33Å
42	I	39.7	Very low	40.4	Very low	83 Å²	83	109.2 Å²	109.2	43%	0.426	59%	0.586	S	S	.	*	H	α-helix	trans	-87.3	-25	179.7	-69.8	169.2	0	0	0	112.5	F38 L39	F38-I42 HydrophobicContact CD1-CD1 3.64Å; F38-I42 HydrophobicContact CE1-CD1 3.55Å; F38-I42 HydrophobicContact CG-CD1 4.45Å; F38-I42 HydrophobicContact CZ-CD1 4.32Å; F38-I42 WeakPolarHBondContact O-CB 3.49Å; F38-I42 VanDerWaalsContact O-CD1 3.29Å; F38-I42 WeakPolarHBondContact O-CD1 3.47Å; F38-I42 WeakPolarHBondContact O-CG1 3.18Å; F38-I42 PolarHBondContact O-N 2.9Å; L39-I42 PolarHBondContact O-N 2.7Å
43	N	33.3	Very low	40.3	Very low	144 Å²	144	108.9 Å²	108.9	77%	0.77	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	10.9	179	-107.9	4.4	0	0	0	115.6	L39	L39-N43 WeakPolarHBondContact O-CB 3.47Å; L39-N43 PolarHBondContact O-N 3.24Å
44	Y	36.8	Very low	40	Very low	210 Å²	210	106.8 Å²	106.8	82%	0.824	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	19.5	163.2	-151.3	-97.9	0	0	0	112.2
45	I	29.9	Very low	40.2	Very low	85 Å²	85	109 Å²	109	44%	0.436	59%	0.591	S	S	.	*			trans	-123.9	69	175.6	-49.1	177.8	0	0	0	108.6
46	V	32.4	Very low	41.2	Very low	136 Å²	136	103.9 Å²	103.9	82%	0.824	57%	0.57	S	S	*	*			trans	-119.6	48.1	141.7	-165.3	0	0	0	0	106.8	V48	V46-V48 PolarHBondContact O-N 2.78Å
47	S	31.8	Very low	42.3	Very low	97 Å²	97	105.7 Å²	105.7	68%	0.678	59%	0.585	S	S	*	*	S	Bend	trans	-77.4	111.4	149.6	-136.9	0	0	0	0	104.3
48	V	32.3	Very low	43.7	Very low	108 Å²	108	103.9 Å²	103.9	66%	0.655	57%	0.573	S	S	*	*			trans	-35.5	128.7	167.7	-179.6	0	0	0	0	107.3	V46 V50	V46-V48 PolarHBondContact O-N 2.78Å; V48-V50 PolarHBondContact O-N 2.96Å
49	P	33.8	Very low	45	Very low	87 Å²	87	98.9 Å²	98.9	57%	0.565	55%	0.552	S	S	*	*			trans	-53.5	117	171.1	23.9	-31.3	0	0	0	104.5	I51	P49-I51 PolarHBondContact O-N 2.62Å
50	V	34.8	Very low	46.4	Very low	124 Å²	124	95.8 Å²	95.8	75%	0.752	54%	0.539	S	S	*	.			trans	-64.2	88.2	172.6	175.2	0	0	0	0	102.9	V48 P52	V48-V50 PolarHBondContact O-N 2.96Å; V50-P52 VanDerWaalsContact C-N 3.33Å; V50-P52 VanDerWaalsContact O-CD 3.23Å; V50-P52 WeakPolarHBondContact O-CD 3.33Å
51	I	33.3	Very low	48	Very low	131 Å²	131	92.5 Å²	92.5	67%	0.672	53%	0.531	S	S	*	.			trans	-55.8	112.1	162.4	-60.2	172.5	0	0	0	100.7	P49 T53	P49-I51 PolarHBondContact O-N 2.62Å; I51-T53 PolarHBondContact O-N 3.18Å
52	P	41.4	Very low	49.3	Very low	36 Å²	36	90.4 Å²	90.4	23%	0.234	52%	0.515	C	S	.	.			trans	-65.2	115.3	-170.6	31.5	-37.6	0	0	0	104.6	V50 F54 K107	V50-P52 VanDerWaalsContact C-N 3.33Å; V50-P52 VanDerWaalsContact O-CD 3.23Å; V50-P52 WeakPolarHBondContact O-CD 3.33Å; P52-F54 HydrophobicContact CG-CE2 4.14Å; P52-F54 VanDerWaalsContact O-CD2 3.22Å; P52-F54 WeakPolarHBondContact O-CD2 3.41Å; P52-F54 PolarHBondContact O-N 3.38Å; P52-K107 HydrophobicContact CB-CD 3.41Å; P52-K107 VanDerWaalsContact CB-CD 3.41Å; P52-K107 VanDerWaalsContact CB-CE 3.44Å; P52-K107 HydrophobicContact CG-CD 3.64Å
53	T	43.6	Very low	50.9	Low	119 Å²	119	86.9 Å²	86.9	73%	0.73	50%	0.496	S	S	*	.			trans	-66.2	106.4	-169.2	46.5	0	0	0	0	106.3	I51	I51-T53 PolarHBondContact O-N 3.18Å
54	F	47.3	Very low	52.7	Low	50 Å²	50	86.2 Å²	86.2	22%	0.219	49%	0.487	C	S	.	.			trans	-77.3	123.4	167.9	-71.9	-85.2	0	0	0	106.8	P52 N56 E59 A60 Y63 K107	P52-F54 HydrophobicContact CG-CE2 4.14Å; P52-F54 VanDerWaalsContact O-CD2 3.22Å; P52-F54 WeakPolarHBondContact O-CD2 3.41Å; P52-F54 PolarHBondContact O-N 3.38Å; F54-N56 WeakPolarHBondContact CB-O 3.44Å; F54-N56 PolarHBondContact O-N 2.95Å; F54-E59 HydrophobicContact CD1-CB 3.6Å; F54-E59 VanDerWaalsContact CE1-C 3.48Å; F54-E59 HydrophobicContact CE1-CB 3.94Å; F54-A60 HydrophobicContact CB-CB 3.9Å; F54-A60 HydrophobicContact CD1-CB 3.96Å; F54-A60 VanDerWaalsContact CD1-N 3.31Å; F54-A60 HydrophobicContact CD2-CB 3.25Å; F54-A60 HydrophobicContact CE1-CB 4.28Å; F54-A60 HydrophobicContact CE2-CB 3.64Å; F54-A60 HydrophobicContact CG-CB 3.42Å; F54-A60 VanDerWaalsContact CG-CB 3.42Å; F54-A60 VanDerWaalsContact CZ-CA 3.48Å; F54-A60 HydrophobicContact CZ-CB 4.14Å; F54-Y63 AromaticContact CZ-CD1 3.94Å; F54-Y63 HydrophobicContact CZ-CD1 3.94Å; F54-Y63 HydrophobicContact CZ-CG 4.29Å; F54-K107 HydrophobicContact CE1-CD 4.44Å; F54-K107 HydrophobicContact CE1-CG 4.28Å; F54-K107 HydrophobicContact CZ-CD 4.09Å; F54-K107 HydrophobicContact CZ-CG 3.92Å
55	D	56.3	Low	54.5	Low	155 Å²	155	82 Å²	82	83%	0.829	47%	0.473	S	S	*	.	S	Bend	trans	-62.7	-20	164.8	-78	-15.5	0	0	0	110.5
56	N	68.1	Low	56.5	Low	21 Å²	21	79.5 Å²	79.5	11%	0.112	46%	0.458	C	S	.	.	S	Bend	trans	-134.2	122.2	-173	-177.8	0.8	0	0	0	113	F54 E58 E59 A60	F54-N56 WeakPolarHBondContact CB-O 3.44Å; F54-N56 PolarHBondContact O-N 2.95Å; N56-E58 PolarHBondContact O-N 3.15Å; N56-E58 VanDerWaalsContact O-N 3.17Å; N56-E58 WeakPolarHBondContact OD1-CB 3.36Å; N56-E58 PolarHBondContact OD1-N 3.25Å; N56-E59 HydrophobicContact CB-CB 4.41Å; N56-E59 HydrophobicContact CB-CG 4.21Å; N56-E59 WeakPolarHBondContact CB-OE1 3.3Å; N56-E59 PolarHBondContact ND2-OE1 3.49Å; N56-E59 PolarHBondContact O-N 3.05Å; N56-A60 PolarHBondContact O-N 3.31Å
57	A	74.5	Confident	58.1	Low	85 Å²	85	75.1 Å²	75.1	70%	0.702	43%	0.43	S	S	*	.	H	α-helix	trans	-60.7	-25.1	179.2	0	0	0	0	0	114.2	A61	A57-A61 PolarHBondContact O-N 3.16Å; A57-A61 VanDerWaalsContact O-N 3.13Å
58	E	77.5	Confident	59.9	Low	69 Å²	69	74.8 Å²	74.8	32%	0.322	42%	0.417	S	S	.	.	H	α-helix	trans	-71.4	-45.3	178.5	-171.1	178.3	-157.4	0	0	112.1	N56 A60 A61 Q62 Y114	N56-E58 PolarHBondContact O-N 3.15Å; N56-E58 VanDerWaalsContact O-N 3.17Å; N56-E58 WeakPolarHBondContact OD1-CB 3.36Å; N56-E58 PolarHBondContact OD1-N 3.25Å; E58-A60 VanDerWaalsContact C-N 3.26Å; E58-A60 PolarHBondContact O-N 3.05Å; E58-A61 PolarHBondContact O-N 3.44Å; E58-A61 VanDerWaalsContact O-N 3.16Å; E58-Q62 PolarHBondContact O-N 3.36Å; E58-Y114 HydrophobicContact CG-CE1 4.48Å; E58-Y114 PolarHBondContact OE1-OH 3.07Å; E58-Y114 PolarHBondContact OE2-OH 3.24Å
59	E	74.9	Confident	61.6	Low	19 Å²	19	74.7 Å²	74.7	9%	0.089	41%	0.41	C	S	.	.	H	α-helix	trans	-58.4	-41.8	174.8	-73	155.6	-142.1	0	0	110.2	F54 N56 A61 Q62 Y63 T111 Y114 K157	F54-E59 HydrophobicContact CD1-CB 3.6Å; F54-E59 VanDerWaalsContact CE1-C 3.48Å; F54-E59 HydrophobicContact CE1-CB 3.94Å; N56-E59 HydrophobicContact CB-CB 4.41Å; N56-E59 HydrophobicContact CB-CG 4.21Å; N56-E59 WeakPolarHBondContact CB-OE1 3.3Å; N56-E59 PolarHBondContact ND2-OE1 3.49Å; N56-E59 PolarHBondContact O-N 3.05Å; E59-A61 PolarHBondContact O-N 2.98Å; E59-Q62 PolarHBondContact O-N 2.88Å; E59-Y63 PolarHBondContact O-N 2.89Å; E59-T111 HydrophobicContact CG-CG2 4.48Å; E59-Y114 HydrophobicContact CG-CD1 3.56Å; E59-Y114 HydrophobicContact CG-CE1 3.82Å; E59-K157 IonicContact OE1-NZ 3.38Å
60	A	70.7	Confident	63.2	Low	29 Å²	29	71.1 Å²	71.1	24%	0.24	39%	0.388	C	S	.	.	H	α-helix	trans	-60	-44.2	175.7	0	0	0	0	0	113.1	F54 N56 E58 K64	F54-A60 HydrophobicContact CB-CB 3.9Å; F54-A60 HydrophobicContact CD1-CB 3.96Å; F54-A60 VanDerWaalsContact CD1-N 3.31Å; F54-A60 HydrophobicContact CD2-CB 3.25Å; F54-A60 HydrophobicContact CE1-CB 4.28Å; F54-A60 HydrophobicContact CE2-CB 3.64Å; F54-A60 HydrophobicContact CG-CB 3.42Å; F54-A60 VanDerWaalsContact CG-CB 3.42Å; F54-A60 VanDerWaalsContact CZ-CA 3.48Å; F54-A60 HydrophobicContact CZ-CB 4.14Å; N56-A60 PolarHBondContact O-N 3.31Å; E58-A60 VanDerWaalsContact C-N 3.26Å; E58-A60 PolarHBondContact O-N 3.05Å; A60-K64 WeakPolarHBondContact O-CB 3.42Å; A60-K64 PolarHBondContact O-N 3.2Å
61	A	73.9	Confident	64.5	Low	61 Å²	61	66.2 Å²	66.2	50%	0.504	36%	0.358	S	S	.	.	H	α-helix	trans	-67.5	-38.8	-179.1	0	0	0	0	0	111.7	A57 E58 E59 K65	A57-A61 PolarHBondContact O-N 3.16Å; A57-A61 VanDerWaalsContact O-N 3.13Å; E58-A61 PolarHBondContact O-N 3.44Å; E58-A61 VanDerWaalsContact O-N 3.16Å; E59-A61 PolarHBondContact O-N 2.98Å; A61-K65 WeakPolarHBondContact O-CB 3.35Å; A61-K65 PolarHBondContact O-N 3.35Å
62	Q	69.2	Low	65.8	Low	49 Å²	49	67.5 Å²	67.5	23%	0.229	36%	0.359	C	S	.	.	H	α-helix	trans	-68	-47	177.3	-72.4	-172.3	13.5	0	0	112.4	E58 E59 K64 K65 Y66	E58-Q62 PolarHBondContact O-N 3.36Å; E59-Q62 PolarHBondContact O-N 2.88Å; Q62-K64 VanDerWaalsContact C-N 3.28Å; Q62-K64 PolarHBondContact O-N 3.06Å; Q62-K65 WeakPolarHBondContact O-CB 3.38Å; Q62-K65 PolarHBondContact O-N 3.46Å; Q62-Y66 PolarHBondContact O-N 3.01Å
63	Y	73.3	Confident	66.5	Low	9 Å²	9	69.9 Å²	69.9	4%	0.035	38%	0.382	C	S	.	.	H	α-helix	trans	-60.5	-41.8	177.3	-177.6	-126.9	0	0	0	111.7	F54 E59 K65 Y66 L67 L93 L97 K107 E110	F54-Y63 AromaticContact CZ-CD1 3.94Å; F54-Y63 HydrophobicContact CZ-CD1 3.94Å; F54-Y63 HydrophobicContact CZ-CG 4.29Å; E59-Y63 PolarHBondContact O-N 2.89Å; Y63-K65 VanDerWaalsContact C-N 3.32Å; Y63-K65 PolarHBondContact O-N 3.46Å; Y63-Y66 HydrophobicContact CD2-CD1 4.08Å; Y63-Y66 HydrophobicContact CE2-CD1 4.02Å; Y63-Y66 HydrophobicContact CE2-CE1 4.41Å; Y63-Y66 WeakPolarHBondContact O-CB 3.3Å; Y63-Y66 PolarHBondContact O-N 3.04Å; Y63-L67 HydrophobicContact CD1-CD1 4.07Å; Y63-L67 HydrophobicContact CD2-CG 4.43Å; Y63-L67 HydrophobicContact CE1-CD1 3.71Å; Y63-L67 HydrophobicContact CE1-CG 4.32Å; Y63-L67 HydrophobicContact CE2-CD1 4.35Å; Y63-L67 HydrophobicContact CE2-CD2 4.1Å; Y63-L67 HydrophobicContact CE2-CG 4.06Å; Y63-L67 WeakPolarHBondContact O-CG 3.42Å; Y63-L67 PolarHBondContact O-N 3.32Å; Y63-L93 HydrophobicContact CE1-CD2 4.01Å; Y63-L97 VanDerWaalsContact OH-CD1 3.27Å; Y63-L97 WeakPolarHBondContact OH-CD1 3.37Å; Y63-K107 HydrophobicContact CD1-CB 4.11Å; Y63-K107 HydrophobicContact CD1-CG 3.78Å; Y63-K107 HydrophobicContact CD2-CB 4.48Å; Y63-K107 HydrophobicContact CE1-CB 3.58Å; Y63-K107 HydrophobicContact CE1-CG 3.74Å; Y63-K107 HydrophobicContact CE2-CB 4.06Å; Y63-K107 HydrophobicContact CG-CG 4.18Å; Y63-K107 PolarHBondContact OH-N 3.38Å; Y63-E110 HydrophobicContact CD2-CB 3.73Å; Y63-E110 HydrophobicContact CD2-CG 3.95Å; Y63-E110 HydrophobicContact CE2-CB 4.34Å
64	K	71.4	Confident	67.3	Low	131 Å²	131	67.3 Å²	67.3	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-58.6	-43.7	173.8	-175.7	-177.6	175.2	-172.8	0	112.1	A60 Q62 L67 E68	A60-K64 WeakPolarHBondContact O-CB 3.42Å; A60-K64 PolarHBondContact O-N 3.2Å; Q62-K64 VanDerWaalsContact C-N 3.28Å; Q62-K64 PolarHBondContact O-N 3.06Å; K64-L67 PolarHBondContact O-N 3.28Å; K64-E68 WeakPolarHBondContact CE-OE1 3.26Å; K64-E68 WeakPolarHBondContact O-CG 3.27Å; K64-E68 PolarHBondContact O-N 3.45Å
65	K	74	Confident	67.9	Low	122 Å²	122	72.2 Å²	72.2	53%	0.53	39%	0.391	S	S	.	.	H	α-helix	trans	-62.1	-45.1	177.2	-175.3	-174.6	171.9	-169.9	0	111.2	A61 Q62 Y63 L67 E68 E69	A61-K65 WeakPolarHBondContact O-CB 3.35Å; A61-K65 PolarHBondContact O-N 3.35Å; Q62-K65 WeakPolarHBondContact O-CB 3.38Å; Q62-K65 PolarHBondContact O-N 3.46Å; Y63-K65 VanDerWaalsContact C-N 3.32Å; Y63-K65 PolarHBondContact O-N 3.46Å; K65-L67 PolarHBondContact O-N 3.37Å; K65-E68 WeakPolarHBondContact O-CB 3.15Å; K65-E68 PolarHBondContact O-N 2.99Å; K65-E68 VanDerWaalsContact O-N 3.1Å; K65-E69 WeakPolarHBondContact CE-OE1 3.5Å; K65-E69 IonicContact NZ-OE1 2.66Å; K65-E69 PolarHBondContact O-N 3.34Å
66	Y	71.4	Confident	67.9	Low	31 Å²	31	66.4 Å²	66.4	12%	0.122	36%	0.362	C	S	.	.	H	α-helix	trans	-56.1	-47.7	174.9	165.3	-95.9	0	0	0	111.6	Q62 Y63 E68 E69 A70 L104 R105 E110	Q62-Y66 PolarHBondContact O-N 3.01Å; Y63-Y66 HydrophobicContact CD2-CD1 4.08Å; Y63-Y66 HydrophobicContact CE2-CD1 4.02Å; Y63-Y66 HydrophobicContact CE2-CE1 4.41Å; Y63-Y66 WeakPolarHBondContact O-CB 3.3Å; Y63-Y66 PolarHBondContact O-N 3.04Å; Y66-E68 PolarHBondContact O-N 3.43Å; Y66-E68 VanDerWaalsContact O-N 3.17Å; Y66-E69 PolarHBondContact O-N 3.06Å; Y66-A70 HydrophobicContact CD2-CB 3.89Å; Y66-A70 HydrophobicContact CE1-CB 4.06Å; Y66-A70 HydrophobicContact CE2-CB 3.37Å; Y66-A70 HydrophobicContact CG-CB 4.41Å; Y66-A70 VanDerWaalsContact CZ-CB 3.46Å; Y66-A70 WeakPolarHBondContact O-CB 3.45Å; Y66-A70 PolarHBondContact O-N 3.44Å; Y66-L104 WeakPolarHBondContact OH-CA 3.43Å; Y66-L104 WeakPolarHBondContact OH-CD2 3.19Å; Y66-R105 HydrophobicContact CE1-CB 4.19Å; Y66-R105 WeakPolarHBondContact CE1-O 3.34Å; Y66-R105 HydrophobicContact CE2-CB 4.25Å; Y66-R105 PolarHBondContact OH-N 3.46Å; Y66-R105 PolarHBondContact OH-O 3.27Å; Y66-E110 HydrophobicContact CG-CG 4.27Å
67	L	66.9	Low	67.5	Low	45 Å²	45	69.1 Å²	69.1	24%	0.236	38%	0.376	C	S	.	.	H	α-helix	trans	-62	-24.4	178	-69.2	175.4	0	0	0	113.9	Y63 K64 K65 P71 L93 L97	Y63-L67 HydrophobicContact CD1-CD1 4.07Å; Y63-L67 HydrophobicContact CD2-CG 4.43Å; Y63-L67 HydrophobicContact CE1-CD1 3.71Å; Y63-L67 HydrophobicContact CE1-CG 4.32Å; Y63-L67 HydrophobicContact CE2-CD1 4.35Å; Y63-L67 HydrophobicContact CE2-CD2 4.1Å; Y63-L67 HydrophobicContact CE2-CG 4.06Å; Y63-L67 WeakPolarHBondContact O-CG 3.42Å; Y63-L67 PolarHBondContact O-N 3.32Å; K64-L67 PolarHBondContact O-N 3.28Å; K65-L67 PolarHBondContact O-N 3.37Å; L67-P71 VanDerWaalsContact O-CD 3.26Å; L67-P71 WeakPolarHBondContact O-CD 3.25Å; L67-L93 HydrophobicContact CD1-CD2 4Å; L67-L97 HydrophobicContact CD2-CD1 4.18Å
68	E	68.2	Low	67	Low	89 Å²	89	69.8 Å²	69.8	42%	0.416	37%	0.373	S	S	.	.	H	α-helix	trans	-82.1	-23.5	175.2	-71.2	178.1	-173.2	0	0	113.2	K64 K65 Y66 K72	K64-E68 WeakPolarHBondContact CE-OE1 3.26Å; K64-E68 WeakPolarHBondContact O-CG 3.27Å; K64-E68 PolarHBondContact O-N 3.45Å; K65-E68 WeakPolarHBondContact O-CB 3.15Å; K65-E68 PolarHBondContact O-N 2.99Å; K65-E68 VanDerWaalsContact O-N 3.1Å; Y66-E68 PolarHBondContact O-N 3.43Å; Y66-E68 VanDerWaalsContact O-N 3.17Å; E68-K72 WeakPolarHBondContact O-CD 3.36Å; E68-K72 WeakPolarHBondContact O-CE 3.38Å; E68-K72 PolarHBondContact O-NZ 3.43Å
69	E	69.6	Low	66.4	Low	106 Å²	106	74.3 Å²	74.3	50%	0.495	39%	0.392	S	S	.	.	H	α-helix	trans	-101.9	-45.5	-174.5	-70.1	178.7	179.6	0	0	112.4	K65 Y66 K72 A73	K65-E69 WeakPolarHBondContact CE-OE1 3.5Å; K65-E69 IonicContact NZ-OE1 2.66Å; K65-E69 PolarHBondContact O-N 3.34Å; Y66-E69 PolarHBondContact O-N 3.06Å; E69-K72 WeakPolarHBondContact O-CB 3.46Å; E69-K72 PolarHBondContact O-N 3.15Å; E69-K72 VanDerWaalsContact O-N 3.1Å; E69-A73 PolarHBondContact O-N 3.29Å
70	A	65.9	Low	65.8	Low	13 Å²	13	76.1 Å²	76.1	11%	0.107	40%	0.404	C	S	.	.	H	α-helix	trans	-58.7	-45.3	-170.8	0	0	0	0	0	113.9	Y66 K72 A73 I74 L104	Y66-A70 HydrophobicContact CD2-CB 3.89Å; Y66-A70 HydrophobicContact CE1-CB 4.06Å; Y66-A70 HydrophobicContact CE2-CB 3.37Å; Y66-A70 HydrophobicContact CG-CB 4.41Å; Y66-A70 VanDerWaalsContact CZ-CB 3.46Å; Y66-A70 WeakPolarHBondContact O-CB 3.45Å; Y66-A70 PolarHBondContact O-N 3.44Å; A70-K72 PolarHBondContact O-N 3.04Å; A70-A73 WeakPolarHBondContact O-CB 3.49Å; A70-A73 PolarHBondContact O-N 3.38Å; A70-I74 PolarHBondContact O-N 2.8Å; A70-L104 HydrophobicContact CB-CD2 3.74Å
71	P	62.2	Low	65.2	Low	20 Å²	20	76.8 Å²	76.8	13%	0.13	40%	0.403	C	S	.	.	H	α-helix	trans	-69.7	-23.4	-179.4	-18.6	32.6	0	0	0	113.8	L67 A73 L81	L67-P71 VanDerWaalsContact O-CD 3.26Å; L67-P71 WeakPolarHBondContact O-CD 3.25Å; P71-A73 VanDerWaalsContact C-N 3.3Å; P71-L81 HydrophobicContact CB-CD1 3.04Å; P71-L81 HydrophobicContact CB-CG 4.4Å; P71-L81 HydrophobicContact CG-CD1 3.77Å
72	K	62.3	Low	64.8	Low	159 Å²	159	79 Å²	79	69%	0.691	41%	0.407	S	S	*	.	H	α-helix	trans	-70.5	-31.3	172.7	-60.6	173.7	-176.8	147.3	0	111	E68 E69 A70	E68-K72 WeakPolarHBondContact O-CD 3.36Å; E68-K72 WeakPolarHBondContact O-CE 3.38Å; E68-K72 PolarHBondContact O-NZ 3.43Å; E69-K72 WeakPolarHBondContact O-CB 3.46Å; E69-K72 PolarHBondContact O-N 3.15Å; E69-K72 VanDerWaalsContact O-N 3.1Å; A70-K72 PolarHBondContact O-N 3.04Å
73	A	55.3	Low	64.5	Low	86 Å²	86	80.2 Å²	80.2	71%	0.711	42%	0.421	S	S	*	.	H	α-helix	trans	-73.8	-31.1	179.3	0	0	0	0	0	112.8	E69 A70 P71 N75	E69-A73 PolarHBondContact O-N 3.29Å; A70-A73 WeakPolarHBondContact O-CB 3.49Å; A70-A73 PolarHBondContact O-N 3.38Å; P71-A73 VanDerWaalsContact C-N 3.3Å; A73-N75 PolarHBondContact O-N 3.21Å
74	I	59.4	Low	63.6	Low	65 Å²	65	80.4 Å²	80.4	33%	0.333	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	3.6	-178.6	-51.8	173.4	0	0	0	111.9	A70 V76 L104	A70-I74 PolarHBondContact O-N 2.8Å; I74-V76 HydrophobicContact CB-CG2 3.97Å; I74-V76 HydrophobicContact CG2-CG2 4.03Å; I74-V76 PolarHBondContact O-N 3.45Å; I74-L104 HydrophobicContact CD1-CD1 4.22Å; I74-L104 HydrophobicContact CD1-CD2 3.3Å; I74-L104 HydrophobicContact CD1-CG 3.55Å
75	N	60.7	Low	63.1	Low	152 Å²	152	80.6 Å²	80.6	81%	0.813	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	34.6	178.8	-153.2	29.1	0	0	0	113.3	A73	A73-N75 PolarHBondContact O-N 3.21Å
76	V	56.7	Low	62.6	Low	34 Å²	34	82.3 Å²	82.3	21%	0.206	43%	0.429	C	S	.	.			trans	-70.7	131.2	177.5	-174.1	0	0	0	0	108.7	I74 T80 W100	I74-V76 HydrophobicContact CB-CG2 3.97Å; I74-V76 HydrophobicContact CG2-CG2 4.03Å; I74-V76 PolarHBondContact O-N 3.45Å; V76-T80 HydrophobicContact CG1-CG2 3.87Å; V76-W100 HydrophobicContact CB-CH2 4.34Å; V76-W100 HydrophobicContact CG1-CH2 3.8Å; V76-W100 HydrophobicContact CG1-CZ2 3.69Å; V76-W100 HydrophobicContact CG2-CH2 3.89Å; V76-W100 HydrophobicContact CG2-CZ2 4.28Å
77	D	59.9	Low	61.7	Low	77 Å²	77	83.9 Å²	83.9	41%	0.412	44%	0.442	S	S	.	.			trans	-64	148.2	-178.5	92.9	88.5	0	0	0	111.1	K79 T80 L81	D77-K79 PolarHBondContact O-N 3.22Å; D77-K79 VanDerWaalsContact O-N 3.1Å; D77-K79 VanDerWaalsContact OD1-CB 3.31Å; D77-K79 WeakPolarHBondContact OD1-CB 3.42Å; D77-K79 PolarHBondContact OD1-N 3.27Å; D77-T80 PolarHBondContact O-N 2.86Å; D77-T80 VanDerWaalsContact O-N 3.13Å; D77-T80 PolarHBondContact OD1-N 3.41Å; D77-T80 VanDerWaalsContact OD2-CB 3.23Å; D77-T80 WeakPolarHBondContact OD2-CB 3.44Å; D77-T80 PolarHBondContact OD2-OG1 3.45Å; D77-L81 PolarHBondContact O-N 2.91Å
78	P	62.9	Low	60.9	Low	99 Å²	99	83.5 Å²	83.5	64%	0.643	44%	0.438	S	S	*	.	H	α-helix	trans	-58.1	-29.8	-173	-25	33.4	0	0	0	114.7	L81 D82	P78-L81 WeakPolarHBondContact O-CB 3.4Å; P78-L81 PolarHBondContact O-N 3.08Å; P78-D82 PolarHBondContact O-N 2.86Å
79	K	64.6	Low	60.2	Low	164 Å²	164	84.6 Å²	84.6	71%	0.713	45%	0.45	S	S	*	.	H	α-helix	trans	-74.1	-42	179.8	-67.8	-177.6	175.8	-179.8	0	111.2	D77 L81 D82 S83	D77-K79 PolarHBondContact O-N 3.22Å; D77-K79 VanDerWaalsContact O-N 3.1Å; D77-K79 VanDerWaalsContact OD1-CB 3.31Å; D77-K79 WeakPolarHBondContact OD1-CB 3.42Å; D77-K79 PolarHBondContact OD1-N 3.27Å; K79-L81 PolarHBondContact O-N 3.06Å; K79-D82 PolarHBondContact O-N 2.69Å; K79-S83 WeakPolarHBondContact O-CB 3.4Å; K79-S83 PolarHBondContact O-N 3.17Å; K79-S83 PolarHBondContact O-OG 3.18Å
80	T	63.1	Low	59.1	Low	57 Å²	57	85.4 Å²	85.4	35%	0.35	45%	0.454	S	S	.	.	H	α-helix	trans	-62.8	-37.2	174.6	-59	0	0	0	0	110.3	V76 D77 S83 A84 W100	V76-T80 HydrophobicContact CG1-CG2 3.87Å; D77-T80 PolarHBondContact O-N 2.86Å; D77-T80 VanDerWaalsContact O-N 3.13Å; D77-T80 PolarHBondContact OD1-N 3.41Å; D77-T80 VanDerWaalsContact OD2-CB 3.23Å; D77-T80 WeakPolarHBondContact OD2-CB 3.44Å; D77-T80 PolarHBondContact OD2-OG1 3.45Å; T80-S83 PolarHBondContact O-N 3.34Å; T80-A84 WeakPolarHBondContact O-CB 3.23Å; T80-A84 PolarHBondContact O-N 2.82Å; T80-W100 HydrophobicContact CG2-CZ2 3.88Å
81	L	57.9	Low	58.1	Low	43 Å²	43	89 Å²	89	23%	0.225	47%	0.472	C	S	.	.	H	α-helix	trans	-61.9	-46.4	173.5	-160.4	84.2	0	0	0	113.4	P71 D77 P78 K79 A84 R85	P71-L81 HydrophobicContact CB-CD1 3.04Å; P71-L81 HydrophobicContact CB-CG 4.4Å; P71-L81 HydrophobicContact CG-CD1 3.77Å; D77-L81 PolarHBondContact O-N 2.91Å; P78-L81 WeakPolarHBondContact O-CB 3.4Å; P78-L81 PolarHBondContact O-N 3.08Å; K79-L81 PolarHBondContact O-N 3.06Å; L81-A84 PolarHBondContact O-N 3.01Å; L81-R85 WeakPolarHBondContact O-CB 3.33Å; L81-R85 PolarHBondContact O-N 3.18Å
82	D	66.1	Low	57.9	Low	109 Å²	109	90.7 Å²	90.7	58%	0.583	48%	0.484	S	S	*	.	H	α-helix	trans	-67.6	-39.2	178.8	-90.2	-10.1	0	0	0	112	P78 K79 R85 K86	P78-D82 PolarHBondContact O-N 2.86Å; K79-D82 PolarHBondContact O-N 2.69Å; D82-R85 PolarHBondContact O-N 3.38Å; D82-K86 PolarHBondContact O-N 3.48Å
83	S	62.8	Low	57.6	Low	74 Å²	74	85.2 Å²	85.2	52%	0.517	46%	0.462	S	S	.	.	H	α-helix	trans	-62.4	-47.5	172.7	-75	0	0	0	0	110.9	K79 T80 R85 K86 V87	K79-S83 WeakPolarHBondContact O-CB 3.4Å; K79-S83 PolarHBondContact O-N 3.17Å; K79-S83 PolarHBondContact O-OG 3.18Å; T80-S83 PolarHBondContact O-N 3.34Å; S83-R85 PolarHBondContact O-N 3.17Å; S83-K86 PolarHBondContact O-N 3.03Å; S83-V87 WeakPolarHBondContact O-CG2 3.28Å; S83-V87 PolarHBondContact O-N 2.76Å
84	A	55.2	Low	57.6	Low	13 Å²	13	81.8 Å²	81.8	11%	0.107	43%	0.432	C	S	.	.	H	α-helix	trans	-59.3	-48	176.4	0	0	0	0	0	110.7	T80 L81 K86 V87 F88 W100	T80-A84 WeakPolarHBondContact O-CB 3.23Å; T80-A84 PolarHBondContact O-N 2.82Å; L81-A84 PolarHBondContact O-N 3.01Å; A84-K86 VanDerWaalsContact C-N 3.28Å; A84-K86 PolarHBondContact O-N 3.12Å; A84-V87 PolarHBondContact O-N 3.18Å; A84-V87 VanDerWaalsContact O-N 3.12Å; A84-F88 HydrophobicContact CB-CD2 4.01Å; A84-F88 HydrophobicContact CB-CE2 3.55Å; A84-F88 HydrophobicContact CB-CZ 4.31Å; A84-F88 VanDerWaalsContact O-CB 3.3Å; A84-F88 WeakPolarHBondContact O-CB 3.37Å; A84-F88 WeakPolarHBondContact O-CD2 3.36Å; A84-F88 WeakPolarHBondContact O-CG 3.24Å; A84-F88 PolarHBondContact O-N 2.87Å; A84-W100 HydrophobicContact CB-CZ2 4.5Å
85	R	59.7	Low	57.5	Low	135 Å²	135	81.8 Å²	81.8	51%	0.509	43%	0.433	S	S	.	.	H	α-helix	trans	-53.1	-41.2	174.4	-86.5	-177.9	-179	-110.6	-4.4	113.2	L81 D82 S83 V89	L81-R85 WeakPolarHBondContact O-CB 3.33Å; L81-R85 PolarHBondContact O-N 3.18Å; D82-R85 PolarHBondContact O-N 3.38Å; S83-R85 PolarHBondContact O-N 3.17Å; R85-V89 VanDerWaalsContact O-CG2 3.29Å; R85-V89 WeakPolarHBondContact O-CG2 3.27Å; R85-V89 PolarHBondContact O-N 2.84Å
86	K	64.1	Low	57.4	Low	157 Å²	157	76.4 Å²	76.4	68%	0.683	40%	0.404	S	S	*	.	H	α-helix	trans	-65.7	-48.9	176.3	-94.7	-176.2	173	-177.3	0	112.2	D82 S83 A84 F88 V89 E90	D82-K86 PolarHBondContact O-N 3.48Å; S83-K86 PolarHBondContact O-N 3.03Å; A84-K86 VanDerWaalsContact C-N 3.28Å; A84-K86 PolarHBondContact O-N 3.12Å; K86-F88 VanDerWaalsContact C-N 3.29Å; K86-F88 PolarHBondContact O-N 2.69Å; K86-V89 PolarHBondContact O-N 2.73Å; K86-V89 VanDerWaalsContact O-N 3.15Å; K86-E90 PolarHBondContact O-N 2.75Å
87	V	51.9	Low	57.6	Low	65 Å²	65	75 Å²	75	39%	0.394	40%	0.395	S	S	.	.	H	α-helix	trans	-64.7	-36.6	-178.5	-176.2	0	0	0	0	110.9	S83 A84 V89 E90 N91 L96	S83-V87 WeakPolarHBondContact O-CG2 3.28Å; S83-V87 PolarHBondContact O-N 2.76Å; A84-V87 PolarHBondContact O-N 3.18Å; A84-V87 VanDerWaalsContact O-N 3.12Å; V87-V89 VanDerWaalsContact C-N 3.31Å; V87-V89 PolarHBondContact O-N 2.77Å; V87-E90 PolarHBondContact O-N 3.23Å; V87-N91 PolarHBondContact O-N 2.99Å; V87-N91 VanDerWaalsContact O-N 3.11Å; V87-N91 PolarHBondContact O-ND2 2.73Å; V87-L96 HydrophobicContact CB-CD1 4.38Å; V87-L96 HydrophobicContact CG1-CD1 3.57Å; V87-L96 HydrophobicContact CG1-CD2 4.39Å; V87-L96 WeakPolarHBondContact O-CD1 3.28Å
88	F	49.9	Very low	57.7	Low	36 Å²	36	71.5 Å²	71.5	16%	0.158	38%	0.376	C	S	.	.	H	α-helix	trans	-66.5	-24.4	174.6	-72	-43.7	0	0	0	114.8	A84 K86 E90 L93 L96 L97 W100	A84-F88 HydrophobicContact CB-CD2 4.01Å; A84-F88 HydrophobicContact CB-CE2 3.55Å; A84-F88 HydrophobicContact CB-CZ 4.31Å; A84-F88 VanDerWaalsContact O-CB 3.3Å; A84-F88 WeakPolarHBondContact O-CB 3.37Å; A84-F88 WeakPolarHBondContact O-CD2 3.36Å; A84-F88 WeakPolarHBondContact O-CG 3.24Å; A84-F88 PolarHBondContact O-N 2.87Å; K86-F88 VanDerWaalsContact C-N 3.29Å; K86-F88 PolarHBondContact O-N 2.69Å; F88-E90 VanDerWaalsContact C-N 3.35Å; F88-L93 HydrophobicContact CB-CD1 3.64Å; F88-L93 HydrophobicContact CD1-CD1 3.32Å; F88-L93 HydrophobicContact CD1-CG 4.44Å; F88-L93 HydrophobicContact CD2-CD1 3.82Å; F88-L93 HydrophobicContact CE1-CD1 3.82Å; F88-L93 HydrophobicContact CE2-CD1 4.3Å; F88-L93 HydrophobicContact CG-CD1 3.33Å; F88-L93 HydrophobicContact CZ-CD1 4.32Å; F88-L96 HydrophobicContact CD1-CB 3.54Å; F88-L96 HydrophobicContact CD1-CD1 3.79Å; F88-L96 HydrophobicContact CD1-CG 4.37Å; F88-L96 HydrophobicContact CE1-CB 3.33Å; F88-L96 HydrophobicContact CE1-CD1 4.34Å; F88-L97 HydrophobicContact CE1-CB 4.44Å; F88-L97 HydrophobicContact CE1-CD2 4.01Å; F88-L97 HydrophobicContact CE1-CG 3.74Å; F88-L97 HydrophobicContact CE2-CD2 4.11Å; F88-L97 HydrophobicContact CZ-CD2 3.49Å; F88-L97 VanDerWaalsContact CZ-CD2 3.49Å; F88-L97 HydrophobicContact CZ-CG 3.78Å; F88-W100 HydrophobicContact CE2-CE3 4.5Å; F88-W100 HydrophobicContact CZ-CE3 4.11Å
89	V	54.3	Low	57.3	Low	112 Å²	112	72.8 Å²	72.8	68%	0.679	38%	0.377	S	S	*	.	H	α-helix	trans	-77.2	-27.7	173.3	168.8	0	0	0	0	110.9	R85 K86 V87	R85-V89 VanDerWaalsContact O-CG2 3.29Å; R85-V89 WeakPolarHBondContact O-CG2 3.27Å; R85-V89 PolarHBondContact O-N 2.84Å; K86-V89 PolarHBondContact O-N 2.73Å; K86-V89 VanDerWaalsContact O-N 3.15Å; V87-V89 VanDerWaalsContact C-N 3.31Å; V87-V89 PolarHBondContact O-N 2.77Å
90	E	45.7	Very low	57.1	Low	124 Å²	124	69.2 Å²	69.2	58%	0.579	36%	0.359	S	S	*	.	H	α-helix	trans	-92.5	-20.1	-174.4	-67.8	178	176.1	0	0	114	K86 V87 F88	K86-E90 PolarHBondContact O-N 2.75Å; V87-E90 PolarHBondContact O-N 3.23Å; F88-E90 VanDerWaalsContact C-N 3.35Å
91	N	45.6	Very low	56.9	Low	87 Å²	87	68.7 Å²	68.7	47%	0.465	35%	0.354	S	S	.	.	S	Bend	trans	-128.9	170.8	176.8	-57.4	-78.9	0	0	0	111.5	V87 L93 L96	V87-N91 PolarHBondContact O-N 2.99Å; V87-N91 VanDerWaalsContact O-N 3.11Å; V87-N91 PolarHBondContact O-ND2 2.73Å; N91-L93 PolarHBondContact O-N 3.36Å; N91-L96 HydrophobicContact CB-CD1 3.62Å; N91-L96 HydrophobicContact CB-CG 4.16Å
92	S	57.7	Low	57	Low	57 Å²	57	69.3 Å²	69.3	40%	0.399	36%	0.36	S	S	.	.			trans	-53.6	110.8	170.2	177.1	0	0	0	0	109.8	D94 D95 L96	S92-D94 PolarHBondContact O-N 2.81Å; S92-D95 WeakPolarHBondContact CB-OD2 3.44Å; S92-D95 PolarHBondContact O-N 2.83Å; S92-L96 PolarHBondContact O-N 2.97Å
93	L	56.8	Low	56.7	Low	43 Å²	43	68.5 Å²	68.5	23%	0.225	36%	0.363	C	S	.	.	H	α-helix	trans	-53.6	-36.4	179.6	169.2	66.6	0	0	0	111.5	Y63 L67 F88 N91 L97	Y63-L93 HydrophobicContact CE1-CD2 4.01Å; L67-L93 HydrophobicContact CD1-CD2 4Å; F88-L93 HydrophobicContact CB-CD1 3.64Å; F88-L93 HydrophobicContact CD1-CD1 3.32Å; F88-L93 HydrophobicContact CD1-CG 4.44Å; F88-L93 HydrophobicContact CD2-CD1 3.82Å; F88-L93 HydrophobicContact CE1-CD1 3.82Å; F88-L93 HydrophobicContact CE2-CD1 4.3Å; F88-L93 HydrophobicContact CG-CD1 3.33Å; F88-L93 HydrophobicContact CZ-CD1 4.32Å; N91-L93 PolarHBondContact O-N 3.36Å; L93-L97 HydrophobicContact CD1-CD1 3.7Å; L93-L97 HydrophobicContact CD1-CG 3.92Å; L93-L97 HydrophobicContact CG-CD1 3.85Å; L93-L97 HydrophobicContact CG-CG 4.44Å; L93-L97 WeakPolarHBondContact O-CB 3.36Å; L93-L97 WeakPolarHBondContact O-CG 3.27Å; L93-L97 PolarHBondContact O-N 3.35Å
94	D	54.1	Low	56.7	Low	15 Å²	15	65.2 Å²	65.2	8%	0.08	34%	0.339	C	S	.	.	H	α-helix	trans	-65.2	-46.6	-176.4	-60.1	-14.3	0	0	0	110.9	S92 L96 L97 L98 K107 K168	S92-D94 PolarHBondContact O-N 2.81Å; D94-L96 VanDerWaalsContact C-N 3.35Å; D94-L96 PolarHBondContact O-N 2.97Å; D94-L97 PolarHBondContact O-N 2.92Å; D94-L98 PolarHBondContact O-N 3.28Å; D94-K107 VanDerWaalsContact OD1-CB 3.25Å; D94-K107 WeakPolarHBondContact OD1-CB 3.44Å; D94-K168 IonicContact OD2-NZ 3.69Å; D94-K168 PolarHBondContact OD2-NZ 2.9Å
95	D	58.5	Low	57.4	Low	64 Å²	64	70.2 Å²	70.2	34%	0.342	36%	0.355	S	S	.	.	H	α-helix	trans	-67	-38.1	-178.6	-56.2	-11.1	0	0	0	111.6	S92 L98 L99 W280	S92-D95 WeakPolarHBondContact CB-OD2 3.44Å; S92-D95 PolarHBondContact O-N 2.83Å; D95-L98 WeakPolarHBondContact O-CB 3.43Å; D95-L99 WeakPolarHBondContact O-CD1 3.22Å; D95-L99 WeakPolarHBondContact O-CG 3.22Å; D95-L99 PolarHBondContact O-N 2.68Å; D95-W280 HydrophobicContact CB-CZ2 4.49Å
96	L	57.1	Low	58.1	Low	39 Å²	39	64.1 Å²	64.1	20%	0.204	33%	0.333	C	S	.	.	H	α-helix	trans	-76	-32.3	-177.9	-74.4	178.3	0	0	0	112.9	V87 F88 N91 S92 D94 L98 L99 W100	V87-L96 HydrophobicContact CB-CD1 4.38Å; V87-L96 HydrophobicContact CG1-CD1 3.57Å; V87-L96 HydrophobicContact CG1-CD2 4.39Å; V87-L96 WeakPolarHBondContact O-CD1 3.28Å; F88-L96 HydrophobicContact CD1-CB 3.54Å; F88-L96 HydrophobicContact CD1-CD1 3.79Å; F88-L96 HydrophobicContact CD1-CG 4.37Å; F88-L96 HydrophobicContact CE1-CB 3.33Å; F88-L96 HydrophobicContact CE1-CD1 4.34Å; N91-L96 HydrophobicContact CB-CD1 3.62Å; N91-L96 HydrophobicContact CB-CG 4.16Å; S92-L96 PolarHBondContact O-N 2.97Å; D94-L96 VanDerWaalsContact C-N 3.35Å; D94-L96 PolarHBondContact O-N 2.97Å; L96-L98 VanDerWaalsContact C-N 3.28Å; L96-L99 PolarHBondContact O-N 3.28Å; L96-W100 WeakPolarHBondContact O-CB 3.45Å; L96-W100 PolarHBondContact O-N 3.11Å
97	L	61.6	Low	58.8	Low	5 Å²	5	57.4 Å²	57.4	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-64.4	-42.5	176.4	-82.4	168.6	0	0	0	109.6	Y63 L67 F88 L93 D94 L99 W100 N101 L104	Y63-L97 VanDerWaalsContact OH-CD1 3.27Å; Y63-L97 WeakPolarHBondContact OH-CD1 3.37Å; L67-L97 HydrophobicContact CD2-CD1 4.18Å; F88-L97 HydrophobicContact CE1-CB 4.44Å; F88-L97 HydrophobicContact CE1-CD2 4.01Å; F88-L97 HydrophobicContact CE1-CG 3.74Å; F88-L97 HydrophobicContact CE2-CD2 4.11Å; F88-L97 HydrophobicContact CZ-CD2 3.49Å; F88-L97 VanDerWaalsContact CZ-CD2 3.49Å; F88-L97 HydrophobicContact CZ-CG 3.78Å; L93-L97 HydrophobicContact CD1-CD1 3.7Å; L93-L97 HydrophobicContact CD1-CG 3.92Å; L93-L97 HydrophobicContact CG-CD1 3.85Å; L93-L97 HydrophobicContact CG-CG 4.44Å; L93-L97 WeakPolarHBondContact O-CB 3.36Å; L93-L97 WeakPolarHBondContact O-CG 3.27Å; L93-L97 PolarHBondContact O-N 3.35Å; D94-L97 PolarHBondContact O-N 2.92Å; L97-L99 VanDerWaalsContact C-N 3.35Å; L97-L99 PolarHBondContact O-N 2.76Å; L97-W100 PolarHBondContact O-N 3.35Å; L97-N101 PolarHBondContact O-N 2.94Å; L97-N101 VanDerWaalsContact O-N 3.11Å; L97-L104 HydrophobicContact CD2-CB 4.26Å; L97-L104 HydrophobicContact CD2-CD1 4.01Å
98	L	61.2	Low	60.4	Low	3 Å²	3	54.5 Å²	54.5	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-57.2	-46.1	175.6	-167.1	71.3	0	0	0	112.6	D94 D95 L96 P279 W280 R283	D94-L98 PolarHBondContact O-N 3.28Å; D95-L98 WeakPolarHBondContact O-CB 3.43Å; L96-L98 VanDerWaalsContact C-N 3.28Å; L98-P279 HydrophobicContact CD1-CB 3.84Å; L98-P279 HydrophobicContact CD1-CG 4.29Å; L98-P279 HydrophobicContact CD2-CB 4.03Å; L98-P279 HydrophobicContact CD2-CG 3.78Å; L98-P279 HydrophobicContact CG-CB 3.73Å; L98-P279 HydrophobicContact CG-CG 3.61Å; L98-W280 HydrophobicContact CD2-CD2 3.75Å; L98-W280 VanDerWaalsContact CD2-CE2 3.44Å; L98-W280 HydrophobicContact CD2-CE3 4.5Å; L98-W280 HydrophobicContact CD2-CG 3.88Å; L98-W280 HydrophobicContact CD2-CZ2 3.96Å; L98-R283 VanDerWaalsContact CD1-NH2 3.29Å
99	L	56.3	Low	62	Low	126 Å²	126	54.2 Å²	54.2	66%	0.66	29%	0.286	S	S	*	.	H	α-helix	trans	-75.2	-28.5	179.9	-77.4	157.8	0	0	0	113.3	D95 L96 L97	D95-L99 WeakPolarHBondContact O-CD1 3.22Å; D95-L99 WeakPolarHBondContact O-CG 3.22Å; D95-L99 PolarHBondContact O-N 2.68Å; L96-L99 PolarHBondContact O-N 3.28Å; L97-L99 VanDerWaalsContact C-N 3.35Å; L97-L99 PolarHBondContact O-N 2.76Å
100	W	60.4	Low	63.3	Low	89 Å²	89	49 Å²	49	34%	0.337	25%	0.254	S	S	.	.	H	α-helix	trans	-82.2	-44.3	-173.8	-177.7	53	0	0	0	112.4	V76 T80 A84 F88 L96 L97 L104	V76-W100 HydrophobicContact CB-CH2 4.34Å; V76-W100 HydrophobicContact CG1-CH2 3.8Å; V76-W100 HydrophobicContact CG1-CZ2 3.69Å; V76-W100 HydrophobicContact CG2-CH2 3.89Å; V76-W100 HydrophobicContact CG2-CZ2 4.28Å; T80-W100 HydrophobicContact CG2-CZ2 3.88Å; A84-W100 HydrophobicContact CB-CZ2 4.5Å; F88-W100 HydrophobicContact CE2-CE3 4.5Å; F88-W100 HydrophobicContact CZ-CE3 4.11Å; L96-W100 WeakPolarHBondContact O-CB 3.45Å; L96-W100 PolarHBondContact O-N 3.11Å; L97-W100 PolarHBondContact O-N 3.35Å; W100-L104 HydrophobicContact CE3-CD1 3.36Å; W100-L104 HydrophobicContact CH2-CD1 4.29Å; W100-L104 HydrophobicContact CZ3-CD1 3.2Å
101	N	58	Low	65.3	Low	47 Å²	47	43.6 Å²	43.6	25%	0.251	23%	0.23	S	C	.	.			trans	-160.7	115.1	174.4	-169.2	-32.5	0	0	0	110.4	L97 S103 L104	L97-N101 PolarHBondContact O-N 2.94Å; L97-N101 VanDerWaalsContact O-N 3.11Å; N101-S103 PolarHBondContact O-N 3.21Å; N101-S103 WeakPolarHBondContact OD1-CB 3.41Å; N101-S103 PolarHBondContact OD1-N 3.1Å; N101-S103 PolarHBondContact OD1-OG 3.43Å; N101-L104 HydrophobicContact CB-CD1 4.13Å; N101-L104 HydrophobicContact CB-CG 4.37Å; N101-L104 WeakPolarHBondContact O-CB 3.33Å; N101-L104 PolarHBondContact O-N 2.89Å
102	T	59.4	Low	67.5	Low	56 Å²	56	39.9 Å²	39.9	34%	0.344	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.9	179.5	56	0	0	0	0	113.7	L104 Y277 P279	T102-L104 PolarHBondContact O-N 3.44Å; T102-Y277 HydrophobicContact CG2-CE1 3.74Å; T102-Y277 WeakPolarHBondContact CG2-OH 3.34Å; T102-P279 HydrophobicContact CG2-CB 4.38Å
103	S	60.3	Low	68.9	Low	92 Å²	92	40.3 Å²	40.3	64%	0.643	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-16	174.6	-54.5	0	0	0	0	113.1	N101	N101-S103 PolarHBondContact O-N 3.21Å; N101-S103 WeakPolarHBondContact OD1-CB 3.41Å; N101-S103 PolarHBondContact OD1-N 3.1Å; N101-S103 PolarHBondContact OD1-OG 3.43Å
104	L	63.6	Low	70.3	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.195	C	C	.	.	S	Bend	trans	-87.5	117.9	174.1	-72.6	169.5	0	0	0	109.6	Y66 A70 I74 L97 W100 N101 T102 D106	Y66-L104 WeakPolarHBondContact OH-CA 3.43Å; Y66-L104 WeakPolarHBondContact OH-CD2 3.19Å; A70-L104 HydrophobicContact CB-CD2 3.74Å; I74-L104 HydrophobicContact CD1-CD1 4.22Å; I74-L104 HydrophobicContact CD1-CD2 3.3Å; I74-L104 HydrophobicContact CD1-CG 3.55Å; L97-L104 HydrophobicContact CD2-CB 4.26Å; L97-L104 HydrophobicContact CD2-CD1 4.01Å; W100-L104 HydrophobicContact CE3-CD1 3.36Å; W100-L104 HydrophobicContact CH2-CD1 4.29Å; W100-L104 HydrophobicContact CZ3-CD1 3.2Å; N101-L104 HydrophobicContact CB-CD1 4.13Å; N101-L104 HydrophobicContact CB-CG 4.37Å; N101-L104 WeakPolarHBondContact O-CB 3.33Å; N101-L104 PolarHBondContact O-N 2.89Å; T102-L104 PolarHBondContact O-N 3.44Å; L104-D106 PolarHBondContact O-N 3.25Å
105	R	69.5	Low	72.2	Confident	118 Å²	118	38.6 Å²	38.6	45%	0.445	19%	0.192	S	C	.	.			trans	-58	133.3	164.9	-65.4	178.6	-177.1	154.2	-1.7	109.8	Y66 D109	Y66-R105 HydrophobicContact CE1-CB 4.19Å; Y66-R105 WeakPolarHBondContact CE1-O 3.34Å; Y66-R105 HydrophobicContact CE2-CB 4.25Å; Y66-R105 PolarHBondContact OH-N 3.46Å; Y66-R105 PolarHBondContact OH-O 3.27Å; R105-D109 HydrophobicContact CB-CB 3.7Å; R105-D109 HydrophobicContact CG-CB 4.02Å
106	D	74.6	Confident	73.7	Confident	7 Å²	7	35.7 Å²	35.7	4%	0.037	18%	0.177	C	C	.	.			trans	-82.8	-170.2	168.7	70.2	20	0	0	0	110.8	L104 D108 D109 E110 R283	L104-D106 PolarHBondContact O-N 3.25Å; D106-D108 WeakPolarHBondContact OD1-CA 3.43Å; D106-D108 PolarHBondContact OD1-N 3.28Å; D106-D109 PolarHBondContact N-OD2 2.98Å; D106-D109 VanDerWaalsContact N-OD2 3.16Å; D106-D109 PolarHBondContact OD1-N 3.08Å; D106-E110 WeakPolarHBondContact O-CB 3.47Å; D106-E110 PolarHBondContact O-N 3.43Å; D106-E110 VanDerWaalsContact O-N 3.12Å; D106-R283 IonicContact OD1-NH1 2.66Å; D106-R283 IonicContact OD2-CZ 2.76Å; D106-R283 IonicContact OD2-NH1 3.83Å; D106-R283 PolarHBondContact OD2-NH1 2.97Å; D106-R283 IonicContact OD2-NH2 3.65Å
107	K	78.8	Confident	75.2	Confident	16 Å²	16	38.1 Å²	38.1	7%	0.07	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-42.5	178.6	-171.7	-156.1	176.3	-145	0	112.4	P52 F54 Y63 D94 E110 T111	P52-K107 HydrophobicContact CB-CD 3.41Å; P52-K107 VanDerWaalsContact CB-CD 3.41Å; P52-K107 VanDerWaalsContact CB-CE 3.44Å; P52-K107 HydrophobicContact CG-CD 3.64Å; F54-K107 HydrophobicContact CE1-CD 4.44Å; F54-K107 HydrophobicContact CE1-CG 4.28Å; F54-K107 HydrophobicContact CZ-CD 4.09Å; F54-K107 HydrophobicContact CZ-CG 3.92Å; Y63-K107 HydrophobicContact CD1-CB 4.11Å; Y63-K107 HydrophobicContact CD1-CG 3.78Å; Y63-K107 HydrophobicContact CD2-CB 4.48Å; Y63-K107 HydrophobicContact CE1-CB 3.58Å; Y63-K107 HydrophobicContact CE1-CG 3.74Å; Y63-K107 HydrophobicContact CE2-CB 4.06Å; Y63-K107 HydrophobicContact CG-CG 4.18Å; Y63-K107 PolarHBondContact OH-N 3.38Å; D94-K107 VanDerWaalsContact OD1-CB 3.25Å; D94-K107 WeakPolarHBondContact OD1-CB 3.44Å; K107-E110 PolarHBondContact O-N 3.37Å; K107-T111 VanDerWaalsContact O-CB 3.32Å; K107-T111 WeakPolarHBondContact O-CB 3.47Å; K107-T111 PolarHBondContact O-N 3.14Å; K107-T111 PolarHBondContact O-OG1 3.03Å
108	D	84.7	Confident	76.6	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-71.2	-40.1	-174.8	-63.7	-10.6	0	0	0	109.5	D106 E110 T111 K112 L161 Q165 K168	D106-D108 WeakPolarHBondContact OD1-CA 3.43Å; D106-D108 PolarHBondContact OD1-N 3.28Å; D108-E110 PolarHBondContact O-N 3.42Å; D108-T111 PolarHBondContact O-N 3.01Å; D108-K112 WeakPolarHBondContact O-CB 3.36Å; D108-K112 PolarHBondContact O-N 2.7Å; D108-L161 HydrophobicContact CB-CD1 4.02Å; D108-Q165 HydrophobicContact CB-CG 4.22Å; D108-K168 IonicContact OD1-NZ 3.89Å; D108-K168 PolarHBondContact OD1-NZ 2.99Å; D108-K168 IonicContact OD2-NZ 3.74Å; D108-K168 PolarHBondContact OD2-NZ 3.03Å
109	D	83	Confident	78.1	Confident	30 Å²	30	39.4 Å²	39.4	16%	0.16	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-45	174.2	-65.6	-31.1	0	0	0	112	R105 D106 K112 R113 R283	R105-D109 HydrophobicContact CB-CB 3.7Å; R105-D109 HydrophobicContact CG-CB 4.02Å; D106-D109 PolarHBondContact N-OD2 2.98Å; D106-D109 VanDerWaalsContact N-OD2 3.16Å; D106-D109 PolarHBondContact OD1-N 3.08Å; D109-K112 WeakPolarHBondContact O-CB 3.48Å; D109-K112 PolarHBondContact O-N 3.41Å; D109-R113 WeakPolarHBondContact O-CB 3.46Å; D109-R113 PolarHBondContact O-N 2.74Å; D109-R283 IonicContact OD1-CZ 2.9Å; D109-R283 IonicContact OD1-NH1 2.66Å; D109-R283 IonicContact OD2-CZ 3.43Å; D109-R283 VanDerWaalsContact OD2-CZ 3.25Å; D109-R283 IonicContact OD2-NH1 3.62Å; D109-R283 PolarHBondContact OD2-NH1 3.45Å; D109-R283 IonicContact OD2-NH2 2.62Å; D109-R283 PolarHBondContact OD2-NH2 2.94Å
110	E	81.8	Confident	79.6	Confident	3 Å²	3	34.4 Å²	34.4	1%	0.014	17%	0.166	C	C	.	.	H	α-helix	trans	-72.2	-35	-179.8	-171.1	58.7	-160.6	0	0	111.8	Y63 Y66 D106 K107 D108 R113 Y114	Y63-E110 HydrophobicContact CD2-CB 3.73Å; Y63-E110 HydrophobicContact CD2-CG 3.95Å; Y63-E110 HydrophobicContact CE2-CB 4.34Å; Y66-E110 HydrophobicContact CG-CG 4.27Å; D106-E110 WeakPolarHBondContact O-CB 3.47Å; D106-E110 PolarHBondContact O-N 3.43Å; D106-E110 VanDerWaalsContact O-N 3.12Å; K107-E110 PolarHBondContact O-N 3.37Å; D108-E110 PolarHBondContact O-N 3.42Å; E110-R113 VanDerWaalsContact CD-NE 3.28Å; E110-R113 PolarHBondContact O-N 3.03Å; E110-R113 IonicContact OE1-CZ 3.03Å; E110-R113 IonicContact OE1-NE 2.99Å; E110-R113 PolarHBondContact OE1-NE 3.2Å; E110-R113 IonicContact OE1-NH2 2.89Å; E110-R113 PolarHBondContact OE1-NH2 3.21Å; E110-R113 IonicContact OE2-CZ 2.71Å; E110-R113 IonicContact OE2-NE 3.23Å; E110-R113 PolarHBondContact OE2-NE 3.41Å; E110-Y114 PolarHBondContact O-N 2.92Å
111	T	88.7	Confident	80.9	Confident	11 Å²	11	36.4 Å²	36.4	7%	0.067	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-45	172.4	-56.4	0	0	0	0	110.3	E59 K107 D108 R113 Y114 L115 L161	E59-T111 HydrophobicContact CG-CG2 4.48Å; K107-T111 VanDerWaalsContact O-CB 3.32Å; K107-T111 WeakPolarHBondContact O-CB 3.47Å; K107-T111 PolarHBondContact O-N 3.14Å; K107-T111 PolarHBondContact O-OG1 3.03Å; D108-T111 PolarHBondContact O-N 3.01Å; T111-R113 PolarHBondContact O-N 3.16Å; T111-Y114 PolarHBondContact O-N 3.43Å; T111-L115 HydrophobicContact CG2-CD1 4.08Å; T111-L115 HydrophobicContact CG2-CG 4.5Å; T111-L115 VanDerWaalsContact O-CG 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.29Å; T111-L115 PolarHBondContact O-N 2.9Å; T111-L161 HydrophobicContact CG2-CD2 4.3Å
112	K	90.9	Very high	82.4	Confident	9 Å²	9	35 Å²	35	4%	0.039	17%	0.17	C	C	.	.	H	α-helix	trans	-57.8	-49.5	174.7	-170.1	-170.5	-69.5	174.4	0	110.2	D108 D109 Y114 L115 V116 L158 L161 I255 E259	D108-K112 WeakPolarHBondContact O-CB 3.36Å; D108-K112 PolarHBondContact O-N 2.7Å; D109-K112 WeakPolarHBondContact O-CB 3.48Å; D109-K112 PolarHBondContact O-N 3.41Å; K112-Y114 VanDerWaalsContact C-N 3.34Å; K112-Y114 PolarHBondContact O-N 3.09Å; K112-L115 PolarHBondContact O-N 3.3Å; K112-V116 HydrophobicContact CG-CG2 4.36Å; K112-V116 WeakPolarHBondContact O-CG2 3.39Å; K112-V116 PolarHBondContact O-N 2.9Å; K112-L158 HydrophobicContact CG-CD2 4.09Å; K112-L161 HydrophobicContact CB-CD2 3.63Å; K112-L161 HydrophobicContact CG-CD2 4.31Å; K112-I255 HydrophobicContact CD-CG2 4.05Å; K112-E259 IonicContact NZ-OE1 3.23Å; K112-E259 PolarHBondContact NZ-OE1 3.41Å
113	R	87.3	Confident	83.5	Confident	66 Å²	66	34.2 Å²	34.2	25%	0.249	16%	0.163	C	C	.	.	H	α-helix	trans	-51.7	-52.9	176.9	-176.6	-178.9	85.5	93.3	0.2	112.2	D109 E110 T111 L115 V116 E117 H256	D109-R113 WeakPolarHBondContact O-CB 3.46Å; D109-R113 PolarHBondContact O-N 2.74Å; E110-R113 VanDerWaalsContact CD-NE 3.28Å; E110-R113 PolarHBondContact O-N 3.03Å; E110-R113 IonicContact OE1-CZ 3.03Å; E110-R113 IonicContact OE1-NE 2.99Å; E110-R113 PolarHBondContact OE1-NE 3.2Å; E110-R113 IonicContact OE1-NH2 2.89Å; E110-R113 PolarHBondContact OE1-NH2 3.21Å; E110-R113 IonicContact OE2-CZ 2.71Å; E110-R113 IonicContact OE2-NE 3.23Å; E110-R113 PolarHBondContact OE2-NE 3.41Å; T111-R113 PolarHBondContact O-N 3.16Å; R113-L115 VanDerWaalsContact C-N 3.34Å; R113-L115 PolarHBondContact O-N 3.21Å; R113-V116 PolarHBondContact O-N 3.06Å; R113-E117 WeakPolarHBondContact CG-OE1 3.46Å; R113-E117 IonicContact CZ-OE1 3.34Å; R113-E117 IonicContact NE-OE1 3.98Å; R113-E117 IonicContact NH1-OE1 3.53Å; R113-E117 PolarHBondContact NH1-OE1 2.98Å; R113-E117 IonicContact NH1-OE2 3.96Å; R113-E117 WeakPolarHBondContact O-CG 3.49Å; R113-E117 PolarHBondContact O-N 3.38Å; R113-H256 VanDerWaalsContact CA-NE2 3.33Å; R113-H256 WeakPolarHBondContact CA-NE2 3.11Å
114	Y	87.4	Confident	84.6	Confident	18 Å²	18	33.7 Å²	33.7	7%	0.071	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-45.3	-179.6	173.6	-122.1	0	0	0	112.3	E58 E59 E110 T111 K112 V116 E117 K118	E58-Y114 HydrophobicContact CG-CE1 4.48Å; E58-Y114 PolarHBondContact OE1-OH 3.07Å; E58-Y114 PolarHBondContact OE2-OH 3.24Å; E59-Y114 HydrophobicContact CG-CD1 3.56Å; E59-Y114 HydrophobicContact CG-CE1 3.82Å; E110-Y114 PolarHBondContact O-N 2.92Å; T111-Y114 PolarHBondContact O-N 3.43Å; K112-Y114 VanDerWaalsContact C-N 3.34Å; K112-Y114 PolarHBondContact O-N 3.09Å; Y114-V116 PolarHBondContact O-N 3.31Å; Y114-E117 PolarHBondContact O-N 3.01Å; Y114-K118 HydrophobicContact CE1-CD 4.4Å; Y114-K118 WeakPolarHBondContact O-CB 3.31Å; Y114-K118 PolarHBondContact O-N 3.43Å
115	L	92.3	Very high	85.5	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-39.6	-179.3	-68.9	174.5	0	0	0	111.9	T111 K112 R113 K118 L119 I154 K157 L158	T111-L115 HydrophobicContact CG2-CD1 4.08Å; T111-L115 HydrophobicContact CG2-CG 4.5Å; T111-L115 VanDerWaalsContact O-CG 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.29Å; T111-L115 PolarHBondContact O-N 2.9Å; K112-L115 PolarHBondContact O-N 3.3Å; R113-L115 VanDerWaalsContact C-N 3.34Å; R113-L115 PolarHBondContact O-N 3.21Å; L115-K118 PolarHBondContact O-N 3.02Å; L115-L119 WeakPolarHBondContact O-CB 3.26Å; L115-L119 PolarHBondContact O-N 2.94Å; L115-I154 HydrophobicContact CB-CG2 4.21Å; L115-I154 HydrophobicContact CD2-CG2 4.33Å; L115-I154 VanDerWaalsContact O-CG2 3.26Å; L115-I154 WeakPolarHBondContact O-CG2 3.41Å; L115-K157 HydrophobicContact CD1-CB 3.85Å; L115-K157 HydrophobicContact CD2-CB 4.24Å; L115-K157 HydrophobicContact CD2-CD 3.88Å; L115-L158 HydrophobicContact CB-CD1 4.44Å; L115-L158 HydrophobicContact CB-CD2 3.64Å; L115-L158 HydrophobicContact CB-CG 3.93Å; L115-L158 HydrophobicContact CD1-CD2 4.08Å; L115-L158 HydrophobicContact CD1-CG 4.24Å
116	V	91.6	Very high	85.9	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.018	17%	0.169	C	C	.	.	H	α-helix	trans	-64.9	-47.3	175.6	174.1	0	0	0	0	110.9	K112 R113 Y114 K118 L119 I120 L158 N254 I255	K112-V116 HydrophobicContact CG-CG2 4.36Å; K112-V116 WeakPolarHBondContact O-CG2 3.39Å; K112-V116 PolarHBondContact O-N 2.9Å; R113-V116 PolarHBondContact O-N 3.06Å; Y114-V116 PolarHBondContact O-N 3.31Å; V116-K118 VanDerWaalsContact C-N 3.27Å; V116-K118 PolarHBondContact O-N 3.32Å; V116-L119 WeakPolarHBondContact O-CB 3.35Å; V116-L119 PolarHBondContact O-N 3.46Å; V116-L119 VanDerWaalsContact O-N 3.08Å; V116-I120 HydrophobicContact CG1-CD1 3.88Å; V116-I120 HydrophobicContact CG1-CG1 4.45Å; V116-I120 WeakPolarHBondContact O-CG1 3.29Å; V116-I120 PolarHBondContact O-N 3.28Å; V116-L158 HydrophobicContact CG2-CD1 4.48Å; V116-L158 HydrophobicContact CG2-CD2 4.08Å; V116-N254 HydrophobicContact CG1-CB 4.04Å; V116-I255 HydrophobicContact CG2-CB 3.9Å; V116-I255 HydrophobicContact CG2-CD1 3.92Å; V116-I255 HydrophobicContact CG2-CG1 4.46Å; V116-I255 HydrophobicContact CG2-CG2 4.3Å
117	E	88.4	Confident	85.8	Confident	90 Å²	90	38.3 Å²	38.3	42%	0.421	18%	0.184	S	C	.	.	H	α-helix	trans	-58.2	-41.5	175.9	-74.8	177.3	-170.2	0	0	111.8	R113 Y114 K121	R113-E117 WeakPolarHBondContact CG-OE1 3.46Å; R113-E117 IonicContact CZ-OE1 3.34Å; R113-E117 IonicContact NE-OE1 3.98Å; R113-E117 IonicContact NH1-OE1 3.53Å; R113-E117 PolarHBondContact NH1-OE1 2.98Å; R113-E117 IonicContact NH1-OE2 3.96Å; R113-E117 WeakPolarHBondContact O-CG 3.49Å; R113-E117 PolarHBondContact O-N 3.38Å; Y114-E117 PolarHBondContact O-N 3.01Å; E117-K121 WeakPolarHBondContact O-CB 3.35Å; E117-K121 PolarHBondContact O-N 3.47Å; E117-K121 VanDerWaalsContact O-N 3.11Å
118	K	90.9	Very high	85.4	Confident	31 Å²	31	39.6 Å²	39.6	14%	0.135	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-42.4	175.9	-164.2	-178	-172.5	172.2	0	111.3	Y114 L115 V116 K121 T122 E149 I154	Y114-K118 HydrophobicContact CE1-CD 4.4Å; Y114-K118 WeakPolarHBondContact O-CB 3.31Å; Y114-K118 PolarHBondContact O-N 3.43Å; L115-K118 PolarHBondContact O-N 3.02Å; V116-K118 VanDerWaalsContact C-N 3.27Å; V116-K118 PolarHBondContact O-N 3.32Å; K118-K121 PolarHBondContact O-N 3.42Å; K118-T122 WeakPolarHBondContact O-CG2 3.39Å; K118-T122 PolarHBondContact O-N 3.2Å; K118-T122 PolarHBondContact O-OG1 3.4Å; K118-E149 IonicContact NZ-OE2 3.33Å; K118-E149 PolarHBondContact NZ-OE2 2.82Å; K118-I154 HydrophobicContact CB-CD1 4.25Å; K118-I154 HydrophobicContact CD-CD1 3.92Å; K118-I154 HydrophobicContact CD-CG1 4.32Å; K118-I154 HydrophobicContact CG-CD1 3.76Å
119	L	92.5	Very high	84.3	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-52.5	178.4	-175.9	63.3	0	0	0	111	L115 V116 K121 T122 H123 P151 I154 V155 L158 L304	L115-L119 WeakPolarHBondContact O-CB 3.26Å; L115-L119 PolarHBondContact O-N 2.94Å; V116-L119 WeakPolarHBondContact O-CB 3.35Å; V116-L119 PolarHBondContact O-N 3.46Å; V116-L119 VanDerWaalsContact O-N 3.08Å; L119-K121 VanDerWaalsContact C-N 3.32Å; L119-K121 PolarHBondContact O-N 3.46Å; L119-T122 PolarHBondContact O-N 3.25Å; L119-T122 VanDerWaalsContact O-N 3.16Å; L119-T122 PolarHBondContact O-OG1 2.93Å; L119-H123 PolarHBondContact O-N 2.84Å; L119-P151 HydrophobicContact CD1-CB 4Å; L119-I154 HydrophobicContact CB-CG2 3.95Å; L119-I154 HydrophobicContact CD1-CB 4.32Å; L119-I154 HydrophobicContact CD1-CG2 4.36Å; L119-V155 HydrophobicContact CD1-CG2 4.09Å; L119-V155 HydrophobicContact CD2-CG2 4.36Å; L119-L158 HydrophobicContact CD2-CD1 4.17Å; L119-L304 HydrophobicContact CD2-CD2 4.36Å; L119-L304 HydrophobicContact CD2-CG 4.23Å; L119-L304 HydrophobicContact CG-CD1 4.46Å
120	I	88	Confident	83.1	Confident	22 Å²	22	46.1 Å²	46.1	11%	0.113	24%	0.239	C	C	.	.	H	α-helix	trans	-54.2	-50.5	178.3	-65.8	164.1	0	0	0	110.2	V116 T122 H123 L124 N254 L304	V116-I120 HydrophobicContact CG1-CD1 3.88Å; V116-I120 HydrophobicContact CG1-CG1 4.45Å; V116-I120 WeakPolarHBondContact O-CG1 3.29Å; V116-I120 PolarHBondContact O-N 3.28Å; I120-T122 PolarHBondContact O-N 3.36Å; I120-H123 WeakPolarHBondContact O-CB 3.48Å; I120-H123 PolarHBondContact O-N 2.89Å; I120-H123 VanDerWaalsContact O-N 3.08Å; I120-L124 HydrophobicContact CG2-CD1 3.88Å; I120-L124 HydrophobicContact CG2-CG 4.31Å; I120-L124 WeakPolarHBondContact O-CG 3.2Å; I120-L124 PolarHBondContact O-N 2.92Å; I120-N254 HydrophobicContact CD1-CB 3.88Å; I120-N254 WeakPolarHBondContact CD1-ND2 3.34Å; I120-N254 HydrophobicContact CG1-CB 4.19Å; I120-L304 HydrophobicContact CG1-CD2 4.29Å
121	K	88.1	Confident	81.4	Confident	131 Å²	131	53 Å²	53	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-58.1	-45.9	179.5	-174.8	178.8	176.3	-176	0	112.5	E117 K118 L119 H123 L124 E125	E117-K121 WeakPolarHBondContact O-CB 3.35Å; E117-K121 PolarHBondContact O-N 3.47Å; E117-K121 VanDerWaalsContact O-N 3.11Å; K118-K121 PolarHBondContact O-N 3.42Å; L119-K121 VanDerWaalsContact C-N 3.32Å; L119-K121 PolarHBondContact O-N 3.46Å; K121-H123 PolarHBondContact O-N 3.04Å; K121-L124 PolarHBondContact O-N 3.22Å; K121-E125 WeakPolarHBondContact CE-OE1 3.33Å; K121-E125 WeakPolarHBondContact O-CB 3.25Å; K121-E125 WeakPolarHBondContact O-CG 3.4Å; K121-E125 PolarHBondContact O-N 3.45Å
122	T	88	Confident	79.3	Confident	16 Å²	16	55.7 Å²	55.7	10%	0.098	28%	0.28	C	S	.	.	H	α-helix	trans	-64.8	-30.5	178.7	57.4	0	0	0	0	112.9	K118 L119 I120 K126 I154	K118-T122 WeakPolarHBondContact O-CG2 3.39Å; K118-T122 PolarHBondContact O-N 3.2Å; K118-T122 PolarHBondContact O-OG1 3.4Å; L119-T122 PolarHBondContact O-N 3.25Å; L119-T122 VanDerWaalsContact O-N 3.16Å; L119-T122 PolarHBondContact O-OG1 2.93Å; I120-T122 PolarHBondContact O-N 3.36Å; T122-K126 WeakPolarHBondContact O-CG 3.42Å; T122-K126 PolarHBondContact O-N 3.08Å; T122-I154 HydrophobicContact CG2-CD1 4.03Å
123	H	83.9	Confident	77	Confident	41 Å²	41	62.7 Å²	62.7	19%	0.19	32%	0.317	C	S	.	.	H	α-helix	trans	-74	-46.6	177.6	-161.7	58.3	0	0	0	111.8	L119 I120 K121 E125 K126 A127 Y252 L304	L119-H123 PolarHBondContact O-N 2.84Å; I120-H123 WeakPolarHBondContact O-CB 3.48Å; I120-H123 PolarHBondContact O-N 2.89Å; I120-H123 VanDerWaalsContact O-N 3.08Å; K121-H123 PolarHBondContact O-N 3.04Å; H123-E125 VanDerWaalsContact C-N 3.34Å; H123-E125 PolarHBondContact O-N 3.35Å; H123-K126 PolarHBondContact O-N 3.02Å; H123-A127 PolarHBondContact O-N 3.42Å; H123-Y252 AromaticContact CD2-CE1 3.92Å; H123-Y252 AromaticContact CD2-CE2 3.81Å; H123-Y252 AromaticContact CD2-CZ 3.72Å; H123-Y252 AromaticContact NE2-CD1 3.86Å; H123-Y252 AromaticContact NE2-CE1 3.24Å; H123-Y252 WeakPolarHBondContact NE2-CE1 3.48Å; H123-Y252 AromaticContact NE2-CE2 3.84Å; H123-Y252 AromaticContact NE2-CZ 3.23Å; H123-Y252 PolarHBondContact NE2-OH 3.13Å; H123-L304 HydrophobicContact CB-CD1 3.88Å
124	L	81.9	Confident	75.1	Confident	81 Å²	81	64.8 Å²	64.8	42%	0.424	34%	0.338	S	S	.	.	H	α-helix	trans	-61.4	-40.1	176.4	-69.2	178.1	0	0	0	112.4	I120 K121 A127 A128 D250	I120-L124 HydrophobicContact CG2-CD1 3.88Å; I120-L124 HydrophobicContact CG2-CG 4.31Å; I120-L124 WeakPolarHBondContact O-CG 3.2Å; I120-L124 PolarHBondContact O-N 2.92Å; K121-L124 PolarHBondContact O-N 3.22Å; L124-A127 PolarHBondContact O-N 2.94Å; L124-A128 WeakPolarHBondContact O-CB 3.4Å; L124-A128 PolarHBondContact O-N 2.91Å; L124-D250 HydrophobicContact CD2-CB 4.34Å
125	E	82.4	Confident	72.2	Confident	66 Å²	66	71.5 Å²	71.5	31%	0.308	37%	0.372	S	S	.	.	H	α-helix	trans	-61.3	-43.6	175.3	-76	176.6	177.8	0	0	111.7	K121 H123 A128 D129	K121-E125 WeakPolarHBondContact CE-OE1 3.33Å; K121-E125 WeakPolarHBondContact O-CB 3.25Å; K121-E125 WeakPolarHBondContact O-CG 3.4Å; K121-E125 PolarHBondContact O-N 3.45Å; H123-E125 VanDerWaalsContact C-N 3.34Å; H123-E125 PolarHBondContact O-N 3.35Å; E125-A128 PolarHBondContact O-N 3.47Å; E125-D129 PolarHBondContact O-N 3.21Å
126	K	77.9	Confident	69.3	Low	117 Å²	117	75.6 Å²	75.6	51%	0.509	42%	0.415	S	S	.	.	H	α-helix	trans	-64.6	-41.1	176.3	-76.6	-178.7	177.8	-172.9	0	112.6	T122 H123 A128 D129 S130 P151	T122-K126 WeakPolarHBondContact O-CG 3.42Å; T122-K126 PolarHBondContact O-N 3.08Å; H123-K126 PolarHBondContact O-N 3.02Å; K126-A128 VanDerWaalsContact C-N 3.34Å; K126-D129 PolarHBondContact O-N 3.34Å; K126-S130 PolarHBondContact O-N 3.26Å; K126-P151 HydrophobicContact CD-CG 4.45Å
127	A	72.5	Confident	66.3	Low	43 Å²	43	77.2 Å²	77.2	36%	0.355	43%	0.432	S	S	.	.	H	α-helix	trans	-62.9	-42	176.6	0	0	0	0	0	111.3	H123 L124 S130 H131	H123-A127 PolarHBondContact O-N 3.42Å; L124-A127 PolarHBondContact O-N 2.94Å; A127-S130 PolarHBondContact O-N 3.35Å; A127-H131 PolarHBondContact O-N 2.87Å
128	A	71.3	Confident	63.6	Low	43 Å²	43	78.6 Å²	78.6	36%	0.355	45%	0.446	S	S	.	.	H	α-helix	trans	-65.1	-41	176.9	0	0	0	0	0	112.7	L124 E125 K126 H131 R132	L124-A128 WeakPolarHBondContact O-CB 3.4Å; L124-A128 PolarHBondContact O-N 2.91Å; E125-A128 PolarHBondContact O-N 3.47Å; K126-A128 VanDerWaalsContact C-N 3.34Å; A128-H131 PolarHBondContact O-N 2.75Å; A128-R132 PolarHBondContact O-N 2.99Å
129	D	61.9	Low	60.8	Low	89 Å²	89	83 Å²	83	48%	0.476	48%	0.476	S	S	.	.	H	α-helix	trans	-70	-34.1	178.9	-78.6	-13.4	0	0	0	112.8	E125 K126 H131 R132 N133	E125-D129 PolarHBondContact O-N 3.21Å; K126-D129 PolarHBondContact O-N 3.34Å; D129-H131 VanDerWaalsContact C-N 3.29Å; D129-H131 PolarHBondContact O-N 3.18Å; D129-R132 PolarHBondContact O-N 3.05Å; D129-R132 IonicContact OD1-NH1 2.76Å; D129-N133 PolarHBondContact O-N 2.84Å; D129-N133 VanDerWaalsContact O-N 3.08Å
130	S	58.1	Low	58.2	Low	82 Å²	82	89.8 Å²	89.8	57%	0.573	51%	0.507	S	S	*	.	H	α-helix	trans	-59.2	-41.3	171	-170.7	0	0	0	0	111.4	K126 A127 T134	K126-S130 PolarHBondContact O-N 3.26Å; A127-S130 PolarHBondContact O-N 3.35Å; S130-T134 PolarHBondContact O-OG1 3.39Å
131	H	45.7	Very low	55.6	Low	146 Å²	146	97.9 Å²	97.9	68%	0.676	54%	0.541	S	S	*	.	H	α-helix	trans	-72.3	-36.6	174.8	-86.5	-70.5	0	0	0	113.6	A127 A128 D129 N133 T134 M135	A127-H131 PolarHBondContact O-N 2.87Å; A128-H131 PolarHBondContact O-N 2.75Å; D129-H131 VanDerWaalsContact C-N 3.29Å; D129-H131 PolarHBondContact O-N 3.18Å; H131-N133 VanDerWaalsContact C-N 3.34Å; H131-N133 PolarHBondContact O-N 3.35Å; H131-T134 PolarHBondContact O-N 3.48Å; H131-M135 PolarHBondContact O-N 2.85Å; H131-M135 VanDerWaalsContact O-N 3.15Å
132	R	45.1	Very low	53.2	Low	69 Å²	69	96.4 Å²	96.4	26%	0.26	54%	0.544	S	S	.	.	H	α-helix	trans	-63.6	-34.3	176.1	-84	-177.4	166.8	123.8	14.5	114.2	A128 D129 T134 M135 G137 V138	A128-R132 PolarHBondContact O-N 2.99Å; D129-R132 PolarHBondContact O-N 3.05Å; D129-R132 IonicContact OD1-NH1 2.76Å; R132-T134 PolarHBondContact O-N 3.25Å; R132-M135 CarbonylContact O-C 3.53Å; R132-M135 PolarHBondContact O-N 2.83Å; R132-G137 WeakPolarHBondContact CD-O 3.49Å; R132-G137 WeakPolarHBondContact CG-O 3.13Å; R132-G137 PolarHBondContact NE-O 2.85Å; R132-V138 PolarHBondContact NE-O 2.81Å; R132-V138 PolarHBondContact NH1-O 3.29Å; R132-V138 PolarHBondContact NH2-O 2.79Å
133	N	41.9	Very low	50.6	Low	155 Å²	155	103.2 Å²	103.2	83%	0.829	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-10.7	174.7	-85.9	-17.1	0	0	0	113	D129 H131	D129-N133 PolarHBondContact O-N 2.84Å; D129-N133 VanDerWaalsContact O-N 3.08Å; H131-N133 VanDerWaalsContact C-N 3.34Å; H131-N133 PolarHBondContact O-N 3.35Å
134	T	46.5	Very low	47.9	Very low	111 Å²	111	107.6 Å²	107.6	68%	0.681	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-25	175.3	-45.3	0	0	0	0	112.6	S130 H131 R132	S130-T134 PolarHBondContact O-OG1 3.39Å; H131-T134 PolarHBondContact O-N 3.48Å; R132-T134 PolarHBondContact O-N 3.25Å
135	M	27.8	Very low	45.9	Very low	158 Å²	158	107.5 Å²	107.5	78%	0.778	63%	0.63	S	S	*	*	S	Bend	trans	-141.4	111.5	168.2	-71.5	-168.5	-148.2	0	0	110.2	H131 R132 G137	H131-M135 PolarHBondContact O-N 2.85Å; H131-M135 VanDerWaalsContact O-N 3.15Å; R132-M135 CarbonylContact O-C 3.53Å; R132-M135 PolarHBondContact O-N 2.83Å; M135-G137 PolarHBondContact O-N 3.15Å
136	G	31.8	Very low	44	Very low	90 Å²	90	112 Å²	112	93%	0.928	65%	0.645	S	S	*	*			trans	-55.5	111.7	-174.2	0	0	0	0	0	113.2
137	G	28.4	Very low	42.6	Very low	37 Å²	37	115.3 Å²	115.3	38%	0.381	66%	0.662	S	S	.	*			trans	-171.9	106.5	176.7	0	0	0	0	0	116.1	R132 M135	R132-G137 WeakPolarHBondContact CD-O 3.49Å; R132-G137 WeakPolarHBondContact CG-O 3.13Å; R132-G137 PolarHBondContact NE-O 2.85Å; M135-G137 PolarHBondContact O-N 3.15Å
138	V	30.3	Very low	42.3	Very low	118 Å²	118	117.3 Å²	117.3	72%	0.715	68%	0.678	S	S	*	*			trans	74.9	82.3	151.9	-165.4	0	0	0	0	118.6	R132 H140	R132-V138 PolarHBondContact NE-O 2.81Å; R132-V138 PolarHBondContact NH1-O 3.29Å; R132-V138 PolarHBondContact NH2-O 2.79Å; V138-H140 PolarHBondContact O-N 2.84Å; V138-H140 VanDerWaalsContact O-N 3.09Å
139	V	32.2	Very low	42.5	Very low	123 Å²	123	117.2 Å²	117.2	75%	0.745	67%	0.671	S	S	*	*			trans	-44.4	116	167.3	-180	0	0	0	0	112.1	K141	V139-K141 PolarHBondContact O-N 3.18Å
140	H	37.7	Very low	43.7	Very low	147 Å²	147	115.6 Å²	115.6	68%	0.681	67%	0.666	S	S	*	*			trans	-71.8	109.4	162.9	-134.2	73.4	0	0	0	106.2	V138 T142	V138-H140 PolarHBondContact O-N 2.84Å; V138-H140 VanDerWaalsContact O-N 3.09Å; H140-T142 PolarHBondContact O-N 3.44Å
141	K	33.7	Very low	45.3	Very low	192 Å²	192	112.5 Å²	112.5	84%	0.835	64%	0.644	S	S	*	*			trans	-69.1	97.1	177.8	-75.4	-178.8	178	176.5	0	108.4	V139	V139-K141 PolarHBondContact O-N 3.18Å
142	T	37.4	Very low	47.5	Very low	101 Å²	101	110.8 Å²	110.8	62%	0.62	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-58.9	133.9	157.6	38.5	0	0	0	0	108.2	H140	H140-T142 PolarHBondContact O-N 3.44Å
143	L	33.7	Very low	49.7	Very low	158 Å²	158	113.4 Å²	113.4	83%	0.827	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-54.5	126	177.7	-81.4	153.3	0	0	0	109.1	G145	L143-G145 PolarHBondContact O-N 2.86Å
144	P	28.5	Very low	52.2	Low	133 Å²	133	106 Å²	106	86%	0.864	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	121.1	-177.2	12.7	-6.2	0	0	0	109.8
145	G	38.2	Very low	54.5	Low	80 Å²	80	101 Å²	101	83%	0.825	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	139.2	-4.9	172.7	0	0	0	0	0	116.2	L143	L143-G145 PolarHBondContact O-N 2.86Å
146	Y	43	Very low	57.7	Low	160 Å²	160	97.5 Å²	97.5	63%	0.627	57%	0.568	S	S	*	*			trans	-123.6	116.2	176.8	-134.4	-100.4	0	0	0	109.5	A148	Y146-A148 PolarHBondContact O-N 2.86Å; Y146-A148 VanDerWaalsContact O-N 3.15Å
147	E	50	Low	60.7	Low	187 Å²	187	95.6 Å²	95.6	87%	0.874	53%	0.534	S	S	*	.			trans	-60.4	116.5	171.5	-107.5	174.5	171.3	0	0	107.9	E149	E147-E149 PolarHBondContact O-N 3.09Å
148	A	64.5	Low	63.8	Low	84 Å²	84	94 Å²	94	69%	0.694	52%	0.516	S	S	*	.			trans	-57.4	110.9	173	0	0	0	0	0	107.9	Y146 S150	Y146-A148 PolarHBondContact O-N 2.86Å; Y146-A148 VanDerWaalsContact O-N 3.15Å; A148-S150 PolarHBondContact O-N 2.99Å
149	E	76.6	Confident	66.9	Low	42 Å²	42	92.4 Å²	92.4	20%	0.196	50%	0.5	C	S	.	.			trans	-61.3	125.4	-179.4	-162.8	166.1	-153.1	0	0	108.2	K118 E147 K153 I154 K157	K118-E149 IonicContact NZ-OE2 3.33Å; K118-E149 PolarHBondContact NZ-OE2 2.82Å; E147-E149 PolarHBondContact O-N 3.09Å; E149-K153 HydrophobicContact CG-CB 3.91Å; E149-K153 HydrophobicContact CG-CD 4.08Å; E149-I154 HydrophobicContact CG-CG1 4.44Å; E149-K157 VanDerWaalsContact CD-NZ 3.32Å; E149-K157 WeakPolarHBondContact OE1-CE 3.33Å; E149-K157 IonicContact OE1-NZ 3.91Å; E149-K157 PolarHBondContact OE1-NZ 3.4Å; E149-K157 IonicContact OE2-NZ 3.25Å; E149-K157 PolarHBondContact OE2-NZ 3.33Å; E149-K157 VanDerWaalsContact OE2-NZ 3.07Å
150	S	87.5	Confident	69.9	Low	55 Å²	55	93.1 Å²	93.1	39%	0.385	49%	0.493	S	S	.	.			trans	-57.7	140.4	-177.6	178.1	0	0	0	0	110.7	A148 N152 K153 I154	A148-S150 PolarHBondContact O-N 2.99Å; S150-N152 PolarHBondContact O-N 2.89Å; S150-N152 VanDerWaalsContact O-N 3.12Å; S150-K153 WeakPolarHBondContact O-CA 3.36Å; S150-K153 WeakPolarHBondContact O-CB 3.35Å; S150-K153 PolarHBondContact O-N 3.44Å; S150-I154 PolarHBondContact O-N 2.7Å
151	P	90.3	Very high	72.6	Confident	16 Å²	16	86.7 Å²	86.7	10%	0.104	46%	0.463	C	S	.	.	H	α-helix	trans	-49.5	-41.2	177.7	-31.4	37.6	0	0	0	113.4	L119 K126 K153 I154 V155	L119-P151 HydrophobicContact CD1-CB 4Å; K126-P151 HydrophobicContact CD-CG 4.45Å; P151-K153 VanDerWaalsContact C-N 3.25Å; P151-K153 PolarHBondContact O-N 2.92Å; P151-I154 WeakPolarHBondContact O-CA 3.26Å; P151-I154 WeakPolarHBondContact O-CB 3.4Å; P151-I154 PolarHBondContact O-N 3.45Å; P151-V155 WeakPolarHBondContact O-CG2 3.39Å; P151-V155 PolarHBondContact O-N 2.89Å
152	N	91.9	Very high	75.5	Confident	110 Å²	110	77.9 Å²	77.9	59%	0.588	43%	0.425	S	S	*	.	H	α-helix	trans	-59.8	-35.1	178.3	-62.4	8.9	0	0	0	112.6	S150 I154 V155 D156	S150-N152 PolarHBondContact O-N 2.89Å; S150-N152 VanDerWaalsContact O-N 3.12Å; N152-I154 VanDerWaalsContact C-N 3.34Å; N152-V155 PolarHBondContact O-N 2.94Å; N152-D156 PolarHBondContact O-N 3.08Å
153	K	92.7	Very high	78.2	Confident	124 Å²	124	78.2 Å²	78.2	54%	0.539	42%	0.424	S	S	.	.	H	α-helix	trans	-69.3	-34.6	175.6	-70.1	-173.8	176.7	-177.3	0	111.7	E149 S150 P151 D156 K157	E149-K153 HydrophobicContact CG-CB 3.91Å; E149-K153 HydrophobicContact CG-CD 4.08Å; S150-K153 WeakPolarHBondContact O-CA 3.36Å; S150-K153 WeakPolarHBondContact O-CB 3.35Å; S150-K153 PolarHBondContact O-N 3.44Å; P151-K153 VanDerWaalsContact C-N 3.25Å; P151-K153 PolarHBondContact O-N 2.92Å; K153-D156 PolarHBondContact O-N 2.84Å; K153-K157 WeakPolarHBondContact O-CG 3.35Å; K153-K157 PolarHBondContact O-N 3.34Å; K153-K157 VanDerWaalsContact O-N 3.07Å
154	I	93.2	Very high	81	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-67.6	-44.5	175.8	-57.4	171.1	0	0	0	109.4	L115 K118 L119 T122 E149 S150 P151 N152 D156 K157 L158	L115-I154 HydrophobicContact CB-CG2 4.21Å; L115-I154 HydrophobicContact CD2-CG2 4.33Å; L115-I154 VanDerWaalsContact O-CG2 3.26Å; L115-I154 WeakPolarHBondContact O-CG2 3.41Å; K118-I154 HydrophobicContact CB-CD1 4.25Å; K118-I154 HydrophobicContact CD-CD1 3.92Å; K118-I154 HydrophobicContact CD-CG1 4.32Å; K118-I154 HydrophobicContact CG-CD1 3.76Å; L119-I154 HydrophobicContact CB-CG2 3.95Å; L119-I154 HydrophobicContact CD1-CB 4.32Å; L119-I154 HydrophobicContact CD1-CG2 4.36Å; T122-I154 HydrophobicContact CG2-CD1 4.03Å; E149-I154 HydrophobicContact CG-CG1 4.44Å; S150-I154 PolarHBondContact O-N 2.7Å; P151-I154 WeakPolarHBondContact O-CA 3.26Å; P151-I154 WeakPolarHBondContact O-CB 3.4Å; P151-I154 PolarHBondContact O-N 3.45Å; N152-I154 VanDerWaalsContact C-N 3.34Å; I154-D156 VanDerWaalsContact C-N 3.34Å; I154-D156 PolarHBondContact O-N 2.84Å; I154-K157 WeakPolarHBondContact O-CB 3.37Å; I154-K157 PolarHBondContact O-N 2.94Å; I154-K157 VanDerWaalsContact O-N 3.14Å; I154-L158 HydrophobicContact CG2-CD1 4.27Å; I154-L158 PolarHBondContact O-N 3.37Å
155	V	94.6	Very high	84	Confident	6 Å²	6	69.1 Å²	69.1	4%	0.036	37%	0.365	C	S	.	.	H	α-helix	trans	-58.1	-44.3	173.3	173.9	0	0	0	0	111.6	L119 P151 N152 K157 L158 K159 N302 Y303	L119-V155 HydrophobicContact CD1-CG2 4.09Å; L119-V155 HydrophobicContact CD2-CG2 4.36Å; P151-V155 WeakPolarHBondContact O-CG2 3.39Å; P151-V155 PolarHBondContact O-N 2.89Å; N152-V155 PolarHBondContact O-N 2.94Å; V155-K157 VanDerWaalsContact C-N 3.29Å; V155-K157 PolarHBondContact O-N 2.94Å; V155-L158 PolarHBondContact O-N 3.08Å; V155-K159 HydrophobicContact CG1-CD 4.3Å; V155-K159 WeakPolarHBondContact O-CG 3.33Å; V155-K159 PolarHBondContact O-N 3.32Å; V155-N302 WeakPolarHBondContact CG2-O 3.46Å; V155-Y303 HydrophobicContact CB-CG 4.49Å; V155-Y303 HydrophobicContact CG1-CD1 4.3Å; V155-Y303 HydrophobicContact CG1-CD2 3.5Å; V155-Y303 HydrophobicContact CG1-CE2 3.79Å; V155-Y303 HydrophobicContact CG1-CG 3.83Å; V155-Y303 HydrophobicContact CG2-CD2 4.47Å; V155-Y303 HydrophobicContact CG2-CG 4.17Å
156	D	95.2	Very high	86.6	Confident	85 Å²	85	67 Å²	67	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-62.7	-35.5	176.8	-70.9	-21.5	0	0	0	112.4	N152 K153 I154 K160	N152-D156 PolarHBondContact O-N 3.08Å; K153-D156 PolarHBondContact O-N 2.84Å; I154-D156 VanDerWaalsContact C-N 3.34Å; I154-D156 PolarHBondContact O-N 2.84Å; D156-K160 WeakPolarHBondContact O-CG 3.45Å; D156-K160 PolarHBondContact O-N 3.16Å; D156-K160 VanDerWaalsContact O-N 3.13Å
157	K	94.7	Very high	89	Confident	49 Å²	49	65.6 Å²	65.6	21%	0.213	33%	0.327	C	S	.	.	H	α-helix	trans	-67.7	-42.2	173.7	-74.1	177.1	173.4	-177	0	111.8	E59 L115 E149 K153 I154 V155 K159 K160 L161	E59-K157 IonicContact OE1-NZ 3.38Å; L115-K157 HydrophobicContact CD1-CB 3.85Å; L115-K157 HydrophobicContact CD2-CB 4.24Å; L115-K157 HydrophobicContact CD2-CD 3.88Å; E149-K157 VanDerWaalsContact CD-NZ 3.32Å; E149-K157 WeakPolarHBondContact OE1-CE 3.33Å; E149-K157 IonicContact OE1-NZ 3.91Å; E149-K157 PolarHBondContact OE1-NZ 3.4Å; E149-K157 IonicContact OE2-NZ 3.25Å; E149-K157 PolarHBondContact OE2-NZ 3.33Å; E149-K157 VanDerWaalsContact OE2-NZ 3.07Å; K153-K157 WeakPolarHBondContact O-CG 3.35Å; K153-K157 PolarHBondContact O-N 3.34Å; K153-K157 VanDerWaalsContact O-N 3.07Å; I154-K157 WeakPolarHBondContact O-CB 3.37Å; I154-K157 PolarHBondContact O-N 2.94Å; I154-K157 VanDerWaalsContact O-N 3.14Å; V155-K157 VanDerWaalsContact C-N 3.29Å; V155-K157 PolarHBondContact O-N 2.94Å; K157-K159 VanDerWaalsContact C-N 3.35Å; K157-K159 PolarHBondContact O-N 2.85Å; K157-K160 PolarHBondContact O-N 2.96Å; K157-L161 PolarHBondContact O-N 3.46Å
158	L	95	Very high	90.9	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-42.8	176	-73.7	163.8	0	0	0	111.5	K112 L115 V116 L119 I154 V155 K160 L161 D162 I255 Y303	K112-L158 HydrophobicContact CG-CD2 4.09Å; L115-L158 HydrophobicContact CB-CD1 4.44Å; L115-L158 HydrophobicContact CB-CD2 3.64Å; L115-L158 HydrophobicContact CB-CG 3.93Å; L115-L158 HydrophobicContact CD1-CD2 4.08Å; L115-L158 HydrophobicContact CD1-CG 4.24Å; V116-L158 HydrophobicContact CG2-CD1 4.48Å; V116-L158 HydrophobicContact CG2-CD2 4.08Å; L119-L158 HydrophobicContact CD2-CD1 4.17Å; I154-L158 HydrophobicContact CG2-CD1 4.27Å; I154-L158 PolarHBondContact O-N 3.37Å; V155-L158 PolarHBondContact O-N 3.08Å; L158-K160 PolarHBondContact O-N 3.02Å; L158-L161 WeakPolarHBondContact O-CB 3.25Å; L158-L161 PolarHBondContact O-N 3.11Å; L158-D162 PolarHBondContact O-N 2.71Å; L158-I255 HydrophobicContact CD1-CD1 3.97Å; L158-I255 HydrophobicContact CD2-CD1 4.18Å; L158-Y303 HydrophobicContact CB-CD1 3.92Å; L158-Y303 HydrophobicContact CB-CE1 3.79Å; L158-Y303 HydrophobicContact CD1-CD1 3.92Å
159	K	95	Very high	92.3	Very high	85 Å²	85	54.8 Å²	54.8	37%	0.37	26%	0.262	S	S	.	.	H	α-helix	trans	-59.1	-45.9	173.7	-76	172.6	-177.5	175.3	0	112.6	V155 K157 L161 D162 D163 Y303	V155-K159 HydrophobicContact CG1-CD 4.3Å; V155-K159 WeakPolarHBondContact O-CG 3.33Å; V155-K159 PolarHBondContact O-N 3.32Å; K157-K159 VanDerWaalsContact C-N 3.35Å; K157-K159 PolarHBondContact O-N 2.85Å; K159-L161 VanDerWaalsContact C-N 3.28Å; K159-L161 PolarHBondContact O-N 3.36Å; K159-D162 WeakPolarHBondContact O-CB 3.28Å; K159-D162 PolarHBondContact O-N 2.83Å; K159-D163 PolarHBondContact O-N 3.38Å; K159-Y303 HydrophobicContact CD-CE2 4.43Å; K159-Y303 WeakPolarHBondContact CE-OH 3.31Å; K159-Y303 HydrophobicContact CG-CE1 4.27Å; K159-Y303 HydrophobicContact CG-CE2 4.22Å; K159-Y303 WeakPolarHBondContact CG-OH 3.37Å
160	K	95.1	Very high	93.2	Very high	138 Å²	138	57.2 Å²	57.2	60%	0.6	27%	0.273	S	S	*	.	H	α-helix	trans	-62.4	-37.5	177.1	-73.8	175.7	-178.4	-177	0	112.3	D156 K157 L158 D163 E164	D156-K160 WeakPolarHBondContact O-CG 3.45Å; D156-K160 PolarHBondContact O-N 3.16Å; D156-K160 VanDerWaalsContact O-N 3.13Å; K157-K160 PolarHBondContact O-N 2.96Å; L158-K160 PolarHBondContact O-N 3.02Å; K160-D163 PolarHBondContact O-N 2.95Å; K160-E164 PolarHBondContact O-N 3.18Å
161	L	93.1	Very high	93.4	Very high	12 Å²	12	59.7 Å²	59.7	6%	0.063	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-41.6	176.3	-169.7	65.7	0	0	0	111	D108 T111 K112 K157 L158 K159 D163 E164 Q165	D108-L161 HydrophobicContact CB-CD1 4.02Å; T111-L161 HydrophobicContact CG2-CD2 4.3Å; K112-L161 HydrophobicContact CB-CD2 3.63Å; K112-L161 HydrophobicContact CG-CD2 4.31Å; K157-L161 PolarHBondContact O-N 3.46Å; L158-L161 WeakPolarHBondContact O-CB 3.25Å; L158-L161 PolarHBondContact O-N 3.11Å; K159-L161 VanDerWaalsContact C-N 3.28Å; K159-L161 PolarHBondContact O-N 3.36Å; L161-D163 VanDerWaalsContact C-N 3.34Å; L161-D163 PolarHBondContact O-N 2.89Å; L161-E164 PolarHBondContact O-N 3.29Å; L161-Q165 WeakPolarHBondContact O-CB 3.48Å; L161-Q165 WeakPolarHBondContact O-CG 3.3Å; L161-Q165 PolarHBondContact O-N 3.36Å
162	D	94.7	Very high	93.4	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-42.4	173.7	-79.3	-11.5	0	0	0	112.9	L158 K159 Q165 E166 K287 R290 Q291	L158-D162 PolarHBondContact O-N 2.71Å; K159-D162 WeakPolarHBondContact O-CB 3.28Å; K159-D162 PolarHBondContact O-N 2.83Å; D162-Q165 PolarHBondContact O-N 2.76Å; D162-E166 WeakPolarHBondContact O-CB 3.5Å; D162-E166 PolarHBondContact O-N 2.9Å; D162-K287 HydrophobicContact CB-CD 4.28Å; D162-K287 PolarHBondContact O-NZ 3.1Å; D162-R290 IonicContact OD1-CZ 3.07Å; D162-R290 IonicContact OD1-NH1 3.59Å; D162-R290 IonicContact OD1-NH2 2.77Å; D162-R290 PolarHBondContact OD1-NH2 2.66Å; D162-R290 IonicContact OD2-CZ 2.86Å; D162-R290 IonicContact OD2-NH2 3.54Å; D162-R290 PolarHBondContact OD2-NH2 3.46Å; D162-Q291 PolarHBondContact OD2-NE2 3.06Å
163	D	95	Very high	93.5	Very high	109 Å²	109	56 Å²	56	58%	0.583	26%	0.257	S	S	*	.	H	α-helix	trans	-65.3	-39.7	177.1	-70	-24.4	0	0	0	111.3	K159 K160 L161 E166 R167	K159-D163 PolarHBondContact O-N 3.38Å; K160-D163 PolarHBondContact O-N 2.95Å; L161-D163 VanDerWaalsContact C-N 3.34Å; L161-D163 PolarHBondContact O-N 2.89Å; D163-E166 WeakPolarHBondContact O-CB 3.47Å; D163-E166 PolarHBondContact O-N 3.34Å; D163-R167 PolarHBondContact O-N 2.92Å
164	E	92.4	Very high	93.5	Very high	73 Å²	73	52.9 Å²	52.9	34%	0.341	25%	0.254	S	S	.	.	H	α-helix	trans	-66.5	-45.3	176.1	-177.7	164.8	-160.2	0	0	111.7	K160 L161 E166 R167 K168	K160-E164 PolarHBondContact O-N 3.18Å; L161-E164 PolarHBondContact O-N 3.29Å; E164-E166 VanDerWaalsContact C-N 3.26Å; E164-E166 PolarHBondContact O-N 3.36Å; E164-R167 WeakPolarHBondContact O-CB 3.29Å; E164-R167 PolarHBondContact O-N 3.31Å; E164-R167 IonicContact OE1-NH2 3.96Å; E164-K168 PolarHBondContact O-N 3.01Å
165	Q	90.5	Very high	93.5	Very high	27 Å²	27	59.5 Å²	59.5	13%	0.126	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-38.2	174	-72.5	-176.6	-17.5	0	0	111.5	D108 L161 D162 K168 Y169 K287	D108-Q165 HydrophobicContact CB-CG 4.22Å; L161-Q165 WeakPolarHBondContact O-CB 3.48Å; L161-Q165 WeakPolarHBondContact O-CG 3.3Å; L161-Q165 PolarHBondContact O-N 3.36Å; D162-Q165 PolarHBondContact O-N 2.76Å; Q165-K168 PolarHBondContact O-N 3.46Å; Q165-Y169 PolarHBondContact O-N 2.89Å; Q165-K287 HydrophobicContact CB-CD 4.38Å
166	E	92.9	Very high	93.4	Very high	35 Å²	35	62.4 Å²	62.4	16%	0.164	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-47.1	174.4	-175.1	61.1	-161.5	0	0	111.4	D162 D163 E164 K168 Y169 Q170 H284 K287 K288	D162-E166 WeakPolarHBondContact O-CB 3.5Å; D162-E166 PolarHBondContact O-N 2.9Å; D163-E166 WeakPolarHBondContact O-CB 3.47Å; D163-E166 PolarHBondContact O-N 3.34Å; E164-E166 VanDerWaalsContact C-N 3.26Å; E164-E166 PolarHBondContact O-N 3.36Å; E166-K168 VanDerWaalsContact C-N 3.34Å; E166-K168 PolarHBondContact O-N 3.39Å; E166-Y169 PolarHBondContact O-N 2.66Å; E166-Q170 HydrophobicContact CG-CG 4.38Å; E166-Q170 VanDerWaalsContact O-CG 3.3Å; E166-Q170 WeakPolarHBondContact O-CG 3.46Å; E166-Q170 PolarHBondContact O-N 2.77Å; E166-Q170 PolarHBondContact OE1-NE2 3.41Å; E166-H284 IonicContact OE1-CE1 3.97Å; E166-H284 PolarHBondContact OE1-CE1 2.97Å; E166-H284 IonicContact OE1-ND1 3.59Å; E166-H284 IonicContact OE2-CE1 2.68Å; E166-H284 PolarHBondContact OE2-CE1 3.07Å; E166-H284 VanDerWaalsContact OE2-CE1 3.24Å; E166-H284 IonicContact OE2-ND1 3.93Å; E166-H284 PolarHBondContact OE2-ND1 2.66Å; E166-K287 WeakPolarHBondContact OE2-CE 3.49Å; E166-K287 IonicContact OE2-NZ 3.72Å; E166-K287 PolarHBondContact OE2-NZ 3.19Å; E166-K288 IonicContact OE1-NZ 3.09Å; E166-K288 WeakPolarHBondContact OE2-CE 3.35Å; E166-K288 IonicContact OE2-NZ 3.92Å; E166-K288 PolarHBondContact OE2-NZ 2.94Å
167	R	94.7	Very high	93.3	Very high	130 Å²	130	61.8 Å²	61.8	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-60.6	-44.5	179.1	-175.6	178.8	61.9	92.6	-1.6	111.6	D163 E164 Y169 Q170 E171	D163-R167 PolarHBondContact O-N 2.92Å; E164-R167 WeakPolarHBondContact O-CB 3.29Å; E164-R167 PolarHBondContact O-N 3.31Å; E164-R167 IonicContact OE1-NH2 3.96Å; R167-Y169 VanDerWaalsContact C-N 3.35Å; R167-Y169 PolarHBondContact O-N 2.66Å; R167-Q170 PolarHBondContact O-N 2.87Å; R167-E171 WeakPolarHBondContact CG-OE1 3.16Å; R167-E171 IonicContact CZ-OE1 2.74Å; R167-E171 IonicContact NH1-OE1 3.82Å; R167-E171 PolarHBondContact NH1-OE1 2.73Å; R167-E171 WeakPolarHBondContact O-CG 3.49Å; R167-E171 PolarHBondContact O-N 3.01Å
168	K	90.3	Very high	93.3	Very high	32 Å²	32	62.9 Å²	62.9	14%	0.139	30%	0.303	C	S	.	.	H	α-helix	trans	-59	-45.3	176.6	-70.9	-179.2	178.4	178.7	0	111.5	D94 D108 E164 Q165 E166 E171 H172 W280	D94-K168 IonicContact OD2-NZ 3.69Å; D94-K168 PolarHBondContact OD2-NZ 2.9Å; D108-K168 IonicContact OD1-NZ 3.89Å; D108-K168 PolarHBondContact OD1-NZ 2.99Å; D108-K168 IonicContact OD2-NZ 3.74Å; D108-K168 PolarHBondContact OD2-NZ 3.03Å; E164-K168 PolarHBondContact O-N 3.01Å; Q165-K168 PolarHBondContact O-N 3.46Å; E166-K168 VanDerWaalsContact C-N 3.34Å; E166-K168 PolarHBondContact O-N 3.39Å; K168-E171 PolarHBondContact O-N 3.42Å; K168-H172 PolarHBondContact O-N 3.2Å; K168-W280 HydrophobicContact CB-CH2 4.11Å; K168-W280 HydrophobicContact CB-CZ3 3.74Å
169	Y	92.4	Very high	93.2	Very high	12 Å²	12	65.8 Å²	65.8	5%	0.047	32%	0.319	C	S	.	.	H	α-helix	trans	-60.3	-47.9	175	174	-102.7	0	0	0	112.2	Q165 E166 R167 E171 H172 V173 W280 H284 A328	Q165-Y169 PolarHBondContact O-N 2.89Å; E166-Y169 PolarHBondContact O-N 2.66Å; R167-Y169 VanDerWaalsContact C-N 3.35Å; R167-Y169 PolarHBondContact O-N 2.66Å; Y169-E171 VanDerWaalsContact C-N 3.27Å; Y169-E171 PolarHBondContact O-N 2.86Å; Y169-H172 WeakPolarHBondContact O-CB 3.36Å; Y169-H172 PolarHBondContact O-N 3.07Å; Y169-H172 VanDerWaalsContact O-N 3.09Å; Y169-V173 HydrophobicContact CD1-CG2 4.1Å; Y169-V173 HydrophobicContact CD2-CG2 4.12Å; Y169-V173 HydrophobicContact CE1-CG2 3.64Å; Y169-V173 HydrophobicContact CE2-CG2 3.63Å; Y169-V173 HydrophobicContact CG-CG2 4.35Å; Y169-V173 WeakPolarHBondContact O-CG2 3.24Å; Y169-V173 PolarHBondContact O-N 2.88Å; Y169-W280 HydrophobicContact CD2-CB 4.14Å; Y169-W280 WeakPolarHBondContact CD2-O 3.39Å; Y169-W280 HydrophobicContact CE2-CB 4.5Å; Y169-H284 HydrophobicContact CD1-CB 4.1Å; Y169-H284 AromaticContact CD1-CE1 3.51Å; Y169-H284 AromaticContact CD1-CG 3.6Å; Y169-H284 AromaticContact CD1-ND1 3.06Å; Y169-H284 WeakPolarHBondContact CD1-ND1 3.45Å; Y169-H284 HydrophobicContact CD2-CB 3.66Å; Y169-H284 HydrophobicContact CE1-CB 4.02Å; Y169-H284 AromaticContact CE1-CD2 3.72Å; Y169-H284 AromaticContact CE1-CE1 3.44Å; Y169-H284 VanDerWaalsContact CE1-CE1 3.44Å; Y169-H284 WeakPolarHBondContact CE1-CE1 3.44Å; Y169-H284 AromaticContact CE1-CG 3.4Å; Y169-H284 VanDerWaalsContact CE1-CG 3.4Å; Y169-H284 AromaticContact CE1-ND1 3.26Å; Y169-H284 VanDerWaalsContact CE1-ND1 3.26Å; Y169-H284 WeakPolarHBondContact CE1-ND1 3.3Å; Y169-H284 AromaticContact CE1-NE2 3.76Å; Y169-H284 HydrophobicContact CE2-CB 3.62Å; Y169-H284 AromaticContact CE2-CG 3.96Å; Y169-H284 HydrophobicContact CG-CB 3.9Å; Y169-H284 AromaticContact CG-CG 3.91Å; Y169-H284 AromaticContact CG-ND1 3.57Å; Y169-H284 AromaticContact CZ-CD2 3.89Å; Y169-H284 AromaticContact CZ-CG 3.59Å; Y169-H284 AromaticContact CZ-ND1 3.95Å; Y169-A328 VanDerWaalsContact OH-CB 3.26Å; Y169-A328 WeakPolarHBondContact OH-CB 3.46Å
170	Q	95.2	Very high	93.1	Very high	94 Å²	94	62.8 Å²	62.8	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-61.9	-36.1	179	-66.2	-62	-27.6	0	0	112.3	E166 R167 A174	E166-Q170 HydrophobicContact CG-CG 4.38Å; E166-Q170 VanDerWaalsContact O-CG 3.3Å; E166-Q170 WeakPolarHBondContact O-CG 3.46Å; E166-Q170 PolarHBondContact O-N 2.77Å; E166-Q170 PolarHBondContact OE1-NE2 3.41Å; R167-Q170 PolarHBondContact O-N 2.87Å; Q170-A174 WeakPolarHBondContact O-CB 3.38Å; Q170-A174 PolarHBondContact O-N 3.38Å
171	E	93.2	Very high	93.1	Very high	106 Å²	106	57 Å²	57	50%	0.495	28%	0.283	S	S	.	.	H	α-helix	trans	-64.5	-42.5	173.4	-72.7	172.1	-166	0	0	111.6	R167 K168 Y169 A174 K175	R167-E171 WeakPolarHBondContact CG-OE1 3.16Å; R167-E171 IonicContact CZ-OE1 2.74Å; R167-E171 IonicContact NH1-OE1 3.82Å; R167-E171 PolarHBondContact NH1-OE1 2.73Å; R167-E171 WeakPolarHBondContact O-CG 3.49Å; R167-E171 PolarHBondContact O-N 3.01Å; K168-E171 PolarHBondContact O-N 3.42Å; Y169-E171 VanDerWaalsContact C-N 3.27Å; Y169-E171 PolarHBondContact O-N 2.86Å; E171-A174 PolarHBondContact O-N 3.34Å; E171-K175 WeakPolarHBondContact O-CB 3.48Å; E171-K175 PolarHBondContact O-N 2.96Å
172	H	90	Very high	93.1	Very high	40 Å²	40	61 Å²	61	19%	0.185	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-52.4	174.2	176.4	70.3	0	0	0	111.9	K168 Y169 A174 K175 E176 D278 W280	K168-H172 PolarHBondContact O-N 3.2Å; Y169-H172 WeakPolarHBondContact O-CB 3.36Å; Y169-H172 PolarHBondContact O-N 3.07Å; Y169-H172 VanDerWaalsContact O-N 3.09Å; H172-A174 VanDerWaalsContact C-N 3.32Å; H172-A174 PolarHBondContact O-N 3.42Å; H172-K175 WeakPolarHBondContact O-CB 3.47Å; H172-K175 PolarHBondContact O-N 3Å; H172-K175 VanDerWaalsContact O-N 3.1Å; H172-E176 PolarHBondContact O-N 3.45Å; H172-D278 IonicContact CD2-OD2 2.85Å; H172-D278 IonicContact CE1-OD2 3.25Å; H172-D278 IonicContact NE2-OD1 2.97Å; H172-D278 IonicContact NE2-OD2 2.89Å; H172-D278 PolarHBondContact NE2-OD2 3.41Å; H172-W280 HydrophobicContact CB-CD2 4.37Å; H172-W280 AromaticContact CD2-CD1 3.82Å; H172-W280 AromaticContact CD2-CG 3.67Å; H172-W280 AromaticContact CE1-CD1 3.64Å; H172-W280 AromaticContact CG-CD1 3.98Å; H172-W280 AromaticContact CG-CG 3.95Å; H172-W280 AromaticContact ND1-CD1 3.92Å; H172-W280 AromaticContact ND1-NE1 3.98Å; H172-W280 AromaticContact NE2-CD1 3.59Å; H172-W280 AromaticContact NE2-CG 3.86Å
173	V	93.1	Very high	93	Very high	8 Å²	8	66.2 Å²	66.2	5%	0.048	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-42.1	177.9	176.5	0	0	0	0	111.3	Y169 K175 E176 K177 E332	Y169-V173 HydrophobicContact CD1-CG2 4.1Å; Y169-V173 HydrophobicContact CD2-CG2 4.12Å; Y169-V173 HydrophobicContact CE1-CG2 3.64Å; Y169-V173 HydrophobicContact CE2-CG2 3.63Å; Y169-V173 HydrophobicContact CG-CG2 4.35Å; Y169-V173 WeakPolarHBondContact O-CG2 3.24Å; Y169-V173 PolarHBondContact O-N 2.88Å; V173-K175 VanDerWaalsContact C-N 3.29Å; V173-K175 PolarHBondContact O-N 3.49Å; V173-E176 PolarHBondContact O-N 3Å; V173-K177 HydrophobicContact CG1-CD 4.03Å; V173-K177 HydrophobicContact CG1-CG 4.36Å; V173-K177 WeakPolarHBondContact O-CB 3.31Å; V173-K177 VanDerWaalsContact O-CG 3.25Å; V173-K177 WeakPolarHBondContact O-CG 3.22Å; V173-K177 PolarHBondContact O-N 3.35Å; V173-E332 WeakPolarHBondContact CG2-OE1 3.46Å
174	A	94.1	Very high	93	Very high	59 Å²	59	61.1 Å²	61.1	49%	0.488	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-38.5	177.9	0	0	0	0	0	112	Q170 E171 H172 S178	Q170-A174 WeakPolarHBondContact O-CB 3.38Å; Q170-A174 PolarHBondContact O-N 3.38Å; E171-A174 PolarHBondContact O-N 3.34Å; H172-A174 VanDerWaalsContact C-N 3.32Å; H172-A174 PolarHBondContact O-N 3.42Å; A174-S178 WeakPolarHBondContact O-CB 3.33Å; A174-S178 PolarHBondContact O-N 3.39Å
175	K	93	Very high	93	Very high	139 Å²	139	59.3 Å²	59.3	60%	0.604	29%	0.291	S	S	*	.	H	α-helix	trans	-67.1	-49.3	176.3	-176.4	-177.9	175	-171.3	0	111.5	E171 H172 V173 K177 S178 D179	E171-K175 WeakPolarHBondContact O-CB 3.48Å; E171-K175 PolarHBondContact O-N 2.96Å; H172-K175 WeakPolarHBondContact O-CB 3.47Å; H172-K175 PolarHBondContact O-N 3Å; H172-K175 VanDerWaalsContact O-N 3.1Å; V173-K175 VanDerWaalsContact C-N 3.29Å; V173-K175 PolarHBondContact O-N 3.49Å; K175-K177 VanDerWaalsContact C-N 3.32Å; K175-K177 PolarHBondContact O-N 3.27Å; K175-S178 WeakPolarHBondContact O-CB 3.33Å; K175-S178 PolarHBondContact O-N 2.89Å; K175-S178 VanDerWaalsContact O-N 3.15Å; K175-D179 PolarHBondContact O-N 2.87Å
176	E	92	Very high	93.1	Very high	67 Å²	67	64.9 Å²	64.9	31%	0.313	32%	0.315	S	S	.	.	H	α-helix	trans	-50.6	-50.9	173.3	-84.3	-97	112.9	0	0	111.5	H172 V173 S178 D179 M180 K336	H172-E176 PolarHBondContact O-N 3.45Å; V173-E176 PolarHBondContact O-N 3Å; E176-S178 PolarHBondContact O-N 3.49Å; E176-D179 PolarHBondContact O-N 2.95Å; E176-M180 WeakPolarHBondContact O-CB 3.37Å; E176-M180 PolarHBondContact O-N 3.46Å; E176-K336 IonicContact OE2-NZ 2.65Å; E176-K336 PolarHBondContact OE2-NZ 3.44Å
177	K	93.6	Very high	93.1	Very high	73 Å²	73	66.5 Å²	66.5	32%	0.317	32%	0.322	S	S	.	.	H	α-helix	trans	-63.4	-42	178.7	-69.7	-177.3	177.4	168.9	0	112.2	V173 K175 M180 V181 F335	V173-K177 HydrophobicContact CG1-CD 4.03Å; V173-K177 HydrophobicContact CG1-CG 4.36Å; V173-K177 WeakPolarHBondContact O-CB 3.31Å; V173-K177 VanDerWaalsContact O-CG 3.25Å; V173-K177 WeakPolarHBondContact O-CG 3.22Å; V173-K177 PolarHBondContact O-N 3.35Å; K175-K177 VanDerWaalsContact C-N 3.32Å; K175-K177 PolarHBondContact O-N 3.27Å; K177-M180 WeakPolarHBondContact O-CB 3.36Å; K177-M180 PolarHBondContact O-N 3.09Å; K177-V181 VanDerWaalsContact O-CG2 3.31Å; K177-V181 WeakPolarHBondContact O-CG2 3.32Å; K177-V181 PolarHBondContact O-N 2.57Å; K177-F335 HydrophobicContact CB-CE1 3.84Å; K177-F335 HydrophobicContact CB-CZ 3.96Å; K177-F335 HydrophobicContact CD-CD1 4.05Å; K177-F335 HydrophobicContact CD-CD2 4.29Å; K177-F335 HydrophobicContact CD-CE1 3.99Å; K177-F335 HydrophobicContact CD-CE2 4.21Å; K177-F335 HydrophobicContact CD-CG 4.21Å; K177-F335 HydrophobicContact CD-CZ 4.06Å; K177-F335 HydrophobicContact CG-CD1 3.76Å; K177-F335 HydrophobicContact CG-CE1 3.47Å; K177-F335 VanDerWaalsContact CG-CE1 3.47Å; K177-F335 HydrophobicContact CG-CG 4.42Å; K177-F335 HydrophobicContact CG-CZ 3.89Å
178	S	93.4	Very high	93.1	Very high	71 Å²	71	63.7 Å²	63.7	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-62	-46.2	176.5	178.1	0	0	0	0	111.7	A174 K175 E176 M180 V181 Q182	A174-S178 WeakPolarHBondContact O-CB 3.33Å; A174-S178 PolarHBondContact O-N 3.39Å; K175-S178 WeakPolarHBondContact O-CB 3.33Å; K175-S178 PolarHBondContact O-N 2.89Å; K175-S178 VanDerWaalsContact O-N 3.15Å; E176-S178 PolarHBondContact O-N 3.49Å; S178-M180 VanDerWaalsContact C-N 3.31Å; S178-M180 PolarHBondContact O-N 2.76Å; S178-V181 PolarHBondContact O-N 3.49Å; S178-Q182 WeakPolarHBondContact O-CB 3.41Å; S178-Q182 PolarHBondContact O-N 3.46Å
179	D	93.6	Very high	93.4	Very high	65 Å²	65	66.8 Å²	66.8	35%	0.348	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-39.3	178.8	-75.7	-6.6	0	0	0	111.4	K175 E176 Q182 K183	K175-D179 PolarHBondContact O-N 2.87Å; E176-D179 PolarHBondContact O-N 2.95Å; D179-Q182 PolarHBondContact O-N 3.18Å; D179-K183 WeakPolarHBondContact O-CB 3.41Å; D179-K183 VanDerWaalsContact O-CG 3.26Å; D179-K183 WeakPolarHBondContact O-CG 3.45Å; D179-K183 PolarHBondContact O-N 3.24Å
180	M	93.3	Very high	93.5	Very high	22 Å²	22	72 Å²	72	11%	0.108	36%	0.359	C	S	.	.	H	α-helix	trans	-59.3	-53.2	173.3	178.5	61.5	75	0	0	111.6	E176 K177 S178 Q182 K183 F184 M195 L199 K336 L342	E176-M180 WeakPolarHBondContact O-CB 3.37Å; E176-M180 PolarHBondContact O-N 3.46Å; K177-M180 WeakPolarHBondContact O-CB 3.36Å; K177-M180 PolarHBondContact O-N 3.09Å; S178-M180 VanDerWaalsContact C-N 3.31Å; S178-M180 PolarHBondContact O-N 2.76Å; M180-Q182 VanDerWaalsContact C-N 3.3Å; M180-Q182 PolarHBondContact O-N 3.29Å; M180-K183 PolarHBondContact O-N 2.86Å; M180-F184 WeakPolarHBondContact O-CB 3.33Å; M180-F184 PolarHBondContact O-N 3.46Å; M180-M195 HydrophobicContact CE-CE 3.9Å; M180-M195 HydrophobicContact SD-CE 3.15Å; M180-M195 WeakPolarHBondContact SD-CE 3.19Å; M180-M195 HydrophobicContact SD-SD 4.13Å; M180-L199 HydrophobicContact CE-CD1 3.96Å; M180-L199 HydrophobicContact CE-CD2 4.05Å; M180-L199 HydrophobicContact SD-CD1 4.15Å; M180-K336 HydrophobicContact CE-CD 4.43Å; M180-K336 HydrophobicContact CE-CG 4.14Å; M180-L342 HydrophobicContact CG-CD2 3.92Å
181	V	94	Very high	93.5	Very high	17 Å²	17	71.5 Å²	71.5	10%	0.103	36%	0.357	C	S	.	.	H	α-helix	trans	-59.9	-42.1	178.5	170.8	0	0	0	0	110.7	K177 S178 F184 S185 F335 L342 L345 V346	K177-V181 VanDerWaalsContact O-CG2 3.31Å; K177-V181 WeakPolarHBondContact O-CG2 3.32Å; K177-V181 PolarHBondContact O-N 2.57Å; S178-V181 PolarHBondContact O-N 3.49Å; V181-F184 PolarHBondContact O-N 3.4Å; V181-S185 WeakPolarHBondContact O-CB 3.38Å; V181-S185 PolarHBondContact O-N 3.25Å; V181-F335 HydrophobicContact CG2-CZ 4.43Å; V181-L342 HydrophobicContact CG2-CD2 4.12Å; V181-L345 HydrophobicContact CG1-CB 4.11Å; V181-L345 HydrophobicContact CG2-CB 3.87Å; V181-L345 HydrophobicContact CG2-CD1 3.94Å; V181-V346 HydrophobicContact CG1-CG2 3.73Å; V181-V346 WeakPolarHBondContact O-CG2 3.4Å
182	Q	93.6	Very high	93.7	Very high	95 Å²	95	68.5 Å²	68.5	44%	0.444	34%	0.341	S	S	.	.	H	α-helix	trans	-64.3	-44.1	178.5	-165.6	-169.7	-0.1	0	0	111.8	S178 D179 M180 S185 K186	S178-Q182 WeakPolarHBondContact O-CB 3.41Å; S178-Q182 PolarHBondContact O-N 3.46Å; D179-Q182 PolarHBondContact O-N 3.18Å; M180-Q182 VanDerWaalsContact C-N 3.3Å; M180-Q182 PolarHBondContact O-N 3.29Å; Q182-S185 PolarHBondContact O-N 3.07Å; Q182-S185 PolarHBondContact O-OG 2.82Å; Q182-K186 VanDerWaalsContact NE2-NZ 3.1Å; Q182-K186 PolarHBondContact O-N 2.9Å
183	K	93	Very high	93.9	Very high	117 Å²	117	69.2 Å²	69.2	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-60	-49.7	174.3	-73.7	169	-174.1	169.9	0	110.7	D179 M180 S185 K186 F187	D179-K183 WeakPolarHBondContact O-CB 3.41Å; D179-K183 VanDerWaalsContact O-CG 3.26Å; D179-K183 WeakPolarHBondContact O-CG 3.45Å; D179-K183 PolarHBondContact O-N 3.24Å; M180-K183 PolarHBondContact O-N 2.86Å; K183-S185 VanDerWaalsContact C-N 3.26Å; K183-S185 PolarHBondContact O-N 2.9Å; K183-K186 PolarHBondContact O-N 3.17Å; K183-K186 VanDerWaalsContact O-N 3.11Å; K183-F187 WeakPolarHBondContact O-CG 3.33Å; K183-F187 PolarHBondContact O-N 2.92Å
184	F	94	Very high	94.1	Very high	1 Å²	1	77.3 Å²	77.3	0%	0.004	38%	0.383	C	S	.	.	H	α-helix	trans	-59.1	-36.7	179.7	-164	-92.3	0	0	0	112.6	M180 V181 K186 F187 R192 M195 L196 L342 R343 V346	M180-F184 WeakPolarHBondContact O-CB 3.33Å; M180-F184 PolarHBondContact O-N 3.46Å; V181-F184 PolarHBondContact O-N 3.4Å; F184-K186 VanDerWaalsContact C-N 3.29Å; F184-K186 PolarHBondContact O-N 3.41Å; F184-F187 PolarHBondContact O-N 3.49Å; F184-R192 HydrophobicContact CD1-CG 4.22Å; F184-R192 HydrophobicContact CD2-CB 4.35Å; F184-R192 HydrophobicContact CD2-CG 3.92Å; F184-R192 HydrophobicContact CE1-CG 3.95Å; F184-R192 HydrophobicContact CE2-CB 3.65Å; F184-R192 HydrophobicContact CE2-CG 3.61Å; F184-R192 HydrophobicContact CG-CG 4.22Å; F184-R192 HydrophobicContact CZ-CB 3.78Å; F184-R192 HydrophobicContact CZ-CG 3.64Å; F184-R192 PolarHBondContact O-NE 3.42Å; F184-R192 PolarHBondContact O-NH2 2.95Å; F184-M195 HydrophobicContact CD2-SD 4.16Å; F184-L196 HydrophobicContact CE2-CD1 3.97Å; F184-L196 HydrophobicContact CE2-CD2 4.3Å; F184-L196 HydrophobicContact CE2-CG 4.01Å; F184-L196 HydrophobicContact CZ-CD1 4.19Å; F184-L342 HydrophobicContact CD1-CB 4.24Å; F184-L342 HydrophobicContact CD2-CD1 4.12Å; F184-L342 HydrophobicContact CE1-CB 4.25Å; F184-L342 HydrophobicContact CE2-CD1 4.22Å; F184-L342 HydrophobicContact CG-CB 4.42Å; F184-L342 HydrophobicContact CZ-CB 4.44Å; F184-R343 HydrophobicContact CE1-CG 3.91Å; F184-R343 HydrophobicContact CZ-CG 4.4Å; F184-V346 HydrophobicContact CB-CG2 4.41Å; F184-V346 HydrophobicContact CD1-CG2 3.96Å
185	S	92.8	Very high	94.1	Very high	36 Å²	36	76.1 Å²	76.1	25%	0.252	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-33.3	178.3	78.2	0	0	0	0	113.4	V181 Q182 K183 R192	V181-S185 WeakPolarHBondContact O-CB 3.38Å; V181-S185 PolarHBondContact O-N 3.25Å; Q182-S185 PolarHBondContact O-N 3.07Å; Q182-S185 PolarHBondContact O-OG 2.82Å; K183-S185 VanDerWaalsContact C-N 3.26Å; K183-S185 PolarHBondContact O-N 2.9Å; S185-R192 PolarHBondContact O-NH2 2.62Å
186	K	92.8	Very high	94.3	Very high	143 Å²	143	69.8 Å²	69.8	62%	0.622	34%	0.341	S	S	*	.	H	α-helix	trans	-85.4	-20.2	-176.7	-65.2	173.8	-172.9	169.9	0	113.1	Q182 K183 F184	Q182-K186 VanDerWaalsContact NE2-NZ 3.1Å; Q182-K186 PolarHBondContact O-N 2.9Å; K183-K186 PolarHBondContact O-N 3.17Å; K183-K186 VanDerWaalsContact O-N 3.11Å; F184-K186 VanDerWaalsContact C-N 3.29Å; F184-K186 PolarHBondContact O-N 3.41Å
187	F	93.2	Very high	94.5	Very high	69 Å²	69	73 Å²	73	30%	0.303	35%	0.354	S	S	.	.	S	Bend	trans	-74.1	145.7	-178.5	-73.3	-10.7	0	0	0	112.8	K183 F184 E191 R192 M195	K183-F187 WeakPolarHBondContact O-CG 3.33Å; K183-F187 PolarHBondContact O-N 2.92Å; F184-F187 PolarHBondContact O-N 3.49Å; F187-E191 HydrophobicContact CB-CB 3.76Å; F187-E191 HydrophobicContact CD1-CB 4.38Å; F187-E191 HydrophobicContact CD2-CB 4.28Å; F187-E191 HydrophobicContact CG-CB 3.92Å; F187-R192 HydrophobicContact CB-CG 3.75Å; F187-R192 PolarHBondContact O-NE 3.02Å; F187-R192 PolarHBondContact O-NH2 3.29Å; F187-R192 VanDerWaalsContact O-NH2 3.16Å; F187-M195 HydrophobicContact CD2-CB 4.44Å; F187-M195 HydrophobicContact CD2-SD 3.85Å; F187-M195 HydrophobicContact CE2-CB 4.3Å; F187-M195 HydrophobicContact CE2-CE 4.28Å; F187-M195 HydrophobicContact CE2-CG 4.33Å; F187-M195 HydrophobicContact CE2-SD 3.53Å; F187-M195 VanDerWaalsContact CE2-SD 3.53Å
188	T	95.4	Very high	94.6	Very high	72 Å²	72	73 Å²	73	44%	0.442	36%	0.363	S	S	.	.			trans	-65.9	167.3	164.5	58.8	0	0	0	0	110.7	E190 E191 R192	T188-E190 VanDerWaalsContact C-N 3.32Å; T188-E190 PolarHBondContact O-N 2.93Å; T188-E191 WeakPolarHBondContact CB-OE2 3.34Å; T188-E191 WeakPolarHBondContact CG2-OE2 3.44Å; T188-E191 PolarHBondContact N-OE2 3.2Å; T188-E191 PolarHBondContact O-N 3.32Å; T188-E191 WeakPolarHBondContact OG1-CB 3.33Å; T188-E191 WeakPolarHBondContact OG1-CG 3.26Å; T188-E191 PolarHBondContact OG1-N 3.13Å; T188-E191 PolarHBondContact OG1-OE2 3.14Å; T188-R192 VanDerWaalsContact O-CG 3.31Å; T188-R192 WeakPolarHBondContact O-CG 3.44Å; T188-R192 PolarHBondContact O-N 2.93Å
189	E	94.8	Very high	94.7	Very high	96 Å²	96	70.8 Å²	70.8	45%	0.449	35%	0.345	S	S	.	.	H	α-helix	trans	-62.7	-39.9	-179.7	-168	60.5	-159.3	0	0	111.9	R192 A193 R343	E189-R192 PolarHBondContact O-N 3.02Å; E189-R192 IonicContact OE2-NH1 2.63Å; E189-A193 PolarHBondContact O-N 3.28Å; E189-R343 VanDerWaalsContact CD-NH2 3.3Å; E189-R343 IonicContact OE1-CZ 3.22Å; E189-R343 IonicContact OE1-NH1 3.59Å; E189-R343 IonicContact OE1-NH2 3.04Å; E189-R343 PolarHBondContact OE1-NH2 3.4Å; E189-R343 IonicContact OE2-CZ 3.32Å; E189-R343 IonicContact OE2-NH1 3.07Å; E189-R343 PolarHBondContact OE2-NH1 3.01Å; E189-R343 IonicContact OE2-NH2 2.72Å; E189-R343 PolarHBondContact OE2-NH2 3.26Å
190	E	95.9	Very high	94.9	Very high	122 Å²	122	72.7 Å²	72.7	57%	0.57	35%	0.351	S	S	*	.	H	α-helix	trans	-66.6	-36.9	175.2	-65.3	81.9	-179.3	0	0	112.9	T188 R194	T188-E190 VanDerWaalsContact C-N 3.32Å; T188-E190 PolarHBondContact O-N 2.93Å; E190-R194 WeakPolarHBondContact O-CG 3.26Å; E190-R194 PolarHBondContact O-N 3.31Å; E190-R194 VanDerWaalsContact O-N 3.14Å
191	E	95.8	Very high	95	Very high	84 Å²	84	76.8 Å²	76.8	39%	0.393	37%	0.369	S	S	.	.	H	α-helix	trans	-69.5	-41.1	176.3	-74.1	166.3	149.1	0	0	111.6	F187 T188 A193 R194 M195	F187-E191 HydrophobicContact CB-CB 3.76Å; F187-E191 HydrophobicContact CD1-CB 4.38Å; F187-E191 HydrophobicContact CD2-CB 4.28Å; F187-E191 HydrophobicContact CG-CB 3.92Å; T188-E191 WeakPolarHBondContact CB-OE2 3.34Å; T188-E191 WeakPolarHBondContact CG2-OE2 3.44Å; T188-E191 PolarHBondContact N-OE2 3.2Å; T188-E191 PolarHBondContact O-N 3.32Å; T188-E191 WeakPolarHBondContact OG1-CB 3.33Å; T188-E191 WeakPolarHBondContact OG1-CG 3.26Å; T188-E191 PolarHBondContact OG1-N 3.13Å; T188-E191 PolarHBondContact OG1-OE2 3.14Å; E191-A193 PolarHBondContact O-N 2.91Å; E191-R194 PolarHBondContact O-N 2.89Å; E191-M195 WeakPolarHBondContact O-CB 3.4Å; E191-M195 PolarHBondContact O-N 3.37Å
192	R	95.3	Very high	95.1	Very high	42 Å²	42	78.8 Å²	78.8	16%	0.158	38%	0.379	C	S	.	.	H	α-helix	trans	-58.9	-46	173.1	-72.3	171.5	-177.5	154.8	5.9	111.4	F184 S185 F187 T188 E189 R194 M195 L196	F184-R192 HydrophobicContact CD1-CG 4.22Å; F184-R192 HydrophobicContact CD2-CB 4.35Å; F184-R192 HydrophobicContact CD2-CG 3.92Å; F184-R192 HydrophobicContact CE1-CG 3.95Å; F184-R192 HydrophobicContact CE2-CB 3.65Å; F184-R192 HydrophobicContact CE2-CG 3.61Å; F184-R192 HydrophobicContact CG-CG 4.22Å; F184-R192 HydrophobicContact CZ-CB 3.78Å; F184-R192 HydrophobicContact CZ-CG 3.64Å; F184-R192 PolarHBondContact O-NE 3.42Å; F184-R192 PolarHBondContact O-NH2 2.95Å; S185-R192 PolarHBondContact O-NH2 2.62Å; F187-R192 HydrophobicContact CB-CG 3.75Å; F187-R192 PolarHBondContact O-NE 3.02Å; F187-R192 PolarHBondContact O-NH2 3.29Å; F187-R192 VanDerWaalsContact O-NH2 3.16Å; T188-R192 VanDerWaalsContact O-CG 3.31Å; T188-R192 WeakPolarHBondContact O-CG 3.44Å; T188-R192 PolarHBondContact O-N 2.93Å; E189-R192 PolarHBondContact O-N 3.02Å; E189-R192 IonicContact OE2-NH1 2.63Å; R192-R194 VanDerWaalsContact C-N 3.33Å; R192-R194 PolarHBondContact O-N 2.66Å; R192-M195 PolarHBondContact O-N 3.14Å; R192-L196 WeakPolarHBondContact O-CB 3.28Å; R192-L196 VanDerWaalsContact O-CG 3.32Å; R192-L196 WeakPolarHBondContact O-CG 3.31Å; R192-L196 PolarHBondContact O-N 2.96Å
193	A	96	Very high	95.2	Very high	55 Å²	55	74.4 Å²	74.4	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-61.2	-40.5	177.8	0	0	0	0	0	112.3	E189 E191 K197	E189-A193 PolarHBondContact O-N 3.28Å; E191-A193 PolarHBondContact O-N 2.91Å; A193-K197 WeakPolarHBondContact O-CB 3.35Å; A193-K197 PolarHBondContact O-N 3.32Å
194	R	96.8	Very high	95.3	Very high	179 Å²	179	73.3 Å²	73.3	68%	0.675	36%	0.356	S	S	*	.	H	α-helix	trans	-66.3	-43.8	175.3	-70.6	178.6	-139.7	-174.9	5.3	112.1	E190 E191 R192 K197 S198	E190-R194 WeakPolarHBondContact O-CG 3.26Å; E190-R194 PolarHBondContact O-N 3.31Å; E190-R194 VanDerWaalsContact O-N 3.14Å; E191-R194 PolarHBondContact O-N 2.89Å; R192-R194 VanDerWaalsContact C-N 3.33Å; R192-R194 PolarHBondContact O-N 2.66Å; R194-K197 PolarHBondContact O-N 2.66Å; R194-S198 PolarHBondContact O-N 3.33Å
195	M	94.9	Very high	95.4	Very high	34 Å²	34	77.4 Å²	77.4	17%	0.167	37%	0.374	C	S	.	.	H	α-helix	trans	-59.5	-50.8	177	-174.8	-176.1	-157.6	0	0	110.8	M180 F184 F187 E191 R192 K197 S198 L199	M180-M195 HydrophobicContact CE-CE 3.9Å; M180-M195 HydrophobicContact SD-CE 3.15Å; M180-M195 WeakPolarHBondContact SD-CE 3.19Å; M180-M195 HydrophobicContact SD-SD 4.13Å; F184-M195 HydrophobicContact CD2-SD 4.16Å; F187-M195 HydrophobicContact CD2-CB 4.44Å; F187-M195 HydrophobicContact CD2-SD 3.85Å; F187-M195 HydrophobicContact CE2-CB 4.3Å; F187-M195 HydrophobicContact CE2-CE 4.28Å; F187-M195 HydrophobicContact CE2-CG 4.33Å; F187-M195 HydrophobicContact CE2-SD 3.53Å; F187-M195 VanDerWaalsContact CE2-SD 3.53Å; E191-M195 WeakPolarHBondContact O-CB 3.4Å; E191-M195 PolarHBondContact O-N 3.37Å; R192-M195 PolarHBondContact O-N 3.14Å; M195-K197 VanDerWaalsContact C-N 3.28Å; M195-K197 PolarHBondContact O-N 3.44Å; M195-S198 WeakPolarHBondContact O-CB 3.46Å; M195-S198 PolarHBondContact O-N 2.91Å; M195-S198 VanDerWaalsContact O-N 3.11Å; M195-L199 HydrophobicContact CE-CD1 4.47Å; M195-L199 HydrophobicContact CG-CD1 4.01Å; M195-L199 HydrophobicContact CG-CG 4.46Å; M195-L199 WeakPolarHBondContact O-CG 3.39Å; M195-L199 PolarHBondContact O-N 3.47Å
196	L	96	Very high	95.4	Very high	5 Å²	5	76.5 Å²	76.5	3%	0.026	37%	0.366	C	S	.	.	H	α-helix	trans	-60.3	-37.9	178.4	-73.2	165.6	0	0	0	112.2	F184 R192 L199 K200 E339 L342	F184-L196 HydrophobicContact CE2-CD1 3.97Å; F184-L196 HydrophobicContact CE2-CD2 4.3Å; F184-L196 HydrophobicContact CE2-CG 4.01Å; F184-L196 HydrophobicContact CZ-CD1 4.19Å; R192-L196 WeakPolarHBondContact O-CB 3.28Å; R192-L196 VanDerWaalsContact O-CG 3.32Å; R192-L196 WeakPolarHBondContact O-CG 3.31Å; R192-L196 PolarHBondContact O-N 2.96Å; L196-L199 PolarHBondContact O-N 3.38Å; L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 VanDerWaalsContact O-CG 3.27Å; L196-K200 WeakPolarHBondContact O-CG 3.33Å; L196-K200 PolarHBondContact O-N 2.96Å; L196-E339 HydrophobicContact CD1-CB 3.76Å; L196-E339 VanDerWaalsContact CD1-CD 3.4Å; L196-E339 HydrophobicContact CD1-CG 3.56Å; L196-E339 WeakPolarHBondContact CD1-OE2 3.37Å; L196-E339 HydrophobicContact CD2-CB 4.05Å; L196-L342 HydrophobicContact CD2-CD1 4.06Å
197	K	96.9	Very high	95.4	Very high	135 Å²	135	75.6 Å²	75.6	59%	0.587	36%	0.362	S	S	*	.	H	α-helix	trans	-62.3	-47.5	174.2	-171.6	-175.9	179.7	-157.2	0	111.3	A193 R194 M195 L199 K200 E201	A193-K197 WeakPolarHBondContact O-CB 3.35Å; A193-K197 PolarHBondContact O-N 3.32Å; R194-K197 PolarHBondContact O-N 2.66Å; M195-K197 VanDerWaalsContact C-N 3.28Å; M195-K197 PolarHBondContact O-N 3.44Å; K197-L199 VanDerWaalsContact C-N 3.35Å; K197-L199 PolarHBondContact O-N 3.26Å; K197-K200 PolarHBondContact O-N 2.96Å; K197-E201 WeakPolarHBondContact CE-OE1 3.44Å; K197-E201 IonicContact NZ-OE1 3.86Å; K197-E201 WeakPolarHBondContact O-CG 3.5Å; K197-E201 PolarHBondContact O-N 3.16Å
198	S	95.9	Very high	95.4	Very high	74 Å²	74	81.3 Å²	81.3	52%	0.517	38%	0.381	S	S	.	.	H	α-helix	trans	-61.4	-42	177.6	-170.8	0	0	0	0	112.2	R194 M195 K200 E201 L202	R194-S198 PolarHBondContact O-N 3.33Å; M195-S198 WeakPolarHBondContact O-CB 3.46Å; M195-S198 PolarHBondContact O-N 2.91Å; M195-S198 VanDerWaalsContact O-N 3.11Å; S198-K200 VanDerWaalsContact C-N 3.35Å; S198-E201 PolarHBondContact O-N 3.44Å; S198-L202 WeakPolarHBondContact O-CB 3.04Å; S198-L202 PolarHBondContact O-N 2.91Å
199	L	95.3	Very high	95.2	Very high	23 Å²	23	80.1 Å²	80.1	12%	0.12	37%	0.371	C	S	.	.	H	α-helix	trans	-65.5	-38.6	177.8	-68.2	171.8	0	0	0	111.5	M180 M195 L196 K197 L202 A203 K336 T337	M180-L199 HydrophobicContact CE-CD1 3.96Å; M180-L199 HydrophobicContact CE-CD2 4.05Å; M180-L199 HydrophobicContact SD-CD1 4.15Å; M195-L199 HydrophobicContact CE-CD1 4.47Å; M195-L199 HydrophobicContact CG-CD1 4.01Å; M195-L199 HydrophobicContact CG-CG 4.46Å; M195-L199 WeakPolarHBondContact O-CG 3.39Å; M195-L199 PolarHBondContact O-N 3.47Å; L196-L199 PolarHBondContact O-N 3.38Å; K197-L199 VanDerWaalsContact C-N 3.35Å; K197-L199 PolarHBondContact O-N 3.26Å; L199-L202 PolarHBondContact O-N 3.22Å; L199-A203 WeakPolarHBondContact O-CB 3.38Å; L199-A203 PolarHBondContact O-N 2.86Å; L199-K336 HydrophobicContact CD1-CB 4.39Å; L199-K336 VanDerWaalsContact CD1-O 3.29Å; L199-K336 WeakPolarHBondContact CD1-O 3.49Å; L199-K336 HydrophobicContact CD2-CB 4.39Å; L199-T337 HydrophobicContact CB-CG2 4.22Å
200	K	96.8	Very high	95.1	Very high	105 Å²	105	79.3 Å²	79.3	46%	0.457	37%	0.374	S	S	.	.	H	α-helix	trans	-66.5	-41.3	174.3	-73.1	173.1	-174.9	178.8	0	111.9	L196 K197 S198 L202 A203 E204 T337	L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 VanDerWaalsContact O-CG 3.27Å; L196-K200 WeakPolarHBondContact O-CG 3.33Å; L196-K200 PolarHBondContact O-N 2.96Å; K197-K200 PolarHBondContact O-N 2.96Å; S198-K200 VanDerWaalsContact C-N 3.35Å; K200-L202 VanDerWaalsContact C-N 3.31Å; K200-L202 PolarHBondContact O-N 2.95Å; K200-A203 PolarHBondContact O-N 3.12Å; K200-E204 WeakPolarHBondContact O-CG 3.18Å; K200-E204 PolarHBondContact O-N 3.2Å; K200-T337 HydrophobicContact CB-CG2 4.49Å; K200-T337 HydrophobicContact CG-CG2 3.86Å
201	E	96.7	Very high	95	Very high	108 Å²	108	81.7 Å²	81.7	51%	0.505	38%	0.378	S	S	.	.	H	α-helix	trans	-62.8	-39.4	175.7	-73.8	172.4	-178.6	0	0	111.8	K197 S198 E204 K205	K197-E201 WeakPolarHBondContact CE-OE1 3.44Å; K197-E201 IonicContact NZ-OE1 3.86Å; K197-E201 WeakPolarHBondContact O-CG 3.5Å; K197-E201 PolarHBondContact O-N 3.16Å; S198-E201 PolarHBondContact O-N 3.44Å; E201-E204 PolarHBondContact O-N 3.29Å; E201-K205 PolarHBondContact O-N 3.27Å
202	L	95.2	Very high	94.9	Very high	59 Å²	59	77.8 Å²	77.8	31%	0.309	36%	0.36	S	S	.	.	H	α-helix	trans	-64.7	-48.3	174.1	-170.8	65.8	0	0	0	111.5	S198 L199 K200 E204 K205 H206 D276	S198-L202 WeakPolarHBondContact O-CB 3.04Å; S198-L202 PolarHBondContact O-N 2.91Å; L199-L202 PolarHBondContact O-N 3.22Å; K200-L202 VanDerWaalsContact C-N 3.31Å; K200-L202 PolarHBondContact O-N 2.95Å; L202-E204 VanDerWaalsContact C-N 3.27Å; L202-E204 PolarHBondContact O-N 3.02Å; L202-K205 HydrophobicContact CD1-CD 4.41Å; L202-K205 CarbonylContact O-C 3.54Å; L202-K205 WeakPolarHBondContact O-CA 3.49Å; L202-K205 VanDerWaalsContact O-CB 3.22Å; L202-K205 WeakPolarHBondContact O-CB 3.37Å; L202-K205 PolarHBondContact O-N 3.25Å; L202-H206 PolarHBondContact O-N 3.1Å; L202-D276 HydrophobicContact CD1-CB 4.19Å; L202-D276 VanDerWaalsContact CD1-OD2 3.24Å; L202-D276 WeakPolarHBondContact CD1-OD2 3.43Å
203	A	95.8	Very high	94.8	Very high	4 Å²	4	77.3 Å²	77.3	3%	0.033	36%	0.359	C	S	.	.	H	α-helix	trans	-60.1	-35.6	176.3	0	0	0	0	0	112.8	L199 K200 K205 H206 K207 D333 T337	L199-A203 WeakPolarHBondContact O-CB 3.38Å; L199-A203 PolarHBondContact O-N 2.86Å; K200-A203 PolarHBondContact O-N 3.12Å; A203-K205 VanDerWaalsContact C-N 3.33Å; A203-H206 PolarHBondContact O-N 2.89Å; A203-K207 WeakPolarHBondContact O-CG 3.35Å; A203-K207 PolarHBondContact O-N 3.5Å; A203-K207 VanDerWaalsContact O-N 3.08Å; A203-D333 WeakPolarHBondContact CA-OD2 3.5Å; A203-D333 HydrophobicContact CB-CB 3.76Å; A203-T337 HydrophobicContact CB-CG2 3.85Å
204	E	95.9	Very high	94.8	Very high	94 Å²	94	75 Å²	75	44%	0.439	34%	0.339	S	S	.	.	H	α-helix	trans	-73.1	-23.8	172.3	-67.4	-57	130.4	0	0	112.9	K200 E201 L202 K207 R208	K200-E204 WeakPolarHBondContact O-CG 3.18Å; K200-E204 PolarHBondContact O-N 3.2Å; E201-E204 PolarHBondContact O-N 3.29Å; L202-E204 VanDerWaalsContact C-N 3.27Å; L202-E204 PolarHBondContact O-N 3.02Å; E204-K207 IonicContact OE1-NZ 2.77Å; E204-K207 PolarHBondContact OE1-NZ 2.91Å; E204-R208 WeakPolarHBondContact O-CG 3.32Å; E204-R208 PolarHBondContact O-NE 2.81Å; E204-R208 PolarHBondContact O-NH2 3.37Å
205	K	94.7	Very high	94.7	Very high	86 Å²	86	66.5 Å²	66.5	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-70.6	-47.7	168.5	-175.8	-161.8	167.9	-146.4	0	109.7	E201 L202 A203 K207 R208 D276	E201-K205 PolarHBondContact O-N 3.27Å; L202-K205 HydrophobicContact CD1-CD 4.41Å; L202-K205 CarbonylContact O-C 3.54Å; L202-K205 WeakPolarHBondContact O-CA 3.49Å; L202-K205 VanDerWaalsContact O-CB 3.22Å; L202-K205 WeakPolarHBondContact O-CB 3.37Å; L202-K205 PolarHBondContact O-N 3.25Å; A203-K205 VanDerWaalsContact C-N 3.33Å; K205-K207 VanDerWaalsContact C-N 3.29Å; K205-K207 PolarHBondContact O-N 3.44Å; K205-R208 WeakPolarHBondContact O-CB 2.93Å; K205-R208 PolarHBondContact O-N 3.07Å; K205-D276 VanDerWaalsContact NZ-CG 3.27Å; K205-D276 IonicContact NZ-OD1 3.34Å; K205-D276 PolarHBondContact NZ-OD1 3.23Å; K205-D276 IonicContact NZ-OD2 3.8Å; K205-D276 PolarHBondContact NZ-OD2 2.91Å
206	H	94.1	Very high	94.6	Very high	18 Å²	18	65 Å²	65	8%	0.083	30%	0.299	C	S	.	.	H	α-helix	trans	-56.3	-42.3	177.5	-63.3	164.3	0	0	0	111.6	L202 A203 R208 H209 D276 Q329 D333	L202-H206 PolarHBondContact O-N 3.1Å; A203-H206 PolarHBondContact O-N 2.89Å; H206-R208 PolarHBondContact O-N 3.22Å; H206-H209 PolarHBondContact O-CD2 2.8Å; H206-D276 IonicContact CD2-OD2 2.71Å; H206-D276 IonicContact NE2-OD2 3.84Å; H206-D276 PolarHBondContact NE2-OD2 3.02Å; H206-D276 VanDerWaalsContact NE2-OD2 3.07Å; H206-Q329 HydrophobicContact CB-CG 4.23Å; H206-Q329 VanDerWaalsContact CB-OE1 3.31Å; H206-Q329 VanDerWaalsContact CD2-CD 3.44Å; H206-Q329 PolarHBondContact CD2-OE1 3.01Å; H206-Q329 VanDerWaalsContact CD2-OE1 3.29Å; H206-Q329 WeakPolarHBondContact ND1-CG 3.4Å; H206-Q329 PolarHBondContact NE2-NE2 3.14Å; H206-D333 WeakPolarHBondContact CB-OD2 3.38Å; H206-D333 IonicContact CE1-OD1 3.94Å; H206-D333 IonicContact CE1-OD2 3.19Å; H206-D333 IonicContact CG-OD2 2.66Å; H206-D333 VanDerWaalsContact ND1-CG 3.27Å; H206-D333 IonicContact ND1-OD1 2.66Å; H206-D333 PolarHBondContact ND1-OD1 3.17Å; H206-D333 VanDerWaalsContact ND1-OD1 3.09Å; H206-D333 IonicContact ND1-OD2 3.7Å; H206-D333 PolarHBondContact ND1-OD2 3.17Å
207	K	92.5	Very high	94.5	Very high	123 Å²	123	65 Å²	65	54%	0.535	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-10.8	175.2	-69.9	171.7	-168.6	173.6	0	115.6	A203 E204 K205 H209	A203-K207 WeakPolarHBondContact O-CG 3.35Å; A203-K207 PolarHBondContact O-N 3.5Å; A203-K207 VanDerWaalsContact O-N 3.08Å; E204-K207 IonicContact OE1-NZ 2.77Å; E204-K207 PolarHBondContact OE1-NZ 2.91Å; K205-K207 VanDerWaalsContact C-N 3.29Å; K205-K207 PolarHBondContact O-N 3.44Å; K207-H209 VanDerWaalsContact C-N 3.31Å; K207-H209 PolarHBondContact O-N 2.68Å
208	R	92.7	Very high	94.2	Very high	189 Å²	189	61.7 Å²	61.7	71%	0.713	29%	0.287	S	S	*	.			trans	-93.5	50	-178.7	-70.5	178.8	-102.9	-141.2	-0	112.2	E204 K205 H206	E204-R208 WeakPolarHBondContact O-CG 3.32Å; E204-R208 PolarHBondContact O-NE 2.81Å; E204-R208 PolarHBondContact O-NH2 3.37Å; K205-R208 WeakPolarHBondContact O-CB 2.93Å; K205-R208 PolarHBondContact O-N 3.07Å; H206-R208 PolarHBondContact O-N 3.22Å
209	H	91.9	Very high	94	Very high	47 Å²	47	62.3 Å²	62.3	22%	0.218	28%	0.284	C	S	.	.	S	Bend	trans	-111.8	159.2	167.5	57.2	76.5	0	0	0	110.9	H206 K207 K268 V269	H206-H209 PolarHBondContact O-CD2 2.8Å; K207-H209 VanDerWaalsContact C-N 3.31Å; K207-H209 PolarHBondContact O-N 2.68Å; H209-K268 VanDerWaalsContact CB-O 3.25Å; H209-K268 WeakPolarHBondContact CB-O 3.38Å; H209-V269 HydrophobicContact CB-CG2 3.86Å; H209-V269 WeakPolarHBondContact CD2-CG2 3.42Å; H209-V269 VanDerWaalsContact CG-CG2 3.42Å
210	P	92.9	Very high	93.9	Very high	80 Å²	80	61.2 Å²	61.2	52%	0.519	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-53.7	151	163.6	-21.5	33.1	0	0	0	110.6	I212 K268	P210-I212 PolarHBondContact O-N 2.65Å; P210-K268 HydrophobicContact CB-CB 4.44Å; P210-K268 HydrophobicContact CB-CD 4.22Å; P210-K268 HydrophobicContact CB-CG 4.42Å; P210-K268 HydrophobicContact CG-CB 4.45Å
211	R	91.9	Very high	93.7	Very high	172 Å²	172	56.2 Å²	56.2	65%	0.649	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-60.6	142.2	179.8	-64.3	-175.1	-178.3	-174.8	0.8	110.3
212	I	94.2	Very high	93.4	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-100.5	126	172.4	-55.1	170.7	0	0	0	108.4	P210 E265 V269 M289 D324 W325 T327	P210-I212 PolarHBondContact O-N 2.65Å; I212-E265 HydrophobicContact CG2-CB 4.01Å; I212-V269 HydrophobicContact CD1-CB 4.13Å; I212-V269 HydrophobicContact CD1-CG2 3.15Å; I212-V269 HydrophobicContact CG1-CG2 3.73Å; I212-M289 HydrophobicContact CG2-CE 4.23Å; I212-D324 CarbonylContact O-C 3.21Å; I212-D324 VanDerWaalsContact O-CA 3.29Å; I212-D324 WeakPolarHBondContact O-CA 3.39Å; I212-W325 HydrophobicContact CB-CB 4.03Å; I212-W325 HydrophobicContact CG2-CB 3.68Å; I212-W325 HydrophobicContact CG2-CG 4.31Å; I212-W325 PolarHBondContact O-N 3.36Å; I212-T327 HydrophobicContact CD1-CG2 3.28Å
213	H	94.2	Very high	93.1	Very high	32 Å²	32	53.8 Å²	53.8	15%	0.148	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-82.6	153.7	178.4	-68.1	-51.8	0	0	0	112.2	Q220 E223 E265	H213-Q220 HydrophobicContact CB-CB 3.65Å; H213-Q220 HydrophobicContact CB-CG 4.24Å; H213-E223 IonicContact CD2-OE2 2.66Å; H213-E223 PolarHBondContact CD2-OE2 3.41Å; H213-E223 IonicContact NE2-OE2 2.86Å; H213-E223 PolarHBondContact NE2-OE2 2.95Å; H213-E265 PolarHBondContact N-OE2 3.16Å
214	Q	95.3	Very high	92.8	Very high	7 Å²	7	54.8 Å²	54.8	3%	0.033	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-64.2	143.6	172.1	-72.4	-79.8	-32.9	0	0	111.3	G216 S217 Y318 D322 D324	Q214-G216 PolarHBondContact O-N 3.16Å; Q214-S217 VanDerWaalsContact O-CB 3.23Å; Q214-S217 WeakPolarHBondContact O-CB 3.43Å; Q214-S217 PolarHBondContact O-N 2.81Å; Q214-S217 VanDerWaalsContact O-N 3.11Å; Q214-S217 PolarHBondContact O-OG 2.83Å; Q214-Y318 HydrophobicContact CB-CD1 4.5Å; Q214-Y318 HydrophobicContact CB-CE1 3.58Å; Q214-Y318 HydrophobicContact CB-CE2 4.37Å; Q214-Y318 WeakPolarHBondContact CB-OH 3.26Å; Q214-Y318 HydrophobicContact CG-CE1 3.88Å; Q214-Y318 PolarHBondContact OE1-OH 3.41Å; Q214-D322 HydrophobicContact CG-CB 4.48Å; Q214-D322 WeakPolarHBondContact CG-O 3.38Å; Q214-D324 PolarHBondContact NE2-O 3.18Å
215	P	95	Very high	92.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	127.3	-180	-18.7	27.4	0	0	0	112.5	S217 L262 M289 K292 F293 Y318 W325	P215-S217 PolarHBondContact O-N 3.12Å; P215-L262 HydrophobicContact CB-CD2 3.97Å; P215-M289 HydrophobicContact CB-CB 4.36Å; P215-M289 WeakPolarHBondContact CB-O 3.12Å; P215-M289 HydrophobicContact CG-CB 3.58Å; P215-M289 HydrophobicContact CG-CE 3.76Å; P215-M289 HydrophobicContact CG-CG 3.68Å; P215-M289 WeakPolarHBondContact CG-O 3.39Å; P215-K292 HydrophobicContact CB-CB 4.36Å; P215-K292 HydrophobicContact CG-CB 4.14Å; P215-F293 HydrophobicContact CB-CB 4.16Å; P215-Y318 VanDerWaalsContact O-CE2 3.27Å; P215-Y318 WeakPolarHBondContact O-CE2 3.5Å; P215-W325 HydrophobicContact CG-CE3 4.28Å; P215-W325 HydrophobicContact CG-CZ3 4.32Å
216	G	93.4	Very high	92	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.01	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	8.7	-179.9	0	0	0	0	0	115.1	Q214 R296	Q214-G216 PolarHBondContact O-N 3.16Å; G216-R296 PolarHBondContact O-NE 3.23Å
217	S	93.3	Very high	91.1	Very high	7 Å²	7	55.1 Å²	55.1	5%	0.049	25%	0.247	C	C	.	.			trans	-70.8	152.9	173.4	67.3	0	0	0	0	111.2	Q214 P215 D219 Q220 L221	Q214-S217 VanDerWaalsContact O-CB 3.23Å; Q214-S217 WeakPolarHBondContact O-CB 3.43Å; Q214-S217 PolarHBondContact O-N 2.81Å; Q214-S217 VanDerWaalsContact O-N 3.11Å; Q214-S217 PolarHBondContact O-OG 2.83Å; P215-S217 PolarHBondContact O-N 3.12Å; S217-D219 PolarHBondContact O-N 3.34Å; S217-Q220 PolarHBondContact O-N 2.89Å; S217-Q220 WeakPolarHBondContact OG-CB 3.45Å; S217-Q220 PolarHBondContact OG-N 3.4Å; S217-L221 VanDerWaalsContact O-CG 3.3Å; S217-L221 WeakPolarHBondContact O-CG 3.48Å; S217-L221 PolarHBondContact O-N 2.99Å
218	Q	91.1	Very high	89.6	Confident	65 Å²	65	53.7 Å²	53.7	30%	0.304	24%	0.239	S	C	.	.	H	α-helix	trans	-57.9	-38.9	177	-79.8	-74.3	-29.5	0	0	111.8	L221 K222 V314	Q218-L221 PolarHBondContact O-N 3.11Å; Q218-K222 WeakPolarHBondContact O-CB 3.46Å; Q218-K222 WeakPolarHBondContact O-CD 3.14Å; Q218-K222 VanDerWaalsContact O-CG 3.23Å; Q218-K222 WeakPolarHBondContact O-CG 3.49Å; Q218-K222 PolarHBondContact O-N 3.28Å; Q218-V314 PolarHBondContact NE2-O 2.92Å
219	D	90.9	Very high	87.9	Confident	86 Å²	86	54.5 Å²	54.5	46%	0.46	25%	0.251	S	S	.	.	H	α-helix	trans	-64.5	-46.3	179.6	-59.7	-25	0	0	0	110.8	S217 L221 K222 E223	S217-D219 PolarHBondContact O-N 3.34Å; D219-L221 PolarHBondContact O-N 3.46Å; D219-K222 PolarHBondContact O-N 3.47Å; D219-E223 WeakPolarHBondContact O-CB 3.42Å; D219-E223 PolarHBondContact O-N 2.94Å
220	Q	93.3	Very high	86.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-49.5	174.9	-169.4	-166	40.3	0	0	112.2	H213 S217 K222 E223 Y224 F261 E265	H213-Q220 HydrophobicContact CB-CB 3.65Å; H213-Q220 HydrophobicContact CB-CG 4.24Å; S217-Q220 PolarHBondContact O-N 2.89Å; S217-Q220 WeakPolarHBondContact OG-CB 3.45Å; S217-Q220 PolarHBondContact OG-N 3.4Å; Q220-K222 VanDerWaalsContact C-N 3.27Å; Q220-K222 PolarHBondContact O-N 3.17Å; Q220-E223 PolarHBondContact O-N 3.47Å; Q220-Y224 WeakPolarHBondContact O-CB 3.4Å; Q220-Y224 PolarHBondContact O-N 3.33Å; Q220-F261 HydrophobicContact CG-CZ 4.17Å; Q220-E265 HydrophobicContact CG-CG 3.75Å
221	L	92.5	Very high	85.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-35	-176.3	-64.6	175.4	0	0	0	111.9	S217 Q218 D219 W225 F236 L241 F261 F310 V314	S217-L221 VanDerWaalsContact O-CG 3.3Å; S217-L221 WeakPolarHBondContact O-CG 3.48Å; S217-L221 PolarHBondContact O-N 2.99Å; Q218-L221 PolarHBondContact O-N 3.11Å; D219-L221 PolarHBondContact O-N 3.46Å; L221-W225 WeakPolarHBondContact O-CB 3.41Å; L221-W225 PolarHBondContact O-N 3.48Å; L221-W225 VanDerWaalsContact O-N 3.16Å; L221-F236 HydrophobicContact CB-CE2 3.94Å; L221-F236 HydrophobicContact CB-CZ 4.07Å; L221-L241 HydrophobicContact CB-CD2 3.83Å; L221-L241 HydrophobicContact CD2-CD2 3.82Å; L221-L241 HydrophobicContact CG-CD2 4.33Å; L221-F261 HydrophobicContact CD2-CE1 4.36Å; L221-F261 HydrophobicContact CD2-CE2 4.45Å; L221-F261 HydrophobicContact CD2-CZ 3.75Å; L221-F310 HydrophobicContact CD2-CE2 4.35Å; L221-F310 HydrophobicContact CD2-CZ 4.07Å; L221-V314 HydrophobicContact CD1-CB 4.49Å; L221-V314 HydrophobicContact CD1-CG1 4.25Å; L221-V314 HydrophobicContact CD1-CG2 3.67Å
222	K	90.1	Very high	84.5	Confident	47 Å²	47	51.5 Å²	51.5	20%	0.204	26%	0.264	C	S	.	.	H	α-helix	trans	-75.4	-42.1	176.8	-74.2	170.3	166.8	-165.3	0	112.1	Q218 D219 Q220 Y224 W225 E226 E233 F236	Q218-K222 WeakPolarHBondContact O-CB 3.46Å; Q218-K222 WeakPolarHBondContact O-CD 3.14Å; Q218-K222 VanDerWaalsContact O-CG 3.23Å; Q218-K222 WeakPolarHBondContact O-CG 3.49Å; Q218-K222 PolarHBondContact O-N 3.28Å; D219-K222 PolarHBondContact O-N 3.47Å; Q220-K222 VanDerWaalsContact C-N 3.27Å; Q220-K222 PolarHBondContact O-N 3.17Å; K222-Y224 VanDerWaalsContact C-N 3.31Å; K222-Y224 PolarHBondContact O-N 2.89Å; K222-W225 WeakPolarHBondContact O-CA 3.46Å; K222-W225 VanDerWaalsContact O-CB 3.3Å; K222-W225 WeakPolarHBondContact O-CB 3.29Å; K222-W225 PolarHBondContact O-N 3.26Å; K222-E226 WeakPolarHBondContact O-CG 3.45Å; K222-E226 PolarHBondContact O-N 2.99Å; K222-E233 HydrophobicContact CB-CG 4.27Å; K222-E233 HydrophobicContact CD-CG 3.82Å; K222-E233 WeakPolarHBondContact CD-OE1 3.45Å; K222-E233 WeakPolarHBondContact CE-OE1 3.31Å; K222-E233 HydrophobicContact CG-CG 4.24Å; K222-E233 IonicContact NZ-OE1 3.35Å; K222-E233 PolarHBondContact NZ-OE1 3.11Å; K222-F236 HydrophobicContact CG-CB 4.49Å; K222-F236 HydrophobicContact CG-CD2 3.81Å; K222-F236 HydrophobicContact CG-CE2 4.18Å; K222-F236 HydrophobicContact CG-CG 4.09Å
223	E	90.4	Very high	83.5	Confident	70 Å²	70	55.2 Å²	55.2	33%	0.327	28%	0.282	S	S	.	.	H	α-helix	trans	-60.1	-45.2	175.7	-174.8	179.6	174.2	0	0	110.7	H213 D219 Q220 W225 E226 K227 K268	H213-E223 IonicContact CD2-OE2 2.66Å; H213-E223 PolarHBondContact CD2-OE2 3.41Å; H213-E223 IonicContact NE2-OE2 2.86Å; H213-E223 PolarHBondContact NE2-OE2 2.95Å; D219-E223 WeakPolarHBondContact O-CB 3.42Å; D219-E223 PolarHBondContact O-N 2.94Å; Q220-E223 PolarHBondContact O-N 3.47Å; E223-W225 PolarHBondContact O-N 2.84Å; E223-E226 PolarHBondContact O-N 2.81Å; E223-K227 PolarHBondContact O-N 2.6Å; E223-K268 VanDerWaalsContact OE1-CE 3.26Å; E223-K268 WeakPolarHBondContact OE1-CE 3.32Å; E223-K268 IonicContact OE1-NZ 2.73Å; E223-K268 PolarHBondContact OE1-NZ 3.29Å; E223-K268 IonicContact OE2-NZ 3.54Å; E223-K268 PolarHBondContact OE2-NZ 3.02Å
224	Y	88.6	Confident	82.7	Confident	24 Å²	24	61.7 Å²	61.7	9%	0.094	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-32.5	174.9	-175.6	-84.1	0	0	0	112.3	Q220 K222 K227 L241 D244 I245 F261 T264	Q220-Y224 WeakPolarHBondContact O-CB 3.4Å; Q220-Y224 PolarHBondContact O-N 3.33Å; K222-Y224 VanDerWaalsContact C-N 3.31Å; K222-Y224 PolarHBondContact O-N 2.89Å; Y224-K227 HydrophobicContact CD1-CD 4.4Å; Y224-K227 HydrophobicContact CD2-CD 4.2Å; Y224-K227 HydrophobicContact CE1-CD 4.41Å; Y224-K227 HydrophobicContact CE2-CD 4.19Å; Y224-K227 HydrophobicContact CG-CD 4.32Å; Y224-K227 VanDerWaalsContact O-CD 3.24Å; Y224-K227 WeakPolarHBondContact O-CD 3.47Å; Y224-K227 WeakPolarHBondContact O-CG 3.35Å; Y224-K227 PolarHBondContact OH-NZ 3.15Å; Y224-L241 HydrophobicContact CD1-CD1 3.37Å; Y224-L241 HydrophobicContact CE1-CD1 3.65Å; Y224-D244 WeakPolarHBondContact CE1-OD2 3.44Å; Y224-D244 PolarHBondContact OH-OD2 3.23Å; Y224-I245 HydrophobicContact CE1-CG1 4.27Å; Y224-F261 HydrophobicContact CD1-CD2 4.11Å; Y224-F261 AromaticContact CD1-CE2 3.89Å; Y224-F261 HydrophobicContact CD1-CE2 3.89Å; Y224-F261 AromaticContact CD2-CD2 3.57Å; Y224-F261 HydrophobicContact CD2-CD2 3.57Å; Y224-F261 AromaticContact CD2-CE2 3.57Å; Y224-F261 HydrophobicContact CD2-CE2 3.57Å; Y224-F261 HydrophobicContact CE1-CD2 4.05Å; Y224-F261 HydrophobicContact CE1-CE2 4.29Å; Y224-F261 AromaticContact CE2-CD2 3.52Å; Y224-F261 HydrophobicContact CE2-CD2 3.52Å; Y224-F261 HydrophobicContact CE2-CE2 4.03Å; Y224-F261 AromaticContact CG-CD2 3.86Å; Y224-F261 HydrophobicContact CG-CD2 3.86Å; Y224-F261 AromaticContact CG-CE2 3.48Å; Y224-F261 HydrophobicContact CG-CE2 3.48Å; Y224-F261 VanDerWaalsContact CG-CE2 3.48Å; Y224-F261 AromaticContact CZ-CD2 3.74Å; Y224-T264 HydrophobicContact CD2-CG2 4.2Å; Y224-T264 WeakPolarHBondContact CD2-OG1 3.44Å; Y224-T264 HydrophobicContact CE2-CG2 3.87Å
225	W	87	Confident	82.2	Confident	13 Å²	13	63.6 Å²	63.6	5%	0.049	33%	0.326	C	S	.	.	H	α-helix	trans	-67.5	-40.7	174.9	177.2	-97.3	0	0	0	112.5	L221 K222 E223 K227 L231 D232 S235 F236 N237 T240 L241	L221-W225 WeakPolarHBondContact O-CB 3.41Å; L221-W225 PolarHBondContact O-N 3.48Å; L221-W225 VanDerWaalsContact O-N 3.16Å; K222-W225 WeakPolarHBondContact O-CA 3.46Å; K222-W225 VanDerWaalsContact O-CB 3.3Å; K222-W225 WeakPolarHBondContact O-CB 3.29Å; K222-W225 PolarHBondContact O-N 3.26Å; E223-W225 PolarHBondContact O-N 2.84Å; W225-K227 PolarHBondContact O-N 3.25Å; W225-L231 HydrophobicContact CD2-CD1 4.15Å; W225-L231 HydrophobicContact CE3-CD1 4.41Å; W225-L231 HydrophobicContact CH2-CD1 4.01Å; W225-L231 HydrophobicContact CZ2-CB 4.46Å; W225-L231 HydrophobicContact CZ2-CD1 3.74Å; W225-L231 HydrophobicContact CZ2-CD2 3.79Å; W225-L231 HydrophobicContact CZ2-CG 4.19Å; W225-L231 HydrophobicContact CZ3-CD1 4.33Å; W225-D232 PolarHBondContact NE1-O 2.69Å; W225-S235 WeakPolarHBondContact CZ2-O 3.3Å; W225-S235 PolarHBondContact NE1-OG 3.38Å; W225-S235 VanDerWaalsContact NE1-OG 3.09Å; W225-F236 HydrophobicContact CB-CD2 4.08Å; W225-F236 HydrophobicContact CG-CD2 4.13Å; W225-N237 HydrophobicContact CH2-CB 4.16Å; W225-N237 HydrophobicContact CZ2-CB 4.47Å; W225-T240 HydrophobicContact CH2-CG2 3.62Å; W225-T240 HydrophobicContact CZ3-CG2 3.67Å; W225-L241 HydrophobicContact CE3-CB 4.13Å; W225-L241 HydrophobicContact CZ3-CB 4.38Å
226	E	86.6	Confident	81.8	Confident	95 Å²	95	65.7 Å²	65.7	44%	0.444	34%	0.336	S	S	.	.	H	α-helix	trans	-71	-8.9	-179.4	-69.6	-173	147.1	0	0	113.8	K222 E223 Y228 E233	K222-E226 WeakPolarHBondContact O-CG 3.45Å; K222-E226 PolarHBondContact O-N 2.99Å; E223-E226 PolarHBondContact O-N 2.81Å; E226-Y228 PolarHBondContact O-N 2.74Å; E226-Y228 VanDerWaalsContact O-N 3.14Å; E226-E233 VanDerWaalsContact OE1-CB 3.25Å; E226-E233 WeakPolarHBondContact OE1-CB 3.28Å; E226-E233 PolarHBondContact OE1-N 2.81Å; E226-E233 VanDerWaalsContact OE1-N 3.12Å
227	K	74.9	Confident	81.6	Confident	98 Å²	98	68.7 Å²	68.7	43%	0.426	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.2	176.1	85.3	-173.1	173.2	161.2	0	113.2	E223 Y224 W225 D244	E223-K227 PolarHBondContact O-N 2.6Å; Y224-K227 HydrophobicContact CD1-CD 4.4Å; Y224-K227 HydrophobicContact CD2-CD 4.2Å; Y224-K227 HydrophobicContact CE1-CD 4.41Å; Y224-K227 HydrophobicContact CE2-CD 4.19Å; Y224-K227 HydrophobicContact CG-CD 4.32Å; Y224-K227 VanDerWaalsContact O-CD 3.24Å; Y224-K227 WeakPolarHBondContact O-CD 3.47Å; Y224-K227 WeakPolarHBondContact O-CG 3.35Å; Y224-K227 PolarHBondContact OH-NZ 3.15Å; W225-K227 PolarHBondContact O-N 3.25Å; K227-D244 IonicContact NZ-OD2 3.24Å
228	Y	61.7	Low	81.5	Confident	92 Å²	92	69.3 Å²	69.3	36%	0.361	36%	0.356	S	S	.	.	S	Bend	trans	-90.9	126.7	179.9	-67.9	-65.7	0	0	0	111.7	E226 G230 L231 D244	E226-Y228 PolarHBondContact O-N 2.74Å; E226-Y228 VanDerWaalsContact O-N 3.14Å; Y228-G230 PolarHBondContact O-N 3.36Å; Y228-G230 VanDerWaalsContact O-N 3.14Å; Y228-L231 HydrophobicContact CD2-CD1 4.12Å; Y228-L231 HydrophobicContact CG-CD1 4.29Å; Y228-L231 PolarHBondContact O-N 2.98Å; Y228-D244 WeakPolarHBondContact CE2-OD1 3.29Å; Y228-D244 WeakPolarHBondContact CE2-OD2 3.37Å; Y228-D244 VanDerWaalsContact CZ-OD1 3.27Å; Y228-D244 PolarHBondContact OH-OD1 3.21Å; Y228-D244 PolarHBondContact OH-OD2 2.92Å
229	E	57.5	Low	81.6	Confident	206 Å²	206	74 Å²	74	96%	0.963	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	121.4	176.5	-73.3	-165.5	163.1	0	0	111.4
230	G	62.5	Low	81.5	Confident	84 Å²	84	73.4 Å²	73.4	87%	0.866	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	1.2	175.8	0	0	0	0	0	115.7	Y228	Y228-G230 PolarHBondContact O-N 3.36Å; Y228-G230 VanDerWaalsContact O-N 3.14Å
231	L	68.2	Low	81.4	Confident	60 Å²	60	73.4 Å²	73.4	31%	0.314	37%	0.37	S	S	.	.			trans	-99.8	114.5	169.1	-65.8	-179.1	0	0	0	109.5	W225 Y228	W225-L231 HydrophobicContact CD2-CD1 4.15Å; W225-L231 HydrophobicContact CE3-CD1 4.41Å; W225-L231 HydrophobicContact CH2-CD1 4.01Å; W225-L231 HydrophobicContact CZ2-CB 4.46Å; W225-L231 HydrophobicContact CZ2-CD1 3.74Å; W225-L231 HydrophobicContact CZ2-CD2 3.79Å; W225-L231 HydrophobicContact CZ2-CG 4.19Å; W225-L231 HydrophobicContact CZ3-CD1 4.33Å; Y228-L231 HydrophobicContact CD2-CD1 4.12Å; Y228-L231 HydrophobicContact CG-CD1 4.29Å; Y228-L231 PolarHBondContact O-N 2.98Å
232	D	74.5	Confident	81.4	Confident	92 Å²	92	73.7 Å²	73.7	49%	0.492	37%	0.371	S	S	.	.			trans	-94.2	161	174.6	68.4	11.2	0	0	0	111.7	W225 Q234 S235	W225-D232 PolarHBondContact NE1-O 2.69Å; D232-Q234 PolarHBondContact O-N 3.38Å; D232-Q234 PolarHBondContact OD1-N 2.92Å; D232-S235 PolarHBondContact N-OG 3.37Å; D232-S235 PolarHBondContact O-N 3.07Å; D232-S235 PolarHBondContact O-OG 3.36Å; D232-S235 VanDerWaalsContact OD1-CB 3.32Å; D232-S235 WeakPolarHBondContact OD1-CB 3.34Å; D232-S235 PolarHBondContact OD1-N 3.32Å; D232-S235 PolarHBondContact OD1-OG 2.91Å
233	E	73.5	Confident	81.3	Confident	81 Å²	81	74.6 Å²	74.6	38%	0.379	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-48.9	-34.6	176.2	-149.9	-164.5	148	0	0	113.6	K222 E226 S235 F236	K222-E233 HydrophobicContact CB-CG 4.27Å; K222-E233 HydrophobicContact CD-CG 3.82Å; K222-E233 WeakPolarHBondContact CD-OE1 3.45Å; K222-E233 WeakPolarHBondContact CE-OE1 3.31Å; K222-E233 HydrophobicContact CG-CG 4.24Å; K222-E233 IonicContact NZ-OE1 3.35Å; K222-E233 PolarHBondContact NZ-OE1 3.11Å; E226-E233 VanDerWaalsContact OE1-CB 3.25Å; E226-E233 WeakPolarHBondContact OE1-CB 3.28Å; E226-E233 PolarHBondContact OE1-N 2.81Å; E226-E233 VanDerWaalsContact OE1-N 3.12Å; E233-S235 VanDerWaalsContact C-N 3.27Å; E233-S235 PolarHBondContact O-N 2.72Å; E233-F236 VanDerWaalsContact O-CB 3.26Å; E233-F236 WeakPolarHBondContact O-CB 3.27Å; E233-F236 PolarHBondContact O-N 3.22Å
234	Q	77.3	Confident	81.1	Confident	167 Å²	167	73.3 Å²	73.3	78%	0.78	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-72.7	-23.4	-176.2	-60.1	-62.6	-37.9	0	0	112.2	D232 F236	D232-Q234 PolarHBondContact O-N 3.38Å; D232-Q234 PolarHBondContact OD1-N 2.92Å; Q234-F236 VanDerWaalsContact C-N 3.3Å
235	S	83	Confident	81.1	Confident	47 Å²	47	72.3 Å²	72.3	33%	0.329	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-84.9	1.4	175.4	72.3	0	0	0	0	114.1	W225 D232 E233 N237	W225-S235 WeakPolarHBondContact CZ2-O 3.3Å; W225-S235 PolarHBondContact NE1-OG 3.38Å; W225-S235 VanDerWaalsContact NE1-OG 3.09Å; D232-S235 PolarHBondContact N-OG 3.37Å; D232-S235 PolarHBondContact O-N 3.07Å; D232-S235 PolarHBondContact O-OG 3.36Å; D232-S235 VanDerWaalsContact OD1-CB 3.32Å; D232-S235 WeakPolarHBondContact OD1-CB 3.34Å; D232-S235 PolarHBondContact OD1-N 3.32Å; D232-S235 PolarHBondContact OD1-OG 2.91Å; E233-S235 VanDerWaalsContact C-N 3.27Å; E233-S235 PolarHBondContact O-N 2.72Å; S235-N237 PolarHBondContact O-N 3.29Å
236	F	87	Confident	81.2	Confident	45 Å²	45	72.5 Å²	72.5	20%	0.197	38%	0.381	C	S	.	.			trans	-48.7	121.9	-176.9	176.2	-100	0	0	0	112.4	L221 K222 W225 E233 Q234 L241 V314	L221-F236 HydrophobicContact CB-CE2 3.94Å; L221-F236 HydrophobicContact CB-CZ 4.07Å; K222-F236 HydrophobicContact CG-CB 4.49Å; K222-F236 HydrophobicContact CG-CD2 3.81Å; K222-F236 HydrophobicContact CG-CE2 4.18Å; K222-F236 HydrophobicContact CG-CG 4.09Å; W225-F236 HydrophobicContact CB-CD2 4.08Å; W225-F236 HydrophobicContact CG-CD2 4.13Å; E233-F236 VanDerWaalsContact O-CB 3.26Å; E233-F236 WeakPolarHBondContact O-CB 3.27Å; E233-F236 PolarHBondContact O-N 3.22Å; Q234-F236 VanDerWaalsContact C-N 3.3Å; F236-L241 HydrophobicContact CE2-CD2 3.83Å; F236-L241 HydrophobicContact CZ-CD2 4.28Å; F236-V314 HydrophobicContact CE1-CG1 4.15Å; F236-V314 HydrophobicContact CZ-CG1 4.26Å
237	N	89.6	Confident	80.9	Confident	63 Å²	63	74.5 Å²	74.5	34%	0.337	39%	0.394	S	S	.	.			trans	-132.2	107.6	178.4	-171.4	-43.7	0	0	0	110.6	W225 S235 R239 T240 L241	W225-N237 HydrophobicContact CH2-CB 4.16Å; W225-N237 HydrophobicContact CZ2-CB 4.47Å; S235-N237 PolarHBondContact O-N 3.29Å; N237-R239 PolarHBondContact O-N 3Å; N237-R239 WeakPolarHBondContact OD1-CA 3.46Å; N237-R239 WeakPolarHBondContact OD1-CB 3.4Å; N237-R239 PolarHBondContact OD1-N 2.91Å; N237-T240 PolarHBondContact O-N 3.46Å; N237-T240 VanDerWaalsContact O-N 3.1Å; N237-T240 PolarHBondContact OD1-N 3.22Å; N237-L241 PolarHBondContact O-N 3.4Å
238	S	92.2	Very high	81.2	Confident	21 Å²	21	74.2 Å²	74.2	15%	0.147	40%	0.398	C	S	.	.	H	α-helix	trans	-62.9	-24.4	-178.7	55	0	0	0	0	114.3	F242 F310 L311	S238-F242 WeakPolarHBondContact O-CB 3.48Å; S238-F242 PolarHBondContact O-N 3.21Å; S238-F310 WeakPolarHBondContact O-CE1 3.21Å; S238-L311 WeakPolarHBondContact OG-CD2 3.49Å
239	R	91.9	Very high	82.3	Confident	163 Å²	163	72.6 Å²	72.6	62%	0.615	41%	0.408	S	S	*	.	H	α-helix	trans	-72.7	-41.3	173.9	-63.6	-170.5	-178	91.2	-0.4	111.7	N237 A243 L311	N237-R239 PolarHBondContact O-N 3Å; N237-R239 WeakPolarHBondContact OD1-CA 3.46Å; N237-R239 WeakPolarHBondContact OD1-CB 3.4Å; N237-R239 PolarHBondContact OD1-N 2.91Å; R239-A243 PolarHBondContact O-N 3.28Å; R239-L311 HydrophobicContact CB-CD2 4.41Å; R239-L311 HydrophobicContact CG-CD1 3.82Å; R239-L311 HydrophobicContact CG-CD2 3.65Å; R239-L311 HydrophobicContact CG-CG 4.38Å
240	T	89.4	Confident	83.7	Confident	73 Å²	73	64.4 Å²	64.4	45%	0.448	37%	0.372	S	S	.	.	H	α-helix	trans	-70.9	-40.1	177.8	-54	0	0	0	0	110.5	W225 N237 F242 A243 D244	W225-T240 HydrophobicContact CH2-CG2 3.62Å; W225-T240 HydrophobicContact CZ3-CG2 3.67Å; N237-T240 PolarHBondContact O-N 3.46Å; N237-T240 VanDerWaalsContact O-N 3.1Å; N237-T240 PolarHBondContact OD1-N 3.22Å; T240-F242 VanDerWaalsContact C-N 3.33Å; T240-F242 PolarHBondContact O-N 3.28Å; T240-A243 PolarHBondContact O-N 2.98Å; T240-D244 PolarHBondContact O-N 3.07Å
241	L	90.6	Very high	85	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-59.6	-44	173.7	178.9	61.3	0	0	0	111.7	L221 Y224 W225 F236 N237 A243 D244 I245 F310	L221-L241 HydrophobicContact CB-CD2 3.83Å; L221-L241 HydrophobicContact CD2-CD2 3.82Å; L221-L241 HydrophobicContact CG-CD2 4.33Å; Y224-L241 HydrophobicContact CD1-CD1 3.37Å; Y224-L241 HydrophobicContact CE1-CD1 3.65Å; W225-L241 HydrophobicContact CE3-CB 4.13Å; W225-L241 HydrophobicContact CZ3-CB 4.38Å; F236-L241 HydrophobicContact CE2-CD2 3.83Å; F236-L241 HydrophobicContact CZ-CD2 4.28Å; N237-L241 PolarHBondContact O-N 3.4Å; L241-A243 VanDerWaalsContact C-N 3.3Å; L241-A243 PolarHBondContact O-N 3.48Å; L241-D244 WeakPolarHBondContact O-CB 3.06Å; L241-D244 PolarHBondContact O-N 2.8Å; L241-I245 HydrophobicContact CD1-CD1 4.16Å; L241-I245 HydrophobicContact CD1-CG1 4.42Å; L241-I245 HydrophobicContact CG-CD1 4.09Å; L241-I245 WeakPolarHBondContact O-CG1 3.37Å; L241-I245 PolarHBondContact O-N 3.26Å; L241-F310 HydrophobicContact CD2-CZ 4.22Å; L241-F310 HydrophobicContact CG-CZ 4.44Å
242	F	92.4	Very high	86.3	Confident	5 Å²	5	61.5 Å²	61.5	2%	0.022	34%	0.337	C	S	.	.	H	α-helix	trans	-55.2	-48	174.8	-179.2	-84.8	0	0	0	111.6	S238 T240 D244 I245 D246 G251 L253 R307 F310	S238-F242 WeakPolarHBondContact O-CB 3.48Å; S238-F242 PolarHBondContact O-N 3.21Å; T240-F242 VanDerWaalsContact C-N 3.33Å; T240-F242 PolarHBondContact O-N 3.28Å; F242-D244 PolarHBondContact O-N 3.11Å; F242-I245 PolarHBondContact O-N 3.38Å; F242-I245 VanDerWaalsContact O-N 3.12Å; F242-D246 HydrophobicContact CD1-CB 4.23Å; F242-D246 HydrophobicContact CE1-CB 3.91Å; F242-D246 WeakPolarHBondContact O-CB 3.45Å; F242-D246 PolarHBondContact O-N 3.49Å; F242-G251 WeakPolarHBondContact CZ-O 3.26Å; F242-L253 HydrophobicContact CD2-CD1 3.99Å; F242-L253 HydrophobicContact CD2-CD2 4.06Å; F242-L253 HydrophobicContact CD2-CG 3.99Å; F242-L253 HydrophobicContact CE1-CD2 4.33Å; F242-L253 HydrophobicContact CE2-CD1 3.91Å; F242-L253 HydrophobicContact CE2-CD2 3.71Å; F242-L253 HydrophobicContact CE2-CG 3.46Å; F242-L253 VanDerWaalsContact CE2-CG 3.46Å; F242-L253 HydrophobicContact CZ-CD2 3.84Å; F242-L253 HydrophobicContact CZ-CG 3.96Å; F242-R307 HydrophobicContact CD1-CB 4.06Å; F242-R307 HydrophobicContact CD1-CG 3.81Å; F242-R307 HydrophobicContact CD2-CB 4.38Å; F242-R307 HydrophobicContact CD2-CG 4.34Å; F242-R307 HydrophobicContact CE1-CB 3.75Å; F242-R307 HydrophobicContact CE1-CG 4.03Å; F242-R307 HydrophobicContact CE2-CB 4.05Å; F242-R307 HydrophobicContact CE2-CG 4.49Å; F242-R307 HydrophobicContact CG-CB 4.38Å; F242-R307 HydrophobicContact CG-CG 3.99Å; F242-R307 HydrophobicContact CZ-CB 3.74Å; F242-R307 HydrophobicContact CZ-CG 4.37Å; F242-F310 HydrophobicContact CB-CD1 3.92Å; F242-F310 HydrophobicContact CB-CE1 4.13Å; F242-F310 HydrophobicContact CD2-CB 3.55Å; F242-F310 AromaticContact CD2-CD1 3.8Å; F242-F310 HydrophobicContact CD2-CD1 3.8Å; F242-F310 HydrophobicContact CD2-CD2 4.34Å; F242-F310 AromaticContact CD2-CG 3.64Å; F242-F310 HydrophobicContact CD2-CG 3.64Å; F242-F310 HydrophobicContact CE2-CB 3.9Å; F242-F310 HydrophobicContact CE2-CG 4.39Å; F242-F310 HydrophobicContact CG-CD1 4.35Å
243	A	88.2	Confident	87.2	Confident	66 Å²	66	57.1 Å²	57.1	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-67.6	-17	179.4	0	0	0	0	0	114	R239 T240 L241	R239-A243 PolarHBondContact O-N 3.28Å; T240-A243 PolarHBondContact O-N 2.98Å; L241-A243 VanDerWaalsContact C-N 3.3Å; L241-A243 PolarHBondContact O-N 3.48Å
244	D	86.5	Confident	88.3	Confident	43 Å²	43	53.7 Å²	53.7	23%	0.23	30%	0.298	C	S	.	.	H	α-helix	trans	-80.1	-32	172.3	-171.7	72.1	0	0	0	112.1	Y224 K227 Y228 T240 L241 F242	Y224-D244 WeakPolarHBondContact CE1-OD2 3.44Å; Y224-D244 PolarHBondContact OH-OD2 3.23Å; K227-D244 IonicContact NZ-OD2 3.24Å; Y228-D244 WeakPolarHBondContact CE2-OD1 3.29Å; Y228-D244 WeakPolarHBondContact CE2-OD2 3.37Å; Y228-D244 VanDerWaalsContact CZ-OD1 3.27Å; Y228-D244 PolarHBondContact OH-OD1 3.21Å; Y228-D244 PolarHBondContact OH-OD2 2.92Å; T240-D244 PolarHBondContact O-N 3.07Å; L241-D244 WeakPolarHBondContact O-CB 3.06Å; L241-D244 PolarHBondContact O-N 2.8Å; F242-D244 PolarHBondContact O-N 3.11Å
245	I	88.2	Confident	89.1	Confident	4 Å²	4	46 Å²	46	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-84.6	-35.2	179.3	-56.8	166.3	0	0	0	110.9	Y224 L241 F242 L247 L253 E257 F261	Y224-I245 HydrophobicContact CE1-CG1 4.27Å; L241-I245 HydrophobicContact CD1-CD1 4.16Å; L241-I245 HydrophobicContact CD1-CG1 4.42Å; L241-I245 HydrophobicContact CG-CD1 4.09Å; L241-I245 WeakPolarHBondContact O-CG1 3.37Å; L241-I245 PolarHBondContact O-N 3.26Å; F242-I245 PolarHBondContact O-N 3.38Å; F242-I245 VanDerWaalsContact O-N 3.12Å; I245-L247 PolarHBondContact O-N 3.35Å; I245-L253 HydrophobicContact CB-CD1 4.41Å; I245-L253 HydrophobicContact CB-CD2 3.98Å; I245-L253 HydrophobicContact CG2-CD1 4.06Å; I245-L253 HydrophobicContact CG2-CD2 3.87Å; I245-L253 HydrophobicContact CG2-CG 4.46Å; I245-E257 HydrophobicContact CG2-CB 4.26Å; I245-F261 HydrophobicContact CD1-CB 4.47Å; I245-F261 HydrophobicContact CD1-CD2 3.65Å; I245-F261 HydrophobicContact CD1-CE2 4.04Å; I245-F261 HydrophobicContact CD1-CG 3.95Å; I245-F261 HydrophobicContact CG1-CB 4.39Å; I245-F261 HydrophobicContact CG1-CD2 3.97Å; I245-F261 HydrophobicContact CG1-CG 4.31Å; I245-F261 HydrophobicContact CG2-CB 3.91Å; I245-F261 HydrophobicContact CG2-CG 4.49Å
246	D	90.2	Very high	89.5	Confident	16 Å²	16	46.5 Å²	46.5	9%	0.086	26%	0.259	C	S	.	.			trans	-71.7	84.9	173.2	-179.7	2.9	0	0	0	109.6	F242 G249 D250 G251 L253	F242-D246 HydrophobicContact CD1-CB 4.23Å; F242-D246 HydrophobicContact CE1-CB 3.91Å; F242-D246 WeakPolarHBondContact O-CB 3.45Å; F242-D246 PolarHBondContact O-N 3.49Å; D246-G249 WeakPolarHBondContact OD1-CA 3.5Å; D246-G249 PolarHBondContact OD1-N 3.24Å; D246-D250 PolarHBondContact OD1-N 2.82Å; D246-G251 VanDerWaalsContact OD2-CA 3.25Å; D246-G251 WeakPolarHBondContact OD2-CA 3.32Å; D246-G251 PolarHBondContact OD2-N 3.02Å; D246-L253 HydrophobicContact CB-CD2 3.78Å
247	L	80.2	Confident	89.7	Confident	137 Å²	137	44.9 Å²	44.9	72%	0.717	25%	0.252	S	S	*	.	S	Bend	trans	-75.6	-29.3	-169	-68.3	179.1	0	0	0	112.2	I245 E257	I245-L247 PolarHBondContact O-N 3.35Å; L247-E257 PolarHBondContact N-OE1 3.36Å
248	D	81.1	Confident	90	Very high	93 Å²	93	41.9 Å²	41.9	50%	0.497	24%	0.236	S	C	.	.	S	Bend	trans	-94.2	-12.7	178.4	70.2	18.6	0	0	0	113.5	D250	D248-D250 VanDerWaalsContact C-N 3.35Å; D248-D250 VanDerWaalsContact OD1-CB 3.27Å; D248-D250 WeakPolarHBondContact OD1-CB 3.43Å; D248-D250 VanDerWaalsContact OD1-CG 3.32Å; D248-D250 PolarHBondContact OD1-N 3.07Å
249	G	85.1	Confident	90.1	Very high	57 Å²	57	41.5 Å²	41.5	59%	0.588	23%	0.232	S	C	*	.			trans	74.9	23.5	174.6	0	0	0	0	0	113.3	D246 G251	D246-G249 WeakPolarHBondContact OD1-CA 3.5Å; D246-G249 PolarHBondContact OD1-N 3.24Å; G249-G251 VanDerWaalsContact C-N 3.25Å; G249-G251 PolarHBondContact O-N 3.13Å
250	D	85.8	Confident	90.1	Very high	35 Å²	35	36.4 Å²	36.4	19%	0.187	22%	0.224	C	C	.	.	S	Bend	trans	-78.9	-9.2	-179.5	87.7	-2.4	0	0	0	113.4	L124 D246 D248 Y252	L124-D250 HydrophobicContact CD2-CB 4.34Å; D246-D250 PolarHBondContact OD1-N 2.82Å; D248-D250 VanDerWaalsContact C-N 3.35Å; D248-D250 VanDerWaalsContact OD1-CB 3.27Å; D248-D250 WeakPolarHBondContact OD1-CB 3.43Å; D248-D250 VanDerWaalsContact OD1-CG 3.32Å; D248-D250 PolarHBondContact OD1-N 3.07Å; D250-Y252 WeakPolarHBondContact O-CD2 3.41Å; D250-Y252 WeakPolarHBondContact OD1-CA 3.39Å; D250-Y252 WeakPolarHBondContact OD1-CB 3.16Å; D250-Y252 PolarHBondContact OD1-N 2.55Å
251	G	91.2	Very high	90.2	Very high	21 Å²	21	33 Å²	33	22%	0.216	20%	0.204	C	C	.	.	S	Bend	trans	89.4	8.7	177.9	0	0	0	0	0	114.7	F242 D246 G249 R307	F242-G251 WeakPolarHBondContact CZ-O 3.26Å; D246-G251 VanDerWaalsContact OD2-CA 3.25Å; D246-G251 WeakPolarHBondContact OD2-CA 3.32Å; D246-G251 PolarHBondContact OD2-N 3.02Å; G249-G251 VanDerWaalsContact C-N 3.25Å; G249-G251 PolarHBondContact O-N 3.13Å; G251-R307 PolarHBondContact O-N 3.44Å
252	Y	94.6	Very high	90.4	Very high	62 Å²	62	33 Å²	33	24%	0.243	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.3	177.9	-61.4	-90.9	0	0	0	110.4	H123 D250 L304 V305	H123-Y252 AromaticContact CD2-CE1 3.92Å; H123-Y252 AromaticContact CD2-CE2 3.81Å; H123-Y252 AromaticContact CD2-CZ 3.72Å; H123-Y252 AromaticContact NE2-CD1 3.86Å; H123-Y252 AromaticContact NE2-CE1 3.24Å; H123-Y252 WeakPolarHBondContact NE2-CE1 3.48Å; H123-Y252 AromaticContact NE2-CE2 3.84Å; H123-Y252 AromaticContact NE2-CZ 3.23Å; H123-Y252 PolarHBondContact NE2-OH 3.13Å; D250-Y252 WeakPolarHBondContact O-CD2 3.41Å; D250-Y252 WeakPolarHBondContact OD1-CA 3.39Å; D250-Y252 WeakPolarHBondContact OD1-CB 3.16Å; D250-Y252 PolarHBondContact OD1-N 2.55Å; Y252-L304 HydrophobicContact CD1-CB 4.11Å; Y252-L304 HydrophobicContact CG-CB 4.48Å; Y252-V305 CarbonylContact C-O 3.55Å; Y252-V305 WeakPolarHBondContact CA-O 3.46Å
253	L	94.2	Very high	90.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114.9	167.2	-46	179.5	0	0	0	108.6	F242 I245 D246 E257 V258 F293 V305 F310	F242-L253 HydrophobicContact CD2-CD1 3.99Å; F242-L253 HydrophobicContact CD2-CD2 4.06Å; F242-L253 HydrophobicContact CD2-CG 3.99Å; F242-L253 HydrophobicContact CE1-CD2 4.33Å; F242-L253 HydrophobicContact CE2-CD1 3.91Å; F242-L253 HydrophobicContact CE2-CD2 3.71Å; F242-L253 HydrophobicContact CE2-CG 3.46Å; F242-L253 VanDerWaalsContact CE2-CG 3.46Å; F242-L253 HydrophobicContact CZ-CD2 3.84Å; F242-L253 HydrophobicContact CZ-CG 3.96Å; I245-L253 HydrophobicContact CB-CD1 4.41Å; I245-L253 HydrophobicContact CB-CD2 3.98Å; I245-L253 HydrophobicContact CG2-CD1 4.06Å; I245-L253 HydrophobicContact CG2-CD2 3.87Å; I245-L253 HydrophobicContact CG2-CG 4.46Å; D246-L253 HydrophobicContact CB-CD2 3.78Å; L253-E257 WeakPolarHBondContact CA-OE2 3.37Å; L253-V258 HydrophobicContact CB-CG2 3.91Å; L253-F293 HydrophobicContact CD1-CZ 4.44Å; L253-V305 HydrophobicContact CB-CB 4.13Å; L253-V305 HydrophobicContact CG-CB 4.49Å; L253-V305 PolarHBondContact N-O 3.1Å; L253-V305 PolarHBondContact O-N 2.91Å; L253-F310 HydrophobicContact CD1-CD2 4.02Å; L253-F310 HydrophobicContact CD1-CE2 4.36Å
254	N	94.8	Very high	90.5	Very high	9 Å²	9	33.3 Å²	33.3	5%	0.048	20%	0.197	C	C	.	.			trans	-84.5	172.6	173.3	69.6	63.2	0	0	0	111.7	V116 I120 H256 E257 V258 L304	V116-N254 HydrophobicContact CG1-CB 4.04Å; I120-N254 HydrophobicContact CD1-CB 3.88Å; I120-N254 WeakPolarHBondContact CD1-ND2 3.34Å; I120-N254 HydrophobicContact CG1-CB 4.19Å; N254-H256 VanDerWaalsContact C-N 3.25Å; N254-H256 PolarHBondContact O-N 3.07Å; N254-H256 WeakPolarHBondContact OD1-CB 3.23Å; N254-H256 PolarHBondContact OD1-N 2.85Å; N254-E257 VanDerWaalsContact CG-OE2 3.29Å; N254-E257 PolarHBondContact N-OE2 3.44Å; N254-E257 VanDerWaalsContact ND2-CD 3.26Å; N254-E257 PolarHBondContact ND2-OE2 3.35Å; N254-E257 PolarHBondContact O-N 3.22Å; N254-E257 PolarHBondContact OD1-N 2.98Å; N254-V258 WeakPolarHBondContact O-CG2 3.39Å; N254-V258 PolarHBondContact O-N 3.11Å; N254-L304 HydrophobicContact CB-CD2 3.74Å
255	I	95.3	Very high	90.8	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-52.4	-42.7	-179.3	-78.9	163.4	0	0	0	112.4	K112 V116 L158 V258 E259 M294 Y303	K112-I255 HydrophobicContact CD-CG2 4.05Å; V116-I255 HydrophobicContact CG2-CB 3.9Å; V116-I255 HydrophobicContact CG2-CD1 3.92Å; V116-I255 HydrophobicContact CG2-CG1 4.46Å; V116-I255 HydrophobicContact CG2-CG2 4.3Å; L158-I255 HydrophobicContact CD1-CD1 3.97Å; L158-I255 HydrophobicContact CD2-CD1 4.18Å; I255-V258 PolarHBondContact O-N 2.86Å; I255-E259 HydrophobicContact CG2-CG 4.26Å; I255-E259 WeakPolarHBondContact O-CB 3.26Å; I255-E259 VanDerWaalsContact O-CG 3.26Å; I255-E259 WeakPolarHBondContact O-CG 3.49Å; I255-E259 PolarHBondContact O-N 3.28Å; I255-M294 HydrophobicContact CG1-CE 3.93Å; I255-Y303 HydrophobicContact CD1-CD1 3.58Å; I255-Y303 HydrophobicContact CD1-CE1 4.13Å; I255-Y303 HydrophobicContact CG1-CD1 4.46Å
256	H	91.7	Very high	91.1	Very high	59 Å²	59	31.2 Å²	31.2	27%	0.273	19%	0.186	S	C	.	.	H	α-helix	trans	-73	-35.5	-175.3	-64.8	-46.8	0	0	0	112.7	R113 N254 E259 A260	R113-H256 VanDerWaalsContact CA-NE2 3.33Å; R113-H256 WeakPolarHBondContact CA-NE2 3.11Å; N254-H256 VanDerWaalsContact C-N 3.25Å; N254-H256 PolarHBondContact O-N 3.07Å; N254-H256 WeakPolarHBondContact OD1-CB 3.23Å; N254-H256 PolarHBondContact OD1-N 2.85Å; H256-E259 IonicContact ND1-OE2 2.87Å; H256-E259 PolarHBondContact ND1-OE2 3.44Å; H256-E259 PolarHBondContact O-N 3.19Å; H256-A260 VanDerWaalsContact O-CB 3.22Å; H256-A260 WeakPolarHBondContact O-CB 3.5Å; H256-A260 PolarHBondContact O-N 3.1Å
257	E	90.6	Very high	91.3	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-67.5	-41.4	175	-67.9	170.4	138.5	0	0	111.1	I245 L247 L253 N254 A260 F261	I245-E257 HydrophobicContact CG2-CB 4.26Å; L247-E257 PolarHBondContact N-OE1 3.36Å; L253-E257 WeakPolarHBondContact CA-OE2 3.37Å; N254-E257 VanDerWaalsContact CG-OE2 3.29Å; N254-E257 PolarHBondContact N-OE2 3.44Å; N254-E257 VanDerWaalsContact ND2-CD 3.26Å; N254-E257 PolarHBondContact ND2-OE2 3.35Å; N254-E257 PolarHBondContact O-N 3.22Å; N254-E257 PolarHBondContact OD1-N 2.98Å; E257-A260 PolarHBondContact O-N 3.35Å; E257-F261 WeakPolarHBondContact O-CB 3.49Å; E257-F261 PolarHBondContact O-N 3.18Å
258	V	96.3	Very high	91.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.6	-46.8	173.5	174.9	0	0	0	0	110.8	L253 N254 I255 A260 F261 L262 R290 F293 M294	L253-V258 HydrophobicContact CB-CG2 3.91Å; N254-V258 WeakPolarHBondContact O-CG2 3.39Å; N254-V258 PolarHBondContact O-N 3.11Å; I255-V258 PolarHBondContact O-N 2.86Å; V258-A260 PolarHBondContact O-N 3.03Å; V258-F261 PolarHBondContact O-N 3.24Å; V258-L262 HydrophobicContact CG1-CD1 3.74Å; V258-L262 HydrophobicContact CG1-CG 4.31Å; V258-L262 WeakPolarHBondContact O-CB 3.39Å; V258-L262 WeakPolarHBondContact O-CG 3.09Å; V258-L262 PolarHBondContact O-N 3.39Å; V258-R290 HydrophobicContact CG1-CG 3.96Å; V258-F293 HydrophobicContact CB-CD1 4.4Å; V258-F293 HydrophobicContact CG1-CB 4.08Å; V258-F293 HydrophobicContact CG1-CD1 3.48Å; V258-F293 VanDerWaalsContact CG1-CD1 3.48Å; V258-F293 HydrophobicContact CG1-CD2 4.49Å; V258-F293 HydrophobicContact CG1-CE1 3.98Å; V258-F293 HydrophobicContact CG1-CG 3.77Å; V258-F293 HydrophobicContact CG2-CD1 3.94Å; V258-F293 HydrophobicContact CG2-CE1 3.69Å; V258-F293 HydrophobicContact CG2-CZ 4.49Å; V258-M294 HydrophobicContact CB-CE 4.1Å; V258-M294 HydrophobicContact CG1-CE 4.41Å; V258-M294 HydrophobicContact CG2-CE 3.76Å
259	E	94.4	Very high	92.6	Very high	14 Å²	14	28 Å²	28	7%	0.065	16%	0.164	C	C	.	.	H	α-helix	trans	-59.7	-44.1	176.3	-75.2	173.5	160.6	0	0	111.6	K112 I255 H256 L262 Q263 Q286 R290	K112-E259 IonicContact NZ-OE1 3.23Å; K112-E259 PolarHBondContact NZ-OE1 3.41Å; I255-E259 HydrophobicContact CG2-CG 4.26Å; I255-E259 WeakPolarHBondContact O-CB 3.26Å; I255-E259 VanDerWaalsContact O-CG 3.26Å; I255-E259 WeakPolarHBondContact O-CG 3.49Å; I255-E259 PolarHBondContact O-N 3.28Å; H256-E259 IonicContact ND1-OE2 2.87Å; H256-E259 PolarHBondContact ND1-OE2 3.44Å; H256-E259 PolarHBondContact O-N 3.19Å; E259-L262 PolarHBondContact O-N 2.9Å; E259-Q263 WeakPolarHBondContact O-CB 3.5Å; E259-Q263 PolarHBondContact O-N 3.06Å; E259-Q286 HydrophobicContact CB-CG 4.3Å; E259-Q286 HydrophobicContact CG-CG 4.19Å; E259-R290 HydrophobicContact CG-CB 4.37Å; E259-R290 HydrophobicContact CG-CG 4.23Å; E259-R290 IonicContact OE1-CZ 3.56Å; E259-R290 IonicContact OE1-NH1 3.25Å; E259-R290 PolarHBondContact OE1-NH1 3.22Å
260	A	90.6	Very high	93	Very high	55 Å²	55	25.6 Å²	25.6	46%	0.455	14%	0.137	S	C	.	.	H	α-helix	trans	-65.5	-40.1	178.6	0	0	0	0	0	112.4	H256 E257 V258 Q263	H256-A260 VanDerWaalsContact O-CB 3.22Å; H256-A260 WeakPolarHBondContact O-CB 3.5Å; H256-A260 PolarHBondContact O-N 3.1Å; E257-A260 PolarHBondContact O-N 3.35Å; V258-A260 PolarHBondContact O-N 3.03Å; A260-Q263 WeakPolarHBondContact O-CB 3.39Å; A260-Q263 PolarHBondContact O-N 3.45Å
261	F	92	Very high	93.2	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.013	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-49.4	172	162.6	-105.8	0	0	0	111	Q220 L221 Y224 I245 E257 V258 Q263 T264 F293	Q220-F261 HydrophobicContact CG-CZ 4.17Å; L221-F261 HydrophobicContact CD2-CE1 4.36Å; L221-F261 HydrophobicContact CD2-CE2 4.45Å; L221-F261 HydrophobicContact CD2-CZ 3.75Å; Y224-F261 HydrophobicContact CD1-CD2 4.11Å; Y224-F261 AromaticContact CD1-CE2 3.89Å; Y224-F261 HydrophobicContact CD1-CE2 3.89Å; Y224-F261 AromaticContact CD2-CD2 3.57Å; Y224-F261 HydrophobicContact CD2-CD2 3.57Å; Y224-F261 AromaticContact CD2-CE2 3.57Å; Y224-F261 HydrophobicContact CD2-CE2 3.57Å; Y224-F261 HydrophobicContact CE1-CD2 4.05Å; Y224-F261 HydrophobicContact CE1-CE2 4.29Å; Y224-F261 AromaticContact CE2-CD2 3.52Å; Y224-F261 HydrophobicContact CE2-CD2 3.52Å; Y224-F261 HydrophobicContact CE2-CE2 4.03Å; Y224-F261 AromaticContact CG-CD2 3.86Å; Y224-F261 HydrophobicContact CG-CD2 3.86Å; Y224-F261 AromaticContact CG-CE2 3.48Å; Y224-F261 HydrophobicContact CG-CE2 3.48Å; Y224-F261 VanDerWaalsContact CG-CE2 3.48Å; Y224-F261 AromaticContact CZ-CD2 3.74Å; I245-F261 HydrophobicContact CD1-CB 4.47Å; I245-F261 HydrophobicContact CD1-CD2 3.65Å; I245-F261 HydrophobicContact CD1-CE2 4.04Å; I245-F261 HydrophobicContact CD1-CG 3.95Å; I245-F261 HydrophobicContact CG1-CB 4.39Å; I245-F261 HydrophobicContact CG1-CD2 3.97Å; I245-F261 HydrophobicContact CG1-CG 4.31Å; I245-F261 HydrophobicContact CG2-CB 3.91Å; I245-F261 HydrophobicContact CG2-CG 4.49Å; E257-F261 WeakPolarHBondContact O-CB 3.49Å; E257-F261 PolarHBondContact O-N 3.18Å; V258-F261 PolarHBondContact O-N 3.24Å; F261-Q263 VanDerWaalsContact C-N 3.29Å; F261-Q263 PolarHBondContact O-N 3.02Å; F261-T264 PolarHBondContact O-N 3.02Å; F261-T264 PolarHBondContact O-OG1 2.7Å; F261-F293 HydrophobicContact CD1-CE2 4.18Å; F261-F293 HydrophobicContact CE1-CD2 4.32Å; F261-F293 AromaticContact CE1-CE2 3.87Å; F261-F293 HydrophobicContact CE1-CE2 3.87Å
262	L	95.2	Very high	92.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69.6	-25.7	-178.6	-65.7	172.5	0	0	0	113.1	P215 V258 E259 T264 E265 L266 M289 R290 F293	P215-L262 HydrophobicContact CB-CD2 3.97Å; V258-L262 HydrophobicContact CG1-CD1 3.74Å; V258-L262 HydrophobicContact CG1-CG 4.31Å; V258-L262 WeakPolarHBondContact O-CB 3.39Å; V258-L262 WeakPolarHBondContact O-CG 3.09Å; V258-L262 PolarHBondContact O-N 3.39Å; E259-L262 PolarHBondContact O-N 2.9Å; L262-T264 PolarHBondContact O-N 3.42Å; L262-E265 WeakPolarHBondContact O-CB 3.48Å; L262-E265 PolarHBondContact O-N 3.44Å; L262-L266 PolarHBondContact O-N 3.13Å; L262-M289 HydrophobicContact CD1-CB 3.96Å; L262-M289 HydrophobicContact CD2-CE 4.42Å; L262-R290 HydrophobicContact CD1-CB 4.14Å; L262-F293 HydrophobicContact CD1-CB 4.25Å; L262-F293 HydrophobicContact CD2-CD2 4.39Å
263	Q	92.2	Very high	92.5	Very high	33 Å²	33	34.7 Å²	34.7	15%	0.154	18%	0.184	C	C	.	.	H	α-helix	trans	-56.8	-33.7	177.7	-173.2	58.3	38.8	0	0	112	E259 A260 F261 E265 L266 E267 E282	E259-Q263 WeakPolarHBondContact O-CB 3.5Å; E259-Q263 PolarHBondContact O-N 3.06Å; A260-Q263 WeakPolarHBondContact O-CB 3.39Å; A260-Q263 PolarHBondContact O-N 3.45Å; F261-Q263 VanDerWaalsContact C-N 3.29Å; F261-Q263 PolarHBondContact O-N 3.02Å; Q263-E265 PolarHBondContact O-N 3.36Å; Q263-L266 PolarHBondContact O-N 3.07Å; Q263-E267 HydrophobicContact CG-CG 4.26Å; Q263-E267 WeakPolarHBondContact O-CG 3.27Å; Q263-E267 PolarHBondContact O-N 3.01Å; Q263-E282 PolarHBondContact NE2-OE1 3.35Å
264	T	90.1	Very high	92.2	Very high	44 Å²	44	37.8 Å²	37.8	27%	0.27	20%	0.2	S	C	.	.	H	α-helix	trans	-61.3	-27.7	177.5	64	0	0	0	0	113.6	Y224 F261 L262	Y224-T264 HydrophobicContact CD2-CG2 4.2Å; Y224-T264 WeakPolarHBondContact CD2-OG1 3.44Å; Y224-T264 HydrophobicContact CE2-CG2 3.87Å; F261-T264 PolarHBondContact O-N 3.02Å; F261-T264 PolarHBondContact O-OG1 2.7Å; L262-T264 PolarHBondContact O-N 3.42Å
265	E	93.5	Very high	91.9	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-77.1	-37.1	171.8	-77	-55.7	125.6	0	0	112.1	I212 H213 Q220 L262 Q263 K268 M289	I212-E265 HydrophobicContact CG2-CB 4.01Å; H213-E265 PolarHBondContact N-OE2 3.16Å; Q220-E265 HydrophobicContact CG-CG 3.75Å; L262-E265 WeakPolarHBondContact O-CB 3.48Å; L262-E265 PolarHBondContact O-N 3.44Å; Q263-E265 PolarHBondContact O-N 3.36Å; E265-K268 WeakPolarHBondContact O-CB 3.47Å; E265-K268 WeakPolarHBondContact O-CG 3.25Å; E265-K268 PolarHBondContact O-N 3.34Å; E265-K268 IonicContact OE1-NZ 2.7Å; E265-K268 PolarHBondContact OE1-NZ 3.17Å; E265-K268 IonicContact OE2-NZ 2.75Å; E265-K268 PolarHBondContact OE2-NZ 2.9Å; E265-M289 HydrophobicContact CB-CE 4.04Å; E265-M289 HydrophobicContact CG-CE 4.38Å
266	L	95	Very high	91.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-73.2	-32.3	-177.7	-66.5	177.5	0	0	0	112.8	L262 Q263 K268 V269 Y270 E282 D285 Q286 M289	L262-L266 PolarHBondContact O-N 3.13Å; Q263-L266 PolarHBondContact O-N 3.07Å; L266-K268 PolarHBondContact O-N 3.38Å; L266-V269 PolarHBondContact O-N 3.27Å; L266-Y270 HydrophobicContact CB-CD2 4.25Å; L266-Y270 HydrophobicContact CD2-CD2 4.26Å; L266-Y270 HydrophobicContact CD2-CE2 4.13Å; L266-Y270 PolarHBondContact O-N 3.26Å; L266-E282 HydrophobicContact CD1-CG 4.49Å; L266-D285 HydrophobicContact CD2-CB 3.75Å; L266-Q286 HydrophobicContact CD1-CB 3.52Å; L266-Q286 HydrophobicContact CD1-CG 3.98Å; L266-M289 HydrophobicContact CD2-SD 3.56Å; L266-M289 VanDerWaalsContact CD2-SD 3.56Å; L266-M289 HydrophobicContact CG-SD 4.02Å
267	E	92.9	Very high	91.4	Very high	123 Å²	123	44.3 Å²	44.3	58%	0.575	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.1	174.2	-74.8	172	-177.1	0	0	113.1	Q263 V269	Q263-E267 HydrophobicContact CG-CG 4.26Å; Q263-E267 WeakPolarHBondContact O-CG 3.27Å; Q263-E267 PolarHBondContact O-N 3.01Å; E267-V269 PolarHBondContact O-N 3.32Å
268	K	94.2	Very high	91.4	Very high	39 Å²	39	44.9 Å²	44.9	17%	0.17	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.2	172.6	-60.8	172.1	-174.3	174.9	0	112.4	H209 P210 E223 E265 L266	H209-K268 VanDerWaalsContact CB-O 3.25Å; H209-K268 WeakPolarHBondContact CB-O 3.38Å; P210-K268 HydrophobicContact CB-CB 4.44Å; P210-K268 HydrophobicContact CB-CD 4.22Å; P210-K268 HydrophobicContact CB-CG 4.42Å; P210-K268 HydrophobicContact CG-CB 4.45Å; E223-K268 VanDerWaalsContact OE1-CE 3.26Å; E223-K268 WeakPolarHBondContact OE1-CE 3.32Å; E223-K268 IonicContact OE1-NZ 2.73Å; E223-K268 PolarHBondContact OE1-NZ 3.29Å; E223-K268 IonicContact OE2-NZ 3.54Å; E223-K268 PolarHBondContact OE2-NZ 3.02Å; E265-K268 WeakPolarHBondContact O-CB 3.47Å; E265-K268 WeakPolarHBondContact O-CG 3.25Å; E265-K268 PolarHBondContact O-N 3.34Å; E265-K268 IonicContact OE1-NZ 2.7Å; E265-K268 PolarHBondContact OE1-NZ 3.17Å; E265-K268 IonicContact OE2-NZ 2.75Å; E265-K268 PolarHBondContact OE2-NZ 2.9Å; L266-K268 PolarHBondContact O-N 3.38Å
269	V	94.7	Very high	91	Very high	16 Å²	16	45.5 Å²	45.5	10%	0.097	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-44.4	-173.7	177.9	0	0	0	0	112.5	H209 I212 L266 E267 T327	H209-V269 HydrophobicContact CB-CG2 3.86Å; H209-V269 WeakPolarHBondContact CD2-CG2 3.42Å; H209-V269 VanDerWaalsContact CG-CG2 3.42Å; I212-V269 HydrophobicContact CD1-CB 4.13Å; I212-V269 HydrophobicContact CD1-CG2 3.15Å; I212-V269 HydrophobicContact CG1-CG2 3.73Å; L266-V269 PolarHBondContact O-N 3.27Å; E267-V269 PolarHBondContact O-N 3.32Å; V269-T327 HydrophobicContact CG1-CG2 4.36Å; V269-T327 HydrophobicContact CG2-CG2 4.44Å
270	Y	93	Very high	90.8	Very high	6 Å²	6	46.6 Å²	46.6	2%	0.024	25%	0.252	C	S	.	.			trans	-98.5	116.7	-174.7	-61.4	-66.3	0	0	0	109.9	L266 E281 E282 D285 Q329	L266-Y270 HydrophobicContact CB-CD2 4.25Å; L266-Y270 HydrophobicContact CD2-CD2 4.26Å; L266-Y270 HydrophobicContact CD2-CE2 4.13Å; L266-Y270 PolarHBondContact O-N 3.26Å; Y270-E281 HydrophobicContact CE1-CB 3.81Å; Y270-E282 HydrophobicContact CD1-CB 4.14Å; Y270-E282 HydrophobicContact CD2-CB 3.82Å; Y270-E282 HydrophobicContact CD2-CG 3.84Å; Y270-E282 HydrophobicContact CE2-CB 4.23Å; Y270-E282 HydrophobicContact CG-CB 3.75Å; Y270-E282 HydrophobicContact CG-CG 4.01Å; Y270-D285 HydrophobicContact CE2-CB 4.26Å; Y270-D285 WeakPolarHBondContact CE2-OD2 3.37Å; Y270-D285 PolarHBondContact OH-OD2 3.41Å; Y270-Q329 HydrophobicContact CE1-CB 4.27Å; Y270-Q329 PolarHBondContact OH-N 3.14Å
271	N	90	Very high	91	Very high	61 Å²	61	44.3 Å²	44.3	33%	0.326	23%	0.232	S	C	.	.			trans	-126.1	117.6	173.2	179.4	-0.9	0	0	0	109.4	E273 D274 Y277	N271-E273 PolarHBondContact O-N 2.86Å; N271-E273 WeakPolarHBondContact OD1-CB 3.33Å; N271-E273 PolarHBondContact OD1-N 3.33Å; N271-D274 HydrophobicContact CB-CB 4.47Å; N271-D274 WeakPolarHBondContact O-CB 3.39Å; N271-D274 PolarHBondContact O-N 2.66Å; N271-Y277 VanDerWaalsContact O-CB 3.31Å; N271-Y277 WeakPolarHBondContact O-CB 3.44Å
272	P	86.6	Confident	91	Very high	74 Å²	74	45.3 Å²	45.3	48%	0.481	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-17	177.8	-26.4	35.2	0	0	0	115.5	Y277	P272-Y277 HydrophobicContact CB-CD1 4.37Å; P272-Y277 HydrophobicContact CB-CE1 4.15Å; P272-Y277 HydrophobicContact CG-CE1 4.35Å; P272-Y277 HydrophobicContact CG-CE2 4.17Å
273	E	85.9	Confident	90.8	Very high	175 Å²	175	48 Å²	48	82%	0.818	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-14.1	175.1	-58.1	-170.8	157	0	0	113.5	N271	N271-E273 PolarHBondContact O-N 2.86Å; N271-E273 WeakPolarHBondContact OD1-CB 3.33Å; N271-E273 PolarHBondContact OD1-N 3.33Å
274	D	87.5	Confident	91	Very high	64 Å²	64	47.3 Å²	47.3	34%	0.342	24%	0.243	S	C	.	.	S	Bend	trans	-74.1	137.6	-179.4	-82.3	-30.4	0	0	0	111.7	N271 D276 Y277	N271-D274 HydrophobicContact CB-CB 4.47Å; N271-D274 WeakPolarHBondContact O-CB 3.39Å; N271-D274 PolarHBondContact O-N 2.66Å; D274-D276 PolarHBondContact O-N 2.87Å; D274-D276 VanDerWaalsContact O-N 3.14Å; D274-Y277 WeakPolarHBondContact O-CB 3.32Å; D274-Y277 PolarHBondContact O-N 2.71Å
275	P	88.3	Confident	91.3	Very high	128 Å²	128	45.3 Å²	45.3	83%	0.831	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.9	-177.9	-22.7	33.1	0	0	0	115.1
276	D	88.1	Confident	91.4	Very high	39 Å²	39	47 Å²	47	21%	0.209	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	6.1	-176.6	46.1	-25.7	0	0	0	112.8	L202 K205 H206 D274 D278	L202-D276 HydrophobicContact CD1-CB 4.19Å; L202-D276 VanDerWaalsContact CD1-OD2 3.24Å; L202-D276 WeakPolarHBondContact CD1-OD2 3.43Å; K205-D276 VanDerWaalsContact NZ-CG 3.27Å; K205-D276 IonicContact NZ-OD1 3.34Å; K205-D276 PolarHBondContact NZ-OD1 3.23Å; K205-D276 IonicContact NZ-OD2 3.8Å; K205-D276 PolarHBondContact NZ-OD2 2.91Å; H206-D276 IonicContact CD2-OD2 2.71Å; H206-D276 IonicContact NE2-OD2 3.84Å; H206-D276 PolarHBondContact NE2-OD2 3.02Å; H206-D276 VanDerWaalsContact NE2-OD2 3.07Å; D274-D276 PolarHBondContact O-N 2.87Å; D274-D276 VanDerWaalsContact O-N 3.14Å; D276-D278 PolarHBondContact O-N 3.34Å
277	Y	89.5	Confident	91.4	Very high	43 Å²	43	47.2 Å²	47.2	17%	0.169	24%	0.24	C	C	.	.			trans	-63.5	125.1	177.7	169.6	-101.3	0	0	0	112.1	T102 N271 P272 D274 P279 E282	T102-Y277 HydrophobicContact CG2-CE1 3.74Å; T102-Y277 WeakPolarHBondContact CG2-OH 3.34Å; N271-Y277 VanDerWaalsContact O-CB 3.31Å; N271-Y277 WeakPolarHBondContact O-CB 3.44Å; P272-Y277 HydrophobicContact CB-CD1 4.37Å; P272-Y277 HydrophobicContact CB-CE1 4.15Å; P272-Y277 HydrophobicContact CG-CE1 4.35Å; P272-Y277 HydrophobicContact CG-CE2 4.17Å; D274-Y277 WeakPolarHBondContact O-CB 3.32Å; D274-Y277 PolarHBondContact O-N 2.71Å; Y277-P279 HydrophobicContact CE1-CB 3.8Å; Y277-P279 HydrophobicContact CE1-CG 4.16Å; Y277-E282 PolarHBondContact OH-OE2 3.05Å
278	D	89.7	Confident	91.6	Very high	22 Å²	22	44.2 Å²	44.2	12%	0.118	23%	0.225	C	C	.	.			trans	-114.3	111.8	170.2	-169.1	-18.4	0	0	0	110.6	H172 D276 W280 E281 E282	H172-D278 IonicContact CD2-OD2 2.85Å; H172-D278 IonicContact CE1-OD2 3.25Å; H172-D278 IonicContact NE2-OD1 2.97Å; H172-D278 IonicContact NE2-OD2 2.89Å; H172-D278 PolarHBondContact NE2-OD2 3.41Å; D276-D278 PolarHBondContact O-N 3.34Å; D278-W280 PolarHBondContact O-N 2.88Å; D278-W280 VanDerWaalsContact OD1-CB 3.29Å; D278-W280 WeakPolarHBondContact OD1-CB 3.29Å; D278-W280 PolarHBondContact OD1-N 3.43Å; D278-E281 HydrophobicContact CB-CB 4.29Å; D278-E281 HydrophobicContact CB-CG 3.88Å; D278-E281 PolarHBondContact O-N 2.9Å; D278-E282 PolarHBondContact O-N 3.09Å
279	P	87.9	Confident	91.8	Very high	12 Å²	12	42.4 Å²	42.4	8%	0.078	22%	0.217	C	C	.	.	H	α-helix	trans	-65.9	-19.6	177.9	27.5	-35.3	0	0	0	113.9	L98 T102 Y277 R283	L98-P279 HydrophobicContact CD1-CB 3.84Å; L98-P279 HydrophobicContact CD1-CG 4.29Å; L98-P279 HydrophobicContact CD2-CB 4.03Å; L98-P279 HydrophobicContact CD2-CG 3.78Å; L98-P279 HydrophobicContact CG-CB 3.73Å; L98-P279 HydrophobicContact CG-CG 3.61Å; T102-P279 HydrophobicContact CG2-CB 4.38Å; Y277-P279 HydrophobicContact CE1-CB 3.8Å; Y277-P279 HydrophobicContact CE1-CG 4.16Å; P279-R283 WeakPolarHBondContact O-CB 3.34Å; P279-R283 VanDerWaalsContact O-CG 3.29Å; P279-R283 WeakPolarHBondContact O-CG 3.17Å; P279-R283 PolarHBondContact O-N 2.99Å
280	W	90.3	Very high	91.9	Very high	37 Å²	37	41.8 Å²	41.8	14%	0.14	21%	0.213	C	C	.	.	H	α-helix	trans	-70.9	-40.1	175.1	-70.8	97.4	0	0	0	111.9	D95 L98 K168 Y169 H172 D278 H284	D95-W280 HydrophobicContact CB-CZ2 4.49Å; L98-W280 HydrophobicContact CD2-CD2 3.75Å; L98-W280 VanDerWaalsContact CD2-CE2 3.44Å; L98-W280 HydrophobicContact CD2-CE3 4.5Å; L98-W280 HydrophobicContact CD2-CG 3.88Å; L98-W280 HydrophobicContact CD2-CZ2 3.96Å; K168-W280 HydrophobicContact CB-CH2 4.11Å; K168-W280 HydrophobicContact CB-CZ3 3.74Å; Y169-W280 HydrophobicContact CD2-CB 4.14Å; Y169-W280 WeakPolarHBondContact CD2-O 3.39Å; Y169-W280 HydrophobicContact CE2-CB 4.5Å; H172-W280 HydrophobicContact CB-CD2 4.37Å; H172-W280 AromaticContact CD2-CD1 3.82Å; H172-W280 AromaticContact CD2-CG 3.67Å; H172-W280 AromaticContact CE1-CD1 3.64Å; H172-W280 AromaticContact CG-CD1 3.98Å; H172-W280 AromaticContact CG-CG 3.95Å; H172-W280 AromaticContact ND1-CD1 3.92Å; H172-W280 AromaticContact ND1-NE1 3.98Å; H172-W280 AromaticContact NE2-CD1 3.59Å; H172-W280 AromaticContact NE2-CG 3.86Å; D278-W280 PolarHBondContact O-N 2.88Å; D278-W280 VanDerWaalsContact OD1-CB 3.29Å; D278-W280 WeakPolarHBondContact OD1-CB 3.29Å; D278-W280 PolarHBondContact OD1-N 3.43Å; W280-H284 WeakPolarHBondContact O-CB 3.43Å; W280-H284 PolarHBondContact O-N 2.95Å
281	E	93.6	Very high	92	Very high	8 Å²	8	44 Å²	44	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-48.3	176.8	-67.6	-177.9	161.4	0	0	110.5	Y270 D278 R283 H284 D285 A328 Q329 E332	Y270-E281 HydrophobicContact CE1-CB 3.81Å; D278-E281 HydrophobicContact CB-CB 4.29Å; D278-E281 HydrophobicContact CB-CG 3.88Å; D278-E281 PolarHBondContact O-N 2.9Å; E281-R283 PolarHBondContact O-N 3.32Å; E281-H284 WeakPolarHBondContact O-CB 3.25Å; E281-H284 PolarHBondContact O-N 2.92Å; E281-D285 PolarHBondContact O-N 3.27Å; E281-A328 HydrophobicContact CB-CB 3.79Å; E281-A328 HydrophobicContact CG-CB 4.06Å; E281-Q329 WeakPolarHBondContact OE2-CB 3.36Å; E281-E332 VanDerWaalsContact OE1-CD 3.23Å
282	E	92.9	Very high	92.3	Very high	23 Å²	23	45 Å²	45	11%	0.107	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-48.3	178.3	-177.7	-178.8	-149.9	0	0	112	Q263 L266 Y270 Y277 D278 H284 D285 Q286	Q263-E282 PolarHBondContact NE2-OE1 3.35Å; L266-E282 HydrophobicContact CD1-CG 4.49Å; Y270-E282 HydrophobicContact CD1-CB 4.14Å; Y270-E282 HydrophobicContact CD2-CB 3.82Å; Y270-E282 HydrophobicContact CD2-CG 3.84Å; Y270-E282 HydrophobicContact CE2-CB 4.23Å; Y270-E282 HydrophobicContact CG-CB 3.75Å; Y270-E282 HydrophobicContact CG-CG 4.01Å; Y277-E282 PolarHBondContact OH-OE2 3.05Å; D278-E282 PolarHBondContact O-N 3.09Å; E282-H284 VanDerWaalsContact C-N 3.3Å; E282-H284 PolarHBondContact O-N 3.32Å; E282-D285 PolarHBondContact O-N 3.27Å; E282-Q286 WeakPolarHBondContact O-CB 3.4Å; E282-Q286 PolarHBondContact O-N 3.47Å
283	R	91.8	Very high	92.8	Very high	56 Å²	56	41.5 Å²	41.5	21%	0.211	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-36.4	179.1	-75.5	179.1	172	-151.8	0.5	112.5	L98 D106 D109 P279 E281 K287	L98-R283 VanDerWaalsContact CD1-NH2 3.29Å; D106-R283 IonicContact OD1-NH1 2.66Å; D106-R283 IonicContact OD2-CZ 2.76Å; D106-R283 IonicContact OD2-NH1 3.83Å; D106-R283 PolarHBondContact OD2-NH1 2.97Å; D106-R283 IonicContact OD2-NH2 3.65Å; D109-R283 IonicContact OD1-CZ 2.9Å; D109-R283 IonicContact OD1-NH1 2.66Å; D109-R283 IonicContact OD2-CZ 3.43Å; D109-R283 VanDerWaalsContact OD2-CZ 3.25Å; D109-R283 IonicContact OD2-NH1 3.62Å; D109-R283 PolarHBondContact OD2-NH1 3.45Å; D109-R283 IonicContact OD2-NH2 2.62Å; D109-R283 PolarHBondContact OD2-NH2 2.94Å; P279-R283 WeakPolarHBondContact O-CB 3.34Å; P279-R283 VanDerWaalsContact O-CG 3.29Å; P279-R283 WeakPolarHBondContact O-CG 3.17Å; P279-R283 PolarHBondContact O-N 2.99Å; E281-R283 PolarHBondContact O-N 3.32Å; R283-K287 WeakPolarHBondContact O-CB 3.5Å; R283-K287 PolarHBondContact O-N 3.47Å; R283-K287 VanDerWaalsContact O-N 3.07Å
284	H	94.9	Very high	93.3	Very high	19 Å²	19	33.8 Å²	33.8	9%	0.088	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-51.2	173.8	-179.2	80.8	0	0	0	110.7	E166 Y169 W280 E281 E282 K287 K288	E166-H284 IonicContact OE1-CE1 3.97Å; E166-H284 PolarHBondContact OE1-CE1 2.97Å; E166-H284 IonicContact OE1-ND1 3.59Å; E166-H284 IonicContact OE2-CE1 2.68Å; E166-H284 PolarHBondContact OE2-CE1 3.07Å; E166-H284 VanDerWaalsContact OE2-CE1 3.24Å; E166-H284 IonicContact OE2-ND1 3.93Å; E166-H284 PolarHBondContact OE2-ND1 2.66Å; Y169-H284 HydrophobicContact CD1-CB 4.1Å; Y169-H284 AromaticContact CD1-CE1 3.51Å; Y169-H284 AromaticContact CD1-CG 3.6Å; Y169-H284 AromaticContact CD1-ND1 3.06Å; Y169-H284 WeakPolarHBondContact CD1-ND1 3.45Å; Y169-H284 HydrophobicContact CD2-CB 3.66Å; Y169-H284 HydrophobicContact CE1-CB 4.02Å; Y169-H284 AromaticContact CE1-CD2 3.72Å; Y169-H284 AromaticContact CE1-CE1 3.44Å; Y169-H284 VanDerWaalsContact CE1-CE1 3.44Å; Y169-H284 WeakPolarHBondContact CE1-CE1 3.44Å; Y169-H284 AromaticContact CE1-CG 3.4Å; Y169-H284 VanDerWaalsContact CE1-CG 3.4Å; Y169-H284 AromaticContact CE1-ND1 3.26Å; Y169-H284 VanDerWaalsContact CE1-ND1 3.26Å; Y169-H284 WeakPolarHBondContact CE1-ND1 3.3Å; Y169-H284 AromaticContact CE1-NE2 3.76Å; Y169-H284 HydrophobicContact CE2-CB 3.62Å; Y169-H284 AromaticContact CE2-CG 3.96Å; Y169-H284 HydrophobicContact CG-CB 3.9Å; Y169-H284 AromaticContact CG-CG 3.91Å; Y169-H284 AromaticContact CG-ND1 3.57Å; Y169-H284 AromaticContact CZ-CD2 3.89Å; Y169-H284 AromaticContact CZ-CG 3.59Å; Y169-H284 AromaticContact CZ-ND1 3.95Å; W280-H284 WeakPolarHBondContact O-CB 3.43Å; W280-H284 PolarHBondContact O-N 2.95Å; E281-H284 WeakPolarHBondContact O-CB 3.25Å; E281-H284 PolarHBondContact O-N 2.92Å; E282-H284 VanDerWaalsContact C-N 3.3Å; E282-H284 PolarHBondContact O-N 3.32Å; H284-K287 PolarHBondContact O-N 3.17Å; H284-K288 WeakPolarHBondContact CE1-CE 3.31Å; H284-K288 WeakPolarHBondContact NE2-CE 3.47Å; H284-K288 VanDerWaalsContact O-CG 3.31Å; H284-K288 WeakPolarHBondContact O-CG 3.47Å; H284-K288 PolarHBondContact O-N 3.48Å
285	D	97.1	Very high	93.6	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-45.8	178.9	-84.3	-35.6	0	0	0	111.8	L266 Y270 E281 E282 K287 K288 M289 W325 T327 A328	L266-D285 HydrophobicContact CD2-CB 3.75Å; Y270-D285 HydrophobicContact CE2-CB 4.26Å; Y270-D285 WeakPolarHBondContact CE2-OD2 3.37Å; Y270-D285 PolarHBondContact OH-OD2 3.41Å; E281-D285 PolarHBondContact O-N 3.27Å; E282-D285 PolarHBondContact O-N 3.27Å; D285-K287 VanDerWaalsContact C-N 3.3Å; D285-K287 PolarHBondContact O-N 3.38Å; D285-K288 PolarHBondContact O-N 3.42Å; D285-M289 VanDerWaalsContact O-CB 3.28Å; D285-M289 WeakPolarHBondContact O-CB 3.22Å; D285-M289 VanDerWaalsContact O-CG 3.25Å; D285-M289 WeakPolarHBondContact O-CG 3.48Å; D285-M289 PolarHBondContact O-N 2.99Å; D285-W325 PolarHBondContact OD1-NE1 3.25Å; D285-T327 VanDerWaalsContact OD2-CA 3.28Å; D285-T327 WeakPolarHBondContact OD2-CA 3.4Å; D285-T327 WeakPolarHBondContact OD2-CB 3.44Å; D285-A328 PolarHBondContact OD1-N 3.11Å; D285-A328 PolarHBondContact OD2-N 3.17Å
286	Q	95.7	Very high	93.9	Very high	38 Å²	38	33.5 Å²	33.5	18%	0.178	15%	0.154	C	C	.	.	H	α-helix	trans	-55.3	-46.3	176.6	-167	-171.4	64	0	0	111.7	E259 L266 E282 R290	E259-Q286 HydrophobicContact CB-CG 4.3Å; E259-Q286 HydrophobicContact CG-CG 4.19Å; L266-Q286 HydrophobicContact CD1-CB 3.52Å; L266-Q286 HydrophobicContact CD1-CG 3.98Å; E282-Q286 WeakPolarHBondContact O-CB 3.4Å; E282-Q286 PolarHBondContact O-N 3.47Å; Q286-R290 VanDerWaalsContact O-CB 3.29Å; Q286-R290 WeakPolarHBondContact O-CB 2.93Å; Q286-R290 PolarHBondContact O-N 2.85Å
287	K	95.6	Very high	94.3	Very high	5 Å²	5	31.7 Å²	31.7	2%	0.022	15%	0.145	C	C	.	.	H	α-helix	trans	-64.5	-46.6	177.5	-173.2	-171.4	68.7	-171.2	0	111.9	D162 Q165 E166 R283 H284 D285 R290 Q291	D162-K287 HydrophobicContact CB-CD 4.28Å; D162-K287 PolarHBondContact O-NZ 3.1Å; Q165-K287 HydrophobicContact CB-CD 4.38Å; E166-K287 WeakPolarHBondContact OE2-CE 3.49Å; E166-K287 IonicContact OE2-NZ 3.72Å; E166-K287 PolarHBondContact OE2-NZ 3.19Å; R283-K287 WeakPolarHBondContact O-CB 3.5Å; R283-K287 PolarHBondContact O-N 3.47Å; R283-K287 VanDerWaalsContact O-N 3.07Å; H284-K287 PolarHBondContact O-N 3.17Å; D285-K287 VanDerWaalsContact C-N 3.3Å; D285-K287 PolarHBondContact O-N 3.38Å; K287-R290 PolarHBondContact O-N 3.38Å; K287-Q291 WeakPolarHBondContact O-CG 3.21Å; K287-Q291 PolarHBondContact O-N 2.94Å
288	K	97.1	Very high	94.7	Very high	61 Å²	61	30.4 Å²	30.4	27%	0.265	14%	0.141	S	C	.	.	H	α-helix	trans	-65.9	-39.9	179.9	-69.1	-65.5	-175.1	-174.7	0	111.8	E166 H284 D285 Q291 K292 W325	E166-K288 IonicContact OE1-NZ 3.09Å; E166-K288 WeakPolarHBondContact OE2-CE 3.35Å; E166-K288 IonicContact OE2-NZ 3.92Å; E166-K288 PolarHBondContact OE2-NZ 2.94Å; H284-K288 WeakPolarHBondContact CE1-CE 3.31Å; H284-K288 WeakPolarHBondContact NE2-CE 3.47Å; H284-K288 VanDerWaalsContact O-CG 3.31Å; H284-K288 WeakPolarHBondContact O-CG 3.47Å; H284-K288 PolarHBondContact O-N 3.48Å; D285-K288 PolarHBondContact O-N 3.42Å; K288-Q291 PolarHBondContact O-N 2.9Å; K288-K292 PolarHBondContact O-N 3Å; K288-W325 HydrophobicContact CB-CH2 3.74Å; K288-W325 HydrophobicContact CB-CZ2 3.78Å
289	M	97	Very high	95	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.4	-44.6	174.7	-72.1	-172.2	83.6	0	0	110.9	I212 P215 L262 E265 L266 D285 K292 F293 W325	I212-M289 HydrophobicContact CG2-CE 4.23Å; P215-M289 HydrophobicContact CB-CB 4.36Å; P215-M289 WeakPolarHBondContact CB-O 3.12Å; P215-M289 HydrophobicContact CG-CB 3.58Å; P215-M289 HydrophobicContact CG-CE 3.76Å; P215-M289 HydrophobicContact CG-CG 3.68Å; P215-M289 WeakPolarHBondContact CG-O 3.39Å; L262-M289 HydrophobicContact CD1-CB 3.96Å; L262-M289 HydrophobicContact CD2-CE 4.42Å; E265-M289 HydrophobicContact CB-CE 4.04Å; E265-M289 HydrophobicContact CG-CE 4.38Å; L266-M289 HydrophobicContact CD2-SD 3.56Å; L266-M289 VanDerWaalsContact CD2-SD 3.56Å; L266-M289 HydrophobicContact CG-SD 4.02Å; D285-M289 VanDerWaalsContact O-CB 3.28Å; D285-M289 WeakPolarHBondContact O-CB 3.22Å; D285-M289 VanDerWaalsContact O-CG 3.25Å; D285-M289 WeakPolarHBondContact O-CG 3.48Å; D285-M289 PolarHBondContact O-N 2.99Å; M289-K292 PolarHBondContact O-N 3.39Å; M289-F293 WeakPolarHBondContact O-CB 3.3Å; M289-F293 PolarHBondContact O-N 3.25Å; M289-W325 HydrophobicContact CG-CD2 3.86Å; M289-W325 HydrophobicContact CG-CE3 4.17Å; M289-W325 HydrophobicContact CG-CG 4.45Å; M289-W325 HydrophobicContact CG-CH2 4.07Å; M289-W325 HydrophobicContact CG-CZ2 3.75Å; M289-W325 HydrophobicContact CG-CZ3 4.26Å; M289-W325 HydrophobicContact SD-CD2 4.38Å; M289-W325 HydrophobicContact SD-CG 4.36Å
290	R	97.2	Very high	95.3	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-46.5	174.7	-174.5	-163.1	69	-122.4	-4.3	111.6	D162 V258 E259 L262 Q286 K287 K292 F293 M294	D162-R290 IonicContact OD1-CZ 3.07Å; D162-R290 IonicContact OD1-NH1 3.59Å; D162-R290 IonicContact OD1-NH2 2.77Å; D162-R290 PolarHBondContact OD1-NH2 2.66Å; D162-R290 IonicContact OD2-CZ 2.86Å; D162-R290 IonicContact OD2-NH2 3.54Å; D162-R290 PolarHBondContact OD2-NH2 3.46Å; V258-R290 HydrophobicContact CG1-CG 3.96Å; E259-R290 HydrophobicContact CG-CB 4.37Å; E259-R290 HydrophobicContact CG-CG 4.23Å; E259-R290 IonicContact OE1-CZ 3.56Å; E259-R290 IonicContact OE1-NH1 3.25Å; E259-R290 PolarHBondContact OE1-NH1 3.22Å; L262-R290 HydrophobicContact CD1-CB 4.14Å; Q286-R290 VanDerWaalsContact O-CB 3.29Å; Q286-R290 WeakPolarHBondContact O-CB 2.93Å; Q286-R290 PolarHBondContact O-N 2.85Å; K287-R290 PolarHBondContact O-N 3.38Å; R290-K292 PolarHBondContact O-N 3.49Å; R290-F293 WeakPolarHBondContact O-CB 3.42Å; R290-F293 PolarHBondContact O-N 3.41Å; R290-M294 HydrophobicContact CG-CE 4.48Å; R290-M294 HydrophobicContact CG-CG 4.29Å; R290-M294 WeakPolarHBondContact O-CB 3.45Å; R290-M294 VanDerWaalsContact O-CG 3.3Å; R290-M294 WeakPolarHBondContact O-CG 3.23Å; R290-M294 PolarHBondContact O-N 3.49Å
291	Q	96.3	Very high	95.5	Very high	53 Å²	53	37.9 Å²	37.9	25%	0.248	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-47.4	177.9	-75.5	176.7	-14.6	0	0	111.3	D162 K287 K288 F293 M294 D295	D162-Q291 PolarHBondContact OD2-NE2 3.06Å; K287-Q291 WeakPolarHBondContact O-CG 3.21Å; K287-Q291 PolarHBondContact O-N 2.94Å; K288-Q291 PolarHBondContact O-N 2.9Å; Q291-F293 VanDerWaalsContact C-N 3.31Å; Q291-F293 PolarHBondContact O-N 3.28Å; Q291-M294 PolarHBondContact O-N 2.88Å; Q291-D295 WeakPolarHBondContact O-CB 3.14Å; Q291-D295 VanDerWaalsContact O-CG 3.25Å; Q291-D295 PolarHBondContact O-N 3.48Å
292	K	95.6	Very high	95.6	Very high	80 Å²	80	39 Å²	39	35%	0.348	20%	0.201	S	C	.	.	H	α-helix	trans	-61.1	-38.9	175.2	-77.4	-146.1	-173.8	-175.1	0	113.2	P215 K288 M289 R290 R296 W325	P215-K292 HydrophobicContact CB-CB 4.36Å; P215-K292 HydrophobicContact CG-CB 4.14Å; K288-K292 PolarHBondContact O-N 3Å; M289-K292 PolarHBondContact O-N 3.39Å; R290-K292 PolarHBondContact O-N 3.49Å; K292-R296 PolarHBondContact O-N 2.83Å; K292-W325 HydrophobicContact CD-CZ3 3.82Å; K292-W325 HydrophobicContact CG-CZ3 4.36Å
293	F	96.1	Very high	95.7	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-49.6	175.6	-174.2	-81.2	0	0	0	110.6	P215 L253 V258 F261 L262 M289 R290 Q291 D295 R296 F297 V305 F310	P215-F293 HydrophobicContact CB-CB 4.16Å; L253-F293 HydrophobicContact CD1-CZ 4.44Å; V258-F293 HydrophobicContact CB-CD1 4.4Å; V258-F293 HydrophobicContact CG1-CB 4.08Å; V258-F293 HydrophobicContact CG1-CD1 3.48Å; V258-F293 VanDerWaalsContact CG1-CD1 3.48Å; V258-F293 HydrophobicContact CG1-CD2 4.49Å; V258-F293 HydrophobicContact CG1-CE1 3.98Å; V258-F293 HydrophobicContact CG1-CG 3.77Å; V258-F293 HydrophobicContact CG2-CD1 3.94Å; V258-F293 HydrophobicContact CG2-CE1 3.69Å; V258-F293 HydrophobicContact CG2-CZ 4.49Å; F261-F293 HydrophobicContact CD1-CE2 4.18Å; F261-F293 HydrophobicContact CE1-CD2 4.32Å; F261-F293 AromaticContact CE1-CE2 3.87Å; F261-F293 HydrophobicContact CE1-CE2 3.87Å; L262-F293 HydrophobicContact CD1-CB 4.25Å; L262-F293 HydrophobicContact CD2-CD2 4.39Å; M289-F293 WeakPolarHBondContact O-CB 3.3Å; M289-F293 PolarHBondContact O-N 3.25Å; R290-F293 WeakPolarHBondContact O-CB 3.42Å; R290-F293 PolarHBondContact O-N 3.41Å; Q291-F293 VanDerWaalsContact C-N 3.31Å; Q291-F293 PolarHBondContact O-N 3.28Å; F293-D295 PolarHBondContact O-N 3.12Å; F293-R296 WeakPolarHBondContact O-CB 3.22Å; F293-R296 PolarHBondContact O-N 3.43Å; F293-R296 VanDerWaalsContact O-N 3.15Å; F293-F297 AromaticContact CD1-CD2 3.71Å; F293-F297 HydrophobicContact CD1-CD2 3.71Å; F293-F297 HydrophobicContact CD1-CE2 4.43Å; F293-F297 AromaticContact CD2-CD2 3.8Å; F293-F297 HydrophobicContact CD2-CD2 3.8Å; F293-F297 AromaticContact CD2-CE2 3.69Å; F293-F297 HydrophobicContact CD2-CE2 3.69Å; F293-F297 HydrophobicContact CE1-CB 4.22Å; F293-F297 AromaticContact CE1-CD2 3.56Å; F293-F297 HydrophobicContact CE1-CD2 3.56Å; F293-F297 HydrophobicContact CE1-CE2 4.19Å; F293-F297 HydrophobicContact CE1-CG 4.14Å; F293-F297 AromaticContact CE2-CD2 3.65Å; F293-F297 HydrophobicContact CE2-CD2 3.65Å; F293-F297 AromaticContact CE2-CE2 3.41Å; F293-F297 HydrophobicContact CE2-CE2 3.41Å; F293-F297 VanDerWaalsContact CE2-CE2 3.41Å; F293-F297 HydrophobicContact CE2-CZ 4.33Å; F293-F297 AromaticContact CG-CD2 3.84Å; F293-F297 HydrophobicContact CG-CD2 3.84Å; F293-F297 HydrophobicContact CG-CE2 4.2Å; F293-F297 AromaticContact CZ-CD2 3.53Å; F293-F297 HydrophobicContact CZ-CD2 3.53Å; F293-F297 AromaticContact CZ-CE2 3.69Å; F293-F297 HydrophobicContact CZ-CE2 3.69Å; F293-F297 HydrophobicContact CZ-CG 4.26Å; F293-F297 VanDerWaalsContact O-CD2 3.28Å; F293-F297 WeakPolarHBondContact O-CD2 3.35Å; F293-F297 PolarHBondContact O-N 2.83Å; F293-V305 HydrophobicContact CE1-CG2 4.22Å; F293-F310 HydrophobicContact CE2-CE2 4.47Å; F293-F310 HydrophobicContact CZ-CD2 4.14Å; F293-F310 AromaticContact CZ-CE2 3.95Å; F293-F310 HydrophobicContact CZ-CE2 3.95Å
294	M	96.2	Very high	95.9	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.064	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-45.7	178.8	-68.3	-60.9	-172.2	0	0	111.6	I255 V258 R290 Q291 R296 F297 D298 V305	I255-M294 HydrophobicContact CG1-CE 3.93Å; V258-M294 HydrophobicContact CB-CE 4.1Å; V258-M294 HydrophobicContact CG1-CE 4.41Å; V258-M294 HydrophobicContact CG2-CE 3.76Å; R290-M294 HydrophobicContact CG-CE 4.48Å; R290-M294 HydrophobicContact CG-CG 4.29Å; R290-M294 WeakPolarHBondContact O-CB 3.45Å; R290-M294 VanDerWaalsContact O-CG 3.3Å; R290-M294 WeakPolarHBondContact O-CG 3.23Å; R290-M294 PolarHBondContact O-N 3.49Å; Q291-M294 PolarHBondContact O-N 2.88Å; M294-R296 PolarHBondContact O-N 3.28Å; M294-F297 PolarHBondContact O-N 3.35Å; M294-F297 VanDerWaalsContact O-N 3.14Å; M294-D298 HydrophobicContact CB-CB 4.44Å; M294-D298 WeakPolarHBondContact O-CA 3.36Å; M294-D298 WeakPolarHBondContact O-CB 3.45Å; M294-D298 PolarHBondContact O-N 2.87Å; M294-D298 HydrophobicContact SD-CB 4.24Å; M294-V305 HydrophobicContact SD-CG2 3.7Å
295	D	94.6	Very high	96	Very high	141 Å²	141	36 Å²	36	75%	0.754	19%	0.188	S	C	*	.	H	α-helix	trans	-56.4	-28.7	177.4	-73.7	-15.2	0	0	0	113.2	Q291 F293	Q291-D295 WeakPolarHBondContact O-CB 3.14Å; Q291-D295 VanDerWaalsContact O-CG 3.25Å; Q291-D295 PolarHBondContact O-N 3.48Å; F293-D295 PolarHBondContact O-N 3.12Å
296	R	94.2	Very high	95.9	Very high	46 Å²	46	37 Å²	37	17%	0.174	20%	0.196	C	C	.	.	H	α-helix	trans	-85.9	-38.9	179.5	-179.5	175.8	176.9	89.2	6.8	112.8	G216 K292 F293 M294 G313 Q316 P317	G216-R296 PolarHBondContact O-NE 3.23Å; K292-R296 PolarHBondContact O-N 2.83Å; F293-R296 WeakPolarHBondContact O-CB 3.22Å; F293-R296 PolarHBondContact O-N 3.43Å; F293-R296 VanDerWaalsContact O-N 3.15Å; M294-R296 PolarHBondContact O-N 3.28Å; R296-G313 PolarHBondContact NH2-O 3.22Å; R296-Q316 PolarHBondContact NH2-O 3.47Å; R296-P317 PolarHBondContact NH1-O 3.04Å
297	F	96.8	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-107.5	-40.4	-168.9	-68.4	-74.5	0	0	0	113.9	F293 M294 T299 V305 E309 F310 G313 V314	F293-F297 AromaticContact CD1-CD2 3.71Å; F293-F297 HydrophobicContact CD1-CD2 3.71Å; F293-F297 HydrophobicContact CD1-CE2 4.43Å; F293-F297 AromaticContact CD2-CD2 3.8Å; F293-F297 HydrophobicContact CD2-CD2 3.8Å; F293-F297 AromaticContact CD2-CE2 3.69Å; F293-F297 HydrophobicContact CD2-CE2 3.69Å; F293-F297 HydrophobicContact CE1-CB 4.22Å; F293-F297 AromaticContact CE1-CD2 3.56Å; F293-F297 HydrophobicContact CE1-CD2 3.56Å; F293-F297 HydrophobicContact CE1-CE2 4.19Å; F293-F297 HydrophobicContact CE1-CG 4.14Å; F293-F297 AromaticContact CE2-CD2 3.65Å; F293-F297 HydrophobicContact CE2-CD2 3.65Å; F293-F297 AromaticContact CE2-CE2 3.41Å; F293-F297 HydrophobicContact CE2-CE2 3.41Å; F293-F297 VanDerWaalsContact CE2-CE2 3.41Å; F293-F297 HydrophobicContact CE2-CZ 4.33Å; F293-F297 AromaticContact CG-CD2 3.84Å; F293-F297 HydrophobicContact CG-CD2 3.84Å; F293-F297 HydrophobicContact CG-CE2 4.2Å; F293-F297 AromaticContact CZ-CD2 3.53Å; F293-F297 HydrophobicContact CZ-CD2 3.53Å; F293-F297 AromaticContact CZ-CE2 3.69Å; F293-F297 HydrophobicContact CZ-CE2 3.69Å; F293-F297 HydrophobicContact CZ-CG 4.26Å; F293-F297 VanDerWaalsContact O-CD2 3.28Å; F293-F297 WeakPolarHBondContact O-CD2 3.35Å; F293-F297 PolarHBondContact O-N 2.83Å; M294-F297 PolarHBondContact O-N 3.35Å; M294-F297 VanDerWaalsContact O-N 3.14Å; F297-T299 PolarHBondContact O-N 3.28Å; F297-V305 HydrophobicContact CB-CB 4.48Å; F297-V305 HydrophobicContact CB-CG1 3.7Å; F297-V305 HydrophobicContact CB-CG2 3.89Å; F297-E309 VanDerWaalsContact O-CB 3.28Å; F297-E309 WeakPolarHBondContact O-CB 3.41Å; F297-F310 HydrophobicContact CD1-CD2 4.04Å; F297-F310 AromaticContact CE1-CD2 3.92Å; F297-F310 HydrophobicContact CE1-CD2 3.92Å; F297-F310 HydrophobicContact CE1-CE2 4.24Å; F297-F310 HydrophobicContact CE1-CG 4.45Å; F297-F310 WeakPolarHBondContact CE1-O 3.29Å; F297-F310 HydrophobicContact CG-CD2 4.49Å; F297-F310 HydrophobicContact CZ-CD2 4.32Å; F297-F310 HydrophobicContact CZ-CE2 4.23Å; F297-G313 VanDerWaalsContact CE1-C 3.48Å; F297-V314 HydrophobicContact CE1-CG2 3.93Å; F297-V314 HydrophobicContact CZ-CG2 4.27Å
298	D	97.4	Very high	95.9	Very high	16 Å²	16	44.9 Å²	44.9	9%	0.086	23%	0.23	C	C	.	.			trans	-77	88.8	176.7	176.8	12.8	0	0	0	109.8	M294 D300 G301 N302 Y303 V305	M294-D298 HydrophobicContact CB-CB 4.44Å; M294-D298 WeakPolarHBondContact O-CA 3.36Å; M294-D298 WeakPolarHBondContact O-CB 3.45Å; M294-D298 PolarHBondContact O-N 2.87Å; M294-D298 HydrophobicContact SD-CB 4.24Å; D298-D300 VanDerWaalsContact OD1-OD1 3.08Å; D298-G301 WeakPolarHBondContact OD1-CA 3.45Å; D298-G301 PolarHBondContact OD1-N 3.22Å; D298-G301 WeakPolarHBondContact OD2-CA 3.15Å; D298-N302 PolarHBondContact OD1-N 2.99Å; D298-N302 PolarHBondContact OD2-N 3.37Å; D298-Y303 VanDerWaalsContact OD2-CA 3.29Å; D298-Y303 WeakPolarHBondContact OD2-CA 3.31Å; D298-Y303 PolarHBondContact OD2-N 3.23Å; D298-V305 HydrophobicContact CB-CG2 4.09Å
299	T	96.3	Very high	96	Very high	88 Å²	88	42.2 Å²	42.2	54%	0.54	22%	0.219	S	C	.	.	S	Bend	trans	-83.4	-20	-172.5	58	0	0	0	0	113.6	F297 E309 R312	F297-T299 PolarHBondContact O-N 3.28Å; T299-E309 PolarHBondContact N-OE1 3.38Å; T299-E309 WeakPolarHBondContact OG1-CG 3.45Å; T299-E309 PolarHBondContact OG1-OE1 3.35Å; T299-R312 PolarHBondContact OG1-NH1 3.47Å
300	D	95.1	Very high	96	Very high	104 Å²	104	42.2 Å²	42.2	56%	0.556	22%	0.219	S	C	*	.	S	Bend	trans	-98.2	-8.4	177	73.9	8.2	0	0	0	113.3	D298 N302 E309	D298-D300 VanDerWaalsContact OD1-OD1 3.08Å; D300-N302 VanDerWaalsContact C-N 3.34Å; D300-N302 WeakPolarHBondContact OD1-CB 3.4Å; D300-N302 PolarHBondContact OD1-N 3.48Å; D300-N302 VanDerWaalsContact OD1-N 3.09Å; D300-N302 PolarHBondContact OD1-ND2 2.86Å; D300-N302 PolarHBondContact OD1-OD1 3.25Å; D300-N302 PolarHBondContact OD2-ND2 2.88Å; D300-E309 PolarHBondContact N-OE1 2.89Å
301	G	95.1	Very high	95.9	Very high	37 Å²	37	43 Å²	43	38%	0.381	22%	0.224	S	C	.	.			trans	73.9	25.4	173.5	0	0	0	0	0	113.2	D298 Y303	D298-G301 WeakPolarHBondContact OD1-CA 3.45Å; D298-G301 PolarHBondContact OD1-N 3.22Å; D298-G301 WeakPolarHBondContact OD2-CA 3.15Å; G301-Y303 VanDerWaalsContact C-N 3.33Å
302	N	94.1	Very high	95.9	Very high	30 Å²	30	46.7 Å²	46.7	16%	0.16	24%	0.235	C	C	.	.	S	Bend	trans	-88.2	1.1	-177.3	75.6	22.6	0	0	0	113.4	V155 D298 D300 L304	V155-N302 WeakPolarHBondContact CG2-O 3.46Å; D298-N302 PolarHBondContact OD1-N 2.99Å; D298-N302 PolarHBondContact OD2-N 3.37Å; D300-N302 VanDerWaalsContact C-N 3.34Å; D300-N302 WeakPolarHBondContact OD1-CB 3.4Å; D300-N302 PolarHBondContact OD1-N 3.48Å; D300-N302 VanDerWaalsContact OD1-N 3.09Å; D300-N302 PolarHBondContact OD1-ND2 2.86Å; D300-N302 PolarHBondContact OD1-OD1 3.25Å; D300-N302 PolarHBondContact OD2-ND2 2.88Å; N302-L304 VanDerWaalsContact C-N 3.27Å; N302-L304 PolarHBondContact O-N 3.42Å; N302-L304 VanDerWaalsContact OD1-CA 3.31Å; N302-L304 WeakPolarHBondContact OD1-CA 3.48Å; N302-L304 VanDerWaalsContact OD1-CB 3.26Å; N302-L304 WeakPolarHBondContact OD1-CB 3.39Å; N302-L304 PolarHBondContact OD1-N 3.01Å; N302-L304 PolarHBondContact OD1-O 3.44Å
303	Y	95.3	Very high	95.8	Very high	32 Å²	32	43.2 Å²	43.2	13%	0.125	22%	0.222	C	C	.	.	S	Bend	trans	67.9	18.8	-177.6	-84.1	-140.4	0	0	0	115.1	V155 L158 K159 I255 D298 G301	V155-Y303 HydrophobicContact CB-CG 4.49Å; V155-Y303 HydrophobicContact CG1-CD1 4.3Å; V155-Y303 HydrophobicContact CG1-CD2 3.5Å; V155-Y303 HydrophobicContact CG1-CE2 3.79Å; V155-Y303 HydrophobicContact CG1-CG 3.83Å; V155-Y303 HydrophobicContact CG2-CD2 4.47Å; V155-Y303 HydrophobicContact CG2-CG 4.17Å; L158-Y303 HydrophobicContact CB-CD1 3.92Å; L158-Y303 HydrophobicContact CB-CE1 3.79Å; L158-Y303 HydrophobicContact CD1-CD1 3.92Å; K159-Y303 HydrophobicContact CD-CE2 4.43Å; K159-Y303 WeakPolarHBondContact CE-OH 3.31Å; K159-Y303 HydrophobicContact CG-CE1 4.27Å; K159-Y303 HydrophobicContact CG-CE2 4.22Å; K159-Y303 WeakPolarHBondContact CG-OH 3.37Å; I255-Y303 HydrophobicContact CD1-CD1 3.58Å; I255-Y303 HydrophobicContact CD1-CE1 4.13Å; I255-Y303 HydrophobicContact CG1-CD1 4.46Å; D298-Y303 VanDerWaalsContact OD2-CA 3.29Å; D298-Y303 WeakPolarHBondContact OD2-CA 3.31Å; D298-Y303 PolarHBondContact OD2-N 3.23Å; G301-Y303 VanDerWaalsContact C-N 3.33Å
304	L	95.9	Very high	95.7	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	22%	0.222	C	C	.	.			trans	-133.4	126.4	173.7	-60.3	171.8	0	0	0	108.7	L119 I120 H123 Y252 N254 N302 S306	L119-L304 HydrophobicContact CD2-CD2 4.36Å; L119-L304 HydrophobicContact CD2-CG 4.23Å; L119-L304 HydrophobicContact CG-CD1 4.46Å; I120-L304 HydrophobicContact CG1-CD2 4.29Å; H123-L304 HydrophobicContact CB-CD1 3.88Å; Y252-L304 HydrophobicContact CD1-CB 4.11Å; Y252-L304 HydrophobicContact CG-CB 4.48Å; N254-L304 HydrophobicContact CB-CD2 3.74Å; N302-L304 VanDerWaalsContact C-N 3.27Å; N302-L304 PolarHBondContact O-N 3.42Å; N302-L304 VanDerWaalsContact OD1-CA 3.31Å; N302-L304 WeakPolarHBondContact OD1-CA 3.48Å; N302-L304 VanDerWaalsContact OD1-CB 3.26Å; N302-L304 WeakPolarHBondContact OD1-CB 3.39Å; N302-L304 PolarHBondContact OD1-N 3.01Å; N302-L304 PolarHBondContact OD1-O 3.44Å; L304-S306 PolarHBondContact O-N 3.32Å
305	V	96.8	Very high	95.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	109.2	177	178.3	0	0	0	0	109.3	Y252 L253 F293 M294 F297 D298 E309 F310	Y252-V305 CarbonylContact C-O 3.55Å; Y252-V305 WeakPolarHBondContact CA-O 3.46Å; L253-V305 HydrophobicContact CB-CB 4.13Å; L253-V305 HydrophobicContact CG-CB 4.49Å; L253-V305 PolarHBondContact N-O 3.1Å; L253-V305 PolarHBondContact O-N 2.91Å; F293-V305 HydrophobicContact CE1-CG2 4.22Å; M294-V305 HydrophobicContact SD-CG2 3.7Å; F297-V305 HydrophobicContact CB-CB 4.48Å; F297-V305 HydrophobicContact CB-CG1 3.7Å; F297-V305 HydrophobicContact CB-CG2 3.89Å; D298-V305 HydrophobicContact CB-CG2 4.09Å; V305-E309 HydrophobicContact CG1-CB 4.17Å; V305-F310 HydrophobicContact CG1-CB 3.93Å
306	S	96.2	Very high	95.1	Very high	25 Å²	25	47.7 Å²	47.7	18%	0.175	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	156.5	173.4	66.7	0	0	0	0	111.9	L304 D308 E309 F310	L304-S306 PolarHBondContact O-N 3.32Å; S306-D308 VanDerWaalsContact C-N 3.25Å; S306-D308 PolarHBondContact O-N 3.26Å; S306-E309 WeakPolarHBondContact CB-OE2 3.33Å; S306-E309 PolarHBondContact N-OE2 2.97Å; S306-E309 WeakPolarHBondContact O-CB 3.42Å; S306-E309 PolarHBondContact O-N 3.39Å; S306-E309 VanDerWaalsContact O-N 3.1Å; S306-E309 WeakPolarHBondContact OG-CB 3.42Å; S306-E309 WeakPolarHBondContact OG-CG 3.37Å; S306-E309 PolarHBondContact OG-N 2.97Å; S306-E309 PolarHBondContact OG-OE2 2.92Å; S306-F310 PolarHBondContact O-N 2.9Å
307	R	95.3	Very high	94.8	Very high	118 Å²	118	50.6 Å²	50.6	45%	0.445	27%	0.267	S	S	.	.	H	α-helix	trans	-51.3	-44.3	173.7	-169.9	-171.8	66.9	-119.7	-10	113.1	F242 G251 E309 F310 L311	F242-R307 HydrophobicContact CD1-CB 4.06Å; F242-R307 HydrophobicContact CD1-CG 3.81Å; F242-R307 HydrophobicContact CD2-CB 4.38Å; F242-R307 HydrophobicContact CD2-CG 4.34Å; F242-R307 HydrophobicContact CE1-CB 3.75Å; F242-R307 HydrophobicContact CE1-CG 4.03Å; F242-R307 HydrophobicContact CE2-CB 4.05Å; F242-R307 HydrophobicContact CE2-CG 4.49Å; F242-R307 HydrophobicContact CG-CB 4.38Å; F242-R307 HydrophobicContact CG-CG 3.99Å; F242-R307 HydrophobicContact CZ-CB 3.74Å; F242-R307 HydrophobicContact CZ-CG 4.37Å; G251-R307 PolarHBondContact O-N 3.44Å; R307-E309 VanDerWaalsContact C-N 3.3Å; R307-E309 PolarHBondContact O-N 3.4Å; R307-F310 PolarHBondContact O-N 2.94Å; R307-L311 HydrophobicContact CG-CD1 4.1Å; R307-L311 HydrophobicContact CG-CG 4.42Å; R307-L311 WeakPolarHBondContact O-CG 3.43Å; R307-L311 PolarHBondContact O-N 3.48Å
308	D	96.4	Very high	94.4	Very high	90 Å²	90	53.4 Å²	53.4	48%	0.481	28%	0.278	S	S	.	.	H	α-helix	trans	-71.4	-28.8	-176.4	-68.7	-10.5	0	0	0	112.3	S306 R312	S306-D308 VanDerWaalsContact C-N 3.25Å; S306-D308 PolarHBondContact O-N 3.26Å; D308-R312 WeakPolarHBondContact O-CB 3.34Å; D308-R312 VanDerWaalsContact O-CG 3.3Å; D308-R312 WeakPolarHBondContact O-CG 3.38Å; D308-R312 PolarHBondContact O-N 3.03Å; D308-R312 PolarHBondContact O-NE 3.15Å
309	E	97.5	Very high	93.7	Very high	6 Å²	6	55.1 Å²	55.1	3%	0.028	29%	0.29	C	S	.	.	H	α-helix	trans	-67.8	-50	170	-82.4	174.7	135.2	0	0	112.2	F297 T299 D300 V305 S306 R307 L311 R312 G313	F297-E309 VanDerWaalsContact O-CB 3.28Å; F297-E309 WeakPolarHBondContact O-CB 3.41Å; T299-E309 PolarHBondContact N-OE1 3.38Å; T299-E309 WeakPolarHBondContact OG1-CG 3.45Å; T299-E309 PolarHBondContact OG1-OE1 3.35Å; D300-E309 PolarHBondContact N-OE1 2.89Å; V305-E309 HydrophobicContact CG1-CB 4.17Å; S306-E309 WeakPolarHBondContact CB-OE2 3.33Å; S306-E309 PolarHBondContact N-OE2 2.97Å; S306-E309 WeakPolarHBondContact O-CB 3.42Å; S306-E309 PolarHBondContact O-N 3.39Å; S306-E309 VanDerWaalsContact O-N 3.1Å; S306-E309 WeakPolarHBondContact OG-CB 3.42Å; S306-E309 WeakPolarHBondContact OG-CG 3.37Å; S306-E309 PolarHBondContact OG-N 2.97Å; S306-E309 PolarHBondContact OG-OE2 2.92Å; R307-E309 VanDerWaalsContact C-N 3.3Å; R307-E309 PolarHBondContact O-N 3.4Å; E309-L311 PolarHBondContact O-N 3.1Å; E309-R312 PolarHBondContact O-N 3.36Å; E309-G313 PolarHBondContact O-N 2.87Å
310	F	97	Very high	92.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-53.6	-54	176	-176.2	-97.8	0	0	0	111	L221 S238 L241 F242 L253 F293 F297 V305 S306 R307 R312 G313 V314	L221-F310 HydrophobicContact CD2-CE2 4.35Å; L221-F310 HydrophobicContact CD2-CZ 4.07Å; S238-F310 WeakPolarHBondContact O-CE1 3.21Å; L241-F310 HydrophobicContact CD2-CZ 4.22Å; L241-F310 HydrophobicContact CG-CZ 4.44Å; F242-F310 HydrophobicContact CB-CD1 3.92Å; F242-F310 HydrophobicContact CB-CE1 4.13Å; F242-F310 HydrophobicContact CD2-CB 3.55Å; F242-F310 AromaticContact CD2-CD1 3.8Å; F242-F310 HydrophobicContact CD2-CD1 3.8Å; F242-F310 HydrophobicContact CD2-CD2 4.34Å; F242-F310 AromaticContact CD2-CG 3.64Å; F242-F310 HydrophobicContact CD2-CG 3.64Å; F242-F310 HydrophobicContact CE2-CB 3.9Å; F242-F310 HydrophobicContact CE2-CG 4.39Å; F242-F310 HydrophobicContact CG-CD1 4.35Å; L253-F310 HydrophobicContact CD1-CD2 4.02Å; L253-F310 HydrophobicContact CD1-CE2 4.36Å; F293-F310 HydrophobicContact CE2-CE2 4.47Å; F293-F310 HydrophobicContact CZ-CD2 4.14Å; F293-F310 AromaticContact CZ-CE2 3.95Å; F293-F310 HydrophobicContact CZ-CE2 3.95Å; F297-F310 HydrophobicContact CD1-CD2 4.04Å; F297-F310 AromaticContact CE1-CD2 3.92Å; F297-F310 HydrophobicContact CE1-CD2 3.92Å; F297-F310 HydrophobicContact CE1-CE2 4.24Å; F297-F310 HydrophobicContact CE1-CG 4.45Å; F297-F310 WeakPolarHBondContact CE1-O 3.29Å; F297-F310 HydrophobicContact CG-CD2 4.49Å; F297-F310 HydrophobicContact CZ-CD2 4.32Å; F297-F310 HydrophobicContact CZ-CE2 4.23Å; V305-F310 HydrophobicContact CG1-CB 3.93Å; S306-F310 PolarHBondContact O-N 2.9Å; R307-F310 PolarHBondContact O-N 2.94Å; F310-R312 VanDerWaalsContact C-N 3.29Å; F310-R312 PolarHBondContact O-N 2.92Å; F310-G313 PolarHBondContact O-N 2.64Å; F310-G313 VanDerWaalsContact O-N 3.08Å; F310-V314 HydrophobicContact CD1-CG2 3.97Å; F310-V314 HydrophobicContact CE1-CG2 3.63Å; F310-V314 HydrophobicContact CE2-CG2 4.33Å; F310-V314 HydrophobicContact CG-CG2 4.46Å; F310-V314 HydrophobicContact CZ-CG2 3.84Å; F310-V314 WeakPolarHBondContact O-CG2 3.45Å; F310-V314 PolarHBondContact O-N 2.95Å
311	L	95.8	Very high	91.1	Very high	21 Å²	21	60 Å²	60	11%	0.11	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-36.6	-179.3	-64.3	175	0	0	0	112.7	S238 R239 R307 E309 N315	S238-L311 WeakPolarHBondContact OG-CD2 3.49Å; R239-L311 HydrophobicContact CB-CD2 4.41Å; R239-L311 HydrophobicContact CG-CD1 3.82Å; R239-L311 HydrophobicContact CG-CD2 3.65Å; R239-L311 HydrophobicContact CG-CG 4.38Å; R307-L311 HydrophobicContact CG-CD1 4.1Å; R307-L311 HydrophobicContact CG-CG 4.42Å; R307-L311 WeakPolarHBondContact O-CG 3.43Å; R307-L311 PolarHBondContact O-N 3.48Å; E309-L311 PolarHBondContact O-N 3.1Å; L311-N315 PolarHBondContact O-ND2 2.96Å
312	R	95.6	Very high	89.7	Confident	130 Å²	130	62 Å²	62	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-66.2	-46.5	173.9	-81.8	-178.2	-73	131	-9.9	111.1	T299 D308 E309 F310 V314 N315 Q316	T299-R312 PolarHBondContact OG1-NH1 3.47Å; D308-R312 WeakPolarHBondContact O-CB 3.34Å; D308-R312 VanDerWaalsContact O-CG 3.3Å; D308-R312 WeakPolarHBondContact O-CG 3.38Å; D308-R312 PolarHBondContact O-N 3.03Å; D308-R312 PolarHBondContact O-NE 3.15Å; E309-R312 PolarHBondContact O-N 3.36Å; F310-R312 VanDerWaalsContact C-N 3.29Å; F310-R312 PolarHBondContact O-N 2.92Å; R312-V314 VanDerWaalsContact C-N 3.34Å; R312-V314 PolarHBondContact O-N 3.4Å; R312-N315 PolarHBondContact O-N 3.35Å; R312-Q316 PolarHBondContact O-N 3.05Å
313	G	94.4	Very high	89	Confident	6 Å²	6	69.8 Å²	69.8	6%	0.062	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-34.4	-179.1	0	0	0	0	0	113.5	R296 F297 E309 F310 N315 Q316	R296-G313 PolarHBondContact NH2-O 3.22Å; F297-G313 VanDerWaalsContact CE1-C 3.48Å; E309-G313 PolarHBondContact O-N 2.87Å; F310-G313 PolarHBondContact O-N 2.64Å; F310-G313 VanDerWaalsContact O-N 3.08Å; G313-N315 VanDerWaalsContact C-N 3.27Å; G313-N315 PolarHBondContact O-N 3.41Å; G313-Q316 PolarHBondContact O-N 3.04Å
314	V	93	Very high	88.8	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-37.4	175.6	173.6	0	0	0	0	110.7	Q218 L221 F236 F297 F310 R312 Q316	Q218-V314 PolarHBondContact NE2-O 2.92Å; L221-V314 HydrophobicContact CD1-CB 4.49Å; L221-V314 HydrophobicContact CD1-CG1 4.25Å; L221-V314 HydrophobicContact CD1-CG2 3.67Å; F236-V314 HydrophobicContact CE1-CG1 4.15Å; F236-V314 HydrophobicContact CZ-CG1 4.26Å; F297-V314 HydrophobicContact CE1-CG2 3.93Å; F297-V314 HydrophobicContact CZ-CG2 4.27Å; F310-V314 HydrophobicContact CD1-CG2 3.97Å; F310-V314 HydrophobicContact CE1-CG2 3.63Å; F310-V314 HydrophobicContact CE2-CG2 4.33Å; F310-V314 HydrophobicContact CG-CG2 4.46Å; F310-V314 HydrophobicContact CZ-CG2 3.84Å; F310-V314 WeakPolarHBondContact O-CG2 3.45Å; F310-V314 PolarHBondContact O-N 2.95Å; R312-V314 VanDerWaalsContact C-N 3.34Å; R312-V314 PolarHBondContact O-N 3.4Å; V314-Q316 VanDerWaalsContact C-N 3.3Å; V314-Q316 PolarHBondContact O-N 3.24Å
315	N	89.6	Confident	88.7	Confident	126 Å²	126	72.6 Å²	72.6	67%	0.674	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-10.1	-179.3	-70.6	-53.3	0	0	0	114	L311 R312 G313	L311-N315 PolarHBondContact O-ND2 2.96Å; R312-N315 PolarHBondContact O-N 3.35Å; G313-N315 VanDerWaalsContact C-N 3.27Å; G313-N315 PolarHBondContact O-N 3.41Å
316	Q	90	Very high	88.5	Confident	122 Å²	122	77.2 Å²	77.2	57%	0.57	38%	0.376	S	S	*	.	S	Bend	trans	-79.5	142.8	174.7	-66	-62	-34.2	0	0	110.4	R296 R312 G313 V314	R296-Q316 PolarHBondContact NH2-O 3.47Å; R312-Q316 PolarHBondContact O-N 3.05Å; G313-Q316 PolarHBondContact O-N 3.04Å; V314-Q316 VanDerWaalsContact C-N 3.3Å; V314-Q316 PolarHBondContact O-N 3.24Å
317	P	87.8	Confident	88.5	Confident	107 Å²	107	76 Å²	76	70%	0.695	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-56.7	141.6	170.9	-25	34.8	0	0	0	112	R296	R296-P317 PolarHBondContact NH1-O 3.04Å
318	Y	88.5	Confident	88.6	Confident	59 Å²	59	70.4 Å²	70.4	23%	0.231	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-79.1	135.2	167.6	-157.5	-89.9	0	0	0	109.1	Q214 P215 S320	Q214-Y318 HydrophobicContact CB-CD1 4.5Å; Q214-Y318 HydrophobicContact CB-CE1 3.58Å; Q214-Y318 HydrophobicContact CB-CE2 4.37Å; Q214-Y318 WeakPolarHBondContact CB-OH 3.26Å; Q214-Y318 HydrophobicContact CG-CE1 3.88Å; Q214-Y318 PolarHBondContact OE1-OH 3.41Å; P215-Y318 VanDerWaalsContact O-CE2 3.27Å; P215-Y318 WeakPolarHBondContact O-CE2 3.5Å; Y318-S320 PolarHBondContact O-N 3.43Å
319	P	81.6	Confident	88.5	Confident	51 Å²	51	66.6 Å²	66.6	33%	0.331	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-59.1	125.2	178.6	-20	30.2	0	0	0	111.6	Y321	P319-Y321 VanDerWaalsContact C-N 3.26Å; P319-Y321 HydrophobicContact CB-CD1 4.32Å; P319-Y321 HydrophobicContact CB-CD2 4.4Å; P319-Y321 HydrophobicContact CB-CE1 3.59Å; P319-Y321 HydrophobicContact CB-CE2 3.68Å; P319-Y321 VanDerWaalsContact CB-OH 3.27Å; P319-Y321 WeakPolarHBondContact CB-OH 3.44Å; P319-Y321 PolarHBondContact O-N 3.15Å; P319-Y321 VanDerWaalsContact O-N 3.16Å
320	S	67.9	Low	88.4	Confident	109 Å²	109	67.3 Å²	67.3	76%	0.762	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.6	-164.3	172.9	0	0	0	0	115.8	Y318	Y318-S320 PolarHBondContact O-N 3.43Å
321	Y	70.1	Confident	88.2	Confident	185 Å²	185	72.5 Å²	72.5	73%	0.725	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-26.6	-165.9	21.4	-88.4	0	0	0	113.7	P319	P319-Y321 VanDerWaalsContact C-N 3.26Å; P319-Y321 HydrophobicContact CB-CD1 4.32Å; P319-Y321 HydrophobicContact CB-CD2 4.4Å; P319-Y321 HydrophobicContact CB-CE1 3.59Å; P319-Y321 HydrophobicContact CB-CE2 3.68Å; P319-Y321 VanDerWaalsContact CB-OH 3.27Å; P319-Y321 WeakPolarHBondContact CB-OH 3.44Å; P319-Y321 PolarHBondContact O-N 3.15Å; P319-Y321 VanDerWaalsContact O-N 3.16Å
322	D	65.8	Low	88.1	Confident	80 Å²	80	71.7 Å²	71.7	43%	0.428	35%	0.35	S	S	.	.			trans	-125.8	108.5	178.5	-58.5	-39.8	0	0	0	108.9	Q214	Q214-D322 HydrophobicContact CG-CB 4.48Å; Q214-D322 WeakPolarHBondContact CG-O 3.38Å
323	R	78.6	Confident	88	Confident	193 Å²	193	66 Å²	66	73%	0.728	33%	0.329	S	S	*	.	S	Bend	trans	-80	-41.3	176.5	-78.4	-160.7	-69.1	-130	-3.3	112.4
324	D	90.5	Very high	88	Confident	68 Å²	68	70.8 Å²	70.8	36%	0.364	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-113.3	149.5	-173.1	-56.1	-34.1	0	0	0	109.4	I212 Q214	I212-D324 CarbonylContact O-C 3.21Å; I212-D324 VanDerWaalsContact O-CA 3.29Å; I212-D324 WeakPolarHBondContact O-CA 3.39Å; Q214-D324 PolarHBondContact NE2-O 3.18Å
325	W	94.5	Very high	88.1	Confident	27 Å²	27	72 Å²	72	10%	0.102	36%	0.356	C	S	.	.			trans	-73.6	134.7	173	-176.7	-103.2	0	0	0	110	I212 P215 D285 K288 M289 K292	I212-W325 HydrophobicContact CB-CB 4.03Å; I212-W325 HydrophobicContact CG2-CB 3.68Å; I212-W325 HydrophobicContact CG2-CG 4.31Å; I212-W325 PolarHBondContact O-N 3.36Å; P215-W325 HydrophobicContact CG-CE3 4.28Å; P215-W325 HydrophobicContact CG-CZ3 4.32Å; D285-W325 PolarHBondContact OD1-NE1 3.25Å; K288-W325 HydrophobicContact CB-CH2 3.74Å; K288-W325 HydrophobicContact CB-CZ2 3.78Å; M289-W325 HydrophobicContact CG-CD2 3.86Å; M289-W325 HydrophobicContact CG-CE3 4.17Å; M289-W325 HydrophobicContact CG-CG 4.45Å; M289-W325 HydrophobicContact CG-CH2 4.07Å; M289-W325 HydrophobicContact CG-CZ2 3.75Å; M289-W325 HydrophobicContact CG-CZ3 4.26Å; M289-W325 HydrophobicContact SD-CD2 4.38Å; M289-W325 HydrophobicContact SD-CG 4.36Å; K292-W325 HydrophobicContact CD-CZ3 3.82Å; K292-W325 HydrophobicContact CG-CZ3 4.36Å
326	M	93.3	Very high	88.2	Confident	96 Å²	96	67.5 Å²	67.5	47%	0.473	33%	0.33	S	S	.	.			trans	-99	113.7	171.8	-168.2	138.9	-145.6	0	0	107.9	N330 E331 M334	M326-N330 HydrophobicContact CE-CB 3.59Å; M326-N330 HydrophobicContact CG-CB 3.89Å; M326-E331 HydrophobicContact CG-CG 4.46Å; M326-M334 HydrophobicContact CE-CE 3.78Å; M326-M334 HydrophobicContact CE-SD 4.09Å; M326-M334 HydrophobicContact SD-CE 4.19Å
327	T	95.9	Very high	88.3	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.313	C	S	.	.			trans	-75	159.1	-175.2	58.6	0	0	0	0	111.8	I212 V269 D285 Q329 N330 E331	I212-T327 HydrophobicContact CD1-CG2 3.28Å; V269-T327 HydrophobicContact CG1-CG2 4.36Å; V269-T327 HydrophobicContact CG2-CG2 4.44Å; D285-T327 VanDerWaalsContact OD2-CA 3.28Å; D285-T327 WeakPolarHBondContact OD2-CA 3.4Å; D285-T327 WeakPolarHBondContact OD2-CB 3.44Å; T327-Q329 PolarHBondContact O-N 2.83Å; T327-N330 PolarHBondContact N-OD1 3.36Å; T327-N330 WeakPolarHBondContact O-CB 3.37Å; T327-N330 PolarHBondContact O-N 2.84Å; T327-N330 PolarHBondContact OG1-N 3.16Å; T327-N330 VanDerWaalsContact OG1-N 3.14Å; T327-N330 PolarHBondContact OG1-ND2 3.34Å; T327-N330 PolarHBondContact OG1-OD1 3.11Å; T327-E331 PolarHBondContact O-N 3.34Å; T327-E331 VanDerWaalsContact O-N 3.13Å
328	A	96.2	Very high	88.7	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-48.4	-47.6	166.5	0	0	0	0	0	111.2	Y169 E281 D285 N330 E331 E332	Y169-A328 VanDerWaalsContact OH-CB 3.26Å; Y169-A328 WeakPolarHBondContact OH-CB 3.46Å; E281-A328 HydrophobicContact CB-CB 3.79Å; E281-A328 HydrophobicContact CG-CB 4.06Å; D285-A328 PolarHBondContact OD1-N 3.11Å; D285-A328 PolarHBondContact OD2-N 3.17Å; A328-N330 VanDerWaalsContact C-N 3.3Å; A328-N330 PolarHBondContact O-N 3.19Å; A328-E331 WeakPolarHBondContact O-CB 3.48Å; A328-E331 PolarHBondContact O-N 3.43Å; A328-E332 WeakPolarHBondContact O-CG 3.29Å; A328-E332 PolarHBondContact O-N 3.48Å
329	Q	94.8	Very high	89	Confident	10 Å²	10	62 Å²	62	5%	0.047	30%	0.302	C	S	.	.	H	α-helix	trans	-55.8	-41.3	176.8	-172.5	172.2	84.1	0	0	112.8	H206 Y270 E281 T327 E332 D333	H206-Q329 HydrophobicContact CB-CG 4.23Å; H206-Q329 VanDerWaalsContact CB-OE1 3.31Å; H206-Q329 VanDerWaalsContact CD2-CD 3.44Å; H206-Q329 PolarHBondContact CD2-OE1 3.01Å; H206-Q329 VanDerWaalsContact CD2-OE1 3.29Å; H206-Q329 WeakPolarHBondContact ND1-CG 3.4Å; H206-Q329 PolarHBondContact NE2-NE2 3.14Å; Y270-Q329 HydrophobicContact CE1-CB 4.27Å; Y270-Q329 PolarHBondContact OH-N 3.14Å; E281-Q329 WeakPolarHBondContact OE2-CB 3.36Å; T327-Q329 PolarHBondContact O-N 2.83Å; Q329-E332 PolarHBondContact O-N 2.64Å; Q329-D333 WeakPolarHBondContact O-CB 3.4Å; Q329-D333 VanDerWaalsContact O-CG 3.3Å; Q329-D333 PolarHBondContact O-N 2.75Å
330	N	94.5	Very high	89.6	Confident	21 Å²	21	67.2 Å²	67.2	11%	0.112	32%	0.322	C	S	.	.	H	α-helix	trans	-66.3	-39.7	177.3	-56.2	144.4	0	0	0	112.4	M326 T327 A328 M334	M326-N330 HydrophobicContact CE-CB 3.59Å; M326-N330 HydrophobicContact CG-CB 3.89Å; T327-N330 PolarHBondContact N-OD1 3.36Å; T327-N330 WeakPolarHBondContact O-CB 3.37Å; T327-N330 PolarHBondContact O-N 2.84Å; T327-N330 PolarHBondContact OG1-N 3.16Å; T327-N330 VanDerWaalsContact OG1-N 3.14Å; T327-N330 PolarHBondContact OG1-ND2 3.34Å; T327-N330 PolarHBondContact OG1-OD1 3.11Å; A328-N330 VanDerWaalsContact C-N 3.3Å; A328-N330 PolarHBondContact O-N 3.19Å; N330-M334 WeakPolarHBondContact O-CG 3.17Å; N330-M334 PolarHBondContact O-N 3.4Å; N330-M334 VanDerWaalsContact O-N 3.16Å
331	E	94	Very high	90.9	Very high	108 Å²	108	64 Å²	64	51%	0.505	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-41.8	175.8	-65.4	-171.6	-179	0	0	111.8	M326 T327 A328 M334 F335	M326-E331 HydrophobicContact CG-CG 4.46Å; T327-E331 PolarHBondContact O-N 3.34Å; T327-E331 VanDerWaalsContact O-N 3.13Å; A328-E331 WeakPolarHBondContact O-CB 3.48Å; A328-E331 PolarHBondContact O-N 3.43Å; E331-M334 HydrophobicContact CB-CE 4.47Å; E331-M334 HydrophobicContact CG-CE 4.31Å; E331-M334 PolarHBondContact O-N 2.92Å; E331-F335 PolarHBondContact O-N 2.69Å
332	E	93.3	Very high	92.1	Very high	5 Å²	5	55.1 Å²	55.1	2%	0.023	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-44.8	176.3	-69.9	-138.3	-175.8	0	0	112.3	V173 E281 A328 Q329 M334 F335 K336	V173-E332 WeakPolarHBondContact CG2-OE1 3.46Å; E281-E332 VanDerWaalsContact OE1-CD 3.23Å; A328-E332 WeakPolarHBondContact O-CG 3.29Å; A328-E332 PolarHBondContact O-N 3.48Å; Q329-E332 PolarHBondContact O-N 2.64Å; E332-M334 VanDerWaalsContact C-N 3.3Å; E332-M334 PolarHBondContact O-N 3.27Å; E332-F335 WeakPolarHBondContact O-CB 3.25Å; E332-F335 PolarHBondContact O-N 3.4Å; E332-F335 VanDerWaalsContact O-N 3.11Å; E332-K336 HydrophobicContact CB-CD 4.46Å; E332-K336 WeakPolarHBondContact O-CB 3.4Å; E332-K336 VanDerWaalsContact O-CG 3.3Å; E332-K336 WeakPolarHBondContact O-CG 3.49Å; E332-K336 PolarHBondContact O-N 2.91Å; E332-K336 WeakPolarHBondContact OE2-CE 3.4Å; E332-K336 IonicContact OE2-NZ 3.36Å; E332-K336 PolarHBondContact OE2-NZ 2.88Å
333	D	94.7	Very high	93.5	Very high	11 Å²	11	55.1 Å²	55.1	6%	0.059	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-41.5	175.7	-79.7	-25.4	0	0	0	112.4	A203 H206 Q329 F335 K336 T337	A203-D333 WeakPolarHBondContact CA-OD2 3.5Å; A203-D333 HydrophobicContact CB-CB 3.76Å; H206-D333 WeakPolarHBondContact CB-OD2 3.38Å; H206-D333 IonicContact CE1-OD1 3.94Å; H206-D333 IonicContact CE1-OD2 3.19Å; H206-D333 IonicContact CG-OD2 2.66Å; H206-D333 VanDerWaalsContact ND1-CG 3.27Å; H206-D333 IonicContact ND1-OD1 2.66Å; H206-D333 PolarHBondContact ND1-OD1 3.17Å; H206-D333 VanDerWaalsContact ND1-OD1 3.09Å; H206-D333 IonicContact ND1-OD2 3.7Å; H206-D333 PolarHBondContact ND1-OD2 3.17Å; Q329-D333 WeakPolarHBondContact O-CB 3.4Å; Q329-D333 VanDerWaalsContact O-CG 3.3Å; Q329-D333 PolarHBondContact O-N 2.75Å; D333-F335 VanDerWaalsContact C-N 3.26Å; D333-F335 PolarHBondContact O-N 3.31Å; D333-K336 PolarHBondContact O-N 2.86Å; D333-T337 WeakPolarHBondContact O-CB 3.39Å; D333-T337 VanDerWaalsContact O-CG2 3.31Å; D333-T337 WeakPolarHBondContact O-CG2 3.49Å; D333-T337 PolarHBondContact O-N 2.98Å; D333-T337 PolarHBondContact O-OG1 3.37Å
334	M	94.3	Very high	94.3	Very high	105 Å²	105	53 Å²	53	52%	0.517	25%	0.246	S	C	.	.	H	α-helix	trans	-60	-39.4	176.6	-75.1	-168.6	-67.3	0	0	111.5	M326 N330 E331 E332 N338	M326-M334 HydrophobicContact CE-CE 3.78Å; M326-M334 HydrophobicContact CE-SD 4.09Å; M326-M334 HydrophobicContact SD-CE 4.19Å; N330-M334 WeakPolarHBondContact O-CG 3.17Å; N330-M334 PolarHBondContact O-N 3.4Å; N330-M334 VanDerWaalsContact O-N 3.16Å; E331-M334 HydrophobicContact CB-CE 4.47Å; E331-M334 HydrophobicContact CG-CE 4.31Å; E331-M334 PolarHBondContact O-N 2.92Å; E332-M334 VanDerWaalsContact C-N 3.3Å; E332-M334 PolarHBondContact O-N 3.27Å; M334-N338 WeakPolarHBondContact O-CB 3.42Å
335	F	93.6	Very high	94.6	Very high	28 Å²	28	51.8 Å²	51.8	12%	0.123	24%	0.239	C	C	.	.	H	α-helix	trans	-69.6	-53.8	173.8	173.7	-95.5	0	0	0	111.7	K177 V181 E331 E332 D333 T337 N338 E341 L342 L345	K177-F335 HydrophobicContact CB-CE1 3.84Å; K177-F335 HydrophobicContact CB-CZ 3.96Å; K177-F335 HydrophobicContact CD-CD1 4.05Å; K177-F335 HydrophobicContact CD-CD2 4.29Å; K177-F335 HydrophobicContact CD-CE1 3.99Å; K177-F335 HydrophobicContact CD-CE2 4.21Å; K177-F335 HydrophobicContact CD-CG 4.21Å; K177-F335 HydrophobicContact CD-CZ 4.06Å; K177-F335 HydrophobicContact CG-CD1 3.76Å; K177-F335 HydrophobicContact CG-CE1 3.47Å; K177-F335 VanDerWaalsContact CG-CE1 3.47Å; K177-F335 HydrophobicContact CG-CG 4.42Å; K177-F335 HydrophobicContact CG-CZ 3.89Å; V181-F335 HydrophobicContact CG2-CZ 4.43Å; E331-F335 PolarHBondContact O-N 2.69Å; E332-F335 WeakPolarHBondContact O-CB 3.25Å; E332-F335 PolarHBondContact O-N 3.4Å; E332-F335 VanDerWaalsContact O-N 3.11Å; D333-F335 VanDerWaalsContact C-N 3.26Å; D333-F335 PolarHBondContact O-N 3.31Å; F335-T337 PolarHBondContact O-N 3.24Å; F335-N338 PolarHBondContact O-N 3.31Å; F335-N338 VanDerWaalsContact O-N 3.11Å; F335-E341 HydrophobicContact CD2-CG 4.22Å; F335-E341 HydrophobicContact CE2-CG 4.02Å; F335-L342 HydrophobicContact CE1-CD2 4.08Å; F335-L342 HydrophobicContact CZ-CD2 4Å; F335-L345 HydrophobicContact CE2-CD1 3.6Å; F335-L345 HydrophobicContact CZ-CD1 3.77Å
336	K	91.4	Very high	94.5	Very high	31 Å²	31	50.9 Å²	50.9	14%	0.135	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-30.6	-173	-70.8	173.1	176.3	167.7	0	111.7	E176 M180 L199 E332 D333	E176-K336 IonicContact OE2-NZ 2.65Å; E176-K336 PolarHBondContact OE2-NZ 3.44Å; M180-K336 HydrophobicContact CE-CD 4.43Å; M180-K336 HydrophobicContact CE-CG 4.14Å; L199-K336 HydrophobicContact CD1-CB 4.39Å; L199-K336 VanDerWaalsContact CD1-O 3.29Å; L199-K336 WeakPolarHBondContact CD1-O 3.49Å; L199-K336 HydrophobicContact CD2-CB 4.39Å; E332-K336 HydrophobicContact CB-CD 4.46Å; E332-K336 WeakPolarHBondContact O-CB 3.4Å; E332-K336 VanDerWaalsContact O-CG 3.3Å; E332-K336 WeakPolarHBondContact O-CG 3.49Å; E332-K336 PolarHBondContact O-N 2.91Å; E332-K336 WeakPolarHBondContact OE2-CE 3.4Å; E332-K336 IonicContact OE2-NZ 3.36Å; E332-K336 PolarHBondContact OE2-NZ 2.88Å; D333-K336 PolarHBondContact O-N 2.86Å
337	T	93.8	Very high	94.6	Very high	33 Å²	33	49.5 Å²	49.5	20%	0.202	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.4	179.9	61.5	0	0	0	0	114.9	L199 K200 A203 D333 F335 E339	L199-T337 HydrophobicContact CB-CG2 4.22Å; K200-T337 HydrophobicContact CB-CG2 4.49Å; K200-T337 HydrophobicContact CG-CG2 3.86Å; A203-T337 HydrophobicContact CB-CG2 3.85Å; D333-T337 WeakPolarHBondContact O-CB 3.39Å; D333-T337 VanDerWaalsContact O-CG2 3.31Å; D333-T337 WeakPolarHBondContact O-CG2 3.49Å; D333-T337 PolarHBondContact O-N 2.98Å; D333-T337 PolarHBondContact O-OG1 3.37Å; F335-T337 PolarHBondContact O-N 3.24Å; T337-E339 PolarHBondContact O-N 2.99Å
338	N	94.7	Very high	94.5	Very high	72 Å²	72	53.6 Å²	53.6	39%	0.385	26%	0.256	S	S	.	.			trans	-84.9	95	-179.4	-172.2	-17.8	0	0	0	111.7	M334 F335 E340 E341 L342	M334-N338 WeakPolarHBondContact O-CB 3.42Å; F335-N338 PolarHBondContact O-N 3.31Å; F335-N338 VanDerWaalsContact O-N 3.11Å; N338-E340 PolarHBondContact O-N 3.45Å; N338-E340 PolarHBondContact OD1-N 3.21Å; N338-E341 HydrophobicContact CB-CB 3.94Å; N338-E341 VanDerWaalsContact CG-CB 3.49Å; N338-E341 PolarHBondContact O-N 3.43Å; N338-E341 PolarHBondContact OD1-N 3.45Å; N338-E341 VanDerWaalsContact OD1-N 3.1Å; N338-L342 WeakPolarHBondContact O-CG 3.21Å; N338-L342 PolarHBondContact O-N 2.93Å; N338-L342 VanDerWaalsContact O-N 3.07Å
339	E	94.8	Very high	94.3	Very high	67 Å²	67	56 Å²	56	31%	0.313	28%	0.276	S	S	.	.	H	α-helix	trans	-60.6	-40.5	-179.8	177.9	172.6	-178.8	0	0	113.8	L196 T337 E341 L342 R343	L196-E339 HydrophobicContact CD1-CB 3.76Å; L196-E339 VanDerWaalsContact CD1-CD 3.4Å; L196-E339 HydrophobicContact CD1-CG 3.56Å; L196-E339 WeakPolarHBondContact CD1-OE2 3.37Å; L196-E339 HydrophobicContact CD2-CB 4.05Å; T337-E339 PolarHBondContact O-N 2.99Å; E339-E341 VanDerWaalsContact C-N 3.33Å; E339-L342 PolarHBondContact O-N 3.39Å; E339-R343 HydrophobicContact CG-CG 4.45Å; E339-R343 WeakPolarHBondContact O-CB 3.48Å; E339-R343 WeakPolarHBondContact O-CG 3.27Å; E339-R343 PolarHBondContact O-N 2.95Å; E339-R343 IonicContact OE1-CZ 3.4Å; E339-R343 VanDerWaalsContact OE1-CZ 3.25Å; E339-R343 IonicContact OE1-NE 2.66Å; E339-R343 PolarHBondContact OE1-NE 3.49Å; E339-R343 IonicContact OE1-NH2 3.66Å; E339-R343 PolarHBondContact OE1-NH2 2.63Å
340	E	96	Very high	94.1	Very high	162 Å²	162	60.4 Å²	60.4	76%	0.757	30%	0.296	S	S	*	.	H	α-helix	trans	-64.7	-42.9	-178.5	-174.4	174.5	-177.2	0	0	110.6	N338 R343 R344	N338-E340 PolarHBondContact O-N 3.45Å; N338-E340 PolarHBondContact OD1-N 3.21Å; E340-R343 PolarHBondContact O-N 3.15Å; E340-R344 WeakPolarHBondContact O-CB 3.32Å; E340-R344 PolarHBondContact O-N 3.44Å
341	E	94.8	Very high	93.9	Very high	40 Å²	40	62 Å²	62	19%	0.187	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-47	176	-176.4	58.9	-159.9	0	0	111.7	F335 N338 E339 R343 R344 L345	F335-E341 HydrophobicContact CD2-CG 4.22Å; F335-E341 HydrophobicContact CE2-CG 4.02Å; N338-E341 HydrophobicContact CB-CB 3.94Å; N338-E341 VanDerWaalsContact CG-CB 3.49Å; N338-E341 PolarHBondContact O-N 3.43Å; N338-E341 PolarHBondContact OD1-N 3.45Å; N338-E341 VanDerWaalsContact OD1-N 3.1Å; E339-E341 VanDerWaalsContact C-N 3.33Å; E341-R343 VanDerWaalsContact C-N 3.34Å; E341-R343 PolarHBondContact O-N 2.87Å; E341-R344 WeakPolarHBondContact O-CB 3.22Å; E341-R344 PolarHBondContact O-N 3.24Å; E341-R344 IonicContact OE1-CZ 2.64Å; E341-R344 IonicContact OE1-NE 3.61Å; E341-R344 IonicContact OE1-NH2 3.61Å; E341-R344 PolarHBondContact OE1-NH2 2.97Å; E341-R344 IonicContact OE2-CZ 2.87Å; E341-R344 IonicContact OE2-NE 3.81Å; E341-R344 PolarHBondContact OE2-NE 3.36Å; E341-R344 IonicContact OE2-NH1 3.52Å; E341-R344 PolarHBondContact OE2-NH1 3Å; E341-R344 IonicContact OE2-NH2 3.79Å; E341-R344 PolarHBondContact OE2-NH2 3.47Å; E341-L345 HydrophobicContact CG-CD1 4.18Å; E341-L345 WeakPolarHBondContact O-CG 3.24Å; E341-L345 PolarHBondContact O-N 3.45Å
342	L	95.1	Very high	93.8	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.9	-43.6	176.8	-71.5	174.3	0	0	0	111.9	M180 V181 F184 L196 F335 N338 E339 L345 V346	M180-L342 HydrophobicContact CG-CD2 3.92Å; V181-L342 HydrophobicContact CG2-CD2 4.12Å; F184-L342 HydrophobicContact CD1-CB 4.24Å; F184-L342 HydrophobicContact CD2-CD1 4.12Å; F184-L342 HydrophobicContact CE1-CB 4.25Å; F184-L342 HydrophobicContact CE2-CD1 4.22Å; F184-L342 HydrophobicContact CG-CB 4.42Å; F184-L342 HydrophobicContact CZ-CB 4.44Å; L196-L342 HydrophobicContact CD2-CD1 4.06Å; F335-L342 HydrophobicContact CE1-CD2 4.08Å; F335-L342 HydrophobicContact CZ-CD2 4Å; N338-L342 WeakPolarHBondContact O-CG 3.21Å; N338-L342 PolarHBondContact O-N 2.93Å; N338-L342 VanDerWaalsContact O-N 3.07Å; E339-L342 PolarHBondContact O-N 3.39Å; L342-L345 PolarHBondContact O-N 3.34Å; L342-V346 WeakPolarHBondContact O-CG2 3.35Å; L342-V346 PolarHBondContact O-N 3.1Å
343	R	94.7	Very high	93.5	Very high	80 Å²	80	66.5 Å²	66.5	30%	0.302	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-42	176.9	-74.4	-178.9	-173.2	-85.1	-5.9	111.9	F184 E189 E339 E340 E341 V346 S347	F184-R343 HydrophobicContact CE1-CG 3.91Å; F184-R343 HydrophobicContact CZ-CG 4.4Å; E189-R343 VanDerWaalsContact CD-NH2 3.3Å; E189-R343 IonicContact OE1-CZ 3.22Å; E189-R343 IonicContact OE1-NH1 3.59Å; E189-R343 IonicContact OE1-NH2 3.04Å; E189-R343 PolarHBondContact OE1-NH2 3.4Å; E189-R343 IonicContact OE2-CZ 3.32Å; E189-R343 IonicContact OE2-NH1 3.07Å; E189-R343 PolarHBondContact OE2-NH1 3.01Å; E189-R343 IonicContact OE2-NH2 2.72Å; E189-R343 PolarHBondContact OE2-NH2 3.26Å; E339-R343 HydrophobicContact CG-CG 4.45Å; E339-R343 WeakPolarHBondContact O-CB 3.48Å; E339-R343 WeakPolarHBondContact O-CG 3.27Å; E339-R343 PolarHBondContact O-N 2.95Å; E339-R343 IonicContact OE1-CZ 3.4Å; E339-R343 VanDerWaalsContact OE1-CZ 3.25Å; E339-R343 IonicContact OE1-NE 2.66Å; E339-R343 PolarHBondContact OE1-NE 3.49Å; E339-R343 IonicContact OE1-NH2 3.66Å; E339-R343 PolarHBondContact OE1-NH2 2.63Å; E340-R343 PolarHBondContact O-N 3.15Å; E341-R343 VanDerWaalsContact C-N 3.34Å; E341-R343 PolarHBondContact O-N 2.87Å; R343-V346 PolarHBondContact O-N 3.01Å; R343-S347 PolarHBondContact O-N 3.04Å
344	R	96.2	Very high	93.1	Very high	148 Å²	148	71.6 Å²	71.6	56%	0.558	35%	0.352	S	S	*	.	H	α-helix	trans	-58.7	-49.8	176	-173.5	-177	76.2	179.9	7.3	110.9	E340 E341 V346 S347 E348	E340-R344 WeakPolarHBondContact O-CB 3.32Å; E340-R344 PolarHBondContact O-N 3.44Å; E341-R344 WeakPolarHBondContact O-CB 3.22Å; E341-R344 PolarHBondContact O-N 3.24Å; E341-R344 IonicContact OE1-CZ 2.64Å; E341-R344 IonicContact OE1-NE 3.61Å; E341-R344 IonicContact OE1-NH2 3.61Å; E341-R344 PolarHBondContact OE1-NH2 2.97Å; E341-R344 IonicContact OE2-CZ 2.87Å; E341-R344 IonicContact OE2-NE 3.81Å; E341-R344 PolarHBondContact OE2-NE 3.36Å; E341-R344 IonicContact OE2-NH1 3.52Å; E341-R344 PolarHBondContact OE2-NH1 3Å; E341-R344 IonicContact OE2-NH2 3.79Å; E341-R344 PolarHBondContact OE2-NH2 3.47Å; R344-V346 PolarHBondContact O-N 2.98Å; R344-S347 WeakPolarHBondContact O-CB 3.48Å; R344-S347 PolarHBondContact O-N 3.25Å; R344-E348 PolarHBondContact O-N 3.45Å
345	L	95.3	Very high	92.8	Very high	42 Å²	42	71.1 Å²	71.1	22%	0.22	35%	0.351	C	S	.	.	H	α-helix	trans	-65	-39	-179.4	-69.3	174.1	0	0	0	112.6	V181 F335 E341 L342 E348 A349	V181-L345 HydrophobicContact CG1-CB 4.11Å; V181-L345 HydrophobicContact CG2-CB 3.87Å; V181-L345 HydrophobicContact CG2-CD1 3.94Å; F335-L345 HydrophobicContact CE2-CD1 3.6Å; F335-L345 HydrophobicContact CZ-CD1 3.77Å; E341-L345 HydrophobicContact CG-CD1 4.18Å; E341-L345 WeakPolarHBondContact O-CG 3.24Å; E341-L345 PolarHBondContact O-N 3.45Å; L342-L345 PolarHBondContact O-N 3.34Å; L345-E348 PolarHBondContact O-N 3.03Å; L345-A349 WeakPolarHBondContact O-CB 3.29Å; L345-A349 PolarHBondContact O-N 3.49Å
346	V	93.7	Very high	92.3	Very high	9 Å²	9	78.2 Å²	78.2	6%	0.055	38%	0.377	C	S	.	.	H	α-helix	trans	-61.6	-46.1	173.2	166.9	0	0	0	0	111.2	V181 F184 L342 R343 R344 E348 A349 Q350	V181-V346 HydrophobicContact CG1-CG2 3.73Å; V181-V346 WeakPolarHBondContact O-CG2 3.4Å; F184-V346 HydrophobicContact CB-CG2 4.41Å; F184-V346 HydrophobicContact CD1-CG2 3.96Å; L342-V346 WeakPolarHBondContact O-CG2 3.35Å; L342-V346 PolarHBondContact O-N 3.1Å; R343-V346 PolarHBondContact O-N 3.01Å; R344-V346 PolarHBondContact O-N 2.98Å; V346-E348 VanDerWaalsContact C-N 3.32Å; V346-E348 PolarHBondContact O-N 3.03Å; V346-A349 PolarHBondContact O-N 3.39Å; V346-Q350 HydrophobicContact CG1-CG 4.49Å; V346-Q350 WeakPolarHBondContact O-CG 3.46Å; V346-Q350 PolarHBondContact O-N 3.43Å
347	S	94.4	Very high	91.6	Very high	66 Å²	66	82.2 Å²	82.2	46%	0.462	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-44.5	178	-173.1	0	0	0	0	111.2	R343 R344 Q350 S351	R343-S347 PolarHBondContact O-N 3.04Å; R344-S347 WeakPolarHBondContact O-CB 3.48Å; R344-S347 PolarHBondContact O-N 3.25Å; S347-Q350 PolarHBondContact O-N 3.03Å; S347-S351 PolarHBondContact O-N 2.89Å; S347-S351 PolarHBondContact O-OG 3.33Å
348	E	94.4	Very high	90.5	Very high	87 Å²	87	86.2 Å²	86.2	41%	0.407	41%	0.413	S	S	.	.	H	α-helix	trans	-62.8	-43.3	178.4	-169.6	-174.3	157.7	0	0	111.9	R344 L345 V346 Q350 S351 K352	R344-E348 PolarHBondContact O-N 3.45Å; L345-E348 PolarHBondContact O-N 3.03Å; V346-E348 VanDerWaalsContact C-N 3.32Å; V346-E348 PolarHBondContact O-N 3.03Å; E348-Q350 VanDerWaalsContact C-N 3.34Å; E348-Q350 PolarHBondContact O-N 2.83Å; E348-S351 PolarHBondContact O-N 3.36Å; E348-K352 HydrophobicContact CG-CD 4.31Å; E348-K352 WeakPolarHBondContact O-CB 3.46Å; E348-K352 WeakPolarHBondContact O-CG 3.41Å; E348-K352 PolarHBondContact O-N 2.82Å; E348-K352 VanDerWaalsContact OE1-CE 3.25Å; E348-K352 WeakPolarHBondContact OE1-CE 3.13Å; E348-K352 IonicContact OE1-NZ 2.8Å; E348-K352 PolarHBondContact OE1-NZ 2.81Å
349	A	91.7	Very high	89.3	Confident	51 Å²	51	87.3 Å²	87.3	42%	0.421	42%	0.422	S	S	.	.	H	α-helix	trans	-61.3	-42.3	176.9	0	0	0	0	0	111.8	L345 V346 K352 E353	L345-A349 WeakPolarHBondContact O-CB 3.29Å; L345-A349 PolarHBondContact O-N 3.49Å; V346-A349 PolarHBondContact O-N 3.39Å; A349-K352 PolarHBondContact O-N 3.4Å; A349-E353 PolarHBondContact O-N 3.02Å; A349-E353 VanDerWaalsContact O-N 3.1Å
350	Q	90.2	Very high	87.7	Confident	103 Å²	103	89.1 Å²	89.1	48%	0.481	44%	0.438	S	S	.	.	H	α-helix	trans	-65.5	-42.8	177	-72.5	177.6	-20	0	0	112.3	V346 S347 E348 E353 Q354	V346-Q350 HydrophobicContact CG1-CG 4.49Å; V346-Q350 WeakPolarHBondContact O-CG 3.46Å; V346-Q350 PolarHBondContact O-N 3.43Å; S347-Q350 PolarHBondContact O-N 3.03Å; E348-Q350 VanDerWaalsContact C-N 3.34Å; E348-Q350 PolarHBondContact O-N 2.83Å; Q350-E353 PolarHBondContact O-N 2.91Å; Q350-Q354 WeakPolarHBondContact O-CG 3.09Å; Q350-Q354 PolarHBondContact O-N 3.05Å
351	S	91.9	Very high	85.9	Confident	53 Å²	53	87 Å²	87	37%	0.371	44%	0.436	S	S	.	.	H	α-helix	trans	-64.3	-40.5	176.5	-61.2	0	0	0	0	112.4	S347 E348 E353 Q354 N355	S347-S351 PolarHBondContact O-N 2.89Å; S347-S351 PolarHBondContact O-OG 3.33Å; E348-S351 PolarHBondContact O-N 3.36Å; S351-E353 VanDerWaalsContact C-N 3.32Å; S351-E353 PolarHBondContact O-N 2.78Å; S351-Q354 PolarHBondContact O-N 3.33Å; S351-N355 PolarHBondContact O-N 2.68Å
352	K	91.2	Very high	83.9	Confident	117 Å²	117	92.6 Å²	92.6	51%	0.509	46%	0.462	S	S	.	.	H	α-helix	trans	-61.4	-40.7	175.5	-78.6	171.9	170.5	168.7	0	111.9	E348 A349 N355 R356	E348-K352 HydrophobicContact CG-CD 4.31Å; E348-K352 WeakPolarHBondContact O-CB 3.46Å; E348-K352 WeakPolarHBondContact O-CG 3.41Å; E348-K352 PolarHBondContact O-N 2.82Å; E348-K352 VanDerWaalsContact OE1-CE 3.25Å; E348-K352 WeakPolarHBondContact OE1-CE 3.13Å; E348-K352 IonicContact OE1-NZ 2.8Å; E348-K352 PolarHBondContact OE1-NZ 2.81Å; A349-K352 PolarHBondContact O-N 3.4Å; K352-N355 PolarHBondContact O-N 2.84Å; K352-R356 WeakPolarHBondContact O-CG 3.21Å; K352-R356 PolarHBondContact O-N 3.45Å
353	E	86.6	Confident	81.4	Confident	92 Å²	92	100.4 Å²	100.4	43%	0.43	50%	0.499	S	S	.	.	H	α-helix	trans	-67.4	-43.2	178	-174.8	55	-151.7	0	0	112	A349 Q350 S351 N355 R356 Q357	A349-E353 PolarHBondContact O-N 3.02Å; A349-E353 VanDerWaalsContact O-N 3.1Å; Q350-E353 PolarHBondContact O-N 2.91Å; S351-E353 VanDerWaalsContact C-N 3.32Å; S351-E353 PolarHBondContact O-N 2.78Å; E353-N355 VanDerWaalsContact C-N 3.34Å; E353-N355 PolarHBondContact O-N 3.42Å; E353-R356 PolarHBondContact O-N 3.31Å; E353-Q357 WeakPolarHBondContact O-CG 3.3Å; E353-Q357 PolarHBondContact O-N 3.15Å; E353-Q357 PolarHBondContact OE1-NE2 3.48Å
354	Q	85.7	Confident	79	Confident	118 Å²	118	101.9 Å²	101.9	55%	0.551	52%	0.519	S	S	*	.	H	α-helix	trans	-59.8	-43.6	174.8	-72.6	175.5	-10.9	0	0	112.2	Q350 S351 Q357 Q358	Q350-Q354 WeakPolarHBondContact O-CG 3.09Å; Q350-Q354 PolarHBondContact O-N 3.05Å; S351-Q354 PolarHBondContact O-N 3.33Å; Q354-Q357 PolarHBondContact O-N 3.33Å; Q354-Q358 WeakPolarHBondContact O-CG 3.06Å; Q354-Q358 PolarHBondContact O-N 2.79Å
355	N	88.4	Confident	76.5	Confident	95 Å²	95	101 Å²	101	51%	0.508	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-41.7	177	-72.4	-10.6	0	0	0	111.8	S351 K352 E353 Q357 Q358 T359	S351-N355 PolarHBondContact O-N 2.68Å; K352-N355 PolarHBondContact O-N 2.84Å; E353-N355 VanDerWaalsContact C-N 3.34Å; E353-N355 PolarHBondContact O-N 3.42Å; N355-Q357 VanDerWaalsContact C-N 3.31Å; N355-Q357 PolarHBondContact O-N 3.4Å; N355-Q358 PolarHBondContact O-N 3.22Å; N355-T359 PolarHBondContact O-N 3.27Å; N355-T359 PolarHBondContact O-OG1 3.47Å
356	R	82.9	Confident	74.2	Confident	176 Å²	176	105.4 Å²	105.4	66%	0.664	55%	0.553	S	S	*	*	H	α-helix	trans	-59.3	-42.3	175.1	-81.9	-179.5	174.9	176.6	-1.6	112	K352 E353 T359 T360	K352-R356 WeakPolarHBondContact O-CG 3.21Å; K352-R356 PolarHBondContact O-N 3.45Å; E353-R356 PolarHBondContact O-N 3.31Å; R356-T359 PolarHBondContact O-N 3.01Å; R356-T360 PolarHBondContact O-N 3.14Å; R356-T360 VanDerWaalsContact O-N 3.15Å; R356-T360 PolarHBondContact O-OG1 2.86Å
357	Q	76.7	Confident	72	Confident	115 Å²	115	111.9 Å²	111.9	54%	0.537	58%	0.583	S	S	.	*	H	α-helix	trans	-64.8	-44.8	178.5	-69.6	175.6	13.4	0	0	111.5	E353 Q354 N355 T359 T360 T361	E353-Q357 WeakPolarHBondContact O-CG 3.3Å; E353-Q357 PolarHBondContact O-N 3.15Å; E353-Q357 PolarHBondContact OE1-NE2 3.48Å; Q354-Q357 PolarHBondContact O-N 3.33Å; N355-Q357 VanDerWaalsContact C-N 3.31Å; N355-Q357 PolarHBondContact O-N 3.4Å; Q357-T359 PolarHBondContact O-N 3.16Å; Q357-T360 PolarHBondContact O-N 3.49Å; Q357-T361 PolarHBondContact O-N 2.93Å; Q357-T361 PolarHBondContact O-OG1 2.92Å
358	Q	72.1	Confident	69.5	Low	118 Å²	118	116.6 Å²	116.6	55%	0.551	60%	0.603	S	S	*	*	H	α-helix	trans	-60.1	-45.9	176.7	-73.2	177.8	-3	0	0	112.4	Q354 N355 T360 T361 E362	Q354-Q358 WeakPolarHBondContact O-CG 3.06Å; Q354-Q358 PolarHBondContact O-N 2.79Å; N355-Q358 PolarHBondContact O-N 3.22Å; Q358-T360 VanDerWaalsContact C-N 3.25Å; Q358-T360 PolarHBondContact O-N 2.93Å; Q358-T361 WeakPolarHBondContact CA-OG1 3.06Å; Q358-T361 PolarHBondContact O-N 3.33Å; Q358-T361 PolarHBondContact O-OG1 3.21Å; Q358-E362 PolarHBondContact O-N 3.3Å
359	T	68.8	Low	67.3	Low	94 Å²	94	122.5 Å²	122.5	58%	0.577	65%	0.645	S	S	*	*	H	α-helix	trans	-64.5	-30.4	-179.4	-33.7	0	0	0	0	112.3	N355 R356 Q357	N355-T359 PolarHBondContact O-N 3.27Å; N355-T359 PolarHBondContact O-OG1 3.47Å; R356-T359 PolarHBondContact O-N 3.01Å; Q357-T359 PolarHBondContact O-N 3.16Å
360	T	60.3	Low	66.1	Low	106 Å²	106	126.1 Å²	126.1	65%	0.65	66%	0.656	S	S	*	*	H	α-helix	trans	-76.1	-31.9	178.8	-50.4	0	0	0	0	111.8	R356 Q357 Q358 E362	R356-T360 PolarHBondContact O-N 3.14Å; R356-T360 VanDerWaalsContact O-N 3.15Å; R356-T360 PolarHBondContact O-OG1 2.86Å; Q357-T360 PolarHBondContact O-N 3.49Å; Q358-T360 VanDerWaalsContact C-N 3.25Å; Q358-T360 PolarHBondContact O-N 2.93Å; T360-E362 VanDerWaalsContact C-N 3.33Å
361	T	58.2	Low	64.8	Low	117 Å²	117	127.3 Å²	127.3	72%	0.718	67%	0.665	S	S	*	*	H	α-helix	trans	-73.1	-19.7	173.9	20.4	0	0	0	0	114.5	Q357 Q358	Q357-T361 PolarHBondContact O-N 2.93Å; Q357-T361 PolarHBondContact O-OG1 2.92Å; Q358-T361 WeakPolarHBondContact CA-OG1 3.06Å; Q358-T361 PolarHBondContact O-N 3.33Å; Q358-T361 PolarHBondContact O-OG1 3.21Å
362	E	54.5	Low	63.3	Low	158 Å²	158	131.4 Å²	131.4	74%	0.738	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-2.7	-176.8	-73.1	-172.6	167.8	0	0	114.8	Q358 T360 P364	Q358-E362 PolarHBondContact O-N 3.3Å; T360-E362 VanDerWaalsContact C-N 3.33Å; E362-P364 WeakPolarHBondContact O-CD 3.19Å
363	Q	41.6	Very low	61.7	Low	163 Å²	163	132.2 Å²	132.2	76%	0.762	69%	0.691	S	S	*	*	S	Bend	trans	-70.6	110.2	169.8	-78.1	-163.5	-29.6	0	0	109.9	N365	Q363-N365 PolarHBondContact O-N 2.85Å
364	P	44.9	Very low	60.1	Low	111 Å²	111	134.8 Å²	134.8	72%	0.721	71%	0.708	S	S	*	*			trans	-74	136.5	-175.1	12.9	-1.2	0	0	0	109.8	E362 V366	E362-P364 WeakPolarHBondContact O-CD 3.19Å; P364-V366 PolarHBondContact O-N 3.49Å
365	N	43	Very low	58.4	Low	129 Å²	129	135.9 Å²	135.9	69%	0.69	72%	0.718	S	S	*	*			trans	-44.9	95.6	164	-168.9	14.9	0	0	0	110.2	Q363 Q367	Q363-N365 PolarHBondContact O-N 2.85Å; N365-Q367 PolarHBondContact O-N 2.89Å
366	V	47.1	Very low	56.3	Low	135 Å²	135	138.8 Å²	138.8	82%	0.818	73%	0.733	S	S	*	*			trans	-72.7	83.2	164.9	-175	0	0	0	0	105.9	P364 N368	P364-V366 PolarHBondContact O-N 3.49Å; V366-N368 PolarHBondContact O-N 3.32Å
367	Q	47.1	Very low	54.2	Low	145 Å²	145	135.9 Å²	135.9	68%	0.678	74%	0.738	S	S	*	*			trans	-66	119.6	166.3	-83.1	-178.9	-31.6	0	0	108.2	N365 V369	N365-Q367 PolarHBondContact O-N 2.89Å; Q367-V369 PolarHBondContact O-N 3.34Å
368	N	42	Very low	52.3	Low	166 Å²	166	137.7 Å²	137.7	89%	0.888	76%	0.755	S	S	*	*			trans	-42.3	125.9	158.6	-85.9	-26.6	0	0	0	110.2	V366	V366-N368 PolarHBondContact O-N 3.32Å
369	V	48.5	Very low	50.6	Low	210 Å²	210	139.5 Å²	139.5	100%	1.273	77%	0.774	S	S	*	*			trans	-122.9	0	158.7	178.6	0	0	0	0	107.7	Q367	Q367-V369 PolarHBondContact O-N 3.34Å

Retrieved 369 of 369 residues in 941 ms (Link to these results)

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