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Monofunctional glycosyltransferase

Peptidoglycan polymerase that catalyzes glycan chain elongation using lipid-linked disaccharide-pentapeptide as the substrate.

AlphaFold DB (Q93Q23), UniProt , Accession Q99T05, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene mgt, Length 269 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	45.1	Very low	253 Å²	253	175.5 Å²	175.5	100%	1.246	86%	0.864	S	S	*	*				0	142.6	0	-154.2	158.5	101.3	0	0	108.9
2	K	40.1	Very low	45.1	Very low	198 Å²	198	176.3 Å²	176.3	86%	0.861	86%	0.864	S	S	*	*			trans	-59.6	149.5	-169.3	-68.1	171.3	167.4	179.1	0	115.8
3	R	47.7	Very low	44.7	Very low	256 Å²	256	176.3 Å²	176.3	97%	0.966	86%	0.86	S	S	*	*			trans	-166.4	37.7	151	-137.5	179.7	-174.8	-174.8	1.5	116.3
4	S	47.7	Very low	44.6	Very low	103 Å²	103	178.9 Å²	178.9	72%	0.72	87%	0.865	S	S	*	*	S	Bend	trans	-108.6	-12.5	176.1	58.1	0	0	0	0	116.5
5	D	48.2	Very low	44.6	Very low	141 Å²	141	179.1 Å²	179.1	75%	0.754	86%	0.864	S	S	*	*			trans	-121.7	64.4	-165.8	-50.5	-19.7	0	0	0	112.9
6	R	50.4	Low	44.6	Very low	216 Å²	216	180.2 Å²	180.2	82%	0.815	87%	0.867	S	S	*	*			trans	-152.9	102.9	163.3	-105.2	-174.9	-76.3	-173.1	-1.8	109.2
7	Y	50.3	Low	44.7	Very low	227 Å²	227	180.1 Å²	180.1	89%	0.89	87%	0.868	S	S	*	*			trans	143.6	63.6	146.8	-72.4	-66.1	0	0	0	110.7
8	S	44	Very low	44.7	Very low	109 Å²	109	181.7 Å²	181.7	76%	0.762	87%	0.87	S	S	*	*			trans	-102.8	144.7	154.5	56.8	0	0	0	0	108.8
9	N	45.4	Very low	45	Very low	154 Å²	154	182.1 Å²	182.1	82%	0.824	87%	0.87	S	S	*	*			trans	87.9	106.3	170.4	-76.3	-8.5	0	0	0	119.5
10	S	47.2	Very low	45.1	Very low	120 Å²	120	181.8 Å²	181.8	84%	0.839	87%	0.868	S	S	*	*				-165.3	111.2	100.8	57.7	0	0	0	0	111.1
11	N	39.2	Very low	45.4	Very low	154 Å²	154	178.3 Å²	178.3	82%	0.824	86%	0.86	S	S	*	*			trans	-80.4	138.4	163.2	-76.2	-36.2	0	0	0	108.9
12	E	44.2	Very low	46	Very low	185 Å²	185	175.3 Å²	175.3	86%	0.864	84%	0.843	S	S	*	*			trans	-172.8	125.5	139.2	-106.7	170.2	-162.1	0	0	113.8
13	H	40.2	Very low	46.4	Very low	176 Å²	176	176 Å²	176	82%	0.815	84%	0.842	S	S	*	*			trans	30.9	117.2	155.3	-80	-83.2	0	0	0	123.1
14	F	43.8	Very low	46.7	Very low	212 Å²	212	170.9 Å²	170.9	93%	0.93	83%	0.834	S	S	*	*			trans	-94.9	118.9	159.9	-77.6	-94.4	0	0	0	110.3
15	E	44.7	Very low	46.7	Very low	183 Å²	183	171.4 Å²	171.4	86%	0.855	83%	0.833	S	S	*	*			trans	-112.7	133.2	163.5	-82.9	-165.2	160.9	0	0	111.1
16	H	44.2	Very low	46.5	Very low	196 Å²	196	174.1 Å²	174.1	91%	0.907	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-75.8	117.5	-178	-95.2	-97.2	0	0	0	112.3
17	M	45.9	Very low	46.3	Very low	178 Å²	178	175 Å²	175	88%	0.877	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-100.2	134.5	166.2	-70.1	-166.6	-165.7	0	0	112
18	K	45	Very low	46.5	Very low	210 Å²	210	172.4 Å²	172.4	91%	0.913	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-73.3	146.9	-173.4	-69.9	174.1	174.6	175.9	0	113.1
19	H	50.9	Low	47.1	Very low	189 Å²	189	173.3 Å²	173.3	88%	0.875	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-90.3	128.7	178.9	-65.1	-76.5	0	0	0	112.3
20	E	46.4	Very low	48.4	Very low	175 Å²	175	173.1 Å²	173.1	82%	0.818	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-103.8	144.5	163	-73.5	-166	161.7	0	0	111.4
21	P	51.8	Low	49.5	Very low	110 Å²	110	170.4 Å²	170.4	71%	0.714	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-89	129.8	-174.2	7.9	10.8	0	0	0	112.7
22	H	48.5	Very low	51.1	Low	189 Å²	189	172.8 Å²	172.8	88%	0.875	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-94.1	124.2	175.4	-73.4	-88.8	0	0	0	112
23	Y	48.1	Very low	52.5	Low	213 Å²	213	169.4 Å²	169.4	84%	0.835	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-82.3	134.4	172	-67.9	-88.1	0	0	0	111.2
24	N	54.6	Low	53.9	Low	149 Å²	149	166.8 Å²	166.8	80%	0.797	83%	0.829	S	S	*	*			trans	-105.8	115.2	-170.7	-153.3	3.5	0	0	0	110.9
25	T	46.9	Very low	55.4	Low	114 Å²	114	166.4 Å²	166.4	70%	0.699	83%	0.826	S	S	*	*			trans	-116	48	-168.3	43.7	0	0	0	0	114.8
26	Y	46	Very low	56.9	Low	198 Å²	198	167.6 Å²	167.6	78%	0.776	83%	0.829	S	S	*	*			trans	-135.3	67.2	177	-60	-77.6	0	0	0	113.6
27	Y	44.5	Very low	58.2	Low	235 Å²	235	167.9 Å²	167.9	92%	0.922	83%	0.828	S	S	*	*			trans	-90.3	103.2	162.2	-100.5	-88	0	0	0	109.5
28	Q	55.6	Low	59.4	Low	171 Å²	171	169.2 Å²	169.2	80%	0.799	83%	0.828	S	S	*	*			trans	-104.8	131	163.8	-70.5	-176.2	-12.3	0	0	108.9	V30	Q28-V30 PolarHBondContact O-N 3.49Å
29	P	56.5	Low	60.9	Low	129 Å²	129	162.1 Å²	162.1	84%	0.838	81%	0.805	S	S	*	*			trans	-64.5	128.2	-176.3	24	-31.5	0	0	0	111.3	G31	P29-G31 PolarHBondContact O-N 2.83Å; P29-G31 VanDerWaalsContact O-N 3.14Å
30	V	73.1	Confident	62.4	Low	149 Å²	149	162 Å²	162	90%	0.903	80%	0.802	S	S	*	*			trans	-61	111.2	-176.7	-114.8	0	0	0	0	110.7	Q28	Q28-V30 PolarHBondContact O-N 3.49Å
31	G	69.1	Low	64.3	Low	63 Å²	63	163.2 Å²	163.2	65%	0.649	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-58.1	146.1	168	0	0	0	0	0	110.8	P29	P29-G31 PolarHBondContact O-N 2.83Å; P29-G31 VanDerWaalsContact O-N 3.14Å
32	K	72.4	Confident	66	Low	204 Å²	204	163.1 Å²	163.1	89%	0.887	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-55.2	129.4	177.3	-68.2	179.7	-178.3	175.9	0	109.1
33	P	73.9	Confident	68	Low	114 Å²	114	160 Å²	160	74%	0.74	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-59.6	139.1	-175.4	22.2	-32.2	0	0	0	110.4	K35	P33-K35 PolarHBondContact O-N 3.27Å
34	P	70.6	Confident	70	Confident	122 Å²	122	155.6 Å²	155.6	79%	0.792	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-60.6	128.7	-179.1	23.3	-32	0	0	0	109.9	K36	P34-K36 PolarHBondContact O-N 3.49Å; P34-K36 VanDerWaalsContact O-N 3.13Å
35	K	74.6	Confident	71.8	Confident	203 Å²	203	155.4 Å²	155.4	88%	0.883	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-57.4	120.2	176.3	-73.5	-174.5	178.8	179.6	0	109.2	P33 K37	P33-K35 PolarHBondContact O-N 3.27Å; K35-K37 PolarHBondContact O-N 3.23Å
36	K	75.5	Confident	74	Confident	208 Å²	208	154.2 Å²	154.2	90%	0.904	75%	0.752	S	S	*	*			trans	-58.2	112.6	174	-73.1	-176	177.7	179.6	0	109.1	P34 K38	P34-K36 PolarHBondContact O-N 3.49Å; P34-K36 VanDerWaalsContact O-N 3.13Å; K36-K38 PolarHBondContact O-N 3.4Å
37	K	72.4	Confident	76.3	Confident	203 Å²	203	149.6 Å²	149.6	88%	0.883	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-65.2	125.8	171.4	-70.8	-176.9	-179.9	176.9	0	108.3	K35 S39	K35-K37 PolarHBondContact O-N 3.23Å; K37-S39 PolarHBondContact O-N 2.81Å
38	K	70.1	Confident	78.7	Confident	205 Å²	205	143 Å²	143	89%	0.891	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-56.2	136	170.6	-80.2	-176.3	177.6	179.3	0	109.1	K36 K40	K36-K38 PolarHBondContact O-N 3.4Å; K38-K40 PolarHBondContact O-N 3.43Å
39	S	77.3	Confident	80.6	Confident	61 Å²	61	138.6 Å²	138.6	43%	0.427	71%	0.705	S	S	.	*	P	Polyproline II helix	trans	-66.9	119.4	-177.7	179.6	0	0	0	0	110.6	K37 R41 I42	K37-S39 PolarHBondContact O-N 2.81Å; S39-R41 PolarHBondContact O-N 3.24Å; S39-R41 PolarHBondContact OG-N 3.41Å; S39-I42 PolarHBondContact O-N 3.46Å
40	K	83.4	Confident	82.4	Confident	186 Å²	186	136.4 Å²	136.4	81%	0.809	69%	0.685	S	S	*	*	H	α-helix	trans	-52	-27.8	173.8	-69.4	-176.1	176.6	-176.4	0	112.5	K38 I42 L43 L44	K38-K40 PolarHBondContact O-N 3.43Å; K40-I42 VanDerWaalsContact C-N 3.35Å; K40-I42 PolarHBondContact O-N 2.87Å; K40-L43 PolarHBondContact O-N 3.27Å; K40-L44 PolarHBondContact O-N 3.43Å
41	R	85.5	Confident	83.5	Confident	202 Å²	202	134 Å²	134	76%	0.762	67%	0.666	S	S	*	*	H	α-helix	trans	-63.7	-35.5	177.2	-65.6	-176.4	177.7	174.8	-0.9	113	S39 K45	S39-R41 PolarHBondContact O-N 3.24Å; S39-R41 PolarHBondContact OG-N 3.41Å; R41-K45 WeakPolarHBondContact O-CG 3.33Å; R41-K45 PolarHBondContact O-N 2.99Å; R41-K45 VanDerWaalsContact O-N 3.09Å
42	I	87.9	Confident	84.8	Confident	107 Å²	107	135 Å²	135	55%	0.549	66%	0.657	S	S	.	*	H	α-helix	trans	-70.4	-44.9	178.5	-63.8	167.7	0	0	0	109.6	S39 K40 L44 K45 I46	S39-I42 PolarHBondContact O-N 3.46Å; K40-I42 VanDerWaalsContact C-N 3.35Å; K40-I42 PolarHBondContact O-N 2.87Å; I42-L44 VanDerWaalsContact C-N 3.32Å; I42-L44 PolarHBondContact O-N 3.28Å; I42-K45 PolarHBondContact O-N 3.32Å; I42-I46 HydrophobicContact CG2-CD1 3.85Å; I42-I46 HydrophobicContact CG2-CG1 4.48Å; I42-I46 WeakPolarHBondContact O-CG1 3.34Å; I42-I46 PolarHBondContact O-N 3.38Å
43	L	89.9	Confident	85.9	Confident	125 Å²	125	130.3 Å²	130.3	65%	0.654	64%	0.64	S	S	*	*	H	α-helix	trans	-58.9	-44.5	176.7	-178.6	66.8	0	0	0	111.5	K40 I46 L47	K40-L43 PolarHBondContact O-N 3.27Å; L43-I46 PolarHBondContact O-N 2.85Å; L43-L47 WeakPolarHBondContact O-CB 3.48Å; L43-L47 PolarHBondContact O-N 3Å
44	L	91.4	Very high	86.9	Confident	119 Å²	119	128.8 Å²	128.8	62%	0.623	62%	0.624	S	S	*	*	H	α-helix	trans	-64.5	-39.6	178.6	-169.3	126.2	0	0	0	112.3	K40 I42 L47 L48	K40-L44 PolarHBondContact O-N 3.43Å; I42-L44 VanDerWaalsContact C-N 3.32Å; I42-L44 PolarHBondContact O-N 3.28Å; L44-L47 PolarHBondContact O-N 3.23Å; L44-L48 WeakPolarHBondContact O-CB 3.33Å; L44-L48 PolarHBondContact O-N 3.48Å
45	K	91.7	Very high	88.1	Confident	146 Å²	146	125.8 Å²	125.8	64%	0.635	61%	0.61	S	S	*	*	H	α-helix	trans	-63	-44.2	173.5	-75.6	-179.2	178.5	-167.9	0	112	R41 I42 L48 T49	R41-K45 WeakPolarHBondContact O-CG 3.33Å; R41-K45 PolarHBondContact O-N 2.99Å; R41-K45 VanDerWaalsContact O-N 3.09Å; I42-K45 PolarHBondContact O-N 3.32Å; K45-L48 PolarHBondContact O-N 2.85Å; K45-T49 PolarHBondContact O-N 3.25Å; K45-T49 PolarHBondContact O-OG1 3.24Å
46	I	93.2	Very high	89.1	Confident	89 Å²	89	121.3 Å²	121.3	46%	0.456	60%	0.595	S	S	.	*	H	α-helix	trans	-61.1	-46.9	176.8	-68	165.2	0	0	0	110.4	I42 L43 L48 T49 I50	I42-I46 HydrophobicContact CG2-CD1 3.85Å; I42-I46 HydrophobicContact CG2-CG1 4.48Å; I42-I46 WeakPolarHBondContact O-CG1 3.34Å; I42-I46 PolarHBondContact O-N 3.38Å; L43-I46 PolarHBondContact O-N 2.85Å; I46-L48 VanDerWaalsContact C-N 3.34Å; I46-L48 PolarHBondContact O-N 3.27Å; I46-T49 PolarHBondContact O-N 2.89Å; I46-I50 HydrophobicContact CG2-CD1 3.92Å; I46-I50 WeakPolarHBondContact O-CG1 3.27Å; I46-I50 PolarHBondContact O-N 3.3Å
47	L	94.2	Very high	90.1	Very high	100 Å²	100	115.1 Å²	115.1	52%	0.524	57%	0.568	S	S	.	*	H	α-helix	trans	-59.5	-44.6	177	-178.1	64.3	0	0	0	111.5	L43 L44 I50 L51	L43-L47 WeakPolarHBondContact O-CB 3.48Å; L43-L47 PolarHBondContact O-N 3Å; L44-L47 PolarHBondContact O-N 3.23Å; L47-I50 PolarHBondContact O-N 2.97Å; L47-L51 HydrophobicContact CG-CD1 4.41Å; L47-L51 WeakPolarHBondContact O-CG 3.36Å; L47-L51 PolarHBondContact O-N 3.32Å
48	L	95.3	Very high	91.2	Very high	96 Å²	96	109.1 Å²	109.1	50%	0.503	55%	0.546	S	S	.	.	H	α-helix	trans	-61.6	-43.9	176.2	-177.3	64.4	0	0	0	111.9	L44 K45 I46 I50 L51 I52	L44-L48 WeakPolarHBondContact O-CB 3.33Å; L44-L48 PolarHBondContact O-N 3.48Å; K45-L48 PolarHBondContact O-N 2.85Å; I46-L48 VanDerWaalsContact C-N 3.34Å; I46-L48 PolarHBondContact O-N 3.27Å; L48-I50 VanDerWaalsContact C-N 3.34Å; L48-I50 PolarHBondContact O-N 3.27Å; L48-L51 PolarHBondContact O-N 3.49Å; L48-I52 HydrophobicContact CG-CD1 4.2Å; L48-I52 WeakPolarHBondContact O-CG1 3.34Å; L48-I52 PolarHBondContact O-N 3Å
49	T	94.8	Very high	92.4	Very high	80 Å²	80	101.2 Å²	101.2	49%	0.491	52%	0.522	S	S	.	.	H	α-helix	trans	-61.3	-42.2	175.7	-56.5	0	0	0	0	111.7	K45 I46 L51 I52 I53	K45-T49 PolarHBondContact O-N 3.25Å; K45-T49 PolarHBondContact O-OG1 3.24Å; I46-T49 PolarHBondContact O-N 2.89Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 3.47Å; T49-I52 PolarHBondContact O-N 2.96Å; T49-I53 HydrophobicContact CG2-CD1 4.19Å; T49-I53 WeakPolarHBondContact O-CG1 3.45Å; T49-I53 PolarHBondContact O-N 3.46Å
50	I	95.2	Very high	93.3	Very high	83 Å²	83	103 Å²	103	43%	0.426	53%	0.525	S	S	.	.	H	α-helix	trans	-61.1	-44.3	175.5	-69	166.7	0	0	0	110.5	I46 L47 L48 I52 I53 I54	I46-I50 HydrophobicContact CG2-CD1 3.92Å; I46-I50 WeakPolarHBondContact O-CG1 3.27Å; I46-I50 PolarHBondContact O-N 3.3Å; L47-I50 PolarHBondContact O-N 2.97Å; L48-I50 VanDerWaalsContact C-N 3.34Å; L48-I50 PolarHBondContact O-N 3.27Å; I50-I52 VanDerWaalsContact C-N 3.33Å; I50-I52 PolarHBondContact O-N 3.46Å; I50-I53 PolarHBondContact O-N 3.44Å; I50-I54 HydrophobicContact CG2-CD1 3.81Å; I50-I54 HydrophobicContact CG2-CG1 4.45Å; I50-I54 WeakPolarHBondContact O-CG1 3.38Å; I50-I54 PolarHBondContact O-N 3.05Å
51	L	95.4	Very high	93.9	Very high	97 Å²	97	94.5 Å²	94.5	51%	0.508	49%	0.489	S	S	.	.	H	α-helix	trans	-61.5	-39.7	176.7	-72.2	170.5	0	0	0	112.4	L47 L48 T49 I54 A55	L47-L51 HydrophobicContact CG-CD1 4.41Å; L47-L51 WeakPolarHBondContact O-CG 3.36Å; L47-L51 PolarHBondContact O-N 3.32Å; L48-L51 PolarHBondContact O-N 3.49Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 3.47Å; L51-I54 PolarHBondContact O-N 2.83Å; L51-A55 WeakPolarHBondContact O-CB 3.4Å; L51-A55 PolarHBondContact O-N 2.74Å
52	I	96.1	Very high	94.4	Very high	86 Å²	86	90.9 Å²	90.9	44%	0.441	48%	0.476	S	S	.	.	H	α-helix	trans	-63.4	-44.1	175.2	-67.7	164.7	0	0	0	110.7	L48 T49 I50 I54 A55 L56	L48-I52 HydrophobicContact CG-CD1 4.2Å; L48-I52 WeakPolarHBondContact O-CG1 3.34Å; L48-I52 PolarHBondContact O-N 3Å; T49-I52 PolarHBondContact O-N 2.96Å; I50-I52 VanDerWaalsContact C-N 3.33Å; I50-I52 PolarHBondContact O-N 3.46Å; I52-I54 VanDerWaalsContact C-N 3.34Å; I52-I54 PolarHBondContact O-N 2.99Å; I52-A55 PolarHBondContact O-N 3.09Å; I52-L56 HydrophobicContact CG2-CD1 3.99Å; I52-L56 HydrophobicContact CG2-CG 4.38Å; I52-L56 WeakPolarHBondContact O-CB 3.37Å; I52-L56 WeakPolarHBondContact O-CG 3.34Å; I52-L56 PolarHBondContact O-N 3.16Å
53	I	96.2	Very high	94.7	Very high	104 Å²	104	91.7 Å²	91.7	53%	0.533	48%	0.476	S	S	.	.	H	α-helix	trans	-62	-43.1	177.1	-67.1	166.5	0	0	0	110.8	T49 I50 L56 F57	T49-I53 HydrophobicContact CG2-CD1 4.19Å; T49-I53 WeakPolarHBondContact O-CG1 3.45Å; T49-I53 PolarHBondContact O-N 3.46Å; I50-I53 PolarHBondContact O-N 3.44Å; I53-L56 PolarHBondContact O-N 3.32Å; I53-F57 WeakPolarHBondContact O-CB 3.45Å; I53-F57 PolarHBondContact O-N 3.3Å
54	I	94.5	Very high	94.9	Very high	82 Å²	82	88.6 Å²	88.6	42%	0.421	46%	0.46	S	S	.	.	H	α-helix	trans	-63	-43.7	176.2	-68.4	167.6	0	0	0	110.7	I50 L51 I52 F57 I58	I50-I54 HydrophobicContact CG2-CD1 3.81Å; I50-I54 HydrophobicContact CG2-CG1 4.45Å; I50-I54 WeakPolarHBondContact O-CG1 3.38Å; I50-I54 PolarHBondContact O-N 3.05Å; L51-I54 PolarHBondContact O-N 2.83Å; I52-I54 VanDerWaalsContact C-N 3.34Å; I52-I54 PolarHBondContact O-N 2.99Å; I54-F57 PolarHBondContact O-N 2.72Å; I54-I58 HydrophobicContact CG2-CD1 3.8Å; I54-I58 HydrophobicContact CG2-CG1 4.43Å; I54-I58 WeakPolarHBondContact O-CB 3.36Å; I54-I58 VanDerWaalsContact O-CG1 3.31Å; I54-I58 WeakPolarHBondContact O-CG1 3.36Å; I54-I58 PolarHBondContact O-N 2.51Å
55	A	95.2	Very high	95.1	Very high	60 Å²	60	82.9 Å²	82.9	50%	0.496	43%	0.43	S	S	.	.	H	α-helix	trans	-63.4	-42.3	177.2	0	0	0	0	0	112	L51 I52 I58 G59	L51-A55 WeakPolarHBondContact O-CB 3.4Å; L51-A55 PolarHBondContact O-N 2.74Å; I52-A55 PolarHBondContact O-N 3.09Å; A55-I58 PolarHBondContact O-N 3.47Å; A55-G59 PolarHBondContact O-N 3.15Å
56	L	96.4	Very high	95.1	Very high	109 Å²	109	79 Å²	79	57%	0.571	42%	0.418	S	S	*	.	H	α-helix	trans	-62.5	-45.2	173.9	-74.6	170.3	0	0	0	111.3	I52 I53 G59 I60	I52-L56 HydrophobicContact CG2-CD1 3.99Å; I52-L56 HydrophobicContact CG2-CG 4.38Å; I52-L56 WeakPolarHBondContact O-CB 3.37Å; I52-L56 WeakPolarHBondContact O-CG 3.34Å; I52-L56 PolarHBondContact O-N 3.16Å; I53-L56 PolarHBondContact O-N 3.32Å; L56-G59 PolarHBondContact O-N 2.79Å; L56-I60 WeakPolarHBondContact O-CB 3.27Å; L56-I60 VanDerWaalsContact O-CG1 3.27Å; L56-I60 WeakPolarHBondContact O-CG1 3.4Å; L56-I60 PolarHBondContact O-N 2.93Å
57	F	96.1	Very high	95.2	Very high	77 Å²	77	83.4 Å²	83.4	34%	0.338	43%	0.429	S	S	.	.	H	α-helix	trans	-57.9	-50.6	174.9	176	-98.5	0	0	0	110.7	I53 I54 G59 I60 M61 T151 V154	I53-F57 WeakPolarHBondContact O-CB 3.45Å; I53-F57 PolarHBondContact O-N 3.3Å; I54-F57 PolarHBondContact O-N 2.72Å; F57-G59 VanDerWaalsContact C-N 3.33Å; F57-G59 PolarHBondContact O-N 2.65Å; F57-I60 PolarHBondContact O-N 2.82Å; F57-M61 HydrophobicContact CD1-CG 4.02Å; F57-M61 HydrophobicContact CD2-CG 4.21Å; F57-M61 HydrophobicContact CE1-CG 3.69Å; F57-M61 HydrophobicContact CE2-CG 3.9Å; F57-M61 HydrophobicContact CE2-SD 3.95Å; F57-M61 HydrophobicContact CG-CG 4.28Å; F57-M61 HydrophobicContact CZ-CG 3.63Å; F57-M61 HydrophobicContact CZ-SD 3.95Å; F57-M61 WeakPolarHBondContact O-CB 3.5Å; F57-M61 WeakPolarHBondContact O-CG 3.45Å; F57-M61 PolarHBondContact O-N 2.82Å; F57-T151 HydrophobicContact CE2-CG2 3.92Å; F57-T151 HydrophobicContact CZ-CG2 3.83Å; F57-V154 HydrophobicContact CE1-CG2 4.36Å
58	I	95.1	Very high	95.2	Very high	78 Å²	78	79.9 Å²	79.9	40%	0.4	41%	0.411	S	S	.	.	H	α-helix	trans	-57.5	-44.8	176.7	-74.8	170.4	0	0	0	111.5	I54 A55 M61 Y62 F158	I54-I58 HydrophobicContact CG2-CD1 3.8Å; I54-I58 HydrophobicContact CG2-CG1 4.43Å; I54-I58 WeakPolarHBondContact O-CB 3.36Å; I54-I58 VanDerWaalsContact O-CG1 3.31Å; I54-I58 WeakPolarHBondContact O-CG1 3.36Å; I54-I58 PolarHBondContact O-N 2.51Å; A55-I58 PolarHBondContact O-N 3.47Å; I58-M61 PolarHBondContact O-N 3.39Å; I58-Y62 WeakPolarHBondContact O-CB 3.42Å; I58-Y62 PolarHBondContact O-N 2.85Å; I58-F158 HydrophobicContact CG2-CZ 3.99Å
59	G	96.2	Very high	95.2	Very high	38 Å²	38	78.8 Å²	78.8	39%	0.392	41%	0.405	S	S	.	.	H	α-helix	trans	-62.8	-44	178.1	0	0	0	0	0	112.8	A55 L56 F57 Y62 F63	A55-G59 PolarHBondContact O-N 3.15Å; L56-G59 PolarHBondContact O-N 2.79Å; F57-G59 VanDerWaalsContact C-N 3.33Å; F57-G59 PolarHBondContact O-N 2.65Å; G59-Y62 PolarHBondContact O-N 3.06Å; G59-F63 PolarHBondContact O-N 3.39Å
60	I	96.2	Very high	95.4	Very high	98 Å²	98	75.5 Å²	75.5	50%	0.503	39%	0.385	S	S	.	.	H	α-helix	trans	-62.8	-45.4	174.1	-68.8	165.5	0	0	0	110.2	L56 F57 Y62 F63 L64	L56-I60 WeakPolarHBondContact O-CB 3.27Å; L56-I60 VanDerWaalsContact O-CG1 3.27Å; L56-I60 WeakPolarHBondContact O-CG1 3.4Å; L56-I60 PolarHBondContact O-N 2.93Å; F57-I60 PolarHBondContact O-N 2.82Å; I60-Y62 VanDerWaalsContact C-N 3.34Å; I60-Y62 PolarHBondContact O-N 3.3Å; I60-F63 PolarHBondContact O-N 2.84Å; I60-L64 HydrophobicContact CG2-CD1 3.93Å; I60-L64 HydrophobicContact CG2-CG 4.24Å; I60-L64 WeakPolarHBondContact O-CG 3.42Å; I60-L64 PolarHBondContact O-N 2.93Å
61	M	95.4	Very high	95.5	Very high	8 Å²	8	75.4 Å²	75.4	4%	0.039	39%	0.386	C	S	.	.	H	α-helix	trans	-64	-39.5	179.7	-70	-49.7	-56.7	0	0	112	F57 I58 L64 S65 T151 V154 K155 F158	F57-M61 HydrophobicContact CD1-CG 4.02Å; F57-M61 HydrophobicContact CD2-CG 4.21Å; F57-M61 HydrophobicContact CE1-CG 3.69Å; F57-M61 HydrophobicContact CE2-CG 3.9Å; F57-M61 HydrophobicContact CE2-SD 3.95Å; F57-M61 HydrophobicContact CG-CG 4.28Å; F57-M61 HydrophobicContact CZ-CG 3.63Å; F57-M61 HydrophobicContact CZ-SD 3.95Å; F57-M61 WeakPolarHBondContact O-CB 3.5Å; F57-M61 WeakPolarHBondContact O-CG 3.45Å; F57-M61 PolarHBondContact O-N 2.82Å; I58-M61 PolarHBondContact O-N 3.39Å; M61-L64 PolarHBondContact O-N 3.44Å; M61-L64 HydrophobicContact SD-CD1 4.42Å; M61-S65 WeakPolarHBondContact O-CB 3.31Å; M61-S65 PolarHBondContact O-N 3.3Å; M61-T151 HydrophobicContact CE-CG2 4.31Å; M61-T151 WeakPolarHBondContact CE-O 3.37Å; M61-T151 HydrophobicContact SD-CG2 4.05Å; M61-V154 HydrophobicContact CB-CG1 3.75Å; M61-V154 HydrophobicContact CE-CB 4.27Å; M61-V154 HydrophobicContact CE-CG1 4.47Å; M61-V154 HydrophobicContact CG-CG1 3.99Å; M61-K155 HydrophobicContact CE-CB 4.5Å; M61-K155 HydrophobicContact CE-CD 4.07Å; M61-K155 HydrophobicContact CE-CG 3.31Å; M61-F158 HydrophobicContact CB-CE2 4.09Å
62	Y	95.5	Very high	95.6	Very high	126 Å²	126	74.1 Å²	74.1	49%	0.494	38%	0.377	S	S	.	.	H	α-helix	trans	-59.7	-51	172.3	175.6	-101.1	0	0	0	110.6	I58 G59 I60 L64 S65 T66 F158	I58-Y62 WeakPolarHBondContact O-CB 3.42Å; I58-Y62 PolarHBondContact O-N 2.85Å; G59-Y62 PolarHBondContact O-N 3.06Å; I60-Y62 VanDerWaalsContact C-N 3.34Å; I60-Y62 PolarHBondContact O-N 3.3Å; Y62-L64 PolarHBondContact O-N 2.96Å; Y62-S65 WeakPolarHBondContact O-CA 3.17Å; Y62-S65 WeakPolarHBondContact O-CB 3.36Å; Y62-S65 PolarHBondContact O-N 2.95Å; Y62-S65 PolarHBondContact O-OG 3.45Å; Y62-T66 HydrophobicContact CE1-CG2 4.18Å; Y62-T66 WeakPolarHBondContact O-CG2 3.37Å; Y62-T66 PolarHBondContact O-N 2.91Å; Y62-T66 VanDerWaalsContact O-N 3.15Å; Y62-F158 HydrophobicContact CD2-CB 4.46Å; Y62-F158 AromaticContact CD2-CD1 3.85Å; Y62-F158 HydrophobicContact CD2-CD1 3.85Å; Y62-F158 HydrophobicContact CD2-CE1 4.27Å; Y62-F158 HydrophobicContact CD2-CG 4.08Å
63	F	95.7	Very high	95.7	Very high	124 Å²	124	70 Å²	70	54%	0.544	36%	0.356	S	S	.	.	H	α-helix	trans	-59.4	-42.2	177.1	177.2	-99.7	0	0	0	112.8	G59 I60 S65 T66	G59-F63 PolarHBondContact O-N 3.39Å; I60-F63 PolarHBondContact O-N 2.84Å; F63-S65 VanDerWaalsContact C-N 3.27Å; F63-S65 PolarHBondContact O-N 2.87Å; F63-T66 PolarHBondContact O-N 3.37Å; F63-T66 PolarHBondContact O-OG1 3.26Å
64	L	94.1	Very high	95.7	Very high	60 Å²	60	69.5 Å²	69.5	31%	0.314	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-33.3	175.8	-69.6	177	0	0	0	111.9	I60 M61 Y62 T66 R67 K155	I60-L64 HydrophobicContact CG2-CD1 3.93Å; I60-L64 HydrophobicContact CG2-CG 4.24Å; I60-L64 WeakPolarHBondContact O-CG 3.42Å; I60-L64 PolarHBondContact O-N 2.93Å; M61-L64 PolarHBondContact O-N 3.44Å; M61-L64 HydrophobicContact SD-CD1 4.42Å; Y62-L64 PolarHBondContact O-N 2.96Å; L64-T66 VanDerWaalsContact C-N 3.29Å; L64-T66 PolarHBondContact O-N 3.44Å; L64-R67 PolarHBondContact O-N 3.42Å; L64-K155 HydrophobicContact CB-CD 4.32Å
65	S	93.8	Very high	95.9	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-70.8	-21.4	176.4	83.3	0	0	0	0	113.4	M61 Y62 F63 R67 D68 F158 R162	M61-S65 WeakPolarHBondContact O-CB 3.31Å; M61-S65 PolarHBondContact O-N 3.3Å; Y62-S65 WeakPolarHBondContact O-CA 3.17Å; Y62-S65 WeakPolarHBondContact O-CB 3.36Å; Y62-S65 PolarHBondContact O-N 2.95Å; Y62-S65 PolarHBondContact O-OG 3.45Å; F63-S65 VanDerWaalsContact C-N 3.27Å; F63-S65 PolarHBondContact O-N 2.87Å; S65-R67 PolarHBondContact O-N 3.02Å; S65-D68 PolarHBondContact O-N 3.39Å; S65-F158 VanDerWaalsContact OG-CB 3.27Å; S65-F158 WeakPolarHBondContact OG-CB 3.33Å; S65-R162 PolarHBondContact O-NH2 3.01Å
66	T	93.7	Very high	96	Very high	63 Å²	63	68.3 Å²	68.3	39%	0.387	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.9	179.3	67.9	0	0	0	0	112.8	Y62 F63 L64 D68	Y62-T66 HydrophobicContact CE1-CG2 4.18Å; Y62-T66 WeakPolarHBondContact O-CG2 3.37Å; Y62-T66 PolarHBondContact O-N 2.91Å; Y62-T66 VanDerWaalsContact O-N 3.15Å; F63-T66 PolarHBondContact O-N 3.37Å; F63-T66 PolarHBondContact O-OG1 3.26Å; L64-T66 VanDerWaalsContact C-N 3.29Å; L64-T66 PolarHBondContact O-N 3.44Å; T66-D68 VanDerWaalsContact C-N 3.25Å; T66-D68 PolarHBondContact O-N 2.92Å
67	R	93.8	Very high	96.1	Very high	182 Å²	182	66.6 Å²	66.6	69%	0.687	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-26.1	174.7	-64.1	-178	175.5	-172.8	-2.3	112.5	L64 S65 N69	L64-R67 PolarHBondContact O-N 3.42Å; S65-R67 PolarHBondContact O-N 3.02Å; R67-N69 PolarHBondContact O-N 3.42Å
68	D	94.8	Very high	96.2	Very high	27 Å²	27	69.6 Å²	69.6	14%	0.144	34%	0.337	C	S	.	.	S	Bend	trans	-82.7	104.1	-179.3	-55	-65.5	0	0	0	109.4	S65 T66 V70 F143 Y144 V159 R162	S65-D68 PolarHBondContact O-N 3.39Å; T66-D68 VanDerWaalsContact C-N 3.25Å; T66-D68 PolarHBondContact O-N 2.92Å; D68-V70 PolarHBondContact O-N 3.13Å; D68-F143 HydrophobicContact CB-CD1 3.86Å; D68-F143 HydrophobicContact CB-CE1 4.03Å; D68-F143 HydrophobicContact CB-CG 4.21Å; D68-Y144 VanDerWaalsContact CG-OH 3.27Å; D68-Y144 PolarHBondContact OD2-OH 3.26Å; D68-V159 HydrophobicContact CB-CG2 4.06Å; D68-R162 VanDerWaalsContact O-CZ 3.29Å; D68-R162 PolarHBondContact O-NH1 2.9Å; D68-R162 PolarHBondContact O-NH2 3.05Å
69	N	96.2	Very high	96.3	Very high	72 Å²	72	68.7 Å²	68.7	39%	0.385	33%	0.33	S	S	.	.			trans	-77.9	115	-179.8	-175.2	4.1	0	0	0	110.8	R67 D71 E72 F143	R67-N69 PolarHBondContact O-N 3.42Å; N69-D71 PolarHBondContact O-N 3.2Å; N69-D71 WeakPolarHBondContact OD1-CB 3.39Å; N69-D71 PolarHBondContact OD1-N 3.06Å; N69-D71 PolarHBondContact OD1-OD2 3.47Å; N69-E72 HydrophobicContact CB-CG 4.17Å; N69-E72 WeakPolarHBondContact O-CB 3.34Å; N69-E72 WeakPolarHBondContact O-CG 3.33Å; N69-E72 PolarHBondContact O-N 3.36Å; N69-E72 VanDerWaalsContact O-N 3.16Å; N69-F143 WeakPolarHBondContact O-CZ 3.47Å
70	V	97.3	Very high	96.3	Very high	11 Å²	11	73.1 Å²	73.1	7%	0.067	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-67.9	-19.7	-178.5	-64.9	0	0	0	0	113	D68 E72 L73 V159 R162 V163 Q166 Y167	D68-V70 PolarHBondContact O-N 3.13Å; V70-E72 PolarHBondContact O-N 2.96Å; V70-L73 WeakPolarHBondContact O-CB 3.35Å; V70-L73 PolarHBondContact O-N 3.33Å; V70-V159 HydrophobicContact CG1-CG1 3.96Å; V70-R162 HydrophobicContact CG1-CB 3.99Å; V70-V163 HydrophobicContact CB-CG2 4.13Å; V70-V163 HydrophobicContact CG1-CG2 3.6Å; V70-Q166 HydrophobicContact CG2-CB 4.31Å; V70-Q166 HydrophobicContact CG2-CG 4.33Å; V70-Y167 HydrophobicContact CB-CE2 4.34Å; V70-Y167 WeakPolarHBondContact O-CE2 2.96Å; V70-Y167 PolarHBondContact O-OH 2.85Å
71	D	97.7	Very high	96.3	Very high	82 Å²	82	70 Å²	70	44%	0.439	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-63.5	-23.4	174.6	-64.6	-28.7	0	0	0	112.1	N69 L73 R74 Y167	N69-D71 PolarHBondContact O-N 3.2Å; N69-D71 WeakPolarHBondContact OD1-CB 3.39Å; N69-D71 PolarHBondContact OD1-N 3.06Å; N69-D71 PolarHBondContact OD1-OD2 3.47Å; D71-L73 PolarHBondContact O-N 3.24Å; D71-R74 WeakPolarHBondContact O-CB 3.46Å; D71-R74 PolarHBondContact O-N 3.19Å; D71-Y167 VanDerWaalsContact CA-OH 3.32Å; D71-Y167 WeakPolarHBondContact CA-OH 3.49Å
72	E	97.4	Very high	96.4	Very high	69 Å²	69	72 Å²	72	32%	0.322	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-64	-22.8	177.8	-64.2	-163.3	-140.8	0	0	113.4	N69 V70 R74 K75 Y142	N69-E72 HydrophobicContact CB-CG 4.17Å; N69-E72 WeakPolarHBondContact O-CB 3.34Å; N69-E72 WeakPolarHBondContact O-CG 3.33Å; N69-E72 PolarHBondContact O-N 3.36Å; N69-E72 VanDerWaalsContact O-N 3.16Å; V70-E72 PolarHBondContact O-N 2.96Å; E72-R74 PolarHBondContact O-N 3.15Å; E72-R74 VanDerWaalsContact O-N 3.15Å; E72-K75 HydrophobicContact CB-CD 4.49Å; E72-K75 VanDerWaalsContact O-CB 3.22Å; E72-K75 WeakPolarHBondContact O-CB 3.32Å; E72-K75 VanDerWaalsContact O-CG 3.31Å; E72-K75 WeakPolarHBondContact O-CG 3.35Å; E72-K75 PolarHBondContact O-N 2.77Å; E72-K75 IonicContact OE2-NZ 2.74Å; E72-K75 PolarHBondContact OE2-NZ 3.23Å; E72-Y142 HydrophobicContact CB-CE1 3.74Å; E72-Y142 WeakPolarHBondContact CB-OH 3.36Å; E72-Y142 PolarHBondContact O-OH 2.69Å
73	L	97.9	Very high	96.6	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-57.7	-29	175.9	-67.7	178	0	0	0	112.5	V70 D71 K75 I76 V138 Y142 F143 V163 Y167 F175	V70-L73 WeakPolarHBondContact O-CB 3.35Å; V70-L73 PolarHBondContact O-N 3.33Å; D71-L73 PolarHBondContact O-N 3.24Å; L73-K75 PolarHBondContact O-N 3.26Å; L73-K75 VanDerWaalsContact O-N 3.14Å; L73-I76 HydrophobicContact CD2-CD1 4.08Å; L73-I76 VanDerWaalsContact O-CB 3.27Å; L73-I76 WeakPolarHBondContact O-CB 3.45Å; L73-I76 VanDerWaalsContact O-CG1 3.31Å; L73-I76 WeakPolarHBondContact O-CG1 3.44Å; L73-I76 PolarHBondContact O-N 3.25Å; L73-V138 HydrophobicContact CD1-CG1 4Å; L73-V138 HydrophobicContact CD2-CG1 3.77Å; L73-Y142 HydrophobicContact CD2-CD1 3.82Å; L73-Y142 HydrophobicContact CD2-CD2 3.89Å; L73-Y142 HydrophobicContact CD2-CE1 4.42Å; L73-Y142 HydrophobicContact CD2-CE2 4.46Å; L73-Y142 HydrophobicContact CD2-CG 3.53Å; L73-F143 HydrophobicContact CD2-CE2 4.09Å; L73-F143 HydrophobicContact CD2-CZ 4.47Å; L73-F143 HydrophobicContact CG-CE2 4.33Å; L73-F143 HydrophobicContact CG-CZ 4.47Å; L73-V163 HydrophobicContact CD1-CB 4.48Å; L73-V163 HydrophobicContact CD1-CG1 4Å; L73-V163 HydrophobicContact CD1-CG2 3.63Å; L73-Y167 HydrophobicContact CB-CE2 4.33Å; L73-Y167 HydrophobicContact CD1-CD2 4.44Å; L73-Y167 HydrophobicContact CD1-CE2 4.03Å; L73-F175 HydrophobicContact CB-CD2 3.89Å; L73-F175 HydrophobicContact CB-CE2 3.84Å; L73-F175 HydrophobicContact CB-CG 4.25Å; L73-F175 HydrophobicContact CB-CZ 4.17Å; L73-F175 HydrophobicContact CD1-CD2 4Å; L73-F175 HydrophobicContact CD1-CE2 4.29Å; L73-F175 HydrophobicContact CG-CD2 4.48Å
74	R	98	Very high	96.7	Very high	94 Å²	94	61.9 Å²	61.9	36%	0.355	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-59.1	-24.2	173.6	-71.5	-67.6	-169.6	-162.2	-6.7	113.4	D71 E72 I76 E77 Y167 E171	D71-R74 WeakPolarHBondContact O-CB 3.46Å; D71-R74 PolarHBondContact O-N 3.19Å; E72-R74 PolarHBondContact O-N 3.15Å; E72-R74 VanDerWaalsContact O-N 3.15Å; R74-I76 PolarHBondContact O-N 3.38Å; R74-I76 VanDerWaalsContact O-N 3.11Å; R74-E77 VanDerWaalsContact CD-OE1 3.26Å; R74-E77 WeakPolarHBondContact CD-OE1 3.31Å; R74-E77 IonicContact CZ-OE1 3.24Å; R74-E77 IonicContact NE-OE1 3.46Å; R74-E77 IonicContact NH1-OE1 2.66Å; R74-E77 PolarHBondContact NH1-OE1 3.21Å; R74-E77 IonicContact NH1-OE2 2.93Å; R74-E77 WeakPolarHBondContact O-CB 3.46Å; R74-E77 PolarHBondContact O-N 3.2Å; R74-Y167 HydrophobicContact CG-CE1 4.23Å; R74-E171 IonicContact CZ-OE1 3.96Å; R74-E171 VanDerWaalsContact CZ-OE1 3.24Å; R74-E171 IonicContact NH1-OE1 2.68Å; R74-E171 PolarHBondContact NH1-OE1 3.11Å; R74-E171 IonicContact NH2-OE1 3.02Å; R74-E171 PolarHBondContact NH2-OE1 3.37Å
75	K	97.8	Very high	96.9	Very high	114 Å²	114	59 Å²	59	50%	0.496	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-60.6	-21.4	174.8	-62.1	176.1	-172.8	165	0	112.4	E72 L73 E77 N78	E72-K75 HydrophobicContact CB-CD 4.49Å; E72-K75 VanDerWaalsContact O-CB 3.22Å; E72-K75 WeakPolarHBondContact O-CB 3.32Å; E72-K75 VanDerWaalsContact O-CG 3.31Å; E72-K75 WeakPolarHBondContact O-CG 3.35Å; E72-K75 PolarHBondContact O-N 2.77Å; E72-K75 IonicContact OE2-NZ 2.74Å; E72-K75 PolarHBondContact OE2-NZ 3.23Å; L73-K75 PolarHBondContact O-N 3.26Å; L73-K75 VanDerWaalsContact O-N 3.14Å; K75-E77 PolarHBondContact O-N 3.45Å; K75-N78 WeakPolarHBondContact O-CB 3.22Å; K75-N78 PolarHBondContact O-N 2.85Å
76	I	97.8	Very high	97.1	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-63.4	-31	175	-63.5	165.7	0	0	0	111.2	L73 R74 N78 K79 F82 Y142 F175 N178 N179	L73-I76 HydrophobicContact CD2-CD1 4.08Å; L73-I76 VanDerWaalsContact O-CB 3.27Å; L73-I76 WeakPolarHBondContact O-CB 3.45Å; L73-I76 VanDerWaalsContact O-CG1 3.31Å; L73-I76 WeakPolarHBondContact O-CG1 3.44Å; L73-I76 PolarHBondContact O-N 3.25Å; R74-I76 PolarHBondContact O-N 3.38Å; R74-I76 VanDerWaalsContact O-N 3.11Å; I76-N78 PolarHBondContact O-N 3.49Å; I76-K79 HydrophobicContact CG2-CD 4.48Å; I76-K79 WeakPolarHBondContact O-CB 3.48Å; I76-K79 WeakPolarHBondContact O-CG 3.44Å; I76-K79 PolarHBondContact O-N 2.96Å; I76-F82 HydrophobicContact CG2-CD2 4.25Å; I76-F82 HydrophobicContact CG2-CE2 4.36Å; I76-Y142 HydrophobicContact CD1-CD2 3.81Å; I76-Y142 HydrophobicContact CD1-CE2 4.15Å; I76-Y142 HydrophobicContact CG1-CD2 4Å; I76-Y142 HydrophobicContact CG1-CE2 3.9Å; I76-F175 HydrophobicContact CB-CD1 4.24Å; I76-F175 HydrophobicContact CD1-CB 3.77Å; I76-F175 HydrophobicContact CD1-CD1 4.11Å; I76-F175 HydrophobicContact CD1-CG 4.14Å; I76-N178 HydrophobicContact CG2-CB 3.62Å; I76-N178 WeakPolarHBondContact CG2-O 3.4Å; I76-N179 HydrophobicContact CD1-CB 3.83Å; I76-N179 HydrophobicContact CG1-CB 4.21Å; I76-N179 HydrophobicContact CG2-CB 4.38Å
77	E	97.8	Very high	97.4	Very high	74 Å²	74	62.4 Å²	62.4	35%	0.346	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-67.7	-17.9	179.9	-58.4	178.1	179.2	0	0	112.6	R74 K75 K79 F82 F175	R74-E77 VanDerWaalsContact CD-OE1 3.26Å; R74-E77 WeakPolarHBondContact CD-OE1 3.31Å; R74-E77 IonicContact CZ-OE1 3.24Å; R74-E77 IonicContact NE-OE1 3.46Å; R74-E77 IonicContact NH1-OE1 2.66Å; R74-E77 PolarHBondContact NH1-OE1 3.21Å; R74-E77 IonicContact NH1-OE2 2.93Å; R74-E77 WeakPolarHBondContact O-CB 3.46Å; R74-E77 PolarHBondContact O-N 3.2Å; K75-E77 PolarHBondContact O-N 3.45Å; E77-K79 VanDerWaalsContact C-N 3.26Å; E77-K79 PolarHBondContact O-N 3.32Å; E77-F82 HydrophobicContact CB-CE1 4.46Å; E77-F82 HydrophobicContact CB-CE2 4.43Å; E77-F82 HydrophobicContact CB-CZ 4.38Å; E77-F82 HydrophobicContact CG-CE1 4.24Å; E77-F82 HydrophobicContact CG-CE2 3.93Å; E77-F82 HydrophobicContact CG-CZ 3.77Å; E77-F175 HydrophobicContact CG-CE1 4.19Å
78	N	97.9	Very high	97.6	Very high	140 Å²	140	53.8 Å²	53.8	75%	0.749	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-79.8	-3.4	177.1	-62.2	-31.6	0	0	0	113.5	K75 I76	K75-N78 WeakPolarHBondContact O-CB 3.22Å; K75-N78 PolarHBondContact O-N 2.85Å; I76-N78 PolarHBondContact O-N 3.49Å
79	K	97.5	Very high	97.7	Very high	58 Å²	58	53.4 Å²	53.4	25%	0.252	28%	0.28	S	S	.	.	S	Bend	trans	-68.9	134.7	176.1	-67.6	-176.1	-178.1	-175.4	0	109.7	I76 E77 S81 F82 N178 N179 T188	I76-K79 HydrophobicContact CG2-CD 4.48Å; I76-K79 WeakPolarHBondContact O-CB 3.48Å; I76-K79 WeakPolarHBondContact O-CG 3.44Å; I76-K79 PolarHBondContact O-N 2.96Å; E77-K79 VanDerWaalsContact C-N 3.26Å; E77-K79 PolarHBondContact O-N 3.32Å; K79-S81 PolarHBondContact O-N 2.85Å; K79-F82 HydrophobicContact CB-CB 4.37Å; K79-F82 WeakPolarHBondContact O-CB 3.48Å; K79-F82 PolarHBondContact O-N 2.89Å; K79-N178 WeakPolarHBondContact CD-O 3.3Å; K79-N178 WeakPolarHBondContact CE-O 3.29Å; K79-N178 PolarHBondContact NZ-O 2.91Å; K79-N179 PolarHBondContact NZ-OD1 2.76Å; K79-T188 HydrophobicContact CB-CG2 4.22Å; K79-T188 HydrophobicContact CD-CG2 3.67Å
80	S	96	Very high	97.8	Very high	132 Å²	132	55 Å²	55	92%	0.923	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.8	-176.3	55.7	0	0	0	0	114.2
81	S	96.7	Very high	97.9	Very high	31 Å²	31	56.6 Å²	56.6	22%	0.217	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	23.2	176.3	51	0	0	0	0	112.5	K79 V83 T188 E190	K79-S81 PolarHBondContact O-N 2.85Å; S81-V83 PolarHBondContact O-N 3.23Å; S81-T188 WeakPolarHBondContact CB-OG1 3.41Å; S81-T188 WeakPolarHBondContact OG-CB 3.16Å; S81-T188 WeakPolarHBondContact OG-CG2 3.35Å; S81-T188 PolarHBondContact OG-OG1 3.14Å; S81-E190 VanDerWaalsContact O-CB 3.3Å; S81-E190 WeakPolarHBondContact O-CB 3.15Å
82	F	98.4	Very high	97.9	Very high	52 Å²	52	52.7 Å²	52.7	23%	0.228	27%	0.269	C	S	.	.			trans	-69	127.4	175.5	179.1	-91.9	0	0	0	110.9	I76 E77 K79 N178	I76-F82 HydrophobicContact CG2-CD2 4.25Å; I76-F82 HydrophobicContact CG2-CE2 4.36Å; E77-F82 HydrophobicContact CB-CE1 4.46Å; E77-F82 HydrophobicContact CB-CE2 4.43Å; E77-F82 HydrophobicContact CB-CZ 4.38Å; E77-F82 HydrophobicContact CG-CE1 4.24Å; E77-F82 HydrophobicContact CG-CE2 3.93Å; E77-F82 HydrophobicContact CG-CZ 3.77Å; K79-F82 HydrophobicContact CB-CB 4.37Å; K79-F82 WeakPolarHBondContact O-CB 3.48Å; K79-F82 PolarHBondContact O-N 2.89Å; F82-N178 WeakPolarHBondContact CA-OD1 3.27Å; F82-N178 HydrophobicContact CD2-CB 3.66Å; F82-N178 VanDerWaalsContact CD2-CG 3.46Å; F82-N178 HydrophobicContact CE2-CB 4.05Å
83	V	98.4	Very high	98	Very high	11 Å²	11	49.9 Å²	49.9	7%	0.067	26%	0.256	C	S	.	.			trans	-126.8	125.3	167.8	178.6	0	0	0	0	108	S81 N87 M88 N178 E190 V201 N202	S81-V83 PolarHBondContact O-N 3.23Å; V83-N87 HydrophobicContact CG1-CB 4.05Å; V83-M88 HydrophobicContact CB-CE 4.06Å; V83-M88 HydrophobicContact CG1-CE 4.1Å; V83-M88 HydrophobicContact CG1-CG 4.14Å; V83-M88 WeakPolarHBondContact O-CE 3.19Å; V83-N178 PolarHBondContact N-OD1 2.98Å; V83-N178 PolarHBondContact O-ND2 2.87Å; V83-E190 HydrophobicContact CG2-CB 3.79Å; V83-E190 HydrophobicContact CG2-CG 3.88Å; V83-V201 HydrophobicContact CB-CG2 4.16Å; V83-V201 HydrophobicContact CG1-CG2 4.19Å; V83-V201 HydrophobicContact CG2-CG2 4.36Å; V83-N202 HydrophobicContact CG1-CB 4.17Å; V83-N202 HydrophobicContact CG2-CB 4.35Å
84	S	98.4	Very high	98	Very high	25 Å²	25	49.9 Å²	49.9	18%	0.175	26%	0.256	C	S	.	.			trans	-62.9	141.6	173.3	172	0	0	0	0	110.2	D86 N87	S84-D86 PolarHBondContact O-N 3.34Å; S84-D86 VanDerWaalsContact O-N 3.16Å; S84-D86 PolarHBondContact OG-N 3.48Å; S84-D86 PolarHBondContact OG-OD2 2.92Å; S84-N87 WeakPolarHBondContact O-CA 3.48Å; S84-N87 WeakPolarHBondContact O-CB 3.28Å; S84-N87 PolarHBondContact O-N 3.43Å
85	A	98.5	Very high	98.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-55.5	-29.3	173.2	0	0	0	0	0	112.4	N87 M88 K93 L173 S174	A85-N87 PolarHBondContact O-N 3.48Å; A85-M88 PolarHBondContact O-N 2.83Å; A85-M88 VanDerWaalsContact O-N 3.13Å; A85-K93 HydrophobicContact CB-CD 4.17Å; A85-K93 WeakPolarHBondContact O-CD 3.42Å; A85-L173 HydrophobicContact CB-CB 4.12Å; A85-L173 HydrophobicContact CB-CD2 3.96Å; A85-L173 HydrophobicContact CB-CG 3.99Å; A85-S174 WeakPolarHBondContact CB-OG 3.41Å; A85-S174 PolarHBondContact N-OG 2.78Å
86	D	98.2	Very high	98.1	Very high	72 Å²	72	40 Å²	40	39%	0.385	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-62.8	-27.2	174.4	-63.9	-55.2	0	0	0	112.9	S84 N170 K203	S84-D86 PolarHBondContact O-N 3.34Å; S84-D86 VanDerWaalsContact O-N 3.16Å; S84-D86 PolarHBondContact OG-N 3.48Å; S84-D86 PolarHBondContact OG-OD2 2.92Å; D86-N170 WeakPolarHBondContact OD1-CB 3.46Å; D86-N170 PolarHBondContact OD1-ND2 2.93Å; D86-K203 WeakPolarHBondContact O-CE 3.32Å; D86-K203 PolarHBondContact O-NZ 3.02Å
87	N	98.3	Very high	98.1	Very high	63 Å²	63	40 Å²	40	34%	0.337	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-93.9	8.8	179.1	-67.1	-34.3	0	0	0	112.9	V83 S84 A85 K203 N204	V83-N87 HydrophobicContact CG1-CB 4.05Å; S84-N87 WeakPolarHBondContact O-CA 3.48Å; S84-N87 WeakPolarHBondContact O-CB 3.28Å; S84-N87 PolarHBondContact O-N 3.43Å; A85-N87 PolarHBondContact O-N 3.48Å; N87-K203 WeakPolarHBondContact O-CG 3.32Å; N87-K203 PolarHBondContact O-N 3.34Å; N87-N204 PolarHBondContact OD1-ND2 2.79Å
88	M	98.6	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-100.8	148.4	175.8	-59.9	-177.8	-170.1	0	0	111.6	V83 A85 V92 K93 L177 L189 V201	V83-M88 HydrophobicContact CB-CE 4.06Å; V83-M88 HydrophobicContact CG1-CE 4.1Å; V83-M88 HydrophobicContact CG1-CG 4.14Å; V83-M88 WeakPolarHBondContact O-CE 3.19Å; A85-M88 PolarHBondContact O-N 2.83Å; A85-M88 VanDerWaalsContact O-N 3.13Å; M88-V92 HydrophobicContact CB-CB 4.3Å; M88-V92 HydrophobicContact CB-CG1 4.37Å; M88-V92 HydrophobicContact SD-CG1 4.03Å; M88-K93 HydrophobicContact CB-CG 4.25Å; M88-L177 HydrophobicContact CE-CB 4.31Å; M88-L177 HydrophobicContact CE-CD1 4Å; M88-L177 HydrophobicContact SD-CD1 3.56Å; M88-L177 VanDerWaalsContact SD-CD1 3.56Å; M88-L189 HydrophobicContact CE-CD2 4.29Å; M88-L189 HydrophobicContact SD-CD2 3.96Å; M88-V201 WeakPolarHBondContact CA-O 2.94Å; M88-V201 HydrophobicContact CE-CG2 3.86Å; M88-V201 HydrophobicContact CG-CB 4.42Å; M88-V201 HydrophobicContact CG-CG2 4.1Å; M88-V201 HydrophobicContact SD-CG2 4.17Å
89	P	98.2	Very high	97.8	Very high	20 Å²	20	31 Å²	31	13%	0.13	17%	0.17	C	C	.	.			trans	-59.7	150.3	167.3	-19.5	29.9	0	0	0	112	Y91 V92 K93 V201 K203	P89-Y91 VanDerWaalsContact C-N 3.3Å; P89-Y91 HydrophobicContact CB-CD1 3.81Å; P89-Y91 HydrophobicContact CB-CE1 3.35Å; P89-Y91 HydrophobicContact CB-CE2 4.12Å; P89-Y91 HydrophobicContact CB-CG 4.37Å; P89-Y91 HydrophobicContact CG-CE1 4.08Å; P89-Y91 HydrophobicContact CG-CE2 4.42Å; P89-Y91 PolarHBondContact O-N 3.13Å; P89-V92 HydrophobicContact CB-CG2 4.06Å; P89-V92 HydrophobicContact CG-CG2 3.95Å; P89-V92 WeakPolarHBondContact O-CB 3.3Å; P89-V92 PolarHBondContact O-N 3Å; P89-K93 PolarHBondContact O-N 3.32Å; P89-V201 VanDerWaalsContact CD-O 3.23Å; P89-V201 WeakPolarHBondContact CD-O 3.49Å; P89-K203 HydrophobicContact CG-CB 4.05Å
90	E	98.1	Very high	97.6	Very high	105 Å²	105	30 Å²	30	49%	0.491	17%	0.166	S	C	.	.	H	α-helix	trans	-59.8	-37.4	-178.2	-68.3	-52.9	131.6	0	0	113.1	V92 K93 G94	E90-V92 PolarHBondContact O-N 3.2Å; E90-K93 VanDerWaalsContact CD-CE 3.42Å; E90-K93 PolarHBondContact O-N 3.03Å; E90-K93 WeakPolarHBondContact OE1-CE 3.43Å; E90-K93 IonicContact OE1-NZ 3.21Å; E90-K93 PolarHBondContact OE1-NZ 3.08Å; E90-K93 WeakPolarHBondContact OE2-CE 3.23Å; E90-K93 IonicContact OE2-NZ 2.76Å; E90-K93 PolarHBondContact OE2-NZ 2.68Å; E90-G94 WeakPolarHBondContact O-CA 3.4Å; E90-G94 PolarHBondContact O-N 3.42Å
91	Y	98.6	Very high	97.6	Very high	45 Å²	45	24.2 Å²	24.2	18%	0.176	13%	0.125	C	C	.	.	H	α-helix	trans	-66.1	-26.8	177.4	61.9	-101.3	0	0	0	112.8	P89 A95 I211 V213 M249	P89-Y91 VanDerWaalsContact C-N 3.3Å; P89-Y91 HydrophobicContact CB-CD1 3.81Å; P89-Y91 HydrophobicContact CB-CE1 3.35Å; P89-Y91 HydrophobicContact CB-CE2 4.12Å; P89-Y91 HydrophobicContact CB-CG 4.37Å; P89-Y91 HydrophobicContact CG-CE1 4.08Å; P89-Y91 HydrophobicContact CG-CE2 4.42Å; P89-Y91 PolarHBondContact O-N 3.13Å; Y91-A95 PolarHBondContact O-N 2.7Å; Y91-I211 HydrophobicContact CE2-CG2 4.36Å; Y91-I211 WeakPolarHBondContact CE2-O 3.33Å; Y91-I211 PolarHBondContact OH-O 3.31Å; Y91-V213 HydrophobicContact CD1-CG2 4.33Å; Y91-V213 HydrophobicContact CD2-CG2 3.94Å; Y91-V213 HydrophobicContact CE2-CG2 4.48Å; Y91-V213 HydrophobicContact CG-CG2 3.88Å; Y91-M249 VanDerWaalsContact O-CE 3.23Å; Y91-M249 WeakPolarHBondContact O-CE 3.46Å
92	V	98.7	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.1	-53.4	176.2	178.2	0	0	0	0	109.2	M88 P89 E90 G94 A95 F96 L189 V201 I211	M88-V92 HydrophobicContact CB-CB 4.3Å; M88-V92 HydrophobicContact CB-CG1 4.37Å; M88-V92 HydrophobicContact SD-CG1 4.03Å; P89-V92 HydrophobicContact CB-CG2 4.06Å; P89-V92 HydrophobicContact CG-CG2 3.95Å; P89-V92 WeakPolarHBondContact O-CB 3.3Å; P89-V92 PolarHBondContact O-N 3Å; E90-V92 PolarHBondContact O-N 3.2Å; V92-G94 PolarHBondContact O-N 3.44Å; V92-A95 PolarHBondContact O-N 3.03Å; V92-F96 VanDerWaalsContact O-CD2 3.32Å; V92-F96 WeakPolarHBondContact O-CD2 3.26Å; V92-L189 HydrophobicContact CG1-CD2 3.56Å; V92-V201 HydrophobicContact CG1-CB 4.32Å; V92-V201 HydrophobicContact CG1-CG1 4.32Å; V92-I211 HydrophobicContact CG2-CG2 3.48Å; V92-I211 VanDerWaalsContact CG2-CG2 3.48Å
93	K	98.6	Very high	97.2	Very high	10 Å²	10	25.2 Å²	25.2	4%	0.043	13%	0.126	C	C	.	.	H	α-helix	trans	-56.7	-44.5	174.3	-68.1	-174.7	-73.3	177.5	0	110.9	A85 M88 P89 E90 A95 F96 I97 L173	A85-K93 HydrophobicContact CB-CD 4.17Å; A85-K93 WeakPolarHBondContact O-CD 3.42Å; M88-K93 HydrophobicContact CB-CG 4.25Å; P89-K93 PolarHBondContact O-N 3.32Å; E90-K93 VanDerWaalsContact CD-CE 3.42Å; E90-K93 PolarHBondContact O-N 3.03Å; E90-K93 WeakPolarHBondContact OE1-CE 3.43Å; E90-K93 IonicContact OE1-NZ 3.21Å; E90-K93 PolarHBondContact OE1-NZ 3.08Å; E90-K93 WeakPolarHBondContact OE2-CE 3.23Å; E90-K93 IonicContact OE2-NZ 2.76Å; E90-K93 PolarHBondContact OE2-NZ 2.68Å; K93-A95 VanDerWaalsContact C-N 3.33Å; K93-A95 PolarHBondContact O-N 2.99Å; K93-F96 PolarHBondContact O-N 3.11Å; K93-I97 HydrophobicContact CB-CD1 4.15Å; K93-I97 WeakPolarHBondContact O-CG1 3.38Å; K93-I97 PolarHBondContact O-N 3.28Å; K93-L173 HydrophobicContact CB-CD2 4Å; K93-L173 HydrophobicContact CD-CD2 3.8Å; K93-L173 HydrophobicContact CG-CD2 3.79Å
94	G	98.4	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-53.4	-45.7	178.5	0	0	0	0	0	113.1	E90 V92 F96 I97 S98	E90-G94 WeakPolarHBondContact O-CA 3.4Å; E90-G94 PolarHBondContact O-N 3.42Å; V92-G94 PolarHBondContact O-N 3.44Å; G94-F96 PolarHBondContact O-N 2.85Å; G94-F96 VanDerWaalsContact O-N 3.16Å; G94-I97 PolarHBondContact O-N 3.27Å; G94-S98 VanDerWaalsContact O-CB 3.25Å; G94-S98 WeakPolarHBondContact O-CB 3.38Å; G94-S98 PolarHBondContact O-N 2.66Å; G94-S98 PolarHBondContact O-OG 2.72Å
95	A	98.6	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.9	-33.1	-179.3	0	0	0	0	0	114	Y91 V92 K93 M99 A220 N245 M249	Y91-A95 PolarHBondContact O-N 2.7Å; V92-A95 PolarHBondContact O-N 3.03Å; K93-A95 VanDerWaalsContact C-N 3.33Å; K93-A95 PolarHBondContact O-N 2.99Å; A95-M99 WeakPolarHBondContact O-CB 3.31Å; A95-A220 HydrophobicContact CB-CB 3.86Å; A95-A220 WeakPolarHBondContact O-CB 3.32Å; A95-N245 PolarHBondContact O-ND2 2.99Å; A95-N245 PolarHBondContact O-OD1 2.92Å; A95-M249 HydrophobicContact CB-CE 3.84Å; A95-M249 HydrophobicContact CB-SD 3.72Å
96	F	98.2	Very high	97	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-86.3	-47.1	177.3	-66	-92.5	0	0	0	111.5	V92 K93 G94 S98 M99 E100 Y176 L177 I180 F182 L189 L219 A220 V223	V92-F96 VanDerWaalsContact O-CD2 3.32Å; V92-F96 WeakPolarHBondContact O-CD2 3.26Å; K93-F96 PolarHBondContact O-N 3.11Å; G94-F96 PolarHBondContact O-N 2.85Å; G94-F96 VanDerWaalsContact O-N 3.16Å; F96-S98 PolarHBondContact O-N 2.93Å; F96-M99 PolarHBondContact O-N 3.1Å; F96-E100 WeakPolarHBondContact O-CB 3.45Å; F96-E100 PolarHBondContact O-N 3.36Å; F96-Y176 HydrophobicContact CB-CE1 4.24Å; F96-Y176 AromaticContact CD1-CE1 3.93Å; F96-Y176 HydrophobicContact CD1-CE1 3.93Å; F96-Y176 HydrophobicContact CG-CE1 4.43Å; F96-L177 HydrophobicContact CB-CD2 3.94Å; F96-L177 HydrophobicContact CD1-CD2 3.53Å; F96-L177 HydrophobicContact CD2-CD2 3.45Å; F96-L177 VanDerWaalsContact CD2-CD2 3.45Å; F96-L177 HydrophobicContact CE1-CD2 3.85Å; F96-L177 HydrophobicContact CE2-CD2 3.82Å; F96-L177 HydrophobicContact CG-CD2 3.33Å; F96-L177 HydrophobicContact CZ-CD2 4.02Å; F96-I180 HydrophobicContact CD1-CD1 4.22Å; F96-I180 HydrophobicContact CE1-CD1 3.96Å; F96-F182 AromaticContact CE1-CE1 3.69Å; F96-F182 HydrophobicContact CE1-CE1 3.69Å; F96-F182 AromaticContact CE1-CZ 3.97Å; F96-F182 HydrophobicContact CE1-CZ 3.97Å; F96-F182 AromaticContact CZ-CE1 3.73Å; F96-F182 HydrophobicContact CZ-CE1 3.73Å; F96-F182 HydrophobicContact CZ-CZ 4.04Å; F96-L189 HydrophobicContact CD2-CD2 4.46Å; F96-L189 HydrophobicContact CE2-CD1 3.85Å; F96-L189 HydrophobicContact CE2-CD2 3.63Å; F96-L189 HydrophobicContact CE2-CG 4.4Å; F96-L189 HydrophobicContact CZ-CD1 3.52Å; F96-L189 HydrophobicContact CZ-CD2 4.06Å; F96-L189 HydrophobicContact CZ-CG 4.4Å; F96-L219 HydrophobicContact CZ-CB 4.26Å; F96-A220 HydrophobicContact CD1-CB 3.82Å; F96-A220 HydrophobicContact CD2-CB 4.09Å; F96-A220 VanDerWaalsContact CE1-CA 3.47Å; F96-A220 HydrophobicContact CE1-CB 3.82Å; F96-A220 HydrophobicContact CE2-CB 4.06Å; F96-A220 HydrophobicContact CG-CB 3.95Å; F96-A220 HydrophobicContact CZ-CB 3.9Å; F96-V223 HydrophobicContact CE1-CG2 3.95Å
97	I	97.9	Very high	96.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-47.9	-178.8	-64.9	165.8	0	0	0	110.4	K93 G94 M99 D101 E102 F104 Y105 I134 L173 Y254	K93-I97 HydrophobicContact CB-CD1 4.15Å; K93-I97 WeakPolarHBondContact O-CG1 3.38Å; K93-I97 PolarHBondContact O-N 3.28Å; G94-I97 PolarHBondContact O-N 3.27Å; I97-M99 PolarHBondContact O-N 3.14Å; I97-D101 VanDerWaalsContact CG2-O 3.3Å; I97-D101 WeakPolarHBondContact CG2-O 3.46Å; I97-D101 CarbonylContact O-C 3.54Å; I97-D101 WeakPolarHBondContact O-CA 3.27Å; I97-D101 PolarHBondContact O-N 3.3Å; I97-E102 PolarHBondContact O-N 3.27Å; I97-F104 HydrophobicContact CD1-CD1 4.31Å; I97-F104 HydrophobicContact CG1-CD1 4.33Å; I97-F104 HydrophobicContact CG2-CB 4Å; I97-Y105 HydrophobicContact CD1-CE2 3.69Å; I97-I134 HydrophobicContact CG1-CD1 4.07Å; I97-L173 HydrophobicContact CD1-CD2 3.85Å; I97-L173 HydrophobicContact CG1-CD1 4.27Å; I97-L173 HydrophobicContact CG1-CD2 4.37Å; I97-Y254 HydrophobicContact CG2-CE2 4.39Å; I97-Y254 VanDerWaalsContact CG2-OH 3.29Å; I97-Y254 WeakPolarHBondContact CG2-OH 3.23Å
98	S	95.8	Very high	96.7	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-33.5	-176.8	63.6	0	0	0	0	112.7	G94 F96 N245 K248 M249 Q252	G94-S98 VanDerWaalsContact O-CB 3.25Å; G94-S98 WeakPolarHBondContact O-CB 3.38Å; G94-S98 PolarHBondContact O-N 2.66Å; G94-S98 PolarHBondContact O-OG 2.72Å; F96-S98 PolarHBondContact O-N 2.93Å; S98-N245 PolarHBondContact OG-OD1 2.9Å; S98-K248 WeakPolarHBondContact O-CD 3.46Å; S98-M249 WeakPolarHBondContact OG-CG 3.26Å; S98-Q252 PolarHBondContact O-NE2 3.26Å
99	M	93.4	Very high	96.4	Very high	24 Å²	24	34.4 Å²	34.4	12%	0.118	16%	0.161	C	C	.	.	H	α-helix	trans	-84.1	-42.8	-176.7	-166.8	57.4	179.1	0	0	113.2	A95 F96 I97 R241 N245 K248	A95-M99 WeakPolarHBondContact O-CB 3.31Å; F96-M99 PolarHBondContact O-N 3.1Å; I97-M99 PolarHBondContact O-N 3.14Å; M99-R241 HydrophobicContact CE-CG 3.75Å; M99-N245 HydrophobicContact SD-CB 4.14Å; M99-K248 HydrophobicContact SD-CD 3.93Å
100	E	93.6	Very high	96.1	Very high	36 Å²	36	37.6 Å²	37.6	17%	0.168	17%	0.173	C	C	.	.	H	α-helix	trans	-100.8	-32.6	-168.8	-63.5	-66.4	136.2	0	0	113.2	F96 I134 Q137 R241	F96-E100 WeakPolarHBondContact O-CB 3.45Å; F96-E100 PolarHBondContact O-N 3.36Å; E100-I134 HydrophobicContact CB-CG1 4.37Å; E100-Q137 PolarHBondContact OE2-NE2 3.32Å; E100-R241 IonicContact OE1-NH2 2.74Å; E100-R241 PolarHBondContact OE1-NH2 3.09Å; E100-R241 VanDerWaalsContact OE1-NH2 3.08Å
101	D	95.6	Very high	95.8	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.053	15%	0.154	C	C	.	.			trans	-159.8	75.2	-170.9	-167.8	-5.9	0	0	0	112.1	I97 R103 F104 H107 T133 I134	I97-D101 VanDerWaalsContact CG2-O 3.3Å; I97-D101 WeakPolarHBondContact CG2-O 3.46Å; I97-D101 CarbonylContact O-C 3.54Å; I97-D101 WeakPolarHBondContact O-CA 3.27Å; I97-D101 PolarHBondContact O-N 3.3Å; D101-R103 PolarHBondContact O-N 3.02Å; D101-F104 HydrophobicContact CB-CB 4.18Å; D101-F104 VanDerWaalsContact O-CB 3.31Å; D101-F104 WeakPolarHBondContact O-CB 3.45Å; D101-F104 PolarHBondContact O-N 3.32Å; D101-F104 PolarHBondContact OD1-N 3.1Å; D101-H107 IonicContact OD1-CD2 2.64Å; D101-H107 IonicContact OD1-NE2 3.84Å; D101-H107 PolarHBondContact OD1-NE2 3.19Å; D101-H107 IonicContact OD2-CE1 3.75Å; D101-H107 IonicContact OD2-NE2 4Å; D101-H107 PolarHBondContact OD2-NE2 3.11Å; D101-T133 VanDerWaalsContact OD2-CA 3.22Å; D101-T133 WeakPolarHBondContact OD2-CA 3.29Å; D101-T133 WeakPolarHBondContact OD2-CB 3.15Å; D101-I134 HydrophobicContact CB-CB 4.36Å; D101-I134 HydrophobicContact CB-CD1 3.88Å; D101-I134 HydrophobicContact CB-CG1 3.73Å; D101-I134 PolarHBondContact OD2-N 3.25Å
102	E	93.8	Very high	95.3	Very high	79 Å²	79	36.5 Å²	36.5	37%	0.369	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-23.8	-175.4	53.2	151.5	-147	0	0	114.3	I97 R117	I97-E102 PolarHBondContact O-N 3.27Å; E102-R117 IonicContact OE1-CZ 3.18Å; E102-R117 IonicContact OE1-NH1 2.92Å; E102-R117 PolarHBondContact OE1-NH1 2.7Å; E102-R117 IonicContact OE2-NH1 3.78Å; E102-R117 PolarHBondContact OE2-NH1 3.41Å
103	R	94.4	Very high	94.8	Very high	26 Å²	26	43 Å²	43	10%	0.098	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	24.7	-177.5	-62.7	-147.7	-50	-79.6	-4.6	112.5	D101 Y105 N106 H107 D111 G114	D101-R103 PolarHBondContact O-N 3.02Å; R103-Y105 PolarHBondContact O-N 3.23Å; R103-Y105 VanDerWaalsContact O-N 3.09Å; R103-N106 HydrophobicContact CB-CB 4.25Å; R103-N106 WeakPolarHBondContact O-CA 3.49Å; R103-N106 WeakPolarHBondContact O-CB 3.11Å; R103-N106 PolarHBondContact O-N 3.26Å; R103-H107 PolarHBondContact O-CD2 3Å; R103-D111 IonicContact CZ-OD1 3.47Å; R103-D111 VanDerWaalsContact CZ-OD1 3.32Å; R103-D111 IonicContact CZ-OD2 3.08Å; R103-D111 IonicContact NE-OD1 3.64Å; R103-D111 PolarHBondContact NE-OD1 3.36Å; R103-D111 IonicContact NE-OD2 2.68Å; R103-D111 IonicContact NH1-OD2 3.88Å; R103-D111 PolarHBondContact NH1-OD2 3.49Å; R103-D111 IonicContact NH2-OD1 2.67Å; R103-D111 PolarHBondContact NH2-OD1 3.37Å; R103-D111 IonicContact NH2-OD2 3.18Å; R103-D111 PolarHBondContact NH2-OD2 2.82Å; R103-G114 VanDerWaalsContact NH2-CA 3.28Å
104	F	97.4	Very high	94.1	Very high	1 Å²	1	43 Å²	43	0%	0.004	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-44.6	-46.2	-178.8	175.3	-117.5	0	0	0	113.5	I97 D101 N106 H107 I134 K169 I172 L173	I97-F104 HydrophobicContact CD1-CD1 4.31Å; I97-F104 HydrophobicContact CG1-CD1 4.33Å; I97-F104 HydrophobicContact CG2-CB 4Å; D101-F104 HydrophobicContact CB-CB 4.18Å; D101-F104 VanDerWaalsContact O-CB 3.31Å; D101-F104 WeakPolarHBondContact O-CB 3.45Å; D101-F104 PolarHBondContact O-N 3.32Å; D101-F104 PolarHBondContact OD1-N 3.1Å; F104-N106 VanDerWaalsContact C-N 3.26Å; F104-N106 PolarHBondContact O-N 3.41Å; F104-H107 WeakPolarHBondContact CA-NE2 3.42Å; F104-I134 HydrophobicContact CB-CD1 4.38Å; F104-I134 HydrophobicContact CD2-CB 3.69Å; F104-I134 HydrophobicContact CD2-CD1 4.14Å; F104-I134 HydrophobicContact CD2-CG1 4.42Å; F104-I134 HydrophobicContact CD2-CG2 4.06Å; F104-I134 HydrophobicContact CE2-CB 3.78Å; F104-I134 HydrophobicContact CE2-CG2 3.65Å; F104-I134 HydrophobicContact CG-CD1 4.14Å; F104-I134 HydrophobicContact CZ-CG2 4.16Å; F104-K169 HydrophobicContact CD1-CD 4.49Å; F104-K169 HydrophobicContact CE1-CB 3.92Å; F104-K169 HydrophobicContact CE1-CD 4.05Å; F104-K169 VanDerWaalsContact CE1-O 3.3Å; F104-K169 WeakPolarHBondContact CE1-O 3.48Å; F104-K169 HydrophobicContact CE2-CD 4.12Å; F104-K169 HydrophobicContact CZ-CB 4.25Å; F104-K169 HydrophobicContact CZ-CD 3.86Å; F104-K169 VanDerWaalsContact CZ-O 3.25Å; F104-K169 WeakPolarHBondContact CZ-O 3.46Å; F104-K169 WeakPolarHBondContact O-CD 3.18Å; F104-K169 WeakPolarHBondContact O-CE 3.29Å; F104-K169 PolarHBondContact O-NZ 3.3Å; F104-I172 HydrophobicContact CE2-CG2 3.93Å; F104-I172 HydrophobicContact CZ-CB 4.08Å; F104-I172 HydrophobicContact CZ-CG2 3.93Å; F104-L173 HydrophobicContact CE1-CB 3.87Å; F104-L173 HydrophobicContact CZ-CB 4.07Å
105	Y	97	Very high	93.5	Very high	90 Å²	90	44.4 Å²	44.4	35%	0.353	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-73.7	-11.7	179.9	-65.8	-70.8	0	0	0	114.7	I97 R103 K169 N170	I97-Y105 HydrophobicContact CD1-CE2 3.69Å; R103-Y105 PolarHBondContact O-N 3.23Å; R103-Y105 VanDerWaalsContact O-N 3.09Å; Y105-K169 HydrophobicContact CD1-CB 3.53Å; Y105-K169 HydrophobicContact CD1-CG 3.87Å; Y105-K169 HydrophobicContact CE1-CB 3.66Å; Y105-K169 HydrophobicContact CE1-CG 4.49Å; Y105-N170 PolarHBondContact OH-OD1 3.03Å
106	N	95.4	Very high	92.9	Very high	123 Å²	123	47 Å²	47	66%	0.658	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-111.6	4.2	-166.7	-59.2	-24.9	0	0	0	114.1	R103 F104	R103-N106 HydrophobicContact CB-CB 4.25Å; R103-N106 WeakPolarHBondContact O-CA 3.49Å; R103-N106 WeakPolarHBondContact O-CB 3.11Å; R103-N106 PolarHBondContact O-N 3.26Å; F104-N106 VanDerWaalsContact C-N 3.26Å; F104-N106 PolarHBondContact O-N 3.41Å
107	H	95.4	Very high	92.2	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.037	25%	0.249	C	C	.	.	S	Bend	trans	-129.2	174.5	176.3	68.2	68.1	0	0	0	111.4	D101 R103 F104 G109 D111 E164 K169	D101-H107 IonicContact OD1-CD2 2.64Å; D101-H107 IonicContact OD1-NE2 3.84Å; D101-H107 PolarHBondContact OD1-NE2 3.19Å; D101-H107 IonicContact OD2-CE1 3.75Å; D101-H107 IonicContact OD2-NE2 4Å; D101-H107 PolarHBondContact OD2-NE2 3.11Å; R103-H107 PolarHBondContact O-CD2 3Å; F104-H107 WeakPolarHBondContact CA-NE2 3.42Å; H107-G109 PolarHBondContact ND1-N 3Å; H107-G109 VanDerWaalsContact ND1-N 3.14Å; H107-D111 HydrophobicContact CB-CB 4.14Å; H107-D111 IonicContact CD2-OD1 2.68Å; H107-E164 IonicContact CE1-OE1 3.02Å; H107-E164 IonicContact ND1-OE1 3.47Å; H107-K169 VanDerWaalsContact O-CE 3.26Å; H107-K169 WeakPolarHBondContact O-CE 3.34Å; H107-K169 PolarHBondContact O-NZ 3.4Å
108	H	94.6	Very high	91.3	Very high	139 Å²	139	52.5 Å²	52.5	64%	0.644	25%	0.252	S	S	*	.	S	Bend	trans	-121.8	69.1	178.9	-59	89.2	0	0	0	109.7	F110 E164	H108-F110 VanDerWaalsContact C-N 3.28Å; H108-F110 PolarHBondContact O-N 3.14Å; H108-E164 HydrophobicContact CB-CB 4.42Å
109	G	92.6	Very high	90.6	Very high	2 Å²	2	57.6 Å²	57.6	2%	0.021	28%	0.278	C	S	.	.	S	Bend	trans	86.8	-28.5	178.2	0	0	0	0	0	115.6	H107 T133 E164	H107-G109 PolarHBondContact ND1-N 3Å; H107-G109 VanDerWaalsContact ND1-N 3.14Å; G109-T133 PolarHBondContact O-OG1 3.17Å; G109-E164 VanDerWaalsContact CA-OE1 3.29Å; G109-E164 WeakPolarHBondContact CA-OE1 3.17Å; G109-E164 VanDerWaalsContact N-CG 3.31Å; G109-E164 PolarHBondContact N-OE1 3.01Å
110	F	92.6	Very high	90.1	Very high	87 Å²	87	63.6 Å²	63.6	38%	0.382	30%	0.304	S	S	.	.			trans	-130.8	128.6	174.2	-177.8	-107.5	0	0	0	111.4	H108 L112 T115 L157	H108-F110 VanDerWaalsContact C-N 3.28Å; H108-F110 PolarHBondContact O-N 3.14Å; F110-L112 HydrophobicContact CD1-CB 4.08Å; F110-L112 HydrophobicContact CE1-CB 3.75Å; F110-L112 HydrophobicContact CE1-CD1 3.86Å; F110-L112 HydrophobicContact CE1-CG 4.4Å; F110-L112 HydrophobicContact CZ-CD1 4.5Å; F110-L112 PolarHBondContact O-N 3.48Å; F110-T115 HydrophobicContact CZ-CG2 4.43Å; F110-L157 HydrophobicContact CB-CD2 4.09Å; F110-L157 HydrophobicContact CD2-CD2 3.57Å; F110-L157 HydrophobicContact CE2-CD2 4.27Å; F110-L157 HydrophobicContact CG-CD2 3.99Å
111	D	92.4	Very high	89.2	Confident	14 Å²	14	63.3 Å²	63.3	8%	0.075	31%	0.305	C	S	.	.			trans	-102.8	71.5	-174.6	-168.4	34.7	0	0	0	112.9	R103 H107 K113 G114 T115 T133	R103-D111 IonicContact CZ-OD1 3.47Å; R103-D111 VanDerWaalsContact CZ-OD1 3.32Å; R103-D111 IonicContact CZ-OD2 3.08Å; R103-D111 IonicContact NE-OD1 3.64Å; R103-D111 PolarHBondContact NE-OD1 3.36Å; R103-D111 IonicContact NE-OD2 2.68Å; R103-D111 IonicContact NH1-OD2 3.88Å; R103-D111 PolarHBondContact NH1-OD2 3.49Å; R103-D111 IonicContact NH2-OD1 2.67Å; R103-D111 PolarHBondContact NH2-OD1 3.37Å; R103-D111 IonicContact NH2-OD2 3.18Å; R103-D111 PolarHBondContact NH2-OD2 2.82Å; H107-D111 HydrophobicContact CB-CB 4.14Å; H107-D111 IonicContact CD2-OD1 2.68Å; D111-K113 VanDerWaalsContact C-N 3.31Å; D111-K113 PolarHBondContact O-N 2.96Å; D111-G114 PolarHBondContact O-N 2.93Å; D111-G114 WeakPolarHBondContact OD2-CA 3.29Å; D111-G114 PolarHBondContact OD2-N 3.21Å; D111-T115 PolarHBondContact O-N 3.38Å; D111-T115 PolarHBondContact O-OG1 2.64Å; D111-T115 VanDerWaalsContact O-OG1 3.08Å; D111-T133 HydrophobicContact CB-CG2 3.75Å
112	L	88	Confident	88.1	Confident	114 Å²	114	64.8 Å²	64.8	60%	0.597	32%	0.315	S	S	*	.	H	α-helix	trans	-51.4	-47.4	-173.5	178.7	61.6	0	0	0	112.9	F110 G114 T116	F110-L112 HydrophobicContact CD1-CB 4.08Å; F110-L112 HydrophobicContact CE1-CB 3.75Å; F110-L112 HydrophobicContact CE1-CD1 3.86Å; F110-L112 HydrophobicContact CE1-CG 4.4Å; F110-L112 HydrophobicContact CZ-CD1 4.5Å; F110-L112 PolarHBondContact O-N 3.48Å; L112-G114 PolarHBondContact O-N 3.49Å; L112-T116 HydrophobicContact CD1-CG2 4.21Å; L112-T116 VanDerWaalsContact O-CG2 3.31Å; L112-T116 WeakPolarHBondContact O-CG2 3.36Å; L112-T116 PolarHBondContact O-N 2.81Å; L112-T116 PolarHBondContact O-OG1 2.75Å; L112-T116 VanDerWaalsContact O-OG1 3.05Å
113	K	87.6	Confident	87.3	Confident	136 Å²	136	67.9 Å²	67.9	59%	0.591	33%	0.333	S	S	*	.	H	α-helix	trans	-65.6	-23.5	-178.8	168	-177.2	-176.6	-179.9	0	112.5	D111 T116 R117	D111-K113 VanDerWaalsContact C-N 3.31Å; D111-K113 PolarHBondContact O-N 2.96Å; K113-T116 WeakPolarHBondContact CA-OG1 3.48Å; K113-T116 PolarHBondContact O-OG1 3.5Å; K113-R117 VanDerWaalsContact O-CB 3.26Å; K113-R117 WeakPolarHBondContact O-CB 3.46Å; K113-R117 PolarHBondContact O-N 3.42Å; K113-R117 VanDerWaalsContact O-N 3.12Å
114	G	84.6	Confident	86.3	Confident	10 Å²	10	71.2 Å²	71.2	10%	0.103	36%	0.36	C	S	.	.	H	α-helix	trans	-96	-40.6	-173.2	0	0	0	0	0	109.1	R103 D111 L112 T116 R117 A118	R103-G114 VanDerWaalsContact NH2-CA 3.28Å; D111-G114 PolarHBondContact O-N 2.93Å; D111-G114 WeakPolarHBondContact OD2-CA 3.29Å; D111-G114 PolarHBondContact OD2-N 3.21Å; L112-G114 PolarHBondContact O-N 3.49Å; G114-T116 VanDerWaalsContact C-N 3.31Å; G114-T116 PolarHBondContact O-N 2.68Å; G114-R117 PolarHBondContact O-N 2.99Å; G114-A118 WeakPolarHBondContact O-CB 3.49Å; G114-A118 PolarHBondContact O-N 2.92Å
115	T	85.4	Confident	84.2	Confident	29 Å²	29	76.4 Å²	76.4	18%	0.178	39%	0.387	C	S	.	.	H	α-helix	trans	-54.3	-47.6	164.3	-51.2	0	0	0	0	110.9	F110 D111 L119	F110-T115 HydrophobicContact CZ-CG2 4.43Å; D111-T115 PolarHBondContact O-N 3.38Å; D111-T115 PolarHBondContact O-OG1 2.64Å; D111-T115 VanDerWaalsContact O-OG1 3.08Å; T115-L119 HydrophobicContact CG2-CD1 4.27Å; T115-L119 WeakPolarHBondContact O-CB 3.45Å; T115-L119 VanDerWaalsContact O-CG 3.23Å; T115-L119 WeakPolarHBondContact O-CG 3.34Å; T115-L119 PolarHBondContact O-N 2.86Å
116	T	85.7	Confident	82.2	Confident	56 Å²	56	84 Å²	84	34%	0.344	42%	0.415	S	S	.	.	H	α-helix	trans	-65.5	-43	177.6	54.1	0	0	0	0	112.2	L112 K113 G114 L119 F120	L112-T116 HydrophobicContact CD1-CG2 4.21Å; L112-T116 VanDerWaalsContact O-CG2 3.31Å; L112-T116 WeakPolarHBondContact O-CG2 3.36Å; L112-T116 PolarHBondContact O-N 2.81Å; L112-T116 PolarHBondContact O-OG1 2.75Å; L112-T116 VanDerWaalsContact O-OG1 3.05Å; K113-T116 WeakPolarHBondContact CA-OG1 3.48Å; K113-T116 PolarHBondContact O-OG1 3.5Å; G114-T116 VanDerWaalsContact C-N 3.31Å; G114-T116 PolarHBondContact O-N 2.68Å; T116-L119 PolarHBondContact O-N 2.98Å; T116-F120 WeakPolarHBondContact O-CD2 3.38Å; T116-F120 PolarHBondContact O-N 2.86Å
117	R	82.7	Confident	80.2	Confident	109 Å²	109	83.6 Å²	83.6	41%	0.411	41%	0.413	S	S	.	.	H	α-helix	trans	-59.5	-48.5	177.4	179.6	-170.7	-62.7	-179.8	-11.6	111.3	E102 K113 G114 L119 F120 S121	E102-R117 IonicContact OE1-CZ 3.18Å; E102-R117 IonicContact OE1-NH1 2.92Å; E102-R117 PolarHBondContact OE1-NH1 2.7Å; E102-R117 IonicContact OE2-NH1 3.78Å; E102-R117 PolarHBondContact OE2-NH1 3.41Å; K113-R117 VanDerWaalsContact O-CB 3.26Å; K113-R117 WeakPolarHBondContact O-CB 3.46Å; K113-R117 PolarHBondContact O-N 3.42Å; K113-R117 VanDerWaalsContact O-N 3.12Å; G114-R117 PolarHBondContact O-N 2.99Å; R117-L119 VanDerWaalsContact C-N 3.33Å; R117-L119 PolarHBondContact O-N 3.04Å; R117-F120 PolarHBondContact O-N 3.33Å; R117-S121 PolarHBondContact O-N 3.01Å; R117-S121 PolarHBondContact O-OG 3.2Å
118	A	79.4	Confident	78.3	Confident	7 Å²	7	89.1 Å²	89.1	6%	0.058	45%	0.448	C	S	.	.	H	α-helix	trans	-58.8	-43	177.5	0	0	0	0	0	111.6	G114 S121 T122 Q129	G114-A118 WeakPolarHBondContact O-CB 3.49Å; G114-A118 PolarHBondContact O-N 2.92Å; A118-S121 WeakPolarHBondContact CA-OG 3.48Å; A118-S121 PolarHBondContact O-N 3.45Å; A118-S121 PolarHBondContact O-OG 3.09Å; A118-S121 VanDerWaalsContact O-OG 3.07Å; A118-T122 VanDerWaalsContact O-CB 3.26Å; A118-T122 WeakPolarHBondContact O-CB 3.48Å; A118-T122 PolarHBondContact O-N 2.88Å; A118-T122 PolarHBondContact O-OG1 2.76Å; A118-T122 VanDerWaalsContact O-OG1 3.07Å; A118-Q129 HydrophobicContact CB-CB 3.87Å
119	L	81.1	Confident	76.8	Confident	109 Å²	109	86.6 Å²	86.6	57%	0.571	44%	0.436	S	S	*	.	H	α-helix	trans	-62.9	-43.6	176.6	-72.4	171	0	0	0	112.1	T115 T116 R117 I123	T115-L119 HydrophobicContact CG2-CD1 4.27Å; T115-L119 WeakPolarHBondContact O-CB 3.45Å; T115-L119 VanDerWaalsContact O-CG 3.23Å; T115-L119 WeakPolarHBondContact O-CG 3.34Å; T115-L119 PolarHBondContact O-N 2.86Å; T116-L119 PolarHBondContact O-N 2.98Å; R117-L119 VanDerWaalsContact C-N 3.33Å; R117-L119 PolarHBondContact O-N 3.04Å; L119-I123 VanDerWaalsContact O-CD1 3.31Å; L119-I123 WeakPolarHBondContact O-CD1 3.26Å; L119-I123 VanDerWaalsContact O-CG1 3.25Å; L119-I123 WeakPolarHBondContact O-CG1 3.37Å; L119-I123 PolarHBondContact O-N 2.75Å
120	F	82.1	Confident	75.6	Confident	151 Å²	151	89.7 Å²	89.7	66%	0.662	47%	0.468	S	S	*	.	H	α-helix	trans	-67.6	-41.7	175.8	-72	-65.2	0	0	0	112.1	T116 R117 I123 S124	T116-F120 WeakPolarHBondContact O-CD2 3.38Å; T116-F120 PolarHBondContact O-N 2.86Å; R117-F120 PolarHBondContact O-N 3.33Å; F120-I123 PolarHBondContact O-N 2.73Å; F120-S124 PolarHBondContact O-N 2.63Å; F120-S124 PolarHBondContact O-OG 2.95Å
121	S	76.3	Confident	75	Confident	29 Å²	29	87.2 Å²	87.2	20%	0.203	47%	0.467	C	S	.	.	H	α-helix	trans	-69.6	-37.8	179.2	63.3	0	0	0	0	112.4	R117 A118 I123 S124 D125	R117-S121 PolarHBondContact O-N 3.01Å; R117-S121 PolarHBondContact O-OG 3.2Å; A118-S121 WeakPolarHBondContact CA-OG 3.48Å; A118-S121 PolarHBondContact O-N 3.45Å; A118-S121 PolarHBondContact O-OG 3.09Å; A118-S121 VanDerWaalsContact O-OG 3.07Å; S121-I123 VanDerWaalsContact C-N 3.26Å; S121-I123 PolarHBondContact O-N 2.75Å; S121-S124 CarbonylContact O-C 3.43Å; S121-S124 PolarHBondContact O-N 3.14Å; S121-D125 WeakPolarHBondContact O-CA 3.3Å; S121-D125 WeakPolarHBondContact O-CB 3.3Å; S121-D125 PolarHBondContact O-N 3.47Å
122	T	72.5	Confident	74.9	Confident	41 Å²	41	88.6 Å²	88.6	25%	0.252	48%	0.478	S	S	.	.	H	α-helix	trans	-69.8	-23.1	176.7	-66.4	0	0	0	0	112.6	A118 S124 D125 D127 V128 Q129	A118-T122 VanDerWaalsContact O-CB 3.26Å; A118-T122 WeakPolarHBondContact O-CB 3.48Å; A118-T122 PolarHBondContact O-N 2.88Å; A118-T122 PolarHBondContact O-OG1 2.76Å; A118-T122 VanDerWaalsContact O-OG1 3.07Å; T122-S124 VanDerWaalsContact C-N 3.34Å; T122-D125 CarbonylContact C-O 3.58Å; T122-D125 WeakPolarHBondContact CA-O 3.46Å; T122-D127 PolarHBondContact OG1-O 3.2Å; T122-V128 HydrophobicContact CG2-CB 4.32Å; T122-V128 HydrophobicContact CG2-CG2 3.97Å; T122-Q129 PolarHBondContact OG1-N 2.79Å
123	I	75.6	Confident	75.3	Confident	145 Å²	145	83.3 Å²	83.3	74%	0.744	45%	0.45	S	S	*	.	H	α-helix	trans	-73.4	-31.2	169.6	-68.4	162.8	0	0	0	110.6	L119 F120 S121	L119-I123 VanDerWaalsContact O-CD1 3.31Å; L119-I123 WeakPolarHBondContact O-CD1 3.26Å; L119-I123 VanDerWaalsContact O-CG1 3.25Å; L119-I123 WeakPolarHBondContact O-CG1 3.37Å; L119-I123 PolarHBondContact O-N 2.75Å; F120-I123 PolarHBondContact O-N 2.73Å; S121-I123 VanDerWaalsContact C-N 3.26Å; S121-I123 PolarHBondContact O-N 2.75Å
124	S	73.4	Confident	75.8	Confident	96 Å²	96	76.9 Å²	76.9	67%	0.671	42%	0.422	S	S	*	.	H	α-helix	trans	-87.6	-37.9	-179.7	-63.1	0	0	0	0	114.1	F120 S121 T122	F120-S124 PolarHBondContact O-N 2.63Å; F120-S124 PolarHBondContact O-OG 2.95Å; S121-S124 CarbonylContact O-C 3.43Å; S121-S124 PolarHBondContact O-N 3.14Å; T122-S124 VanDerWaalsContact C-N 3.34Å
125	D	53.3	Low	76.4	Confident	109 Å²	109	76.4 Å²	76.4	58%	0.583	42%	0.417	S	S	*	.	S	Bend	trans	-120.5	143.1	-176.6	-66.3	-39.1	0	0	0	109.8	S121 T122 D127	S121-D125 WeakPolarHBondContact O-CA 3.3Å; S121-D125 WeakPolarHBondContact O-CB 3.3Å; S121-D125 PolarHBondContact O-N 3.47Å; T122-D125 CarbonylContact C-O 3.58Å; T122-D125 WeakPolarHBondContact CA-O 3.46Å; D125-D127 PolarHBondContact O-N 3.18Å
126	R	55	Low	76.9	Confident	249 Å²	249	75 Å²	75	94%	0.94	41%	0.409	S	S	*	.	S	Bend	trans	-70.4	1.1	-174.3	-65.7	-172.1	179.9	-152.6	1.2	115
127	D	53.5	Low	77.4	Confident	115 Å²	115	73.2 Å²	73.2	62%	0.615	40%	0.396	S	S	*	.			trans	-88.9	112.8	178.9	-76.7	-15.2	0	0	0	110.9	T122 D125 Q129	T122-D127 PolarHBondContact OG1-O 3.2Å; D125-D127 PolarHBondContact O-N 3.18Å; D127-Q129 PolarHBondContact O-N 3.04Å
128	V	55.5	Low	78.1	Confident	125 Å²	125	68.1 Å²	68.1	76%	0.758	38%	0.377	S	S	*	.			trans	-73.2	106.1	172.1	-179.7	0	0	0	0	108.7	T122	T122-V128 HydrophobicContact CG2-CB 4.32Å; T122-V128 HydrophobicContact CG2-CG2 3.97Å
129	Q	62.9	Low	78.9	Confident	85 Å²	85	67.8 Å²	67.8	40%	0.397	38%	0.375	S	S	.	.			trans	-79.2	134.5	171.1	-71.6	-173.2	3.8	0	0	110.3	A118 T122 D127 G131	A118-Q129 HydrophobicContact CB-CB 3.87Å; T122-Q129 PolarHBondContact OG1-N 2.79Å; D127-Q129 PolarHBondContact O-N 3.04Å; Q129-G131 PolarHBondContact O-N 3.4Å
130	G	67.9	Low	79.6	Confident	67 Å²	67	66 Å²	66	69%	0.691	36%	0.362	S	S	*	.			trans	-66.9	122.1	172.9	0	0	0	0	0	110.4	S132	G130-S132 VanDerWaalsContact C-N 3.3Å; G130-S132 PolarHBondContact O-N 2.98Å
131	G	81	Confident	80.2	Confident	35 Å²	35	60.3 Å²	60.3	36%	0.361	34%	0.339	S	S	.	.			trans	-86	8	179.3	0	0	0	0	0	115.1	Q129	Q129-G131 PolarHBondContact O-N 3.4Å
132	S	89.9	Confident	81.1	Confident	44 Å²	44	61.5 Å²	61.5	31%	0.308	34%	0.339	S	S	.	.			trans	-97.9	126.2	-177.7	-57.1	0	0	0	0	111.5	G130 Q137 K153	G130-S132 VanDerWaalsContact C-N 3.3Å; G130-S132 PolarHBondContact O-N 2.98Å; S132-Q137 PolarHBondContact O-NE2 3.06Å; S132-K153 PolarHBondContact OG-NZ 3.34Å
133	T	95.8	Very high	82.1	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.018	34%	0.336	C	S	.	.			trans	-69.4	161.9	-179.7	63.8	0	0	0	0	112.2	D101 G109 D111 T135 Q136 Q137	D101-T133 VanDerWaalsContact OD2-CA 3.22Å; D101-T133 WeakPolarHBondContact OD2-CA 3.29Å; D101-T133 WeakPolarHBondContact OD2-CB 3.15Å; G109-T133 PolarHBondContact O-OG1 3.17Å; D111-T133 HydrophobicContact CB-CG2 3.75Å; T133-T135 VanDerWaalsContact C-N 3.27Å; T133-T135 PolarHBondContact O-N 3.36Å; T133-Q136 VanDerWaalsContact O-CB 3.3Å; T133-Q136 WeakPolarHBondContact O-CB 3.45Å; T133-Q136 PolarHBondContact O-N 2.66Å; T133-Q136 VanDerWaalsContact O-N 3.13Å; T133-Q136 WeakPolarHBondContact OG1-CB 3.44Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.36Å; T133-Q136 PolarHBondContact OG1-N 2.96Å; T133-Q136 VanDerWaalsContact OG1-N 3.16Å; T133-Q137 WeakPolarHBondContact O-CG 3.46Å; T133-Q137 PolarHBondContact O-N 3.26Å
134	I	97.5	Very high	82.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.2	-42.7	174.3	-78.3	169.8	0	0	0	110.8	I97 E100 D101 F104 Q136 Q137 V138 L173 Y176	I97-I134 HydrophobicContact CG1-CD1 4.07Å; E100-I134 HydrophobicContact CB-CG1 4.37Å; D101-I134 HydrophobicContact CB-CB 4.36Å; D101-I134 HydrophobicContact CB-CD1 3.88Å; D101-I134 HydrophobicContact CB-CG1 3.73Å; D101-I134 PolarHBondContact OD2-N 3.25Å; F104-I134 HydrophobicContact CB-CD1 4.38Å; F104-I134 HydrophobicContact CD2-CB 3.69Å; F104-I134 HydrophobicContact CD2-CD1 4.14Å; F104-I134 HydrophobicContact CD2-CG1 4.42Å; F104-I134 HydrophobicContact CD2-CG2 4.06Å; F104-I134 HydrophobicContact CE2-CB 3.78Å; F104-I134 HydrophobicContact CE2-CG2 3.65Å; F104-I134 HydrophobicContact CG-CD1 4.14Å; F104-I134 HydrophobicContact CZ-CG2 4.16Å; I134-Q136 VanDerWaalsContact C-N 3.31Å; I134-Q136 PolarHBondContact O-N 3.34Å; I134-Q137 CarbonylContact O-C 3.58Å; I134-Q137 WeakPolarHBondContact O-CA 3.27Å; I134-Q137 WeakPolarHBondContact O-CB 3.45Å; I134-Q137 PolarHBondContact O-N 2.86Å; I134-V138 WeakPolarHBondContact O-CG2 3.36Å; I134-V138 PolarHBondContact O-N 3.04Å; I134-L173 HydrophobicContact CD1-CD1 4.17Å; I134-L173 HydrophobicContact CG2-CD1 4.48Å; I134-Y176 HydrophobicContact CG1-CD1 4.39Å; I134-Y176 HydrophobicContact CG1-CE1 4.33Å; I134-Y176 HydrophobicContact CG2-CD1 4.02Å; I134-Y176 HydrophobicContact CG2-CD2 4.11Å; I134-Y176 HydrophobicContact CG2-CG 3.68Å
135	T	98.1	Very high	83.1	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-42.2	177	-49.4	0	0	0	0	111.9	T133 Q137 V138 V139 A160 V163 E164 I172	T133-T135 VanDerWaalsContact C-N 3.27Å; T133-T135 PolarHBondContact O-N 3.36Å; T135-Q137 VanDerWaalsContact C-N 3.32Å; T135-Q137 PolarHBondContact O-N 3.16Å; T135-V138 WeakPolarHBondContact O-CB 3.17Å; T135-V138 PolarHBondContact O-N 3.13Å; T135-V139 WeakPolarHBondContact O-CG2 3.3Å; T135-V139 PolarHBondContact O-N 3.13Å; T135-V139 VanDerWaalsContact O-N 3.14Å; T135-A160 HydrophobicContact CG2-CB 3.81Å; T135-V163 HydrophobicContact CG2-CB 4.14Å; T135-V163 HydrophobicContact CG2-CG1 3.91Å; T135-E164 HydrophobicContact CG2-CG 3.53Å; T135-E164 PolarHBondContact OG1-OE1 2.76Å; T135-I172 HydrophobicContact CG2-CG2 4.3Å
136	Q	96.2	Very high	84.2	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-40.6	173.7	-86.8	-179	-27.1	0	0	112.2	T133 I134 V139 K140 E156 A160	T133-Q136 VanDerWaalsContact O-CB 3.3Å; T133-Q136 WeakPolarHBondContact O-CB 3.45Å; T133-Q136 PolarHBondContact O-N 2.66Å; T133-Q136 VanDerWaalsContact O-N 3.13Å; T133-Q136 WeakPolarHBondContact OG1-CB 3.44Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.36Å; T133-Q136 PolarHBondContact OG1-N 2.96Å; T133-Q136 VanDerWaalsContact OG1-N 3.16Å; I134-Q136 VanDerWaalsContact C-N 3.31Å; I134-Q136 PolarHBondContact O-N 3.34Å; Q136-V139 PolarHBondContact O-N 3.23Å; Q136-K140 WeakPolarHBondContact O-CB 3.13Å; Q136-K140 PolarHBondContact O-N 3.42Å; Q136-E156 HydrophobicContact CB-CG 4.28Å; Q136-E156 WeakPolarHBondContact CB-OE1 3.47Å; Q136-E156 HydrophobicContact CG-CG 4.27Å; Q136-E156 VanDerWaalsContact CG-OE1 3.26Å; Q136-E156 WeakPolarHBondContact CG-OE1 3.26Å; Q136-E156 WeakPolarHBondContact O-CG 3.43Å; Q136-A160 HydrophobicContact CG-CB 4.13Å
137	Q	95.3	Very high	85.3	Confident	17 Å²	17	49.5 Å²	49.5	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-38.6	177.1	-64.1	-171.9	51.1	0	0	112.2	E100 S132 T133 I134 T135 V139 K140 N141 Y176	E100-Q137 PolarHBondContact OE2-NE2 3.32Å; S132-Q137 PolarHBondContact O-NE2 3.06Å; T133-Q137 WeakPolarHBondContact O-CG 3.46Å; T133-Q137 PolarHBondContact O-N 3.26Å; I134-Q137 CarbonylContact O-C 3.58Å; I134-Q137 WeakPolarHBondContact O-CA 3.27Å; I134-Q137 WeakPolarHBondContact O-CB 3.45Å; I134-Q137 PolarHBondContact O-N 2.86Å; T135-Q137 VanDerWaalsContact C-N 3.32Å; T135-Q137 PolarHBondContact O-N 3.16Å; Q137-V139 VanDerWaalsContact C-N 3.35Å; Q137-V139 PolarHBondContact O-N 3.4Å; Q137-K140 PolarHBondContact O-N 2.8Å; Q137-N141 WeakPolarHBondContact O-CB 3.36Å; Q137-N141 PolarHBondContact O-N 2.86Å; Q137-N141 PolarHBondContact O-ND2 3.12Å; Q137-N141 PolarHBondContact O-OD1 2.68Å; Q137-Y176 HydrophobicContact CB-CD2 4Å; Q137-Y176 HydrophobicContact CB-CE2 3.63Å; Q137-Y176 HydrophobicContact CG-CE2 4.38Å; Q137-Y176 PolarHBondContact OE1-OH 3.07Å
138	V	97.7	Very high	86.4	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-55.1	-52.4	171.4	172.4	0	0	0	0	110.2	L73 I134 T135 K140 N141 Y142 I172 F175 Y176	L73-V138 HydrophobicContact CD1-CG1 4Å; L73-V138 HydrophobicContact CD2-CG1 3.77Å; I134-V138 WeakPolarHBondContact O-CG2 3.36Å; I134-V138 PolarHBondContact O-N 3.04Å; T135-V138 WeakPolarHBondContact O-CB 3.17Å; T135-V138 PolarHBondContact O-N 3.13Å; V138-K140 PolarHBondContact O-N 2.83Å; V138-N141 PolarHBondContact O-N 3.18Å; V138-Y142 VanDerWaalsContact O-CB 3.29Å; V138-Y142 WeakPolarHBondContact O-CB 3.2Å; V138-Y142 PolarHBondContact O-N 3.34Å; V138-I172 HydrophobicContact CG2-CG2 4.21Å; V138-F175 HydrophobicContact CG1-CB 3.89Å; V138-F175 HydrophobicContact CG2-CB 4.3Å; V138-Y176 HydrophobicContact CG2-CD2 4.27Å; V138-Y176 HydrophobicContact CG2-CG 4.41Å
139	V	97	Very high	87.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-45.3	-178.8	168.8	0	0	0	0	111.6	T135 Q136 Q137 F143 Y144 E156 V159 A160 V163	T135-V139 WeakPolarHBondContact O-CG2 3.3Å; T135-V139 PolarHBondContact O-N 3.13Å; T135-V139 VanDerWaalsContact O-N 3.14Å; Q136-V139 PolarHBondContact O-N 3.23Å; Q137-V139 VanDerWaalsContact C-N 3.35Å; Q137-V139 PolarHBondContact O-N 3.4Å; V139-F143 HydrophobicContact CG1-CD2 4.15Å; V139-F143 WeakPolarHBondContact O-CB 3.47Å; V139-F143 PolarHBondContact O-N 3.4Å; V139-Y144 HydrophobicContact CG1-CD2 4.1Å; V139-Y144 HydrophobicContact CG1-CE2 3.73Å; V139-E156 HydrophobicContact CB-CG 4.09Å; V139-E156 HydrophobicContact CG1-CB 4.22Å; V139-E156 HydrophobicContact CG1-CG 3.78Å; V139-V159 HydrophobicContact CB-CG1 4.38Å; V139-V159 HydrophobicContact CG1-CB 3.65Å; V139-V159 HydrophobicContact CG1-CG1 3.73Å; V139-V159 HydrophobicContact CG1-CG2 4.25Å; V139-V159 HydrophobicContact CG2-CB 4.11Å; V139-V159 HydrophobicContact CG2-CG1 3.71Å; V139-A160 HydrophobicContact CG2-CB 4.23Å; V139-V163 HydrophobicContact CG2-CG2 3.89Å
140	K	94.8	Very high	89.1	Confident	72 Å²	72	54.7 Å²	54.7	31%	0.313	29%	0.287	S	S	.	.	H	α-helix	trans	-57.3	-52.5	178.1	-177.2	-170.7	71.8	176.6	0	110.9	Q136 Q137 V138 Y142 Y144 D145	Q136-K140 WeakPolarHBondContact O-CB 3.13Å; Q136-K140 PolarHBondContact O-N 3.42Å; Q137-K140 PolarHBondContact O-N 2.8Å; V138-K140 PolarHBondContact O-N 2.83Å; K140-Y142 PolarHBondContact O-N 3.26Å; K140-Y144 CarbonylContact O-C 2.97Å; K140-Y144 VanDerWaalsContact O-CA 3.32Å; K140-Y144 WeakPolarHBondContact O-CA 3.48Å; K140-Y144 PolarHBondContact O-N 3.32Å; K140-D145 PolarHBondContact O-N 2.68Å
141	N	94.3	Very high	90.2	Very high	31 Å²	31	54.2 Å²	54.2	17%	0.166	27%	0.271	C	S	.	.	H	α-helix	trans	-71.9	-31.4	-173.6	-63	-7.5	0	0	0	112	Q137 V138 I180	Q137-N141 WeakPolarHBondContact O-CB 3.36Å; Q137-N141 PolarHBondContact O-N 2.86Å; Q137-N141 PolarHBondContact O-ND2 3.12Å; Q137-N141 PolarHBondContact O-OD1 2.68Å; V138-N141 PolarHBondContact O-N 3.18Å; N141-I180 WeakPolarHBondContact ND2-CG2 3.14Å
142	Y	96	Very high	90.7	Very high	55 Å²	55	53.9 Å²	53.9	22%	0.216	26%	0.259	C	S	.	.	H	α-helix	trans	-83.1	-47	-179.7	-167.8	-89.5	0	0	0	113.1	E72 L73 I76 V138 K140	E72-Y142 HydrophobicContact CB-CE1 3.74Å; E72-Y142 WeakPolarHBondContact CB-OH 3.36Å; E72-Y142 PolarHBondContact O-OH 2.69Å; L73-Y142 HydrophobicContact CD2-CD1 3.82Å; L73-Y142 HydrophobicContact CD2-CD2 3.89Å; L73-Y142 HydrophobicContact CD2-CE1 4.42Å; L73-Y142 HydrophobicContact CD2-CE2 4.46Å; L73-Y142 HydrophobicContact CD2-CG 3.53Å; I76-Y142 HydrophobicContact CD1-CD2 3.81Å; I76-Y142 HydrophobicContact CD1-CE2 4.15Å; I76-Y142 HydrophobicContact CG1-CD2 4Å; I76-Y142 HydrophobicContact CG1-CE2 3.9Å; V138-Y142 VanDerWaalsContact O-CB 3.29Å; V138-Y142 WeakPolarHBondContact O-CB 3.2Å; V138-Y142 PolarHBondContact O-N 3.34Å; K140-Y142 PolarHBondContact O-N 3.26Å
143	F	94.4	Very high	90.8	Very high	40 Å²	40	54 Å²	54	18%	0.175	25%	0.254	C	S	.	.	H	α-helix	trans	-99.2	-24.1	-172.5	-63.6	-75	0	0	0	113.9	D68 N69 L73 V139 V159	D68-F143 HydrophobicContact CB-CD1 3.86Å; D68-F143 HydrophobicContact CB-CE1 4.03Å; D68-F143 HydrophobicContact CB-CG 4.21Å; N69-F143 WeakPolarHBondContact O-CZ 3.47Å; L73-F143 HydrophobicContact CD2-CE2 4.09Å; L73-F143 HydrophobicContact CD2-CZ 4.47Å; L73-F143 HydrophobicContact CG-CE2 4.33Å; L73-F143 HydrophobicContact CG-CZ 4.47Å; V139-F143 HydrophobicContact CG1-CD2 4.15Å; V139-F143 WeakPolarHBondContact O-CB 3.47Å; V139-F143 PolarHBondContact O-N 3.4Å; F143-V159 HydrophobicContact CD2-CG1 4.15Å; F143-V159 HydrophobicContact CE2-CG1 4.03Å
144	Y	90.5	Very high	90.7	Very high	15 Å²	15	54.8 Å²	54.8	6%	0.059	26%	0.259	C	S	.	.			trans	-140.2	27.2	-163.5	-46	-54.2	0	0	0	116	D68 V139 K140 N146 D147 R152 K155 E156 V159	D68-Y144 VanDerWaalsContact CG-OH 3.27Å; D68-Y144 PolarHBondContact OD2-OH 3.26Å; V139-Y144 HydrophobicContact CG1-CD2 4.1Å; V139-Y144 HydrophobicContact CG1-CE2 3.73Å; K140-Y144 CarbonylContact O-C 2.97Å; K140-Y144 VanDerWaalsContact O-CA 3.32Å; K140-Y144 WeakPolarHBondContact O-CA 3.48Å; K140-Y144 PolarHBondContact O-N 3.32Å; Y144-N146 PolarHBondContact O-N 2.76Å; Y144-D147 PolarHBondContact O-N 2.86Å; Y144-D147 VanDerWaalsContact O-N 3.11Å; Y144-R152 VanDerWaalsContact CB-CD 3.44Å; Y144-R152 HydrophobicContact CD1-CG 4.35Å; Y144-R152 HydrophobicContact CD2-CG 3.81Å; Y144-R152 HydrophobicContact CG-CG 3.67Å; Y144-K155 HydrophobicContact CE2-CB 4.18Å; Y144-K155 VanDerWaalsContact OH-CB 3.28Å; Y144-K155 WeakPolarHBondContact OH-CB 3.13Å; Y144-E156 HydrophobicContact CE2-CB 4.34Å; Y144-V159 HydrophobicContact CE2-CG2 4.41Å; Y144-V159 VanDerWaalsContact OH-CG2 3.29Å; Y144-V159 WeakPolarHBondContact OH-CG2 3.25Å
145	D	78.4	Confident	90.5	Very high	111 Å²	111	56.9 Å²	56.9	59%	0.594	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-32.7	-169.7	-164.1	31.2	0	0	0	114.2	K140	K140-D145 PolarHBondContact O-N 2.68Å
146	N	75.7	Confident	90.4	Very high	159 Å²	159	57 Å²	57	85%	0.85	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	0.8	-175	-68.2	-49.9	0	0	0	116.1	Y144	Y144-N146 PolarHBondContact O-N 2.76Å
147	D	78.3	Confident	90.3	Very high	62 Å²	62	59.9 Å²	59.9	33%	0.332	28%	0.283	S	S	.	.			trans	-105.3	134.6	-175.7	178.7	-3.1	0	0	0	110.1	Y144 S149 R152	Y144-D147 PolarHBondContact O-N 2.86Å; Y144-D147 VanDerWaalsContact O-N 3.11Å; D147-S149 WeakPolarHBondContact OD1-CB 3.18Å; D147-S149 PolarHBondContact OD1-N 3.16Å; D147-S149 PolarHBondContact OD1-OG 2.89Å; D147-S149 PolarHBondContact OD2-OG 2.88Å; D147-R152 HydrophobicContact CB-CB 4.45Å; D147-R152 HydrophobicContact CB-CG 4.26Å; D147-R152 WeakPolarHBondContact O-CD 3.43Å; D147-R152 PolarHBondContact O-NE 3.19Å
148	R	76.4	Confident	90.4	Very high	244 Å²	244	61.7 Å²	61.7	92%	0.921	29%	0.291	S	S	*	.			trans	-115.9	14.6	179.7	-66.2	-171.7	-179.6	-173.1	1.2	113.4
149	S	88.6	Confident	90.3	Very high	37 Å²	37	61.6 Å²	61.6	26%	0.259	29%	0.29	S	S	.	.			trans	-76.8	154.2	-176.5	64.8	0	0	0	0	113.9	D147 T151 R152 K153	D147-S149 WeakPolarHBondContact OD1-CB 3.18Å; D147-S149 PolarHBondContact OD1-N 3.16Å; D147-S149 PolarHBondContact OD1-OG 2.89Å; D147-S149 PolarHBondContact OD2-OG 2.88Å; S149-T151 VanDerWaalsContact C-N 3.29Å; S149-T151 WeakPolarHBondContact CB-OG1 3.39Å; S149-T151 PolarHBondContact OG-OG1 2.92Å; S149-R152 WeakPolarHBondContact O-CB 3.32Å; S149-R152 PolarHBondContact O-N 3.18Å; S149-R152 VanDerWaalsContact OG-CB 3.3Å; S149-R152 WeakPolarHBondContact OG-CB 3.48Å; S149-R152 PolarHBondContact OG-N 3.1Å; S149-R152 VanDerWaalsContact OG-N 3.1Å; S149-K153 PolarHBondContact O-N 3.09Å
150	F	87.5	Confident	90.4	Very high	153 Å²	153	61.6 Å²	61.6	67%	0.671	29%	0.29	S	S	*	.	H	α-helix	trans	-64.7	-35.6	170.6	179.3	-103.6	0	0	0	111.9	R152 K153 V154	F150-R152 VanDerWaalsContact C-N 3.33Å; F150-R152 PolarHBondContact O-N 3.46Å; F150-K153 WeakPolarHBondContact O-CB 3.18Å; F150-K153 PolarHBondContact O-N 2.68Å; F150-K153 VanDerWaalsContact O-N 3.08Å; F150-V154 HydrophobicContact CD1-CG2 4.19Å; F150-V154 HydrophobicContact CE1-CG2 3.73Å; F150-V154 HydrophobicContact CZ-CG2 3.94Å; F150-V154 PolarHBondContact O-N 2.55Å
151	T	90.5	Very high	90.5	Very high	57 Å²	57	62.4 Å²	62.4	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-59.8	-42.7	174.8	45.5	0	0	0	0	111.1	F57 M61 S149 K153 V154 K155	F57-T151 HydrophobicContact CE2-CG2 3.92Å; F57-T151 HydrophobicContact CZ-CG2 3.83Å; M61-T151 HydrophobicContact CE-CG2 4.31Å; M61-T151 WeakPolarHBondContact CE-O 3.37Å; M61-T151 HydrophobicContact SD-CG2 4.05Å; S149-T151 VanDerWaalsContact C-N 3.29Å; S149-T151 WeakPolarHBondContact CB-OG1 3.39Å; S149-T151 PolarHBondContact OG-OG1 2.92Å; T151-K153 VanDerWaalsContact C-N 3.34Å; T151-K153 PolarHBondContact O-N 3.46Å; T151-V154 PolarHBondContact O-N 3.47Å; T151-K155 PolarHBondContact O-N 2.92Å
152	R	92.5	Very high	90.6	Very high	28 Å²	28	63.4 Å²	63.4	11%	0.106	30%	0.297	C	S	.	.	H	α-helix	trans	-55.5	-47	170.5	-177.6	-160.6	61.7	73.1	-3.5	112.2	Y144 D147 S149 F150 V154 K155 E156	Y144-R152 VanDerWaalsContact CB-CD 3.44Å; Y144-R152 HydrophobicContact CD1-CG 4.35Å; Y144-R152 HydrophobicContact CD2-CG 3.81Å; Y144-R152 HydrophobicContact CG-CG 3.67Å; D147-R152 HydrophobicContact CB-CB 4.45Å; D147-R152 HydrophobicContact CB-CG 4.26Å; D147-R152 WeakPolarHBondContact O-CD 3.43Å; D147-R152 PolarHBondContact O-NE 3.19Å; S149-R152 WeakPolarHBondContact O-CB 3.32Å; S149-R152 PolarHBondContact O-N 3.18Å; S149-R152 VanDerWaalsContact OG-CB 3.3Å; S149-R152 WeakPolarHBondContact OG-CB 3.48Å; S149-R152 PolarHBondContact OG-N 3.1Å; S149-R152 VanDerWaalsContact OG-N 3.1Å; F150-R152 VanDerWaalsContact C-N 3.33Å; F150-R152 PolarHBondContact O-N 3.46Å; R152-V154 VanDerWaalsContact C-N 3.26Å; R152-V154 PolarHBondContact O-N 3.25Å; R152-K155 PolarHBondContact O-N 3.05Å; R152-K155 VanDerWaalsContact O-N 3.13Å; R152-E156 IonicContact CZ-OE2 3.61Å; R152-E156 IonicContact NH1-OE2 3.32Å; R152-E156 PolarHBondContact NH1-OE2 3.42Å; R152-E156 WeakPolarHBondContact O-CB 3.23Å; R152-E156 PolarHBondContact O-N 2.87Å
153	K	91.7	Very high	90.7	Very high	48 Å²	48	60.8 Å²	60.8	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-34.5	179.4	-171.6	64.6	-179.2	173.8	0	112.3	S132 S149 F150 T151 E156 L157	S132-K153 PolarHBondContact OG-NZ 3.34Å; S149-K153 PolarHBondContact O-N 3.09Å; F150-K153 WeakPolarHBondContact O-CB 3.18Å; F150-K153 PolarHBondContact O-N 2.68Å; F150-K153 VanDerWaalsContact O-N 3.08Å; T151-K153 VanDerWaalsContact C-N 3.34Å; T151-K153 PolarHBondContact O-N 3.46Å; K153-E156 WeakPolarHBondContact CD-OE1 3.4Å; K153-E156 WeakPolarHBondContact CE-OE1 3.46Å; K153-E156 IonicContact NZ-OE1 2.55Å; K153-E156 PolarHBondContact NZ-OE1 2.83Å; K153-E156 WeakPolarHBondContact O-CB 3.11Å; K153-E156 PolarHBondContact O-N 2.93Å; K153-L157 PolarHBondContact O-N 3.08Å
154	V	93.1	Very high	90.9	Very high	19 Å²	19	59.8 Å²	59.8	12%	0.115	28%	0.282	C	S	.	.	H	α-helix	trans	-68.9	-42.7	173.6	176.9	0	0	0	0	111.7	F57 M61 F150 T151 R152 E156 L157 F158	F57-V154 HydrophobicContact CE1-CG2 4.36Å; M61-V154 HydrophobicContact CB-CG1 3.75Å; M61-V154 HydrophobicContact CE-CB 4.27Å; M61-V154 HydrophobicContact CE-CG1 4.47Å; M61-V154 HydrophobicContact CG-CG1 3.99Å; F150-V154 HydrophobicContact CD1-CG2 4.19Å; F150-V154 HydrophobicContact CE1-CG2 3.73Å; F150-V154 HydrophobicContact CZ-CG2 3.94Å; F150-V154 PolarHBondContact O-N 2.55Å; T151-V154 PolarHBondContact O-N 3.47Å; R152-V154 VanDerWaalsContact C-N 3.26Å; R152-V154 PolarHBondContact O-N 3.25Å; V154-E156 VanDerWaalsContact C-N 3.32Å; V154-E156 PolarHBondContact O-N 2.9Å; V154-L157 WeakPolarHBondContact O-CB 3.48Å; V154-L157 PolarHBondContact O-N 3.18Å; V154-F158 HydrophobicContact CG1-CD2 4.26Å; V154-F158 HydrophobicContact CG1-CE2 3.64Å; V154-F158 HydrophobicContact CG1-CZ 4.45Å; V154-F158 VanDerWaalsContact O-CD2 3.27Å; V154-F158 WeakPolarHBondContact O-CD2 3.46Å; V154-F158 PolarHBondContact O-N 2.99Å
155	K	94.5	Very high	91.3	Very high	43 Å²	43	66.6 Å²	66.6	19%	0.187	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-43.8	172.8	-62.2	-174.9	-69.2	173.8	0	111.2	M61 L64 Y144 T151 R152 L157 F158 V159	M61-K155 HydrophobicContact CE-CB 4.5Å; M61-K155 HydrophobicContact CE-CD 4.07Å; M61-K155 HydrophobicContact CE-CG 3.31Å; L64-K155 HydrophobicContact CB-CD 4.32Å; Y144-K155 HydrophobicContact CE2-CB 4.18Å; Y144-K155 VanDerWaalsContact OH-CB 3.28Å; Y144-K155 WeakPolarHBondContact OH-CB 3.13Å; T151-K155 PolarHBondContact O-N 2.92Å; R152-K155 PolarHBondContact O-N 3.05Å; R152-K155 VanDerWaalsContact O-N 3.13Å; K155-L157 PolarHBondContact O-N 3.42Å; K155-F158 PolarHBondContact O-N 3.28Å; K155-V159 VanDerWaalsContact O-CG2 3.3Å; K155-V159 WeakPolarHBondContact O-CG2 3.3Å; K155-V159 PolarHBondContact O-N 3.11Å
156	E	95.1	Very high	92.2	Very high	3 Å²	3	66.6 Å²	66.6	1%	0.014	31%	0.309	C	S	.	.	H	α-helix	trans	-53.3	-41.4	178.9	-171.5	-164.8	101.7	0	0	111.6	Q136 V139 Y144 R152 K153 V154 A160	Q136-E156 HydrophobicContact CB-CG 4.28Å; Q136-E156 WeakPolarHBondContact CB-OE1 3.47Å; Q136-E156 HydrophobicContact CG-CG 4.27Å; Q136-E156 VanDerWaalsContact CG-OE1 3.26Å; Q136-E156 WeakPolarHBondContact CG-OE1 3.26Å; Q136-E156 WeakPolarHBondContact O-CG 3.43Å; V139-E156 HydrophobicContact CB-CG 4.09Å; V139-E156 HydrophobicContact CG1-CB 4.22Å; V139-E156 HydrophobicContact CG1-CG 3.78Å; Y144-E156 HydrophobicContact CE2-CB 4.34Å; R152-E156 IonicContact CZ-OE2 3.61Å; R152-E156 IonicContact NH1-OE2 3.32Å; R152-E156 PolarHBondContact NH1-OE2 3.42Å; R152-E156 WeakPolarHBondContact O-CB 3.23Å; R152-E156 PolarHBondContact O-N 2.87Å; K153-E156 WeakPolarHBondContact CD-OE1 3.4Å; K153-E156 WeakPolarHBondContact CE-OE1 3.46Å; K153-E156 IonicContact NZ-OE1 2.55Å; K153-E156 PolarHBondContact NZ-OE1 2.83Å; K153-E156 WeakPolarHBondContact O-CB 3.11Å; K153-E156 PolarHBondContact O-N 2.93Å; V154-E156 VanDerWaalsContact C-N 3.32Å; V154-E156 PolarHBondContact O-N 2.9Å; E156-A160 WeakPolarHBondContact O-CB 3.41Å; E156-A160 PolarHBondContact O-N 2.87Å
157	L	94.6	Very high	93.3	Very high	62 Å²	62	59.6 Å²	59.6	33%	0.325	27%	0.27	S	S	.	.	H	α-helix	trans	-60.4	-46.2	174.3	-75.1	165	0	0	0	112.8	F110 K153 V154 K155 H161	F110-L157 HydrophobicContact CB-CD2 4.09Å; F110-L157 HydrophobicContact CD2-CD2 3.57Å; F110-L157 HydrophobicContact CE2-CD2 4.27Å; F110-L157 HydrophobicContact CG-CD2 3.99Å; K153-L157 PolarHBondContact O-N 3.08Å; V154-L157 WeakPolarHBondContact O-CB 3.48Å; V154-L157 PolarHBondContact O-N 3.18Å; K155-L157 PolarHBondContact O-N 3.42Å; L157-H161 PolarHBondContact O-N 3.18Å; L157-H161 VanDerWaalsContact O-N 3.1Å
158	F	96	Very high	94.2	Very high	54 Å²	54	60.7 Å²	60.7	24%	0.237	28%	0.276	C	S	.	.	H	α-helix	trans	-68.5	-41.9	179.5	-67.2	-55.4	0	0	0	112.7	I58 M61 Y62 S65 V154 K155 H161 R162	I58-F158 HydrophobicContact CG2-CZ 3.99Å; M61-F158 HydrophobicContact CB-CE2 4.09Å; Y62-F158 HydrophobicContact CD2-CB 4.46Å; Y62-F158 AromaticContact CD2-CD1 3.85Å; Y62-F158 HydrophobicContact CD2-CD1 3.85Å; Y62-F158 HydrophobicContact CD2-CE1 4.27Å; Y62-F158 HydrophobicContact CD2-CG 4.08Å; S65-F158 VanDerWaalsContact OG-CB 3.27Å; S65-F158 WeakPolarHBondContact OG-CB 3.33Å; V154-F158 HydrophobicContact CG1-CD2 4.26Å; V154-F158 HydrophobicContact CG1-CE2 3.64Å; V154-F158 HydrophobicContact CG1-CZ 4.45Å; V154-F158 VanDerWaalsContact O-CD2 3.27Å; V154-F158 WeakPolarHBondContact O-CD2 3.46Å; V154-F158 PolarHBondContact O-N 2.99Å; K155-F158 PolarHBondContact O-N 3.28Å; F158-H161 PolarHBondContact O-N 2.84Å; F158-R162 WeakPolarHBondContact O-CG 3.31Å; F158-R162 PolarHBondContact O-N 3.46Å
159	V	97.4	Very high	95.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.4	-43.7	176.4	-175.4	0	0	0	0	110	D68 V70 V139 F143 Y144 K155 H161 R162 V163	D68-V159 HydrophobicContact CB-CG2 4.06Å; V70-V159 HydrophobicContact CG1-CG1 3.96Å; V139-V159 HydrophobicContact CB-CG1 4.38Å; V139-V159 HydrophobicContact CG1-CB 3.65Å; V139-V159 HydrophobicContact CG1-CG1 3.73Å; V139-V159 HydrophobicContact CG1-CG2 4.25Å; V139-V159 HydrophobicContact CG2-CB 4.11Å; V139-V159 HydrophobicContact CG2-CG1 3.71Å; F143-V159 HydrophobicContact CD2-CG1 4.15Å; F143-V159 HydrophobicContact CE2-CG1 4.03Å; Y144-V159 HydrophobicContact CE2-CG2 4.41Å; Y144-V159 VanDerWaalsContact OH-CG2 3.29Å; Y144-V159 WeakPolarHBondContact OH-CG2 3.25Å; K155-V159 VanDerWaalsContact O-CG2 3.3Å; K155-V159 WeakPolarHBondContact O-CG2 3.3Å; K155-V159 PolarHBondContact O-N 3.11Å; V159-H161 VanDerWaalsContact C-N 3.28Å; V159-H161 PolarHBondContact O-N 3.23Å; V159-R162 CarbonylContact O-C 3.27Å; V159-R162 WeakPolarHBondContact O-CA 3.14Å; V159-R162 WeakPolarHBondContact O-CB 3.39Å; V159-R162 PolarHBondContact O-N 2.93Å; V159-V163 HydrophobicContact CG1-CG2 4.3Å; V159-V163 WeakPolarHBondContact O-CG2 3.35Å; V159-V163 PolarHBondContact O-N 3.42Å
160	A	97.8	Very high	95.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-40.4	178.5	0	0	0	0	0	111.7	T135 Q136 V139 E156 R162 V163 E164	T135-A160 HydrophobicContact CG2-CB 3.81Å; Q136-A160 HydrophobicContact CG-CB 4.13Å; V139-A160 HydrophobicContact CG2-CB 4.23Å; E156-A160 WeakPolarHBondContact O-CB 3.41Å; E156-A160 PolarHBondContact O-N 2.87Å; A160-R162 VanDerWaalsContact C-N 3.32Å; A160-R162 PolarHBondContact O-N 3.46Å; A160-V163 PolarHBondContact O-N 3.15Å; A160-E164 VanDerWaalsContact O-CG 3.23Å; A160-E164 WeakPolarHBondContact O-CG 3.31Å; A160-E164 PolarHBondContact O-N 3.25Å
161	H	96.6	Very high	96.3	Very high	90 Å²	90	45.3 Å²	45.3	42%	0.417	21%	0.213	S	C	.	.	H	α-helix	trans	-62.5	-37.6	173	-173.3	62.5	0	0	0	112.9	L157 F158 V159 K165	L157-H161 PolarHBondContact O-N 3.18Å; L157-H161 VanDerWaalsContact O-N 3.1Å; F158-H161 PolarHBondContact O-N 2.84Å; V159-H161 VanDerWaalsContact C-N 3.28Å; V159-H161 PolarHBondContact O-N 3.23Å; H161-K165 VanDerWaalsContact NE2-CE 3.33Å; H161-K165 WeakPolarHBondContact NE2-CE 3.22Å; H161-K165 WeakPolarHBondContact O-CG 3.32Å; H161-K165 PolarHBondContact O-N 3.11Å
162	R	97.3	Very high	96.6	Very high	51 Å²	51	42.6 Å²	42.6	19%	0.192	20%	0.197	C	C	.	.	H	α-helix	trans	-70	-39.1	175.3	-68.9	-175.8	-61.3	116.6	-0.1	112.1	S65 D68 V70 F158 V159 A160 E164 K165 Q166	S65-R162 PolarHBondContact O-NH2 3.01Å; D68-R162 VanDerWaalsContact O-CZ 3.29Å; D68-R162 PolarHBondContact O-NH1 2.9Å; D68-R162 PolarHBondContact O-NH2 3.05Å; V70-R162 HydrophobicContact CG1-CB 3.99Å; F158-R162 WeakPolarHBondContact O-CG 3.31Å; F158-R162 PolarHBondContact O-N 3.46Å; V159-R162 CarbonylContact O-C 3.27Å; V159-R162 WeakPolarHBondContact O-CA 3.14Å; V159-R162 WeakPolarHBondContact O-CB 3.39Å; V159-R162 PolarHBondContact O-N 2.93Å; A160-R162 VanDerWaalsContact C-N 3.32Å; A160-R162 PolarHBondContact O-N 3.46Å; R162-E164 VanDerWaalsContact C-N 3.32Å; R162-E164 PolarHBondContact O-N 3.35Å; R162-K165 PolarHBondContact O-N 2.93Å; R162-Q166 PolarHBondContact O-N 3.27Å
163	V	98.5	Very high	96.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-46.2	173.8	169.9	0	0	0	0	110.4	V70 L73 T135 V139 V159 A160 K165 Q166 Y167 I172	V70-V163 HydrophobicContact CB-CG2 4.13Å; V70-V163 HydrophobicContact CG1-CG2 3.6Å; L73-V163 HydrophobicContact CD1-CB 4.48Å; L73-V163 HydrophobicContact CD1-CG1 4Å; L73-V163 HydrophobicContact CD1-CG2 3.63Å; T135-V163 HydrophobicContact CG2-CB 4.14Å; T135-V163 HydrophobicContact CG2-CG1 3.91Å; V139-V163 HydrophobicContact CG2-CG2 3.89Å; V159-V163 HydrophobicContact CG1-CG2 4.3Å; V159-V163 WeakPolarHBondContact O-CG2 3.35Å; V159-V163 PolarHBondContact O-N 3.42Å; A160-V163 PolarHBondContact O-N 3.15Å; V163-K165 VanDerWaalsContact C-N 3.25Å; V163-K165 PolarHBondContact O-N 3.34Å; V163-Q166 PolarHBondContact O-N 2.93Å; V163-Q166 VanDerWaalsContact O-N 3.09Å; V163-Y167 HydrophobicContact CG1-CD2 4.02Å; V163-Y167 PolarHBondContact O-N 3.15Å; V163-I172 HydrophobicContact CG1-CD1 3.96Å; V163-I172 HydrophobicContact CG1-CG1 3.81Å
164	E	98.3	Very high	97.3	Very high	20 Å²	20	39.1 Å²	39.1	9%	0.093	18%	0.183	C	C	.	.	H	α-helix	trans	-69.8	-19.3	-179.3	-68.5	-98.1	-154.8	0	0	114.3	H107 H108 G109 T135 A160 R162 K169 I172	H107-E164 IonicContact CE1-OE1 3.02Å; H107-E164 IonicContact ND1-OE1 3.47Å; H108-E164 HydrophobicContact CB-CB 4.42Å; G109-E164 VanDerWaalsContact CA-OE1 3.29Å; G109-E164 WeakPolarHBondContact CA-OE1 3.17Å; G109-E164 VanDerWaalsContact N-CG 3.31Å; G109-E164 PolarHBondContact N-OE1 3.01Å; T135-E164 HydrophobicContact CG2-CG 3.53Å; T135-E164 PolarHBondContact OG1-OE1 2.76Å; A160-E164 VanDerWaalsContact O-CG 3.23Å; A160-E164 WeakPolarHBondContact O-CG 3.31Å; A160-E164 PolarHBondContact O-N 3.25Å; R162-E164 VanDerWaalsContact C-N 3.32Å; R162-E164 PolarHBondContact O-N 3.35Å; E164-K169 IonicContact OE1-NZ 2.72Å; E164-K169 PolarHBondContact OE1-NZ 2.91Å; E164-K169 WeakPolarHBondContact OE2-CE 3.48Å; E164-K169 IonicContact OE2-NZ 3.64Å; E164-K169 PolarHBondContact OE2-NZ 3.12Å; E164-I172 HydrophobicContact CG-CD1 4.01Å
165	K	97.7	Very high	97.5	Very high	157 Å²	157	38.2 Å²	38.2	68%	0.683	18%	0.177	S	C	*	.	H	α-helix	trans	-81.2	-28.9	170.7	-75.2	-175.6	173.8	-171.7	0	112.9	H161 R162 V163	H161-K165 VanDerWaalsContact NE2-CE 3.33Å; H161-K165 WeakPolarHBondContact NE2-CE 3.22Å; H161-K165 WeakPolarHBondContact O-CG 3.32Å; H161-K165 PolarHBondContact O-N 3.11Å; R162-K165 PolarHBondContact O-N 2.93Å; V163-K165 VanDerWaalsContact C-N 3.25Å; V163-K165 PolarHBondContact O-N 3.34Å
166	Q	98.1	Very high	97.7	Very high	112 Å²	112	36.2 Å²	36.2	52%	0.523	17%	0.169	S	C	.	.	H	α-helix	trans	-94.5	-35.3	-172	-174.4	65.5	18	0	0	112.4	V70 R162 V163	V70-Q166 HydrophobicContact CG2-CB 4.31Å; V70-Q166 HydrophobicContact CG2-CG 4.33Å; R162-Q166 PolarHBondContact O-N 3.27Å; V163-Q166 PolarHBondContact O-N 2.93Å; V163-Q166 VanDerWaalsContact O-N 3.09Å
167	Y	98.5	Very high	97.9	Very high	11 Å²	11	36 Å²	36	4%	0.043	17%	0.168	C	C	.	.	S	Bend	trans	-121.7	146	-171.9	-59.3	-71.4	0	0	0	111.4	V70 D71 L73 R74 V163 E171 F175	V70-Y167 HydrophobicContact CB-CE2 4.34Å; V70-Y167 WeakPolarHBondContact O-CE2 2.96Å; V70-Y167 PolarHBondContact O-OH 2.85Å; D71-Y167 VanDerWaalsContact CA-OH 3.32Å; D71-Y167 WeakPolarHBondContact CA-OH 3.49Å; L73-Y167 HydrophobicContact CB-CE2 4.33Å; L73-Y167 HydrophobicContact CD1-CD2 4.44Å; L73-Y167 HydrophobicContact CD1-CE2 4.03Å; R74-Y167 HydrophobicContact CG-CE1 4.23Å; V163-Y167 HydrophobicContact CG1-CD2 4.02Å; V163-Y167 PolarHBondContact O-N 3.15Å; Y167-E171 WeakPolarHBondContact CA-OE2 3.23Å; Y167-E171 HydrophobicContact CD1-CB 4.47Å; Y167-F175 AromaticContact CD1-CE2 3.74Å; Y167-F175 HydrophobicContact CD1-CE2 3.74Å; Y167-F175 AromaticContact CD1-CZ 3.96Å; Y167-F175 HydrophobicContact CD1-CZ 3.96Å; Y167-F175 AromaticContact CD2-CE2 3.89Å; Y167-F175 HydrophobicContact CD2-CE2 3.89Å; Y167-F175 AromaticContact CE1-CE2 3.88Å; Y167-F175 HydrophobicContact CE1-CE2 3.88Å; Y167-F175 AromaticContact CE1-CZ 3.85Å; Y167-F175 HydrophobicContact CE1-CZ 3.85Å; Y167-F175 HydrophobicContact CE2-CE2 4.01Å; Y167-F175 AromaticContact CG-CE2 3.72Å; Y167-F175 HydrophobicContact CG-CE2 3.72Å; Y167-F175 HydrophobicContact CG-CZ 4.41Å; Y167-F175 AromaticContact CZ-CE2 3.99Å
168	N	98.2	Very high	98.1	Very high	85 Å²	85	33.1 Å²	33.1	46%	0.455	15%	0.152	S	C	.	.			trans	-77.6	168.6	172.6	73.8	60	0	0	0	111.5	N170 E171 I172	N168-N170 VanDerWaalsContact C-N 3.34Å; N168-N170 PolarHBondContact O-N 3.31Å; N168-N170 PolarHBondContact OD1-N 3.02Å; N168-E171 PolarHBondContact N-OE2 3.19Å; N168-E171 WeakPolarHBondContact ND2-CG 3.36Å; N168-E171 PolarHBondContact ND2-OE2 3.02Å; N168-E171 WeakPolarHBondContact O-CB 3.3Å; N168-E171 PolarHBondContact O-N 3.27Å; N168-E171 PolarHBondContact OD1-N 2.94Å; N168-I172 WeakPolarHBondContact O-CG1 3.39Å; N168-I172 PolarHBondContact O-N 3.13Å
169	K	98.3	Very high	98.1	Very high	34 Å²	34	31.9 Å²	31.9	15%	0.148	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-36.9	-175	-67.8	-67.3	-176.8	175.9	0	114.1	F104 Y105 H107 E164 I172 L173	F104-K169 HydrophobicContact CD1-CD 4.49Å; F104-K169 HydrophobicContact CE1-CB 3.92Å; F104-K169 HydrophobicContact CE1-CD 4.05Å; F104-K169 VanDerWaalsContact CE1-O 3.3Å; F104-K169 WeakPolarHBondContact CE1-O 3.48Å; F104-K169 HydrophobicContact CE2-CD 4.12Å; F104-K169 HydrophobicContact CZ-CB 4.25Å; F104-K169 HydrophobicContact CZ-CD 3.86Å; F104-K169 VanDerWaalsContact CZ-O 3.25Å; F104-K169 WeakPolarHBondContact CZ-O 3.46Å; F104-K169 WeakPolarHBondContact O-CD 3.18Å; F104-K169 WeakPolarHBondContact O-CE 3.29Å; F104-K169 PolarHBondContact O-NZ 3.3Å; Y105-K169 HydrophobicContact CD1-CB 3.53Å; Y105-K169 HydrophobicContact CD1-CG 3.87Å; Y105-K169 HydrophobicContact CE1-CB 3.66Å; Y105-K169 HydrophobicContact CE1-CG 4.49Å; H107-K169 VanDerWaalsContact O-CE 3.26Å; H107-K169 WeakPolarHBondContact O-CE 3.34Å; H107-K169 PolarHBondContact O-NZ 3.4Å; E164-K169 IonicContact OE1-NZ 2.72Å; E164-K169 PolarHBondContact OE1-NZ 2.91Å; E164-K169 WeakPolarHBondContact OE2-CE 3.48Å; E164-K169 IonicContact OE2-NZ 3.64Å; E164-K169 PolarHBondContact OE2-NZ 3.12Å; K169-I172 PolarHBondContact O-N 3.28Å; K169-L173 WeakPolarHBondContact O-CB 3.49Å; K169-L173 PolarHBondContact O-N 3.36Å
170	N	98.1	Very high	98.1	Very high	38 Å²	38	32 Å²	32	20%	0.203	15%	0.149	C	C	.	.	H	α-helix	trans	-72.9	-33.4	179.2	-71.5	-13.3	0	0	0	111.5	D86 Y105 N168 S174	D86-N170 WeakPolarHBondContact OD1-CB 3.46Å; D86-N170 PolarHBondContact OD1-ND2 2.93Å; Y105-N170 PolarHBondContact OH-OD1 3.03Å; N168-N170 VanDerWaalsContact C-N 3.34Å; N168-N170 PolarHBondContact O-N 3.31Å; N168-N170 PolarHBondContact OD1-N 3.02Å; N170-S174 WeakPolarHBondContact O-CB 2.67Å; N170-S174 PolarHBondContact O-N 3.5Å; N170-S174 PolarHBondContact O-OG 3.22Å
171	E	98.6	Very high	98	Very high	39 Å²	39	35.4 Å²	35.4	18%	0.182	16%	0.162	C	C	.	.	H	α-helix	trans	-64.7	-46.8	171.4	-67.4	174.8	128.3	0	0	111.4	R74 Y167 N168 L173 S174 F175	R74-E171 IonicContact CZ-OE1 3.96Å; R74-E171 VanDerWaalsContact CZ-OE1 3.24Å; R74-E171 IonicContact NH1-OE1 2.68Å; R74-E171 PolarHBondContact NH1-OE1 3.11Å; R74-E171 IonicContact NH2-OE1 3.02Å; R74-E171 PolarHBondContact NH2-OE1 3.37Å; Y167-E171 WeakPolarHBondContact CA-OE2 3.23Å; Y167-E171 HydrophobicContact CD1-CB 4.47Å; N168-E171 PolarHBondContact N-OE2 3.19Å; N168-E171 WeakPolarHBondContact ND2-CG 3.36Å; N168-E171 PolarHBondContact ND2-OE2 3.02Å; N168-E171 WeakPolarHBondContact O-CB 3.3Å; N168-E171 PolarHBondContact O-N 3.27Å; N168-E171 PolarHBondContact OD1-N 2.94Å; E171-L173 VanDerWaalsContact C-N 3.33Å; E171-L173 PolarHBondContact O-N 2.79Å; E171-S174 WeakPolarHBondContact O-CA 3.41Å; E171-S174 VanDerWaalsContact O-CB 3.3Å; E171-S174 WeakPolarHBondContact O-CB 3.41Å; E171-S174 PolarHBondContact O-N 2.66Å; E171-S174 VanDerWaalsContact O-N 3.09Å; E171-F175 HydrophobicContact CB-CE2 4.36Å; E171-F175 HydrophobicContact CB-CZ 4.42Å; E171-F175 WeakPolarHBondContact O-CD2 3.47Å; E171-F175 VanDerWaalsContact O-CG 3.3Å; E171-F175 WeakPolarHBondContact O-CG 3.49Å; E171-F175 PolarHBondContact O-N 3.05Å
172	I	98.8	Very high	98	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-44.2	177.4	-64.8	169.2	0	0	0	110.9	F104 T135 V138 V163 E164 N168 K169 S174 F175 Y176	F104-I172 HydrophobicContact CE2-CG2 3.93Å; F104-I172 HydrophobicContact CZ-CB 4.08Å; F104-I172 HydrophobicContact CZ-CG2 3.93Å; T135-I172 HydrophobicContact CG2-CG2 4.3Å; V138-I172 HydrophobicContact CG2-CG2 4.21Å; V163-I172 HydrophobicContact CG1-CD1 3.96Å; V163-I172 HydrophobicContact CG1-CG1 3.81Å; E164-I172 HydrophobicContact CG-CD1 4.01Å; N168-I172 WeakPolarHBondContact O-CG1 3.39Å; N168-I172 PolarHBondContact O-N 3.13Å; K169-I172 PolarHBondContact O-N 3.28Å; I172-S174 VanDerWaalsContact C-N 3.3Å; I172-S174 PolarHBondContact O-N 3.29Å; I172-F175 PolarHBondContact O-N 3.46Å; I172-Y176 PolarHBondContact O-N 3.24Å
173	L	98.7	Very high	98	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-37.9	175.5	-174.9	60.4	0	0	0	111.5	A85 K93 I97 F104 I134 K169 E171 Y176 L177	A85-L173 HydrophobicContact CB-CB 4.12Å; A85-L173 HydrophobicContact CB-CD2 3.96Å; A85-L173 HydrophobicContact CB-CG 3.99Å; K93-L173 HydrophobicContact CB-CD2 4Å; K93-L173 HydrophobicContact CD-CD2 3.8Å; K93-L173 HydrophobicContact CG-CD2 3.79Å; I97-L173 HydrophobicContact CD1-CD2 3.85Å; I97-L173 HydrophobicContact CG1-CD1 4.27Å; I97-L173 HydrophobicContact CG1-CD2 4.37Å; F104-L173 HydrophobicContact CE1-CB 3.87Å; F104-L173 HydrophobicContact CZ-CB 4.07Å; I134-L173 HydrophobicContact CD1-CD1 4.17Å; I134-L173 HydrophobicContact CG2-CD1 4.48Å; K169-L173 WeakPolarHBondContact O-CB 3.49Å; K169-L173 PolarHBondContact O-N 3.36Å; E171-L173 VanDerWaalsContact C-N 3.33Å; E171-L173 PolarHBondContact O-N 2.79Å; L173-Y176 HydrophobicContact CD1-CD1 4.33Å; L173-Y176 WeakPolarHBondContact O-CB 3.39Å; L173-Y176 PolarHBondContact O-N 3.24Å; L173-L177 HydrophobicContact CD1-CD1 4.05Å; L173-L177 HydrophobicContact CD1-CD2 4.47Å; L173-L177 HydrophobicContact CD1-CG 4.05Å; L173-L177 HydrophobicContact CG-CD1 3.92Å; L173-L177 HydrophobicContact CG-CG 4.29Å; L173-L177 WeakPolarHBondContact O-CG 3.34Å; L173-L177 PolarHBondContact O-N 3.32Å
174	S	98.8	Very high	97.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-45.1	173.7	-57.3	0	0	0	0	111.2	A85 N170 E171 I172 Y176 N178	A85-S174 WeakPolarHBondContact CB-OG 3.41Å; A85-S174 PolarHBondContact N-OG 2.78Å; N170-S174 WeakPolarHBondContact O-CB 2.67Å; N170-S174 PolarHBondContact O-N 3.5Å; N170-S174 PolarHBondContact O-OG 3.22Å; E171-S174 WeakPolarHBondContact O-CA 3.41Å; E171-S174 VanDerWaalsContact O-CB 3.3Å; E171-S174 WeakPolarHBondContact O-CB 3.41Å; E171-S174 PolarHBondContact O-N 2.66Å; E171-S174 VanDerWaalsContact O-N 3.09Å; I172-S174 VanDerWaalsContact C-N 3.3Å; I172-S174 PolarHBondContact O-N 3.29Å; S174-Y176 VanDerWaalsContact C-N 3.29Å; S174-Y176 PolarHBondContact O-N 3.2Å; S174-N178 VanDerWaalsContact O-CB 3.27Å; S174-N178 WeakPolarHBondContact O-CB 3.48Å; S174-N178 PolarHBondContact O-N 2.93Å; S174-N178 PolarHBondContact O-ND2 3.25Å
175	F	98.7	Very high	97.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-38.9	175.9	-59.2	-31.7	0	0	0	112.1	L73 I76 E77 V138 Y167 E171 I172 N179	L73-F175 HydrophobicContact CB-CD2 3.89Å; L73-F175 HydrophobicContact CB-CE2 3.84Å; L73-F175 HydrophobicContact CB-CG 4.25Å; L73-F175 HydrophobicContact CB-CZ 4.17Å; L73-F175 HydrophobicContact CD1-CD2 4Å; L73-F175 HydrophobicContact CD1-CE2 4.29Å; L73-F175 HydrophobicContact CG-CD2 4.48Å; I76-F175 HydrophobicContact CB-CD1 4.24Å; I76-F175 HydrophobicContact CD1-CB 3.77Å; I76-F175 HydrophobicContact CD1-CD1 4.11Å; I76-F175 HydrophobicContact CD1-CG 4.14Å; E77-F175 HydrophobicContact CG-CE1 4.19Å; V138-F175 HydrophobicContact CG1-CB 3.89Å; V138-F175 HydrophobicContact CG2-CB 4.3Å; Y167-F175 AromaticContact CD1-CE2 3.74Å; Y167-F175 HydrophobicContact CD1-CE2 3.74Å; Y167-F175 AromaticContact CD1-CZ 3.96Å; Y167-F175 HydrophobicContact CD1-CZ 3.96Å; Y167-F175 AromaticContact CD2-CE2 3.89Å; Y167-F175 HydrophobicContact CD2-CE2 3.89Å; Y167-F175 AromaticContact CE1-CE2 3.88Å; Y167-F175 HydrophobicContact CE1-CE2 3.88Å; Y167-F175 AromaticContact CE1-CZ 3.85Å; Y167-F175 HydrophobicContact CE1-CZ 3.85Å; Y167-F175 HydrophobicContact CE2-CE2 4.01Å; Y167-F175 AromaticContact CG-CE2 3.72Å; Y167-F175 HydrophobicContact CG-CE2 3.72Å; Y167-F175 HydrophobicContact CG-CZ 4.41Å; Y167-F175 AromaticContact CZ-CE2 3.99Å; E171-F175 HydrophobicContact CB-CE2 4.36Å; E171-F175 HydrophobicContact CB-CZ 4.42Å; E171-F175 WeakPolarHBondContact O-CD2 3.47Å; E171-F175 VanDerWaalsContact O-CG 3.3Å; E171-F175 WeakPolarHBondContact O-CG 3.49Å; E171-F175 PolarHBondContact O-N 3.05Å; I172-F175 PolarHBondContact O-N 3.46Å; F175-N179 WeakPolarHBondContact O-CB 3.46Å; F175-N179 PolarHBondContact O-N 2.84Å; F175-N179 VanDerWaalsContact O-N 3.17Å
176	Y	98.4	Very high	97.7	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-59	176.4	179.5	-111.6	0	0	0	111.5	F96 I134 Q137 V138 I172 L173 S174 N178 N179 I180	F96-Y176 HydrophobicContact CB-CE1 4.24Å; F96-Y176 AromaticContact CD1-CE1 3.93Å; F96-Y176 HydrophobicContact CD1-CE1 3.93Å; F96-Y176 HydrophobicContact CG-CE1 4.43Å; I134-Y176 HydrophobicContact CG1-CD1 4.39Å; I134-Y176 HydrophobicContact CG1-CE1 4.33Å; I134-Y176 HydrophobicContact CG2-CD1 4.02Å; I134-Y176 HydrophobicContact CG2-CD2 4.11Å; I134-Y176 HydrophobicContact CG2-CG 3.68Å; Q137-Y176 HydrophobicContact CB-CD2 4Å; Q137-Y176 HydrophobicContact CB-CE2 3.63Å; Q137-Y176 HydrophobicContact CG-CE2 4.38Å; Q137-Y176 PolarHBondContact OE1-OH 3.07Å; V138-Y176 HydrophobicContact CG2-CD2 4.27Å; V138-Y176 HydrophobicContact CG2-CG 4.41Å; I172-Y176 PolarHBondContact O-N 3.24Å; L173-Y176 HydrophobicContact CD1-CD1 4.33Å; L173-Y176 WeakPolarHBondContact O-CB 3.39Å; L173-Y176 PolarHBondContact O-N 3.24Å; S174-Y176 VanDerWaalsContact C-N 3.29Å; S174-Y176 PolarHBondContact O-N 3.2Å; Y176-N178 PolarHBondContact O-N 3.45Å; Y176-N178 VanDerWaalsContact O-N 3.13Å; Y176-N179 PolarHBondContact O-N 3.08Å; Y176-I180 HydrophobicContact CD1-CD1 4.2Å; Y176-I180 HydrophobicContact CD2-CG2 3.5Å; Y176-I180 VanDerWaalsContact CD2-CG2 3.5Å; Y176-I180 HydrophobicContact CE1-CD1 3.72Å; Y176-I180 HydrophobicContact CE2-CD1 4.24Å; Y176-I180 HydrophobicContact CE2-CG2 3.36Å; Y176-I180 HydrophobicContact CG-CG2 4.17Å; Y176-I180 WeakPolarHBondContact O-CG2 3.26Å; Y176-I180 PolarHBondContact O-N 3.19Å
177	L	98.6	Very high	97.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.4	-20.6	-175.1	-61.5	178.4	0	0	0	113	M88 F96 L173 L189	M88-L177 HydrophobicContact CE-CB 4.31Å; M88-L177 HydrophobicContact CE-CD1 4Å; M88-L177 HydrophobicContact SD-CD1 3.56Å; M88-L177 VanDerWaalsContact SD-CD1 3.56Å; F96-L177 HydrophobicContact CB-CD2 3.94Å; F96-L177 HydrophobicContact CD1-CD2 3.53Å; F96-L177 HydrophobicContact CD2-CD2 3.45Å; F96-L177 VanDerWaalsContact CD2-CD2 3.45Å; F96-L177 HydrophobicContact CE1-CD2 3.85Å; F96-L177 HydrophobicContact CE2-CD2 3.82Å; F96-L177 HydrophobicContact CG-CD2 3.33Å; F96-L177 HydrophobicContact CZ-CD2 4.02Å; L173-L177 HydrophobicContact CD1-CD1 4.05Å; L173-L177 HydrophobicContact CD1-CD2 4.47Å; L173-L177 HydrophobicContact CD1-CG 4.05Å; L173-L177 HydrophobicContact CG-CD1 3.92Å; L173-L177 HydrophobicContact CG-CG 4.29Å; L173-L177 WeakPolarHBondContact O-CG 3.34Å; L173-L177 PolarHBondContact O-N 3.32Å; L177-L189 HydrophobicContact CB-CB 4.22Å; L177-L189 HydrophobicContact CB-CD2 4.37Å; L177-L189 HydrophobicContact CD1-CD2 4.14Å; L177-L189 HydrophobicContact CD2-CD2 4.25Å; L177-L189 HydrophobicContact CG-CD2 4.49Å; L177-L189 WeakPolarHBondContact O-CB 3.38Å; L177-L189 PolarHBondContact O-N 3.07Å
178	N	98.6	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	12.2	177.6	-63.7	-78.3	0	0	0	113.8	I76 K79 F82 V83 S174 Y176 Y187 T188	I76-N178 HydrophobicContact CG2-CB 3.62Å; I76-N178 WeakPolarHBondContact CG2-O 3.4Å; K79-N178 WeakPolarHBondContact CD-O 3.3Å; K79-N178 WeakPolarHBondContact CE-O 3.29Å; K79-N178 PolarHBondContact NZ-O 2.91Å; F82-N178 WeakPolarHBondContact CA-OD1 3.27Å; F82-N178 HydrophobicContact CD2-CB 3.66Å; F82-N178 VanDerWaalsContact CD2-CG 3.46Å; F82-N178 HydrophobicContact CE2-CB 4.05Å; V83-N178 PolarHBondContact N-OD1 2.98Å; V83-N178 PolarHBondContact O-ND2 2.87Å; S174-N178 VanDerWaalsContact O-CB 3.27Å; S174-N178 WeakPolarHBondContact O-CB 3.48Å; S174-N178 PolarHBondContact O-N 2.93Å; S174-N178 PolarHBondContact O-ND2 3.25Å; Y176-N178 PolarHBondContact O-N 3.45Å; Y176-N178 VanDerWaalsContact O-N 3.13Å; N178-Y187 CarbonylContact C-O 3.11Å; N178-T188 HydrophobicContact CB-CG2 4.27Å
179	N	97.1	Very high	97.7	Very high	29 Å²	29	27.8 Å²	27.8	16%	0.155	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.8	16.3	176.9	-158.8	57	0	0	0	115.1	I76 K79 F175 Y176 Y187	I76-N179 HydrophobicContact CD1-CB 3.83Å; I76-N179 HydrophobicContact CG1-CB 4.21Å; I76-N179 HydrophobicContact CG2-CB 4.38Å; K79-N179 PolarHBondContact NZ-OD1 2.76Å; F175-N179 WeakPolarHBondContact O-CB 3.46Å; F175-N179 PolarHBondContact O-N 2.84Å; F175-N179 VanDerWaalsContact O-N 3.17Å; Y176-N179 PolarHBondContact O-N 3.08Å; N179-Y187 WeakPolarHBondContact CA-O 3.02Å; N179-Y187 PolarHBondContact N-O 3.08Å
180	I	96	Very high	97.7	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	13%	0.131	C	C	.	.	S	Bend	trans	-100.6	147.8	173.2	64.7	-174	0	0	0	110.5	F96 N141 Y176 F182 Y187 V223	F96-I180 HydrophobicContact CD1-CD1 4.22Å; F96-I180 HydrophobicContact CE1-CD1 3.96Å; N141-I180 WeakPolarHBondContact ND2-CG2 3.14Å; Y176-I180 HydrophobicContact CD1-CD1 4.2Å; Y176-I180 HydrophobicContact CD2-CG2 3.5Å; Y176-I180 VanDerWaalsContact CD2-CG2 3.5Å; Y176-I180 HydrophobicContact CE1-CD1 3.72Å; Y176-I180 HydrophobicContact CE2-CD1 4.24Å; Y176-I180 HydrophobicContact CE2-CG2 3.36Å; Y176-I180 HydrophobicContact CG-CG2 4.17Å; Y176-I180 WeakPolarHBondContact O-CG2 3.26Å; Y176-I180 PolarHBondContact O-N 3.19Å; I180-F182 HydrophobicContact CD1-CE1 4.02Å; I180-F182 HydrophobicContact CD1-CE2 4Å; I180-F182 HydrophobicContact CD1-CZ 3.48Å; I180-F182 VanDerWaalsContact CD1-CZ 3.48Å; I180-F182 HydrophobicContact CG1-CD2 4.08Å; I180-F182 HydrophobicContact CG1-CE1 4.16Å; I180-F182 HydrophobicContact CG1-CE2 3.35Å; I180-F182 HydrophobicContact CG1-CZ 3.41Å; I180-F182 VanDerWaalsContact CG1-CZ 3.41Å; I180-F182 VanDerWaalsContact O-CD2 3.23Å; I180-F182 WeakPolarHBondContact O-CD2 3.42Å; I180-Y187 CarbonylContact O-C 3.06Å; I180-Y187 WeakPolarHBondContact O-CA 3.17Å; I180-V223 HydrophobicContact CD1-CG1 4.06Å; I180-V223 HydrophobicContact CD1-CG2 3.57Å; I180-V223 HydrophobicContact CG1-CG2 4.22Å
181	Y	96.3	Very high	97.7	Very high	72 Å²	72	25.9 Å²	25.9	28%	0.282	13%	0.125	S	C	.	.			trans	-82.5	119.9	-179.7	-176.8	-130.4	0	0	0	111.2	D184 Q186 Y187 P226	Y181-D184 PolarHBondContact OH-N 2.87Å; Y181-Q186 WeakPolarHBondContact CD2-O 3.3Å; Y181-Y187 HydrophobicContact CD2-CD1 4.04Å; Y181-Y187 HydrophobicContact CD2-CD2 4.37Å; Y181-Y187 AromaticContact CD2-CE1 3.58Å; Y181-Y187 HydrophobicContact CD2-CE1 3.58Å; Y181-Y187 AromaticContact CD2-CE2 3.93Å; Y181-Y187 HydrophobicContact CD2-CE2 3.93Å; Y181-Y187 HydrophobicContact CD2-CG 4.42Å; Y181-Y187 AromaticContact CD2-CZ 3.52Å; Y181-Y187 HydrophobicContact CE2-CE1 4.46Å; Y181-Y187 HydrophobicContact CE2-CE2 4.14Å; Y181-Y187 AromaticContact CE2-CZ 3.95Å; Y181-Y187 AromaticContact CG-CE1 3.99Å; Y181-Y187 HydrophobicContact CG-CE1 3.99Å; Y181-P226 HydrophobicContact CD1-CB 3.85Å; Y181-P226 HydrophobicContact CD1-CG 3.52Å; Y181-P226 HydrophobicContact CE1-CB 4.13Å; Y181-P226 HydrophobicContact CE1-CG 4.08Å; Y181-P226 HydrophobicContact CG-CG 4.37Å; Y181-P226 WeakPolarHBondContact O-CB 3.36Å
182	F	97.3	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.			trans	-101.3	10.8	179.5	-68.7	-83.9	0	0	0	113.1	F96 I180 Q186 L189 A192 Y196 L219 K222 V223	F96-F182 AromaticContact CE1-CE1 3.69Å; F96-F182 HydrophobicContact CE1-CE1 3.69Å; F96-F182 AromaticContact CE1-CZ 3.97Å; F96-F182 HydrophobicContact CE1-CZ 3.97Å; F96-F182 AromaticContact CZ-CE1 3.73Å; F96-F182 HydrophobicContact CZ-CE1 3.73Å; F96-F182 HydrophobicContact CZ-CZ 4.04Å; I180-F182 HydrophobicContact CD1-CE1 4.02Å; I180-F182 HydrophobicContact CD1-CE2 4Å; I180-F182 HydrophobicContact CD1-CZ 3.48Å; I180-F182 VanDerWaalsContact CD1-CZ 3.48Å; I180-F182 HydrophobicContact CG1-CD2 4.08Å; I180-F182 HydrophobicContact CG1-CE1 4.16Å; I180-F182 HydrophobicContact CG1-CE2 3.35Å; I180-F182 HydrophobicContact CG1-CZ 3.41Å; I180-F182 VanDerWaalsContact CG1-CZ 3.41Å; I180-F182 VanDerWaalsContact O-CD2 3.23Å; I180-F182 WeakPolarHBondContact O-CD2 3.42Å; F182-Q186 HydrophobicContact CB-CB 4.07Å; F182-Q186 PolarHBondContact N-O 3.35Å; F182-L189 HydrophobicContact CE1-CD1 3.81Å; F182-L189 HydrophobicContact CE2-CB 4.16Å; F182-L189 HydrophobicContact CZ-CB 3.9Å; F182-L189 HydrophobicContact CZ-CD1 3.72Å; F182-L189 HydrophobicContact CZ-CG 4.4Å; F182-A192 HydrophobicContact CB-CB 3.59Å; F182-A192 HydrophobicContact CD1-CB 4.13Å; F182-A192 HydrophobicContact CD2-CB 4Å; F182-A192 HydrophobicContact CG-CB 3.66Å; F182-Y196 WeakPolarHBondContact O-CE2 3.46Å; F182-Y196 PolarHBondContact O-OH 3.2Å; F182-L219 HydrophobicContact CD1-CB 4.32Å; F182-L219 HydrophobicContact CD1-CD2 4.49Å; F182-L219 HydrophobicContact CE1-CB 4.23Å; F182-K222 WeakPolarHBondContact O-CD 3.28Å; F182-K222 WeakPolarHBondContact O-CE 3.23Å; F182-V223 HydrophobicContact CD1-CG2 3.86Å; F182-V223 HydrophobicContact CE1-CG2 3.61Å; F182-V223 HydrophobicContact CZ-CG2 4.35Å
183	G	96.3	Very high	97.7	Very high	1 Å²	1	24 Å²	24	1%	0.01	12%	0.116	C	C	.	.	S	Bend	trans	84.7	165.3	-171.6	0	0	0	0	0	112.5	N185 Q186	G183-N185 VanDerWaalsContact C-N 3.26Å; G183-N185 PolarHBondContact O-N 3.33Å; G183-N185 VanDerWaalsContact O-N 3.12Å; G183-Q186 VanDerWaalsContact O-CB 3.29Å; G183-Q186 WeakPolarHBondContact O-CB 3.32Å; G183-Q186 WeakPolarHBondContact O-CG 3.49Å; G183-Q186 PolarHBondContact O-N 2.85Å
184	D	95.1	Very high	97.7	Very high	83 Å²	83	26.9 Å²	26.9	44%	0.444	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	42.3	175.1	-52.9	-24	0	0	0	115	Y181 Q186 H195 Y196	Y181-D184 PolarHBondContact OH-N 2.87Å; D184-Q186 PolarHBondContact O-N 3.34Å; D184-Q186 PolarHBondContact O-NE2 2.94Å; D184-Q186 VanDerWaalsContact O-NE2 3.15Å; D184-H195 WeakPolarHBondContact CB-NE2 3.37Å; D184-H195 IonicContact OD2-CD2 3.77Å; D184-H195 IonicContact OD2-NE2 2.75Å; D184-H195 PolarHBondContact OD2-NE2 2.8Å; D184-Y196 WeakPolarHBondContact OD2-CE1 3.47Å; D184-Y196 PolarHBondContact OD2-OH 3.18Å
185	N	95.7	Very high	97.6	Very high	128 Å²	128	31.4 Å²	31.4	68%	0.684	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	20.8	-176.2	-59.3	-41.5	0	0	0	114.9	G183 Y187	G183-N185 VanDerWaalsContact C-N 3.26Å; G183-N185 PolarHBondContact O-N 3.33Å; G183-N185 VanDerWaalsContact O-N 3.12Å; N185-Y187 WeakPolarHBondContact O-CD2 3.37Å
186	Q	97.7	Very high	97.6	Very high	42 Å²	42	32.6 Å²	32.6	20%	0.196	16%	0.157	C	C	.	.			trans	-91.4	119.3	176.2	-55.6	-52.8	-43.6	0	0	110.7	Y181 F182 G183 D184 G191 A192 H195	Y181-Q186 WeakPolarHBondContact CD2-O 3.3Å; F182-Q186 HydrophobicContact CB-CB 4.07Å; F182-Q186 PolarHBondContact N-O 3.35Å; G183-Q186 VanDerWaalsContact O-CB 3.29Å; G183-Q186 WeakPolarHBondContact O-CB 3.32Å; G183-Q186 WeakPolarHBondContact O-CG 3.49Å; G183-Q186 PolarHBondContact O-N 2.85Å; D184-Q186 PolarHBondContact O-N 3.34Å; D184-Q186 PolarHBondContact O-NE2 2.94Å; D184-Q186 VanDerWaalsContact O-NE2 3.15Å; Q186-G191 VanDerWaalsContact OE1-C 3.23Å; Q186-G191 PolarHBondContact OE1-O 3.24Å; Q186-A192 HydrophobicContact CB-CB 4.03Å; Q186-H195 HydrophobicContact CG-CB 4.02Å
187	Y	97.1	Very high	97.6	Very high	108 Å²	108	34.8 Å²	34.8	42%	0.424	17%	0.167	S	C	.	.			trans	-118.9	12	-178.8	-68.9	-89.8	0	0	0	113.5	N178 N179 I180 Y181 N185	N178-Y187 CarbonylContact C-O 3.11Å; N179-Y187 WeakPolarHBondContact CA-O 3.02Å; N179-Y187 PolarHBondContact N-O 3.08Å; I180-Y187 CarbonylContact O-C 3.06Å; I180-Y187 WeakPolarHBondContact O-CA 3.17Å; Y181-Y187 HydrophobicContact CD2-CD1 4.04Å; Y181-Y187 HydrophobicContact CD2-CD2 4.37Å; Y181-Y187 AromaticContact CD2-CE1 3.58Å; Y181-Y187 HydrophobicContact CD2-CE1 3.58Å; Y181-Y187 AromaticContact CD2-CE2 3.93Å; Y181-Y187 HydrophobicContact CD2-CE2 3.93Å; Y181-Y187 HydrophobicContact CD2-CG 4.42Å; Y181-Y187 AromaticContact CD2-CZ 3.52Å; Y181-Y187 HydrophobicContact CE2-CE1 4.46Å; Y181-Y187 HydrophobicContact CE2-CE2 4.14Å; Y181-Y187 AromaticContact CE2-CZ 3.95Å; Y181-Y187 AromaticContact CG-CE1 3.99Å; Y181-Y187 HydrophobicContact CG-CE1 3.99Å; N185-Y187 WeakPolarHBondContact O-CD2 3.37Å
188	T	98.3	Very high	97.6	Very high	4 Å²	4	37 Å²	37	3%	0.025	19%	0.189	C	C	.	.	S	Bend	trans	-138.8	143.4	176.9	59.3	0	0	0	0	109.1	K79 S81 N178 E190 G191 A192	K79-T188 HydrophobicContact CB-CG2 4.22Å; K79-T188 HydrophobicContact CD-CG2 3.67Å; S81-T188 WeakPolarHBondContact CB-OG1 3.41Å; S81-T188 WeakPolarHBondContact OG-CB 3.16Å; S81-T188 WeakPolarHBondContact OG-CG2 3.35Å; S81-T188 PolarHBondContact OG-OG1 3.14Å; N178-T188 HydrophobicContact CB-CG2 4.27Å; T188-E190 VanDerWaalsContact C-N 3.34Å; T188-E190 PolarHBondContact O-N 3.39Å; T188-G191 PolarHBondContact O-N 3.05Å; T188-G191 WeakPolarHBondContact OG1-CA 3.43Å; T188-G191 PolarHBondContact OG1-N 3.31Å; T188-G191 VanDerWaalsContact OG1-N 3.11Å; T188-A192 PolarHBondContact O-N 3.35Å
189	L	98.7	Very high	97.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-41.5	179.4	-177.9	58.7	0	0	0	112.6	M88 V92 F96 L177 F182 A192 A193 V201 L219	M88-L189 HydrophobicContact CE-CD2 4.29Å; M88-L189 HydrophobicContact SD-CD2 3.96Å; V92-L189 HydrophobicContact CG1-CD2 3.56Å; F96-L189 HydrophobicContact CD2-CD2 4.46Å; F96-L189 HydrophobicContact CE2-CD1 3.85Å; F96-L189 HydrophobicContact CE2-CD2 3.63Å; F96-L189 HydrophobicContact CE2-CG 4.4Å; F96-L189 HydrophobicContact CZ-CD1 3.52Å; F96-L189 HydrophobicContact CZ-CD2 4.06Å; F96-L189 HydrophobicContact CZ-CG 4.4Å; L177-L189 HydrophobicContact CB-CB 4.22Å; L177-L189 HydrophobicContact CB-CD2 4.37Å; L177-L189 HydrophobicContact CD1-CD2 4.14Å; L177-L189 HydrophobicContact CD2-CD2 4.25Å; L177-L189 HydrophobicContact CG-CD2 4.49Å; L177-L189 WeakPolarHBondContact O-CB 3.38Å; L177-L189 PolarHBondContact O-N 3.07Å; F182-L189 HydrophobicContact CE1-CD1 3.81Å; F182-L189 HydrophobicContact CE2-CB 4.16Å; F182-L189 HydrophobicContact CZ-CB 3.9Å; F182-L189 HydrophobicContact CZ-CD1 3.72Å; F182-L189 HydrophobicContact CZ-CG 4.4Å; L189-A192 PolarHBondContact O-N 3.07Å; L189-A193 WeakPolarHBondContact O-CB 3.25Å; L189-A193 PolarHBondContact O-N 2.81Å; L189-V201 HydrophobicContact CD2-CG1 4.07Å; L189-V201 HydrophobicContact CD2-CG2 4.42Å; L189-V201 HydrophobicContact CG-CG1 3.76Å; L189-V201 HydrophobicContact CG-CG2 4.32Å; L189-L219 HydrophobicContact CD1-CB 4.12Å; L189-L219 HydrophobicContact CD1-CD1 3.6Å; L189-L219 HydrophobicContact CD1-CG 4.48Å
190	E	98.7	Very high	97.6	Very high	23 Å²	23	36.2 Å²	36.2	11%	0.107	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-49.2	174.4	-179.6	70.3	-178.8	0	0	111.1	S81 V83 T188 A192 A193 N194 T200 V201	S81-E190 VanDerWaalsContact O-CB 3.3Å; S81-E190 WeakPolarHBondContact O-CB 3.15Å; V83-E190 HydrophobicContact CG2-CB 3.79Å; V83-E190 HydrophobicContact CG2-CG 3.88Å; T188-E190 VanDerWaalsContact C-N 3.34Å; T188-E190 PolarHBondContact O-N 3.39Å; E190-A192 VanDerWaalsContact C-N 3.29Å; E190-A192 PolarHBondContact O-N 3.28Å; E190-A193 PolarHBondContact O-N 3.03Å; E190-N194 WeakPolarHBondContact O-CB 3.49Å; E190-N194 PolarHBondContact O-N 3.36Å; E190-N194 PolarHBondContact O-OD1 3.35Å; E190-N194 VanDerWaalsContact O-OD1 3.08Å; E190-N194 PolarHBondContact OE1-OD1 2.93Å; E190-T200 VanDerWaalsContact CD-OG1 3.24Å; E190-T200 WeakPolarHBondContact OE1-CB 3.48Å; E190-T200 PolarHBondContact OE1-OG1 2.91Å; E190-T200 PolarHBondContact OE2-OG1 2.87Å; E190-T200 VanDerWaalsContact OE2-OG1 3.05Å; E190-V201 HydrophobicContact CB-CG2 4.18Å; E190-V201 VanDerWaalsContact OE2-CG2 3.28Å; E190-V201 WeakPolarHBondContact OE2-CG2 3.42Å; E190-V201 PolarHBondContact OE2-N 3.16Å
191	G	98.4	Very high	97.8	Very high	8 Å²	8	36.1 Å²	36.1	8%	0.082	19%	0.185	C	C	.	.	H	α-helix	trans	-56.9	-42.3	176.3	0	0	0	0	0	112.8	Q186 T188 H195	Q186-G191 VanDerWaalsContact OE1-C 3.23Å; Q186-G191 PolarHBondContact OE1-O 3.24Å; T188-G191 PolarHBondContact O-N 3.05Å; T188-G191 WeakPolarHBondContact OG1-CA 3.43Å; T188-G191 PolarHBondContact OG1-N 3.31Å; T188-G191 VanDerWaalsContact OG1-N 3.11Å; G191-H195 WeakPolarHBondContact O-CB 3.34Å; G191-H195 PolarHBondContact O-N 2.89Å
192	A	98.5	Very high	97.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-43.5	176	0	0	0	0	0	112.6	F182 Q186 T188 L189 E190 N194 H195 Y196 L219	F182-A192 HydrophobicContact CB-CB 3.59Å; F182-A192 HydrophobicContact CD1-CB 4.13Å; F182-A192 HydrophobicContact CD2-CB 4Å; F182-A192 HydrophobicContact CG-CB 3.66Å; Q186-A192 HydrophobicContact CB-CB 4.03Å; T188-A192 PolarHBondContact O-N 3.35Å; L189-A192 PolarHBondContact O-N 3.07Å; E190-A192 VanDerWaalsContact C-N 3.29Å; E190-A192 PolarHBondContact O-N 3.28Å; A192-N194 VanDerWaalsContact C-N 3.34Å; A192-H195 PolarHBondContact O-N 3.3Å; A192-Y196 HydrophobicContact CB-CD2 4.21Å; A192-Y196 HydrophobicContact CB-CE2 4.38Å; A192-Y196 WeakPolarHBondContact O-CB 3.26Å; A192-Y196 WeakPolarHBondContact O-CD2 3.36Å; A192-Y196 PolarHBondContact O-N 3.42Å; A192-L219 HydrophobicContact CB-CD1 4.32Å; A192-L219 HydrophobicContact CB-CD2 4.1Å
193	A	98.7	Very high	97.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-42.3	177.1	0	0	0	0	0	111.6	L189 E190 F197 G198 T199 V201 I211 L219	L189-A193 WeakPolarHBondContact O-CB 3.25Å; L189-A193 PolarHBondContact O-N 2.81Å; E190-A193 PolarHBondContact O-N 3.03Å; A193-F197 WeakPolarHBondContact O-CB 3.31Å; A193-F197 PolarHBondContact O-N 3.15Å; A193-G198 PolarHBondContact O-N 2.9Å; A193-T199 CarbonylContact C-O 3.58Å; A193-T199 WeakPolarHBondContact CB-O 3.19Å; A193-T199 PolarHBondContact O-N 3.4Å; A193-V201 HydrophobicContact CB-CG1 3.78Å; A193-I211 HydrophobicContact CB-CD1 3.95Å; A193-L219 HydrophobicContact CB-CD1 4.19Å
194	N	98.3	Very high	97.9	Very high	61 Å²	61	43.9 Å²	43.9	33%	0.326	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-46.7	176	-67.4	11.9	0	0	0	110.8	E190 A192 G198 T199	E190-N194 WeakPolarHBondContact O-CB 3.49Å; E190-N194 PolarHBondContact O-N 3.36Å; E190-N194 PolarHBondContact O-OD1 3.35Å; E190-N194 VanDerWaalsContact O-OD1 3.08Å; E190-N194 PolarHBondContact OE1-OD1 2.93Å; A192-N194 VanDerWaalsContact C-N 3.34Å; N194-G198 WeakPolarHBondContact O-CA 3.34Å; N194-G198 PolarHBondContact O-N 2.91Å; N194-T199 PolarHBondContact N-O 2.65Å; N194-T199 PolarHBondContact OD1-O 3.19Å
195	H	98.1	Very high	98	Very high	97 Å²	97	41 Å²	41	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-66.6	-47.2	-177.4	176.9	75.9	0	0	0	113.2	D184 Q186 G191 A192	D184-H195 WeakPolarHBondContact CB-NE2 3.37Å; D184-H195 IonicContact OD2-CD2 3.77Å; D184-H195 IonicContact OD2-NE2 2.75Å; D184-H195 PolarHBondContact OD2-NE2 2.8Å; Q186-H195 HydrophobicContact CG-CB 4.02Å; G191-H195 WeakPolarHBondContact O-CB 3.34Å; G191-H195 PolarHBondContact O-N 2.89Å; A192-H195 PolarHBondContact O-N 3.3Å
196	Y	98	Very high	98	Very high	25 Å²	25	41.5 Å²	41.5	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-85.1	-28.2	-174	-71.1	-62	0	0	0	114	F182 D184 A192 L219 K222 I231	F182-Y196 WeakPolarHBondContact O-CE2 3.46Å; F182-Y196 PolarHBondContact O-OH 3.2Å; D184-Y196 WeakPolarHBondContact OD2-CE1 3.47Å; D184-Y196 PolarHBondContact OD2-OH 3.18Å; A192-Y196 HydrophobicContact CB-CD2 4.21Å; A192-Y196 HydrophobicContact CB-CE2 4.38Å; A192-Y196 WeakPolarHBondContact O-CB 3.26Å; A192-Y196 WeakPolarHBondContact O-CD2 3.36Å; A192-Y196 PolarHBondContact O-N 3.42Å; Y196-L219 HydrophobicContact CD2-CD2 3.78Å; Y196-L219 HydrophobicContact CE2-CD2 4.38Å; Y196-K222 HydrophobicContact CE2-CD 4.44Å; Y196-K222 WeakPolarHBondContact OH-CE 3.41Å; Y196-I231 HydrophobicContact CD1-CB 4.21Å; Y196-I231 HydrophobicContact CD1-CD1 3.7Å; Y196-I231 HydrophobicContact CD1-CG1 4.44Å; Y196-I231 HydrophobicContact CD2-CD1 3.63Å; Y196-I231 HydrophobicContact CE1-CD1 4.01Å; Y196-I231 HydrophobicContact CE2-CD1 3.93Å; Y196-I231 HydrophobicContact CG-CD1 3.51Å
197	F	98	Very high	97.9	Very high	48 Å²	48	45.8 Å²	45.8	21%	0.211	25%	0.25	C	S	.	.	H	α-helix	trans	-133.4	-9.9	-168.5	-52.4	-56	0	0	0	114.7	A193 T199 Q215 I218 L219 I231	A193-F197 WeakPolarHBondContact O-CB 3.31Å; A193-F197 PolarHBondContact O-N 3.15Å; F197-T199 HydrophobicContact CB-CG2 3.95Å; F197-T199 PolarHBondContact O-N 2.65Å; F197-Q215 HydrophobicContact CB-CG 4.45Å; F197-Q215 HydrophobicContact CD1-CG 3.77Å; F197-Q215 HydrophobicContact CD2-CB 3.75Å; F197-Q215 HydrophobicContact CD2-CG 3.79Å; F197-Q215 HydrophobicContact CE1-CB 4.49Å; F197-Q215 HydrophobicContact CE1-CG 3.88Å; F197-Q215 HydrophobicContact CE2-CB 3.64Å; F197-Q215 HydrophobicContact CE2-CG 3.89Å; F197-Q215 HydrophobicContact CG-CB 4.23Å; F197-Q215 HydrophobicContact CG-CG 3.73Å; F197-Q215 HydrophobicContact CZ-CB 4.04Å; F197-Q215 HydrophobicContact CZ-CG 3.93Å; F197-I218 HydrophobicContact CZ-CB 4.32Å; F197-I218 HydrophobicContact CZ-CG2 3.94Å; F197-L219 HydrophobicContact CD2-CD1 4.47Å; F197-L219 HydrophobicContact CE2-CD1 3.99Å; F197-L219 HydrophobicContact CE2-CD2 3.95Å; F197-L219 HydrophobicContact CE2-CG 3.79Å; F197-I231 HydrophobicContact CE1-CG2 3.62Å; F197-I231 HydrophobicContact CZ-CD1 4.18Å; F197-I231 HydrophobicContact CZ-CG2 3.9Å
198	G	98	Very high	97.9	Very high	45 Å²	45	43.9 Å²	43.9	46%	0.464	25%	0.246	S	C	.	.	S	Bend	trans	62.9	30.6	-171.2	0	0	0	0	0	112.7	A193 N194 M208	A193-G198 PolarHBondContact O-N 2.9Å; N194-G198 WeakPolarHBondContact O-CA 3.34Å; N194-G198 PolarHBondContact O-N 2.91Å; G198-M208 WeakPolarHBondContact O-CG 3.38Å
199	T	98.6	Very high	97.8	Very high	10 Å²	10	48 Å²	48	6%	0.061	28%	0.275	C	S	.	.			trans	-121.7	155.1	-178	61.8	0	0	0	0	111.8	A193 N194 F197 S209	A193-T199 CarbonylContact C-O 3.58Å; A193-T199 WeakPolarHBondContact CB-O 3.19Å; A193-T199 PolarHBondContact O-N 3.4Å; N194-T199 PolarHBondContact N-O 2.65Å; N194-T199 PolarHBondContact OD1-O 3.19Å; F197-T199 HydrophobicContact CB-CG2 3.95Å; F197-T199 PolarHBondContact O-N 2.65Å; T199-S209 CarbonylContact C-O 3.08Å; T199-S209 WeakPolarHBondContact CA-O 3.48Å; T199-S209 VanDerWaalsContact CB-O 3.32Å; T199-S209 WeakPolarHBondContact CB-O 3.29Å
200	T	98.6	Very high	97.8	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.018	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-105.5	146.3	177.6	-177.4	0	0	0	0	112	E190 N202 S205 M208 S209 H210 I211	E190-T200 VanDerWaalsContact CD-OG1 3.24Å; E190-T200 WeakPolarHBondContact OE1-CB 3.48Å; E190-T200 PolarHBondContact OE1-OG1 2.91Å; E190-T200 PolarHBondContact OE2-OG1 2.87Å; E190-T200 VanDerWaalsContact OE2-OG1 3.05Å; T200-N202 WeakPolarHBondContact OG1-CB 3.35Å; T200-N202 PolarHBondContact OG1-N 2.91Å; T200-N202 VanDerWaalsContact OG1-N 3.11Å; T200-S205 VanDerWaalsContact CG2-CB 3.45Å; T200-M208 HydrophobicContact CG2-CB 3.96Å; T200-M208 HydrophobicContact CG2-CG 4.16Å; T200-S209 PolarHBondContact N-O 3.38Å; T200-H210 CarbonylContact O-C 3.52Å; T200-H210 WeakPolarHBondContact O-CA 3.37Å; T200-I211 PolarHBondContact O-N 3.35Å
201	V	98.6	Very high	97.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.287	C	S	.	.			trans	-89.4	-7.6	169.5	-51.9	0	0	0	0	112.6	V83 M88 P89 V92 L189 E190 A193 K203 I211	V83-V201 HydrophobicContact CB-CG2 4.16Å; V83-V201 HydrophobicContact CG1-CG2 4.19Å; V83-V201 HydrophobicContact CG2-CG2 4.36Å; M88-V201 WeakPolarHBondContact CA-O 2.94Å; M88-V201 HydrophobicContact CE-CG2 3.86Å; M88-V201 HydrophobicContact CG-CB 4.42Å; M88-V201 HydrophobicContact CG-CG2 4.1Å; M88-V201 HydrophobicContact SD-CG2 4.17Å; P89-V201 VanDerWaalsContact CD-O 3.23Å; P89-V201 WeakPolarHBondContact CD-O 3.49Å; V92-V201 HydrophobicContact CG1-CB 4.32Å; V92-V201 HydrophobicContact CG1-CG1 4.32Å; L189-V201 HydrophobicContact CD2-CG1 4.07Å; L189-V201 HydrophobicContact CD2-CG2 4.42Å; L189-V201 HydrophobicContact CG-CG1 3.76Å; L189-V201 HydrophobicContact CG-CG2 4.32Å; E190-V201 HydrophobicContact CB-CG2 4.18Å; E190-V201 VanDerWaalsContact OE2-CG2 3.28Å; E190-V201 WeakPolarHBondContact OE2-CG2 3.42Å; E190-V201 PolarHBondContact OE2-N 3.16Å; A193-V201 HydrophobicContact CB-CG1 3.78Å; V201-K203 PolarHBondContact O-N 2.68Å; V201-I211 HydrophobicContact CB-CG2 4.34Å; V201-I211 HydrophobicContact CG1-CB 4.31Å; V201-I211 HydrophobicContact CG1-CD1 4.12Å; V201-I211 HydrophobicContact CG1-CG2 3.84Å
202	N	98.3	Very high	97.8	Very high	45 Å²	45	53 Å²	53	24%	0.241	30%	0.3	C	S	.	.			trans	-76.2	111.1	175.7	-173.7	-11.6	0	0	0	110.6	V83 T200 N204 S205 H210	V83-N202 HydrophobicContact CG1-CB 4.17Å; V83-N202 HydrophobicContact CG2-CB 4.35Å; T200-N202 WeakPolarHBondContact OG1-CB 3.35Å; T200-N202 PolarHBondContact OG1-N 2.91Å; T200-N202 VanDerWaalsContact OG1-N 3.11Å; N202-N204 PolarHBondContact O-N 3.29Å; N202-N204 VanDerWaalsContact O-N 3.15Å; N202-N204 WeakPolarHBondContact OD1-CB 3.07Å; N202-N204 PolarHBondContact OD1-N 3.36Å; N202-S205 WeakPolarHBondContact O-CB 3.2Å; N202-S205 PolarHBondContact O-N 3.32Å; N202-S205 VanDerWaalsContact O-N 3.11Å; N202-H210 PolarHBondContact O-CE1 2.67Å; N202-H210 PolarHBondContact O-ND1 3.47Å; N202-H210 VanDerWaalsContact O-ND1 3.17Å
203	K	97.8	Very high	97.8	Very high	94 Å²	94	53.9 Å²	53.9	41%	0.409	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.3	179	78.6	-166.5	-174.2	-170.2	0	113.7	D86 N87 P89 V201 H210	D86-K203 WeakPolarHBondContact O-CE 3.32Å; D86-K203 PolarHBondContact O-NZ 3.02Å; N87-K203 WeakPolarHBondContact O-CG 3.32Å; N87-K203 PolarHBondContact O-N 3.34Å; P89-K203 HydrophobicContact CG-CB 4.05Å; V201-K203 PolarHBondContact O-N 2.68Å; K203-H210 PolarHBondContact O-CE1 3.4Å
204	N	97.3	Very high	97.8	Very high	97 Å²	97	54.7 Å²	54.7	52%	0.519	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	0.9	179.6	-53.8	-42.9	0	0	0	112.7	N87 N202	N87-N204 PolarHBondContact OD1-ND2 2.79Å; N202-N204 PolarHBondContact O-N 3.29Å; N202-N204 VanDerWaalsContact O-N 3.15Å; N202-N204 WeakPolarHBondContact OD1-CB 3.07Å; N202-N204 PolarHBondContact OD1-N 3.36Å
205	S	96.8	Very high	97.9	Very high	24 Å²	24	53.6 Å²	53.6	17%	0.168	30%	0.302	C	S	.	.			trans	-68.2	134	178.4	-173.2	0	0	0	0	111.4	T200 N202 H210	T200-S205 VanDerWaalsContact CG2-CB 3.45Å; N202-S205 WeakPolarHBondContact O-CB 3.2Å; N202-S205 PolarHBondContact O-N 3.32Å; N202-S205 VanDerWaalsContact O-N 3.11Å; S205-H210 PolarHBondContact O-CE1 3.39Å
206	T	96.1	Very high	97.9	Very high	138 Å²	138	49 Å²	49	85%	0.847	28%	0.281	S	S	*	.	S	Bend	trans	-109.9	-7.2	175.9	55.8	0	0	0	0	112.8
207	T	95	Very high	97.9	Very high	131 Å²	131	47.8 Å²	47.8	80%	0.804	28%	0.276	S	S	*	.	S	Bend	trans	-107.2	-10.1	-172.4	58	0	0	0	0	113.5
208	M	96.2	Very high	97.9	Very high	68 Å²	68	46 Å²	46	34%	0.335	27%	0.269	S	S	.	.	S	Bend	trans	-142	142.2	-176.4	-175	176.2	-72.5	0	0	110.3	G198 T200	G198-M208 WeakPolarHBondContact O-CG 3.38Å; T200-M208 HydrophobicContact CG2-CB 3.96Å; T200-M208 HydrophobicContact CG2-CG 4.16Å
209	S	98	Very high	98	Very high	90 Å²	90	43.9 Å²	43.9	63%	0.629	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-60.5	137.2	175.3	-60.6	0	0	0	0	111.2	T199 T200	T199-S209 CarbonylContact C-O 3.08Å; T199-S209 WeakPolarHBondContact CA-O 3.48Å; T199-S209 VanDerWaalsContact CB-O 3.32Å; T199-S209 WeakPolarHBondContact CB-O 3.29Å; T200-S209 PolarHBondContact N-O 3.38Å
210	H	98.2	Very high	97.9	Very high	80 Å²	80	43.4 Å²	43.4	37%	0.37	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-68.8	146.9	176	-55.7	-64.7	0	0	0	111.7	T200 N202 K203 S205	T200-H210 CarbonylContact O-C 3.52Å; T200-H210 WeakPolarHBondContact O-CA 3.37Å; N202-H210 PolarHBondContact O-CE1 2.67Å; N202-H210 PolarHBondContact O-ND1 3.47Å; N202-H210 VanDerWaalsContact O-ND1 3.17Å; K203-H210 PolarHBondContact O-CE1 3.4Å; S205-H210 PolarHBondContact O-CE1 3.39Å
211	I	98.7	Very high	97.9	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-58.2	139.3	173	-167	172.6	0	0	0	110.6	Y91 V92 A193 T200 V201 Q215 L219	Y91-I211 HydrophobicContact CE2-CG2 4.36Å; Y91-I211 WeakPolarHBondContact CE2-O 3.33Å; Y91-I211 PolarHBondContact OH-O 3.31Å; V92-I211 HydrophobicContact CG2-CG2 3.48Å; V92-I211 VanDerWaalsContact CG2-CG2 3.48Å; A193-I211 HydrophobicContact CB-CD1 3.95Å; T200-I211 PolarHBondContact O-N 3.35Å; V201-I211 HydrophobicContact CB-CG2 4.34Å; V201-I211 HydrophobicContact CG1-CB 4.31Å; V201-I211 HydrophobicContact CG1-CD1 4.12Å; V201-I211 HydrophobicContact CG1-CG2 3.84Å; I211-Q215 HydrophobicContact CD1-CB 3.99Å; I211-Q215 HydrophobicContact CG1-CB 3.47Å; I211-Q215 VanDerWaalsContact CG1-CB 3.47Å; I211-L219 HydrophobicContact CD1-CD1 3.67Å
212	T	98.5	Very high	97.8	Very high	56 Å²	56	43.6 Å²	43.6	34%	0.344	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-82.4	167.4	177.9	64.6	0	0	0	0	112.3	L214 Q215 S216	T212-L214 VanDerWaalsContact C-N 3.34Å; T212-L214 PolarHBondContact O-N 3.24Å; T212-Q215 PolarHBondContact O-N 3.17Å; T212-Q215 WeakPolarHBondContact OG1-CB 3.38Å; T212-Q215 VanDerWaalsContact OG1-CD 3.24Å; T212-Q215 VanDerWaalsContact OG1-CG 3.23Å; T212-Q215 WeakPolarHBondContact OG1-CG 3.38Å; T212-Q215 PolarHBondContact OG1-N 3.01Å; T212-Q215 PolarHBondContact OG1-OE1 2.81Å; T212-S216 WeakPolarHBondContact O-CB 3.23Å; T212-S216 PolarHBondContact O-N 2.94Å; T212-S216 PolarHBondContact O-OG 3.01Å
213	V	98.8	Very high	97.6	Very high	18 Å²	18	42.5 Å²	42.5	11%	0.109	24%	0.239	C	C	.	.	H	α-helix	trans	-55.4	-47.9	172	169.2	0	0	0	0	111.5	Y91 S216 A217 L246 M249 I255 Q259 A263	Y91-V213 HydrophobicContact CD1-CG2 4.33Å; Y91-V213 HydrophobicContact CD2-CG2 3.94Å; Y91-V213 HydrophobicContact CE2-CG2 4.48Å; Y91-V213 HydrophobicContact CG-CG2 3.88Å; V213-S216 WeakPolarHBondContact O-CB 3.18Å; V213-S216 PolarHBondContact O-N 2.88Å; V213-A217 PolarHBondContact O-N 3.13Å; V213-L246 HydrophobicContact CG1-CD2 3.72Å; V213-M249 HydrophobicContact CG1-CE 4.18Å; V213-I255 HydrophobicContact CG1-CD1 3.92Å; V213-I255 HydrophobicContact CG1-CG2 3.82Å; V213-I255 HydrophobicContact CG2-CG2 3.89Å; V213-Q259 HydrophobicContact CG2-CB 4.4Å; V213-A263 HydrophobicContact CG1-CB 4.09Å
214	L	98.7	Very high	97.2	Very high	18 Å²	18	42.6 Å²	42.6	9%	0.094	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-48.6	179	174.6	59.4	0	0	0	111.5	T212 S216 A217 I218 V242 L246 A263 Q266 L267	T212-L214 VanDerWaalsContact C-N 3.34Å; T212-L214 PolarHBondContact O-N 3.24Å; L214-S216 VanDerWaalsContact C-N 3.27Å; L214-S216 PolarHBondContact O-N 2.77Å; L214-A217 PolarHBondContact O-N 3.35Å; L214-A217 VanDerWaalsContact O-N 3.13Å; L214-I218 HydrophobicContact CD1-CD1 3.98Å; L214-I218 HydrophobicContact CD1-CG1 4.08Å; L214-I218 HydrophobicContact CD2-CD1 4.43Å; L214-I218 HydrophobicContact CG-CD1 3.81Å; L214-I218 HydrophobicContact CG-CG1 4.34Å; L214-I218 VanDerWaalsContact O-CG1 3.31Å; L214-I218 WeakPolarHBondContact O-CG1 3.32Å; L214-I218 PolarHBondContact O-N 2.98Å; L214-V242 HydrophobicContact CD1-CG1 3.86Å; L214-L246 HydrophobicContact CD1-CD1 4.2Å; L214-A263 HydrophobicContact CB-CB 4.03Å; L214-Q266 HydrophobicContact CD2-CB 3.46Å; L214-Q266 VanDerWaalsContact CD2-CB 3.46Å; L214-L267 HydrophobicContact CD1-CB 3.92Å; L214-L267 HydrophobicContact CD1-CD1 4.12Å; L214-L267 HydrophobicContact CD1-CG 4.43Å; L214-L267 HydrophobicContact CD2-CB 4.41Å
215	Q	98.6	Very high	97.1	Very high	37 Å²	37	39 Å²	39	17%	0.173	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-37.5	179.2	-72.8	165.1	-28.2	0	0	112.1	F197 I211 T212 I218 L219	F197-Q215 HydrophobicContact CB-CG 4.45Å; F197-Q215 HydrophobicContact CD1-CG 3.77Å; F197-Q215 HydrophobicContact CD2-CB 3.75Å; F197-Q215 HydrophobicContact CD2-CG 3.79Å; F197-Q215 HydrophobicContact CE1-CB 4.49Å; F197-Q215 HydrophobicContact CE1-CG 3.88Å; F197-Q215 HydrophobicContact CE2-CB 3.64Å; F197-Q215 HydrophobicContact CE2-CG 3.89Å; F197-Q215 HydrophobicContact CG-CB 4.23Å; F197-Q215 HydrophobicContact CG-CG 3.73Å; F197-Q215 HydrophobicContact CZ-CB 4.04Å; F197-Q215 HydrophobicContact CZ-CG 3.93Å; I211-Q215 HydrophobicContact CD1-CB 3.99Å; I211-Q215 HydrophobicContact CG1-CB 3.47Å; I211-Q215 VanDerWaalsContact CG1-CB 3.47Å; T212-Q215 PolarHBondContact O-N 3.17Å; T212-Q215 WeakPolarHBondContact OG1-CB 3.38Å; T212-Q215 VanDerWaalsContact OG1-CD 3.24Å; T212-Q215 VanDerWaalsContact OG1-CG 3.23Å; T212-Q215 WeakPolarHBondContact OG1-CG 3.38Å; T212-Q215 PolarHBondContact OG1-N 3.01Å; T212-Q215 PolarHBondContact OG1-OE1 2.81Å; Q215-I218 PolarHBondContact O-N 3.16Å; Q215-L219 WeakPolarHBondContact O-CG 3.19Å; Q215-L219 PolarHBondContact O-N 3.21Å
216	S	98.8	Very high	96.9	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-46.8	173.6	-54.6	0	0	0	0	111.3	T212 V213 L214 I218 L219 A220	T212-S216 WeakPolarHBondContact O-CB 3.23Å; T212-S216 PolarHBondContact O-N 2.94Å; T212-S216 PolarHBondContact O-OG 3.01Å; V213-S216 WeakPolarHBondContact O-CB 3.18Å; V213-S216 PolarHBondContact O-N 2.88Å; L214-S216 VanDerWaalsContact C-N 3.27Å; L214-S216 PolarHBondContact O-N 2.77Å; S216-I218 VanDerWaalsContact C-N 3.34Å; S216-I218 PolarHBondContact O-N 2.93Å; S216-L219 PolarHBondContact O-N 3.33Å; S216-A220 WeakPolarHBondContact O-CB 3.46Å; S216-A220 PolarHBondContact O-N 3.34Å
217	A	98.6	Very high	96.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.7	-35.9	176.9	0	0	0	0	0	112.7	V213 L214 S221 V242 N245 L246 M249	V213-A217 PolarHBondContact O-N 3.13Å; L214-A217 PolarHBondContact O-N 3.35Å; L214-A217 VanDerWaalsContact O-N 3.13Å; A217-S221 VanDerWaalsContact O-CB 3.23Å; A217-S221 WeakPolarHBondContact O-CB 3.28Å; A217-S221 PolarHBondContact O-N 3.01Å; A217-S221 PolarHBondContact O-OG 3.48Å; A217-V242 HydrophobicContact CB-CG1 4.06Å; A217-N245 PolarHBondContact O-ND2 3.37Å; A217-L246 HydrophobicContact CB-CD2 3.66Å; A217-L246 HydrophobicContact CB-CG 3.87Å; A217-M249 HydrophobicContact CB-SD 4.02Å
218	I	98.5	Very high	96.7	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.056	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-50.6	173.7	-71.6	170	0	0	0	110.5	F197 L214 Q215 S216 S221 K222 I231 M234 F238 V242	F197-I218 HydrophobicContact CZ-CB 4.32Å; F197-I218 HydrophobicContact CZ-CG2 3.94Å; L214-I218 HydrophobicContact CD1-CD1 3.98Å; L214-I218 HydrophobicContact CD1-CG1 4.08Å; L214-I218 HydrophobicContact CD2-CD1 4.43Å; L214-I218 HydrophobicContact CG-CD1 3.81Å; L214-I218 HydrophobicContact CG-CG1 4.34Å; L214-I218 VanDerWaalsContact O-CG1 3.31Å; L214-I218 WeakPolarHBondContact O-CG1 3.32Å; L214-I218 PolarHBondContact O-N 2.98Å; Q215-I218 PolarHBondContact O-N 3.16Å; S216-I218 VanDerWaalsContact C-N 3.34Å; S216-I218 PolarHBondContact O-N 2.93Å; I218-S221 PolarHBondContact O-N 3.48Å; I218-K222 WeakPolarHBondContact O-CB 3.25Å; I218-K222 PolarHBondContact O-N 3.33Å; I218-I231 HydrophobicContact CG2-CB 4.5Å; I218-I231 HydrophobicContact CG2-CD1 3.83Å; I218-I231 HydrophobicContact CG2-CG1 3.65Å; I218-I231 HydrophobicContact CG2-CG2 4.2Å; I218-M234 HydrophobicContact CD1-SD 4.14Å; I218-M234 HydrophobicContact CG1-CE 4.24Å; I218-M234 HydrophobicContact CG1-SD 4.4Å; I218-F238 HydrophobicContact CG2-CE1 4.29Å; I218-F238 HydrophobicContact CG2-CZ 3.78Å; I218-V242 HydrophobicContact CG1-CG1 3.97Å; I218-V242 HydrophobicContact CG1-CG2 4.05Å
219	L	98.6	Very high	96.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-45.4	179.7	-67.3	177.8	0	0	0	111.9	F96 F182 L189 A192 A193 Y196 F197 I211 Q215 S216 S221 K222 V223 I231	F96-L219 HydrophobicContact CZ-CB 4.26Å; F182-L219 HydrophobicContact CD1-CB 4.32Å; F182-L219 HydrophobicContact CD1-CD2 4.49Å; F182-L219 HydrophobicContact CE1-CB 4.23Å; L189-L219 HydrophobicContact CD1-CB 4.12Å; L189-L219 HydrophobicContact CD1-CD1 3.6Å; L189-L219 HydrophobicContact CD1-CG 4.48Å; A192-L219 HydrophobicContact CB-CD1 4.32Å; A192-L219 HydrophobicContact CB-CD2 4.1Å; A193-L219 HydrophobicContact CB-CD1 4.19Å; Y196-L219 HydrophobicContact CD2-CD2 3.78Å; Y196-L219 HydrophobicContact CE2-CD2 4.38Å; F197-L219 HydrophobicContact CD2-CD1 4.47Å; F197-L219 HydrophobicContact CE2-CD1 3.99Å; F197-L219 HydrophobicContact CE2-CD2 3.95Å; F197-L219 HydrophobicContact CE2-CG 3.79Å; I211-L219 HydrophobicContact CD1-CD1 3.67Å; Q215-L219 WeakPolarHBondContact O-CG 3.19Å; Q215-L219 PolarHBondContact O-N 3.21Å; S216-L219 PolarHBondContact O-N 3.33Å; L219-S221 VanDerWaalsContact C-N 3.31Å; L219-S221 PolarHBondContact O-N 3.16Å; L219-K222 WeakPolarHBondContact O-CB 3.45Å; L219-K222 PolarHBondContact O-N 2.69Å; L219-K222 VanDerWaalsContact O-N 3.15Å; L219-V223 PolarHBondContact O-N 3.27Å; L219-I231 HydrophobicContact CD2-CD1 3.9Å
220	A	98.2	Very high	96.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-39.7	177.2	0	0	0	0	0	112.4	A95 F96 S216 N245	A95-A220 HydrophobicContact CB-CB 3.86Å; A95-A220 WeakPolarHBondContact O-CB 3.32Å; F96-A220 HydrophobicContact CD1-CB 3.82Å; F96-A220 HydrophobicContact CD2-CB 4.09Å; F96-A220 VanDerWaalsContact CE1-CA 3.47Å; F96-A220 HydrophobicContact CE1-CB 3.82Å; F96-A220 HydrophobicContact CE2-CB 4.06Å; F96-A220 HydrophobicContact CG-CB 3.95Å; F96-A220 HydrophobicContact CZ-CB 3.9Å; S216-A220 WeakPolarHBondContact O-CB 3.46Å; S216-A220 PolarHBondContact O-N 3.34Å; A220-N245 WeakPolarHBondContact CB-ND2 3.44Å
221	S	97.3	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.8	-34.1	175.1	-70	0	0	0	0	112.6	A217 I218 L219 V223 R241 V242	A217-S221 VanDerWaalsContact O-CB 3.23Å; A217-S221 WeakPolarHBondContact O-CB 3.28Å; A217-S221 PolarHBondContact O-N 3.01Å; A217-S221 PolarHBondContact O-OG 3.48Å; I218-S221 PolarHBondContact O-N 3.48Å; L219-S221 VanDerWaalsContact C-N 3.31Å; L219-S221 PolarHBondContact O-N 3.16Å; S221-V223 VanDerWaalsContact C-N 3.34Å; S221-V223 PolarHBondContact O-N 3.37Å; S221-R241 WeakPolarHBondContact O-CD 3.47Å; S221-R241 PolarHBondContact O-NE 2.9Å; S221-R241 PolarHBondContact OG-O 2.89Å; S221-V242 WeakPolarHBondContact OG-CA 3.44Å
222	K	96.6	Very high	96.2	Very high	7 Å²	7	37.6 Å²	37.6	3%	0.03	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-34.1	-179	-177.4	170.5	168.1	86.9	0	113.2	F182 Y196 I218 L219 N224 A225 P226 Y229 I231 F238	F182-K222 WeakPolarHBondContact O-CD 3.28Å; F182-K222 WeakPolarHBondContact O-CE 3.23Å; Y196-K222 HydrophobicContact CE2-CD 4.44Å; Y196-K222 WeakPolarHBondContact OH-CE 3.41Å; I218-K222 WeakPolarHBondContact O-CB 3.25Å; I218-K222 PolarHBondContact O-N 3.33Å; L219-K222 WeakPolarHBondContact O-CB 3.45Å; L219-K222 PolarHBondContact O-N 2.69Å; L219-K222 VanDerWaalsContact O-N 3.15Å; K222-N224 PolarHBondContact O-N 3.4Å; K222-A225 CarbonylContact O-C 3.35Å; K222-A225 VanDerWaalsContact O-C 3.27Å; K222-A225 PolarHBondContact O-N 3.01Å; K222-P226 PolarHBondContact NZ-O 3.04Å; K222-P226 WeakPolarHBondContact O-CA 3.47Å; K222-P226 VanDerWaalsContact O-N 3.12Å; K222-Y229 PolarHBondContact NZ-O 3.39Å; K222-I231 HydrophobicContact CD-CD1 3.56Å; K222-I231 HydrophobicContact CD-CG1 3.89Å; K222-F238 HydrophobicContact CB-CE2 4.18Å; K222-F238 HydrophobicContact CB-CZ 3.97Å
223	V	94.3	Very high	96	Very high	22 Å²	22	40.9 Å²	40.9	13%	0.133	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-28.5	-177.4	172.2	0	0	0	0	113.6	F96 I180 F182 L219 S221 P226	F96-V223 HydrophobicContact CE1-CG2 3.95Å; I180-V223 HydrophobicContact CD1-CG1 4.06Å; I180-V223 HydrophobicContact CD1-CG2 3.57Å; I180-V223 HydrophobicContact CG1-CG2 4.22Å; F182-V223 HydrophobicContact CD1-CG2 3.86Å; F182-V223 HydrophobicContact CE1-CG2 3.61Å; F182-V223 HydrophobicContact CZ-CG2 4.35Å; L219-V223 PolarHBondContact O-N 3.27Å; S221-V223 VanDerWaalsContact C-N 3.34Å; S221-V223 PolarHBondContact O-N 3.37Å; V223-P226 WeakPolarHBondContact O-CD 3.37Å
224	N	90.4	Very high	95.9	Very high	96 Å²	96	42.3 Å²	42.3	51%	0.513	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-36.5	179.1	-179.9	-101.5	0	0	0	113.4	K222 Y229 R241	K222-N224 PolarHBondContact O-N 3.4Å; N224-Y229 HydrophobicContact CB-CE2 4.37Å; N224-R241 VanDerWaalsContact CB-CZ 3.49Å
225	A	93.2	Very high	95.7	Very high	22 Å²	22	43.9 Å²	43.9	18%	0.182	25%	0.251	C	S	.	.	S	Bend	trans	-145.5	65.4	-178.8	0	0	0	0	0	110.6	K222 S227 V228 Y229	K222-A225 CarbonylContact O-C 3.35Å; K222-A225 VanDerWaalsContact O-C 3.27Å; K222-A225 PolarHBondContact O-N 3.01Å; A225-S227 PolarHBondContact O-N 3.35Å; A225-S227 VanDerWaalsContact O-N 3.16Å; A225-V228 HydrophobicContact CB-CB 3.91Å; A225-V228 HydrophobicContact CB-CG2 4.22Å; A225-V228 PolarHBondContact O-N 2.84Å; A225-Y229 HydrophobicContact CB-CD2 3.76Å; A225-Y229 HydrophobicContact CB-CE2 3.76Å; A225-Y229 HydrophobicContact CB-CG 4.25Å; A225-Y229 PolarHBondContact O-N 3Å
226	P	94	Very high	95.6	Very high	24 Å²	24	50.3 Å²	50.3	16%	0.156	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.1	-169.3	23.4	-34.1	0	0	0	113.4	Y181 K222 V223	Y181-P226 HydrophobicContact CD1-CB 3.85Å; Y181-P226 HydrophobicContact CD1-CG 3.52Å; Y181-P226 HydrophobicContact CE1-CB 4.13Å; Y181-P226 HydrophobicContact CE1-CG 4.08Å; Y181-P226 HydrophobicContact CG-CG 4.37Å; Y181-P226 WeakPolarHBondContact O-CB 3.36Å; K222-P226 PolarHBondContact NZ-O 3.04Å; K222-P226 WeakPolarHBondContact O-CA 3.47Å; K222-P226 VanDerWaalsContact O-N 3.12Å; V223-P226 WeakPolarHBondContact O-CD 3.37Å
227	S	93	Very high	95.4	Very high	105 Å²	105	56 Å²	56	73%	0.734	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.6	175.5	-54.6	0	0	0	0	114.2	A225	A225-S227 PolarHBondContact O-N 3.35Å; A225-S227 VanDerWaalsContact O-N 3.16Å
228	V	94.3	Very high	95.3	Very high	111 Å²	111	56 Å²	56	67%	0.673	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-45.9	-177.2	180	0	0	0	0	111	A225 N230	A225-V228 HydrophobicContact CB-CB 3.91Å; A225-V228 HydrophobicContact CB-CG2 4.22Å; A225-V228 PolarHBondContact O-N 2.84Å; V228-N230 PolarHBondContact O-N 3.21Å
229	Y	96	Very high	95.2	Very high	30 Å²	30	57.1 Å²	57.1	12%	0.118	32%	0.319	C	S	.	.			trans	-76.3	115.5	-178.7	-66.8	-33.5	0	0	0	110.8	K222 N224 A225 F238	K222-Y229 PolarHBondContact NZ-O 3.39Å; N224-Y229 HydrophobicContact CB-CE2 4.37Å; A225-Y229 HydrophobicContact CB-CD2 3.76Å; A225-Y229 HydrophobicContact CB-CE2 3.76Å; A225-Y229 HydrophobicContact CB-CG 4.25Å; A225-Y229 PolarHBondContact O-N 3Å; Y229-F238 HydrophobicContact CD1-CB 3.51Å; Y229-F238 HydrophobicContact CD1-CD1 4.47Å; Y229-F238 AromaticContact CD1-CD2 3.92Å; Y229-F238 HydrophobicContact CD1-CD2 3.92Å; Y229-F238 AromaticContact CD1-CG 3.72Å; Y229-F238 HydrophobicContact CD1-CG 3.72Å; Y229-F238 AromaticContact CD2-CD2 3.76Å; Y229-F238 HydrophobicContact CD2-CD2 3.76Å; Y229-F238 HydrophobicContact CD2-CE2 4.08Å; Y229-F238 HydrophobicContact CD2-CG 4.37Å; Y229-F238 HydrophobicContact CE1-CB 3.85Å; Y229-F238 HydrophobicContact CE1-CD2 4.37Å; Y229-F238 HydrophobicContact CE1-CG 4.36Å; Y229-F238 HydrophobicContact CE2-CD2 4.22Å; Y229-F238 HydrophobicContact CG-CB 4.05Å; Y229-F238 HydrophobicContact CG-CD1 4.29Å; Y229-F238 AromaticContact CG-CD2 3.57Å; Y229-F238 HydrophobicContact CG-CD2 3.57Å; Y229-F238 HydrophobicContact CG-CE2 4.08Å; Y229-F238 AromaticContact CG-CG 3.71Å; Y229-F238 HydrophobicContact CG-CG 3.71Å
230	N	95.5	Very high	95.1	Very high	78 Å²	78	62.5 Å²	62.5	42%	0.417	34%	0.344	S	S	.	.			trans	-101	123.8	177.7	-171.7	-20.3	0	0	0	109.9	V228 N232 N233 M234	V228-N230 PolarHBondContact O-N 3.21Å; N230-N232 VanDerWaalsContact C-N 3.34Å; N230-N232 WeakPolarHBondContact OD1-CB 3.5Å; N230-N232 PolarHBondContact OD1-N 2.94Å; N230-N233 CarbonylContact O-C 3.2Å; N230-N233 PolarHBondContact O-N 3.45Å; N230-N233 VanDerWaalsContact O-O 3.11Å; N230-M234 WeakPolarHBondContact O-CA 3.48Å; N230-M234 PolarHBondContact O-N 2.94Å
231	I	95.8	Very high	95	Very high	18 Å²	18	64.5 Å²	64.5	9%	0.092	35%	0.351	C	S	.	.	S	Bend	trans	-72.1	-31.4	-179.3	-68.4	173.6	0	0	0	111.3	Y196 F197 I218 L219 K222 N233 F238	Y196-I231 HydrophobicContact CD1-CB 4.21Å; Y196-I231 HydrophobicContact CD1-CD1 3.7Å; Y196-I231 HydrophobicContact CD1-CG1 4.44Å; Y196-I231 HydrophobicContact CD2-CD1 3.63Å; Y196-I231 HydrophobicContact CE1-CD1 4.01Å; Y196-I231 HydrophobicContact CE2-CD1 3.93Å; Y196-I231 HydrophobicContact CG-CD1 3.51Å; F197-I231 HydrophobicContact CE1-CG2 3.62Å; F197-I231 HydrophobicContact CZ-CD1 4.18Å; F197-I231 HydrophobicContact CZ-CG2 3.9Å; I218-I231 HydrophobicContact CG2-CB 4.5Å; I218-I231 HydrophobicContact CG2-CD1 3.83Å; I218-I231 HydrophobicContact CG2-CG1 3.65Å; I218-I231 HydrophobicContact CG2-CG2 4.2Å; L219-I231 HydrophobicContact CD2-CD1 3.9Å; K222-I231 HydrophobicContact CD-CD1 3.56Å; K222-I231 HydrophobicContact CD-CG1 3.89Å; I231-N233 VanDerWaalsContact C-N 3.3Å; I231-F238 HydrophobicContact CG1-CE1 4.07Å; I231-F238 HydrophobicContact CG1-CZ 4.27Å
232	N	93	Very high	95	Very high	137 Å²	137	64.5 Å²	64.5	73%	0.733	35%	0.351	S	S	*	.	S	Bend	trans	-79.9	-15.9	179.6	-60.4	-30.4	0	0	0	112.7	N230	N230-N232 VanDerWaalsContact C-N 3.34Å; N230-N232 WeakPolarHBondContact OD1-CB 3.5Å; N230-N232 PolarHBondContact OD1-N 2.94Å
233	N	94.6	Very high	95	Very high	125 Å²	125	65.2 Å²	65.2	67%	0.668	36%	0.358	S	S	*	.	S	Bend	trans	-146.6	81.2	177.8	-174.5	15.4	0	0	0	109	N230 I231 S235	N230-N233 CarbonylContact O-C 3.2Å; N230-N233 PolarHBondContact O-N 3.45Å; N230-N233 VanDerWaalsContact O-O 3.11Å; I231-N233 VanDerWaalsContact C-N 3.3Å; N233-S235 PolarHBondContact O-N 3.39Å
234	M	95.2	Very high	95.1	Very high	47 Å²	47	66.1 Å²	66.1	23%	0.232	36%	0.363	C	S	.	.			trans	-72.6	115	-174.5	-64.5	-174.4	61.8	0	0	110.6	I218 N230 F238 V242 L267	I218-M234 HydrophobicContact CD1-SD 4.14Å; I218-M234 HydrophobicContact CG1-CE 4.24Å; I218-M234 HydrophobicContact CG1-SD 4.4Å; N230-M234 WeakPolarHBondContact O-CA 3.48Å; N230-M234 PolarHBondContact O-N 2.94Å; M234-F238 HydrophobicContact CB-CD1 4.01Å; M234-F238 HydrophobicContact CE-CD1 3.76Å; M234-F238 HydrophobicContact CE-CE1 3.9Å; M234-F238 HydrophobicContact CE-CG 4.09Å; M234-F238 HydrophobicContact CE-CZ 4.35Å; M234-F238 HydrophobicContact CG-CD1 3.72Å; M234-F238 HydrophobicContact CG-CE1 3.93Å; M234-F238 HydrophobicContact SD-CD1 4.45Å; M234-F238 HydrophobicContact SD-CE1 4.37Å; M234-V242 HydrophobicContact CE-CB 4.31Å; M234-V242 HydrophobicContact CE-CG2 3.76Å; M234-L267 HydrophobicContact CE-CD1 3.67Å; M234-L267 HydrophobicContact SD-CD1 4.15Å
235	S	95.8	Very high	95.5	Very high	52 Å²	52	61.6 Å²	61.6	36%	0.364	34%	0.339	S	S	.	.			trans	-67.2	157.1	171.5	63.2	0	0	0	0	111.1	N233 N237 F238 T239	N233-S235 PolarHBondContact O-N 3.39Å; S235-N237 VanDerWaalsContact C-N 3.26Å; S235-N237 PolarHBondContact O-N 3.43Å; S235-F238 WeakPolarHBondContact O-CA 3.31Å; S235-F238 WeakPolarHBondContact O-CB 3.38Å; S235-F238 PolarHBondContact O-N 3.02Å; S235-F238 PolarHBondContact OG-N 3.43Å; S235-T239 PolarHBondContact O-N 3.46Å; S235-T239 PolarHBondContact O-OG1 3.35Å
236	E	95.6	Very high	95.7	Very high	171 Å²	171	60.5 Å²	60.5	80%	0.799	33%	0.33	S	S	*	.	H	α-helix	trans	-52.3	-43.6	178.2	-173.7	178	-175.2	0	0	112.4	F238 T239 Q240	E236-F238 VanDerWaalsContact C-N 3.31Å; E236-F238 PolarHBondContact O-N 3.15Å; E236-T239 PolarHBondContact O-N 2.93Å; E236-Q240 WeakPolarHBondContact O-CB 3.4Å; E236-Q240 PolarHBondContact O-N 3.28Å
237	N	94.5	Very high	95.9	Very high	120 Å²	120	62 Å²	62	64%	0.642	34%	0.335	S	S	*	.	H	α-helix	trans	-62	-36.3	175.7	-71.5	-25.1	0	0	0	113	S235 R241	S235-N237 VanDerWaalsContact C-N 3.26Å; S235-N237 PolarHBondContact O-N 3.43Å; N237-R241 WeakPolarHBondContact O-CB 3.49Å; N237-R241 PolarHBondContact O-N 3.48Å; N237-R241 VanDerWaalsContact O-N 3.1Å
238	F	96.4	Very high	96.1	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-71.9	-46.3	177.5	-172.7	-154.1	0	0	0	110.9	I218 K222 Y229 I231 M234 S235 E236 Q240 R241 V242	I218-F238 HydrophobicContact CG2-CE1 4.29Å; I218-F238 HydrophobicContact CG2-CZ 3.78Å; K222-F238 HydrophobicContact CB-CE2 4.18Å; K222-F238 HydrophobicContact CB-CZ 3.97Å; Y229-F238 HydrophobicContact CD1-CB 3.51Å; Y229-F238 HydrophobicContact CD1-CD1 4.47Å; Y229-F238 AromaticContact CD1-CD2 3.92Å; Y229-F238 HydrophobicContact CD1-CD2 3.92Å; Y229-F238 AromaticContact CD1-CG 3.72Å; Y229-F238 HydrophobicContact CD1-CG 3.72Å; Y229-F238 AromaticContact CD2-CD2 3.76Å; Y229-F238 HydrophobicContact CD2-CD2 3.76Å; Y229-F238 HydrophobicContact CD2-CE2 4.08Å; Y229-F238 HydrophobicContact CD2-CG 4.37Å; Y229-F238 HydrophobicContact CE1-CB 3.85Å; Y229-F238 HydrophobicContact CE1-CD2 4.37Å; Y229-F238 HydrophobicContact CE1-CG 4.36Å; Y229-F238 HydrophobicContact CE2-CD2 4.22Å; Y229-F238 HydrophobicContact CG-CB 4.05Å; Y229-F238 HydrophobicContact CG-CD1 4.29Å; Y229-F238 AromaticContact CG-CD2 3.57Å; Y229-F238 HydrophobicContact CG-CD2 3.57Å; Y229-F238 HydrophobicContact CG-CE2 4.08Å; Y229-F238 AromaticContact CG-CG 3.71Å; Y229-F238 HydrophobicContact CG-CG 3.71Å; I231-F238 HydrophobicContact CG1-CE1 4.07Å; I231-F238 HydrophobicContact CG1-CZ 4.27Å; M234-F238 HydrophobicContact CB-CD1 4.01Å; M234-F238 HydrophobicContact CE-CD1 3.76Å; M234-F238 HydrophobicContact CE-CE1 3.9Å; M234-F238 HydrophobicContact CE-CG 4.09Å; M234-F238 HydrophobicContact CE-CZ 4.35Å; M234-F238 HydrophobicContact CG-CD1 3.72Å; M234-F238 HydrophobicContact CG-CE1 3.93Å; M234-F238 HydrophobicContact SD-CD1 4.45Å; M234-F238 HydrophobicContact SD-CE1 4.37Å; S235-F238 WeakPolarHBondContact O-CA 3.31Å; S235-F238 WeakPolarHBondContact O-CB 3.38Å; S235-F238 PolarHBondContact O-N 3.02Å; S235-F238 PolarHBondContact OG-N 3.43Å; E236-F238 VanDerWaalsContact C-N 3.31Å; E236-F238 PolarHBondContact O-N 3.15Å; F238-Q240 VanDerWaalsContact C-N 3.33Å; F238-Q240 PolarHBondContact O-N 3.1Å; F238-R241 WeakPolarHBondContact O-CB 3.23Å; F238-R241 PolarHBondContact O-N 3.43Å; F238-R241 VanDerWaalsContact O-N 3.15Å; F238-V242 HydrophobicContact CD2-CG2 4.08Å; F238-V242 HydrophobicContact CE2-CG2 3.84Å; F238-V242 HydrophobicContact CZ-CG2 4.41Å; F238-V242 WeakPolarHBondContact O-CG2 3.48Å; F238-V242 PolarHBondContact O-N 2.94Å
239	T	97.3	Very high	96.3	Very high	34 Å²	34	53.7 Å²	53.7	21%	0.209	28%	0.277	C	S	.	.	H	α-helix	trans	-56.8	-46.1	174.9	-58.9	0	0	0	0	111.4	S235 E236 R241 V242 S243 L267	S235-T239 PolarHBondContact O-N 3.46Å; S235-T239 PolarHBondContact O-OG1 3.35Å; E236-T239 PolarHBondContact O-N 2.93Å; T239-R241 VanDerWaalsContact C-N 3.34Å; T239-R241 PolarHBondContact O-N 3.37Å; T239-V242 PolarHBondContact O-N 3.24Å; T239-S243 PolarHBondContact O-N 3.18Å; T239-L267 HydrophobicContact CG2-CD1 3.97Å; T239-L267 HydrophobicContact CG2-CD2 4.17Å; T239-L267 HydrophobicContact CG2-CG 3.89Å
240	Q	95.8	Very high	96.4	Very high	113 Å²	113	54.4 Å²	54.4	53%	0.528	28%	0.28	S	S	.	.	H	α-helix	trans	-61	-42.9	176.3	-176	57.3	46.8	0	0	111.7	E236 F238 V242 S243 T244	E236-Q240 WeakPolarHBondContact O-CB 3.4Å; E236-Q240 PolarHBondContact O-N 3.28Å; F238-Q240 VanDerWaalsContact C-N 3.33Å; F238-Q240 PolarHBondContact O-N 3.1Å; Q240-V242 VanDerWaalsContact C-N 3.34Å; Q240-V242 PolarHBondContact O-N 2.86Å; Q240-S243 WeakPolarHBondContact O-CB 3.42Å; Q240-S243 PolarHBondContact O-N 3.01Å; Q240-T244 PolarHBondContact O-N 3.47Å; Q240-T244 PolarHBondContact O-OG1 3.3Å
241	R	95.6	Very high	96.5	Very high	42 Å²	42	56.5 Å²	56.5	16%	0.158	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-40.8	176.2	-173.1	179.1	170.7	76.2	8.8	111.9	M99 E100 S221 N224 N237 F238 T239 T244 N245	M99-R241 HydrophobicContact CE-CG 3.75Å; E100-R241 IonicContact OE1-NH2 2.74Å; E100-R241 PolarHBondContact OE1-NH2 3.09Å; E100-R241 VanDerWaalsContact OE1-NH2 3.08Å; S221-R241 WeakPolarHBondContact O-CD 3.47Å; S221-R241 PolarHBondContact O-NE 2.9Å; S221-R241 PolarHBondContact OG-O 2.89Å; N224-R241 VanDerWaalsContact CB-CZ 3.49Å; N237-R241 WeakPolarHBondContact O-CB 3.49Å; N237-R241 PolarHBondContact O-N 3.48Å; N237-R241 VanDerWaalsContact O-N 3.1Å; F238-R241 WeakPolarHBondContact O-CB 3.23Å; F238-R241 PolarHBondContact O-N 3.43Å; F238-R241 VanDerWaalsContact O-N 3.15Å; T239-R241 VanDerWaalsContact C-N 3.34Å; T239-R241 PolarHBondContact O-N 3.37Å; R241-T244 PolarHBondContact O-N 3.21Å; R241-N245 PolarHBondContact O-N 3.32Å
242	V	97.8	Very high	96.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65	-43	175.8	176.6	0	0	0	0	111.3	L214 A217 I218 S221 M234 F238 T239 Q240 N245 L246 L267	L214-V242 HydrophobicContact CD1-CG1 3.86Å; A217-V242 HydrophobicContact CB-CG1 4.06Å; I218-V242 HydrophobicContact CG1-CG1 3.97Å; I218-V242 HydrophobicContact CG1-CG2 4.05Å; S221-V242 WeakPolarHBondContact OG-CA 3.44Å; M234-V242 HydrophobicContact CE-CB 4.31Å; M234-V242 HydrophobicContact CE-CG2 3.76Å; F238-V242 HydrophobicContact CD2-CG2 4.08Å; F238-V242 HydrophobicContact CE2-CG2 3.84Å; F238-V242 HydrophobicContact CZ-CG2 4.41Å; F238-V242 WeakPolarHBondContact O-CG2 3.48Å; F238-V242 PolarHBondContact O-N 2.94Å; T239-V242 PolarHBondContact O-N 3.24Å; Q240-V242 VanDerWaalsContact C-N 3.34Å; Q240-V242 PolarHBondContact O-N 2.86Å; V242-N245 WeakPolarHBondContact O-CB 3.44Å; V242-N245 PolarHBondContact O-N 3.32Å; V242-N245 VanDerWaalsContact O-N 3.16Å; V242-L246 HydrophobicContact CG1-CD1 4.31Å; V242-L246 WeakPolarHBondContact O-CG 3.44Å; V242-L246 PolarHBondContact O-N 2.91Å; V242-L267 HydrophobicContact CB-CD1 4.31Å; V242-L267 HydrophobicContact CB-CD2 4.1Å; V242-L267 HydrophobicContact CG1-CD1 4.04Å; V242-L267 HydrophobicContact CG1-CD2 3.83Å
243	S	97.8	Very high	96.8	Very high	23 Å²	23	58.6 Å²	58.6	16%	0.161	30%	0.297	C	S	.	.	H	α-helix	trans	-57.8	-48.8	173.6	176.2	0	0	0	0	111.7	T239 Q240 N245 L246 E247 M264	T239-S243 PolarHBondContact O-N 3.18Å; Q240-S243 WeakPolarHBondContact O-CB 3.42Å; Q240-S243 PolarHBondContact O-N 3.01Å; S243-N245 VanDerWaalsContact C-N 3.28Å; S243-N245 PolarHBondContact O-N 2.83Å; S243-L246 PolarHBondContact O-N 3.46Å; S243-E247 PolarHBondContact O-N 3.21Å; S243-M264 WeakPolarHBondContact OG-CE 3.3Å
244	T	96.4	Very high	97	Very high	41 Å²	41	54.6 Å²	54.6	25%	0.252	27%	0.273	S	S	.	.	H	α-helix	trans	-58.8	-39.2	174.5	-62.2	0	0	0	0	112.1	Q240 R241 E247 K248	Q240-T244 PolarHBondContact O-N 3.47Å; Q240-T244 PolarHBondContact O-OG1 3.3Å; R241-T244 PolarHBondContact O-N 3.21Å; T244-E247 PolarHBondContact O-N 2.95Å; T244-K248 HydrophobicContact CG2-CD 4.43Å; T244-K248 WeakPolarHBondContact O-CG 3.46Å; T244-K248 PolarHBondContact O-N 3.32Å
245	N	97.6	Very high	97.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-49.4	176.7	-166.5	-4.6	0	0	0	111.3	A95 S98 M99 A217 A220 R241 V242 S243 E247 K248 M249	A95-N245 PolarHBondContact O-ND2 2.99Å; A95-N245 PolarHBondContact O-OD1 2.92Å; S98-N245 PolarHBondContact OG-OD1 2.9Å; M99-N245 HydrophobicContact SD-CB 4.14Å; A217-N245 PolarHBondContact O-ND2 3.37Å; A220-N245 WeakPolarHBondContact CB-ND2 3.44Å; R241-N245 PolarHBondContact O-N 3.32Å; V242-N245 WeakPolarHBondContact O-CB 3.44Å; V242-N245 PolarHBondContact O-N 3.32Å; V242-N245 VanDerWaalsContact O-N 3.16Å; S243-N245 VanDerWaalsContact C-N 3.28Å; S243-N245 PolarHBondContact O-N 2.83Å; N245-E247 VanDerWaalsContact C-N 3.29Å; N245-E247 PolarHBondContact O-N 3.37Å; N245-K248 WeakPolarHBondContact O-CB 3.5Å; N245-K248 PolarHBondContact O-N 3.48Å; N245-K248 VanDerWaalsContact O-N 3.09Å; N245-M249 VanDerWaalsContact O-CG 3.28Å; N245-M249 WeakPolarHBondContact O-CG 3.5Å; N245-M249 PolarHBondContact O-N 2.99Å
246	L	98.6	Very high	97.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.8	-42.3	177	-71.4	170.2	0	0	0	112.3	V213 L214 A217 V242 S243 M249 K250 I255 Y260 A263 M264 L267	V213-L246 HydrophobicContact CG1-CD2 3.72Å; L214-L246 HydrophobicContact CD1-CD1 4.2Å; A217-L246 HydrophobicContact CB-CD2 3.66Å; A217-L246 HydrophobicContact CB-CG 3.87Å; V242-L246 HydrophobicContact CG1-CD1 4.31Å; V242-L246 WeakPolarHBondContact O-CG 3.44Å; V242-L246 PolarHBondContact O-N 2.91Å; S243-L246 PolarHBondContact O-N 3.46Å; L246-M249 HydrophobicContact CD2-SD 4.23Å; L246-M249 PolarHBondContact O-N 3.5Å; L246-K250 PolarHBondContact O-N 2.94Å; L246-I255 HydrophobicContact CD2-CD1 4.28Å; L246-Y260 HydrophobicContact CB-CD2 3.97Å; L246-Y260 HydrophobicContact CB-CE2 3.99Å; L246-A263 HydrophobicContact CD1-CB 3.8Å; L246-A263 HydrophobicContact CD2-CB 3.71Å; L246-A263 HydrophobicContact CG-CB 4.42Å; L246-M264 HydrophobicContact CB-SD 4.39Å; L246-M264 HydrophobicContact CD1-CG 4.34Å; L246-M264 HydrophobicContact CD1-SD 3.71Å; L246-L267 HydrophobicContact CD1-CD2 4.37Å
247	E	98	Very high	97.4	Very high	54 Å²	54	50.9 Å²	50.9	25%	0.252	25%	0.252	S	S	.	.	H	α-helix	trans	-62.4	-44.9	176	-178	59	-146.2	0	0	111.2	S243 T244 N245 M249 K250 Q251 Y260	S243-E247 PolarHBondContact O-N 3.21Å; T244-E247 PolarHBondContact O-N 2.95Å; N245-E247 VanDerWaalsContact C-N 3.29Å; N245-E247 PolarHBondContact O-N 3.37Å; E247-M249 PolarHBondContact O-N 3.23Å; E247-K250 PolarHBondContact O-N 3.09Å; E247-K250 WeakPolarHBondContact OE1-CE 3.4Å; E247-K250 IonicContact OE1-NZ 3.64Å; E247-K250 PolarHBondContact OE1-NZ 3.16Å; E247-K250 WeakPolarHBondContact OE2-CE 3.45Å; E247-K250 IonicContact OE2-NZ 3.58Å; E247-K250 PolarHBondContact OE2-NZ 2.9Å; E247-Q251 WeakPolarHBondContact O-CB 3.45Å; E247-Q251 VanDerWaalsContact O-CG 3.26Å; E247-Q251 WeakPolarHBondContact O-CG 3.32Å; E247-Q251 PolarHBondContact O-N 3.29Å; E247-Q251 PolarHBondContact OE1-NE2 2.91Å; E247-Y260 HydrophobicContact CB-CE2 4.31Å; E247-Y260 VanDerWaalsContact OE2-CZ 3.32Å; E247-Y260 PolarHBondContact OE2-OH 2.94Å
248	K	97.2	Very high	97.6	Very high	42 Å²	42	50.1 Å²	50.1	18%	0.183	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-40.3	174.9	-73.4	179.4	171.8	-168.4	0	112.6	S98 M99 T244 N245 K250 Q251 Q252	S98-K248 WeakPolarHBondContact O-CD 3.46Å; M99-K248 HydrophobicContact SD-CD 3.93Å; T244-K248 HydrophobicContact CG2-CD 4.43Å; T244-K248 WeakPolarHBondContact O-CG 3.46Å; T244-K248 PolarHBondContact O-N 3.32Å; N245-K248 WeakPolarHBondContact O-CB 3.5Å; N245-K248 PolarHBondContact O-N 3.48Å; N245-K248 VanDerWaalsContact O-N 3.09Å; K248-K250 VanDerWaalsContact C-N 3.32Å; K248-K250 PolarHBondContact O-N 3.03Å; K248-Q251 PolarHBondContact O-N 3.16Å; K248-Q252 WeakPolarHBondContact O-CB 3.41Å; K248-Q252 WeakPolarHBondContact O-CG 3.42Å; K248-Q252 PolarHBondContact O-N 2.83Å
249	M	98.4	Very high	97.7	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-43.5	176.5	-69.4	171.3	68.9	0	0	111	Y91 A95 S98 V213 A217 N245 L246 E247 N253 Y254 I255	Y91-M249 VanDerWaalsContact O-CE 3.23Å; Y91-M249 WeakPolarHBondContact O-CE 3.46Å; A95-M249 HydrophobicContact CB-CE 3.84Å; A95-M249 HydrophobicContact CB-SD 3.72Å; S98-M249 WeakPolarHBondContact OG-CG 3.26Å; V213-M249 HydrophobicContact CG1-CE 4.18Å; A217-M249 HydrophobicContact CB-SD 4.02Å; N245-M249 VanDerWaalsContact O-CG 3.28Å; N245-M249 WeakPolarHBondContact O-CG 3.5Å; N245-M249 PolarHBondContact O-N 2.99Å; L246-M249 HydrophobicContact CD2-SD 4.23Å; L246-M249 PolarHBondContact O-N 3.5Å; E247-M249 PolarHBondContact O-N 3.23Å; M249-N253 PolarHBondContact O-N 3.34Å; M249-Y254 PolarHBondContact O-N 2.98Å; M249-I255 HydrophobicContact CB-CD1 3.87Å; M249-I255 HydrophobicContact CB-CG1 3.89Å; M249-I255 HydrophobicContact CE-CG2 3.85Å
250	K	98.4	Very high	97.8	Very high	45 Å²	45	52.6 Å²	52.6	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-50.2	175.3	-178.6	-168.4	67.4	-166.1	0	111.5	L246 E247 K248 Q252 N253 I255 E257 Y260	L246-K250 PolarHBondContact O-N 2.94Å; E247-K250 PolarHBondContact O-N 3.09Å; E247-K250 WeakPolarHBondContact OE1-CE 3.4Å; E247-K250 IonicContact OE1-NZ 3.64Å; E247-K250 PolarHBondContact OE1-NZ 3.16Å; E247-K250 WeakPolarHBondContact OE2-CE 3.45Å; E247-K250 IonicContact OE2-NZ 3.58Å; E247-K250 PolarHBondContact OE2-NZ 2.9Å; K248-K250 VanDerWaalsContact C-N 3.32Å; K248-K250 PolarHBondContact O-N 3.03Å; K250-Q252 PolarHBondContact O-N 3.33Å; K250-N253 PolarHBondContact O-N 2.92Å; K250-I255 HydrophobicContact CB-CD1 4.43Å; K250-I255 HydrophobicContact CB-CG1 4.07Å; K250-E257 VanDerWaalsContact CD-OE2 3.23Å; K250-E257 WeakPolarHBondContact CD-OE2 3.23Å; K250-Y260 HydrophobicContact CB-CD2 4.26Å; K250-Y260 HydrophobicContact CB-CG 4.38Å; K250-Y260 HydrophobicContact CD-CD1 3.94Å; K250-Y260 HydrophobicContact CD-CD2 4.34Å; K250-Y260 HydrophobicContact CD-CG 3.85Å
251	Q	97.6	Very high	97.9	Very high	123 Å²	123	51.9 Å²	51.9	58%	0.575	26%	0.257	S	S	*	.	H	α-helix	trans	-58.2	-31.3	179.8	-72.6	172.8	3	0	0	112.9	E247 K248	E247-Q251 WeakPolarHBondContact O-CB 3.45Å; E247-Q251 VanDerWaalsContact O-CG 3.26Å; E247-Q251 WeakPolarHBondContact O-CG 3.32Å; E247-Q251 PolarHBondContact O-N 3.29Å; E247-Q251 PolarHBondContact OE1-NE2 2.91Å; K248-Q251 PolarHBondContact O-N 3.16Å
252	Q	97.5	Very high	98.1	Very high	52 Å²	52	55.3 Å²	55.3	24%	0.243	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	8.6	178.1	-63.7	178.5	42.9	0	0	113.4	S98 K248 K250 Y254	S98-Q252 PolarHBondContact O-NE2 3.26Å; K248-Q252 WeakPolarHBondContact O-CB 3.41Å; K248-Q252 WeakPolarHBondContact O-CG 3.42Å; K248-Q252 PolarHBondContact O-N 2.83Å; K250-Q252 PolarHBondContact O-N 3.33Å; Q252-Y254 VanDerWaalsContact C-N 3.28Å; Q252-Y254 HydrophobicContact CB-CD2 3.76Å; Q252-Y254 HydrophobicContact CB-CE2 3.85Å; Q252-Y254 PolarHBondContact O-N 3.31Å
253	N	97.9	Very high	98.1	Very high	146 Å²	146	55.4 Å²	55.4	78%	0.781	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	25.2	177.5	-51.6	-69.9	0	0	0	115.4	M249 K250 I255	M249-N253 PolarHBondContact O-N 3.34Å; K250-N253 PolarHBondContact O-N 2.92Å; N253-I255 VanDerWaalsContact C-N 3.32Å
254	Y	98.5	Very high	98.1	Very high	42 Å²	42	55.4 Å²	55.4	17%	0.165	27%	0.273	C	S	.	.	S	Bend	trans	-77.1	-22.6	170.3	-72.2	-69.5	0	0	0	112.6	I97 M249 Q252	I97-Y254 HydrophobicContact CG2-CE2 4.39Å; I97-Y254 VanDerWaalsContact CG2-OH 3.29Å; I97-Y254 WeakPolarHBondContact CG2-OH 3.23Å; M249-Y254 PolarHBondContact O-N 2.98Å; Q252-Y254 VanDerWaalsContact C-N 3.28Å; Q252-Y254 HydrophobicContact CB-CD2 3.76Å; Q252-Y254 HydrophobicContact CB-CE2 3.85Å; Q252-Y254 PolarHBondContact O-N 3.31Å
255	I	98.6	Very high	98.2	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.036	28%	0.282	C	S	.	.	S	Bend	trans	-138.2	151.9	174.3	61.6	177.1	0	0	0	110	V213 L246 M249 K250 N253 Q259 Y260	V213-I255 HydrophobicContact CG1-CD1 3.92Å; V213-I255 HydrophobicContact CG1-CG2 3.82Å; V213-I255 HydrophobicContact CG2-CG2 3.89Å; L246-I255 HydrophobicContact CD2-CD1 4.28Å; M249-I255 HydrophobicContact CB-CD1 3.87Å; M249-I255 HydrophobicContact CB-CG1 3.89Å; M249-I255 HydrophobicContact CE-CG2 3.85Å; K250-I255 HydrophobicContact CB-CD1 4.43Å; K250-I255 HydrophobicContact CB-CG1 4.07Å; N253-I255 VanDerWaalsContact C-N 3.32Å; I255-Q259 VanDerWaalsContact CA-OE1 3.31Å; I255-Q259 HydrophobicContact CB-CB 3.98Å; I255-Q259 HydrophobicContact CG2-CB 4.46Å; I255-Y260 HydrophobicContact CD1-CD2 4.48Å
256	N	98.4	Very high	98.1	Very high	87 Å²	87	59.9 Å²	59.9	47%	0.465	30%	0.298	S	S	.	.			trans	-87.7	172.1	173.6	67.1	38.9	0	0	0	112.1	T258 Q259 Y260	N256-T258 VanDerWaalsContact C-N 3.3Å; N256-T258 PolarHBondContact O-N 2.87Å; N256-T258 WeakPolarHBondContact OD1-CB 3.41Å; N256-T258 PolarHBondContact OD1-N 3.24Å; N256-T258 VanDerWaalsContact OD1-N 3.12Å; N256-Q259 PolarHBondContact O-N 2.98Å; N256-Q259 WeakPolarHBondContact OD1-CG 3.48Å; N256-Q259 PolarHBondContact OD1-N 3.4Å; N256-Y260 PolarHBondContact O-N 3.18Å
257	E	98.3	Very high	98	Very high	97 Å²	97	60.6 Å²	60.6	45%	0.453	30%	0.302	S	S	.	.	H	α-helix	trans	-57.2	-40.9	-179.3	-175.1	59.8	-154.3	0	0	112.5	K250 Q259 Y260 Q261	K250-E257 VanDerWaalsContact CD-OE2 3.23Å; K250-E257 WeakPolarHBondContact CD-OE2 3.23Å; E257-Q259 PolarHBondContact O-N 2.9Å; E257-Y260 PolarHBondContact O-N 2.74Å; E257-Q261 HydrophobicContact CG-CG 4.4Å; E257-Q261 VanDerWaalsContact O-CG 3.3Å; E257-Q261 WeakPolarHBondContact O-CG 3.34Å; E257-Q261 PolarHBondContact O-N 3.5Å; E257-Q261 WeakPolarHBondContact OE1-CG 3.37Å; E257-Q261 PolarHBondContact OE1-NE2 3.12Å
258	T	98.4	Very high	97.6	Very high	105 Å²	105	63.6 Å²	63.6	64%	0.644	32%	0.32	S	S	*	.	H	α-helix	trans	-62.7	-45.5	178.8	-54.6	0	0	0	0	111.9	N256 Q261 Q262	N256-T258 VanDerWaalsContact C-N 3.3Å; N256-T258 PolarHBondContact O-N 2.87Å; N256-T258 WeakPolarHBondContact OD1-CB 3.41Å; N256-T258 PolarHBondContact OD1-N 3.24Å; N256-T258 VanDerWaalsContact OD1-N 3.12Å; T258-Q261 PolarHBondContact O-N 3.33Å; T258-Q262 WeakPolarHBondContact O-CB 3.37Å; T258-Q262 PolarHBondContact O-N 3.23Å
259	Q	98.6	Very high	96.8	Very high	59 Å²	59	73.7 Å²	73.7	28%	0.276	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-41.7	176.5	-73.2	172.9	-50.4	0	0	111.7	V213 I255 N256 E257 A263	V213-Q259 HydrophobicContact CG2-CB 4.4Å; I255-Q259 VanDerWaalsContact CA-OE1 3.31Å; I255-Q259 HydrophobicContact CB-CB 3.98Å; I255-Q259 HydrophobicContact CG2-CB 4.46Å; N256-Q259 PolarHBondContact O-N 2.98Å; N256-Q259 WeakPolarHBondContact OD1-CG 3.48Å; N256-Q259 PolarHBondContact OD1-N 3.4Å; E257-Q259 PolarHBondContact O-N 2.9Å; Q259-A263 WeakPolarHBondContact O-CB 3.36Å; Q259-A263 PolarHBondContact O-N 3.22Å
260	Y	98.7	Very high	96.8	Very high	27 Å²	27	77.4 Å²	77.4	11%	0.106	37%	0.374	C	S	.	.	H	α-helix	trans	-60	-52.1	175.8	171.1	-103.1	0	0	0	111.5	L246 E247 K250 I255 N256 E257 Q262 A263 M264	L246-Y260 HydrophobicContact CB-CD2 3.97Å; L246-Y260 HydrophobicContact CB-CE2 3.99Å; E247-Y260 HydrophobicContact CB-CE2 4.31Å; E247-Y260 VanDerWaalsContact OE2-CZ 3.32Å; E247-Y260 PolarHBondContact OE2-OH 2.94Å; K250-Y260 HydrophobicContact CB-CD2 4.26Å; K250-Y260 HydrophobicContact CB-CG 4.38Å; K250-Y260 HydrophobicContact CD-CD1 3.94Å; K250-Y260 HydrophobicContact CD-CD2 4.34Å; K250-Y260 HydrophobicContact CD-CG 3.85Å; I255-Y260 HydrophobicContact CD1-CD2 4.48Å; N256-Y260 PolarHBondContact O-N 3.18Å; E257-Y260 PolarHBondContact O-N 2.74Å; Y260-Q262 VanDerWaalsContact C-N 3.33Å; Y260-Q262 PolarHBondContact O-N 3.21Å; Y260-A263 PolarHBondContact O-N 3.2Å; Y260-M264 HydrophobicContact CD2-CG 4.12Å; Y260-M264 HydrophobicContact CE1-CG 4.09Å; Y260-M264 HydrophobicContact CE2-CG 3.64Å; Y260-M264 HydrophobicContact CE2-SD 4.13Å; Y260-M264 WeakPolarHBondContact O-CB 3.33Å; Y260-M264 WeakPolarHBondContact O-CG 3.42Å; Y260-M264 PolarHBondContact O-N 3.36Å
261	Q	98.3	Very high	96.7	Very high	98 Å²	98	79.1 Å²	79.1	46%	0.458	38%	0.384	S	S	.	.	H	α-helix	trans	-62.8	-39.8	-179.6	-67.6	-61.3	-22	0	0	112.3	E257 T258 M264 S265	E257-Q261 HydrophobicContact CG-CG 4.4Å; E257-Q261 VanDerWaalsContact O-CG 3.3Å; E257-Q261 WeakPolarHBondContact O-CG 3.34Å; E257-Q261 PolarHBondContact O-N 3.5Å; E257-Q261 WeakPolarHBondContact OE1-CG 3.37Å; E257-Q261 PolarHBondContact OE1-NE2 3.12Å; T258-Q261 PolarHBondContact O-N 3.33Å; Q261-M264 PolarHBondContact O-N 3.45Å; Q261-S265 WeakPolarHBondContact O-CB 3.36Å; Q261-S265 PolarHBondContact O-N 3.29Å
262	Q	98.4	Very high	96.6	Very high	113 Å²	113	76.6 Å²	76.6	53%	0.528	37%	0.373	S	S	.	.	H	α-helix	trans	-62.2	-47.3	175.1	-177.9	178.7	-13.3	0	0	111.6	T258 Y260 S265 Q266	T258-Q262 WeakPolarHBondContact O-CB 3.37Å; T258-Q262 PolarHBondContact O-N 3.23Å; Y260-Q262 VanDerWaalsContact C-N 3.33Å; Y260-Q262 PolarHBondContact O-N 3.21Å; Q262-S265 PolarHBondContact O-N 3.06Å; Q262-Q266 WeakPolarHBondContact O-CG 3.42Å; Q262-Q266 PolarHBondContact O-N 3.47Å
263	A	98.5	Very high	96.6	Very high	2 Å²	2	78.1 Å²	78.1	2%	0.017	38%	0.381	C	S	.	.	H	α-helix	trans	-64.2	-41.6	179.2	0	0	0	0	0	112	V213 L214 L246 Q259 Y260 Q266 L267	V213-A263 HydrophobicContact CG1-CB 4.09Å; L214-A263 HydrophobicContact CB-CB 4.03Å; L246-A263 HydrophobicContact CD1-CB 3.8Å; L246-A263 HydrophobicContact CD2-CB 3.71Å; L246-A263 HydrophobicContact CG-CB 4.42Å; Q259-A263 WeakPolarHBondContact O-CB 3.36Å; Q259-A263 PolarHBondContact O-N 3.22Å; Y260-A263 PolarHBondContact O-N 3.2Å; A263-Q266 PolarHBondContact O-N 2.92Å; A263-L267 WeakPolarHBondContact O-CB 3.36Å; A263-L267 PolarHBondContact O-N 2.91Å
264	M	98.1	Very high	96.5	Very high	23 Å²	23	73.8 Å²	73.8	11%	0.113	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-40.1	175.9	-73.5	-58	-64.1	0	0	112.5	S243 L246 Y260 Q261 Q266 L267 N268	S243-M264 WeakPolarHBondContact OG-CE 3.3Å; L246-M264 HydrophobicContact CB-SD 4.39Å; L246-M264 HydrophobicContact CD1-CG 4.34Å; L246-M264 HydrophobicContact CD1-SD 3.71Å; Y260-M264 HydrophobicContact CD2-CG 4.12Å; Y260-M264 HydrophobicContact CE1-CG 4.09Å; Y260-M264 HydrophobicContact CE2-CG 3.64Å; Y260-M264 HydrophobicContact CE2-SD 4.13Å; Y260-M264 WeakPolarHBondContact O-CB 3.33Å; Y260-M264 WeakPolarHBondContact O-CG 3.42Å; Y260-M264 PolarHBondContact O-N 3.36Å; Q261-M264 PolarHBondContact O-N 3.45Å; M264-Q266 VanDerWaalsContact C-N 3.3Å; M264-Q266 PolarHBondContact O-N 2.72Å; M264-L267 PolarHBondContact O-N 3.49Å; M264-L267 HydrophobicContact SD-CD2 4.34Å; M264-N268 PolarHBondContact O-N 3.36Å; M264-N268 PolarHBondContact O-ND2 2.99Å
265	S	97.6	Very high	96.4	Very high	61 Å²	61	75.9 Å²	75.9	43%	0.427	37%	0.369	S	S	.	.	H	α-helix	trans	-63.8	-36.2	175.1	-178.1	0	0	0	0	112.2	Q261 Q262 R269	Q261-S265 WeakPolarHBondContact O-CB 3.36Å; Q261-S265 PolarHBondContact O-N 3.29Å; Q262-S265 PolarHBondContact O-N 3.06Å; S265-R269 WeakPolarHBondContact O-CG 3.4Å
266	Q	96.9	Very high	96.2	Very high	74 Å²	74	80.9 Å²	80.9	35%	0.346	39%	0.393	S	S	.	.	H	α-helix	trans	-73.1	-36.7	176.5	-72.3	172	-22.5	0	0	112.5	L214 Q262 A263 M264 N268	L214-Q266 HydrophobicContact CD2-CB 3.46Å; L214-Q266 VanDerWaalsContact CD2-CB 3.46Å; Q262-Q266 WeakPolarHBondContact O-CG 3.42Å; Q262-Q266 PolarHBondContact O-N 3.47Å; A263-Q266 PolarHBondContact O-N 2.92Å; M264-Q266 VanDerWaalsContact C-N 3.3Å; M264-Q266 PolarHBondContact O-N 2.72Å; Q266-N268 VanDerWaalsContact C-N 3.35Å
267	L	96.1	Very high	96	Very high	16 Å²	16	80.4 Å²	80.4	8%	0.084	39%	0.387	C	S	.	.	H	α-helix	trans	-67.8	-32.4	-179.9	-179.7	62	0	0	0	113.1	L214 M234 T239 V242 L246 A263 M264 R269	L214-L267 HydrophobicContact CD1-CB 3.92Å; L214-L267 HydrophobicContact CD1-CD1 4.12Å; L214-L267 HydrophobicContact CD1-CG 4.43Å; L214-L267 HydrophobicContact CD2-CB 4.41Å; M234-L267 HydrophobicContact CE-CD1 3.67Å; M234-L267 HydrophobicContact SD-CD1 4.15Å; T239-L267 HydrophobicContact CG2-CD1 3.97Å; T239-L267 HydrophobicContact CG2-CD2 4.17Å; T239-L267 HydrophobicContact CG2-CG 3.89Å; V242-L267 HydrophobicContact CB-CD1 4.31Å; V242-L267 HydrophobicContact CB-CD2 4.1Å; V242-L267 HydrophobicContact CG1-CD1 4.04Å; V242-L267 HydrophobicContact CG1-CD2 3.83Å; L246-L267 HydrophobicContact CD1-CD2 4.37Å; A263-L267 WeakPolarHBondContact O-CB 3.36Å; A263-L267 PolarHBondContact O-N 2.91Å; M264-L267 PolarHBondContact O-N 3.49Å; M264-L267 HydrophobicContact SD-CD2 4.34Å; L267-R269 VanDerWaalsContact C-N 3.34Å
268	N	89.6	Confident	95.8	Very high	116 Å²	116	79 Å²	79	62%	0.62	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	9.6	-176.4	-66.7	-30.2	0	0	0	114.2	M264 Q266	M264-N268 PolarHBondContact O-N 3.36Å; M264-N268 PolarHBondContact O-ND2 2.99Å; Q266-N268 VanDerWaalsContact C-N 3.35Å
269	R	81.1	Confident	95.6	Very high	254 Å²	254	76.6 Å²	76.6	96%	0.958	36%	0.357	S	S	*	.			trans	-93.3	0	174.8	-74.3	175.3	-171.4	-167.3	0.9	110.6	S265 L267	S265-R269 WeakPolarHBondContact O-CG 3.4Å; L267-R269 VanDerWaalsContact C-N 3.34Å

Retrieved 269 of 269 residues in 783.4 ms (Link to these results)

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