A0A077YWE4_TRITR Loading...

Aurora kinase

AlphaFold DB , UniProt , Accession A0A077YWE4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 352 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	26.9	Very low	224 Å²	224	153.6 Å²	153.6	100%	1.103	83%	0.831	S	S	*	*				0	116.7	0	-132.1	179.9	-130.9	0	0	106.7
2	F	27.8	Very low	27	Very low	188 Å²	188	155.4 Å²	155.4	83%	0.825	83%	0.825	S	S	*	*			trans	52	102.8	172.7	-60.2	-80.5	0	0	0	117.5
3	L	24.6	Very low	27.2	Very low	175 Å²	175	152.8 Å²	152.8	92%	0.916	82%	0.818	S	S	*	*				50.8	115.8	73.1	-78.5	160.6	0	0	0	113.9
4	G	27.3	Very low	27.2	Very low	74 Å²	74	151.2 Å²	151.2	76%	0.763	80%	0.803	S	S	*	*			trans	-173.6	109.6	175	0	0	0	0	0	111.5
5	D	28.9	Very low	27.4	Very low	159 Å²	159	151 Å²	151	85%	0.85	80%	0.802	S	S	*	*			trans	-57.3	160.3	-164.6	-66.2	-69	0	0	0	120.8
6	V	22.4	Very low	27.6	Very low	117 Å²	117	151.8 Å²	151.8	71%	0.709	80%	0.796	S	S	*	*			trans	-39.7	139.1	168.6	179	0	0	0	0	115.3	I8	V6-I8 HydrophobicContact CG1-CG1 4.3Å
7	K	25	Very low	27.7	Very low	211 Å²	211	148.9 Å²	148.9	92%	0.917	79%	0.79	S	S	*	*			trans	-151.1	116.9	137.8	-109.9	173.4	-171.8	178.1	0	111.8
8	I	25.2	Very low	28.1	Very low	143 Å²	143	152.5 Å²	152.5	73%	0.733	80%	0.798	S	S	*	*			trans	-77.1	116.5	170.9	-61.9	164.7	0	0	0	107	V6	V6-I8 HydrophobicContact CG1-CG1 4.3Å
9	D	26.1	Very low	28.7	Very low	131 Å²	131	153.5 Å²	153.5	70%	0.701	80%	0.798	S	S	*	*			trans	176.6	146	142.8	-95	-27.4	0	0	0	111.3
10	N	28.3	Very low	29.2	Very low	132 Å²	132	152.5 Å²	152.5	71%	0.706	79%	0.794	S	S	*	*			trans	85.4	87	173.3	-56.4	-35.6	0	0	0	117.7	K12	N10-K12 VanDerWaalsContact C-N 3.28Å; N10-K12 PolarHBondContact O-N 2.78Å
11	C	28.3	Very low	29.5	Very low	136 Å²	136	153.9 Å²	153.9	92%	0.919	80%	0.802	S	S	*	*			trans	-65.3	86.8	155.5	-80.6	0	0	0	0	110.4
12	K	28	Very low	29.5	Very low	175 Å²	175	150.7 Å²	150.7	76%	0.761	78%	0.784	S	S	*	*			trans	-86.9	114.2	149.5	-86.7	-179.9	175.5	174.7	0	107.2	N10 E14	N10-K12 VanDerWaalsContact C-N 3.28Å; N10-K12 PolarHBondContact O-N 2.78Å; K12-E14 PolarHBondContact O-N 2.9Å
13	V	29.6	Very low	29.6	Very low	121 Å²	121	148.1 Å²	148.1	73%	0.733	78%	0.779	S	S	*	*			trans	-89.7	98.3	165.4	-177.7	0	0	0	0	107	L15	V13-L15 HydrophobicContact CG1-CG 4.29Å
14	E	27.5	Very low	29.8	Very low	131 Å²	131	146.5 Å²	146.5	61%	0.612	77%	0.77	S	S	*	*			trans	-77.4	113.4	164.3	-78.7	-175.1	166.2	0	0	108.7	K12	K12-E14 PolarHBondContact O-N 2.9Å
15	L	29.4	Very low	29.8	Very low	148 Å²	148	151.6 Å²	151.6	78%	0.775	77%	0.771	S	S	*	*			trans	-91.4	105.5	165.9	-73.4	168	0	0	0	108.2	V13 C17	V13-L15 HydrophobicContact CG1-CG 4.29Å; L15-C17 PolarHBondContact O-N 3.22Å
16	K	31.1	Very low	29.8	Very low	164 Å²	164	149.6 Å²	149.6	71%	0.713	76%	0.764	S	S	*	*			trans	-78.9	112.6	169.5	-75.7	-177	177.1	178.1	0	109.6
17	C	29.1	Very low	30	Very low	102 Å²	102	148.4 Å²	148.4	69%	0.689	77%	0.767	S	S	*	*			trans	-77.5	127	166.8	-175.8	0	0	0	0	109.4	L15 Q19	L15-C17 PolarHBondContact O-N 3.22Å; C17-Q19 VanDerWaalsContact C-N 3.25Å; C17-Q19 PolarHBondContact O-N 3.23Å
18	K	35.4	Very low	30.2	Very low	214 Å²	214	143.3 Å²	143.3	93%	0.93	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	19.6	-179	-93.9	-170.4	176.1	-176.4	0	114.5
19	Q	40.1	Very low	30.4	Very low	172 Å²	172	142.6 Å²	142.6	80%	0.804	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.3	1.3	-175.5	-94.4	-177.5	-16.8	0	0	117.4	C17	C17-Q19 VanDerWaalsContact C-N 3.25Å; C17-Q19 PolarHBondContact O-N 3.23Å
20	N	37.1	Very low	30.3	Very low	133 Å²	133	143.4 Å²	143.4	71%	0.711	76%	0.764	S	S	*	*	S	Bend	trans	-156.4	132.8	161.1	-88.5	-30.2	0	0	0	107.1	E22	N20-E22 PolarHBondContact O-N 3.1Å
21	N	35.4	Very low	30.3	Very low	181 Å²	181	141.7 Å²	141.7	97%	0.968	76%	0.762	S	S	*	*			trans	-75.3	45.7	-170	-146.2	13.7	0	0	0	112.4
22	E	33.5	Very low	30.2	Very low	157 Å²	157	145.6 Å²	145.6	73%	0.734	76%	0.757	S	S	*	*			trans	-118.5	115.1	-178.9	-69.6	-169.7	161.3	0	0	110.7	N20 I24	N20-E22 PolarHBondContact O-N 3.1Å; E22-I24 PolarHBondContact O-N 3.29Å; E22-I24 VanDerWaalsContact O-N 3.1Å
23	N	30.4	Very low	30.3	Very low	135 Å²	135	140.7 Å²	140.7	72%	0.722	75%	0.745	S	S	*	*			trans	-73.8	94.8	173.7	-76.5	-38.9	0	0	0	109.7	K25	N23-K25 PolarHBondContact O-N 3.34Å
24	I	28.4	Very low	30.8	Very low	140 Å²	140	139.4 Å²	139.4	72%	0.718	73%	0.731	S	S	*	*			trans	-80	101.5	170.1	-55.8	179.1	0	0	0	108.9	E22 V26	E22-I24 PolarHBondContact O-N 3.29Å; E22-I24 VanDerWaalsContact O-N 3.1Å; I24-V26 HydrophobicContact CG2-CG2 3.93Å; I24-V26 PolarHBondContact O-N 3.34Å
25	K	27.6	Very low	31.5	Very low	181 Å²	181	136.5 Å²	136.5	79%	0.787	72%	0.719	S	S	*	*			trans	-74.5	100.3	168.6	-74.1	179.1	179.1	172.5	0	109.3	N23	N23-K25 PolarHBondContact O-N 3.34Å
26	V	28.5	Very low	32.2	Very low	117 Å²	117	137.7 Å²	137.7	71%	0.709	72%	0.718	S	S	*	*			trans	-89.8	105.2	165.5	-175	0	0	0	0	108.4	I24 C28	I24-V26 HydrophobicContact CG2-CG2 3.93Å; I24-V26 PolarHBondContact O-N 3.34Å; V26-C28 PolarHBondContact O-N 3.19Å
27	A	26.4	Very low	33	Very low	93 Å²	93	132.6 Å²	132.6	77%	0.769	70%	0.702	S	S	*	*			trans	-74.9	98.1	170.3	0	0	0	0	0	109.3	T29	A27-T29 PolarHBondContact O-N 3.46Å
28	C	28	Very low	34.4	Very low	104 Å²	104	130.2 Å²	130.2	70%	0.703	69%	0.686	S	S	*	*			trans	-77.1	106.1	157.5	-78.4	0	0	0	0	107.3	V26 N30	V26-C28 PolarHBondContact O-N 3.19Å; C28-N30 PolarHBondContact O-N 3.46Å
29	T	29.3	Very low	35.6	Very low	127 Å²	127	120.5 Å²	120.5	78%	0.779	64%	0.644	S	S	*	*			trans	-56.8	127.6	168.9	43.5	0	0	0	0	109.6	A27 S31	A27-T29 PolarHBondContact O-N 3.46Å; T29-S31 PolarHBondContact O-N 2.86Å
30	N	25.8	Very low	36.6	Very low	149 Å²	149	115.4 Å²	115.4	80%	0.797	63%	0.626	S	S	*	*			trans	-51.9	101.1	174.4	-86	-30.8	0	0	0	111.6	C28	C28-N30 PolarHBondContact O-N 3.46Å
31	S	28.5	Very low	37.2	Very low	95 Å²	95	116 Å²	116	66%	0.664	63%	0.628	S	S	*	*			trans	-119.1	100.5	147.5	60	0	0	0	0	107.8	T29 S33	T29-S31 PolarHBondContact O-N 2.86Å; S31-S33 PolarHBondContact O-N 3.4Å
32	R	26.3	Very low	37.5	Very low	218 Å²	218	109.9 Å²	109.9	82%	0.823	60%	0.604	S	S	*	*			trans	-60.4	82.7	166	-90	179.5	167.1	164.7	-0.9	109.4
33	S	30	Very low	37.8	Very low	73 Å²	73	111.6 Å²	111.6	51%	0.51	61%	0.611	S	S	.	*			trans	-116.8	58	165.4	66.3	0	0	0	0	110.6	S31 L35	S31-S33 PolarHBondContact O-N 3.4Å; S33-L35 PolarHBondContact O-N 2.91Å; S33-L35 VanDerWaalsContact O-N 3.17Å
34	E	39.7	Very low	38.1	Very low	94 Å²	94	108.3 Å²	108.3	44%	0.439	61%	0.609	S	S	.	*			trans	-64.7	108.3	153.7	-70.7	172.3	178.1	0	0	107.1	K36 R87	E34-K36 PolarHBondContact O-N 2.92Å; E34-R87 PolarHBondContact O-NH1 2.64Å
35	L	42.4	Very low	38.3	Very low	69 Å²	69	108.8 Å²	108.8	36%	0.361	61%	0.613	S	S	.	*			trans	-58.8	135.4	179.1	-69.3	130.2	0	0	0	109.3	S33 A148	S33-L35 PolarHBondContact O-N 2.91Å; S33-L35 VanDerWaalsContact O-N 3.17Å; L35-A148 HydrophobicContact CD1-CB 3.33Å; L35-A148 HydrophobicContact CD2-CB 4.38Å; L35-A148 HydrophobicContact CG-CB 4.47Å
36	K	42.8	Very low	38.7	Very low	174 Å²	174	103.8 Å²	103.8	76%	0.757	61%	0.606	S	S	*	*			trans	-54.8	132.4	166.6	-74.3	-177.5	177.9	-178.7	0	107.8	E34 S38	E34-K36 PolarHBondContact O-N 2.92Å; K36-S38 PolarHBondContact O-N 2.95Å
37	P	49.3	Very low	39.2	Very low	56 Å²	56	104.8 Å²	104.8	36%	0.364	61%	0.608	S	S	.	*			trans	-53.5	102	164.9	-26	34.8	0	0	0	109.3	M39 W90	P37-M39 PolarHBondContact O-N 2.84Å; P37-W90 HydrophobicContact CB-CH2 3.71Å; P37-W90 HydrophobicContact CB-CZ2 3.63Å; P37-W90 HydrophobicContact CG-CH2 4.14Å; P37-W90 HydrophobicContact CG-CZ2 3.98Å
38	S	57.6	Low	40	Very low	52 Å²	52	106.7 Å²	106.7	36%	0.364	60%	0.603	S	S	.	*			trans	-93.4	57.4	173.1	77.6	0	0	0	0	108.4	K36 R157 Y159	K36-S38 PolarHBondContact O-N 2.95Å; S38-R157 PolarHBondContact OG-NH2 2.89Å; S38-Y159 WeakPolarHBondContact O-CD1 3.43Å
39	M	60.7	Low	40.5	Very low	10 Å²	10	108.7 Å²	108.7	5%	0.049	61%	0.607	C	S	.	*	P	Polyproline II helix	trans	-82.3	133.8	171	-67.5	177.1	74.6	0	0	108.4	P37 W90 E114 R117 F119 V121 Y159	P37-M39 PolarHBondContact O-N 2.84Å; M39-W90 HydrophobicContact CG-CH2 4.17Å; M39-W90 HydrophobicContact CG-CZ2 4.31Å; M39-W90 HydrophobicContact SD-CH2 3.67Å; M39-W90 HydrophobicContact SD-CZ2 3.36Å; M39-W90 WeakPolarHBondContact SD-CZ2 3.44Å; M39-E114 HydrophobicContact CE-CB 3.78Å; M39-E114 HydrophobicContact CE-CG 4.15Å; M39-E114 HydrophobicContact SD-CB 4.4Å; M39-E114 HydrophobicContact SD-CG 4.13Å; M39-R117 PolarHBondContact O-NH1 3.31Å; M39-F119 HydrophobicContact CE-CB 3.53Å; M39-F119 HydrophobicContact CE-CD1 3.09Å; M39-F119 HydrophobicContact CE-CE1 3.96Å; M39-F119 HydrophobicContact CE-CG 3.57Å; M39-V121 HydrophobicContact CE-CG1 3.63Å; M39-Y159 HydrophobicContact CG-CD1 4.27Å; M39-Y159 HydrophobicContact CG-CD2 4.38Å; M39-Y159 HydrophobicContact CG-CG 4.04Å
40	P	61.6	Low	40.8	Very low	66 Å²	66	111.9 Å²	111.9	43%	0.429	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-53.1	152	168.3	-20.3	30.4	0	0	0	110.7	F119	P40-F119 HydrophobicContact CB-CE2 3.9Å; P40-F119 HydrophobicContact CB-CZ 4.41Å; P40-F119 HydrophobicContact CG-CE2 3.9Å; P40-F119 HydrophobicContact CG-CZ 3.89Å
41	L	50.1	Low	40.9	Very low	144 Å²	144	110.4 Å²	110.4	75%	0.754	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-66.4	136.1	163.8	-70.1	166.8	0	0	0	107.2	E43	L41-E43 PolarHBondContact O-N 3.45Å
42	A	41.1	Very low	41	Very low	54 Å²	54	112.2 Å²	112.2	45%	0.446	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-64.7	120.2	-179.5	0	0	0	0	0	109.9	R117	A42-R117 VanDerWaalsContact CB-O 3.23Å; A42-R117 WeakPolarHBondContact CB-O 3.31Å
43	E	38.6	Very low	41.4	Very low	192 Å²	192	112.1 Å²	112.1	90%	0.897	62%	0.621	S	S	*	*			trans	-93.1	114	164.5	-68.6	-176.9	173.6	0	0	108.5	L41	L41-E43 PolarHBondContact O-N 3.45Å
44	G	36.8	Very low	41.5	Very low	66 Å²	66	113 Å²	113	68%	0.68	63%	0.633	S	S	*	*	S	Bend	trans	50.3	105.2	153.9	0	0	0	0	0	120.2
45	N	32.8	Very low	41.2	Very low	150 Å²	150	114.6 Å²	114.6	80%	0.802	65%	0.649	S	S	*	*			trans	34.9	87.8	150.7	-72	-6.6	0	0	0	118.9	N47	N45-N47 PolarHBondContact O-N 2.93Å
46	A	37	Very low	40.8	Very low	76 Å²	76	115.9 Å²	115.9	63%	0.628	66%	0.664	S	S	*	*			trans	-87	93.1	150.4	0	0	0	0	0	109	I48	A46-I48 PolarHBondContact O-N 2.89Å
47	N	37.8	Very low	40.4	Very low	139 Å²	139	114.2 Å²	114.2	74%	0.743	67%	0.668	S	S	*	*			trans	-71.6	118.5	179.6	-115.3	-12.1	0	0	0	111	N45 N49	N45-N47 PolarHBondContact O-N 2.93Å; N47-N49 PolarHBondContact O-N 3.49Å
48	I	43.3	Very low	39.6	Very low	132 Å²	132	114.8 Å²	114.8	68%	0.677	69%	0.685	S	S	*	*			trans	-85.5	97.6	163.3	-60	174.9	0	0	0	106.6	A46	A46-I48 PolarHBondContact O-N 2.89Å
49	N	38.5	Very low	38.7	Very low	146 Å²	146	121.1 Å²	121.1	78%	0.781	71%	0.706	S	S	*	*	S	Bend	trans	54.2	119.1	164.8	-73.3	-23.1	0	0	0	121	N47	N47-N49 PolarHBondContact O-N 3.49Å
50	K	36	Very low	37.5	Very low	195 Å²	195	127 Å²	127	85%	0.848	74%	0.737	S	S	*	*			trans	95.6	152.4	148.3	-83.5	-172.4	178.5	-177.6	0	120
51	P	29	Very low	36.4	Very low	118 Å²	118	130.6 Å²	130.6	77%	0.766	76%	0.758	S	S	*	*				-104.7	166.9	-113.1	39.9	-39.3	0	0	0	117.5
52	T	30.3	Very low	35.5	Very low	132 Å²	132	130.1 Å²	130.1	81%	0.81	76%	0.761	S	S	*	*			trans	-34.9	144.3	175	48	0	0	0	0	120.1
53	K	34.1	Very low	35.3	Very low	216 Å²	216	131.2 Å²	131.2	94%	0.939	78%	0.777	S	S	*	*				-160.3	150.6	122.1	-105.1	177.1	-174.8	-175.6	0	111.9
54	A	31.8	Very low	35.2	Very low	92 Å²	92	129.5 Å²	129.5	76%	0.76	77%	0.774	S	S	*	*			trans	-104.6	-171.9	-159.3	0	0	0	0	0	114.6
55	V	34	Very low	35.5	Very low	127 Å²	127	131.5 Å²	131.5	77%	0.77	78%	0.775	S	S	*	*			trans	109.4	101.9	159.3	-172.6	0	0	0	0	113.4
56	S	33.4	Very low	35.7	Very low	96 Å²	96	130.6 Å²	130.6	67%	0.671	78%	0.777	S	S	*	*				68.4	143.8	86.5	110.8	0	0	0	0	113.3
57	T	33.8	Very low	35.7	Very low	139 Å²	139	136.7 Å²	136.7	85%	0.853	79%	0.789	S	S	*	*			cis	-178.4	153.6	2.7	18.3	0	0	0	0	107.4
58	G	33.8	Very low	35.8	Very low	69 Å²	69	137.3 Å²	137.3	71%	0.711	80%	0.798	S	S	*	*			trans	147	97.5	161.3	0	0	0	0	0	113.6
59	K	38.8	Very low	35.7	Very low	185 Å²	185	135.7 Å²	135.7	80%	0.804	80%	0.804	S	S	*	*				74.4	104.1	86.3	-77.5	-163.8	170.3	-172.7	0	114.3
60	D	35.3	Very low	35.4	Very low	133 Å²	133	133.5 Å²	133.5	71%	0.711	81%	0.807	S	S	*	*				87.9	132.1	107.9	-56.6	-29.6	0	0	0	110.3
61	V	38.1	Very low	35.6	Very low	141 Å²	141	129.9 Å²	129.9	86%	0.855	81%	0.806	S	S	*	*				-172.4	146.2	66.7	167.4	0	0	0	0	109.6
62	V	31	Very low	35.9	Very low	135 Å²	135	133.7 Å²	133.7	82%	0.818	81%	0.813	S	S	*	*			trans	-80.8	146.3	175.4	170.4	0	0	0	0	111.8
63	G	35.9	Very low	36.3	Very low	76 Å²	76	136.2 Å²	136.2	78%	0.784	82%	0.818	S	S	*	*			trans	-154.7	114.3	166	0	0	0	0	0	112.3
64	D	36.7	Very low	36.5	Very low	157 Å²	157	133.8 Å²	133.8	84%	0.84	81%	0.81	S	S	*	*			trans	-80.1	164	179.7	-108.1	-24.8	0	0	0	113.4
65	P	42.8	Very low	36.6	Very low	108 Å²	108	137.7 Å²	137.7	70%	0.701	82%	0.817	S	S	*	*			trans	-103.6	178.9	-158	41.1	-37	0	0	0	114.2
66	P	38.7	Very low	37.1	Very low	130 Å²	130	141.8 Å²	141.8	84%	0.844	82%	0.819	S	S	*	*			trans	-124.1	151.9	158.3	33.6	-18.4	0	0	0	115.5
67	K	35.6	Very low	37.4	Very low	204 Å²	204	146.3 Å²	146.3	89%	0.887	83%	0.826	S	S	*	*			trans	-70.4	142.3	177.8	-61.2	166.9	174.4	175.6	0	112.5
68	V	41.2	Very low	37.9	Very low	152 Å²	152	145 Å²	145	92%	0.921	82%	0.821	S	S	*	*			trans	-144.8	150	147.7	-174.7	0	0	0	0	110.5
69	A	39.7	Very low	38.3	Very low	99 Å²	99	147.2 Å²	147.2	82%	0.818	82%	0.822	S	S	*	*			trans	-83.1	176	-153.6	0	0	0	0	0	117.4
70	A	32.5	Very low	38.6	Very low	100 Å²	100	143.2 Å²	143.2	83%	0.826	82%	0.824	S	S	*	*			trans	-66.6	148.8	-167.9	0	0	0	0	0	116.3
71	S	40.3	Very low	38.8	Very low	119 Å²	119	143.9 Å²	143.9	83%	0.832	83%	0.826	S	S	*	*			trans	-142.7	135.6	145.1	55.4	0	0	0	0	109.1
72	E	35.6	Very low	38.7	Very low	198 Å²	198	141.3 Å²	141.3	93%	0.925	82%	0.819	S	S	*	*			trans	-65	130.2	-175.9	-69.9	165.1	131.4	0	0	111.5
73	M	39.7	Very low	38.8	Very low	185 Å²	185	142.8 Å²	142.8	91%	0.911	82%	0.819	S	S	*	*			trans	-142.2	111	163.8	-130	175.5	82.8	0	0	110.2
74	E	38.2	Very low	38.6	Very low	164 Å²	164	147.4 Å²	147.4	77%	0.766	82%	0.821	S	S	*	*			trans	7.9	117.4	164.6	-61.2	-170.1	146.5	0	0	118.9	R76	E74-R76 VanDerWaalsContact C-N 3.35Å; E74-R76 PolarHBondContact O-N 3.07Å
75	L	33.1	Very low	38.7	Very low	174 Å²	174	147.3 Å²	147.3	91%	0.911	82%	0.818	S	S	*	*			trans	-67.4	81	174.2	-166.3	76.2	0	0	0	112
76	R	44	Very low	38.5	Very low	214 Å²	214	151 Å²	151	81%	0.808	82%	0.824	S	S	*	*			trans	-79.4	112.7	160.4	-73	-175.5	177.3	-157.9	-0.5	109	E74 P78	E74-R76 VanDerWaalsContact C-N 3.35Å; E74-R76 PolarHBondContact O-N 3.07Å; R76-P78 WeakPolarHBondContact O-CD 3.47Å
77	K	41.3	Very low	39.3	Very low	190 Å²	190	151 Å²	151	83%	0.826	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-55.8	121.9	171.6	-79.9	179.8	177.1	176.2	0	109.6
78	P	43	Very low	40.9	Very low	113 Å²	113	146.7 Å²	146.7	73%	0.734	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-67.8	139.2	170.5	-10.3	25	0	0	0	108.9	R76 A80	R76-P78 WeakPolarHBondContact O-CD 3.47Å; P78-A80 PolarHBondContact O-N 2.81Å
79	P	43.1	Very low	42.9	Very low	114 Å²	114	145 Å²	145	74%	0.74	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-61.9	134.5	171.4	26	-30.8	0	0	0	109	I81	P79-I81 PolarHBondContact O-N 2.81Å
80	A	44.5	Very low	45.4	Very low	101 Å²	101	141.4 Å²	141.4	84%	0.835	74%	0.739	S	S	*	*			trans	-58.3	103.2	176.2	0	0	0	0	0	109.7	P78 A82	P78-A80 PolarHBondContact O-N 2.81Å; A80-A82 VanDerWaalsContact C-N 3.26Å; A80-A82 PolarHBondContact O-N 3.17Å
81	I	40.7	Very low	48.3	Very low	147 Å²	147	138.8 Å²	138.8	75%	0.754	72%	0.715	S	S	*	*			trans	-71.3	91.1	167.9	-60.9	172.5	0	0	0	106.2	P79 M83	P79-I81 PolarHBondContact O-N 2.81Å; I81-M83 HydrophobicContact CG2-CG 4.03Å; I81-M83 PolarHBondContact O-N 3.16Å
82	A	34.9	Very low	50.8	Low	88 Å²	88	135.3 Å²	135.3	73%	0.727	69%	0.687	S	S	*	*			trans	-66.7	86.2	162.1	0	0	0	0	0	107.8	A80 Q84	A80-A82 VanDerWaalsContact C-N 3.26Å; A80-A82 PolarHBondContact O-N 3.17Å; A82-Q84 VanDerWaalsContact C-N 3.27Å; A82-Q84 PolarHBondContact O-N 2.79Å
83	M	33.8	Very low	53.7	Low	166 Å²	166	131.9 Å²	131.9	82%	0.818	68%	0.675	S	S	*	*			trans	-62.6	92.7	166.3	-94.9	-175.2	154.7	0	0	108.3	I81 I85	I81-M83 HydrophobicContact CG2-CG 4.03Å; I81-M83 PolarHBondContact O-N 3.16Å; M83-I85 VanDerWaalsContact C-N 3.31Å; M83-I85 PolarHBondContact O-N 3.07Å
84	Q	32.4	Very low	56.3	Low	173 Å²	173	124.6 Å²	124.6	81%	0.808	64%	0.64	S	S	*	*			trans	-61.3	97.3	160.4	-85.7	175.8	-9.2	0	0	107.5	A82 K86	A82-Q84 VanDerWaalsContact C-N 3.27Å; A82-Q84 PolarHBondContact O-N 2.79Å; Q84-K86 PolarHBondContact O-N 3.41Å
85	I	37.3	Very low	59.1	Low	154 Å²	154	117.2 Å²	117.2	79%	0.79	61%	0.605	S	S	*	*			trans	-62.4	93.1	165.6	-59.6	175.1	0	0	0	106.3	M83 R87	M83-I85 VanDerWaalsContact C-N 3.31Å; M83-I85 PolarHBondContact O-N 3.07Å; I85-R87 PolarHBondContact O-N 3.32Å; I85-R87 VanDerWaalsContact O-N 3.07Å
86	K	39.1	Very low	62.2	Low	187 Å²	187	111.5 Å²	111.5	81%	0.813	58%	0.575	S	S	*	*			trans	-56.5	115.5	167.8	-80	-173.7	176.9	-179.7	0	106.6	Q84 H88	Q84-K86 PolarHBondContact O-N 3.41Å; K86-H88 PolarHBondContact O-N 3.45Å; K86-H88 VanDerWaalsContact O-N 3.17Å
87	R	55.8	Low	64.7	Low	130 Å²	130	105.5 Å²	105.5	49%	0.491	56%	0.559	S	S	.	*			trans	-60.7	119.5	175	-67	-178.6	-177.2	167.8	0.4	106.9	E34 I85 I89	E34-R87 PolarHBondContact O-NH1 2.64Å; I85-R87 PolarHBondContact O-N 3.32Å; I85-R87 VanDerWaalsContact O-N 3.07Å; R87-I89 PolarHBondContact O-N 3.03Å; R87-I89 VanDerWaalsContact O-N 3.16Å
88	H	69.6	Low	67.3	Low	113 Å²	113	98.4 Å²	98.4	52%	0.523	54%	0.539	S	S	.	.			trans	-67.7	112.5	174.7	-174.9	-88.8	0	0	0	108.2	K86 W90 D94	K86-H88 PolarHBondContact O-N 3.45Å; K86-H88 VanDerWaalsContact O-N 3.17Å; H88-W90 AromaticContact ND1-CD1 3.94Å; H88-D94 IonicContact CE1-OD1 2.72Å; H88-D94 PolarHBondContact CE1-OD1 3.27Å; H88-D94 IonicContact CE1-OD2 3.27Å; H88-D94 PolarHBondContact CE1-OD2 3.45Å; H88-D94 VanDerWaalsContact CE1-OD2 3.3Å; H88-D94 IonicContact NE2-OD1 3.78Å
89	I	83.2	Confident	69.8	Low	115 Å²	115	100.9 Å²	100.9	59%	0.59	53%	0.534	S	S	*	.			trans	-83.4	121.9	173.8	-59.6	174.1	0	0	0	106.4	R87	R87-I89 PolarHBondContact O-N 3.03Å; R87-I89 VanDerWaalsContact O-N 3.16Å
90	W	91.4	Very high	72.3	Confident	24 Å²	24	99.4 Å²	99.4	9%	0.091	52%	0.517	C	S	.	.			trans	-63.8	144.3	176.7	-79.7	-42.4	0	0	0	112	P37 M39 H88 D94 F95 F162 V171	P37-W90 HydrophobicContact CB-CH2 3.71Å; P37-W90 HydrophobicContact CB-CZ2 3.63Å; P37-W90 HydrophobicContact CG-CH2 4.14Å; P37-W90 HydrophobicContact CG-CZ2 3.98Å; M39-W90 HydrophobicContact CG-CH2 4.17Å; M39-W90 HydrophobicContact CG-CZ2 4.31Å; M39-W90 HydrophobicContact SD-CH2 3.67Å; M39-W90 HydrophobicContact SD-CZ2 3.36Å; M39-W90 WeakPolarHBondContact SD-CZ2 3.44Å; H88-W90 AromaticContact ND1-CD1 3.94Å; W90-D94 VanDerWaalsContact CA-OD2 3.28Å; W90-D94 WeakPolarHBondContact CA-OD2 3.48Å; W90-F95 HydrophobicContact CB-CE2 4.13Å; W90-F95 HydrophobicContact CD2-CE2 4.37Å; W90-F95 AromaticContact CD2-CZ 3.95Å; W90-F95 HydrophobicContact CD2-CZ 3.95Å; W90-F95 HydrophobicContact CE3-CZ 4.42Å; W90-F95 AromaticContact CG-CE2 3.98Å; W90-F95 HydrophobicContact CG-CE2 3.98Å; W90-F95 HydrophobicContact CG-CZ 4.03Å; W90-F162 HydrophobicContact CB-CB 4.23Å; W90-F162 HydrophobicContact CB-CD1 3.61Å; W90-F162 HydrophobicContact CB-CE1 4.1Å; W90-F162 HydrophobicContact CB-CG 3.98Å; W90-F162 WeakPolarHBondContact O-CB 3.4Å; W90-F162 WeakPolarHBondContact O-CG 3.36Å; W90-V171 HydrophobicContact CD2-CG2 4.48Å; W90-V171 HydrophobicContact CE3-CB 4.32Å; W90-V171 HydrophobicContact CE3-CG2 3.67Å; W90-V171 HydrophobicContact CH2-CB 4.38Å; W90-V171 HydrophobicContact CH2-CG1 4.1Å; W90-V171 HydrophobicContact CZ3-CB 3.79Å; W90-V171 HydrophobicContact CZ3-CG1 4Å; W90-V171 HydrophobicContact CZ3-CG2 3.67Å
91	S	93.8	Very high	74.6	Confident	46 Å²	46	97.4 Å²	97.4	32%	0.322	49%	0.492	S	S	.	.			trans	-122.4	175.1	163.5	82.8	0	0	0	0	109.8	D93 D94 F95 F162	S91-D93 PolarHBondContact O-N 3.16Å; S91-D93 PolarHBondContact OG-N 3.24Å; S91-D93 VanDerWaalsContact OG-N 3.16Å; S91-D94 PolarHBondContact N-OD2 3.34Å; S91-D94 PolarHBondContact O-N 2.96Å; S91-F95 WeakPolarHBondContact O-CD2 3.22Å; S91-F162 VanDerWaalsContact C-CE2 3.48Å
92	L	93.5	Very high	76.8	Confident	46 Å²	46	91.6 Å²	91.6	24%	0.241	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-63.7	-27.6	175	-169	62.4	0	0	0	112	D94 F95 L97 L123 F162 Y169	L92-D94 PolarHBondContact O-N 3.21Å; L92-F95 PolarHBondContact O-N 3.35Å; L92-F95 VanDerWaalsContact O-N 3.12Å; L92-L97 HydrophobicContact CD1-CD1 4.2Å; L92-L97 HydrophobicContact CD1-CD2 4.21Å; L92-L97 HydrophobicContact CD1-CG 4.45Å; L92-L123 HydrophobicContact CD1-CD2 3.88Å; L92-F162 HydrophobicContact CB-CE2 4.45Å; L92-Y169 HydrophobicContact CD1-CD1 4.32Å; L92-Y169 HydrophobicContact CD1-CE1 3.68Å
93	D	94.8	Very high	79.3	Confident	126 Å²	126	97.7 Å²	97.7	67%	0.674	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-68.3	-15.7	-178.6	-62.9	-36.2	0	0	0	112.9	S91 F95 K115	S91-D93 PolarHBondContact O-N 3.16Å; S91-D93 PolarHBondContact OG-N 3.24Å; S91-D93 VanDerWaalsContact OG-N 3.16Å; D93-F95 PolarHBondContact O-N 3.17Å; D93-K115 VanDerWaalsContact O-CD 3.29Å; D93-K115 WeakPolarHBondContact O-CD 3.5Å; D93-K115 VanDerWaalsContact O-CE 3.3Å; D93-K115 WeakPolarHBondContact O-CE 3.47Å; D93-K115 PolarHBondContact O-NZ 3.1Å
94	D	95.7	Very high	81.5	Confident	32 Å²	32	91.3 Å²	91.3	17%	0.171	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-77.4	-4.5	174.6	-62.6	-51.9	0	0	0	113.5	H88 W90 S91 L92 K115	H88-D94 IonicContact CE1-OD1 2.72Å; H88-D94 PolarHBondContact CE1-OD1 3.27Å; H88-D94 IonicContact CE1-OD2 3.27Å; H88-D94 PolarHBondContact CE1-OD2 3.45Å; H88-D94 VanDerWaalsContact CE1-OD2 3.3Å; H88-D94 IonicContact NE2-OD1 3.78Å; W90-D94 VanDerWaalsContact CA-OD2 3.28Å; W90-D94 WeakPolarHBondContact CA-OD2 3.48Å; S91-D94 PolarHBondContact N-OD2 3.34Å; S91-D94 PolarHBondContact O-N 2.96Å; L92-D94 PolarHBondContact O-N 3.21Å; D94-K115 WeakPolarHBondContact O-CB 3.28Å; D94-K115 WeakPolarHBondContact O-CG 3.48Å; D94-K115 PolarHBondContact O-N 2.96Å
95	F	97	Very high	83.7	Confident	8 Å²	8	89.8 Å²	89.8	4%	0.035	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.5	-173.7	-61.2	-90.5	0	0	0	112.3	W90 S91 L92 D93 A112 R113 E114 V121 F162 V171	W90-F95 HydrophobicContact CB-CE2 4.13Å; W90-F95 HydrophobicContact CD2-CE2 4.37Å; W90-F95 AromaticContact CD2-CZ 3.95Å; W90-F95 HydrophobicContact CD2-CZ 3.95Å; W90-F95 HydrophobicContact CE3-CZ 4.42Å; W90-F95 AromaticContact CG-CE2 3.98Å; W90-F95 HydrophobicContact CG-CE2 3.98Å; W90-F95 HydrophobicContact CG-CZ 4.03Å; S91-F95 WeakPolarHBondContact O-CD2 3.22Å; L92-F95 PolarHBondContact O-N 3.35Å; L92-F95 VanDerWaalsContact O-N 3.12Å; D93-F95 PolarHBondContact O-N 3.17Å; F95-A112 HydrophobicContact CB-CB 4.38Å; F95-A112 HydrophobicContact CD1-CB 4.33Å; F95-R113 CarbonylContact C-O 3.47Å; F95-R113 WeakPolarHBondContact CA-O 3.46Å; F95-E114 HydrophobicContact CD1-CB 4.05Å; F95-E114 HydrophobicContact CD1-CG 4.47Å; F95-E114 HydrophobicContact CE1-CB 3.8Å; F95-E114 HydrophobicContact CE1-CG 3.96Å; F95-E114 HydrophobicContact CZ-CG 4.34Å; F95-V121 HydrophobicContact CD1-CG2 4.09Å; F95-V121 HydrophobicContact CE1-CG2 3.98Å; F95-F162 HydrophobicContact CD2-CE1 4.28Å; F95-F162 HydrophobicContact CD2-CZ 4.16Å; F95-F162 AromaticContact CE2-CE1 3.62Å; F95-F162 HydrophobicContact CE2-CE1 3.62Å; F95-F162 AromaticContact CE2-CZ 3.94Å; F95-F162 HydrophobicContact CE2-CZ 3.94Å; F95-F162 HydrophobicContact CZ-CE1 4.24Å; F95-V171 HydrophobicContact CE1-CG1 4.12Å; F95-V171 HydrophobicContact CE1-CG2 4.38Å; F95-V171 HydrophobicContact CZ-CG1 4.25Å; F95-V171 HydrophobicContact CZ-CG2 3.82Å
96	D	96.9	Very high	86	Confident	54 Å²	54	83.9 Å²	83.9	29%	0.289	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	115.4	160.9	-62	-40.2	0	0	0	108.4	A112 R113 K115	D96-A112 CarbonylContact O-C 3.53Å; D96-A112 VanDerWaalsContact O-CA 3.23Å; D96-A112 WeakPolarHBondContact O-CA 3.3Å; D96-R113 HydrophobicContact CB-CB 4.34Å; D96-R113 PolarHBondContact N-O 2.88Å; D96-R113 PolarHBondContact O-N 3.46Å; D96-R113 IonicContact OD2-CZ 3.31Å; D96-R113 IonicContact OD2-NE 2.88Å; D96-R113 PolarHBondContact OD2-NE 3.49Å; D96-R113 IonicContact OD2-NH2 3.74Å; D96-R113 PolarHBondContact OD2-NH2 3.39Å; D96-K115 WeakPolarHBondContact OD1-CE 3.24Å; D96-K115 IonicContact OD1-NZ 3Å
97	L	96.4	Very high	88.4	Confident	89 Å²	89	75.5 Å²	75.5	47%	0.466	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130.8	176.6	-63.5	179.4	0	0	0	110.9	L92 A112 L123	L92-L97 HydrophobicContact CD1-CD1 4.2Å; L92-L97 HydrophobicContact CD1-CD2 4.21Å; L92-L97 HydrophobicContact CD1-CG 4.45Å; L97-A112 HydrophobicContact CD2-CB 4.13Å; L97-L123 HydrophobicContact CD2-CD2 3.68Å
98	G	95.9	Very high	90.2	Very high	40 Å²	40	75 Å²	75	41%	0.412	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-153	173	0	0	0	0	0	112.6	L111	G98-L111 WeakPolarHBondContact CA-O 3.21Å; G98-L111 PolarHBondContact N-O 2.76Å
99	R	95.8	Very high	91.4	Very high	166 Å²	166	71 Å²	71	63%	0.626	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	153	-179.4	68.4	178.2	-176.9	140.5	2.4	112.7	L111	R99-L111 HydrophobicContact CG-CB 4.34Å; R99-L111 HydrophobicContact CG-CD2 4.49Å; R99-L111 PolarHBondContact O-N 3.03Å
100	Q	96	Very high	92	Very high	82 Å²	82	67.8 Å²	67.8	38%	0.383	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	131.1	168.5	-171.4	175.7	-17.5	0	0	109.8	G102 V109 F110	Q100-G102 WeakPolarHBondContact CG-O 3.27Å; Q100-G102 PolarHBondContact NE2-O 2.85Å; Q100-V109 WeakPolarHBondContact CG-O 3.25Å; Q100-F110 HydrophobicContact CB-CD1 4.07Å; Q100-F110 HydrophobicContact CB-CE1 4.01Å; Q100-F110 HydrophobicContact CG-CD1 4.44Å; Q100-F110 HydrophobicContact CG-CE1 4.24Å
101	L	92.5	Very high	92.3	Very high	59 Å²	59	68.1 Å²	68.1	31%	0.309	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-33.1	177.6	-65.1	174.6	0	0	0	112	V109 L111 A122 Y174	L101-V109 HydrophobicContact CB-CB 4.46Å; L101-V109 HydrophobicContact CB-CG1 4.28Å; L101-V109 HydrophobicContact CD1-CG1 4.33Å; L101-V109 PolarHBondContact N-O 3Å; L101-L111 HydrophobicContact CD1-CB 4.14Å; L101-L111 HydrophobicContact CD2-CB 4.12Å; L101-L111 HydrophobicContact CG-CB 4.08Å; L101-A122 HydrophobicContact CD1-CB 3.97Å; L101-Y174 HydrophobicContact CD1-CD2 3.72Å; L101-Y174 HydrophobicContact CD1-CE2 3.6Å; L101-Y174 HydrophobicContact CD2-CE2 3.74Å; L101-Y174 HydrophobicContact CG-CE2 4.33Å
102	G	88.3	Confident	92.5	Very high	26 Å²	26	66 Å²	66	27%	0.268	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	177.2	-177.5	0	0	0	0	0	113.3	Q100 V109	Q100-G102 WeakPolarHBondContact CG-O 3.27Å; Q100-G102 PolarHBondContact NE2-O 2.85Å; G102-V109 PolarHBondContact N-O 3.24Å; G102-V109 PolarHBondContact O-N 2.72Å
103	R	86.5	Confident	92.7	Very high	215 Å²	215	67.7 Å²	67.7	81%	0.811	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.9	176	-177	179.9	178.9	179.3	-1.4	108.6
104	G	79.5	Confident	92.8	Very high	32 Å²	32	62.1 Å²	62.1	33%	0.33	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	178.4	173.7	0	0	0	0	0	111.8	F106 G107	G104-F106 VanDerWaalsContact C-N 3.34Å; G104-F106 PolarHBondContact O-N 2.7Å; G104-G107 PolarHBondContact N-O 3.24Å; G104-G107 PolarHBondContact O-N 3.04Å; G104-G107 VanDerWaalsContact O-O 3.07Å
105	R	78.9	Confident	92.8	Very high	142 Å²	142	64.9 Å²	64.9	54%	0.536	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-43.4	179	-174.5	175.9	-178.7	171.5	8.3	113.4	M136	R105-M136 PolarHBondContact NH1-SD 3.02Å; R105-M136 VanDerWaalsContact NH1-SD 3.45Å
106	F	85.2	Confident	92.6	Very high	30 Å²	30	73 Å²	73	13%	0.132	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	6.9	-174.2	-54.6	-64.8	0	0	0	114.1	G104 L126 F127 T130 V131 A134 M136	G104-F106 VanDerWaalsContact C-N 3.34Å; G104-F106 PolarHBondContact O-N 2.7Å; F106-L126 HydrophobicContact CB-CD2 4.04Å; F106-F127 WeakPolarHBondContact O-CD2 3.26Å; F106-F127 PolarHBondContact O-N 2.79Å; F106-T130 PolarHBondContact O-OG1 2.81Å; F106-V131 HydrophobicContact CB-CG2 3.85Å; F106-V131 HydrophobicContact CD1-CG2 4.06Å; F106-V131 HydrophobicContact CD2-CG2 4.36Å; F106-V131 HydrophobicContact CG-CG2 3.82Å; F106-A134 HydrophobicContact CE1-CB 3.82Å; F106-A134 HydrophobicContact CZ-CB 4.49Å; F106-M136 HydrophobicContact CE1-SD 4.44Å; F106-M136 HydrophobicContact CE2-CB 4.42Å; F106-M136 HydrophobicContact CE2-SD 4.29Å; F106-M136 HydrophobicContact CZ-CB 3.89Å; F106-M136 HydrophobicContact CZ-CG 3.97Å; F106-M136 HydrophobicContact CZ-SD 3.52Å; F106-M136 VanDerWaalsContact CZ-SD 3.52Å
107	G	89.1	Confident	92.4	Very high	10 Å²	10	75 Å²	75	10%	0.103	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.7	-143.5	179.2	0	0	0	0	0	114.2	G104 V125	G104-G107 PolarHBondContact N-O 3.24Å; G104-G107 PolarHBondContact O-N 3.04Å; G104-G107 VanDerWaalsContact O-O 3.07Å; G107-V125 CarbonylContact C-O 3.53Å; G107-V125 VanDerWaalsContact CA-O 3.27Å; G107-V125 WeakPolarHBondContact CA-O 3.1Å
108	R	93.5	Very high	92.3	Very high	119 Å²	119	75.6 Å²	75.6	45%	0.449	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153.3	-167.2	-62.8	-178.8	-176.2	-167.1	7.1	110.7	F110 V125	R108-F110 HydrophobicContact CB-CD2 4.3Å; R108-F110 HydrophobicContact CB-CE2 3.51Å; R108-F110 HydrophobicContact CB-CZ 3.79Å; R108-F110 HydrophobicContact CG-CZ 4.48Å; R108-V125 PolarHBondContact N-O 3.31Å; R108-V125 VanDerWaalsContact N-O 3.09Å; R108-V125 PolarHBondContact O-N 3.3Å
109	V	94.8	Very high	92.2	Very high	31 Å²	31	75.3 Å²	75.3	19%	0.188	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.1	174.7	-172.2	0	0	0	0	108.2	Q100 L101 G102 A122 L123 K124	Q100-V109 WeakPolarHBondContact CG-O 3.25Å; L101-V109 HydrophobicContact CB-CB 4.46Å; L101-V109 HydrophobicContact CB-CG1 4.28Å; L101-V109 HydrophobicContact CD1-CG1 4.33Å; L101-V109 PolarHBondContact N-O 3Å; G102-V109 PolarHBondContact N-O 3.24Å; G102-V109 PolarHBondContact O-N 2.72Å; V109-A122 HydrophobicContact CG1-CB 4.04Å; V109-L123 WeakPolarHBondContact CA-O 3.26Å; V109-K124 HydrophobicContact CG2-CB 4.09Å; V109-K124 HydrophobicContact CG2-CG 4.05Å
110	F	97.2	Very high	92.2	Very high	46 Å²	46	69.9 Å²	69.9	20%	0.202	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.2	-180	-62.5	-89.6	0	0	0	110.6	Q100 R108 A122 L123 V125	Q100-F110 HydrophobicContact CB-CD1 4.07Å; Q100-F110 HydrophobicContact CB-CE1 4.01Å; Q100-F110 HydrophobicContact CG-CD1 4.44Å; Q100-F110 HydrophobicContact CG-CE1 4.24Å; R108-F110 HydrophobicContact CB-CD2 4.3Å; R108-F110 HydrophobicContact CB-CE2 3.51Å; R108-F110 HydrophobicContact CB-CZ 3.79Å; R108-F110 HydrophobicContact CG-CZ 4.48Å; F110-A122 CarbonylContact O-C 3.19Å; F110-A122 WeakPolarHBondContact O-CA 3.34Å; F110-L123 PolarHBondContact N-O 2.8Å; F110-L123 PolarHBondContact O-N 2.97Å; F110-V125 HydrophobicContact CD2-CG2 3.91Å; F110-V125 HydrophobicContact CE2-CG2 4.07Å
111	L	97.5	Very high	92.3	Very high	31 Å²	31	66 Å²	66	16%	0.162	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	134.5	160.7	-176.7	65	0	0	0	106.9	G98 R99 L101 I120 Y174	G98-L111 WeakPolarHBondContact CA-O 3.21Å; G98-L111 PolarHBondContact N-O 2.76Å; R99-L111 HydrophobicContact CG-CB 4.34Å; R99-L111 HydrophobicContact CG-CD2 4.49Å; R99-L111 PolarHBondContact O-N 3.03Å; L101-L111 HydrophobicContact CD1-CB 4.14Å; L101-L111 HydrophobicContact CD2-CB 4.12Å; L101-L111 HydrophobicContact CG-CB 4.08Å; L111-I120 HydrophobicContact CD1-CG2 3.46Å; L111-I120 VanDerWaalsContact CD1-CG2 3.46Å; L111-I120 HydrophobicContact CG-CG2 4.47Å; L111-Y174 HydrophobicContact CD1-CD1 3.95Å; L111-Y174 HydrophobicContact CD1-CD2 3.81Å; L111-Y174 HydrophobicContact CD1-CE1 3.86Å; L111-Y174 HydrophobicContact CD1-CE2 3.73Å; L111-Y174 HydrophobicContact CD1-CG 3.92Å
112	A	97.9	Very high	92.6	Very high	2 Å²	2	63.5 Å²	63.5	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	158.6	175.2	0	0	0	0	0	110.7	F95 D96 L97 I120 V121 L123	F95-A112 HydrophobicContact CB-CB 4.38Å; F95-A112 HydrophobicContact CD1-CB 4.33Å; D96-A112 CarbonylContact O-C 3.53Å; D96-A112 VanDerWaalsContact O-CA 3.23Å; D96-A112 WeakPolarHBondContact O-CA 3.3Å; L97-A112 HydrophobicContact CD2-CB 4.13Å; A112-I120 WeakPolarHBondContact O-CA 3.4Å; A112-V121 HydrophobicContact CB-CG2 3.93Å; A112-V121 PolarHBondContact N-O 3.17Å; A112-V121 PolarHBondContact O-N 2.93Å; A112-V121 VanDerWaalsContact O-O 3.1Å; A112-L123 HydrophobicContact CB-CB 4.08Å
113	R	97.9	Very high	93	Very high	82 Å²	82	62.3 Å²	62.3	31%	0.309	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123	172.1	-178.2	175.9	61.1	-155.5	-0.5	109	F95 D96 K115 Q118 F119 I120	F95-R113 CarbonylContact C-O 3.47Å; F95-R113 WeakPolarHBondContact CA-O 3.46Å; D96-R113 HydrophobicContact CB-CB 4.34Å; D96-R113 PolarHBondContact N-O 2.88Å; D96-R113 PolarHBondContact O-N 3.46Å; D96-R113 IonicContact OD2-CZ 3.31Å; D96-R113 IonicContact OD2-NE 2.88Å; D96-R113 PolarHBondContact OD2-NE 3.49Å; D96-R113 IonicContact OD2-NH2 3.74Å; D96-R113 PolarHBondContact OD2-NH2 3.39Å; R113-K115 PolarHBondContact O-N 3.3Å; R113-Q118 VanDerWaalsContact CD-OE1 3.25Å; R113-Q118 VanDerWaalsContact NE-OE1 3.12Å; R113-F119 WeakPolarHBondContact CA-O 3.4Å; R113-I120 HydrophobicContact CB-CD1 3.79Å; R113-I120 HydrophobicContact CG-CD1 3.89Å
114	E	96.4	Very high	93.4	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.8	172.7	-169.8	-80.9	139.3	0	0	109	M39 F95 K116 R117 Q118 F119	M39-E114 HydrophobicContact CE-CB 3.78Å; M39-E114 HydrophobicContact CE-CG 4.15Å; M39-E114 HydrophobicContact SD-CB 4.4Å; M39-E114 HydrophobicContact SD-CG 4.13Å; F95-E114 HydrophobicContact CD1-CB 4.05Å; F95-E114 HydrophobicContact CD1-CG 4.47Å; F95-E114 HydrophobicContact CE1-CB 3.8Å; F95-E114 HydrophobicContact CE1-CG 3.96Å; F95-E114 HydrophobicContact CZ-CG 4.34Å; E114-K116 PolarHBondContact O-N 3.4Å; E114-K116 WeakPolarHBondContact OE1-CB 3.44Å; E114-K116 PolarHBondContact OE1-N 2.95Å; E114-K116 PolarHBondContact OE2-N 3.37Å; E114-R117 WeakPolarHBondContact OE2-CA 3.35Å; E114-R117 WeakPolarHBondContact OE2-CB 3.49Å; E114-R117 VanDerWaalsContact OE2-CG 3.31Å; E114-R117 WeakPolarHBondContact OE2-CG 3.37Å; E114-R117 PolarHBondContact OE2-N 2.93Å; E114-Q118 WeakPolarHBondContact O-CA 3.45Å; E114-Q118 PolarHBondContact O-N 3.32Å; E114-F119 PolarHBondContact N-O 3.36Å; E114-F119 PolarHBondContact O-N 3.39Å
115	K	95.5	Very high	94.1	Very high	90 Å²	90	52.5 Å²	52.5	39%	0.391	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-35.9	-166.9	-72.7	177.1	-179.2	169.6	0	113.1	D93 D94 D96 R113 Q118	D93-K115 VanDerWaalsContact O-CD 3.29Å; D93-K115 WeakPolarHBondContact O-CD 3.5Å; D93-K115 VanDerWaalsContact O-CE 3.3Å; D93-K115 WeakPolarHBondContact O-CE 3.47Å; D93-K115 PolarHBondContact O-NZ 3.1Å; D94-K115 WeakPolarHBondContact O-CB 3.28Å; D94-K115 WeakPolarHBondContact O-CG 3.48Å; D94-K115 PolarHBondContact O-N 2.96Å; D96-K115 WeakPolarHBondContact OD1-CE 3.24Å; D96-K115 IonicContact OD1-NZ 3Å; R113-K115 PolarHBondContact O-N 3.3Å; K115-Q118 PolarHBondContact O-NE2 3.4Å
116	K	92.4	Very high	94.9	Very high	178 Å²	178	46 Å²	46	77%	0.774	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-43.6	-174.2	-169.2	177.3	178.2	168.5	0	112.5	E114	E114-K116 PolarHBondContact O-N 3.4Å; E114-K116 WeakPolarHBondContact OE1-CB 3.44Å; E114-K116 PolarHBondContact OE1-N 2.95Å; E114-K116 PolarHBondContact OE2-N 3.37Å
117	R	92.4	Very high	95.3	Very high	96 Å²	96	48.3 Å²	48.3	36%	0.362	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-4.2	-176.8	-56.8	176.1	176.5	-134.2	-1.1	112.9	M39 A42 E114 F119	M39-R117 PolarHBondContact O-NH1 3.31Å; A42-R117 VanDerWaalsContact CB-O 3.23Å; A42-R117 WeakPolarHBondContact CB-O 3.31Å; E114-R117 WeakPolarHBondContact OE2-CA 3.35Å; E114-R117 WeakPolarHBondContact OE2-CB 3.49Å; E114-R117 VanDerWaalsContact OE2-CG 3.31Å; E114-R117 WeakPolarHBondContact OE2-CG 3.37Å; E114-R117 PolarHBondContact OE2-N 2.93Å; R117-F119 HydrophobicContact CB-CB 4.18Å; R117-F119 PolarHBondContact O-N 3.11Å
118	Q	94.2	Very high	95.6	Very high	102 Å²	102	50.5 Å²	50.5	48%	0.477	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	31.4	-173.8	-62.4	-66.9	-57.2	0	0	112.6	R113 E114 K115	R113-Q118 VanDerWaalsContact CD-OE1 3.25Å; R113-Q118 VanDerWaalsContact NE-OE1 3.12Å; E114-Q118 WeakPolarHBondContact O-CA 3.45Å; E114-Q118 PolarHBondContact O-N 3.32Å; K115-Q118 PolarHBondContact O-NE2 3.4Å
119	F	94.4	Very high	95.6	Very high	35 Å²	35	48.8 Å²	48.8	15%	0.154	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132	-173.1	-173.6	-86.1	0	0	0	111.2	M39 P40 R113 E114 R117 V121 Y159	M39-F119 HydrophobicContact CE-CB 3.53Å; M39-F119 HydrophobicContact CE-CD1 3.09Å; M39-F119 HydrophobicContact CE-CE1 3.96Å; M39-F119 HydrophobicContact CE-CG 3.57Å; P40-F119 HydrophobicContact CB-CE2 3.9Å; P40-F119 HydrophobicContact CB-CZ 4.41Å; P40-F119 HydrophobicContact CG-CE2 3.9Å; P40-F119 HydrophobicContact CG-CZ 3.89Å; R113-F119 WeakPolarHBondContact CA-O 3.4Å; E114-F119 PolarHBondContact N-O 3.36Å; E114-F119 PolarHBondContact O-N 3.39Å; R117-F119 HydrophobicContact CB-CB 4.18Å; R117-F119 PolarHBondContact O-N 3.11Å; F119-V121 HydrophobicContact CD1-CG1 3.69Å; F119-V121 HydrophobicContact CE1-CG1 3.99Å; F119-Y159 AromaticContact CE1-CE2 3.84Å; F119-Y159 HydrophobicContact CE1-CE2 3.84Å; F119-Y159 AromaticContact CE1-CZ 3.99Å
120	I	97.1	Very high	95.4	Very high	51 Å²	51	50 Å²	50	26%	0.262	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.9	-177.2	-57	-59.7	0	0	0	110.9	L111 A112 R113 Y174	L111-I120 HydrophobicContact CD1-CG2 3.46Å; L111-I120 VanDerWaalsContact CD1-CG2 3.46Å; L111-I120 HydrophobicContact CG-CG2 4.47Å; A112-I120 WeakPolarHBondContact O-CA 3.4Å; R113-I120 HydrophobicContact CB-CD1 3.79Å; R113-I120 HydrophobicContact CG-CD1 3.89Å; I120-Y174 HydrophobicContact CG2-CD1 3.67Å; I120-Y174 HydrophobicContact CG2-CE1 4.34Å; I120-Y174 HydrophobicContact CG2-CG 4.08Å
121	V	97.6	Very high	95.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	165.4	-179.4	-60.7	0	0	0	0	110.9	M39 F95 A112 F119 Y159 V171 L172	M39-V121 HydrophobicContact CE-CG1 3.63Å; F95-V121 HydrophobicContact CD1-CG2 4.09Å; F95-V121 HydrophobicContact CE1-CG2 3.98Å; A112-V121 HydrophobicContact CB-CG2 3.93Å; A112-V121 PolarHBondContact N-O 3.17Å; A112-V121 PolarHBondContact O-N 2.93Å; A112-V121 VanDerWaalsContact O-O 3.1Å; F119-V121 HydrophobicContact CD1-CG1 3.69Å; F119-V121 HydrophobicContact CE1-CG1 3.99Å; V121-Y159 HydrophobicContact CG1-CD2 4.15Å; V121-Y159 HydrophobicContact CG1-CE2 4.19Å; V121-V171 HydrophobicContact CB-CG1 4.07Å; V121-V171 HydrophobicContact CG1-CG1 3.93Å; V121-V171 HydrophobicContact CG2-CG1 4.09Å; V121-L172 WeakPolarHBondContact CA-O 3.39Å; V121-L172 WeakPolarHBondContact CB-O 3.45Å
122	A	97.4	Very high	94.9	Very high	8 Å²	8	50.7 Å²	50.7	7%	0.066	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.2	162.4	0	0	0	0	0	109.1	L101 V109 F110 L172 Y174	L101-A122 HydrophobicContact CD1-CB 3.97Å; V109-A122 HydrophobicContact CG1-CB 4.04Å; F110-A122 CarbonylContact O-C 3.19Å; F110-A122 WeakPolarHBondContact O-CA 3.34Å; A122-L172 HydrophobicContact CB-CB 4.24Å; A122-L172 PolarHBondContact N-O 2.81Å; A122-L172 WeakPolarHBondContact O-CB 3.16Å; A122-L172 PolarHBondContact O-N 2.88Å; A122-Y174 HydrophobicContact CB-CD2 4.49Å
123	L	96.8	Very high	94.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	104.5	178.3	-163.4	70	0	0	0	109.5	L92 L97 V109 F110 A112 V125 F162 Y169 L170 V171	L92-L123 HydrophobicContact CD1-CD2 3.88Å; L97-L123 HydrophobicContact CD2-CD2 3.68Å; V109-L123 WeakPolarHBondContact CA-O 3.26Å; F110-L123 PolarHBondContact N-O 2.8Å; F110-L123 PolarHBondContact O-N 2.97Å; A112-L123 HydrophobicContact CB-CB 4.08Å; L123-V125 HydrophobicContact CG-CG2 4.43Å; L123-F162 HydrophobicContact CD1-CE1 3.97Å; L123-F162 HydrophobicContact CD1-CZ 4.2Å; L123-Y169 HydrophobicContact CD1-CD1 4.44Å; L123-Y169 HydrophobicContact CD2-CD1 3.86Å; L123-Y169 HydrophobicContact CD2-CE1 4.36Å; L123-Y169 HydrophobicContact CG-CD1 4.11Å; L123-L170 WeakPolarHBondContact CA-O 3.41Å; L123-V171 HydrophobicContact CD1-CG2 3.83Å
124	K	95	Very high	94.1	Very high	31 Å²	31	57.4 Å²	57.4	14%	0.135	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	112.9	175.5	179	172.9	177.6	-172.4	0	108.5	V109 L126 E143 Y169 L170 L172	V109-K124 HydrophobicContact CG2-CB 4.09Å; V109-K124 HydrophobicContact CG2-CG 4.05Å; K124-L126 HydrophobicContact CG-CD2 4.07Å; K124-E143 IonicContact NZ-OE1 3.73Å; K124-E143 PolarHBondContact NZ-OE1 2.97Å; K124-E143 IonicContact NZ-OE2 2.97Å; K124-Y169 WeakPolarHBondContact O-CA 3.47Å; K124-L170 HydrophobicContact CB-CB 4.21Å; K124-L170 HydrophobicContact CD-CD1 4.24Å; K124-L170 PolarHBondContact N-O 3.42Å; K124-L170 PolarHBondContact O-N 2.92Å; K124-L172 HydrophobicContact CB-CD1 3.81Å; K124-L172 HydrophobicContact CD-CD1 4.16Å
125	V	95.6	Very high	93.8	Very high	10 Å²	10	63.7 Å²	63.7	6%	0.061	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120	-177.6	-172.9	0	0	0	0	108.8	G107 R108 F110 L123 R167 Y169	G107-V125 CarbonylContact C-O 3.53Å; G107-V125 VanDerWaalsContact CA-O 3.27Å; G107-V125 WeakPolarHBondContact CA-O 3.1Å; R108-V125 PolarHBondContact N-O 3.31Å; R108-V125 VanDerWaalsContact N-O 3.09Å; R108-V125 PolarHBondContact O-N 3.3Å; F110-V125 HydrophobicContact CD2-CG2 3.91Å; F110-V125 HydrophobicContact CE2-CG2 4.07Å; L123-V125 HydrophobicContact CG-CG2 4.43Å; V125-R167 HydrophobicContact CG1-CB 4.14Å; V125-R167 HydrophobicContact CG1-CG 4.06Å; V125-Y169 HydrophobicContact CB-CD1 4.46Å; V125-Y169 HydrophobicContact CG1-CD1 4.24Å; V125-Y169 HydrophobicContact CG1-CE1 3.93Å; V125-Y169 HydrophobicContact CG2-CD1 3.81Å; V125-Y169 HydrophobicContact CG2-CE1 3.88Å
126	L	94.3	Very high	93.4	Very high	6 Å²	6	61 Å²	61	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.3	177.7	-50.4	175.3	0	0	0	109.1	F106 K124 V131 V140 R167 V168 L170	F106-L126 HydrophobicContact CB-CD2 4.04Å; K124-L126 HydrophobicContact CG-CD2 4.07Å; L126-V131 HydrophobicContact CB-CG2 4.46Å; L126-V140 HydrophobicContact CD1-CG1 3.66Å; L126-V140 HydrophobicContact CD1-CG2 4.38Å; L126-R167 CarbonylContact O-C 3.54Å; L126-R167 VanDerWaalsContact O-CA 3.22Å; L126-R167 WeakPolarHBondContact O-CA 3.38Å; L126-V168 HydrophobicContact CB-CB 4.34Å; L126-V168 PolarHBondContact N-O 2.88Å; L126-V168 PolarHBondContact O-N 2.89Å; L126-L170 HydrophobicContact CD1-CD1 4.35Å
127	F	94.9	Very high	93.3	Very high	78 Å²	78	55.6 Å²	55.6	34%	0.342	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121.4	176.6	-64	-83.5	0	0	0	110.1	F106 S129 T130 V131 R167	F106-F127 WeakPolarHBondContact O-CD2 3.26Å; F106-F127 PolarHBondContact O-N 2.79Å; F127-S129 PolarHBondContact O-N 2.82Å; F127-T130 HydrophobicContact CB-CG2 3.99Å; F127-T130 PolarHBondContact O-N 3.16Å; F127-T130 VanDerWaalsContact O-N 3.11Å; F127-T130 PolarHBondContact O-OG1 2.99Å; F127-V131 WeakPolarHBondContact O-CG2 3.28Å; F127-V131 PolarHBondContact O-N 2.86Å; F127-V131 VanDerWaalsContact O-N 3.17Å; F127-R167 HydrophobicContact CD1-CG 4.01Å; F127-R167 HydrophobicContact CE1-CG 4.28Å
128	K	94.4	Very high	93	Very high	57 Å²	57	56.3 Å²	56.3	25%	0.248	29%	0.291	C	S	.	.	H	α-helix	trans	-56.9	-40.7	-178.3	-72	178.4	173.1	-178.3	0	111.8	T130 V131 I132 H163 D164 A166 V168	K128-T130 VanDerWaalsContact C-N 3.34Å; K128-T130 PolarHBondContact O-N 3.07Å; K128-V131 PolarHBondContact O-N 3.45Å; K128-I132 WeakPolarHBondContact O-CB 3.09Å; K128-I132 WeakPolarHBondContact O-CD1 3.48Å; K128-I132 VanDerWaalsContact O-CG1 3.22Å; K128-I132 WeakPolarHBondContact O-CG1 3.44Å; K128-I132 PolarHBondContact O-N 3.11Å; K128-H163 PolarHBondContact NZ-ND1 3.46Å; K128-D164 VanDerWaalsContact CE-O 3.27Å; K128-D164 WeakPolarHBondContact CE-O 3.19Å; K128-D164 PolarHBondContact NZ-O 2.98Å; K128-A166 WeakPolarHBondContact CB-O 3.33Å; K128-A166 PolarHBondContact N-O 3.5Å; K128-V168 HydrophobicContact CG-CG2 4.09Å
129	S	94.2	Very high	92.5	Very high	83 Å²	83	52.9 Å²	52.9	58%	0.58	28%	0.275	S	S	*	.	H	α-helix	trans	-60.6	-37.9	178.5	56.6	0	0	0	0	113.5	F127 K133	F127-S129 PolarHBondContact O-N 2.82Å; S129-K133 VanDerWaalsContact O-CB 3.24Å; S129-K133 WeakPolarHBondContact O-CB 3.45Å; S129-K133 PolarHBondContact O-N 3.36Å
130	T	91.5	Very high	92.2	Very high	57 Å²	57	51.8 Å²	51.8	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-77.1	-35.1	-179.7	62.5	0	0	0	0	111.7	F106 F127 K128 A134	F106-T130 PolarHBondContact O-OG1 2.81Å; F127-T130 HydrophobicContact CB-CG2 3.99Å; F127-T130 PolarHBondContact O-N 3.16Å; F127-T130 VanDerWaalsContact O-N 3.11Å; F127-T130 PolarHBondContact O-OG1 2.99Å; K128-T130 VanDerWaalsContact C-N 3.34Å; K128-T130 PolarHBondContact O-N 3.07Å; T130-A134 WeakPolarHBondContact O-CB 3.34Å; T130-A134 PolarHBondContact O-N 2.88Å
131	V	90.3	Very high	91.8	Very high	10 Å²	10	55.9 Å²	55.9	6%	0.061	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-47.8	174.6	178.6	0	0	0	0	110.7	F106 L126 F127 K128 A134 N135 M136 E137 V140	F106-V131 HydrophobicContact CB-CG2 3.85Å; F106-V131 HydrophobicContact CD1-CG2 4.06Å; F106-V131 HydrophobicContact CD2-CG2 4.36Å; F106-V131 HydrophobicContact CG-CG2 3.82Å; L126-V131 HydrophobicContact CB-CG2 4.46Å; F127-V131 WeakPolarHBondContact O-CG2 3.28Å; F127-V131 PolarHBondContact O-N 2.86Å; F127-V131 VanDerWaalsContact O-N 3.17Å; K128-V131 PolarHBondContact O-N 3.45Å; V131-A134 PolarHBondContact O-N 2.89Å; V131-N135 PolarHBondContact O-N 3.5Å; V131-M136 HydrophobicContact CG1-CB 4.48Å; V131-M136 PolarHBondContact O-N 3.27Å; V131-M136 VanDerWaalsContact O-N 3.16Å; V131-E137 HydrophobicContact CG1-CB 4.47Å; V131-E137 HydrophobicContact CG1-CG 4.09Å; V131-V140 HydrophobicContact CG1-CB 4.46Å; V131-V140 HydrophobicContact CG1-CG2 3.8Å; V131-V140 HydrophobicContact CG2-CG2 4.19Å
132	I	92.1	Very high	91.2	Very high	81 Å²	81	60.6 Å²	60.6	42%	0.415	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-46.8	178.5	-66.5	163.7	0	0	0	110.6	K128 A134 N135 E137	K128-I132 WeakPolarHBondContact O-CB 3.09Å; K128-I132 WeakPolarHBondContact O-CD1 3.48Å; K128-I132 VanDerWaalsContact O-CG1 3.22Å; K128-I132 WeakPolarHBondContact O-CG1 3.44Å; K128-I132 PolarHBondContact O-N 3.11Å; I132-A134 PolarHBondContact O-N 3.02Å; I132-A134 VanDerWaalsContact O-N 3.1Å; I132-N135 PolarHBondContact O-N 2.97Å; I132-N135 PolarHBondContact O-OD1 3.32Å; I132-E137 WeakPolarHBondContact CA-OE1 3.38Å; I132-E137 HydrophobicContact CG1-CG 4.07Å; I132-E137 WeakPolarHBondContact CG1-OE1 3.32Å
133	K	91.9	Very high	90.6	Very high	188 Å²	188	60.8 Å²	60.8	82%	0.817	30%	0.301	S	S	*	.	H	α-helix	trans	-58	-28.2	177.9	-175.6	176.8	179	-179.4	0	112.8	S129	S129-K133 VanDerWaalsContact O-CB 3.24Å; S129-K133 WeakPolarHBondContact O-CB 3.45Å; S129-K133 PolarHBondContact O-N 3.36Å
134	A	88.2	Confident	90.3	Very high	37 Å²	37	61.7 Å²	61.7	31%	0.306	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	0.2	178.6	0	0	0	0	0	114	F106 T130 V131 I132 M136	F106-A134 HydrophobicContact CE1-CB 3.82Å; F106-A134 HydrophobicContact CZ-CB 4.49Å; T130-A134 WeakPolarHBondContact O-CB 3.34Å; T130-A134 PolarHBondContact O-N 2.88Å; V131-A134 PolarHBondContact O-N 2.89Å; I132-A134 PolarHBondContact O-N 3.02Å; I132-A134 VanDerWaalsContact O-N 3.1Å; A134-M136 VanDerWaalsContact C-N 3.26Å; A134-M136 HydrophobicContact CB-CE 4.45Å; A134-M136 HydrophobicContact CB-CG 3.89Å; A134-M136 WeakPolarHBondContact O-CG 3.22Å; A134-M136 PolarHBondContact O-N 2.93Å
135	N	90.2	Very high	90	Very high	140 Å²	140	65.5 Å²	65.5	75%	0.749	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	39.9	-173.2	-63.6	-39.8	0	0	0	113.2	V131 I132 E137	V131-N135 PolarHBondContact O-N 3.5Å; I132-N135 PolarHBondContact O-N 2.97Å; I132-N135 PolarHBondContact O-OD1 3.32Å; N135-E137 VanDerWaalsContact CA-OE2 3.3Å; N135-E137 WeakPolarHBondContact CA-OE2 3.4Å
136	M	87.2	Confident	89.6	Confident	32 Å²	32	65.1 Å²	65.1	16%	0.158	32%	0.321	C	S	.	.			trans	-111.6	15.4	-174.9	-59.1	-148.1	-177.1	0	0	114.5	R105 F106 V131 A134 N138 Q139 V140	R105-M136 PolarHBondContact NH1-SD 3.02Å; R105-M136 VanDerWaalsContact NH1-SD 3.45Å; F106-M136 HydrophobicContact CE1-SD 4.44Å; F106-M136 HydrophobicContact CE2-CB 4.42Å; F106-M136 HydrophobicContact CE2-SD 4.29Å; F106-M136 HydrophobicContact CZ-CB 3.89Å; F106-M136 HydrophobicContact CZ-CG 3.97Å; F106-M136 HydrophobicContact CZ-SD 3.52Å; F106-M136 VanDerWaalsContact CZ-SD 3.52Å; V131-M136 HydrophobicContact CG1-CB 4.48Å; V131-M136 PolarHBondContact O-N 3.27Å; V131-M136 VanDerWaalsContact O-N 3.16Å; A134-M136 VanDerWaalsContact C-N 3.26Å; A134-M136 HydrophobicContact CB-CE 4.45Å; A134-M136 HydrophobicContact CB-CG 3.89Å; A134-M136 WeakPolarHBondContact O-CG 3.22Å; A134-M136 PolarHBondContact O-N 2.93Å; M136-N138 VanDerWaalsContact C-N 3.29Å; M136-N138 PolarHBondContact O-N 3.48Å; M136-Q139 HydrophobicContact CB-CB 4.39Å; M136-Q139 WeakPolarHBondContact O-CB 3.07Å; M136-Q139 PolarHBondContact O-N 3.15Å; M136-V140 PolarHBondContact O-N 2.97Å
137	E	90	Very high	89.5	Confident	65 Å²	65	65 Å²	65	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-57.7	-42.7	-179.6	-60.3	92.8	133.9	0	0	111.8	V131 I132 N135 Q139 V140 R141	V131-E137 HydrophobicContact CG1-CB 4.47Å; V131-E137 HydrophobicContact CG1-CG 4.09Å; I132-E137 WeakPolarHBondContact CA-OE1 3.38Å; I132-E137 HydrophobicContact CG1-CG 4.07Å; I132-E137 WeakPolarHBondContact CG1-OE1 3.32Å; N135-E137 VanDerWaalsContact CA-OE2 3.3Å; N135-E137 WeakPolarHBondContact CA-OE2 3.4Å; E137-Q139 VanDerWaalsContact C-N 3.29Å; E137-Q139 PolarHBondContact O-N 2.81Å; E137-V140 PolarHBondContact O-N 3.3Å; E137-R141 WeakPolarHBondContact O-CB 3.36Å; E137-R141 PolarHBondContact O-N 2.93Å
138	N	86.7	Confident	89.3	Confident	112 Å²	112	61.6 Å²	61.6	60%	0.599	31%	0.307	S	S	*	.	H	α-helix	trans	-66.6	-33.1	178.5	-70.4	-24.3	0	0	0	112.1	M136 R141 R142	M136-N138 VanDerWaalsContact C-N 3.29Å; M136-N138 PolarHBondContact O-N 3.48Å; N138-R141 PolarHBondContact OD1-NH1 2.98Å; N138-R142 VanDerWaalsContact O-CB 3.28Å; N138-R142 WeakPolarHBondContact O-CB 3.41Å; N138-R142 PolarHBondContact O-N 3.03Å
139	Q	83.9	Confident	89.2	Confident	29 Å²	29	64.2 Å²	64.2	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-71	-43.9	176.8	-174.3	162.6	-12.4	0	0	110.9	M136 E137 R142 E143 G238	M136-Q139 HydrophobicContact CB-CB 4.39Å; M136-Q139 WeakPolarHBondContact O-CB 3.07Å; M136-Q139 PolarHBondContact O-N 3.15Å; E137-Q139 VanDerWaalsContact C-N 3.29Å; E137-Q139 PolarHBondContact O-N 2.81Å; Q139-R142 PolarHBondContact O-N 2.74Å; Q139-E143 PolarHBondContact O-N 3.11Å; Q139-G238 VanDerWaalsContact CD-O 3.29Å; Q139-G238 WeakPolarHBondContact CG-O 3.25Å; Q139-G238 PolarHBondContact NE2-O 3.24Å
140	V	86.9	Confident	89.2	Confident	12 Å²	12	60.5 Å²	60.5	7%	0.073	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-44.7	174.8	173.6	0	0	0	0	111.4	L126 V131 M136 E137 R142 E143 I144	L126-V140 HydrophobicContact CD1-CG1 3.66Å; L126-V140 HydrophobicContact CD1-CG2 4.38Å; V131-V140 HydrophobicContact CG1-CB 4.46Å; V131-V140 HydrophobicContact CG1-CG2 3.8Å; V131-V140 HydrophobicContact CG2-CG2 4.19Å; M136-V140 PolarHBondContact O-N 2.97Å; E137-V140 PolarHBondContact O-N 3.3Å; V140-R142 VanDerWaalsContact C-N 3.3Å; V140-R142 PolarHBondContact O-N 2.86Å; V140-E143 PolarHBondContact O-N 2.88Å; V140-I144 HydrophobicContact CG1-CD1 4.07Å; V140-I144 WeakPolarHBondContact O-CG1 3.24Å; V140-I144 PolarHBondContact O-N 2.82Å; V140-I144 VanDerWaalsContact O-N 3.11Å
141	R	88.5	Confident	89.3	Confident	137 Å²	137	64.2 Å²	64.2	52%	0.517	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-42.9	176.9	-170.3	-177.8	-57.1	103.6	2.9	111.5	E137 N138 I144 E145	E137-R141 WeakPolarHBondContact O-CB 3.36Å; E137-R141 PolarHBondContact O-N 2.93Å; N138-R141 PolarHBondContact OD1-NH1 2.98Å; R141-I144 PolarHBondContact O-N 3.21Å; R141-E145 WeakPolarHBondContact O-CB 3.48Å; R141-E145 PolarHBondContact O-N 2.79Å
142	R	84.6	Confident	89.7	Confident	100 Å²	100	65.1 Å²	65.1	38%	0.377	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-42	177.8	-177	179.2	-65.7	173.4	-1.6	112.3	N138 Q139 V140 I144 E145 I146	N138-R142 VanDerWaalsContact O-CB 3.28Å; N138-R142 WeakPolarHBondContact O-CB 3.41Å; N138-R142 PolarHBondContact O-N 3.03Å; Q139-R142 PolarHBondContact O-N 2.74Å; V140-R142 VanDerWaalsContact C-N 3.3Å; V140-R142 PolarHBondContact O-N 2.86Å; R142-I144 VanDerWaalsContact C-N 3.34Å; R142-I144 PolarHBondContact O-N 2.94Å; R142-E145 PolarHBondContact O-N 3.21Å; R142-I146 HydrophobicContact CG-CD1 3.65Å; R142-I146 HydrophobicContact CG-CG1 4.25Å; R142-I146 WeakPolarHBondContact O-CB 2.98Å; R142-I146 VanDerWaalsContact O-CG1 3.31Å; R142-I146 WeakPolarHBondContact O-CG1 3.3Å; R142-I146 PolarHBondContact O-N 3.12Å
143	E	86.3	Confident	89.9	Confident	12 Å²	12	65.4 Å²	65.4	6%	0.056	32%	0.315	C	S	.	.	H	α-helix	trans	-55.9	-49.9	174.2	-179.9	-175.3	165.8	0	0	110.5	K124 Q139 V140 Q147 F237	K124-E143 IonicContact NZ-OE1 3.73Å; K124-E143 PolarHBondContact NZ-OE1 2.97Å; K124-E143 IonicContact NZ-OE2 2.97Å; Q139-E143 PolarHBondContact O-N 3.11Å; V140-E143 PolarHBondContact O-N 2.88Å; E143-Q147 VanDerWaalsContact O-CB 3.25Å; E143-Q147 WeakPolarHBondContact O-CB 3.45Å; E143-Q147 PolarHBondContact O-N 3.33Å; E143-F237 HydrophobicContact CG-CB 4.26Å
144	I	89.8	Confident	90.2	Very high	18 Å²	18	57 Å²	57	9%	0.092	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-48.7	178.9	-64.7	169.5	0	0	0	110.9	V140 R141 R142 A148 L158 Y161 V168 L170	V140-I144 HydrophobicContact CG1-CD1 4.07Å; V140-I144 WeakPolarHBondContact O-CG1 3.24Å; V140-I144 PolarHBondContact O-N 2.82Å; V140-I144 VanDerWaalsContact O-N 3.11Å; R141-I144 PolarHBondContact O-N 3.21Å; R142-I144 VanDerWaalsContact C-N 3.34Å; R142-I144 PolarHBondContact O-N 2.94Å; I144-A148 WeakPolarHBondContact O-CB 3.46Å; I144-A148 PolarHBondContact O-N 3.39Å; I144-L158 HydrophobicContact CG2-CD2 4.21Å; I144-Y161 HydrophobicContact CG2-CD1 3.41Å; I144-Y161 VanDerWaalsContact CG2-CD1 3.41Å; I144-Y161 HydrophobicContact CG2-CE1 3.58Å; I144-Y161 HydrophobicContact CG2-CG 3.99Å; I144-V168 HydrophobicContact CD1-CG1 4.29Å; I144-L170 HydrophobicContact CD1-CD2 3.66Å; I144-L170 HydrophobicContact CG1-CD1 4.34Å; I144-L170 HydrophobicContact CG1-CD2 3.64Å
145	E	89.4	Confident	90.7	Very high	112 Å²	112	55.5 Å²	55.5	52%	0.523	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-46	-178.3	-175.9	-178.7	-177.4	0	0	112.3	R141 R142 H149	R141-E145 WeakPolarHBondContact O-CB 3.48Å; R141-E145 PolarHBondContact O-N 2.79Å; R142-E145 PolarHBondContact O-N 3.21Å; E145-H149 PolarHBondContact O-ND1 2.76Å
146	I	87.6	Confident	91	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-60.1	176.1	-72.6	170.6	0	0	0	109	R142 A148 H149 L150 V214 F237 A240 H242	R142-I146 HydrophobicContact CG-CD1 3.65Å; R142-I146 HydrophobicContact CG-CG1 4.25Å; R142-I146 WeakPolarHBondContact O-CB 2.98Å; R142-I146 VanDerWaalsContact O-CG1 3.31Å; R142-I146 WeakPolarHBondContact O-CG1 3.3Å; R142-I146 PolarHBondContact O-N 3.12Å; I146-A148 VanDerWaalsContact C-N 3.27Å; I146-A148 PolarHBondContact O-N 3.41Å; I146-H149 PolarHBondContact O-N 3.21Å; I146-L150 HydrophobicContact CG2-CD1 3.98Å; I146-L150 HydrophobicContact CG2-CG 4.34Å; I146-L150 WeakPolarHBondContact O-CG 3.29Å; I146-L150 PolarHBondContact O-N 2.88Å; I146-V214 HydrophobicContact CG2-CG1 3.87Å; I146-V214 HydrophobicContact CG2-CG2 4.08Å; I146-F237 HydrophobicContact CG2-CD1 4.38Å; I146-A240 HydrophobicContact CD1-CB 3.92Å; I146-H242 WeakPolarHBondContact CG1-CE1 3.25Å; I146-H242 WeakPolarHBondContact CG1-ND1 3.05Å
147	Q	91.4	Very high	91.4	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.019	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-30.8	-168.7	-164.7	178	0.7	0	0	112.7	E143 H149 L150 L156 L158 F237	E143-Q147 VanDerWaalsContact O-CB 3.25Å; E143-Q147 WeakPolarHBondContact O-CB 3.45Å; E143-Q147 PolarHBondContact O-N 3.33Å; Q147-H149 PolarHBondContact O-N 2.7Å; Q147-L150 PolarHBondContact O-N 2.82Å; Q147-L156 PolarHBondContact NE2-O 3.46Å; Q147-L158 HydrophobicContact CB-CB 4.23Å; Q147-L158 HydrophobicContact CB-CD2 4.22Å; Q147-L158 HydrophobicContact CG-CB 3.79Å; Q147-F237 HydrophobicContact CB-CD2 4.16Å; Q147-F237 HydrophobicContact CG-CD2 3.75Å; Q147-F237 HydrophobicContact CG-CE2 4.1Å
148	A	90.8	Very high	91.7	Very high	6 Å²	6	47 Å²	47	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-56.5	-33.5	173.2	0	0	0	0	0	114	L35 I144 I146 L158	L35-A148 HydrophobicContact CD1-CB 3.33Å; L35-A148 HydrophobicContact CD2-CB 4.38Å; L35-A148 HydrophobicContact CG-CB 4.47Å; I144-A148 WeakPolarHBondContact O-CB 3.46Å; I144-A148 PolarHBondContact O-N 3.39Å; I146-A148 VanDerWaalsContact C-N 3.27Å; I146-A148 PolarHBondContact O-N 3.41Å; A148-L158 HydrophobicContact CB-CD2 4.31Å
149	H	91.3	Very high	92	Very high	112 Å²	112	42.6 Å²	42.6	52%	0.519	19%	0.194	S	C	.	.	H	α-helix	trans	-92	-8.5	-177.7	-66.3	98.3	0	0	0	113.2	E145 I146 Q147	E145-H149 PolarHBondContact O-ND1 2.76Å; I146-H149 PolarHBondContact O-N 3.21Å; Q147-H149 PolarHBondContact O-N 2.7Å
150	L	94	Very high	92.5	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	19%	0.19	C	C	.	.			trans	-80.9	124.3	179.7	-55.6	-179.8	0	0	0	110.9	I146 Q147 I155 R157 Y208 L209 F237	I146-L150 HydrophobicContact CG2-CD1 3.98Å; I146-L150 HydrophobicContact CG2-CG 4.34Å; I146-L150 WeakPolarHBondContact O-CG 3.29Å; I146-L150 PolarHBondContact O-N 2.88Å; Q147-L150 PolarHBondContact O-N 2.82Å; L150-I155 HydrophobicContact CB-CG2 4.11Å; L150-I155 HydrophobicContact CD1-CD1 4.44Å; L150-I155 HydrophobicContact CD1-CG2 4.11Å; L150-R157 PolarHBondContact O-NH1 3.39Å; L150-Y208 HydrophobicContact CB-CE1 4.26Å; L150-Y208 HydrophobicContact CD2-CE1 3.86Å; L150-L209 HydrophobicContact CD1-CD2 3.58Å; L150-L209 HydrophobicContact CD2-CD2 3.85Å; L150-L209 HydrophobicContact CG-CD2 4.34Å; L150-F237 HydrophobicContact CD1-CD1 3.91Å; L150-F237 HydrophobicContact CD1-CD2 4.42Å; L150-F237 HydrophobicContact CD1-CE1 3.5Å; L150-F237 HydrophobicContact CD1-CE2 4.07Å; L150-F237 HydrophobicContact CD1-CG 4.36Å; L150-F237 HydrophobicContact CD1-CZ 3.6Å
151	K	95.1	Very high	92.8	Very high	135 Å²	135	45.6 Å²	45.6	59%	0.587	21%	0.206	S	C	*	.			trans	-132.7	92.6	177.3	-39.8	-155.4	170.7	167.2	0	108.6	R157 Y208	K151-R157 VanDerWaalsContact CB-NH1 3.29Å; K151-Y208 PolarHBondContact N-OH 2.86Å; K151-Y208 PolarHBondContact O-OH 3.12Å
152	H	97.4	Very high	93.1	Very high	29 Å²	29	39.6 Å²	39.6	13%	0.134	18%	0.183	C	C	.	.			trans	-147.4	140.2	-179.8	-165.9	-95	0	0	0	109.9	N154 I155 D204 Y208	H152-N154 PolarHBondContact ND1-N 3.5Å; H152-N154 VanDerWaalsContact ND1-N 3.1Å; H152-N154 PolarHBondContact O-N 2.73Å; H152-I155 HydrophobicContact CB-CB 3.99Å; H152-I155 HydrophobicContact CB-CD1 3.68Å; H152-I155 HydrophobicContact CB-CG1 3.85Å; H152-I155 PolarHBondContact O-N 3.02Å; H152-D204 IonicContact CE1-OD2 3.04Å; H152-D204 PolarHBondContact CE1-OD2 3.11Å; H152-D204 IonicContact NE2-OD2 3.14Å; H152-D204 PolarHBondContact NE2-OD2 3.22Å; H152-D204 VanDerWaalsContact NE2-OD2 3.16Å; H152-Y208 HydrophobicContact CB-CD1 3.97Å; H152-Y208 HydrophobicContact CB-CE1 4.15Å; H152-Y208 HydrophobicContact CB-CG 4.17Å; H152-Y208 AromaticContact CD2-CD2 3.85Å; H152-Y208 AromaticContact CD2-CG 3.67Å
153	P	97.1	Very high	93.6	Very high	86 Å²	86	40.8 Å²	40.8	56%	0.558	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.3	178.8	22.6	-34.4	0	0	0	112.7	K233	P153-K233 WeakPolarHBondContact O-CD 3.33Å; P153-K233 WeakPolarHBondContact O-CE 3.41Å; P153-K233 PolarHBondContact O-NZ 3.37Å
154	N	98.1	Very high	94	Very high	13 Å²	13	42.4 Å²	42.4	7%	0.07	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	16	-179.2	-61.2	111.1	0	0	0	115.6	H152 Q201 A205 I232 I234	H152-N154 PolarHBondContact ND1-N 3.5Å; H152-N154 VanDerWaalsContact ND1-N 3.1Å; H152-N154 PolarHBondContact O-N 2.73Å; N154-Q201 PolarHBondContact ND2-OE1 2.97Å; N154-A205 HydrophobicContact CB-CB 3.88Å; N154-I232 WeakPolarHBondContact CA-O 3.42Å; N154-I232 HydrophobicContact CB-CG2 4.49Å; N154-I232 PolarHBondContact ND2-O 2.73Å; N154-I234 PolarHBondContact O-N 3.09Å
155	I	97.7	Very high	94.2	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-118.7	133.2	172.4	-66	173.2	0	0	0	108.9	L150 H152 R157 A205 Y208 L209 F237	L150-I155 HydrophobicContact CB-CG2 4.11Å; L150-I155 HydrophobicContact CD1-CD1 4.44Å; L150-I155 HydrophobicContact CD1-CG2 4.11Å; H152-I155 HydrophobicContact CB-CB 3.99Å; H152-I155 HydrophobicContact CB-CD1 3.68Å; H152-I155 HydrophobicContact CB-CG1 3.85Å; H152-I155 PolarHBondContact O-N 3.02Å; I155-R157 PolarHBondContact O-N 3.12Å; I155-A205 HydrophobicContact CG1-CB 4.03Å; I155-Y208 HydrophobicContact CD1-CD1 3.55Å; I155-Y208 HydrophobicContact CD1-CE1 3.99Å; I155-L209 HydrophobicContact CD1-CD2 3.69Å; I155-L209 HydrophobicContact CD1-CG 3.9Å; I155-F237 HydrophobicContact CG2-CE2 3.71Å; I155-F237 HydrophobicContact CG2-CZ 3.51Å
156	L	97	Very high	94.5	Very high	9 Å²	9	46.7 Å²	46.7	5%	0.047	24%	0.236	C	C	.	.			trans	-63.3	118.5	178.6	-164.6	78.5	0	0	0	110.2	Q147 L172 E173 A175 L225 K233 I234	Q147-L156 PolarHBondContact NE2-O 3.46Å; L156-L172 HydrophobicContact CD2-CB 4.38Å; L156-L172 HydrophobicContact CD2-CD1 4.45Å; L156-E173 HydrophobicContact CD1-CB 3.94Å; L156-E173 HydrophobicContact CD1-CG 4.2Å; L156-E173 WeakPolarHBondContact CD1-O 3.31Å; L156-E173 HydrophobicContact CG-CB 4.22Å; L156-A175 HydrophobicContact CD1-CB 4.11Å; L156-L225 HydrophobicContact CD1-CD1 4.2Å; L156-L225 HydrophobicContact CD2-CD1 4.05Å; L156-K233 HydrophobicContact CB-CB 4.36Å; L156-K233 HydrophobicContact CD1-CB 3.96Å; L156-K233 HydrophobicContact CD1-CG 4.34Å; L156-I234 WeakPolarHBondContact CB-O 3.37Å; L156-I234 PolarHBondContact N-O 3.35Å
157	R	96	Very high	94.8	Very high	46 Å²	46	50.3 Å²	50.3	17%	0.174	25%	0.25	C	C	.	.			trans	-72.1	132.2	-175.3	-177.4	56.7	164.3	-127.9	-15.2	112.2	S38 L150 K151 I155 Y159 L172 E173	S38-R157 PolarHBondContact OG-NH2 2.89Å; L150-R157 PolarHBondContact O-NH1 3.39Å; K151-R157 VanDerWaalsContact CB-NH1 3.29Å; I155-R157 PolarHBondContact O-N 3.12Å; R157-Y159 HydrophobicContact CB-CE1 4.18Å; R157-Y159 HydrophobicContact CG-CD1 3.66Å; R157-Y159 HydrophobicContact CG-CE1 3.57Å; R157-Y159 HydrophobicContact CG-CG 4.43Å; R157-L172 CarbonylContact O-C 3.36Å; R157-L172 WeakPolarHBondContact O-CA 3.41Å; R157-E173 HydrophobicContact CB-CB 4.02Å; R157-E173 PolarHBondContact N-OE2 2.84Å; R157-E173 PolarHBondContact O-N 2.9Å
158	L	95.4	Very high	95	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.8	158.9	178.9	64.2	0	0	0	108.8	I144 Q147 A148 G160 L170 L172	I144-L158 HydrophobicContact CG2-CD2 4.21Å; Q147-L158 HydrophobicContact CB-CB 4.23Å; Q147-L158 HydrophobicContact CB-CD2 4.22Å; Q147-L158 HydrophobicContact CG-CB 3.79Å; A148-L158 HydrophobicContact CB-CD2 4.31Å; L158-G160 VanDerWaalsContact CD1-O 3.24Å; L158-G160 WeakPolarHBondContact CD1-O 3.3Å; L158-L170 HydrophobicContact CD1-CB 3.88Å; L158-L172 HydrophobicContact CB-CD2 4.14Å; L158-L172 HydrophobicContact CD1-CD2 3.62Å; L158-L172 HydrophobicContact CG-CD2 4.49Å
159	Y	94	Very high	95.2	Very high	19 Å²	19	51.3 Å²	51.3	8%	0.075	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-30.1	177.7	-64.1	-56.1	0	0	0	112.4	S38 M39 F119 V121 R157 V171 E173	S38-Y159 WeakPolarHBondContact O-CD1 3.43Å; M39-Y159 HydrophobicContact CG-CD1 4.27Å; M39-Y159 HydrophobicContact CG-CD2 4.38Å; M39-Y159 HydrophobicContact CG-CG 4.04Å; F119-Y159 AromaticContact CE1-CE2 3.84Å; F119-Y159 HydrophobicContact CE1-CE2 3.84Å; F119-Y159 AromaticContact CE1-CZ 3.99Å; V121-Y159 HydrophobicContact CG1-CD2 4.15Å; V121-Y159 HydrophobicContact CG1-CE2 4.19Å; R157-Y159 HydrophobicContact CB-CE1 4.18Å; R157-Y159 HydrophobicContact CG-CD1 3.66Å; R157-Y159 HydrophobicContact CG-CE1 3.57Å; R157-Y159 HydrophobicContact CG-CG 4.43Å; Y159-V171 WeakPolarHBondContact CB-O 2.95Å; Y159-V171 HydrophobicContact CD2-CG1 4.29Å; Y159-V171 PolarHBondContact N-O 3.19Å; Y159-E173 HydrophobicContact CE2-CB 4.16Å
160	G	93.2	Very high	95.4	Very high	5 Å²	5	46 Å²	46	5%	0.052	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-175.3	178.3	0	0	0	0	0	111.3	L158 V171	L158-G160 VanDerWaalsContact CD1-O 3.24Å; L158-G160 WeakPolarHBondContact CD1-O 3.3Å; G160-V171 PolarHBondContact O-N 3.37Å
161	Y	94.3	Very high	95.4	Very high	100 Å²	100	45.7 Å²	45.7	39%	0.392	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	159.3	178.5	66.1	-86.7	0	0	0	110.5	I144 Y169	I144-Y161 HydrophobicContact CG2-CD1 3.41Å; I144-Y161 VanDerWaalsContact CG2-CD1 3.41Å; I144-Y161 HydrophobicContact CG2-CE1 3.58Å; I144-Y161 HydrophobicContact CG2-CG 3.99Å; Y161-Y169 CarbonylContact C-O 3.52Å; Y161-Y169 WeakPolarHBondContact CA-O 3.26Å; Y161-Y169 VanDerWaalsContact CB-O 3.26Å; Y161-Y169 WeakPolarHBondContact CB-O 3.27Å
162	F	95.1	Very high	95.5	Very high	10 Å²	10	39.9 Å²	39.9	4%	0.044	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	172.4	171.4	61.6	-84.6	0	0	0	109.8	W90 S91 L92 F95 L123 Y169 V171	W90-F162 HydrophobicContact CB-CB 4.23Å; W90-F162 HydrophobicContact CB-CD1 3.61Å; W90-F162 HydrophobicContact CB-CE1 4.1Å; W90-F162 HydrophobicContact CB-CG 3.98Å; W90-F162 WeakPolarHBondContact O-CB 3.4Å; W90-F162 WeakPolarHBondContact O-CG 3.36Å; S91-F162 VanDerWaalsContact C-CE2 3.48Å; L92-F162 HydrophobicContact CB-CE2 4.45Å; F95-F162 HydrophobicContact CD2-CE1 4.28Å; F95-F162 HydrophobicContact CD2-CZ 4.16Å; F95-F162 AromaticContact CE2-CE1 3.62Å; F95-F162 HydrophobicContact CE2-CE1 3.62Å; F95-F162 AromaticContact CE2-CZ 3.94Å; F95-F162 HydrophobicContact CE2-CZ 3.94Å; F95-F162 HydrophobicContact CZ-CE1 4.24Å; L123-F162 HydrophobicContact CD1-CE1 3.97Å; L123-F162 HydrophobicContact CD1-CZ 4.2Å; F162-Y169 AromaticContact CD2-CD2 3.52Å; F162-Y169 HydrophobicContact CD2-CD2 3.52Å; F162-Y169 HydrophobicContact CD2-CE2 4.22Å; F162-Y169 AromaticContact CD2-CG 3.85Å; F162-Y169 HydrophobicContact CD2-CG 3.85Å; F162-Y169 VanDerWaalsContact CE1-CB 3.49Å; F162-Y169 HydrophobicContact CE1-CG 4.1Å; F162-Y169 AromaticContact CE2-CD1 3.9Å; F162-Y169 HydrophobicContact CE2-CD1 3.9Å; F162-Y169 AromaticContact CE2-CD2 3.29Å; F162-Y169 HydrophobicContact CE2-CD2 3.29Å; F162-Y169 HydrophobicContact CE2-CE1 4.33Å; F162-Y169 AromaticContact CE2-CE2 3.8Å; F162-Y169 HydrophobicContact CE2-CE2 3.8Å; F162-Y169 AromaticContact CE2-CG 3.32Å; F162-Y169 HydrophobicContact CE2-CG 3.32Å; F162-Y169 HydrophobicContact CG-CD2 4.35Å; F162-Y169 HydrophobicContact CG-CG 4.43Å; F162-Y169 VanDerWaalsContact CZ-CB 3.41Å; F162-Y169 AromaticContact CZ-CD1 3.8Å; F162-Y169 HydrophobicContact CZ-CD1 3.8Å; F162-Y169 AromaticContact CZ-CD2 3.97Å; F162-Y169 HydrophobicContact CZ-CD2 3.97Å; F162-Y169 HydrophobicContact CZ-CE1 4.49Å; F162-Y169 AromaticContact CZ-CG 3.47Å; F162-Y169 HydrophobicContact CZ-CG 3.47Å; F162-Y169 VanDerWaalsContact CZ-CG 3.47Å; F162-Y169 PolarHBondContact N-O 2.92Å; F162-Y169 PolarHBondContact O-N 3.41Å; F162-V171 HydrophobicContact CD1-CG2 4.1Å; F162-V171 HydrophobicContact CE1-CG2 3.82Å
163	H	94.4	Very high	95.4	Very high	125 Å²	125	40.1 Å²	40.1	58%	0.579	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-147	152.8	177.7	68.9	74.3	0	0	0	111.4	K128 R167 V168	K128-H163 PolarHBondContact NZ-ND1 3.46Å; H163-R167 VanDerWaalsContact CA-O 3.25Å; H163-R167 WeakPolarHBondContact CA-O 3.4Å; H163-R167 VanDerWaalsContact CB-O 3.26Å; H163-R167 WeakPolarHBondContact CB-O 3.26Å; H163-V168 HydrophobicContact CB-CG2 4.23Å
164	D	94.7	Very high	95.4	Very high	47 Å²	47	38.6 Å²	38.6	25%	0.251	19%	0.189	S	C	.	.			trans	-111.8	-167.4	164.5	66.8	22.8	0	0	0	109.1	K128 A166 R167 Y169	K128-D164 VanDerWaalsContact CE-O 3.27Å; K128-D164 WeakPolarHBondContact CE-O 3.19Å; K128-D164 PolarHBondContact NZ-O 2.98Å; D164-A166 PolarHBondContact O-N 3.44Å; D164-A166 WeakPolarHBondContact OD1-CA 3.41Å; D164-A166 PolarHBondContact OD1-N 3.2Å; D164-R167 PolarHBondContact N-O 2.91Å; D164-R167 WeakPolarHBondContact OD1-CA 3.33Å; D164-R167 WeakPolarHBondContact OD1-CB 3.43Å; D164-R167 PolarHBondContact OD1-N 3Å; D164-R167 IonicContact OD1-NE 3.78Å; D164-R167 IonicContact OD2-CZ 2.82Å; D164-R167 VanDerWaalsContact OD2-CZ 3.27Å; D164-R167 IonicContact OD2-NE 3.69Å; D164-R167 PolarHBondContact OD2-NE 2.88Å; D164-R167 IonicContact OD2-NH2 3.86Å; D164-R167 PolarHBondContact OD2-NH2 2.92Å; D164-Y169 HydrophobicContact CB-CE2 4.46Å; D164-Y169 PolarHBondContact OD2-OH 3.01Å
165	D	93.6	Very high	95.4	Very high	166 Å²	166	38.5 Å²	38.5	89%	0.888	19%	0.19	S	C	*	.	S	Bend	trans	-63.9	-25.9	-179.6	-66.1	-28.3	0	0	0	113.5
166	A	95.3	Very high	95.3	Very high	54 Å²	54	40.1 Å²	40.1	45%	0.446	20%	0.204	S	C	.	.	S	Bend	trans	-111.9	-22.7	-171.2	0	0	0	0	0	114.4	K128 D164	K128-A166 WeakPolarHBondContact CB-O 3.33Å; K128-A166 PolarHBondContact N-O 3.5Å; D164-A166 PolarHBondContact O-N 3.44Å; D164-A166 WeakPolarHBondContact OD1-CA 3.41Å; D164-A166 PolarHBondContact OD1-N 3.2Å
167	R	95.5	Very high	95.2	Very high	78 Å²	78	45.5 Å²	45.5	29%	0.294	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	150.1	-163.8	-64.3	169	-70.1	-171.8	5.1	112.1	V125 L126 F127 H163 D164 Y169	V125-R167 HydrophobicContact CG1-CB 4.14Å; V125-R167 HydrophobicContact CG1-CG 4.06Å; L126-R167 CarbonylContact O-C 3.54Å; L126-R167 VanDerWaalsContact O-CA 3.22Å; L126-R167 WeakPolarHBondContact O-CA 3.38Å; F127-R167 HydrophobicContact CD1-CG 4.01Å; F127-R167 HydrophobicContact CE1-CG 4.28Å; H163-R167 VanDerWaalsContact CA-O 3.25Å; H163-R167 WeakPolarHBondContact CA-O 3.4Å; H163-R167 VanDerWaalsContact CB-O 3.26Å; H163-R167 WeakPolarHBondContact CB-O 3.26Å; D164-R167 PolarHBondContact N-O 2.91Å; D164-R167 WeakPolarHBondContact OD1-CA 3.33Å; D164-R167 WeakPolarHBondContact OD1-CB 3.43Å; D164-R167 PolarHBondContact OD1-N 3Å; D164-R167 IonicContact OD1-NE 3.78Å; D164-R167 IonicContact OD2-CZ 2.82Å; D164-R167 VanDerWaalsContact OD2-CZ 3.27Å; D164-R167 IonicContact OD2-NE 3.69Å; D164-R167 PolarHBondContact OD2-NE 2.88Å; D164-R167 IonicContact OD2-NH2 3.86Å; D164-R167 PolarHBondContact OD2-NH2 2.92Å; R167-Y169 HydrophobicContact CB-CD2 4.33Å; R167-Y169 HydrophobicContact CB-CE2 3.66Å; R167-Y169 PolarHBondContact NE-OH 2.68Å; R167-Y169 PolarHBondContact NH1-OH 3.14Å; R167-Y169 PolarHBondContact NH2-OH 3.39Å
168	V	94.3	Very high	95.2	Very high	28 Å²	28	44.9 Å²	44.9	17%	0.17	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.5	164.9	179.6	0	0	0	0	107.9	L126 K128 I144 H163 L170	L126-V168 HydrophobicContact CB-CB 4.34Å; L126-V168 PolarHBondContact N-O 2.88Å; L126-V168 PolarHBondContact O-N 2.89Å; K128-V168 HydrophobicContact CG-CG2 4.09Å; I144-V168 HydrophobicContact CD1-CG1 4.29Å; H163-V168 HydrophobicContact CB-CG2 4.23Å; V168-L170 HydrophobicContact CG1-CD2 4.11Å
169	Y	95.3	Very high	95.2	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.008	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.5	-176.6	-62.3	-94.6	0	0	0	109.8	L92 L123 K124 V125 Y161 F162 D164 R167	L92-Y169 HydrophobicContact CD1-CD1 4.32Å; L92-Y169 HydrophobicContact CD1-CE1 3.68Å; L123-Y169 HydrophobicContact CD1-CD1 4.44Å; L123-Y169 HydrophobicContact CD2-CD1 3.86Å; L123-Y169 HydrophobicContact CD2-CE1 4.36Å; L123-Y169 HydrophobicContact CG-CD1 4.11Å; K124-Y169 WeakPolarHBondContact O-CA 3.47Å; V125-Y169 HydrophobicContact CB-CD1 4.46Å; V125-Y169 HydrophobicContact CG1-CD1 4.24Å; V125-Y169 HydrophobicContact CG1-CE1 3.93Å; V125-Y169 HydrophobicContact CG2-CD1 3.81Å; V125-Y169 HydrophobicContact CG2-CE1 3.88Å; Y161-Y169 CarbonylContact C-O 3.52Å; Y161-Y169 WeakPolarHBondContact CA-O 3.26Å; Y161-Y169 VanDerWaalsContact CB-O 3.26Å; Y161-Y169 WeakPolarHBondContact CB-O 3.27Å; F162-Y169 AromaticContact CD2-CD2 3.52Å; F162-Y169 HydrophobicContact CD2-CD2 3.52Å; F162-Y169 HydrophobicContact CD2-CE2 4.22Å; F162-Y169 AromaticContact CD2-CG 3.85Å; F162-Y169 HydrophobicContact CD2-CG 3.85Å; F162-Y169 VanDerWaalsContact CE1-CB 3.49Å; F162-Y169 HydrophobicContact CE1-CG 4.1Å; F162-Y169 AromaticContact CE2-CD1 3.9Å; F162-Y169 HydrophobicContact CE2-CD1 3.9Å; F162-Y169 AromaticContact CE2-CD2 3.29Å; F162-Y169 HydrophobicContact CE2-CD2 3.29Å; F162-Y169 HydrophobicContact CE2-CE1 4.33Å; F162-Y169 AromaticContact CE2-CE2 3.8Å; F162-Y169 HydrophobicContact CE2-CE2 3.8Å; F162-Y169 AromaticContact CE2-CG 3.32Å; F162-Y169 HydrophobicContact CE2-CG 3.32Å; F162-Y169 HydrophobicContact CG-CD2 4.35Å; F162-Y169 HydrophobicContact CG-CG 4.43Å; F162-Y169 VanDerWaalsContact CZ-CB 3.41Å; F162-Y169 AromaticContact CZ-CD1 3.8Å; F162-Y169 HydrophobicContact CZ-CD1 3.8Å; F162-Y169 AromaticContact CZ-CD2 3.97Å; F162-Y169 HydrophobicContact CZ-CD2 3.97Å; F162-Y169 HydrophobicContact CZ-CE1 4.49Å; F162-Y169 AromaticContact CZ-CG 3.47Å; F162-Y169 HydrophobicContact CZ-CG 3.47Å; F162-Y169 VanDerWaalsContact CZ-CG 3.47Å; F162-Y169 PolarHBondContact N-O 2.92Å; F162-Y169 PolarHBondContact O-N 3.41Å; D164-Y169 HydrophobicContact CB-CE2 4.46Å; D164-Y169 PolarHBondContact OD2-OH 3.01Å; R167-Y169 HydrophobicContact CB-CD2 4.33Å; R167-Y169 HydrophobicContact CB-CE2 3.66Å; R167-Y169 PolarHBondContact NE-OH 2.68Å; R167-Y169 PolarHBondContact NH1-OH 3.14Å; R167-Y169 PolarHBondContact NH2-OH 3.39Å
170	L	94.7	Very high	95.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.7	172.9	-46.5	-175.3	0	0	0	108.8	L123 K124 L126 I144 L158 V168 L172	L123-L170 WeakPolarHBondContact CA-O 3.41Å; K124-L170 HydrophobicContact CB-CB 4.21Å; K124-L170 HydrophobicContact CD-CD1 4.24Å; K124-L170 PolarHBondContact N-O 3.42Å; K124-L170 PolarHBondContact O-N 2.92Å; L126-L170 HydrophobicContact CD1-CD1 4.35Å; I144-L170 HydrophobicContact CD1-CD2 3.66Å; I144-L170 HydrophobicContact CG1-CD1 4.34Å; I144-L170 HydrophobicContact CG1-CD2 3.64Å; L158-L170 HydrophobicContact CD1-CB 3.88Å; V168-L170 HydrophobicContact CG1-CD2 4.11Å; L170-L172 HydrophobicContact CB-CD2 4.44Å; L170-L172 HydrophobicContact CB-CG 4.3Å
171	V	96	Very high	95.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	103.1	178.7	-173.3	0	0	0	0	107.9	W90 F95 V121 L123 Y159 G160 F162	W90-V171 HydrophobicContact CD2-CG2 4.48Å; W90-V171 HydrophobicContact CE3-CB 4.32Å; W90-V171 HydrophobicContact CE3-CG2 3.67Å; W90-V171 HydrophobicContact CH2-CB 4.38Å; W90-V171 HydrophobicContact CH2-CG1 4.1Å; W90-V171 HydrophobicContact CZ3-CB 3.79Å; W90-V171 HydrophobicContact CZ3-CG1 4Å; W90-V171 HydrophobicContact CZ3-CG2 3.67Å; F95-V171 HydrophobicContact CE1-CG1 4.12Å; F95-V171 HydrophobicContact CE1-CG2 4.38Å; F95-V171 HydrophobicContact CZ-CG1 4.25Å; F95-V171 HydrophobicContact CZ-CG2 3.82Å; V121-V171 HydrophobicContact CB-CG1 4.07Å; V121-V171 HydrophobicContact CG1-CG1 3.93Å; V121-V171 HydrophobicContact CG2-CG1 4.09Å; L123-V171 HydrophobicContact CD1-CG2 3.83Å; Y159-V171 WeakPolarHBondContact CB-O 2.95Å; Y159-V171 HydrophobicContact CD2-CG1 4.29Å; Y159-V171 PolarHBondContact N-O 3.19Å; G160-V171 PolarHBondContact O-N 3.37Å; F162-V171 HydrophobicContact CD1-CG2 4.1Å; F162-V171 HydrophobicContact CE1-CG2 3.82Å
172	L	95.9	Very high	95.3	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	155.8	-171.7	-59.9	170.2	0	0	0	111.6	V121 A122 K124 L156 R157 L158 L170	V121-L172 WeakPolarHBondContact CA-O 3.39Å; V121-L172 WeakPolarHBondContact CB-O 3.45Å; A122-L172 HydrophobicContact CB-CB 4.24Å; A122-L172 PolarHBondContact N-O 2.81Å; A122-L172 WeakPolarHBondContact O-CB 3.16Å; A122-L172 PolarHBondContact O-N 2.88Å; K124-L172 HydrophobicContact CB-CD1 3.81Å; K124-L172 HydrophobicContact CD-CD1 4.16Å; L156-L172 HydrophobicContact CD2-CB 4.38Å; L156-L172 HydrophobicContact CD2-CD1 4.45Å; R157-L172 CarbonylContact O-C 3.36Å; R157-L172 WeakPolarHBondContact O-CA 3.41Å; L158-L172 HydrophobicContact CB-CD2 4.14Å; L158-L172 HydrophobicContact CD1-CD2 3.62Å; L158-L172 HydrophobicContact CG-CD2 4.49Å; L170-L172 HydrophobicContact CB-CD2 4.44Å; L170-L172 HydrophobicContact CB-CG 4.3Å
173	E	96.5	Very high	95.3	Very high	34 Å²	34	53.8 Å²	53.8	16%	0.159	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	136.7	162.7	179.5	176.7	-168.2	0	0	110.9	L156 R157 Y159 K233	L156-E173 HydrophobicContact CD1-CB 3.94Å; L156-E173 HydrophobicContact CD1-CG 4.2Å; L156-E173 WeakPolarHBondContact CD1-O 3.31Å; L156-E173 HydrophobicContact CG-CB 4.22Å; R157-E173 HydrophobicContact CB-CB 4.02Å; R157-E173 PolarHBondContact N-OE2 2.84Å; R157-E173 PolarHBondContact O-N 2.9Å; Y159-E173 HydrophobicContact CE2-CB 4.16Å; E173-K233 WeakPolarHBondContact OE1-CE 3.48Å; E173-K233 IonicContact OE1-NZ 2.79Å; E173-K233 PolarHBondContact OE1-NZ 3.48Å; E173-K233 IonicContact OE2-NZ 3.96Å; E173-K233 PolarHBondContact OE2-NZ 2.87Å
174	Y	97.3	Very high	95.5	Very high	55 Å²	55	48 Å²	48	22%	0.216	25%	0.251	C	S	.	.			trans	-88.5	112.3	175.2	176.8	-124.2	0	0	0	110.8	L101 L111 I120 A122 A176	L101-Y174 HydrophobicContact CD1-CD2 3.72Å; L101-Y174 HydrophobicContact CD1-CE2 3.6Å; L101-Y174 HydrophobicContact CD2-CE2 3.74Å; L101-Y174 HydrophobicContact CG-CE2 4.33Å; L111-Y174 HydrophobicContact CD1-CD1 3.95Å; L111-Y174 HydrophobicContact CD1-CD2 3.81Å; L111-Y174 HydrophobicContact CD1-CE1 3.86Å; L111-Y174 HydrophobicContact CD1-CE2 3.73Å; L111-Y174 HydrophobicContact CD1-CG 3.92Å; I120-Y174 HydrophobicContact CG2-CD1 3.67Å; I120-Y174 HydrophobicContact CG2-CE1 4.34Å; I120-Y174 HydrophobicContact CG2-CG 4.08Å; A122-Y174 HydrophobicContact CB-CD2 4.49Å; Y174-A176 HydrophobicContact CD1-CB 4.06Å; Y174-A176 HydrophobicContact CE1-CB 3.58Å; Y174-A176 PolarHBondContact O-N 3.5Å
175	A	96.8	Very high	95.4	Very high	10 Å²	10	51.5 Å²	51.5	8%	0.083	27%	0.27	C	S	.	.			trans	-86.3	93.6	172.7	0	0	0	0	0	110.3	L156 K177 G178 L225 L226	L156-A175 HydrophobicContact CD1-CB 4.11Å; A175-K177 VanDerWaalsContact C-N 3.27Å; A175-K177 PolarHBondContact O-N 2.75Å; A175-G178 PolarHBondContact O-N 3.45Å; A175-G178 VanDerWaalsContact O-N 3.14Å; A175-L225 HydrophobicContact CB-CB 3.45Å; A175-L225 VanDerWaalsContact CB-CB 3.45Å; A175-L225 HydrophobicContact CB-CD1 3.81Å; A175-L225 HydrophobicContact CB-CG 4.26Å; A175-L226 CarbonylContact C-O 3.59Å; A175-L226 WeakPolarHBondContact CA-O 3.44Å; A175-L226 WeakPolarHBondContact CB-O 3.31Å
176	A	95.5	Very high	95.5	Very high	39 Å²	39	50.8 Å²	50.8	32%	0.322	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.7	-165.7	0	0	0	0	0	115.8	Y174 L226 R228	Y174-A176 HydrophobicContact CD1-CB 4.06Å; Y174-A176 HydrophobicContact CE1-CB 3.58Å; Y174-A176 PolarHBondContact O-N 3.5Å; A176-L226 PolarHBondContact N-O 3.43Å; A176-R228 HydrophobicContact CB-CB 4.05Å
177	K	96.2	Very high	95.6	Very high	122 Å²	122	50.3 Å²	50.3	53%	0.53	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	6.1	178.8	-73.8	-177.3	176.5	172.5	0	113.2	A175 L226 S227 R228	A175-K177 VanDerWaalsContact C-N 3.27Å; A175-K177 PolarHBondContact O-N 2.75Å; K177-L226 HydrophobicContact CB-CB 3.55Å; K177-L226 PolarHBondContact N-O 3.41Å; K177-S227 WeakPolarHBondContact CD-O 3.35Å; K177-S227 WeakPolarHBondContact CG-O 3.29Å; K177-R228 WeakPolarHBondContact CE-O 3.47Å; K177-R228 PolarHBondContact NZ-O 3.11Å
178	G	94.9	Very high	95.7	Very high	32 Å²	32	48.7 Å²	48.7	33%	0.33	26%	0.264	S	S	.	.			trans	72.1	-153.9	173.4	0	0	0	0	0	113.6	A175 L225 L226	A175-G178 PolarHBondContact O-N 3.45Å; A175-G178 VanDerWaalsContact O-N 3.14Å; G178-L225 CarbonylContact O-C 3.55Å; G178-L225 VanDerWaalsContact O-CA 3.25Å; G178-L225 WeakPolarHBondContact O-CA 3.03Å; G178-L226 PolarHBondContact O-N 3.11Å
179	E	94.9	Very high	95.8	Very high	77 Å²	77	53.6 Å²	53.6	36%	0.36	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-79.6	140.9	-175.5	-63.7	165.2	-168.8	0	0	111.9	Y181 S182 R183 L225	E179-Y181 PolarHBondContact O-N 2.79Å; E179-S182 PolarHBondContact O-N 3.18Å; E179-R183 PolarHBondContact O-N 3.43Å; E179-L225 HydrophobicContact CB-CD2 4.23Å; E179-L225 HydrophobicContact CG-CD2 3.6Å
180	L	96.6	Very high	96	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-32.4	174.2	-173.4	61.8	0	0	0	111.4	S182 R183 L184 F190 Y198 L221 I224 L226 I232 M284	L180-S182 PolarHBondContact O-N 3.15Å; L180-R183 WeakPolarHBondContact O-CB 3.14Å; L180-R183 PolarHBondContact O-N 2.93Å; L180-L184 PolarHBondContact O-N 2.83Å; L180-F190 HydrophobicContact CD1-CE2 3.72Å; L180-F190 HydrophobicContact CD1-CZ 3.91Å; L180-F190 HydrophobicContact CG-CE2 4.22Å; L180-Y198 HydrophobicContact CD1-CD2 3.93Å; L180-Y198 HydrophobicContact CD1-CE2 3.53Å; L180-Y198 HydrophobicContact CD2-CD2 4.4Å; L180-L221 HydrophobicContact CB-CD2 4.44Å; L180-L221 HydrophobicContact CD2-CD2 3.67Å; L180-L221 HydrophobicContact CG-CD2 3.9Å; L180-I224 HydrophobicContact CB-CB 4.15Å; L180-I224 HydrophobicContact CB-CG2 3.93Å; L180-I224 WeakPolarHBondContact CB-O 3.44Å; L180-I224 HydrophobicContact CD2-CB 4.28Å; L180-I224 HydrophobicContact CD2-CG2 3.7Å; L180-I224 HydrophobicContact CG-CG2 4.46Å; L180-I224 PolarHBondContact N-O 3.37Å; L180-L226 HydrophobicContact CD1-CD1 4.01Å; L180-L226 HydrophobicContact CD1-CD2 4.33Å; L180-L226 HydrophobicContact CD1-CG 4.3Å; L180-I232 HydrophobicContact CD2-CD1 3.96Å; L180-M284 HydrophobicContact CD2-SD 4.15Å
181	Y	94.8	Very high	96.1	Very high	94 Å²	94	57.2 Å²	57.2	37%	0.369	31%	0.307	S	S	.	.	H	α-helix	trans	-56.2	-48.7	173.8	179.7	-98.5	0	0	0	112.4	E179 R183 L184 N185 L221 E222	E179-Y181 PolarHBondContact O-N 2.79Å; Y181-R183 VanDerWaalsContact C-N 3.27Å; Y181-R183 PolarHBondContact O-N 3.42Å; Y181-L184 PolarHBondContact O-N 2.88Å; Y181-N185 WeakPolarHBondContact O-CB 3.44Å; Y181-N185 PolarHBondContact O-N 2.84Å; Y181-L221 HydrophobicContact CD2-CB 4.13Å; Y181-L221 HydrophobicContact CD2-CD1 4.33Å; Y181-L221 HydrophobicContact CG-CB 4.45Å; Y181-L221 PolarHBondContact N-O 3.33Å; Y181-E222 HydrophobicContact CD1-CG 4.46Å; Y181-E222 HydrophobicContact CD2-CG 4.34Å; Y181-E222 HydrophobicContact CG-CG 4.02Å
182	S	93.1	Very high	96.2	Very high	54 Å²	54	59.2 Å²	59.2	38%	0.378	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-42.5	178	-69.1	0	0	0	0	110.8	E179 L180 L184 N185 E186	E179-S182 PolarHBondContact O-N 3.18Å; L180-S182 PolarHBondContact O-N 3.15Å; S182-L184 PolarHBondContact O-N 2.77Å; S182-N185 PolarHBondContact O-N 3.44Å; S182-E186 WeakPolarHBondContact O-CG 3.42Å; S182-E186 PolarHBondContact O-N 2.95Å
183	R	95.8	Very high	96.2	Very high	100 Å²	100	63 Å²	63	38%	0.377	34%	0.337	S	S	.	.	H	α-helix	trans	-65	-38.2	178.2	-177.7	63.6	-174	100.9	-0	113.1	E179 L180 Y181 A187 F190 L226	E179-R183 PolarHBondContact O-N 3.43Å; L180-R183 WeakPolarHBondContact O-CB 3.14Å; L180-R183 PolarHBondContact O-N 2.93Å; Y181-R183 VanDerWaalsContact C-N 3.27Å; Y181-R183 PolarHBondContact O-N 3.42Å; R183-A187 WeakPolarHBondContact O-CB 3.39Å; R183-A187 PolarHBondContact O-N 3.38Å; R183-F190 HydrophobicContact CB-CZ 4.28Å; R183-F190 HydrophobicContact CG-CE1 4.03Å; R183-F190 HydrophobicContact CG-CZ 3.91Å; R183-L226 HydrophobicContact CB-CD1 4.3Å; R183-L226 HydrophobicContact CG-CD1 4.26Å
184	L	97	Very high	96.2	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-67.4	-46.5	175.8	-178.7	68.1	0	0	0	110.6	L180 Y181 S182 E186 A187 G188 F190 L221 E283	L180-L184 PolarHBondContact O-N 2.83Å; Y181-L184 PolarHBondContact O-N 2.88Å; S182-L184 PolarHBondContact O-N 2.77Å; L184-E186 VanDerWaalsContact C-N 3.27Å; L184-E186 PolarHBondContact O-N 3.19Å; L184-A187 CarbonylContact O-C 3.56Å; L184-A187 PolarHBondContact O-N 2.83Å; L184-G188 PolarHBondContact O-N 3.06Å; L184-F190 VanDerWaalsContact CA-CZ 3.44Å; L184-F190 HydrophobicContact CB-CE1 4.24Å; L184-F190 HydrophobicContact CB-CE2 4.04Å; L184-F190 HydrophobicContact CB-CZ 3.68Å; L184-F190 HydrophobicContact CD1-CD1 3.98Å; L184-F190 HydrophobicContact CD1-CD2 3.83Å; L184-F190 HydrophobicContact CD1-CE1 3.98Å; L184-F190 HydrophobicContact CD1-CE2 3.81Å; L184-F190 HydrophobicContact CD1-CG 3.9Å; L184-F190 HydrophobicContact CD1-CZ 3.89Å; L184-F190 HydrophobicContact CG-CZ 4.42Å; L184-L221 HydrophobicContact CD2-CD1 3.33Å; L184-E283 HydrophobicContact CD2-CG 3.84Å
185	N	94.1	Very high	96.3	Very high	120 Å²	120	61.2 Å²	61.2	64%	0.642	33%	0.332	S	S	*	.	H	α-helix	trans	-59.2	-39.4	179.5	-170.6	51	0	0	0	111.9	Y181 S182	Y181-N185 WeakPolarHBondContact O-CB 3.44Å; Y181-N185 PolarHBondContact O-N 2.84Å; S182-N185 PolarHBondContact O-N 3.44Å
186	E	96.1	Very high	96.3	Very high	151 Å²	151	60.7 Å²	60.7	71%	0.706	33%	0.328	S	S	*	.	H	α-helix	trans	-65.7	-33.8	172.9	-72.6	172.5	-175.7	0	0	113.4	S182 L184	S182-E186 WeakPolarHBondContact O-CG 3.42Å; S182-E186 PolarHBondContact O-N 2.95Å; L184-E186 VanDerWaalsContact C-N 3.27Å; L184-E186 PolarHBondContact O-N 3.19Å
187	A	97.2	Very high	96.4	Very high	43 Å²	43	61 Å²	61	36%	0.355	32%	0.324	S	S	.	.	H	α-helix	trans	-86	-20.1	-179.3	0	0	0	0	0	113.7	R183 L184 K189 F190	R183-A187 WeakPolarHBondContact O-CB 3.39Å; R183-A187 PolarHBondContact O-N 3.38Å; L184-A187 CarbonylContact O-C 3.56Å; L184-A187 PolarHBondContact O-N 2.83Å; A187-K189 PolarHBondContact O-N 2.85Å; A187-F190 HydrophobicContact CB-CD1 3.95Å; A187-F190 HydrophobicContact CB-CE1 3.83Å
188	G	97	Very high	96.5	Very high	44 Å²	44	56 Å²	56	45%	0.454	30%	0.302	S	S	.	.	S	Bend	trans	76.2	-53.2	-166.7	0	0	0	0	0	112.5	L184 G287	L184-G188 PolarHBondContact O-N 3.06Å; G188-G287 WeakPolarHBondContact O-CA 3.49Å
189	K	97.1	Very high	96.7	Very high	131 Å²	131	54.5 Å²	54.5	57%	0.57	29%	0.286	S	S	*	.	S	Bend	trans	-151.5	162.4	171	61.7	176.5	179.1	175.6	0	110.6	A187 L285	A187-K189 PolarHBondContact O-N 2.85Å; K189-L285 WeakPolarHBondContact CD-O 3.5Å
190	F	97.8	Very high	96.8	Very high	11 Å²	11	52 Å²	52	5%	0.048	28%	0.28	C	S	.	.			trans	-95.6	158.5	172.7	-62.5	-30.6	0	0	0	111.9	L180 R183 L184 A187 L194 Y198 M284	L180-F190 HydrophobicContact CD1-CE2 3.72Å; L180-F190 HydrophobicContact CD1-CZ 3.91Å; L180-F190 HydrophobicContact CG-CE2 4.22Å; R183-F190 HydrophobicContact CB-CZ 4.28Å; R183-F190 HydrophobicContact CG-CE1 4.03Å; R183-F190 HydrophobicContact CG-CZ 3.91Å; L184-F190 VanDerWaalsContact CA-CZ 3.44Å; L184-F190 HydrophobicContact CB-CE1 4.24Å; L184-F190 HydrophobicContact CB-CE2 4.04Å; L184-F190 HydrophobicContact CB-CZ 3.68Å; L184-F190 HydrophobicContact CD1-CD1 3.98Å; L184-F190 HydrophobicContact CD1-CD2 3.83Å; L184-F190 HydrophobicContact CD1-CE1 3.98Å; L184-F190 HydrophobicContact CD1-CE2 3.81Å; L184-F190 HydrophobicContact CD1-CG 3.9Å; L184-F190 HydrophobicContact CD1-CZ 3.89Å; L184-F190 HydrophobicContact CG-CZ 4.42Å; A187-F190 HydrophobicContact CB-CD1 3.95Å; A187-F190 HydrophobicContact CB-CE1 3.83Å; F190-L194 HydrophobicContact CB-CB 4.42Å; F190-L194 HydrophobicContact CB-CD2 4.15Å; F190-L194 HydrophobicContact CB-CG 4.43Å; F190-L194 HydrophobicContact CD1-CD2 3.82Å; F190-L194 HydrophobicContact CE1-CD2 4.36Å; F190-L194 HydrophobicContact CG-CD2 3.91Å; F190-L194 HydrophobicContact CG-CG 4.43Å; F190-Y198 HydrophobicContact CD2-CD2 4.19Å; F190-Y198 HydrophobicContact CD2-CE2 4.2Å; F190-Y198 HydrophobicContact CE2-CD2 4.15Å; F190-Y198 AromaticContact CE2-CE2 3.93Å; F190-Y198 HydrophobicContact CE2-CE2 3.93Å; F190-Y198 HydrophobicContact CZ-CE2 4.38Å; F190-M284 HydrophobicContact CD2-CB 3.9Å; F190-M284 HydrophobicContact CD2-CG 3.78Å; F190-M284 HydrophobicContact CD2-SD 4.05Å; F190-M284 HydrophobicContact CE2-CG 4.06Å; F190-M284 HydrophobicContact CE2-SD 4.3Å; F190-M284 PolarHBondContact N-O 3.26Å
191	S	97.3	Very high	96.9	Very high	67 Å²	67	52.9 Å²	52.9	47%	0.469	28%	0.284	S	S	.	.			trans	-70.5	161.8	168.3	63	0	0	0	0	110.7	D193 L194 T195	S191-D193 VanDerWaalsContact C-N 3.31Å; S191-D193 PolarHBondContact O-N 2.79Å; S191-L194 PolarHBondContact O-N 2.89Å; S191-L194 WeakPolarHBondContact OG-CB 3.49Å; S191-L194 PolarHBondContact OG-N 2.91Å; S191-T195 WeakPolarHBondContact O-CB 3.16Å; S191-T195 PolarHBondContact O-N 2.89Å; S191-T195 PolarHBondContact O-OG1 2.76Å
192	E	97.8	Very high	97.1	Very high	42 Å²	42	48.5 Å²	48.5	20%	0.196	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-41	174	-69	-167	171.2	0	0	111.7	L194 T195 A196 L285 S315 F344 H348	E192-L194 PolarHBondContact O-N 2.79Å; E192-T195 PolarHBondContact O-N 2.74Å; E192-A196 VanDerWaalsContact O-CB 3.32Å; E192-A196 WeakPolarHBondContact O-CB 3.43Å; E192-A196 PolarHBondContact O-N 3.48Å; E192-L285 HydrophobicContact CB-CD2 4.48Å; E192-L285 HydrophobicContact CG-CD2 3.78Å; E192-S315 PolarHBondContact OE1-N 2.93Å; E192-S315 PolarHBondContact OE1-OG 3.35Å; E192-S315 VanDerWaalsContact OE1-OG 3.07Å; E192-S315 WeakPolarHBondContact OE2-CB 3.38Å; E192-S315 PolarHBondContact OE2-OG 3.31Å; E192-F344 HydrophobicContact CB-CE2 3.83Å; E192-F344 HydrophobicContact CB-CZ 4.11Å; E192-F344 HydrophobicContact CG-CE2 4.01Å; E192-F344 HydrophobicContact CG-CZ 4.42Å; E192-H348 IonicContact OE2-CE1 3.65Å; E192-H348 IonicContact OE2-NE2 3.43Å
193	D	97	Very high	97.3	Very high	93 Å²	93	46 Å²	46	50%	0.497	25%	0.249	S	C	.	.	H	α-helix	trans	-57.1	-48.7	175.9	-61.2	-50.7	0	0	0	112.9	S191 N197 H348	S191-D193 VanDerWaalsContact C-N 3.31Å; S191-D193 PolarHBondContact O-N 2.79Å; D193-N197 WeakPolarHBondContact O-CB 3.42Å; D193-N197 PolarHBondContact O-N 3.01Å; D193-H348 IonicContact OD1-CE1 3.48Å; D193-H348 IonicContact OD1-CG 2.6Å; D193-H348 IonicContact OD1-ND1 2.76Å; D193-H348 PolarHBondContact OD1-ND1 2.67Å
194	L	97	Very high	97.5	Very high	50 Å²	50	44.9 Å²	44.9	26%	0.262	25%	0.251	S	S	.	.	H	α-helix	trans	-69	-41.5	-179.3	-177	59.7	0	0	0	111.1	F190 S191 E192 N197 Y198	F190-L194 HydrophobicContact CB-CB 4.42Å; F190-L194 HydrophobicContact CB-CD2 4.15Å; F190-L194 HydrophobicContact CB-CG 4.43Å; F190-L194 HydrophobicContact CD1-CD2 3.82Å; F190-L194 HydrophobicContact CE1-CD2 4.36Å; F190-L194 HydrophobicContact CG-CD2 3.91Å; F190-L194 HydrophobicContact CG-CG 4.43Å; S191-L194 PolarHBondContact O-N 2.89Å; S191-L194 WeakPolarHBondContact OG-CB 3.49Å; S191-L194 PolarHBondContact OG-N 2.91Å; E192-L194 PolarHBondContact O-N 2.79Å; L194-N197 PolarHBondContact O-N 2.97Å; L194-Y198 HydrophobicContact CD1-CD2 4.2Å; L194-Y198 HydrophobicContact CD1-CE1 4.07Å; L194-Y198 HydrophobicContact CD1-CE2 3.65Å; L194-Y198 HydrophobicContact CD2-CE2 4.03Å; L194-Y198 HydrophobicContact CG-CD2 4.04Å; L194-Y198 HydrophobicContact CG-CE2 3.64Å; L194-Y198 PolarHBondContact O-N 3.34Å
195	T	98.1	Very high	97.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.1	-48	177.2	-58.5	0	0	0	0	110.7	S191 E192 N197 Y198 M199 M281 M284 L285 F344	S191-T195 WeakPolarHBondContact O-CB 3.16Å; S191-T195 PolarHBondContact O-N 2.89Å; S191-T195 PolarHBondContact O-OG1 2.76Å; E192-T195 PolarHBondContact O-N 2.74Å; T195-N197 VanDerWaalsContact C-N 3.32Å; T195-N197 PolarHBondContact O-N 2.78Å; T195-Y198 PolarHBondContact O-N 3.12Å; T195-M199 HydrophobicContact CG2-CG 4.23Å; T195-M199 WeakPolarHBondContact O-CB 3.23Å; T195-M199 VanDerWaalsContact O-CG 3.28Å; T195-M199 WeakPolarHBondContact O-CG 3.34Å; T195-M199 PolarHBondContact O-N 3.19Å; T195-M281 HydrophobicContact CG2-CG 4.18Å; T195-M284 HydrophobicContact CG2-CB 3.9Å; T195-M284 HydrophobicContact CG2-CE 3.91Å; T195-M284 HydrophobicContact CG2-SD 4.46Å; T195-L285 HydrophobicContact CG2-CD1 4.21Å; T195-L285 HydrophobicContact CG2-CD2 3.87Å; T195-L285 HydrophobicContact CG2-CG 3.73Å; T195-L285 WeakPolarHBondContact OG1-CD2 3.32Å; T195-F344 HydrophobicContact CG2-CE1 4.37Å; T195-F344 HydrophobicContact CG2-CZ 4.37Å
196	A	98	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-41.3	177	0	0	0	0	0	112	E192 Y198 M199 A200 F344 I345 H348 V349	E192-A196 VanDerWaalsContact O-CB 3.32Å; E192-A196 WeakPolarHBondContact O-CB 3.43Å; E192-A196 PolarHBondContact O-N 3.48Å; A196-Y198 PolarHBondContact O-N 2.88Å; A196-M199 PolarHBondContact O-N 3.37Å; A196-A200 WeakPolarHBondContact O-CB 3.48Å; A196-A200 PolarHBondContact O-N 3.49Å; A196-F344 HydrophobicContact CB-CD1 4.2Å; A196-F344 HydrophobicContact CB-CE1 3.72Å; A196-F344 HydrophobicContact CB-CZ 4.13Å; A196-I345 HydrophobicContact CB-CD1 4.44Å; A196-H348 HydrophobicContact CB-CB 3.32Å; A196-V349 HydrophobicContact CB-CG2 4.32Å
197	N	97.4	Very high	97.8	Very high	45 Å²	45	33.9 Å²	33.9	24%	0.241	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-40.4	176.7	-170	-94.4	0	0	0	113.3	D193 L194 T195 Q201	D193-N197 WeakPolarHBondContact O-CB 3.42Å; D193-N197 PolarHBondContact O-N 3.01Å; L194-N197 PolarHBondContact O-N 2.97Å; T195-N197 VanDerWaalsContact C-N 3.32Å; T195-N197 PolarHBondContact O-N 2.78Å; N197-Q201 WeakPolarHBondContact O-CG 3.45Å; N197-Q201 PolarHBondContact O-N 3.01Å; N197-Q201 PolarHBondContact O-NE2 2.99Å; N197-Q201 PolarHBondContact OD1-NE2 3.31Å
198	Y	98.1	Very high	97.8	Very high	17 Å²	17	34 Å²	34	7%	0.067	19%	0.188	C	C	.	.	H	α-helix	trans	-70	-44.5	174.1	-70.1	-26.9	0	0	0	111.7	L180 F190 L194 T195 A196 A200 Q201 V202 L226 I232 M284	L180-Y198 HydrophobicContact CD1-CD2 3.93Å; L180-Y198 HydrophobicContact CD1-CE2 3.53Å; L180-Y198 HydrophobicContact CD2-CD2 4.4Å; F190-Y198 HydrophobicContact CD2-CD2 4.19Å; F190-Y198 HydrophobicContact CD2-CE2 4.2Å; F190-Y198 HydrophobicContact CE2-CD2 4.15Å; F190-Y198 AromaticContact CE2-CE2 3.93Å; F190-Y198 HydrophobicContact CE2-CE2 3.93Å; F190-Y198 HydrophobicContact CZ-CE2 4.38Å; L194-Y198 HydrophobicContact CD1-CD2 4.2Å; L194-Y198 HydrophobicContact CD1-CE1 4.07Å; L194-Y198 HydrophobicContact CD1-CE2 3.65Å; L194-Y198 HydrophobicContact CD2-CE2 4.03Å; L194-Y198 HydrophobicContact CG-CD2 4.04Å; L194-Y198 HydrophobicContact CG-CE2 3.64Å; L194-Y198 PolarHBondContact O-N 3.34Å; T195-Y198 PolarHBondContact O-N 3.12Å; A196-Y198 PolarHBondContact O-N 2.88Å; Y198-A200 VanDerWaalsContact C-N 3.34Å; Y198-A200 PolarHBondContact O-N 3.14Å; Y198-Q201 PolarHBondContact O-N 3.44Å; Y198-Q201 VanDerWaalsContact O-N 3.16Å; Y198-V202 VanDerWaalsContact O-CG2 3.29Å; Y198-V202 WeakPolarHBondContact O-CG2 3.39Å; Y198-V202 PolarHBondContact O-N 3.29Å; Y198-L226 HydrophobicContact CE1-CD2 3.85Å; Y198-I232 HydrophobicContact CD1-CD1 3.56Å; Y198-I232 HydrophobicContact CD1-CG1 3.62Å; Y198-I232 HydrophobicContact CE1-CD1 4.1Å; Y198-I232 HydrophobicContact CE1-CG1 4.32Å; Y198-I232 HydrophobicContact CG-CD1 3.82Å; Y198-I232 HydrophobicContact CG-CG1 4.19Å; Y198-M284 HydrophobicContact CD2-SD 4.1Å
199	M	98.4	Very high	97.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.4	-44.5	177.3	-75.3	-57.1	-64.6	0	0	111.9	T195 A196 Q201 V202 V203 L277 M281 M284 I345	T195-M199 HydrophobicContact CG2-CG 4.23Å; T195-M199 WeakPolarHBondContact O-CB 3.23Å; T195-M199 VanDerWaalsContact O-CG 3.28Å; T195-M199 WeakPolarHBondContact O-CG 3.34Å; T195-M199 PolarHBondContact O-N 3.19Å; A196-M199 PolarHBondContact O-N 3.37Å; M199-Q201 VanDerWaalsContact C-N 3.3Å; M199-Q201 PolarHBondContact O-N 2.6Å; M199-V202 PolarHBondContact O-N 2.87Å; M199-V203 HydrophobicContact CE-CG2 4.32Å; M199-V203 VanDerWaalsContact O-CB 3.3Å; M199-V203 WeakPolarHBondContact O-CB 3.36Å; M199-V203 WeakPolarHBondContact O-CG2 3.3Å; M199-V203 PolarHBondContact O-N 3.45Å; M199-L277 HydrophobicContact CE-CB 4.03Å; M199-L277 HydrophobicContact CE-CD2 4.06Å; M199-M281 HydrophobicContact CE-CB 4.04Å; M199-M281 HydrophobicContact CG-CB 4.27Å; M199-M281 HydrophobicContact CG-CG 4.36Å; M199-M281 HydrophobicContact SD-CB 3.88Å; M199-M284 HydrophobicContact CG-CE 3.74Å; M199-M284 HydrophobicContact SD-CE 3.47Å; M199-M284 WeakPolarHBondContact SD-CE 3.37Å; M199-I345 HydrophobicContact CB-CD1 3.6Å
200	A	98.1	Very high	97.8	Very high	26 Å²	26	27.2 Å²	27.2	22%	0.215	15%	0.147	C	C	.	.	H	α-helix	trans	-55.7	-44.5	176.4	0	0	0	0	0	112.4	A196 Y198 D204 I345 V349	A196-A200 WeakPolarHBondContact O-CB 3.48Å; A196-A200 PolarHBondContact O-N 3.49Å; Y198-A200 VanDerWaalsContact C-N 3.34Å; Y198-A200 PolarHBondContact O-N 3.14Å; A200-D204 WeakPolarHBondContact O-CB 3.44Å; A200-D204 PolarHBondContact O-N 3.19Å; A200-I345 HydrophobicContact CB-CG2 3.93Å; A200-V349 HydrophobicContact CB-CG2 3.91Å
201	Q	98.2	Very high	97.7	Very high	19 Å²	19	34 Å²	34	9%	0.089	18%	0.176	C	C	.	.	H	α-helix	trans	-69.5	-39.2	178.7	-72.2	174.2	77.5	0	0	113	N154 N197 Y198 M199 A205 I232	N154-Q201 PolarHBondContact ND2-OE1 2.97Å; N197-Q201 WeakPolarHBondContact O-CG 3.45Å; N197-Q201 PolarHBondContact O-N 3.01Å; N197-Q201 PolarHBondContact O-NE2 2.99Å; N197-Q201 PolarHBondContact OD1-NE2 3.31Å; Y198-Q201 PolarHBondContact O-N 3.44Å; Y198-Q201 VanDerWaalsContact O-N 3.16Å; M199-Q201 VanDerWaalsContact C-N 3.3Å; M199-Q201 PolarHBondContact O-N 2.6Å; Q201-A205 WeakPolarHBondContact O-CB 3.42Å; Q201-A205 PolarHBondContact O-N 3.2Å; Q201-A205 VanDerWaalsContact O-N 3.14Å; Q201-I232 HydrophobicContact CB-CB 3.84Å; Q201-I232 HydrophobicContact CB-CG1 3.93Å; Q201-I232 HydrophobicContact CB-CG2 4.41Å
202	V	98.4	Very high	97.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-68.3	-45.8	177.6	-179.5	0	0	0	0	109.9	Y198 M199 D204 A205 V206 I224 I232 I234 L277	Y198-V202 VanDerWaalsContact O-CG2 3.29Å; Y198-V202 WeakPolarHBondContact O-CG2 3.39Å; Y198-V202 PolarHBondContact O-N 3.29Å; M199-V202 PolarHBondContact O-N 2.87Å; V202-D204 VanDerWaalsContact C-N 3.35Å; V202-D204 PolarHBondContact O-N 3.21Å; V202-A205 PolarHBondContact O-N 3.27Å; V202-V206 HydrophobicContact CG1-CG2 4.25Å; V202-V206 VanDerWaalsContact O-CG2 3.29Å; V202-V206 WeakPolarHBondContact O-CG2 3.23Å; V202-V206 PolarHBondContact O-N 3.16Å; V202-I224 HydrophobicContact CG2-CD1 4.1Å; V202-I232 HydrophobicContact CG2-CD1 4.45Å; V202-I232 HydrophobicContact CG2-CG1 4.37Å; V202-I232 HydrophobicContact CG2-CG2 3.73Å; V202-I234 HydrophobicContact CG1-CD1 4.05Å; V202-L277 HydrophobicContact CB-CD2 4.3Å; V202-L277 HydrophobicContact CG1-CD2 3.47Å; V202-L277 VanDerWaalsContact CG1-CD2 3.47Å
203	V	98.5	Very high	97.3	Very high	2 Å²	2	41 Å²	41	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-44.2	178.3	170.5	0	0	0	0	111	M199 V206 N207 L277 L336 I339 A340	M199-V203 HydrophobicContact CE-CG2 4.32Å; M199-V203 VanDerWaalsContact O-CB 3.3Å; M199-V203 WeakPolarHBondContact O-CB 3.36Å; M199-V203 WeakPolarHBondContact O-CG2 3.3Å; M199-V203 PolarHBondContact O-N 3.45Å; V203-V206 PolarHBondContact O-N 3.23Å; V203-N207 WeakPolarHBondContact O-CB 3.45Å; V203-N207 PolarHBondContact O-N 3.18Å; V203-L277 HydrophobicContact CG2-CD1 4.07Å; V203-L277 HydrophobicContact CG2-CD2 4.33Å; V203-L336 HydrophobicContact CG1-CB 4.43Å; V203-L336 HydrophobicContact CG1-CD2 4.09Å; V203-L336 WeakPolarHBondContact CG1-O 3.1Å; V203-I339 HydrophobicContact CG1-CB 4.33Å; V203-I339 HydrophobicContact CG1-CG2 4.15Å; V203-I339 HydrophobicContact CG2-CG2 3.58Å; V203-A340 HydrophobicContact CG1-CB 4.09Å
204	D	98.1	Very high	97.1	Very high	76 Å²	76	36.6 Å²	36.6	41%	0.406	17%	0.174	S	C	.	.	H	α-helix	trans	-60.8	-45.8	175.9	-174.4	41.9	0	0	0	112	H152 A200 V202 V206 N207 Y208	H152-D204 IonicContact CE1-OD2 3.04Å; H152-D204 PolarHBondContact CE1-OD2 3.11Å; H152-D204 IonicContact NE2-OD2 3.14Å; H152-D204 PolarHBondContact NE2-OD2 3.22Å; H152-D204 VanDerWaalsContact NE2-OD2 3.16Å; A200-D204 WeakPolarHBondContact O-CB 3.44Å; A200-D204 PolarHBondContact O-N 3.19Å; V202-D204 VanDerWaalsContact C-N 3.35Å; V202-D204 PolarHBondContact O-N 3.21Å; D204-V206 PolarHBondContact O-N 3.38Å; D204-N207 WeakPolarHBondContact O-CB 3.29Å; D204-N207 PolarHBondContact O-N 2.82Å; D204-Y208 PolarHBondContact O-N 3.16Å
205	A	98.2	Very high	96.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-42.9	175.5	0	0	0	0	0	113.1	N154 I155 Q201 V202 N207 Y208 L209 I234	N154-A205 HydrophobicContact CB-CB 3.88Å; I155-A205 HydrophobicContact CG1-CB 4.03Å; Q201-A205 WeakPolarHBondContact O-CB 3.42Å; Q201-A205 PolarHBondContact O-N 3.2Å; Q201-A205 VanDerWaalsContact O-N 3.14Å; V202-A205 PolarHBondContact O-N 3.27Å; A205-N207 VanDerWaalsContact C-N 3.33Å; A205-Y208 WeakPolarHBondContact O-CB 3.23Å; A205-Y208 PolarHBondContact O-N 3.12Å; A205-L209 WeakPolarHBondContact O-CG 3.4Å; A205-L209 PolarHBondContact O-N 2.82Å; A205-I234 HydrophobicContact CB-CD1 3.52Å; A205-I234 HydrophobicContact CB-CG1 4.24Å
206	V	98.1	Very high	96.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.5	-37.8	177.6	176.9	0	0	0	0	110.6	V202 V203 D204 Y208 L209 H210 L219 I234 D273 L336	V202-V206 HydrophobicContact CG1-CG2 4.25Å; V202-V206 VanDerWaalsContact O-CG2 3.29Å; V202-V206 WeakPolarHBondContact O-CG2 3.23Å; V202-V206 PolarHBondContact O-N 3.16Å; V203-V206 PolarHBondContact O-N 3.23Å; D204-V206 PolarHBondContact O-N 3.38Å; V206-Y208 VanDerWaalsContact C-N 3.32Å; V206-Y208 PolarHBondContact O-N 3.19Å; V206-L209 WeakPolarHBondContact O-CB 3.36Å; V206-L209 PolarHBondContact O-N 3.21Å; V206-L209 VanDerWaalsContact O-N 3.14Å; V206-H210 PolarHBondContact O-CD2 3.4Å; V206-H210 PolarHBondContact O-N 2.97Å; V206-L219 HydrophobicContact CG2-CD1 3.67Å; V206-I234 HydrophobicContact CG2-CD1 4.07Å; V206-D273 HydrophobicContact CG1-CB 4.01Å; V206-L336 HydrophobicContact CB-CD1 4.44Å; V206-L336 HydrophobicContact CB-CD2 4.19Å; V206-L336 HydrophobicContact CG1-CD1 3.85Å; V206-L336 HydrophobicContact CG1-CD2 3.91Å
207	N	97.9	Very high	96.4	Very high	43 Å²	43	35.7 Å²	35.7	23%	0.23	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-43	174.6	-170.9	24	0	0	0	111.3	V203 D204 A205 L209 H210 K211 L336	V203-N207 WeakPolarHBondContact O-CB 3.45Å; V203-N207 PolarHBondContact O-N 3.18Å; D204-N207 WeakPolarHBondContact O-CB 3.29Å; D204-N207 PolarHBondContact O-N 2.82Å; A205-N207 VanDerWaalsContact C-N 3.33Å; N207-L209 PolarHBondContact O-N 3.24Å; N207-H210 PolarHBondContact O-N 3.22Å; N207-K211 PolarHBondContact ND2-NZ 2.87Å; N207-K211 VanDerWaalsContact ND2-NZ 3.19Å; N207-K211 WeakPolarHBondContact O-CB 3.47Å; N207-K211 VanDerWaalsContact O-CG 3.3Å; N207-K211 WeakPolarHBondContact O-CG 3.48Å; N207-K211 PolarHBondContact O-N 2.81Å; N207-K211 WeakPolarHBondContact OD1-CE 3.34Å; N207-L336 HydrophobicContact CB-CB 4.12Å; N207-L336 HydrophobicContact CB-CD1 4.02Å
208	Y	97.8	Very high	96	Very high	45 Å²	45	34.8 Å²	34.8	18%	0.176	16%	0.163	C	C	.	.	H	α-helix	trans	-58.7	-45.5	172.1	174	-91.6	0	0	0	112.5	L150 K151 H152 I155 D204 A205 V206 K211 K212	L150-Y208 HydrophobicContact CB-CE1 4.26Å; L150-Y208 HydrophobicContact CD2-CE1 3.86Å; K151-Y208 PolarHBondContact N-OH 2.86Å; K151-Y208 PolarHBondContact O-OH 3.12Å; H152-Y208 HydrophobicContact CB-CD1 3.97Å; H152-Y208 HydrophobicContact CB-CE1 4.15Å; H152-Y208 HydrophobicContact CB-CG 4.17Å; H152-Y208 AromaticContact CD2-CD2 3.85Å; H152-Y208 AromaticContact CD2-CG 3.67Å; I155-Y208 HydrophobicContact CD1-CD1 3.55Å; I155-Y208 HydrophobicContact CD1-CE1 3.99Å; D204-Y208 PolarHBondContact O-N 3.16Å; A205-Y208 WeakPolarHBondContact O-CB 3.23Å; A205-Y208 PolarHBondContact O-N 3.12Å; V206-Y208 VanDerWaalsContact C-N 3.32Å; V206-Y208 PolarHBondContact O-N 3.19Å; Y208-K211 PolarHBondContact O-N 3.21Å; Y208-K212 HydrophobicContact CE1-CG 4.15Å; Y208-K212 WeakPolarHBondContact O-CG 3.36Å; Y208-K212 PolarHBondContact O-N 2.72Å; Y208-K212 VanDerWaalsContact O-N 3.12Å
209	L	96.9	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-49.4	177.4	-68.9	174	0	0	0	111.7	L150 I155 A205 V206 N207 K211 K212 K213 V214 H216 F237	L150-L209 HydrophobicContact CD1-CD2 3.58Å; L150-L209 HydrophobicContact CD2-CD2 3.85Å; L150-L209 HydrophobicContact CG-CD2 4.34Å; I155-L209 HydrophobicContact CD1-CD2 3.69Å; I155-L209 HydrophobicContact CD1-CG 3.9Å; A205-L209 WeakPolarHBondContact O-CG 3.4Å; A205-L209 PolarHBondContact O-N 2.82Å; V206-L209 WeakPolarHBondContact O-CB 3.36Å; V206-L209 PolarHBondContact O-N 3.21Å; V206-L209 VanDerWaalsContact O-N 3.14Å; N207-L209 PolarHBondContact O-N 3.24Å; L209-K211 VanDerWaalsContact C-N 3.33Å; L209-K211 PolarHBondContact O-N 3.31Å; L209-K212 CarbonylContact O-C 3.53Å; L209-K212 WeakPolarHBondContact O-CA 3.47Å; L209-K212 WeakPolarHBondContact O-CB 3.47Å; L209-K212 PolarHBondContact O-N 3.26Å; L209-K213 PolarHBondContact O-N 2.96Å; L209-V214 CarbonylContact C-O 3.48Å; L209-V214 VanDerWaalsContact C-O 3.23Å; L209-V214 HydrophobicContact CB-CB 4.31Å; L209-V214 HydrophobicContact CD2-CB 4.24Å; L209-V214 HydrophobicContact CD2-CG1 4.03Å; L209-V214 PolarHBondContact O-N 3.14Å; L209-H216 HydrophobicContact CD1-CB 4.3Å; L209-F237 HydrophobicContact CD1-CE1 3.92Å; L209-F237 HydrophobicContact CD2-CE1 3.67Å; L209-F237 HydrophobicContact CD2-CZ 4.33Å; L209-F237 HydrophobicContact CG-CE1 4.46Å
210	H	96	Very high	95.6	Very high	34 Å²	34	35.2 Å²	35.2	16%	0.157	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-37.5	-178.2	-73.3	-164	0	0	0	111.8	V206 N207 K212 K213 V214 A270 D273 L336	V206-H210 PolarHBondContact O-CD2 3.4Å; V206-H210 PolarHBondContact O-N 2.97Å; N207-H210 PolarHBondContact O-N 3.22Å; H210-K212 PolarHBondContact O-N 3.45Å; H210-K213 WeakPolarHBondContact O-CA 3.35Å; H210-K213 PolarHBondContact O-N 3.37Å; H210-V214 PolarHBondContact CD2-O 3.34Å; H210-A270 PolarHBondContact CE1-O 2.47Å; H210-D273 IonicContact CD2-OD2 2.73Å; H210-D273 IonicContact CE1-OD2 3.97Å; H210-D273 IonicContact NE2-OD2 3.18Å; H210-D273 PolarHBondContact NE2-OD2 3.03Å; H210-L336 HydrophobicContact CB-CD1 4.29Å; H210-L336 WeakPolarHBondContact ND1-CD1 3.48Å
211	K	95.8	Very high	95.4	Very high	154 Å²	154	34 Å²	34	67%	0.67	16%	0.155	S	C	*	.	H	α-helix	trans	-61.3	-31.8	170.9	-76.1	171.2	177.6	168.7	0	112.6	N207 Y208 L209 K213	N207-K211 PolarHBondContact ND2-NZ 2.87Å; N207-K211 VanDerWaalsContact ND2-NZ 3.19Å; N207-K211 WeakPolarHBondContact O-CB 3.47Å; N207-K211 VanDerWaalsContact O-CG 3.3Å; N207-K211 WeakPolarHBondContact O-CG 3.48Å; N207-K211 PolarHBondContact O-N 2.81Å; N207-K211 WeakPolarHBondContact OD1-CE 3.34Å; Y208-K211 PolarHBondContact O-N 3.21Å; L209-K211 VanDerWaalsContact C-N 3.33Å; L209-K211 PolarHBondContact O-N 3.31Å; K211-K213 PolarHBondContact O-N 3.08Å
212	K	94.3	Very high	95.1	Very high	111 Å²	111	35.5 Å²	35.5	48%	0.483	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	5.5	171.3	-68.9	-74.6	178.3	-157.1	0	113.7	Y208 L209 H210 V214	Y208-K212 HydrophobicContact CE1-CG 4.15Å; Y208-K212 WeakPolarHBondContact O-CG 3.36Å; Y208-K212 PolarHBondContact O-N 2.72Å; Y208-K212 VanDerWaalsContact O-N 3.12Å; L209-K212 CarbonylContact O-C 3.53Å; L209-K212 WeakPolarHBondContact O-CA 3.47Å; L209-K212 WeakPolarHBondContact O-CB 3.47Å; L209-K212 PolarHBondContact O-N 3.26Å; H210-K212 PolarHBondContact O-N 3.45Å; K212-V214 HydrophobicContact CB-CG2 4.16Å; K212-V214 PolarHBondContact O-N 3.23Å
213	K	93.1	Very high	94.9	Very high	143 Å²	143	36 Å²	36	62%	0.622	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	25.8	-174.5	-52.8	-59.9	-175.7	-177.9	0	113.5	L209 H210 K211 H242 A243	L209-K213 PolarHBondContact O-N 2.96Å; H210-K213 WeakPolarHBondContact O-CA 3.35Å; H210-K213 PolarHBondContact O-N 3.37Å; K211-K213 PolarHBondContact O-N 3.08Å; K213-H242 WeakPolarHBondContact O-CA 3.27Å; K213-A243 PolarHBondContact O-N 3.3Å
214	V	92.4	Very high	94.8	Very high	1 Å²	1	36 Å²	36	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.7	175.6	179	0	0	0	0	108.9	I146 L209 H210 K212 A240 V241	I146-V214 HydrophobicContact CG2-CG1 3.87Å; I146-V214 HydrophobicContact CG2-CG2 4.08Å; L209-V214 CarbonylContact C-O 3.48Å; L209-V214 VanDerWaalsContact C-O 3.23Å; L209-V214 HydrophobicContact CB-CB 4.31Å; L209-V214 HydrophobicContact CD2-CB 4.24Å; L209-V214 HydrophobicContact CD2-CG1 4.03Å; L209-V214 PolarHBondContact O-N 3.14Å; H210-V214 PolarHBondContact CD2-O 3.34Å; K212-V214 HydrophobicContact CB-CG2 4.16Å; K212-V214 PolarHBondContact O-N 3.23Å; V214-A240 HydrophobicContact CG1-CB 4Å; V214-V241 WeakPolarHBondContact CA-O 3.19Å
215	I	93.1	Very high	94.8	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.062	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.9	170.8	-50.2	168.7	0	0	0	107.4	R217 A240 V241 A243 A270 V272 D273	I215-R217 HydrophobicContact CB-CG 4.14Å; I215-R217 HydrophobicContact CG2-CG 3.52Å; I215-A240 WeakPolarHBondContact O-CA 3.4Å; I215-V241 HydrophobicContact CB-CG2 4.27Å; I215-V241 PolarHBondContact N-O 3.1Å; I215-V241 PolarHBondContact O-N 3.18Å; I215-V241 VanDerWaalsContact O-N 3.15Å; I215-A243 HydrophobicContact CD1-CB 3.92Å; I215-A243 HydrophobicContact CG1-CB 4.38Å; I215-A270 HydrophobicContact CD1-CB 4.15Å; I215-A270 HydrophobicContact CG1-CB 3.91Å; I215-V272 HydrophobicContact CG2-CG2 3.72Å; I215-D273 WeakPolarHBondContact CG2-OD2 3.23Å
216	H	93.1	Very high	94.8	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.154	C	C	.	.			trans	-74.8	-51.6	-175.5	-170.1	-83	0	0	0	112.2	L209 D218 L219 S235 D236 F237 W239 D273	L209-H216 HydrophobicContact CD1-CB 4.3Å; H216-D218 PolarHBondContact CE1-O 3.41Å; H216-D218 VanDerWaalsContact CE1-O 3.28Å; H216-D218 VanDerWaalsContact ND1-C 3.28Å; H216-D218 PolarHBondContact ND1-N 3.3Å; H216-D218 PolarHBondContact ND1-O 2.76Å; H216-D218 PolarHBondContact O-N 3.47Å; H216-L219 HydrophobicContact CB-CD1 4.45Å; H216-L219 HydrophobicContact CB-CD2 4.12Å; H216-L219 HydrophobicContact CB-CG 3.95Å; H216-L219 PolarHBondContact ND1-N 2.83Å; H216-S235 PolarHBondContact NE2-O 2.83Å; H216-S235 VanDerWaalsContact NE2-O 3.15Å; H216-D236 PolarHBondContact NE2-O 3.44Å; H216-F237 AromaticContact CD2-CD1 3.84Å; H216-F237 AromaticContact CD2-CE1 3.63Å; H216-W239 CarbonylContact O-C 3.57Å; H216-D273 PolarHBondContact N-OD1 3.28Å; H216-D273 PolarHBondContact N-OD2 3.33Å
217	R	92	Very high	94.7	Very high	20 Å²	20	34.2 Å²	34.2	8%	0.075	16%	0.155	C	C	.	.			trans	68.6	-8.2	177.4	-52.1	-166.5	-64.3	-176	-5.8	118.1	I215 W239 V272 D273	I215-R217 HydrophobicContact CB-CG 4.14Å; I215-R217 HydrophobicContact CG2-CG 3.52Å; R217-W239 HydrophobicContact CB-CB 4.5Å; R217-W239 VanDerWaalsContact CZ-O 3.23Å; R217-W239 PolarHBondContact NE-O 3.18Å; R217-W239 PolarHBondContact NH2-O 3.04Å; R217-V272 HydrophobicContact CG-CG2 3.97Å; R217-D273 PolarHBondContact N-OD1 3.24Å
218	D	90.2	Very high	94.5	Very high	25 Å²	25	41.4 Å²	41.4	13%	0.134	18%	0.179	C	C	.	.			trans	-132.9	45	176.2	-166.5	28.2	0	0	0	110.8	H216 K220 N223 W239	H216-D218 PolarHBondContact CE1-O 3.41Å; H216-D218 VanDerWaalsContact CE1-O 3.28Å; H216-D218 VanDerWaalsContact ND1-C 3.28Å; H216-D218 PolarHBondContact ND1-N 3.3Å; H216-D218 PolarHBondContact ND1-O 2.76Å; H216-D218 PolarHBondContact O-N 3.47Å; D218-K220 PolarHBondContact O-N 3.45Å; D218-K220 IonicContact OD1-NZ 2.81Å; D218-K220 PolarHBondContact OD1-NZ 2.78Å; D218-K220 IonicContact OD2-NZ 3.46Å; D218-K220 PolarHBondContact OD2-NZ 3.01Å; D218-N223 VanDerWaalsContact CG-ND2 3.28Å; D218-N223 PolarHBondContact O-ND2 3.33Å; D218-N223 PolarHBondContact OD2-ND2 2.93Å; D218-W239 HydrophobicContact CB-CB 4.07Å; D218-W239 HydrophobicContact CB-CG 4.11Å
219	L	94.4	Very high	94.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.2	C	C	.	.			trans	-74	115	174.8	-71.6	174.4	0	0	0	109.2	V206 H216 I234 Y257 D273 L280	V206-L219 HydrophobicContact CG2-CD1 3.67Å; H216-L219 HydrophobicContact CB-CD1 4.45Å; H216-L219 HydrophobicContact CB-CD2 4.12Å; H216-L219 HydrophobicContact CB-CG 3.95Å; H216-L219 PolarHBondContact ND1-N 2.83Å; L219-I234 HydrophobicContact CD2-CD1 4.09Å; L219-I234 HydrophobicContact CD2-CG2 3.99Å; L219-Y257 VanDerWaalsContact O-CD1 3.23Å; L219-Y257 WeakPolarHBondContact O-CD1 3.49Å; L219-D273 HydrophobicContact CD1-CB 3.83Å; L219-L280 HydrophobicContact CB-CD1 4.2Å
220	K	93.1	Very high	94.3	Very high	26 Å²	26	45.4 Å²	45.4	11%	0.113	21%	0.207	C	C	.	.			trans	-155.2	163.6	177.3	61.1	-178.2	-180	-126.8	0	110.2	D218 E222 N223 I224 Y257	D218-K220 PolarHBondContact O-N 3.45Å; D218-K220 IonicContact OD1-NZ 2.81Å; D218-K220 PolarHBondContact OD1-NZ 2.78Å; D218-K220 IonicContact OD2-NZ 3.46Å; D218-K220 PolarHBondContact OD2-NZ 3.01Å; K220-E222 WeakPolarHBondContact CB-OE2 3.45Å; K220-E222 WeakPolarHBondContact CD-OE2 3.16Å; K220-E222 HydrophobicContact CG-CB 4.44Å; K220-E222 VanDerWaalsContact CG-OE2 3.27Å; K220-E222 WeakPolarHBondContact CG-OE2 3.29Å; K220-E222 PolarHBondContact O-N 3.49Å; K220-N223 WeakPolarHBondContact CE-ND2 3.34Å; K220-N223 HydrophobicContact CG-CB 4.13Å; K220-N223 PolarHBondContact O-N 3.11Å; K220-I224 PolarHBondContact O-N 2.83Å; K220-Y257 HydrophobicContact CB-CD1 3.89Å; K220-Y257 HydrophobicContact CB-CD2 3.92Å; K220-Y257 HydrophobicContact CB-CE1 3.73Å; K220-Y257 HydrophobicContact CB-CE2 3.77Å; K220-Y257 HydrophobicContact CB-CG 3.95Å
221	L	93.9	Very high	94.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-60.6	-29.6	-173.9	-69.9	173.3	0	0	0	113.5	L180 Y181 L184 N223 I224 Y257 L280 E283 M284	L180-L221 HydrophobicContact CB-CD2 4.44Å; L180-L221 HydrophobicContact CD2-CD2 3.67Å; L180-L221 HydrophobicContact CG-CD2 3.9Å; Y181-L221 HydrophobicContact CD2-CB 4.13Å; Y181-L221 HydrophobicContact CD2-CD1 4.33Å; Y181-L221 HydrophobicContact CG-CB 4.45Å; Y181-L221 PolarHBondContact N-O 3.33Å; L184-L221 HydrophobicContact CD2-CD1 3.33Å; L221-N223 VanDerWaalsContact C-N 3.32Å; L221-I224 PolarHBondContact O-N 2.9Å; L221-Y257 WeakPolarHBondContact CG-OH 3.36Å; L221-Y257 PolarHBondContact N-OH 2.77Å; L221-L280 HydrophobicContact CD2-CD2 3.7Å; L221-L280 HydrophobicContact CG-CD2 3.79Å; L221-E283 HydrophobicContact CD1-CB 4.35Å; L221-E283 HydrophobicContact CD1-CG 3.69Å; L221-M284 HydrophobicContact CD2-CG 4.02Å
222	E	91.5	Very high	94.4	Very high	51 Å²	51	40.9 Å²	40.9	24%	0.238	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-71.3	-27.8	177.6	-54.3	96.2	128.7	0	0	112.3	Y181 K220 I224	Y181-E222 HydrophobicContact CD1-CG 4.46Å; Y181-E222 HydrophobicContact CD2-CG 4.34Å; Y181-E222 HydrophobicContact CG-CG 4.02Å; K220-E222 WeakPolarHBondContact CB-OE2 3.45Å; K220-E222 WeakPolarHBondContact CD-OE2 3.16Å; K220-E222 HydrophobicContact CG-CB 4.44Å; K220-E222 VanDerWaalsContact CG-OE2 3.27Å; K220-E222 WeakPolarHBondContact CG-OE2 3.29Å; K220-E222 PolarHBondContact O-N 3.49Å; E222-I224 VanDerWaalsContact C-N 3.34Å
223	N	94.4	Very high	94.6	Very high	14 Å²	14	36.6 Å²	36.6	8%	0.075	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-91.1	0.7	178	-72.1	-10.8	0	0	0	112.5	D218 K220 L221 S235 D236	D218-N223 VanDerWaalsContact CG-ND2 3.28Å; D218-N223 PolarHBondContact O-ND2 3.33Å; D218-N223 PolarHBondContact OD2-ND2 2.93Å; K220-N223 WeakPolarHBondContact CE-ND2 3.34Å; K220-N223 HydrophobicContact CG-CB 4.13Å; K220-N223 PolarHBondContact O-N 3.11Å; L221-N223 VanDerWaalsContact C-N 3.32Å; N223-S235 WeakPolarHBondContact O-CA 3.46Å; N223-S235 PolarHBondContact O-N 3.08Å; N223-S235 PolarHBondContact O-OG 2.89Å; N223-D236 HydrophobicContact CB-CB 4.48Å
224	I	96.8	Very high	94.8	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.3	175.5	-65	173.3	0	0	0	108.6	L180 V202 K220 L221 E222 I232 L280	L180-I224 HydrophobicContact CB-CB 4.15Å; L180-I224 HydrophobicContact CB-CG2 3.93Å; L180-I224 WeakPolarHBondContact CB-O 3.44Å; L180-I224 HydrophobicContact CD2-CB 4.28Å; L180-I224 HydrophobicContact CD2-CG2 3.7Å; L180-I224 HydrophobicContact CG-CG2 4.46Å; L180-I224 PolarHBondContact N-O 3.37Å; V202-I224 HydrophobicContact CG2-CD1 4.1Å; K220-I224 PolarHBondContact O-N 2.83Å; L221-I224 PolarHBondContact O-N 2.9Å; E222-I224 VanDerWaalsContact C-N 3.34Å; I224-I232 HydrophobicContact CG2-CD1 3.57Å; I224-I232 HydrophobicContact CG2-CG2 3.99Å; I224-L280 HydrophobicContact CD1-CD1 3.75Å; I224-L280 HydrophobicContact CD1-CD2 3.87Å
225	L	97.5	Very high	94.8	Very high	30 Å²	30	30.2 Å²	30.2	16%	0.157	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	165	179.2	-51.1	179.5	0	0	0	111.5	L156 A175 G178 E179 I232 K233	L156-L225 HydrophobicContact CD1-CD1 4.2Å; L156-L225 HydrophobicContact CD2-CD1 4.05Å; A175-L225 HydrophobicContact CB-CB 3.45Å; A175-L225 VanDerWaalsContact CB-CB 3.45Å; A175-L225 HydrophobicContact CB-CD1 3.81Å; A175-L225 HydrophobicContact CB-CG 4.26Å; G178-L225 CarbonylContact O-C 3.55Å; G178-L225 VanDerWaalsContact O-CA 3.25Å; G178-L225 WeakPolarHBondContact O-CA 3.03Å; E179-L225 HydrophobicContact CB-CD2 4.23Å; E179-L225 HydrophobicContact CG-CD2 3.6Å; L225-I232 CarbonylContact O-C 3.51Å; L225-K233 HydrophobicContact CB-CB 4.25Å; L225-K233 PolarHBondContact N-O 3.04Å; L225-K233 PolarHBondContact O-N 3.02Å
226	L	97.8	Very high	94.4	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.8	175.2	-68.3	173.6	0	0	0	111.1	A175 A176 K177 G178 L180 R183 Y198 K231 I232	A175-L226 CarbonylContact C-O 3.59Å; A175-L226 WeakPolarHBondContact CA-O 3.44Å; A175-L226 WeakPolarHBondContact CB-O 3.31Å; A176-L226 PolarHBondContact N-O 3.43Å; K177-L226 HydrophobicContact CB-CB 3.55Å; K177-L226 PolarHBondContact N-O 3.41Å; G178-L226 PolarHBondContact O-N 3.11Å; L180-L226 HydrophobicContact CD1-CD1 4.01Å; L180-L226 HydrophobicContact CD1-CD2 4.33Å; L180-L226 HydrophobicContact CD1-CG 4.3Å; R183-L226 HydrophobicContact CB-CD1 4.3Å; R183-L226 HydrophobicContact CG-CD1 4.26Å; Y198-L226 HydrophobicContact CE1-CD2 3.85Å; L226-K231 WeakPolarHBondContact CA-O 3.37Å; L226-I232 HydrophobicContact CD2-CD1 3.99Å
227	S	96.5	Very high	93.8	Very high	5 Å²	5	32.2 Å²	32.2	4%	0.035	15%	0.152	C	C	.	.			trans	-66.4	174.8	172.5	65.3	0	0	0	0	111.9	K177 D229 G230 K231	K177-S227 WeakPolarHBondContact CD-O 3.35Å; K177-S227 WeakPolarHBondContact CG-O 3.29Å; S227-D229 VanDerWaalsContact C-N 3.28Å; S227-D229 VanDerWaalsContact CB-OD1 3.25Å; S227-D229 WeakPolarHBondContact CB-OD1 3.3Å; S227-D229 PolarHBondContact O-N 3.2Å; S227-D229 PolarHBondContact OG-OD1 3.31Å; S227-G230 PolarHBondContact O-N 3.2Å; S227-G230 PolarHBondContact OG-N 3.31Å; S227-K231 PolarHBondContact N-O 2.93Å; S227-K231 WeakPolarHBondContact OG-CA 3.47Å; S227-K231 WeakPolarHBondContact OG-CB 3.33Å; S227-K231 PolarHBondContact OG-N 3.23Å; S227-K231 PolarHBondContact OG-O 3.35Å
228	R	94.7	Very high	92.6	Very high	193 Å²	193	31.6 Å²	31.6	73%	0.728	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-40.9	178	-177.1	-179.3	175.6	-167	-1.1	112.7	A176 K177 G230	A176-R228 HydrophobicContact CB-CB 4.05Å; K177-R228 WeakPolarHBondContact CE-O 3.47Å; K177-R228 PolarHBondContact NZ-O 3.11Å; R228-G230 VanDerWaalsContact C-N 3.26Å; R228-G230 PolarHBondContact O-N 2.7Å
229	D	94.5	Very high	91.6	Very high	115 Å²	115	32.8 Å²	32.8	62%	0.615	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-0.6	176.6	58.2	-36.1	0	0	0	113.4	S227 K231	S227-D229 VanDerWaalsContact C-N 3.28Å; S227-D229 VanDerWaalsContact CB-OD1 3.25Å; S227-D229 WeakPolarHBondContact CB-OD1 3.3Å; S227-D229 PolarHBondContact O-N 3.2Å; S227-D229 PolarHBondContact OG-OD1 3.31Å; D229-K231 WeakPolarHBondContact OD2-CG 3.05Å
230	G	94.9	Very high	89.7	Confident	14 Å²	14	32.9 Å²	32.9	14%	0.144	16%	0.156	C	C	.	.	S	Bend	trans	81.7	22.5	176.8	0	0	0	0	0	114.7	S227 R228	S227-G230 PolarHBondContact O-N 3.2Å; S227-G230 PolarHBondContact OG-N 3.31Å; R228-G230 VanDerWaalsContact C-N 3.26Å; R228-G230 PolarHBondContact O-N 2.7Å
231	K	96.9	Very high	88.2	Confident	94 Å²	94	32.1 Å²	32.1	41%	0.409	15%	0.153	S	C	.	.			trans	-85.1	149.1	172.2	-58.7	-65.8	-177.7	179.1	0	110.7	L226 S227 D229	L226-K231 WeakPolarHBondContact CA-O 3.37Å; S227-K231 PolarHBondContact N-O 2.93Å; S227-K231 WeakPolarHBondContact OG-CA 3.47Å; S227-K231 WeakPolarHBondContact OG-CB 3.33Å; S227-K231 PolarHBondContact OG-N 3.23Å; S227-K231 PolarHBondContact OG-O 3.35Å; D229-K231 WeakPolarHBondContact OD2-CG 3.05Å
232	I	98.1	Very high	86.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	140.9	178.3	-69.3	-68.8	0	0	0	110.3	N154 L180 Y198 Q201 V202 I224 L225 L226 I234	N154-I232 WeakPolarHBondContact CA-O 3.42Å; N154-I232 HydrophobicContact CB-CG2 4.49Å; N154-I232 PolarHBondContact ND2-O 2.73Å; L180-I232 HydrophobicContact CD2-CD1 3.96Å; Y198-I232 HydrophobicContact CD1-CD1 3.56Å; Y198-I232 HydrophobicContact CD1-CG1 3.62Å; Y198-I232 HydrophobicContact CE1-CD1 4.1Å; Y198-I232 HydrophobicContact CE1-CG1 4.32Å; Y198-I232 HydrophobicContact CG-CD1 3.82Å; Y198-I232 HydrophobicContact CG-CG1 4.19Å; Q201-I232 HydrophobicContact CB-CB 3.84Å; Q201-I232 HydrophobicContact CB-CG1 3.93Å; Q201-I232 HydrophobicContact CB-CG2 4.41Å; V202-I232 HydrophobicContact CG2-CD1 4.45Å; V202-I232 HydrophobicContact CG2-CG1 4.37Å; V202-I232 HydrophobicContact CG2-CG2 3.73Å; I224-I232 HydrophobicContact CG2-CD1 3.57Å; I224-I232 HydrophobicContact CG2-CG2 3.99Å; L225-I232 CarbonylContact O-C 3.51Å; L226-I232 HydrophobicContact CD2-CD1 3.99Å; I232-I234 HydrophobicContact CG2-CG1 4.42Å
233	K	98.1	Very high	84	Confident	20 Å²	20	36.7 Å²	36.7	9%	0.087	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	100.8	171.7	-64.4	-68.2	-176.6	164.1	0	109.4	P153 L156 E173 L225 S235	P153-K233 WeakPolarHBondContact O-CD 3.33Å; P153-K233 WeakPolarHBondContact O-CE 3.41Å; P153-K233 PolarHBondContact O-NZ 3.37Å; L156-K233 HydrophobicContact CB-CB 4.36Å; L156-K233 HydrophobicContact CD1-CB 3.96Å; L156-K233 HydrophobicContact CD1-CG 4.34Å; E173-K233 WeakPolarHBondContact OE1-CE 3.48Å; E173-K233 IonicContact OE1-NZ 2.79Å; E173-K233 PolarHBondContact OE1-NZ 3.48Å; E173-K233 IonicContact OE2-NZ 3.96Å; E173-K233 PolarHBondContact OE2-NZ 2.87Å; L225-K233 HydrophobicContact CB-CB 4.25Å; L225-K233 PolarHBondContact N-O 3.04Å; L225-K233 PolarHBondContact O-N 3.02Å; K233-S235 PolarHBondContact O-N 3.04Å
234	I	97.4	Very high	81.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130.3	172	-60	-177.9	0	0	0	108.8	N154 L156 V202 A205 V206 L219 I232 F237	N154-I234 PolarHBondContact O-N 3.09Å; L156-I234 WeakPolarHBondContact CB-O 3.37Å; L156-I234 PolarHBondContact N-O 3.35Å; V202-I234 HydrophobicContact CG1-CD1 4.05Å; A205-I234 HydrophobicContact CB-CD1 3.52Å; A205-I234 HydrophobicContact CB-CG1 4.24Å; V206-I234 HydrophobicContact CG2-CD1 4.07Å; L219-I234 HydrophobicContact CD2-CD1 4.09Å; L219-I234 HydrophobicContact CD2-CG2 3.99Å; I232-I234 HydrophobicContact CG2-CG1 4.42Å; I234-F237 HydrophobicContact CG2-CZ 4.14Å
235	S	92.8	Very high	78.5	Confident	11 Å²	11	46.6 Å²	46.6	8%	0.077	25%	0.249	C	C	.	.			trans	-130.8	176.2	-177.3	74.7	0	0	0	0	111.2	H216 N223 K233	H216-S235 PolarHBondContact NE2-O 2.83Å; H216-S235 VanDerWaalsContact NE2-O 3.15Å; N223-S235 WeakPolarHBondContact O-CA 3.46Å; N223-S235 PolarHBondContact O-N 3.08Å; N223-S235 PolarHBondContact O-OG 2.89Å; K233-S235 PolarHBondContact O-N 3.04Å
236	D	83.3	Confident	75.5	Confident	53 Å²	53	47.6 Å²	47.6	28%	0.283	26%	0.259	S	S	.	.			trans	57.3	75.1	179.2	-154.2	-13.9	0	0	0	115.6	H216 N223 G238	H216-D236 PolarHBondContact NE2-O 3.44Å; N223-D236 HydrophobicContact CB-CB 4.48Å; D236-G238 PolarHBondContact O-N 3.14Å; D236-G238 PolarHBondContact OD1-N 3.23Å; D236-G238 VanDerWaalsContact OD1-N 3.12Å
237	F	80.3	Confident	72.5	Confident	1 Å²	1	56.8 Å²	56.8	0%	0.004	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-81	16.4	173	-64.5	-86.9	0	0	0	112.9	E143 I146 Q147 L150 I155 L209 H216 I234 W239 A240	E143-F237 HydrophobicContact CG-CB 4.26Å; I146-F237 HydrophobicContact CG2-CD1 4.38Å; Q147-F237 HydrophobicContact CB-CD2 4.16Å; Q147-F237 HydrophobicContact CG-CD2 3.75Å; Q147-F237 HydrophobicContact CG-CE2 4.1Å; L150-F237 HydrophobicContact CD1-CD1 3.91Å; L150-F237 HydrophobicContact CD1-CD2 4.42Å; L150-F237 HydrophobicContact CD1-CE1 3.5Å; L150-F237 HydrophobicContact CD1-CE2 4.07Å; L150-F237 HydrophobicContact CD1-CG 4.36Å; L150-F237 HydrophobicContact CD1-CZ 3.6Å; I155-F237 HydrophobicContact CG2-CE2 3.71Å; I155-F237 HydrophobicContact CG2-CZ 3.51Å; L209-F237 HydrophobicContact CD1-CE1 3.92Å; L209-F237 HydrophobicContact CD2-CE1 3.67Å; L209-F237 HydrophobicContact CD2-CZ 4.33Å; L209-F237 HydrophobicContact CG-CE1 4.46Å; H216-F237 AromaticContact CD2-CD1 3.84Å; H216-F237 AromaticContact CD2-CE1 3.63Å; I234-F237 HydrophobicContact CG2-CZ 4.14Å; F237-W239 PolarHBondContact O-N 3.33Å; F237-W239 VanDerWaalsContact O-N 3.11Å; F237-A240 HydrophobicContact CB-CB 3.9Å; F237-A240 HydrophobicContact CD1-CB 3.95Å; F237-A240 HydrophobicContact CG-CB 4.45Å; F237-A240 VanDerWaalsContact O-CB 3.3Å; F237-A240 WeakPolarHBondContact O-CB 3.22Å; F237-A240 PolarHBondContact O-N 3.16Å
238	G	68	Low	69.8	Low	7 Å²	7	60.6 Å²	60.6	7%	0.072	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-57.2	-28.7	-178.9	0	0	0	0	0	112.8	Q139 D236	Q139-G238 VanDerWaalsContact CD-O 3.29Å; Q139-G238 WeakPolarHBondContact CG-O 3.25Å; Q139-G238 PolarHBondContact NE2-O 3.24Å; D236-G238 PolarHBondContact O-N 3.14Å; D236-G238 PolarHBondContact OD1-N 3.23Å; D236-G238 VanDerWaalsContact OD1-N 3.12Å
239	W	69.5	Low	67	Low	50 Å²	50	60.4 Å²	60.4	19%	0.189	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-99.5	-2.3	176.8	-61.6	103.7	0	0	0	114.1	H216 R217 D218 F237 C252	H216-W239 CarbonylContact O-C 3.57Å; R217-W239 HydrophobicContact CB-CB 4.5Å; R217-W239 VanDerWaalsContact CZ-O 3.23Å; R217-W239 PolarHBondContact NE-O 3.18Å; R217-W239 PolarHBondContact NH2-O 3.04Å; D218-W239 HydrophobicContact CB-CB 4.07Å; D218-W239 HydrophobicContact CB-CG 4.11Å; F237-W239 PolarHBondContact O-N 3.33Å; F237-W239 VanDerWaalsContact O-N 3.11Å; W239-C252 HydrophobicContact CH2-CB 4.4Å; W239-C252 HydrophobicContact CZ2-CB 4.44Å
240	A	53.3	Low	64.1	Low	2 Å²	2	59.4 Å²	59.4	2%	0.017	31%	0.313	C	S	.	.			trans	-67.9	145.8	-176.6	0	0	0	0	0	112	I146 V214 I215 F237	I146-A240 HydrophobicContact CD1-CB 3.92Å; V214-A240 HydrophobicContact CG1-CB 4Å; I215-A240 WeakPolarHBondContact O-CA 3.4Å; F237-A240 HydrophobicContact CB-CB 3.9Å; F237-A240 HydrophobicContact CD1-CB 3.95Å; F237-A240 HydrophobicContact CG-CB 4.45Å; F237-A240 VanDerWaalsContact O-CB 3.3Å; F237-A240 WeakPolarHBondContact O-CB 3.22Å; F237-A240 PolarHBondContact O-N 3.16Å
241	V	62.7	Low	61.2	Low	10 Å²	10	64 Å²	64	6%	0.061	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.8	176.5	-79.9	0	0	0	0	110.8	V214 I215 A243	V214-V241 WeakPolarHBondContact CA-O 3.19Å; I215-V241 HydrophobicContact CB-CG2 4.27Å; I215-V241 PolarHBondContact N-O 3.1Å; I215-V241 PolarHBondContact O-N 3.18Å; I215-V241 VanDerWaalsContact O-N 3.15Å; V241-A243 PolarHBondContact O-N 2.81Å
242	H	53.3	Low	58	Low	104 Å²	104	62.6 Å²	62.6	48%	0.481	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	118.5	156.8	-73.5	91	0	0	0	107.5	I146 K213	I146-H242 WeakPolarHBondContact CG1-CE1 3.25Å; I146-H242 WeakPolarHBondContact CG1-ND1 3.05Å; K213-H242 WeakPolarHBondContact O-CA 3.27Å
243	A	43.6	Very low	55.6	Low	42 Å²	42	64.9 Å²	64.9	35%	0.347	36%	0.358	S	S	.	.	S	Bend	trans	-65.6	157.9	178.8	0	0	0	0	0	111.7	K213 I215 V241	K213-A243 PolarHBondContact O-N 3.3Å; I215-A243 HydrophobicContact CD1-CB 3.92Å; I215-A243 HydrophobicContact CG1-CB 4.38Å; V241-A243 PolarHBondContact O-N 2.81Å
244	P	41.8	Very low	53.9	Low	115 Å²	115	67 Å²	67	75%	0.747	37%	0.373	S	S	*	.	S	Bend	cis	-124	155.1	10.5	36.6	-19.9	0	0	0	114.5
245	S	33.8	Very low	53.2	Low	109 Å²	109	67.5 Å²	67.5	76%	0.762	38%	0.376	S	S	*	.			trans	70.1	94.3	173.3	73.8	0	0	0	0	116.9
246	S	35.1	Very low	52.9	Low	51 Å²	51	67.7 Å²	67.7	36%	0.357	38%	0.376	S	S	.	.			trans	-139.9	98.4	162.4	163.2	0	0	0	0	107.9	R248	S246-R248 PolarHBondContact O-N 2.94Å
247	R	33	Very low	53.2	Low	196 Å²	196	65.6 Å²	65.6	74%	0.74	36%	0.364	S	S	*	.			trans	-52.1	128.6	161	-86.6	-179.6	167.2	163.7	-3.3	107.8
248	R	41.4	Very low	53.7	Low	85 Å²	85	67 Å²	67	32%	0.321	37%	0.371	S	S	.	.			trans	-131.8	127.4	162.6	-73.1	-147.5	-89.5	-172.2	-4.2	108.2	S246 T250	S246-R248 PolarHBondContact O-N 2.94Å; R248-T250 VanDerWaalsContact C-N 3.34Å
249	E	35.7	Very low	54.9	Low	189 Å²	189	66.8 Å²	66.8	88%	0.883	37%	0.368	S	S	*	.			trans	-88.9	4.1	-174	-65.9	176.3	166.2	0	0	113.2
250	T	33.7	Very low	56.1	Low	95 Å²	95	64.6 Å²	64.6	58%	0.583	36%	0.361	S	S	*	.			trans	-100	99.7	-172.8	-34	0	0	0	0	111.2	R248 C252	R248-T250 VanDerWaalsContact C-N 3.34Å; T250-C252 HydrophobicContact CG2-CB 4.39Å; T250-C252 VanDerWaalsContact CG2-SG 3.53Å; T250-C252 PolarHBondContact O-N 3.22Å
251	L	33.2	Very low	58	Low	109 Å²	109	64.7 Å²	64.7	57%	0.571	36%	0.361	S	S	*	.			trans	-63.9	96.9	159.7	-96.3	111.3	0	0	0	108.5	V255 L258	L251-V255 HydrophobicContact CD2-CG1 4.1Å; L251-L258 HydrophobicContact CD2-CD1 4Å; L251-L258 HydrophobicContact CG-CD1 4.45Å
252	C	30.1	Very low	59.4	Low	66 Å²	66	66.4 Å²	66.4	45%	0.446	37%	0.369	S	S	.	.			trans	-134.2	103.4	170.6	-83.2	0	0	0	0	108.4	W239 T250	W239-C252 HydrophobicContact CH2-CB 4.4Å; W239-C252 HydrophobicContact CZ2-CB 4.44Å; T250-C252 HydrophobicContact CG2-CB 4.39Å; T250-C252 VanDerWaalsContact CG2-SG 3.53Å; T250-C252 PolarHBondContact O-N 3.22Å
253	G	48.4	Very low	61.1	Low	47 Å²	47	62.6 Å²	62.6	49%	0.485	35%	0.353	S	S	.	.	S	Bend	trans	155.7	165.7	178.6	0	0	0	0	0	112	V255	G253-V255 PolarHBondContact O-N 2.94Å; G253-V255 VanDerWaalsContact O-N 3.12Å
254	T	61.4	Low	63.2	Low	66 Å²	66	62.7 Å²	62.7	41%	0.405	36%	0.358	S	S	.	.			trans	-58.2	110.8	168.4	-53.4	0	0	0	0	108.2	D256	T254-D256 HydrophobicContact CG2-CB 4.12Å; T254-D256 WeakPolarHBondContact CG2-OD2 3.44Å; T254-D256 PolarHBondContact O-N 2.88Å; T254-D256 VanDerWaalsContact O-N 3.08Å
255	V	82.6	Confident	65.3	Low	10 Å²	10	60.2 Å²	60.2	6%	0.061	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-61.3	-20.4	-171.7	-69.6	0	0	0	0	113.1	L251 G253 Y257 L258 Q296 T299 I303	L251-V255 HydrophobicContact CD2-CG1 4.1Å; G253-V255 PolarHBondContact O-N 2.94Å; G253-V255 VanDerWaalsContact O-N 3.12Å; V255-Y257 PolarHBondContact O-N 2.96Å; V255-Y257 VanDerWaalsContact O-N 3.11Å; V255-L258 HydrophobicContact CG1-CD1 4.38Å; V255-L258 WeakPolarHBondContact O-CB 3.26Å; V255-L258 PolarHBondContact O-N 3.11Å; V255-Q296 HydrophobicContact CG2-CG 4.42Å; V255-T299 HydrophobicContact CG2-CG2 3.78Å; V255-I303 WeakPolarHBondContact O-CD1 3.42Å
256	D	86.5	Confident	67.8	Low	14 Å²	14	60.5 Å²	60.5	8%	0.075	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-61.3	-21.5	-173.1	-54.7	-86.9	0	0	0	114.6	T254 P289 Y292 T299	T254-D256 HydrophobicContact CG2-CB 4.12Å; T254-D256 WeakPolarHBondContact CG2-OD2 3.44Å; T254-D256 PolarHBondContact O-N 2.88Å; T254-D256 VanDerWaalsContact O-N 3.08Å; D256-P289 HydrophobicContact CB-CB 3.78Å; D256-P289 HydrophobicContact CB-CG 3.94Å; D256-Y292 WeakPolarHBondContact OD1-CA 3.39Å; D256-T299 WeakPolarHBondContact OD1-CG2 3.41Å
257	Y	89.4	Confident	70.2	Confident	10 Å²	10	65 Å²	65	4%	0.039	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-100.2	-8.4	178.6	-73.2	-95.7	0	0	0	114.1	L219 K220 L221 V255 V279 L280 E283	L219-Y257 VanDerWaalsContact O-CD1 3.23Å; L219-Y257 WeakPolarHBondContact O-CD1 3.49Å; K220-Y257 HydrophobicContact CB-CD1 3.89Å; K220-Y257 HydrophobicContact CB-CD2 3.92Å; K220-Y257 HydrophobicContact CB-CE1 3.73Å; K220-Y257 HydrophobicContact CB-CE2 3.77Å; K220-Y257 HydrophobicContact CB-CG 3.95Å; L221-Y257 WeakPolarHBondContact CG-OH 3.36Å; L221-Y257 PolarHBondContact N-OH 2.77Å; V255-Y257 PolarHBondContact O-N 2.96Å; V255-Y257 VanDerWaalsContact O-N 3.11Å; Y257-V279 HydrophobicContact CD1-CB 3.89Å; Y257-V279 HydrophobicContact CD1-CG1 3.38Å; Y257-V279 HydrophobicContact CD2-CG1 4.35Å; Y257-V279 HydrophobicContact CE1-CB 4.23Å; Y257-V279 HydrophobicContact CE1-CG1 3.53Å; Y257-V279 HydrophobicContact CE2-CG1 4.47Å; Y257-V279 HydrophobicContact CG-CG1 3.85Å; Y257-L280 HydrophobicContact CE1-CD2 3.83Å; Y257-L280 HydrophobicContact CE1-CG 3.99Å; Y257-E283 PolarHBondContact OH-OE2 2.73Å
258	L	90.7	Very high	72.8	Confident	30 Å²	30	57.6 Å²	57.6	16%	0.157	33%	0.333	C	S	.	.			trans	-72.3	134.2	-176.5	-67.2	179.8	0	0	0	110.2	L251 V255 M262 V263 W275 I303	L251-L258 HydrophobicContact CD2-CD1 4Å; L251-L258 HydrophobicContact CG-CD1 4.45Å; V255-L258 HydrophobicContact CG1-CD1 4.38Å; V255-L258 WeakPolarHBondContact O-CB 3.26Å; V255-L258 PolarHBondContact O-N 3.11Å; L258-M262 HydrophobicContact CD2-CE 3.94Å; L258-M262 HydrophobicContact CD2-SD 4.37Å; L258-V263 HydrophobicContact CB-CG2 3.73Å; L258-V263 HydrophobicContact CD1-CG2 4.42Å; L258-W275 PolarHBondContact O-NE1 3.05Å; L258-I303 WeakPolarHBondContact O-CG2 3.25Å
259	P	93.7	Very high	75.2	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.013	33%	0.333	C	S	.	.			trans	-74.2	157.6	173.4	33.8	-38.2	0	0	0	111.5	E261 M262 V263 V272 W275	P259-E261 HydrophobicContact CB-CG 4.45Å; P259-E261 WeakPolarHBondContact CB-OE2 3.43Å; P259-E261 HydrophobicContact CG-CG 4.33Å; P259-E261 PolarHBondContact O-N 3.25Å; P259-M262 HydrophobicContact CG-CB 3.94Å; P259-M262 HydrophobicContact CG-CG 3.68Å; P259-M262 HydrophobicContact CG-SD 3.72Å; P259-M262 PolarHBondContact O-N 3.31Å; P259-V263 PolarHBondContact O-N 3.36Å; P259-V272 HydrophobicContact CG-CB 3.86Å; P259-V272 HydrophobicContact CG-CG1 3.73Å; P259-W275 HydrophobicContact CB-CB 3.78Å; P259-W275 HydrophobicContact CB-CD2 4.02Å; P259-W275 HydrophobicContact CB-CG 3.55Å
260	P	95.1	Very high	78	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.032	30%	0.302	C	S	.	.	H	α-helix	trans	-57.9	-34.3	-176.1	22.6	-33.6	0	0	0	112.9	M262 V263 G264 W275 I303 L304 L328	P260-M262 VanDerWaalsContact C-N 3.33Å; P260-M262 PolarHBondContact O-N 2.88Å; P260-V263 PolarHBondContact O-N 2.96Å; P260-G264 PolarHBondContact O-N 3.28Å; P260-W275 HydrophobicContact CG-CE3 4.46Å; P260-W275 HydrophobicContact CG-CH2 4.25Å; P260-W275 HydrophobicContact CG-CZ3 4.08Å; P260-I303 HydrophobicContact CB-CG2 4.25Å; P260-L304 HydrophobicContact CB-CD2 4.39Å; P260-L328 HydrophobicContact CB-CD2 4.24Å; P260-L328 HydrophobicContact CG-CD2 4.2Å
261	E	93.5	Very high	81	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.019	29%	0.287	C	S	.	.	H	α-helix	trans	-66.4	-30	175.5	64.5	-87.4	-159.1	0	0	114	P259 G265 M266 H268 V272 P330 R333	P259-E261 HydrophobicContact CB-CG 4.45Å; P259-E261 WeakPolarHBondContact CB-OE2 3.43Å; P259-E261 HydrophobicContact CG-CG 4.33Å; P259-E261 PolarHBondContact O-N 3.25Å; E261-G265 PolarHBondContact O-N 2.8Å; E261-M266 HydrophobicContact CB-CB 4.08Å; E261-M266 HydrophobicContact CB-CE 3.87Å; E261-M266 WeakPolarHBondContact O-CA 3.48Å; E261-M266 WeakPolarHBondContact O-CB 3.32Å; E261-M266 PolarHBondContact O-N 2.98Å; E261-H268 HydrophobicContact CG-CB 3.78Å; E261-V272 HydrophobicContact CG-CG1 4.39Å; E261-P330 HydrophobicContact CG-CG 4.35Å; E261-R333 IonicContact OE1-CZ 3.73Å; E261-R333 IonicContact OE1-NH1 2.89Å; E261-R333 PolarHBondContact OE1-NH1 2.75Å; E261-R333 IonicContact OE1-NH2 3.87Å; E261-R333 PolarHBondContact OE1-NH2 2.97Å; E261-R333 IonicContact OE2-CZ 3.16Å; E261-R333 IonicContact OE2-NH1 3.85Å; E261-R333 IonicContact OE2-NH2 2.68Å; E261-R333 PolarHBondContact OE2-NH2 3.32Å
262	M	90.8	Very high	83.9	Confident	45 Å²	45	42.3 Å²	42.3	22%	0.222	26%	0.26	C	S	.	.	H	α-helix	trans	-79.9	-39.7	173.8	-72	-178.2	69.7	0	0	111.3	L258 P259 P260 G264 G265 H268 V272	L258-M262 HydrophobicContact CD2-CE 3.94Å; L258-M262 HydrophobicContact CD2-SD 4.37Å; P259-M262 HydrophobicContact CG-CB 3.94Å; P259-M262 HydrophobicContact CG-CG 3.68Å; P259-M262 HydrophobicContact CG-SD 3.72Å; P259-M262 PolarHBondContact O-N 3.31Å; P260-M262 VanDerWaalsContact C-N 3.33Å; P260-M262 PolarHBondContact O-N 2.88Å; M262-G264 VanDerWaalsContact C-N 3.31Å; M262-G264 PolarHBondContact O-N 2.88Å; M262-G265 PolarHBondContact O-N 2.82Å; M262-H268 HydrophobicContact CG-CB 4.35Å; M262-V272 HydrophobicContact CG-CG1 4.26Å; M262-V272 HydrophobicContact SD-CB 4.27Å; M262-V272 HydrophobicContact SD-CG1 3.99Å
263	V	89.5	Confident	87.1	Confident	24 Å²	24	39.2 Å²	39.2	15%	0.145	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-39.8	175.6	178.2	0	0	0	0	111	L258 P259 P260 G265 C300 I303 L304	L258-V263 HydrophobicContact CB-CG2 3.73Å; L258-V263 HydrophobicContact CD1-CG2 4.42Å; P259-V263 PolarHBondContact O-N 3.36Å; P260-V263 PolarHBondContact O-N 2.96Å; V263-G265 VanDerWaalsContact C-N 3.27Å; V263-G265 PolarHBondContact O-N 2.92Å; V263-C300 HydrophobicContact CG1-CB 3.92Å; V263-I303 HydrophobicContact CB-CG2 4.47Å; V263-I303 HydrophobicContact CG2-CD1 4.38Å; V263-I303 HydrophobicContact CG2-CG2 3.86Å; V263-L304 HydrophobicContact CB-CD2 4.12Å; V263-L304 HydrophobicContact CB-CG 4.43Å; V263-L304 HydrophobicContact CG1-CD1 4.04Å; V263-L304 HydrophobicContact CG1-CD2 3.99Å; V263-L304 HydrophobicContact CG1-CG 3.86Å
264	G	88.1	Confident	89.5	Confident	45 Å²	45	37.2 Å²	37.2	46%	0.464	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	0.3	177.2	0	0	0	0	0	115.1	P260 M262 M266	P260-G264 PolarHBondContact O-N 3.28Å; M262-G264 VanDerWaalsContact C-N 3.31Å; M262-G264 PolarHBondContact O-N 2.88Å; G264-M266 PolarHBondContact O-N 3.37Å
265	G	85.5	Confident	91.2	Very high	62 Å²	62	34.1 Å²	34.1	64%	0.639	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	21	-178.9	0	0	0	0	0	114.6	E261 M262 V263	E261-G265 PolarHBondContact O-N 2.8Å; M262-G265 PolarHBondContact O-N 2.82Å; V263-G265 VanDerWaalsContact C-N 3.27Å; V263-G265 PolarHBondContact O-N 2.92Å
266	M	86.7	Confident	91.9	Very high	115 Å²	115	33.8 Å²	33.8	57%	0.567	20%	0.196	S	C	*	.			trans	-79.8	164	178.7	-58.5	-169.4	-74.3	0	0	111.3	E261 G264	E261-M266 HydrophobicContact CB-CB 4.08Å; E261-M266 HydrophobicContact CB-CE 3.87Å; E261-M266 WeakPolarHBondContact O-CA 3.48Å; E261-M266 WeakPolarHBondContact O-CB 3.32Å; E261-M266 PolarHBondContact O-N 2.98Å; G264-M266 PolarHBondContact O-N 3.37Å
267	Q	86	Confident	92.5	Very high	147 Å²	147	33.1 Å²	33.1	69%	0.687	19%	0.193	S	C	*	.			trans	-65.4	146	169.1	-64.7	-172.1	14.2	0	0	109.5
268	H	87.2	Confident	92.9	Very high	39 Å²	39	32.7 Å²	32.7	18%	0.181	19%	0.191	C	C	.	.			trans	-142.1	154.8	-176	60.2	-93.3	0	0	0	110.5	E261 M262 V272	E261-H268 HydrophobicContact CG-CB 3.78Å; M262-H268 HydrophobicContact CG-CB 4.35Å; H268-V272 HydrophobicContact CB-CG1 3.57Å
269	D	91.7	Very high	93.2	Very high	61 Å²	61	31.2 Å²	31.2	33%	0.326	18%	0.183	S	C	.	.			trans	-130.2	-155	179.9	67.3	15.1	0	0	0	111.1	R271 V272	D269-R271 VanDerWaalsContact CG-NE 3.26Å; D269-R271 PolarHBondContact O-N 3.33Å; D269-R271 VanDerWaalsContact O-N 3.14Å; D269-R271 VanDerWaalsContact OD1-CB 3.26Å; D269-R271 WeakPolarHBondContact OD1-CB 3.35Å; D269-R271 WeakPolarHBondContact OD1-CG 3.39Å; D269-R271 IonicContact OD1-CZ 3.3Å; D269-R271 PolarHBondContact OD1-N 3.3Å; D269-R271 IonicContact OD1-NE 4Å; D269-R271 PolarHBondContact OD1-NE 2.81Å; D269-R271 IonicContact OD1-NH2 3.97Å; D269-R271 IonicContact OD2-CZ 3.85Å; D269-R271 IonicContact OD2-NE 2.76Å; D269-R271 PolarHBondContact OD2-NE 3.14Å; D269-R271 IonicContact OD2-NH2 3.4Å; D269-R271 PolarHBondContact OD2-NH2 3.18Å; D269-V272 WeakPolarHBondContact O-CG1 3.23Å; D269-V272 VanDerWaalsContact O-CG2 3.26Å; D269-V272 WeakPolarHBondContact O-CG2 3.37Å; D269-V272 PolarHBondContact O-N 3.4Å
270	A	94.1	Very high	93.4	Very high	28 Å²	28	31.2 Å²	31.2	23%	0.231	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.9	-177	0	0	0	0	0	113.8	H210 I215 V272 D273	H210-A270 PolarHBondContact CE1-O 2.47Å; I215-A270 HydrophobicContact CD1-CB 4.15Å; I215-A270 HydrophobicContact CG1-CB 3.91Å; A270-V272 PolarHBondContact O-N 3.38Å; A270-D273 PolarHBondContact O-N 3.37Å; A270-D273 VanDerWaalsContact O-N 3.12Å
271	R	96.1	Very high	93.6	Very high	68 Å²	68	31 Å²	31	26%	0.257	18%	0.181	S	C	.	.	H	α-helix	trans	-69.9	-11.5	-178	-66	171.4	-78.6	171.4	-11.3	114	D269 D273 I274 W275 P330 D331 R333	D269-R271 VanDerWaalsContact CG-NE 3.26Å; D269-R271 PolarHBondContact O-N 3.33Å; D269-R271 VanDerWaalsContact O-N 3.14Å; D269-R271 VanDerWaalsContact OD1-CB 3.26Å; D269-R271 WeakPolarHBondContact OD1-CB 3.35Å; D269-R271 WeakPolarHBondContact OD1-CG 3.39Å; D269-R271 IonicContact OD1-CZ 3.3Å; D269-R271 PolarHBondContact OD1-N 3.3Å; D269-R271 IonicContact OD1-NE 4Å; D269-R271 PolarHBondContact OD1-NE 2.81Å; D269-R271 IonicContact OD1-NH2 3.97Å; D269-R271 IonicContact OD2-CZ 3.85Å; D269-R271 IonicContact OD2-NE 2.76Å; D269-R271 PolarHBondContact OD2-NE 3.14Å; D269-R271 IonicContact OD2-NH2 3.4Å; D269-R271 PolarHBondContact OD2-NH2 3.18Å; R271-D273 PolarHBondContact O-N 3.19Å; R271-I274 WeakPolarHBondContact O-CB 3.42Å; R271-I274 PolarHBondContact O-N 3.23Å; R271-W275 PolarHBondContact O-N 3.26Å; R271-P330 HydrophobicContact CB-CB 4.03Å; R271-P330 VanDerWaalsContact CD-O 3.23Å; R271-P330 WeakPolarHBondContact CD-O 3.37Å; R271-D331 IonicContact CZ-OD1 3.24Å; R271-D331 IonicContact NH1-OD1 2.72Å; R271-D331 PolarHBondContact NH1-OD1 2.82Å; R271-D331 IonicContact NH1-OD2 3.16Å; R271-D331 IonicContact NH2-OD1 3.81Å; R271-R333 PolarHBondContact O-NH1 2.81Å
272	V	95.1	Very high	93.8	Very high	1 Å²	1	32 Å²	32	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-36.9	168.7	-59	0	0	0	0	111.7	I215 R217 P259 E261 M262 H268 D269 A270 I274 W275 S276	I215-V272 HydrophobicContact CG2-CG2 3.72Å; R217-V272 HydrophobicContact CG-CG2 3.97Å; P259-V272 HydrophobicContact CG-CB 3.86Å; P259-V272 HydrophobicContact CG-CG1 3.73Å; E261-V272 HydrophobicContact CG-CG1 4.39Å; M262-V272 HydrophobicContact CG-CG1 4.26Å; M262-V272 HydrophobicContact SD-CB 4.27Å; M262-V272 HydrophobicContact SD-CG1 3.99Å; H268-V272 HydrophobicContact CB-CG1 3.57Å; D269-V272 WeakPolarHBondContact O-CG1 3.23Å; D269-V272 VanDerWaalsContact O-CG2 3.26Å; D269-V272 WeakPolarHBondContact O-CG2 3.37Å; D269-V272 PolarHBondContact O-N 3.4Å; A270-V272 PolarHBondContact O-N 3.38Å; V272-I274 VanDerWaalsContact C-N 3.26Å; V272-I274 PolarHBondContact O-N 3.43Å; V272-W275 PolarHBondContact O-N 3.02Å; V272-S276 PolarHBondContact O-N 2.86Å; V272-S276 VanDerWaalsContact O-N 3.14Å; V272-S276 PolarHBondContact O-OG 3.36Å
273	D	96.7	Very high	94.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.4	-31.8	178	-69.3	-21.1	0	0	0	110.5	V206 H210 I215 H216 R217 L219 A270 R271 S276 L277	V206-D273 HydrophobicContact CG1-CB 4.01Å; H210-D273 IonicContact CD2-OD2 2.73Å; H210-D273 IonicContact CE1-OD2 3.97Å; H210-D273 IonicContact NE2-OD2 3.18Å; H210-D273 PolarHBondContact NE2-OD2 3.03Å; I215-D273 WeakPolarHBondContact CG2-OD2 3.23Å; H216-D273 PolarHBondContact N-OD1 3.28Å; H216-D273 PolarHBondContact N-OD2 3.33Å; R217-D273 PolarHBondContact N-OD1 3.24Å; L219-D273 HydrophobicContact CD1-CB 3.83Å; A270-D273 PolarHBondContact O-N 3.37Å; A270-D273 VanDerWaalsContact O-N 3.12Å; R271-D273 PolarHBondContact O-N 3.19Å; D273-S276 PolarHBondContact O-N 3.3Å; D273-L277 WeakPolarHBondContact O-CG 3.44Å; D273-L277 PolarHBondContact O-N 3.22Å
274	I	98.2	Very high	94.6	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-67.3	-40.6	177.5	-50.5	-59.1	0	0	0	111.6	R271 V272 L277 G278 L325 R333 L336 I339	R271-I274 WeakPolarHBondContact O-CB 3.42Å; R271-I274 PolarHBondContact O-N 3.23Å; V272-I274 VanDerWaalsContact C-N 3.26Å; V272-I274 PolarHBondContact O-N 3.43Å; I274-L277 HydrophobicContact CD1-CD1 4.22Å; I274-L277 WeakPolarHBondContact O-CB 3.34Å; I274-L277 PolarHBondContact O-N 2.96Å; I274-G278 PolarHBondContact O-N 2.86Å; I274-L325 HydrophobicContact CG2-CD2 3.6Å; I274-R333 HydrophobicContact CB-CB 4.42Å; I274-R333 HydrophobicContact CG2-CB 3.86Å; I274-L336 HydrophobicContact CD1-CD1 4.33Å; I274-L336 HydrophobicContact CD1-CD2 3.47Å; I274-L336 VanDerWaalsContact CD1-CD2 3.47Å; I274-L336 HydrophobicContact CD1-CG 3.64Å; I274-I339 HydrophobicContact CD1-CD1 4.08Å; I274-I339 HydrophobicContact CG2-CD1 3.93Å
275	W	98	Very high	95	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-47.5	171.6	174.4	-86.6	0	0	0	111.3	L258 P259 P260 R271 V272 L277 G278 V279 F291 I303 C306 L326	L258-W275 PolarHBondContact O-NE1 3.05Å; P259-W275 HydrophobicContact CB-CB 3.78Å; P259-W275 HydrophobicContact CB-CD2 4.02Å; P259-W275 HydrophobicContact CB-CG 3.55Å; P260-W275 HydrophobicContact CG-CE3 4.46Å; P260-W275 HydrophobicContact CG-CH2 4.25Å; P260-W275 HydrophobicContact CG-CZ3 4.08Å; R271-W275 PolarHBondContact O-N 3.26Å; V272-W275 PolarHBondContact O-N 3.02Å; W275-L277 PolarHBondContact O-N 3.22Å; W275-G278 WeakPolarHBondContact O-CA 3.36Å; W275-G278 PolarHBondContact O-N 2.88Å; W275-V279 PolarHBondContact O-N 3.14Å; W275-F291 AromaticContact CE2-CE2 3.95Å; W275-F291 HydrophobicContact CH2-CE1 4.43Å; W275-F291 AromaticContact CH2-CE2 3.85Å; W275-F291 HydrophobicContact CH2-CE2 3.85Å; W275-F291 AromaticContact CH2-CZ 3.54Å; W275-F291 HydrophobicContact CH2-CZ 3.54Å; W275-F291 HydrophobicContact CZ2-CD2 4.11Å; W275-F291 HydrophobicContact CZ2-CE1 4.47Å; W275-F291 AromaticContact CZ2-CE2 3.21Å; W275-F291 HydrophobicContact CZ2-CE2 3.21Å; W275-F291 AromaticContact CZ2-CZ 3.44Å; W275-F291 HydrophobicContact CZ2-CZ 3.44Å; W275-F291 VanDerWaalsContact CZ2-CZ 3.44Å; W275-I303 HydrophobicContact CZ2-CG2 3.98Å; W275-C306 HydrophobicContact CH2-CB 4.48Å; W275-L326 HydrophobicContact CD2-CD2 3.88Å; W275-L326 HydrophobicContact CE3-CD2 3.99Å; W275-L326 HydrophobicContact CG-CD2 4.4Å; W275-L326 HydrophobicContact CH2-CD2 4.42Å; W275-L326 HydrophobicContact CZ2-CD2 4.33Å; W275-L326 HydrophobicContact CZ3-CB 4.33Å; W275-L326 HydrophobicContact CZ3-CD2 4.25Å
276	S	97.1	Very high	95.6	Very high	4 Å²	4	26.9 Å²	26.9	3%	0.028	13%	0.134	C	C	.	.	H	α-helix	trans	-61.1	-32.6	178.8	-57.4	0	0	0	0	112.5	V272 D273 G278 V279 L280	V272-S276 PolarHBondContact O-N 2.86Å; V272-S276 VanDerWaalsContact O-N 3.14Å; V272-S276 PolarHBondContact O-OG 3.36Å; D273-S276 PolarHBondContact O-N 3.3Å; S276-G278 VanDerWaalsContact C-N 3.35Å; S276-V279 PolarHBondContact O-N 3.1Å; S276-L280 WeakPolarHBondContact O-CB 3.45Å; S276-L280 VanDerWaalsContact O-CG 3.26Å; S276-L280 WeakPolarHBondContact O-CG 3.46Å; S276-L280 PolarHBondContact O-N 3.49Å
277	L	98.3	Very high	96.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61	-40.9	170.5	-71.5	174.3	0	0	0	112.3	M199 V202 V203 D273 I274 W275 L280 M281 L325 L336 I339	M199-L277 HydrophobicContact CE-CB 4.03Å; M199-L277 HydrophobicContact CE-CD2 4.06Å; V202-L277 HydrophobicContact CB-CD2 4.3Å; V202-L277 HydrophobicContact CG1-CD2 3.47Å; V202-L277 VanDerWaalsContact CG1-CD2 3.47Å; V203-L277 HydrophobicContact CG2-CD1 4.07Å; V203-L277 HydrophobicContact CG2-CD2 4.33Å; D273-L277 WeakPolarHBondContact O-CG 3.44Å; D273-L277 PolarHBondContact O-N 3.22Å; I274-L277 HydrophobicContact CD1-CD1 4.22Å; I274-L277 WeakPolarHBondContact O-CB 3.34Å; I274-L277 PolarHBondContact O-N 2.96Å; W275-L277 PolarHBondContact O-N 3.22Å; L277-L280 PolarHBondContact O-N 3.04Å; L277-M281 WeakPolarHBondContact O-CB 3.44Å; L277-M281 PolarHBondContact O-N 3.27Å; L277-L325 HydrophobicContact CB-CD2 4.45Å; L277-L336 HydrophobicContact CD1-CD2 3.72Å; L277-I339 HydrophobicContact CD1-CD1 4.33Å
278	G	98.4	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.5	-43.6	174.9	0	0	0	0	0	112.7	I274 W275 S276 M281 Y282	I274-G278 PolarHBondContact O-N 2.86Å; W275-G278 WeakPolarHBondContact O-CA 3.36Å; W275-G278 PolarHBondContact O-N 2.88Å; S276-G278 VanDerWaalsContact C-N 3.35Å; G278-M281 PolarHBondContact O-N 3.18Å; G278-Y282 WeakPolarHBondContact O-CB 3.28Å; G278-Y282 PolarHBondContact O-N 3.5Å
279	V	98	Very high	96.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.6	-46.8	175.5	176.8	0	0	0	0	111	Y257 W275 S276 M281 Y282 E283 P289 P290 F291 L326	Y257-V279 HydrophobicContact CD1-CB 3.89Å; Y257-V279 HydrophobicContact CD1-CG1 3.38Å; Y257-V279 HydrophobicContact CD2-CG1 4.35Å; Y257-V279 HydrophobicContact CE1-CB 4.23Å; Y257-V279 HydrophobicContact CE1-CG1 3.53Å; Y257-V279 HydrophobicContact CE2-CG1 4.47Å; Y257-V279 HydrophobicContact CG-CG1 3.85Å; W275-V279 PolarHBondContact O-N 3.14Å; S276-V279 PolarHBondContact O-N 3.1Å; V279-M281 PolarHBondContact O-N 2.82Å; V279-Y282 PolarHBondContact O-N 3.04Å; V279-E283 WeakPolarHBondContact O-CB 3.35Å; V279-E283 PolarHBondContact O-N 3.17Å; V279-P289 HydrophobicContact CG1-CB 4.47Å; V279-P290 HydrophobicContact CG2-CG 4.33Å; V279-F291 HydrophobicContact CG2-CE2 4.2Å; V279-L326 HydrophobicContact CG2-CD2 3.98Å
280	L	97.7	Very high	97.1	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-57.5	-48.8	176.7	-79.5	170.1	0	0	0	112.2	L219 L221 I224 Y257 S276 L277 E283 M284	L219-L280 HydrophobicContact CB-CD1 4.2Å; L221-L280 HydrophobicContact CD2-CD2 3.7Å; L221-L280 HydrophobicContact CG-CD2 3.79Å; I224-L280 HydrophobicContact CD1-CD1 3.75Å; I224-L280 HydrophobicContact CD1-CD2 3.87Å; Y257-L280 HydrophobicContact CE1-CD2 3.83Å; Y257-L280 HydrophobicContact CE1-CG 3.99Å; S276-L280 WeakPolarHBondContact O-CB 3.45Å; S276-L280 VanDerWaalsContact O-CG 3.26Å; S276-L280 WeakPolarHBondContact O-CG 3.46Å; S276-L280 PolarHBondContact O-N 3.49Å; L277-L280 PolarHBondContact O-N 3.04Å; L280-E283 PolarHBondContact O-N 2.96Å; L280-M284 WeakPolarHBondContact O-CB 3.49Å; L280-M284 WeakPolarHBondContact O-CG 3.14Å; L280-M284 PolarHBondContact O-N 3.32Å
281	M	98.4	Very high	97.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.3	-48	179.5	-179.7	173.4	169.1	0	0	111.3	T195 M199 L277 G278 V279 E283 M284 L285 A318 L321 I322 L325 F344	T195-M281 HydrophobicContact CG2-CG 4.18Å; M199-M281 HydrophobicContact CE-CB 4.04Å; M199-M281 HydrophobicContact CG-CB 4.27Å; M199-M281 HydrophobicContact CG-CG 4.36Å; M199-M281 HydrophobicContact SD-CB 3.88Å; L277-M281 WeakPolarHBondContact O-CB 3.44Å; L277-M281 PolarHBondContact O-N 3.27Å; G278-M281 PolarHBondContact O-N 3.18Å; V279-M281 PolarHBondContact O-N 2.82Å; M281-E283 VanDerWaalsContact C-N 3.34Å; M281-E283 PolarHBondContact O-N 3.46Å; M281-M284 PolarHBondContact O-N 3.13Å; M281-L285 HydrophobicContact CE-CD1 3.86Å; M281-L285 HydrophobicContact CG-CD1 3.94Å; M281-L285 WeakPolarHBondContact O-CG 3.29Å; M281-L285 PolarHBondContact O-N 3.37Å; M281-L285 VanDerWaalsContact O-N 3.13Å; M281-A318 HydrophobicContact CE-CB 3.9Å; M281-L321 HydrophobicContact CE-CB 4.06Å; M281-L321 HydrophobicContact CE-CD2 4.06Å; M281-L321 HydrophobicContact CE-CG 4.29Å; M281-L321 HydrophobicContact SD-CB 4.18Å; M281-L321 HydrophobicContact SD-CD2 3.65Å; M281-L321 HydrophobicContact SD-CG 3.8Å; M281-I322 HydrophobicContact CE-CD1 4.38Å; M281-I322 HydrophobicContact CE-CG1 3.98Å; M281-I322 HydrophobicContact CG-CD1 4.37Å; M281-I322 HydrophobicContact CG-CG1 4.03Å; M281-I322 HydrophobicContact SD-CG1 3.93Å; M281-L325 HydrophobicContact SD-CD1 4.43Å; M281-F344 HydrophobicContact CE-CD1 3.42Å; M281-F344 VanDerWaalsContact CE-CD1 3.42Å; M281-F344 HydrophobicContact CE-CD2 4.23Å; M281-F344 HydrophobicContact CE-CE1 3.37Å; M281-F344 HydrophobicContact CE-CE2 4.2Å; M281-F344 HydrophobicContact CE-CG 3.86Å; M281-F344 HydrophobicContact CE-CZ 3.78Å; M281-F344 HydrophobicContact SD-CD1 4.3Å; M281-F344 HydrophobicContact SD-CE1 4.26Å
282	Y	98.5	Very high	97	Very high	25 Å²	25	19.7 Å²	19.7	10%	0.098	10%	0.097	C	C	.	.	H	α-helix	trans	-59.1	-46.3	177.4	-177.9	-76.6	0	0	0	111.2	G278 V279 L285 T286 K288 P290 F308 K309 I322	G278-Y282 WeakPolarHBondContact O-CB 3.28Å; G278-Y282 PolarHBondContact O-N 3.5Å; V279-Y282 PolarHBondContact O-N 3.04Å; Y282-L285 PolarHBondContact O-N 3.3Å; Y282-T286 HydrophobicContact CD1-CG2 4.13Å; Y282-T286 VanDerWaalsContact CD1-OG1 3.32Å; Y282-T286 WeakPolarHBondContact CD1-OG1 3.41Å; Y282-T286 HydrophobicContact CD2-CG2 4.48Å; Y282-T286 HydrophobicContact CE1-CG2 3.79Å; Y282-T286 WeakPolarHBondContact CE1-OG1 3.4Å; Y282-T286 HydrophobicContact CE2-CG2 4.2Å; Y282-T286 HydrophobicContact CG-CG2 4.45Å; Y282-T286 WeakPolarHBondContact O-CB 3.3Å; Y282-T286 WeakPolarHBondContact O-CG2 3.4Å; Y282-T286 PolarHBondContact O-N 3.3Å; Y282-T286 PolarHBondContact O-OG1 3.3Å; Y282-K288 WeakPolarHBondContact CD1-O 3.23Å; Y282-K288 VanDerWaalsContact CE1-O 3.22Å; Y282-K288 WeakPolarHBondContact CE1-O 3.47Å; Y282-P290 HydrophobicContact CD1-CB 3.61Å; Y282-P290 VanDerWaalsContact CD1-CD 3.46Å; Y282-P290 HydrophobicContact CD1-CG 3.92Å; Y282-P290 HydrophobicContact CD2-CB 3.84Å; Y282-P290 HydrophobicContact CD2-CG 4.48Å; Y282-P290 HydrophobicContact CE1-CB 3.76Å; Y282-P290 HydrophobicContact CE2-CB 3.95Å; Y282-P290 HydrophobicContact CG-CB 3.66Å; Y282-P290 HydrophobicContact CG-CG 3.92Å; Y282-F308 HydrophobicContact CD2-CD2 4.17Å; Y282-F308 HydrophobicContact CD2-CE2 4.37Å; Y282-F308 AromaticContact CE2-CD2 3.91Å; Y282-F308 HydrophobicContact CE2-CD2 3.91Å; Y282-F308 HydrophobicContact CE2-CE2 4.45Å; Y282-K309 WeakPolarHBondContact CE2-O 3.15Å; Y282-K309 PolarHBondContact OH-O 3.22Å; Y282-I322 HydrophobicContact CD2-CD1 4.2Å; Y282-I322 HydrophobicContact CD2-CG2 4.28Å
283	E	97.9	Very high	96.8	Very high	11 Å²	11	20.2 Å²	20.2	5%	0.051	10%	0.101	C	C	.	.	H	α-helix	trans	-67	-39.7	-178	-174	169.5	-175	0	0	112.2	L184 L221 Y257 V279 L280 M281 L285 T286 G287 K288	L184-E283 HydrophobicContact CD2-CG 3.84Å; L221-E283 HydrophobicContact CD1-CB 4.35Å; L221-E283 HydrophobicContact CD1-CG 3.69Å; Y257-E283 PolarHBondContact OH-OE2 2.73Å; V279-E283 WeakPolarHBondContact O-CB 3.35Å; V279-E283 PolarHBondContact O-N 3.17Å; L280-E283 PolarHBondContact O-N 2.96Å; M281-E283 VanDerWaalsContact C-N 3.34Å; M281-E283 PolarHBondContact O-N 3.46Å; E283-L285 VanDerWaalsContact C-N 3.28Å; E283-L285 PolarHBondContact O-N 2.98Å; E283-T286 PolarHBondContact O-N 3.39Å; E283-G287 VanDerWaalsContact O-CA 3.23Å; E283-G287 WeakPolarHBondContact O-CA 3.15Å; E283-G287 PolarHBondContact O-N 3.4Å; E283-K288 WeakPolarHBondContact CA-O 3.27Å
284	M	98.3	Very high	96.3	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.02	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-39.4	173.8	-76.2	-171.5	-70.7	0	0	112.4	L180 F190 T195 Y198 M199 L221 L280 M281	L180-M284 HydrophobicContact CD2-SD 4.15Å; F190-M284 HydrophobicContact CD2-CB 3.9Å; F190-M284 HydrophobicContact CD2-CG 3.78Å; F190-M284 HydrophobicContact CD2-SD 4.05Å; F190-M284 HydrophobicContact CE2-CG 4.06Å; F190-M284 HydrophobicContact CE2-SD 4.3Å; F190-M284 PolarHBondContact N-O 3.26Å; T195-M284 HydrophobicContact CG2-CB 3.9Å; T195-M284 HydrophobicContact CG2-CE 3.91Å; T195-M284 HydrophobicContact CG2-SD 4.46Å; Y198-M284 HydrophobicContact CD2-SD 4.1Å; M199-M284 HydrophobicContact CG-CE 3.74Å; M199-M284 HydrophobicContact SD-CE 3.47Å; M199-M284 WeakPolarHBondContact SD-CE 3.37Å; L221-M284 HydrophobicContact CD2-CG 4.02Å; L280-M284 WeakPolarHBondContact O-CB 3.49Å; L280-M284 WeakPolarHBondContact O-CG 3.14Å; L280-M284 PolarHBondContact O-N 3.32Å; M281-M284 PolarHBondContact O-N 3.13Å
285	L	98.1	Very high	95.9	Very high	15 Å²	15	29.4 Å²	29.4	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-80.3	-23.9	-177.4	-69.2	170	0	0	0	113.9	K189 E192 T195 M281 Y282 E283 M314 A318 I322 F344	K189-L285 WeakPolarHBondContact CD-O 3.5Å; E192-L285 HydrophobicContact CB-CD2 4.48Å; E192-L285 HydrophobicContact CG-CD2 3.78Å; T195-L285 HydrophobicContact CG2-CD1 4.21Å; T195-L285 HydrophobicContact CG2-CD2 3.87Å; T195-L285 HydrophobicContact CG2-CG 3.73Å; T195-L285 WeakPolarHBondContact OG1-CD2 3.32Å; M281-L285 HydrophobicContact CE-CD1 3.86Å; M281-L285 HydrophobicContact CG-CD1 3.94Å; M281-L285 WeakPolarHBondContact O-CG 3.29Å; M281-L285 PolarHBondContact O-N 3.37Å; M281-L285 VanDerWaalsContact O-N 3.13Å; Y282-L285 PolarHBondContact O-N 3.3Å; E283-L285 VanDerWaalsContact C-N 3.28Å; E283-L285 PolarHBondContact O-N 2.98Å; L285-M314 HydrophobicContact CB-CE 3.7Å; L285-M314 HydrophobicContact CD1-CE 3.65Å; L285-M314 HydrophobicContact CD1-SD 4.02Å; L285-M314 HydrophobicContact CG-CE 4.28Å; L285-A318 HydrophobicContact CD1-CB 4.16Å; L285-I322 HydrophobicContact CD1-CD1 4.15Å; L285-F344 HydrophobicContact CD1-CZ 4.43Å
286	T	97.3	Very high	95.4	Very high	40 Å²	40	35.9 Å²	35.9	25%	0.245	19%	0.187	C	C	.	.	H	α-helix	trans	-117.6	-15.6	-172.9	66.3	0	0	0	0	114.2	Y282 E283 K288 P311 M314	Y282-T286 HydrophobicContact CD1-CG2 4.13Å; Y282-T286 VanDerWaalsContact CD1-OG1 3.32Å; Y282-T286 WeakPolarHBondContact CD1-OG1 3.41Å; Y282-T286 HydrophobicContact CD2-CG2 4.48Å; Y282-T286 HydrophobicContact CE1-CG2 3.79Å; Y282-T286 WeakPolarHBondContact CE1-OG1 3.4Å; Y282-T286 HydrophobicContact CE2-CG2 4.2Å; Y282-T286 HydrophobicContact CG-CG2 4.45Å; Y282-T286 WeakPolarHBondContact O-CB 3.3Å; Y282-T286 WeakPolarHBondContact O-CG2 3.4Å; Y282-T286 PolarHBondContact O-N 3.3Å; Y282-T286 PolarHBondContact O-OG1 3.3Å; E283-T286 PolarHBondContact O-N 3.39Å; T286-K288 VanDerWaalsContact C-N 3.3Å; T286-K288 PolarHBondContact OG1-N 2.88Å; T286-K288 PolarHBondContact OG1-O 3.32Å; T286-P311 HydrophobicContact CG2-CG 3.86Å; T286-M314 HydrophobicContact CG2-CE 4.31Å
287	G	96.1	Very high	95.1	Very high	23 Å²	23	45 Å²	45	24%	0.237	22%	0.221	C	C	.	.	S	Bend	trans	82.2	-1.9	-175	0	0	0	0	0	114.9	G188 E283	G188-G287 WeakPolarHBondContact O-CA 3.49Å; E283-G287 VanDerWaalsContact O-CA 3.23Å; E283-G287 WeakPolarHBondContact O-CA 3.15Å; E283-G287 PolarHBondContact O-N 3.4Å
288	K	94.1	Very high	94.8	Very high	137 Å²	137	48.6 Å²	48.6	60%	0.596	24%	0.238	S	C	*	.	S	Bend	trans	-145	150.8	-179.2	-65	-175.7	-178.6	176.4	0	111.7	Y282 E283 T286	Y282-K288 WeakPolarHBondContact CD1-O 3.23Å; Y282-K288 VanDerWaalsContact CE1-O 3.22Å; Y282-K288 WeakPolarHBondContact CE1-O 3.47Å; E283-K288 WeakPolarHBondContact CA-O 3.27Å; T286-K288 VanDerWaalsContact C-N 3.3Å; T286-K288 PolarHBondContact OG1-N 2.88Å; T286-K288 PolarHBondContact OG1-O 3.32Å
289	P	95.6	Very high	94.5	Very high	19 Å²	19	48.7 Å²	48.7	12%	0.123	24%	0.238	C	C	.	.			trans	-61.1	149.8	173.4	-19.3	29.3	0	0	0	112.4	D256 V279 F291 Y292	D256-P289 HydrophobicContact CB-CB 3.78Å; D256-P289 HydrophobicContact CB-CG 3.94Å; V279-P289 HydrophobicContact CG1-CB 4.47Å; P289-F291 VanDerWaalsContact C-N 3.3Å; P289-F291 PolarHBondContact O-N 2.81Å; P289-Y292 PolarHBondContact O-N 3.36Å
290	P	96.8	Very high	94.3	Very high	8 Å²	8	50 Å²	50	5%	0.052	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.9	-175.7	19.6	-25.4	0	0	0	114.2	V279 Y282 F308 L326	V279-P290 HydrophobicContact CG2-CG 4.33Å; Y282-P290 HydrophobicContact CD1-CB 3.61Å; Y282-P290 VanDerWaalsContact CD1-CD 3.46Å; Y282-P290 HydrophobicContact CD1-CG 3.92Å; Y282-P290 HydrophobicContact CD2-CB 3.84Å; Y282-P290 HydrophobicContact CD2-CG 4.48Å; Y282-P290 HydrophobicContact CE1-CB 3.76Å; Y282-P290 HydrophobicContact CE2-CB 3.95Å; Y282-P290 HydrophobicContact CG-CB 3.66Å; Y282-P290 HydrophobicContact CG-CG 3.92Å; P290-F308 HydrophobicContact CB-CB 3.81Å; P290-F308 HydrophobicContact CB-CD2 3.94Å; P290-F308 HydrophobicContact CB-CG 3.97Å; P290-F308 WeakPolarHBondContact O-CB 3.21Å; P290-L326 HydrophobicContact CB-CD1 4.42Å; P290-L326 HydrophobicContact CG-CD1 4.07Å
291	F	96.4	Very high	94.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-2.3	-174.3	-49.7	-67.9	0	0	0	113.5	W275 V279 P289 C293 T299 R302 I303 F308 L326	W275-F291 AromaticContact CE2-CE2 3.95Å; W275-F291 HydrophobicContact CH2-CE1 4.43Å; W275-F291 AromaticContact CH2-CE2 3.85Å; W275-F291 HydrophobicContact CH2-CE2 3.85Å; W275-F291 AromaticContact CH2-CZ 3.54Å; W275-F291 HydrophobicContact CH2-CZ 3.54Å; W275-F291 HydrophobicContact CZ2-CD2 4.11Å; W275-F291 HydrophobicContact CZ2-CE1 4.47Å; W275-F291 AromaticContact CZ2-CE2 3.21Å; W275-F291 HydrophobicContact CZ2-CE2 3.21Å; W275-F291 AromaticContact CZ2-CZ 3.44Å; W275-F291 HydrophobicContact CZ2-CZ 3.44Å; W275-F291 VanDerWaalsContact CZ2-CZ 3.44Å; V279-F291 HydrophobicContact CG2-CE2 4.2Å; P289-F291 VanDerWaalsContact C-N 3.3Å; P289-F291 PolarHBondContact O-N 2.81Å; F291-C293 PolarHBondContact O-N 3.16Å; F291-T299 HydrophobicContact CB-CG2 4.32Å; F291-R302 HydrophobicContact CB-CB 4.17Å; F291-R302 HydrophobicContact CD1-CB 4.12Å; F291-I303 HydrophobicContact CB-CD1 4.46Å; F291-I303 HydrophobicContact CB-CG1 3.72Å; F291-I303 HydrophobicContact CD1-CG1 4.35Å; F291-I303 HydrophobicContact CD2-CG1 3.68Å; F291-I303 HydrophobicContact CE2-CG1 4.43Å; F291-I303 HydrophobicContact CG-CG1 3.64Å; F291-F308 HydrophobicContact CD1-CB 4.16Å; F291-F308 HydrophobicContact CE1-CB 3.99Å; F291-F308 AromaticContact CE1-CD1 3.59Å; F291-F308 HydrophobicContact CE1-CD1 3.59Å; F291-F308 HydrophobicContact CE1-CE1 4.43Å; F291-F308 HydrophobicContact CE1-CG 4.07Å; F291-F308 AromaticContact CZ-CD1 4Å; F291-F308 HydrophobicContact CZ-CD1 4Å; F291-F308 HydrophobicContact CZ-CE1 4.47Å; F291-L326 HydrophobicContact CE2-CD1 4.47Å; F291-L326 HydrophobicContact CE2-CD2 4.34Å; F291-L326 HydrophobicContact CZ-CD1 4.17Å; F291-L326 HydrophobicContact CZ-CD2 4.43Å
292	Y	92.5	Very high	94.1	Very high	119 Å²	119	56.4 Å²	56.4	47%	0.467	28%	0.277	S	S	.	.			trans	-57.3	128.2	-170.9	172.7	-97.1	0	0	0	112.6	D256 P289	D256-Y292 WeakPolarHBondContact OD1-CA 3.39Å; P289-Y292 PolarHBondContact O-N 3.36Å
293	C	89.7	Confident	94	Very high	12 Å²	12	55.2 Å²	55.2	8%	0.081	27%	0.272	C	S	.	.			trans	-137	151.1	170.7	-66	0	0	0	0	109.9	F291 D295 E298 T299 R302	F291-C293 PolarHBondContact O-N 3.16Å; C293-D295 PolarHBondContact O-N 3.48Å; C293-E298 HydrophobicContact CB-CB 4.07Å; C293-E298 HydrophobicContact CB-CG 3.92Å; C293-E298 VanDerWaalsContact SG-CG 3.59Å; C293-T299 PolarHBondContact N-OG1 3.32Å; C293-T299 VanDerWaalsContact N-OG1 3.1Å; C293-T299 PolarHBondContact O-OG1 3.06Å; C293-R302 PolarHBondContact SG-NE 2.93Å; C293-R302 PolarHBondContact SG-NH1 2.89Å; C293-R302 VanDerWaalsContact SG-NH1 3.35Å
294	P	87.7	Confident	93.8	Very high	126 Å²	126	58.5 Å²	58.5	82%	0.818	29%	0.29	S	S	*	.	S	Bend	trans	-58.2	-31.6	172	-25.8	35.3	0	0	0	113.7
295	D	89.6	Confident	93.7	Very high	73 Å²	73	65 Å²	65	39%	0.39	32%	0.318	S	S	.	.	S	Bend	trans	-93.2	121.3	173.8	177.7	49.6	0	0	0	110.9	C293 R297 E298 T299	C293-D295 PolarHBondContact O-N 3.48Å; D295-R297 VanDerWaalsContact C-N 3.27Å; D295-R297 PolarHBondContact O-N 3.06Å; D295-R297 IonicContact OD1-NE 2.85Å; D295-R297 WeakPolarHBondContact OD2-CB 3.42Å; D295-E298 HydrophobicContact CB-CB 4.18Å; D295-E298 WeakPolarHBondContact O-CB 3.28Å; D295-E298 PolarHBondContact O-N 2.92Å; D295-E298 PolarHBondContact OD2-N 2.48Å; D295-E298 VanDerWaalsContact OD2-N 3.11Å; D295-T299 PolarHBondContact O-N 3.25Å; D295-T299 PolarHBondContact O-OG1 2.97Å
296	Q	86.8	Confident	93.6	Very high	137 Å²	137	65.5 Å²	65.5	64%	0.64	32%	0.322	S	S	*	.	H	α-helix	trans	-64.3	-30.3	-178.2	-70.6	-176.8	-7.8	0	0	112.9	V255 T299 C300	V255-Q296 HydrophobicContact CG2-CG 4.42Å; Q296-T299 PolarHBondContact O-N 2.92Å; Q296-C300 PolarHBondContact O-N 2.94Å; Q296-C300 PolarHBondContact O-SG 3.47Å
297	R	90.6	Very high	93.6	Very high	194 Å²	194	67.2 Å²	67.2	73%	0.732	33%	0.333	S	S	*	.	H	α-helix	trans	-68.7	-38.5	177.1	-66.2	179	-70.7	-176.8	-3.9	111.3	D295 C300 T301	D295-R297 VanDerWaalsContact C-N 3.27Å; D295-R297 PolarHBondContact O-N 3.06Å; D295-R297 IonicContact OD1-NE 2.85Å; D295-R297 WeakPolarHBondContact OD2-CB 3.42Å; R297-C300 PolarHBondContact O-N 3.49Å; R297-T301 WeakPolarHBondContact O-CB 3.47Å; R297-T301 PolarHBondContact O-N 3.49Å; R297-T301 PolarHBondContact O-OG1 3.45Å
298	E	92.8	Very high	93.6	Very high	76 Å²	76	68.3 Å²	68.3	36%	0.355	33%	0.331	S	S	.	.	H	α-helix	trans	-64.8	-43.2	171	-178.8	60.3	-163.3	0	0	111.7	C293 D295 C300 T301 R302	C293-E298 HydrophobicContact CB-CB 4.07Å; C293-E298 HydrophobicContact CB-CG 3.92Å; C293-E298 VanDerWaalsContact SG-CG 3.59Å; D295-E298 HydrophobicContact CB-CB 4.18Å; D295-E298 WeakPolarHBondContact O-CB 3.28Å; D295-E298 PolarHBondContact O-N 2.92Å; D295-E298 PolarHBondContact OD2-N 2.48Å; D295-E298 VanDerWaalsContact OD2-N 3.11Å; E298-C300 VanDerWaalsContact C-N 3.35Å; E298-C300 PolarHBondContact O-N 3.47Å; E298-T301 WeakPolarHBondContact O-CB 3.45Å; E298-T301 PolarHBondContact O-N 3.46Å; E298-T301 VanDerWaalsContact O-N 3.11Å; E298-R302 WeakPolarHBondContact O-CG 3.48Å; E298-R302 PolarHBondContact O-N 3.36Å; E298-R302 IonicContact OE1-CZ 3.72Å; E298-R302 IonicContact OE1-NE 3.63Å; E298-R302 PolarHBondContact OE1-NE 3.47Å; E298-R302 VanDerWaalsContact OE1-NE 3.14Å; E298-R302 IonicContact OE1-NH2 2.71Å
299	T	92.4	Very high	93.7	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.012	34%	0.341	C	S	.	.	H	α-helix	trans	-54.8	-50	172.4	-61.1	0	0	0	0	111.1	V255 D256 F291 C293 D295 Q296 T301 R302 I303	V255-T299 HydrophobicContact CG2-CG2 3.78Å; D256-T299 WeakPolarHBondContact OD1-CG2 3.41Å; F291-T299 HydrophobicContact CB-CG2 4.32Å; C293-T299 PolarHBondContact N-OG1 3.32Å; C293-T299 VanDerWaalsContact N-OG1 3.1Å; C293-T299 PolarHBondContact O-OG1 3.06Å; D295-T299 PolarHBondContact O-N 3.25Å; D295-T299 PolarHBondContact O-OG1 2.97Å; Q296-T299 PolarHBondContact O-N 2.92Å; T299-T301 VanDerWaalsContact C-N 3.31Å; T299-T301 PolarHBondContact O-N 2.9Å; T299-R302 PolarHBondContact O-N 3.38Å; T299-I303 HydrophobicContact CG2-CD1 3.88Å; T299-I303 WeakPolarHBondContact O-CG1 3.19Å; T299-I303 PolarHBondContact O-N 3.2Å
300	C	92.7	Very high	93.7	Very high	27 Å²	27	71.4 Å²	71.4	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-59.1	-41.1	176.3	-70.1	0	0	0	0	112.3	V263 Q296 R297 E298 R302 I303 L304	V263-C300 HydrophobicContact CG1-CB 3.92Å; Q296-C300 PolarHBondContact O-N 2.94Å; Q296-C300 PolarHBondContact O-SG 3.47Å; R297-C300 PolarHBondContact O-N 3.49Å; E298-C300 VanDerWaalsContact C-N 3.35Å; E298-C300 PolarHBondContact O-N 3.47Å; C300-R302 VanDerWaalsContact C-N 3.35Å; C300-R302 PolarHBondContact O-N 3.45Å; C300-I303 PolarHBondContact O-N 2.95Å; C300-L304 WeakPolarHBondContact O-CB 3.42Å; C300-L304 VanDerWaalsContact O-CG 3.29Å; C300-L304 WeakPolarHBondContact O-CG 3.39Å; C300-L304 PolarHBondContact O-N 3.48Å
301	T	95.2	Very high	93.6	Very high	50 Å²	50	73.1 Å²	73.1	31%	0.307	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-42.1	178	-60.9	0	0	0	0	111.4	R297 E298 T299 L304 K305	R297-T301 WeakPolarHBondContact O-CB 3.47Å; R297-T301 PolarHBondContact O-N 3.49Å; R297-T301 PolarHBondContact O-OG1 3.45Å; E298-T301 WeakPolarHBondContact O-CB 3.45Å; E298-T301 PolarHBondContact O-N 3.46Å; E298-T301 VanDerWaalsContact O-N 3.11Å; T299-T301 VanDerWaalsContact C-N 3.31Å; T299-T301 PolarHBondContact O-N 2.9Å; T301-L304 PolarHBondContact O-N 3.34Å; T301-K305 HydrophobicContact CG2-CD 4.05Å; T301-K305 WeakPolarHBondContact O-CB 3.35Å; T301-K305 WeakPolarHBondContact O-CG 3.47Å; T301-K305 PolarHBondContact O-N 3.26Å
302	R	96.2	Very high	93.5	Very high	86 Å²	86	79.9 Å²	79.9	33%	0.325	39%	0.391	S	S	.	.	H	α-helix	trans	-66.6	-39	176.2	-72	-172.9	-177.3	-171.5	3.9	112.7	F291 C293 E298 T299 C300 K305 C306 T307	F291-R302 HydrophobicContact CB-CB 4.17Å; F291-R302 HydrophobicContact CD1-CB 4.12Å; C293-R302 PolarHBondContact SG-NE 2.93Å; C293-R302 PolarHBondContact SG-NH1 2.89Å; C293-R302 VanDerWaalsContact SG-NH1 3.35Å; E298-R302 WeakPolarHBondContact O-CG 3.48Å; E298-R302 PolarHBondContact O-N 3.36Å; E298-R302 IonicContact OE1-CZ 3.72Å; E298-R302 IonicContact OE1-NE 3.63Å; E298-R302 PolarHBondContact OE1-NE 3.47Å; E298-R302 VanDerWaalsContact OE1-NE 3.14Å; E298-R302 IonicContact OE1-NH2 2.71Å; T299-R302 PolarHBondContact O-N 3.38Å; C300-R302 VanDerWaalsContact C-N 3.35Å; C300-R302 PolarHBondContact O-N 3.45Å; R302-K305 CarbonylContact O-C 3.52Å; R302-K305 PolarHBondContact O-N 3.37Å; R302-C306 CarbonylContact O-C 3.23Å; R302-C306 VanDerWaalsContact O-CA 3.23Å; R302-C306 WeakPolarHBondContact O-CA 3.38Å; R302-C306 PolarHBondContact O-N 2.91Å; R302-T307 PolarHBondContact O-N 3.01Å
303	I	96.1	Very high	93.6	Very high	0 Å²	0	81.9 Å²	81.9	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-61.2	-51.5	173.6	-69.6	165.4	0	0	0	110.1	V255 L258 P260 V263 W275 F291 T299 C300 K305 C306	V255-I303 WeakPolarHBondContact O-CD1 3.42Å; L258-I303 WeakPolarHBondContact O-CG2 3.25Å; P260-I303 HydrophobicContact CB-CG2 4.25Å; V263-I303 HydrophobicContact CB-CG2 4.47Å; V263-I303 HydrophobicContact CG2-CD1 4.38Å; V263-I303 HydrophobicContact CG2-CG2 3.86Å; W275-I303 HydrophobicContact CZ2-CG2 3.98Å; F291-I303 HydrophobicContact CB-CD1 4.46Å; F291-I303 HydrophobicContact CB-CG1 3.72Å; F291-I303 HydrophobicContact CD1-CG1 4.35Å; F291-I303 HydrophobicContact CD2-CG1 3.68Å; F291-I303 HydrophobicContact CE2-CG1 4.43Å; F291-I303 HydrophobicContact CG-CG1 3.64Å; T299-I303 HydrophobicContact CG2-CD1 3.88Å; T299-I303 WeakPolarHBondContact O-CG1 3.19Å; T299-I303 PolarHBondContact O-N 3.2Å; C300-I303 PolarHBondContact O-N 2.95Å; I303-K305 PolarHBondContact O-N 3.38Å; I303-C306 PolarHBondContact O-N 2.92Å
304	L	95.3	Very high	93.9	Very high	81 Å²	81	82 Å²	82	42%	0.424	40%	0.404	S	S	.	.	H	α-helix	trans	-62.9	-27	-178.9	-71.1	171.9	0	0	0	113.4	P260 V263 C300 T301 L328	P260-L304 HydrophobicContact CB-CD2 4.39Å; V263-L304 HydrophobicContact CB-CD2 4.12Å; V263-L304 HydrophobicContact CB-CG 4.43Å; V263-L304 HydrophobicContact CG1-CD1 4.04Å; V263-L304 HydrophobicContact CG1-CD2 3.99Å; V263-L304 HydrophobicContact CG1-CG 3.86Å; C300-L304 WeakPolarHBondContact O-CB 3.42Å; C300-L304 VanDerWaalsContact O-CG 3.29Å; C300-L304 WeakPolarHBondContact O-CG 3.39Å; C300-L304 PolarHBondContact O-N 3.48Å; T301-L304 PolarHBondContact O-N 3.34Å; L304-L328 WeakPolarHBondContact O-CD2 3.36Å
305	K	96.2	Very high	94.3	Very high	140 Å²	140	77.2 Å²	77.2	61%	0.609	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	0.5	175.6	-65.6	178.9	-179.8	176.1	0	113.6	T301 R302 I303 T307	T301-K305 HydrophobicContact CG2-CD 4.05Å; T301-K305 WeakPolarHBondContact O-CB 3.35Å; T301-K305 WeakPolarHBondContact O-CG 3.47Å; T301-K305 PolarHBondContact O-N 3.26Å; R302-K305 CarbonylContact O-C 3.52Å; R302-K305 PolarHBondContact O-N 3.37Å; I303-K305 PolarHBondContact O-N 3.38Å; K305-T307 WeakPolarHBondContact CB-OG1 3.48Å; K305-T307 PolarHBondContact O-N 3.31Å; K305-T307 PolarHBondContact O-OG1 3.42Å
306	C	96.2	Very high	94.7	Very high	26 Å²	26	79.5 Å²	79.5	18%	0.176	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	40.4	49.9	-168.2	-158.4	0	0	0	0	113.3	W275 R302 I303 L326 L328	W275-C306 HydrophobicContact CH2-CB 4.48Å; R302-C306 CarbonylContact O-C 3.23Å; R302-C306 VanDerWaalsContact O-CA 3.23Å; R302-C306 WeakPolarHBondContact O-CA 3.38Å; R302-C306 PolarHBondContact O-N 2.91Å; I303-C306 PolarHBondContact O-N 2.92Å; C306-L326 PolarHBondContact SG-O 2.98Å; C306-L328 HydrophobicContact CB-CD1 4.29Å; C306-L328 HydrophobicContact CB-CD2 3.58Å; C306-L328 HydrophobicContact CB-CG 3.6Å
307	T	96.1	Very high	95.2	Very high	75 Å²	75	75.2 Å²	75.2	46%	0.46	37%	0.366	S	S	.	.			trans	-100.2	105.9	-176.4	-55.2	0	0	0	0	110.6	R302 K305	R302-T307 PolarHBondContact O-N 3.01Å; K305-T307 WeakPolarHBondContact CB-OG1 3.48Å; K305-T307 PolarHBondContact O-N 3.31Å; K305-T307 PolarHBondContact O-OG1 3.42Å
308	F	96.4	Very high	95.6	Very high	47 Å²	47	66 Å²	66	21%	0.206	33%	0.331	C	S	.	.			trans	-147.9	169.7	175.4	66.8	-74.6	0	0	0	109.6	Y282 P290 F291 I310 I322 L326	Y282-F308 HydrophobicContact CD2-CD2 4.17Å; Y282-F308 HydrophobicContact CD2-CE2 4.37Å; Y282-F308 AromaticContact CE2-CD2 3.91Å; Y282-F308 HydrophobicContact CE2-CD2 3.91Å; Y282-F308 HydrophobicContact CE2-CE2 4.45Å; P290-F308 HydrophobicContact CB-CB 3.81Å; P290-F308 HydrophobicContact CB-CD2 3.94Å; P290-F308 HydrophobicContact CB-CG 3.97Å; P290-F308 WeakPolarHBondContact O-CB 3.21Å; F291-F308 HydrophobicContact CD1-CB 4.16Å; F291-F308 HydrophobicContact CE1-CB 3.99Å; F291-F308 AromaticContact CE1-CD1 3.59Å; F291-F308 HydrophobicContact CE1-CD1 3.59Å; F291-F308 HydrophobicContact CE1-CE1 4.43Å; F291-F308 HydrophobicContact CE1-CG 4.07Å; F291-F308 AromaticContact CZ-CD1 4Å; F291-F308 HydrophobicContact CZ-CD1 4Å; F291-F308 HydrophobicContact CZ-CE1 4.47Å; F308-I310 HydrophobicContact CD2-CG1 4.12Å; F308-I310 HydrophobicContact CE2-CD1 3.97Å; F308-I310 HydrophobicContact CE2-CG1 3.57Å; F308-I322 HydrophobicContact CE2-CG2 3.72Å; F308-I322 HydrophobicContact CZ-CG2 4.08Å; F308-L326 HydrophobicContact CD2-CD1 4.42Å; F308-L326 HydrophobicContact CE1-CB 4.05Å; F308-L326 HydrophobicContact CE1-CD1 3.97Å; F308-L326 HydrophobicContact CE2-CD1 3.86Å; F308-L326 HydrophobicContact CZ-CB 4.01Å; F308-L326 HydrophobicContact CZ-CD1 3.61Å; F308-L326 HydrophobicContact CZ-CG 4.43Å
309	K	95.6	Very high	95.8	Very high	183 Å²	183	64.6 Å²	64.6	80%	0.796	32%	0.324	S	S	*	.			trans	-122.6	129	177.8	-66.8	-175.2	179.1	-176.7	0	109.2	Y282	Y282-K309 WeakPolarHBondContact CE2-O 3.15Å; Y282-K309 PolarHBondContact OH-O 3.22Å
310	I	95.8	Very high	96.1	Very high	38 Å²	38	68.3 Å²	68.3	20%	0.195	34%	0.344	C	S	.	.			trans	-87.3	126.1	171.7	-52	177.3	0	0	0	108.3	F308 M314 K319 I322	F308-I310 HydrophobicContact CD2-CG1 4.12Å; F308-I310 HydrophobicContact CE2-CD1 3.97Å; F308-I310 HydrophobicContact CE2-CG1 3.57Å; I310-M314 HydrophobicContact CG2-CB 4.4Å; I310-M314 HydrophobicContact CG2-CE 3.94Å; I310-M314 HydrophobicContact CG2-SD 3.52Å; I310-M314 VanDerWaalsContact CG2-SD 3.52Å; I310-K319 HydrophobicContact CB-CG 4.34Å; I310-K319 HydrophobicContact CD1-CB 4.39Å; I310-K319 HydrophobicContact CG2-CB 4.43Å; I310-K319 HydrophobicContact CG2-CG 3.55Å; I310-I322 HydrophobicContact CD1-CB 4.25Å; I310-I322 HydrophobicContact CD1-CG2 3.94Å; I310-I322 HydrophobicContact CG1-CG2 4.41Å
311	P	95.1	Very high	96.4	Very high	44 Å²	44	67 Å²	67	29%	0.286	34%	0.335	S	S	.	.			trans	-57.7	142.4	176.7	-25	35	0	0	0	112.4	T286 E313 M314 K319	T286-P311 HydrophobicContact CG2-CG 3.86Å; P311-E313 WeakPolarHBondContact CB-OE2 3.22Å; P311-E313 PolarHBondContact O-N 3.36Å; P311-M314 WeakPolarHBondContact O-CB 3.32Å; P311-M314 PolarHBondContact O-N 3.06Å; P311-K319 WeakPolarHBondContact O-CE 3.34Å
312	N	94.6	Very high	96.5	Very high	141 Å²	141	64.6 Å²	64.6	75%	0.754	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.2	-176.1	-74.1	-25.8	0	0	0	112.5	M314 K319	N312-M314 PolarHBondContact O-N 3.38Å; N312-K319 PolarHBondContact O-NZ 3.04Å
313	E	94.3	Very high	96.6	Very high	161 Å²	161	63 Å²	63	75%	0.752	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-12.4	-176.7	-55.2	73.7	-160.1	0	0	113.3	P311	P311-E313 WeakPolarHBondContact CB-OE2 3.22Å; P311-E313 PolarHBondContact O-N 3.36Å
314	M	95.9	Very high	96.7	Very high	15 Å²	15	65.8 Å²	65.8	7%	0.074	34%	0.335	C	S	.	.	S	Bend	trans	-75.2	147.4	176.5	-178.4	179.2	-61.2	0	0	111.1	L285 T286 I310 P311 N312 A318 K319 I322	L285-M314 HydrophobicContact CB-CE 3.7Å; L285-M314 HydrophobicContact CD1-CE 3.65Å; L285-M314 HydrophobicContact CD1-SD 4.02Å; L285-M314 HydrophobicContact CG-CE 4.28Å; T286-M314 HydrophobicContact CG2-CE 4.31Å; I310-M314 HydrophobicContact CG2-CB 4.4Å; I310-M314 HydrophobicContact CG2-CE 3.94Å; I310-M314 HydrophobicContact CG2-SD 3.52Å; I310-M314 VanDerWaalsContact CG2-SD 3.52Å; P311-M314 WeakPolarHBondContact O-CB 3.32Å; P311-M314 PolarHBondContact O-N 3.06Å; N312-M314 PolarHBondContact O-N 3.38Å; M314-A318 HydrophobicContact CG-CB 3.31Å; M314-A318 HydrophobicContact SD-CB 3.5Å; M314-A318 VanDerWaalsContact SD-CB 3.5Å; M314-K319 HydrophobicContact CB-CG 4.32Å; M314-K319 HydrophobicContact CG-CG 4.21Å; M314-K319 WeakPolarHBondContact O-CE 3.44Å; M314-K319 PolarHBondContact O-NZ 3.49Å; M314-K319 HydrophobicContact SD-CG 4.18Å; M314-I322 HydrophobicContact CE-CD1 3.79Å; M314-I322 HydrophobicContact SD-CD1 3.59Å; M314-I322 VanDerWaalsContact SD-CD1 3.59Å
315	S	97.1	Very high	96.9	Very high	25 Å²	25	62 Å²	62	18%	0.175	32%	0.315	C	S	.	.			trans	-61.9	155.9	174.5	61.9	0	0	0	0	112.5	E192 E317 A318 K319	E192-S315 PolarHBondContact OE1-N 2.93Å; E192-S315 PolarHBondContact OE1-OG 3.35Å; E192-S315 VanDerWaalsContact OE1-OG 3.07Å; E192-S315 WeakPolarHBondContact OE2-CB 3.38Å; E192-S315 PolarHBondContact OE2-OG 3.31Å; S315-E317 PolarHBondContact O-N 3.19Å; S315-A318 PolarHBondContact O-N 3.34Å; S315-A318 WeakPolarHBondContact OG-CB 3.25Å; S315-A318 PolarHBondContact OG-N 2.93Å; S315-K319 WeakPolarHBondContact O-CG 3.21Å; S315-K319 PolarHBondContact O-N 3.35Å
316	D	97.4	Very high	97	Very high	121 Å²	121	55.6 Å²	55.6	65%	0.647	29%	0.288	S	S	*	.	H	α-helix	trans	-64.3	-34.8	178.1	-67.7	-26.2	0	0	0	110.9	A318 K319 D320	D316-A318 PolarHBondContact O-N 2.91Å; D316-K319 PolarHBondContact O-N 2.91Å; D316-K319 IonicContact OD1-NZ 3.78Å; D316-D320 VanDerWaalsContact O-CB 3.26Å; D316-D320 WeakPolarHBondContact O-CB 3.49Å; D316-D320 PolarHBondContact O-N 3.36Å
317	E	97.4	Very high	97	Very high	48 Å²	48	60 Å²	60	22%	0.224	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-38.1	175.9	-61.1	91.7	151.9	0	0	112.6	S315 L321 H342 M343 F344 R347	S315-E317 PolarHBondContact O-N 3.19Å; E317-L321 PolarHBondContact O-N 3.39Å; E317-L321 VanDerWaalsContact O-N 3.11Å; E317-H342 PolarHBondContact O-CE1 2.67Å; E317-H342 VanDerWaalsContact O-CE1 3.27Å; E317-M343 HydrophobicContact CG-CB 4.09Å; E317-F344 HydrophobicContact CB-CB 3.94Å; E317-F344 HydrophobicContact CB-CD2 4.35Å; E317-R347 IonicContact OE1-CZ 3.7Å; E317-R347 IonicContact OE1-NH1 3.84Å; E317-R347 PolarHBondContact OE1-NH1 3.02Å; E317-R347 IonicContact OE2-NH1 2.67Å
318	A	98.2	Very high	97.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-70.7	-41.9	176.1	0	0	0	0	0	111.7	M281 L285 M314 S315 D316 D320 L321 I322 F344	M281-A318 HydrophobicContact CE-CB 3.9Å; L285-A318 HydrophobicContact CD1-CB 4.16Å; M314-A318 HydrophobicContact CG-CB 3.31Å; M314-A318 HydrophobicContact SD-CB 3.5Å; M314-A318 VanDerWaalsContact SD-CB 3.5Å; S315-A318 PolarHBondContact O-N 3.34Å; S315-A318 WeakPolarHBondContact OG-CB 3.25Å; S315-A318 PolarHBondContact OG-N 2.93Å; D316-A318 PolarHBondContact O-N 2.91Å; A318-D320 VanDerWaalsContact C-N 3.33Å; A318-D320 PolarHBondContact O-N 3.27Å; A318-L321 PolarHBondContact O-N 3.48Å; A318-I322 WeakPolarHBondContact O-CG1 3.32Å; A318-I322 PolarHBondContact O-N 2.99Å; A318-F344 HydrophobicContact CB-CD2 3.57Å; A318-F344 HydrophobicContact CB-CE2 3.5Å; A318-F344 VanDerWaalsContact CB-CE2 3.5Å; A318-F344 HydrophobicContact CB-CG 4.4Å; A318-F344 HydrophobicContact CB-CZ 4.27Å
319	K	98.2	Very high	97	Very high	47 Å²	47	61.5 Å²	61.5	20%	0.204	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-45.1	174	-75.3	162.9	-179.4	156.3	0	111.6	I310 P311 N312 M314 S315 D316 S323	I310-K319 HydrophobicContact CB-CG 4.34Å; I310-K319 HydrophobicContact CD1-CB 4.39Å; I310-K319 HydrophobicContact CG2-CB 4.43Å; I310-K319 HydrophobicContact CG2-CG 3.55Å; P311-K319 WeakPolarHBondContact O-CE 3.34Å; N312-K319 PolarHBondContact O-NZ 3.04Å; M314-K319 HydrophobicContact CB-CG 4.32Å; M314-K319 HydrophobicContact CG-CG 4.21Å; M314-K319 WeakPolarHBondContact O-CE 3.44Å; M314-K319 PolarHBondContact O-NZ 3.49Å; M314-K319 HydrophobicContact SD-CG 4.18Å; S315-K319 WeakPolarHBondContact O-CG 3.21Å; S315-K319 PolarHBondContact O-N 3.35Å; D316-K319 PolarHBondContact O-N 2.91Å; D316-K319 IonicContact OD1-NZ 3.78Å; K319-S323 WeakPolarHBondContact O-CB 3.46Å; K319-S323 PolarHBondContact O-N 3.26Å; K319-S323 PolarHBondContact O-OG 3.06Å
320	D	98.1	Very high	97.1	Very high	79 Å²	79	54 Å²	54	42%	0.422	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-51.9	179.4	-176.3	37.3	0	0	0	111	D316 A318 I322 S323 Q324 H342	D316-D320 VanDerWaalsContact O-CB 3.26Å; D316-D320 WeakPolarHBondContact O-CB 3.49Å; D316-D320 PolarHBondContact O-N 3.36Å; A318-D320 VanDerWaalsContact C-N 3.33Å; A318-D320 PolarHBondContact O-N 3.27Å; D320-I322 PolarHBondContact O-N 3.11Å; D320-S323 WeakPolarHBondContact O-CB 3.26Å; D320-S323 PolarHBondContact O-N 3.47Å; D320-S323 VanDerWaalsContact O-N 3.11Å; D320-Q324 WeakPolarHBondContact O-CG 3.34Å; D320-Q324 PolarHBondContact O-N 3.31Å; D320-Q324 PolarHBondContact OD1-NE2 3.05Å; D320-Q324 PolarHBondContact OD2-NE2 3.06Å; D320-H342 IonicContact OD2-CE1 3.8Å; D320-H342 IonicContact OD2-NE2 3.79Å; D320-H342 PolarHBondContact OD2-NE2 3.11Å
321	L	98.5	Very high	97.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-44.3	-179.6	-175	50.9	0	0	0	112.7	M281 E317 A318 S323 Q324 L325 I339 H342 F344 I345	M281-L321 HydrophobicContact CE-CB 4.06Å; M281-L321 HydrophobicContact CE-CD2 4.06Å; M281-L321 HydrophobicContact CE-CG 4.29Å; M281-L321 HydrophobicContact SD-CB 4.18Å; M281-L321 HydrophobicContact SD-CD2 3.65Å; M281-L321 HydrophobicContact SD-CG 3.8Å; E317-L321 PolarHBondContact O-N 3.39Å; E317-L321 VanDerWaalsContact O-N 3.11Å; A318-L321 PolarHBondContact O-N 3.48Å; L321-S323 VanDerWaalsContact C-N 3.28Å; L321-S323 PolarHBondContact O-N 2.82Å; L321-Q324 PolarHBondContact O-N 3.41Å; L321-L325 HydrophobicContact CD1-CD1 4.01Å; L321-L325 HydrophobicContact CD1-CG 4.08Å; L321-L325 HydrophobicContact CG-CD1 3.9Å; L321-L325 HydrophobicContact CG-CG 4.43Å; L321-L325 VanDerWaalsContact O-CG 3.27Å; L321-L325 WeakPolarHBondContact O-CG 3.43Å; L321-L325 PolarHBondContact O-N 2.77Å; L321-I339 HydrophobicContact CD1-CG2 4.31Å; L321-H342 HydrophobicContact CD1-CB 4.14Å; L321-H342 HydrophobicContact CD2-CB 4.26Å; L321-F344 HydrophobicContact CD2-CB 4.15Å; L321-F344 HydrophobicContact CD2-CD1 3.99Å; L321-F344 HydrophobicContact CD2-CG 4.44Å; L321-I345 HydrophobicContact CD2-CD1 4.38Å; L321-I345 HydrophobicContact CD2-CG1 4.23Å
322	I	98.5	Very high	97.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.7	-42.3	176.4	-71	172.4	0	0	0	110.7	M281 Y282 L285 F308 I310 M314 A318 D320 Q324 L325 L326	M281-I322 HydrophobicContact CE-CD1 4.38Å; M281-I322 HydrophobicContact CE-CG1 3.98Å; M281-I322 HydrophobicContact CG-CD1 4.37Å; M281-I322 HydrophobicContact CG-CG1 4.03Å; M281-I322 HydrophobicContact SD-CG1 3.93Å; Y282-I322 HydrophobicContact CD2-CD1 4.2Å; Y282-I322 HydrophobicContact CD2-CG2 4.28Å; L285-I322 HydrophobicContact CD1-CD1 4.15Å; F308-I322 HydrophobicContact CE2-CG2 3.72Å; F308-I322 HydrophobicContact CZ-CG2 4.08Å; I310-I322 HydrophobicContact CD1-CB 4.25Å; I310-I322 HydrophobicContact CD1-CG2 3.94Å; I310-I322 HydrophobicContact CG1-CG2 4.41Å; M314-I322 HydrophobicContact CE-CD1 3.79Å; M314-I322 HydrophobicContact SD-CD1 3.59Å; M314-I322 VanDerWaalsContact SD-CD1 3.59Å; A318-I322 WeakPolarHBondContact O-CG1 3.32Å; A318-I322 PolarHBondContact O-N 2.99Å; D320-I322 PolarHBondContact O-N 3.11Å; I322-Q324 VanDerWaalsContact C-N 3.32Å; I322-Q324 PolarHBondContact O-N 2.73Å; I322-L325 PolarHBondContact O-N 3.31Å; I322-L326 HydrophobicContact CG2-CD1 3.81Å; I322-L326 HydrophobicContact CG2-CG 4.43Å; I322-L326 WeakPolarHBondContact O-CB 3.32Å; I322-L326 PolarHBondContact O-N 2.92Å
323	S	97.7	Very high	97.4	Very high	52 Å²	52	53.8 Å²	53.8	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-67.2	-32.8	-179.5	-58.8	0	0	0	0	112.5	K319 D320 L321 R327	K319-S323 WeakPolarHBondContact O-CB 3.46Å; K319-S323 PolarHBondContact O-N 3.26Å; K319-S323 PolarHBondContact O-OG 3.06Å; D320-S323 WeakPolarHBondContact O-CB 3.26Å; D320-S323 PolarHBondContact O-N 3.47Å; D320-S323 VanDerWaalsContact O-N 3.11Å; L321-S323 VanDerWaalsContact C-N 3.28Å; L321-S323 PolarHBondContact O-N 2.82Å; S323-R327 VanDerWaalsContact O-CD 3.23Å; S323-R327 WeakPolarHBondContact O-CD 3.49Å
324	Q	98.2	Very high	97.6	Very high	59 Å²	59	46.7 Å²	46.7	28%	0.276	24%	0.241	S	C	.	.	H	α-helix	trans	-73.2	-36.7	173.6	-68.4	175.2	37.6	0	0	112.4	D320 L321 I322 R327 P334 H342	D320-Q324 WeakPolarHBondContact O-CG 3.34Å; D320-Q324 PolarHBondContact O-N 3.31Å; D320-Q324 PolarHBondContact OD1-NE2 3.05Å; D320-Q324 PolarHBondContact OD2-NE2 3.06Å; L321-Q324 PolarHBondContact O-N 3.41Å; I322-Q324 VanDerWaalsContact C-N 3.32Å; I322-Q324 PolarHBondContact O-N 2.73Å; Q324-R327 WeakPolarHBondContact O-CG 3.34Å; Q324-P334 HydrophobicContact CB-CG 4.2Å; Q324-P334 WeakPolarHBondContact O-CD 3.23Å; Q324-H342 PolarHBondContact NE2-NE2 3.48Å
325	L	98.4	Very high	97.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-73.7	-42.7	179.7	-68.6	168.5	0	0	0	112.8	I274 L277 M281 L321 I322 R327 P334 I339	I274-L325 HydrophobicContact CG2-CD2 3.6Å; L277-L325 HydrophobicContact CB-CD2 4.45Å; M281-L325 HydrophobicContact SD-CD1 4.43Å; L321-L325 HydrophobicContact CD1-CD1 4.01Å; L321-L325 HydrophobicContact CD1-CG 4.08Å; L321-L325 HydrophobicContact CG-CD1 3.9Å; L321-L325 HydrophobicContact CG-CG 4.43Å; L321-L325 VanDerWaalsContact O-CG 3.27Å; L321-L325 WeakPolarHBondContact O-CG 3.43Å; L321-L325 PolarHBondContact O-N 2.77Å; I322-L325 PolarHBondContact O-N 3.31Å; L325-R327 VanDerWaalsContact C-N 3.3Å; L325-R327 PolarHBondContact O-N 3.4Å; L325-R327 VanDerWaalsContact O-N 3.11Å; L325-P334 HydrophobicContact CD2-CG 4.11Å; L325-I339 HydrophobicContact CD2-CD1 3.42Å; L325-I339 VanDerWaalsContact CD2-CD1 3.42Å; L325-I339 HydrophobicContact CD2-CG1 3.8Å
326	L	98.3	Very high	97.7	Very high	7 Å²	7	48 Å²	48	4%	0.037	25%	0.251	C	S	.	.	S	Bend	trans	-89.2	58.7	-174.9	-62.8	-179.7	0	0	0	112.2	W275 V279 P290 F291 C306 F308 I322	W275-L326 HydrophobicContact CD2-CD2 3.88Å; W275-L326 HydrophobicContact CE3-CD2 3.99Å; W275-L326 HydrophobicContact CG-CD2 4.4Å; W275-L326 HydrophobicContact CH2-CD2 4.42Å; W275-L326 HydrophobicContact CZ2-CD2 4.33Å; W275-L326 HydrophobicContact CZ3-CB 4.33Å; W275-L326 HydrophobicContact CZ3-CD2 4.25Å; V279-L326 HydrophobicContact CG2-CD2 3.98Å; P290-L326 HydrophobicContact CB-CD1 4.42Å; P290-L326 HydrophobicContact CG-CD1 4.07Å; F291-L326 HydrophobicContact CE2-CD1 4.47Å; F291-L326 HydrophobicContact CE2-CD2 4.34Å; F291-L326 HydrophobicContact CZ-CD1 4.17Å; F291-L326 HydrophobicContact CZ-CD2 4.43Å; C306-L326 PolarHBondContact SG-O 2.98Å; F308-L326 HydrophobicContact CD2-CD1 4.42Å; F308-L326 HydrophobicContact CE1-CB 4.05Å; F308-L326 HydrophobicContact CE1-CD1 3.97Å; F308-L326 HydrophobicContact CE2-CD1 3.86Å; F308-L326 HydrophobicContact CZ-CB 4.01Å; F308-L326 HydrophobicContact CZ-CD1 3.61Å; F308-L326 HydrophobicContact CZ-CG 4.43Å; I322-L326 HydrophobicContact CG2-CD1 3.81Å; I322-L326 HydrophobicContact CG2-CG 4.43Å; I322-L326 WeakPolarHBondContact O-CB 3.32Å; I322-L326 PolarHBondContact O-N 2.92Å
327	R	97.9	Very high	97.7	Very high	117 Å²	117	49 Å²	49	44%	0.442	25%	0.252	S	S	.	.			trans	-95.9	136.3	176.1	-56.4	-73.1	-78.3	-172.3	-7.2	111.2	S323 Q324 L325 D332 R333	S323-R327 VanDerWaalsContact O-CD 3.23Å; S323-R327 WeakPolarHBondContact O-CD 3.49Å; Q324-R327 WeakPolarHBondContact O-CG 3.34Å; L325-R327 VanDerWaalsContact C-N 3.3Å; L325-R327 PolarHBondContact O-N 3.4Å; L325-R327 VanDerWaalsContact O-N 3.11Å; R327-D332 HydrophobicContact CB-CB 3.91Å; R327-D332 HydrophobicContact CG-CB 4.08Å; R327-D332 IonicContact NH2-OD2 3.6Å; R327-R333 HydrophobicContact CB-CG 3.97Å; R327-R333 PolarHBondContact O-NE 3.44Å; R327-R333 VanDerWaalsContact O-NE 3.08Å; R327-R333 PolarHBondContact O-NH2 3.23Å
328	L	96.7	Very high	97.8	Very high	87 Å²	87	52.1 Å²	52.1	46%	0.455	27%	0.266	S	S	.	.	S	Bend	trans	-59.8	-51.7	178.1	-80.5	175.3	0	0	0	111.3	P260 L304 C306 P330	P260-L328 HydrophobicContact CB-CD2 4.24Å; P260-L328 HydrophobicContact CG-CD2 4.2Å; L304-L328 WeakPolarHBondContact O-CD2 3.36Å; C306-L328 HydrophobicContact CB-CD1 4.29Å; C306-L328 HydrophobicContact CB-CD2 3.58Å; C306-L328 HydrophobicContact CB-CG 3.6Å; L328-P330 WeakPolarHBondContact O-CD 3.1Å
329	N	96.1	Very high	97.8	Very high	68 Å²	68	52.1 Å²	52.1	36%	0.364	27%	0.266	S	S	.	.	S	Bend	trans	-75.5	121.4	173.4	-175.9	5.4	0	0	0	109.1	D331 D332	N329-D331 PolarHBondContact O-N 3.36Å; N329-D331 PolarHBondContact OD1-N 3.25Å; N329-D331 VanDerWaalsContact OD1-N 3.11Å; N329-D331 PolarHBondContact OD1-OD2 2.97Å; N329-D332 HydrophobicContact CB-CB 4.48Å; N329-D332 PolarHBondContact O-N 2.76Å; N329-D332 VanDerWaalsContact O-N 3.16Å
330	P	96.4	Very high	97.7	Very high	25 Å²	25	51.8 Å²	51.8	16%	0.162	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-57.1	-31.3	175.2	-24.4	35.3	0	0	0	113	E261 R271 L328 D332 R333	E261-P330 HydrophobicContact CG-CG 4.35Å; R271-P330 HydrophobicContact CB-CB 4.03Å; R271-P330 VanDerWaalsContact CD-O 3.23Å; R271-P330 WeakPolarHBondContact CD-O 3.37Å; L328-P330 WeakPolarHBondContact O-CD 3.1Å; P330-D332 PolarHBondContact O-N 3.13Å; P330-R333 WeakPolarHBondContact O-CB 3.42Å; P330-R333 PolarHBondContact O-N 3.41Å
331	D	96.6	Very high	97.7	Very high	116 Å²	116	52.4 Å²	52.4	62%	0.62	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-65.5	-22.6	-179.4	-66.6	-55.2	0	0	0	113.1	R271 N329 R333	R271-D331 IonicContact CZ-OD1 3.24Å; R271-D331 IonicContact NH1-OD1 2.72Å; R271-D331 PolarHBondContact NH1-OD1 2.82Å; R271-D331 IonicContact NH1-OD2 3.16Å; R271-D331 IonicContact NH2-OD1 3.81Å; N329-D331 PolarHBondContact O-N 3.36Å; N329-D331 PolarHBondContact OD1-N 3.25Å; N329-D331 VanDerWaalsContact OD1-N 3.11Å; N329-D331 PolarHBondContact OD1-OD2 2.97Å; D331-R333 VanDerWaalsContact C-N 3.31Å
332	D	97.7	Very high	97.7	Very high	86 Å²	86	53.2 Å²	53.2	46%	0.46	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-86.7	-4.2	-179.7	-61.7	-18.7	0	0	0	112.7	R327 N329 P330	R327-D332 HydrophobicContact CB-CB 3.91Å; R327-D332 HydrophobicContact CG-CB 4.08Å; R327-D332 IonicContact NH2-OD2 3.6Å; N329-D332 HydrophobicContact CB-CB 4.48Å; N329-D332 PolarHBondContact O-N 2.76Å; N329-D332 VanDerWaalsContact O-N 3.16Å; P330-D332 PolarHBondContact O-N 3.13Å
333	R	98.2	Very high	97.6	Very high	16 Å²	16	58.7 Å²	58.7	6%	0.06	31%	0.306	C	S	.	.	S	Bend	trans	-79.5	139.4	179.6	-59.7	179.7	-167.2	147.2	9.2	109.5	E261 R271 I274 R327 P330 D331	E261-R333 IonicContact OE1-CZ 3.73Å; E261-R333 IonicContact OE1-NH1 2.89Å; E261-R333 PolarHBondContact OE1-NH1 2.75Å; E261-R333 IonicContact OE1-NH2 3.87Å; E261-R333 PolarHBondContact OE1-NH2 2.97Å; E261-R333 IonicContact OE2-CZ 3.16Å; E261-R333 IonicContact OE2-NH1 3.85Å; E261-R333 IonicContact OE2-NH2 2.68Å; E261-R333 PolarHBondContact OE2-NH2 3.32Å; R271-R333 PolarHBondContact O-NH1 2.81Å; I274-R333 HydrophobicContact CB-CB 4.42Å; I274-R333 HydrophobicContact CG2-CB 3.86Å; R327-R333 HydrophobicContact CB-CG 3.97Å; R327-R333 PolarHBondContact O-NE 3.44Å; R327-R333 VanDerWaalsContact O-NE 3.08Å; R327-R333 PolarHBondContact O-NH2 3.23Å; P330-R333 WeakPolarHBondContact O-CB 3.42Å; P330-R333 PolarHBondContact O-N 3.41Å; D331-R333 VanDerWaalsContact C-N 3.31Å
334	P	98.2	Very high	97.6	Very high	13 Å²	13	56.2 Å²	56.2	8%	0.084	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-66.7	155.6	-179.1	28.7	-36.1	0	0	0	111.6	Q324 L325 E338 I339	Q324-P334 HydrophobicContact CB-CG 4.2Å; Q324-P334 WeakPolarHBondContact O-CD 3.23Å; L325-P334 HydrophobicContact CD2-CG 4.11Å; P334-E338 HydrophobicContact CB-CB 3.99Å; P334-I339 HydrophobicContact CB-CG1 4.09Å; P334-I339 HydrophobicContact CG-CD1 4.07Å; P334-I339 HydrophobicContact CG-CG1 3.67Å
335	S	98	Very high	97.5	Very high	55 Å²	55	53.7 Å²	53.7	39%	0.385	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-66.3	159.1	167	68.7	0	0	0	0	111.5	E337 E338 I339	S335-E337 PolarHBondContact O-N 3.01Å; S335-E338 VanDerWaalsContact CB-OE2 3.3Å; S335-E338 WeakPolarHBondContact CB-OE2 3.4Å; S335-E338 PolarHBondContact N-OE2 3.4Å; S335-E338 PolarHBondContact O-N 3.26Å; S335-E338 VanDerWaalsContact OG-CD 3.29Å; S335-E338 VanDerWaalsContact OG-CG 3.31Å; S335-E338 WeakPolarHBondContact OG-CG 3.5Å; S335-E338 PolarHBondContact OG-N 3.24Å; S335-E338 PolarHBondContact OG-OE2 3.2Å; S335-I339 VanDerWaalsContact O-CG1 3.29Å; S335-I339 WeakPolarHBondContact O-CG1 3.04Å; S335-I339 PolarHBondContact O-N 3.1Å
336	L	98	Very high	97.4	Very high	13 Å²	13	57.3 Å²	57.3	7%	0.068	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-26.6	175.9	-69	161.7	0	0	0	113	V203 V206 N207 H210 I274 L277 I339 A340	V203-L336 HydrophobicContact CG1-CB 4.43Å; V203-L336 HydrophobicContact CG1-CD2 4.09Å; V203-L336 WeakPolarHBondContact CG1-O 3.1Å; V206-L336 HydrophobicContact CB-CD1 4.44Å; V206-L336 HydrophobicContact CB-CD2 4.19Å; V206-L336 HydrophobicContact CG1-CD1 3.85Å; V206-L336 HydrophobicContact CG1-CD2 3.91Å; N207-L336 HydrophobicContact CB-CB 4.12Å; N207-L336 HydrophobicContact CB-CD1 4.02Å; H210-L336 HydrophobicContact CB-CD1 4.29Å; H210-L336 WeakPolarHBondContact ND1-CD1 3.48Å; I274-L336 HydrophobicContact CD1-CD1 4.33Å; I274-L336 HydrophobicContact CD1-CD2 3.47Å; I274-L336 VanDerWaalsContact CD1-CD2 3.47Å; I274-L336 HydrophobicContact CD1-CG 3.64Å; L277-L336 HydrophobicContact CD1-CD2 3.72Å; L336-I339 HydrophobicContact CD2-CD1 4.28Å; L336-A340 WeakPolarHBondContact O-CB 3.49Å; L336-A340 PolarHBondContact O-N 2.84Å
337	E	97	Very high	97	Very high	140 Å²	140	65 Å²	65	65%	0.654	33%	0.325	S	S	*	.	H	α-helix	trans	-72	-43	174.9	-176.3	169.2	-173.6	0	0	111.7	S335 I339 A340 N341	S335-E337 PolarHBondContact O-N 3.01Å; E337-I339 VanDerWaalsContact C-N 3.34Å; E337-I339 PolarHBondContact O-N 3.41Å; E337-A340 PolarHBondContact O-N 3.4Å; E337-N341 PolarHBondContact O-N 3.49Å; E337-N341 VanDerWaalsContact O-N 3.13Å; E337-N341 PolarHBondContact O-ND2 2.71Å
338	E	98.1	Very high	96.5	Very high	115 Å²	115	60.8 Å²	60.8	54%	0.537	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-41.4	174	-72.3	160.2	141.1	0	0	111.2	P334 S335 N341 H342	P334-E338 HydrophobicContact CB-CB 3.99Å; S335-E338 VanDerWaalsContact CB-OE2 3.3Å; S335-E338 WeakPolarHBondContact CB-OE2 3.4Å; S335-E338 PolarHBondContact N-OE2 3.4Å; S335-E338 PolarHBondContact O-N 3.26Å; S335-E338 VanDerWaalsContact OG-CD 3.29Å; S335-E338 VanDerWaalsContact OG-CG 3.31Å; S335-E338 WeakPolarHBondContact OG-CG 3.5Å; S335-E338 PolarHBondContact OG-N 3.24Å; S335-E338 PolarHBondContact OG-OE2 3.2Å; E338-N341 CarbonylContact O-C 3.56Å; E338-N341 PolarHBondContact O-N 3.31Å; E338-H342 PolarHBondContact O-N 3.41Å
339	I	98.2	Very high	95.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-46.3	176.3	-61.7	161	0	0	0	111	V203 I274 L277 L321 L325 P334 S335 L336 E337 N341 H342 I345	V203-I339 HydrophobicContact CG1-CB 4.33Å; V203-I339 HydrophobicContact CG1-CG2 4.15Å; V203-I339 HydrophobicContact CG2-CG2 3.58Å; I274-I339 HydrophobicContact CD1-CD1 4.08Å; I274-I339 HydrophobicContact CG2-CD1 3.93Å; L277-I339 HydrophobicContact CD1-CD1 4.33Å; L321-I339 HydrophobicContact CD1-CG2 4.31Å; L325-I339 HydrophobicContact CD2-CD1 3.42Å; L325-I339 VanDerWaalsContact CD2-CD1 3.42Å; L325-I339 HydrophobicContact CD2-CG1 3.8Å; P334-I339 HydrophobicContact CB-CG1 4.09Å; P334-I339 HydrophobicContact CG-CD1 4.07Å; P334-I339 HydrophobicContact CG-CG1 3.67Å; S335-I339 VanDerWaalsContact O-CG1 3.29Å; S335-I339 WeakPolarHBondContact O-CG1 3.04Å; S335-I339 PolarHBondContact O-N 3.1Å; L336-I339 HydrophobicContact CD2-CD1 4.28Å; E337-I339 VanDerWaalsContact C-N 3.34Å; E337-I339 PolarHBondContact O-N 3.41Å; I339-N341 PolarHBondContact O-N 3.18Å; I339-H342 VanDerWaalsContact O-CB 3.28Å; I339-H342 WeakPolarHBondContact O-CB 3.35Å; I339-H342 PolarHBondContact O-N 2.89Å; I339-H342 VanDerWaalsContact O-N 3.17Å; I339-I345 WeakPolarHBondContact O-CG1 3.46Å
340	A	97	Very high	94.8	Very high	40 Å²	40	60 Å²	60	33%	0.331	31%	0.313	S	S	.	.	H	α-helix	trans	-63.3	-29.5	-179.6	0	0	0	0	0	112.9	V203 L336 E337	V203-A340 HydrophobicContact CG1-CB 4.09Å; L336-A340 WeakPolarHBondContact O-CB 3.49Å; L336-A340 PolarHBondContact O-N 2.84Å; E337-A340 PolarHBondContact O-N 3.4Å
341	N	97.2	Very high	93.3	Very high	91 Å²	91	68.3 Å²	68.3	49%	0.487	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	4.3	178.5	-68.8	-65.2	0	0	0	113.7	E337 E338 I339 L346	E337-N341 PolarHBondContact O-N 3.49Å; E337-N341 VanDerWaalsContact O-N 3.13Å; E337-N341 PolarHBondContact O-ND2 2.71Å; E338-N341 CarbonylContact O-C 3.56Å; E338-N341 PolarHBondContact O-N 3.31Å; I339-N341 PolarHBondContact O-N 3.18Å; N341-L346 VanDerWaalsContact O-CD1 3.25Å; N341-L346 WeakPolarHBondContact O-CD1 3.47Å
342	H	98.2	Very high	91.2	Very high	18 Å²	18	71.8 Å²	71.8	8%	0.083	38%	0.38	C	S	.	.	S	Bend	trans	-64.9	143.8	179.3	-166.2	-87	0	0	0	111.4	E317 D320 L321 Q324 E338 I339 F344 I345 L346	E317-H342 PolarHBondContact O-CE1 2.67Å; E317-H342 VanDerWaalsContact O-CE1 3.27Å; D320-H342 IonicContact OD2-CE1 3.8Å; D320-H342 IonicContact OD2-NE2 3.79Å; D320-H342 PolarHBondContact OD2-NE2 3.11Å; L321-H342 HydrophobicContact CD1-CB 4.14Å; L321-H342 HydrophobicContact CD2-CB 4.26Å; Q324-H342 PolarHBondContact NE2-NE2 3.48Å; E338-H342 PolarHBondContact O-N 3.41Å; I339-H342 VanDerWaalsContact O-CB 3.28Å; I339-H342 WeakPolarHBondContact O-CB 3.35Å; I339-H342 PolarHBondContact O-N 2.89Å; I339-H342 VanDerWaalsContact O-N 3.17Å; H342-F344 VanDerWaalsContact C-N 3.25Å; H342-F344 PolarHBondContact ND1-N 3.46Å; H342-F344 PolarHBondContact O-N 3.01Å; H342-I345 PolarHBondContact O-N 3.37Å; H342-L346 PolarHBondContact O-N 3.07Å
343	M	97	Very high	90.9	Very high	114 Å²	114	71.1 Å²	71.1	56%	0.562	38%	0.376	S	S	*	.	H	α-helix	trans	-57	-37.1	-176.6	-71.6	-58.6	106.7	0	0	113.1	E317 I345 L346 R347	E317-M343 HydrophobicContact CG-CB 4.09Å; M343-I345 VanDerWaalsContact C-N 3.3Å; M343-I345 PolarHBondContact O-N 3.27Å; M343-L346 HydrophobicContact CE-CD1 3.76Å; M343-L346 PolarHBondContact O-N 3.38Å; M343-R347 WeakPolarHBondContact O-CB 3.43Å; M343-R347 PolarHBondContact O-N 2.86Å
344	F	97.8	Very high	90.5	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-55.8	-42.4	173.1	-177.7	-101.7	0	0	0	112.8	E192 T195 A196 M281 L285 E317 A318 L321 H342 H348	E192-F344 HydrophobicContact CB-CE2 3.83Å; E192-F344 HydrophobicContact CB-CZ 4.11Å; E192-F344 HydrophobicContact CG-CE2 4.01Å; E192-F344 HydrophobicContact CG-CZ 4.42Å; T195-F344 HydrophobicContact CG2-CE1 4.37Å; T195-F344 HydrophobicContact CG2-CZ 4.37Å; A196-F344 HydrophobicContact CB-CD1 4.2Å; A196-F344 HydrophobicContact CB-CE1 3.72Å; A196-F344 HydrophobicContact CB-CZ 4.13Å; M281-F344 HydrophobicContact CE-CD1 3.42Å; M281-F344 VanDerWaalsContact CE-CD1 3.42Å; M281-F344 HydrophobicContact CE-CD2 4.23Å; M281-F344 HydrophobicContact CE-CE1 3.37Å; M281-F344 HydrophobicContact CE-CE2 4.2Å; M281-F344 HydrophobicContact CE-CG 3.86Å; M281-F344 HydrophobicContact CE-CZ 3.78Å; M281-F344 HydrophobicContact SD-CD1 4.3Å; M281-F344 HydrophobicContact SD-CE1 4.26Å; L285-F344 HydrophobicContact CD1-CZ 4.43Å; E317-F344 HydrophobicContact CB-CB 3.94Å; E317-F344 HydrophobicContact CB-CD2 4.35Å; A318-F344 HydrophobicContact CB-CD2 3.57Å; A318-F344 HydrophobicContact CB-CE2 3.5Å; A318-F344 VanDerWaalsContact CB-CE2 3.5Å; A318-F344 HydrophobicContact CB-CG 4.4Å; A318-F344 HydrophobicContact CB-CZ 4.27Å; L321-F344 HydrophobicContact CD2-CB 4.15Å; L321-F344 HydrophobicContact CD2-CD1 3.99Å; L321-F344 HydrophobicContact CD2-CG 4.44Å; H342-F344 VanDerWaalsContact C-N 3.25Å; H342-F344 PolarHBondContact ND1-N 3.46Å; H342-F344 PolarHBondContact O-N 3.01Å; F344-H348 AromaticContact CD2-CD2 3.98Å; F344-H348 WeakPolarHBondContact O-CB 3.34Å; F344-H348 PolarHBondContact O-CD2 3.42Å
345	I	97	Very high	90.1	Very high	6 Å²	6	77.3 Å²	77.3	3%	0.031	41%	0.41	C	S	.	.	H	α-helix	trans	-72.5	-48.8	178.4	-59.7	-60.5	0	0	0	109.9	A196 M199 A200 L321 I339 H342 M343 R347 H348 V349	A196-I345 HydrophobicContact CB-CD1 4.44Å; M199-I345 HydrophobicContact CB-CD1 3.6Å; A200-I345 HydrophobicContact CB-CG2 3.93Å; L321-I345 HydrophobicContact CD2-CD1 4.38Å; L321-I345 HydrophobicContact CD2-CG1 4.23Å; I339-I345 WeakPolarHBondContact O-CG1 3.46Å; H342-I345 PolarHBondContact O-N 3.37Å; M343-I345 VanDerWaalsContact C-N 3.3Å; M343-I345 PolarHBondContact O-N 3.27Å; I345-R347 PolarHBondContact O-N 3.29Å; I345-H348 PolarHBondContact O-N 2.99Å; I345-V349 HydrophobicContact CG2-CG2 4.03Å; I345-V349 WeakPolarHBondContact O-CB 3.2Å; I345-V349 WeakPolarHBondContact O-CG2 3.1Å; I345-V349 PolarHBondContact O-N 2.8Å
346	L	95.2	Very high	89.7	Confident	76 Å²	76	78.6 Å²	78.6	40%	0.398	41%	0.411	S	S	.	.	H	α-helix	trans	-67.9	-31.6	-174.3	-64.8	-176.9	0	0	0	114.2	N341 H342 M343	N341-L346 VanDerWaalsContact O-CD1 3.25Å; N341-L346 WeakPolarHBondContact O-CD1 3.47Å; H342-L346 PolarHBondContact O-N 3.07Å; M343-L346 HydrophobicContact CE-CD1 3.76Å; M343-L346 PolarHBondContact O-N 3.38Å
347	R	90.5	Very high	89.1	Confident	170 Å²	170	82.8 Å²	82.8	64%	0.642	43%	0.433	S	S	*	.	H	α-helix	trans	-72.4	-32.2	-179.3	-178.6	175.2	179.5	167.9	-1.9	112.6	E317 M343 I345	E317-R347 IonicContact OE1-CZ 3.7Å; E317-R347 IonicContact OE1-NH1 3.84Å; E317-R347 PolarHBondContact OE1-NH1 3.02Å; E317-R347 IonicContact OE2-NH1 2.67Å; M343-R347 WeakPolarHBondContact O-CB 3.43Å; M343-R347 PolarHBondContact O-N 2.86Å; I345-R347 PolarHBondContact O-N 3.29Å
348	H	88	Confident	88.6	Confident	28 Å²	28	78.9 Å²	78.9	13%	0.13	42%	0.418	C	S	.	.	H	α-helix	trans	-108.1	-18.5	-167.4	-74.5	-77.2	0	0	0	113.4	E192 D193 A196 F344 I345 P350	E192-H348 IonicContact OE2-CE1 3.65Å; E192-H348 IonicContact OE2-NE2 3.43Å; D193-H348 IonicContact OD1-CE1 3.48Å; D193-H348 IonicContact OD1-CG 2.6Å; D193-H348 IonicContact OD1-ND1 2.76Å; D193-H348 PolarHBondContact OD1-ND1 2.67Å; A196-H348 HydrophobicContact CB-CB 3.32Å; F344-H348 AromaticContact CD2-CD2 3.98Å; F344-H348 WeakPolarHBondContact O-CB 3.34Å; F344-H348 PolarHBondContact O-CD2 3.42Å; I345-H348 PolarHBondContact O-N 2.99Å; H348-P350 WeakPolarHBondContact O-CD 3.17Å
349	V	83.1	Confident	87.9	Confident	39 Å²	39	76.4 Å²	76.4	24%	0.236	41%	0.409	C	S	.	.	S	Bend	trans	-87.5	120.9	173.8	179.1	0	0	0	0	109.3	A196 A200 I345 K351	A196-V349 HydrophobicContact CB-CG2 4.32Å; A200-V349 HydrophobicContact CB-CG2 3.91Å; I345-V349 HydrophobicContact CG2-CG2 4.03Å; I345-V349 WeakPolarHBondContact O-CB 3.2Å; I345-V349 WeakPolarHBondContact O-CG2 3.1Å; I345-V349 PolarHBondContact O-N 2.8Å; V349-K351 PolarHBondContact O-N 2.89Å
350	P	74.2	Confident	87.1	Confident	100 Å²	100	82.2 Å²	82.2	65%	0.649	44%	0.441	S	S	*	.			trans	-56.9	127.8	173.8	-21	31.1	0	0	0	109.9	H348 S352	H348-P350 WeakPolarHBondContact O-CD 3.17Å; P350-S352 PolarHBondContact O-N 3.33Å; P350-S352 VanDerWaalsContact O-N 3.1Å
351	K	64.2	Low	86.3	Confident	198 Å²	198	85.8 Å²	85.8	86%	0.861	45%	0.45	S	S	*	.			trans	-63.7	112.5	168.9	-65.6	-176.3	-179.4	-179.8	0	107.3	V349	V349-K351 PolarHBondContact O-N 2.89Å
352	S	53.5	Low	85.3	Confident	189 Å²	189	85.3 Å²	85.3	100%	1.322	45%	0.447	S	S	*	.			trans	-66.4	0	178.4	57.4	0	0	0	0	112.7	P350	P350-S352 PolarHBondContact O-N 3.33Å; P350-S352 VanDerWaalsContact O-N 3.1Å

Retrieved 352 of 352 residues in 245.7 ms (Link to these results)

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