A0A077ZAK7_TRITR Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZAK7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 384 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	36	Very low	29	Very low	240 Å²	240	158.6 Å²	158.6	100%	1.182	82%	0.823	S	S	*	*				0	105.1	0	-86.1	172	167.4	0	0	108.1	I3	M1-I3 PolarHBondContact O-N 2.88Å
2	K	29.1	Very low	28.9	Very low	204 Å²	204	158.8 Å²	158.8	89%	0.887	82%	0.817	S	S	*	*			trans	-70.2	121.6	169.9	-78.9	179.5	174.1	179.5	0	107.2	E4	K2-E4 PolarHBondContact O-N 3.34Å
3	I	29.1	Very low	28.7	Very low	165 Å²	165	153.4 Å²	153.4	85%	0.846	81%	0.81	S	S	*	*			trans	-87.4	99.2	172.5	-59.2	174.2	0	0	0	105.2	M1	M1-I3 PolarHBondContact O-N 2.88Å
4	E	27.5	Very low	28.8	Very low	165 Å²	165	149.9 Å²	149.9	77%	0.771	80%	0.801	S	S	*	*			trans	-76.9	134.3	170.1	-77.7	-179.7	170.8	0	0	109.5	K2 A6	K2-E4 PolarHBondContact O-N 3.34Å; E4-A6 PolarHBondContact O-N 2.84Å
5	P	30.1	Very low	28.8	Very low	115 Å²	115	150.3 Å²	150.3	75%	0.747	80%	0.801	S	S	*	*			trans	-70	125.2	178	26.6	-30.1	0	0	0	109.8	N7	P5-N7 PolarHBondContact O-N 3.38Å
6	A	31.2	Very low	28.7	Very low	80 Å²	80	146.6 Å²	146.6	66%	0.661	79%	0.79	S	S	*	*			trans	-60.5	108.3	178.7	0	0	0	0	0	110.7	E4 F8	E4-A6 PolarHBondContact O-N 2.84Å; A6-F8 HydrophobicContact CB-CD2 3.89Å; A6-F8 HydrophobicContact CB-CE2 4.12Å; A6-F8 PolarHBondContact O-N 3.35Å
7	N	25.3	Very low	28.8	Very low	164 Å²	164	149.3 Å²	149.3	88%	0.877	79%	0.794	S	S	*	*			trans	-63.7	92.9	165.2	-85.8	-25.4	0	0	0	109.1	P5	P5-N7 PolarHBondContact O-N 3.38Å
8	F	28.9	Very low	28.8	Very low	159 Å²	159	147.7 Å²	147.7	70%	0.697	79%	0.79	S	S	*	*			trans	-98.7	110.1	168.1	-95.2	-86.5	0	0	0	110.1	A6 L10	A6-F8 HydrophobicContact CB-CD2 3.89Å; A6-F8 HydrophobicContact CB-CE2 4.12Å; A6-F8 PolarHBondContact O-N 3.35Å; F8-L10 PolarHBondContact O-N 3Å
9	L	27.9	Very low	28.6	Very low	159 Å²	159	147.3 Å²	147.3	83%	0.832	79%	0.788	S	S	*	*			trans	-45.8	129.7	174.7	-70.9	161.2	0	0	0	111.7	N11	L9-N11 VanDerWaalsContact C-N 3.34Å; L9-N11 PolarHBondContact O-N 3.33Å
10	L	25.4	Very low	28.6	Very low	133 Å²	133	146.9 Å²	146.9	70%	0.696	79%	0.786	S	S	*	*			trans	-70.2	83.9	173.6	-72.7	160	0	0	0	109.6	F8 H12	F8-L10 PolarHBondContact O-N 3Å; L10-H12 PolarHBondContact O-N 3.38Å
11	N	28.4	Very low	28.5	Very low	161 Å²	161	150.3 Å²	150.3	86%	0.861	79%	0.788	S	S	*	*			trans	-79.3	97.8	161.2	-83.6	-8.2	0	0	0	108.4	L9 A13	L9-N11 VanDerWaalsContact C-N 3.34Å; L9-N11 PolarHBondContact O-N 3.33Å; N11-A13 PolarHBondContact O-N 2.93Å
12	H	27.9	Very low	28.1	Very low	160 Å²	160	146 Å²	146	74%	0.741	77%	0.769	S	S	*	*			trans	-67.7	117	168.1	-73.2	-79.7	0	0	0	109.8	L10	L10-H12 PolarHBondContact O-N 3.38Å
13	A	26.7	Very low	28.3	Very low	89 Å²	89	142.7 Å²	142.7	74%	0.736	77%	0.767	S	S	*	*			trans	-127.7	101.8	148.9	0	0	0	0	0	106.3	N11 I15	N11-A13 PolarHBondContact O-N 2.93Å; A13-I15 PolarHBondContact O-N 3.33Å
14	P	29.2	Very low	28.2	Very low	104 Å²	104	140.9 Å²	140.9	68%	0.675	77%	0.766	S	S	*	*			trans	-65.8	133	171.7	26.2	-27.9	0	0	0	108	S16	P14-S16 PolarHBondContact O-N 3Å
15	I	29.5	Very low	28.1	Very low	156 Å²	156	137.9 Å²	137.9	80%	0.8	77%	0.769	S	S	*	*			trans	-65	89	165.9	-61.3	167.8	0	0	0	105.6	A13 F17	A13-I15 PolarHBondContact O-N 3.33Å; I15-F17 PolarHBondContact O-N 3.4Å
16	S	27.1	Very low	28	Very low	91 Å²	91	136.6 Å²	136.6	64%	0.636	76%	0.763	S	S	*	*			trans	-70.1	117.2	168.8	44.2	0	0	0	0	107.1	P14 V18	P14-S16 PolarHBondContact O-N 3Å; S16-V18 PolarHBondContact O-N 3.46Å
17	F	31	Very low	27.9	Very low	193 Å²	193	141.2 Å²	141.2	85%	0.846	77%	0.77	S	S	*	*			trans	-54.9	111	157.1	-76.9	-90	0	0	0	106.3	I15 N19	I15-F17 PolarHBondContact O-N 3.4Å; F17-N19 PolarHBondContact O-N 2.74Å
18	V	27.4	Very low	28.3	Very low	121 Å²	121	142 Å²	142	73%	0.733	77%	0.773	S	S	*	*			trans	-63	91.7	177.3	177	0	0	0	0	107.1	S16 N20	S16-V18 PolarHBondContact O-N 3.46Å; V18-N20 VanDerWaalsContact C-N 3.27Å; V18-N20 HydrophobicContact CG1-CB 4.36Å; V18-N20 PolarHBondContact O-N 3.22Å
19	N	25.6	Very low	28.2	Very low	139 Å²	139	144 Å²	144	74%	0.743	78%	0.784	S	S	*	*			trans	-67.8	96	158.1	-102.3	-20.5	0	0	0	105.7	F17 R21	F17-N19 PolarHBondContact O-N 2.74Å; N19-R21 PolarHBondContact O-N 3Å
20	N	28.4	Very low	28.2	Very low	140 Å²	140	139.9 Å²	139.9	75%	0.749	78%	0.781	S	S	*	*			trans	-72.4	73	175.7	-149.1	10.2	0	0	0	108.8	V18	V18-N20 VanDerWaalsContact C-N 3.27Å; V18-N20 HydrophobicContact CG1-CB 4.36Å; V18-N20 PolarHBondContact O-N 3.22Å
21	R	26.8	Very low	28.3	Very low	219 Å²	219	138 Å²	138	83%	0.826	78%	0.784	S	S	*	*			trans	-97.3	77.6	164.6	-74.3	-171.3	-174.2	-176.3	1.7	107.5	N19	N19-R21 PolarHBondContact O-N 3Å
22	N	27	Very low	28.2	Very low	149 Å²	149	137.8 Å²	137.8	80%	0.797	78%	0.783	S	S	*	*			trans	-151	72.5	166	-91.3	-23	0	0	0	109
23	T	33.2	Very low	28.4	Very low	135 Å²	135	136.1 Å²	136.1	83%	0.828	78%	0.784	S	S	*	*	S	Bend	trans	-139.4	135.6	149.6	36.6	0	0	0	0	109.2
24	P	27.7	Very low	28.5	Very low	127 Å²	127	139.5 Å²	139.5	83%	0.825	79%	0.79	S	S	*	*			trans	-79.9	129.8	-162.9	-7.9	26.6	0	0	0	111.5	S26	P24-S26 PolarHBondContact O-N 3.47Å
25	A	26.3	Very low	28.5	Very low	102 Å²	102	137.3 Å²	137.3	84%	0.843	79%	0.786	S	S	*	*			trans	-84.6	102.1	166.8	0	0	0	0	0	109.5
26	S	28	Very low	28.9	Very low	88 Å²	88	137.4 Å²	137.4	62%	0.615	79%	0.788	S	S	*	*			trans	-176.9	133.6	150.8	50.7	0	0	0	0	110.7	P24	P24-S26 PolarHBondContact O-N 3.47Å
27	H	28.6	Very low	29.5	Very low	176 Å²	176	140.2 Å²	140.2	82%	0.815	80%	0.795	S	S	*	*			trans	117.1	57.2	168	-56.3	-49	0	0	0	115.5
28	L	34.4	Very low	30	Very low	180 Å²	180	141 Å²	141	94%	0.942	79%	0.794	S	S	*	*			trans	-133.3	92.7	142.9	-73.4	174	0	0	0	108
29	H	26.8	Very low	30.9	Very low	201 Å²	201	143.7 Å²	143.7	93%	0.931	80%	0.798	S	S	*	*			trans	-94.6	140.4	163.1	-93.7	10.2	0	0	0	108.4
30	G	27.8	Very low	32	Very low	73 Å²	73	146.4 Å²	146.4	75%	0.753	80%	0.803	S	S	*	*			trans	123.7	80	173.9	0	0	0	0	0	111
31	A	26.8	Very low	33.4	Very low	94 Å²	94	149.2 Å²	149.2	78%	0.777	81%	0.809	S	S	*	*				76.7	115	79.6	0	0	0	0	0	113.9
32	N	26.2	Very low	35.9	Very low	156 Å²	156	146.7 Å²	146.7	83%	0.834	80%	0.804	S	S	*	*			trans	66.3	121.1	157.9	-65.4	-23.9	0	0	0	118.9
33	V	32	Very low	39	Very low	126 Å²	126	145.9 Å²	145.9	76%	0.764	79%	0.793	S	S	*	*				174.5	123.6	99.1	163.8	0	0	0	0	109.1
34	N	28.7	Very low	42	Very low	159 Å²	159	141.6 Å²	141.6	85%	0.85	77%	0.768	S	S	*	*			trans	27.1	125.5	150.4	-61.9	-18.7	0	0	0	121.2
35	G	29.5	Very low	45.3	Very low	59 Å²	59	136.8 Å²	136.8	61%	0.608	74%	0.735	S	S	*	*			trans	111.2	96.2	131.4	0	0	0	0	0	114.8	I37	G35-I37 VanDerWaalsContact C-N 3.32Å; G35-I37 PolarHBondContact O-N 3.44Å
36	D	37.1	Very low	48.7	Very low	157 Å²	157	132.5 Å²	132.5	84%	0.84	70%	0.698	S	S	*	*			trans	14.2	66.4	144.8	-59.7	-28.7	0	0	0	116.5	Y38	D36-Y38 VanDerWaalsContact C-N 3.26Å; D36-Y38 PolarHBondContact O-N 2.84Å
37	I	40.1	Very low	52.1	Low	151 Å²	151	128.3 Å²	128.3	77%	0.774	67%	0.669	S	S	*	*			trans	-75.6	95.6	156.5	-55.9	175.6	0	0	0	103.6	G35 E39	G35-I37 VanDerWaalsContact C-N 3.32Å; G35-I37 PolarHBondContact O-N 3.44Å; I37-E39 PolarHBondContact O-N 3.27Å
38	Y	41.8	Very low	55.4	Low	209 Å²	209	120 Å²	120	82%	0.82	63%	0.63	S	S	*	*			trans	-42.9	102.3	151.7	-84	-97.2	0	0	0	105.7	D36 K40	D36-Y38 VanDerWaalsContact C-N 3.26Å; D36-Y38 PolarHBondContact O-N 2.84Å; Y38-K40 PolarHBondContact O-N 3.28Å
39	E	46.1	Very low	58.5	Low	177 Å²	177	111.4 Å²	111.4	83%	0.827	59%	0.585	S	S	*	*			trans	-52.7	103.5	168.4	-87.2	-172.4	151.7	0	0	104.1	I37 K41	I37-E39 PolarHBondContact O-N 3.27Å; E39-K41 PolarHBondContact O-N 3.43Å
40	K	48.2	Very low	61.8	Low	196 Å²	196	102.9 Å²	102.9	85%	0.852	55%	0.545	S	S	*	.			trans	-54.8	102.1	169.9	-84.3	-177.8	176.4	176.7	0	103.7	Y38 K42	Y38-K40 PolarHBondContact O-N 3.28Å; K40-K42 PolarHBondContact O-N 3.14Å
41	K	59	Low	65	Low	200 Å²	200	100.2 Å²	100.2	87%	0.87	51%	0.513	S	S	*	.			trans	-48.5	113.7	-180	-80	-176.2	175.4	179.5	0	105.7	E39 K43	E39-K41 PolarHBondContact O-N 3.43Å; K41-K43 PolarHBondContact O-N 2.98Å
42	K	79.5	Confident	67.9	Low	165 Å²	165	98.7 Å²	98.7	72%	0.717	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-50.6	134.7	-179.1	-72.2	-179.2	179.5	176.2	0	107.2	K40 N70	K40-K42 PolarHBondContact O-N 3.14Å; K42-N70 PolarHBondContact O-ND2 3.28Å
43	K	90.7	Very high	71	Confident	133 Å²	133	91.9 Å²	91.9	58%	0.578	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-53.5	139.4	176.7	-171.7	179.2	176.5	179	0	109	K41 E82	K41-K43 PolarHBondContact O-N 2.98Å; K43-E82 IonicContact NZ-OE2 2.71Å; K43-E82 PolarHBondContact NZ-OE2 3.44Å
44	P	95.9	Very high	73.5	Confident	44 Å²	44	88.8 Å²	88.8	29%	0.286	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-61.7	142.6	177.2	24.3	-34.3	0	0	0	110.8	N70 R72	P44-N70 WeakPolarHBondContact CA-O 3.49Å; P44-N70 WeakPolarHBondContact CB-O 3.2Å; P44-R72 HydrophobicContact CB-CB 4.11Å; P44-R72 HydrophobicContact CG-CB 4.48Å
45	L	97.7	Very high	76.1	Confident	27 Å²	27	84.6 Å²	84.6	14%	0.141	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.5	167.6	-62.7	-178.2	0	0	0	108.3	N70 C71 R72 S84 L337 R338 A341	L45-N70 PolarHBondContact N-O 3.3Å; L45-C71 CarbonylContact O-C 3.56Å; L45-C71 VanDerWaalsContact O-CA 3.26Å; L45-C71 WeakPolarHBondContact O-CA 3.49Å; L45-R72 PolarHBondContact O-N 2.86Å; L45-S84 WeakPolarHBondContact CD2-OG 3.4Å; L45-L337 HydrophobicContact CD1-CB 4.01Å; L45-R338 HydrophobicContact CD1-CG 4Å; L45-A341 HydrophobicContact CD1-CB 4.42Å
46	L	98.4	Very high	78.6	Confident	12 Å²	12	83 Å²	83	6%	0.063	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.6	-177.4	-53.6	177.6	0	0	0	110.5	R72 L79 E82 S84 A85	L46-R72 WeakPolarHBondContact CA-O 3.26Å; L46-R72 HydrophobicContact CD2-CB 4Å; L46-R72 HydrophobicContact CD2-CG 4.46Å; L46-L79 HydrophobicContact CD1-CB 4.11Å; L46-L79 HydrophobicContact CD1-CD1 4.02Å; L46-E82 HydrophobicContact CD1-CB 4.1Å; L46-S84 PolarHBondContact O-N 3.14Å; L46-A85 PolarHBondContact O-N 3.17Å
47	I	98.7	Very high	81.2	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	105	168.7	-59.7	170.5	0	0	0	105.8	M49 C71 R72 I73 T74 V87 L333 C334 L337	I47-M49 HydrophobicContact CG2-SD 4.38Å; I47-C71 HydrophobicContact CD1-CB 4.13Å; I47-R72 PolarHBondContact N-O 3.05Å; I47-I73 HydrophobicContact CB-CG1 4.25Å; I47-I73 HydrophobicContact CD1-CG1 4.49Å; I47-I73 HydrophobicContact CG2-CG1 4.48Å; I47-I73 WeakPolarHBondContact O-CA 3.38Å; I47-T74 PolarHBondContact O-N 3.19Å; I47-V87 HydrophobicContact CG2-CG2 3.64Å; I47-L333 HydrophobicContact CD1-CD2 4.1Å; I47-L333 HydrophobicContact CD1-CG 4.16Å; I47-L333 HydrophobicContact CG1-CD2 4.48Å; I47-L333 HydrophobicContact CG2-CD2 3.89Å; I47-C334 HydrophobicContact CD1-CB 4.5Å; I47-L337 HydrophobicContact CD1-CD1 4.15Å; I47-L337 HydrophobicContact CG1-CD1 3.65Å
48	L	98.5	Very high	83.8	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	111.7	177.5	176.6	58.4	0	0	0	109.1	W50 T74 D76 I80 S83 A85 I86 V87	L48-W50 HydrophobicContact CD2-CE3 4.11Å; L48-W50 HydrophobicContact CD2-CZ3 4.3Å; L48-W50 PolarHBondContact O-N 3.23Å; L48-T74 WeakPolarHBondContact CA-O 3.33Å; L48-T74 HydrophobicContact CB-CG2 4.38Å; L48-T74 HydrophobicContact CD1-CG2 4.04Å; L48-D76 WeakPolarHBondContact CD1-O 3.29Å; L48-I80 HydrophobicContact CD2-CB 4.06Å; L48-I80 HydrophobicContact CD2-CG1 4.26Å; L48-S83 WeakPolarHBondContact CB-OG 3.34Å; L48-A85 PolarHBondContact N-O 2.86Å; L48-I86 HydrophobicContact CB-CG1 4.27Å; L48-I86 HydrophobicContact CD2-CG1 4.22Å; L48-I86 CarbonylContact O-C 3.58Å; L48-I86 VanDerWaalsContact O-CA 3.29Å; L48-I86 WeakPolarHBondContact O-CA 3.24Å; L48-V87 PolarHBondContact O-N 3.03Å
49	M	98.1	Very high	86.3	Confident	1 Å²	1	65 Å²	65	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	113.3	168.1	-59.8	-61.3	-61.2	0	0	107.4	I47 I58 I73 T74 F75 V87 F112	I47-M49 HydrophobicContact CG2-SD 4.38Å; M49-I58 HydrophobicContact CE-CB 4.15Å; M49-I58 HydrophobicContact CE-CG1 4.2Å; M49-I58 HydrophobicContact CE-CG2 4.27Å; M49-I58 HydrophobicContact SD-CG2 4.31Å; M49-I73 HydrophobicContact CG-CG2 3.64Å; M49-T74 PolarHBondContact N-O 3.29Å; M49-F75 HydrophobicContact CB-CD1 3.64Å; M49-F75 HydrophobicContact CB-CE1 3.26Å; M49-F75 HydrophobicContact CB-CE2 4.21Å; M49-F75 HydrophobicContact CB-CG 4.27Å; M49-F75 HydrophobicContact CB-CZ 3.59Å; M49-F75 HydrophobicContact CG-CE1 4.01Å; M49-F75 HydrophobicContact CG-CE2 4.23Å; M49-F75 HydrophobicContact CG-CZ 3.79Å; M49-V87 HydrophobicContact CE-CB 4.13Å; M49-V87 HydrophobicContact CE-CG1 3.88Å; M49-V87 HydrophobicContact SD-CB 3.65Å; M49-V87 HydrophobicContact SD-CG1 3.95Å; M49-V87 HydrophobicContact SD-CG2 3.93Å; M49-F112 HydrophobicContact CE-CD1 4.35Å
50	W	97.4	Very high	88.8	Confident	21 Å²	21	59.7 Å²	59.7	8%	0.08	29%	0.293	C	S	.	.	S	Bend	trans	-74.3	-35.7	-176.7	-168.3	-112.4	0	0	0	111.8	L48 R77 I80 I86 V87 H88 D97 P99	L48-W50 HydrophobicContact CD2-CE3 4.11Å; L48-W50 HydrophobicContact CD2-CZ3 4.3Å; L48-W50 PolarHBondContact O-N 3.23Å; W50-R77 HydrophobicContact CE3-CG 4.07Å; W50-R77 HydrophobicContact CH2-CB 4.46Å; W50-R77 HydrophobicContact CH2-CG 4.23Å; W50-R77 HydrophobicContact CZ3-CB 4.07Å; W50-R77 HydrophobicContact CZ3-CG 3.78Å; W50-R77 PolarHBondContact O-NH2 3.16Å; W50-R77 VanDerWaalsContact O-NH2 3.15Å; W50-I80 HydrophobicContact CH2-CD1 4.47Å; W50-I80 HydrophobicContact CZ3-CD1 4.03Å; W50-I86 HydrophobicContact CB-CG2 3.91Å; W50-I86 HydrophobicContact CE3-CG2 4.25Å; W50-I86 HydrophobicContact CG-CG2 4.39Å; W50-V87 WeakPolarHBondContact CB-O 3.32Å; W50-V87 PolarHBondContact N-O 2.51Å; W50-H88 AromaticContact CD1-CE1 3.68Å; W50-H88 AromaticContact CD1-ND1 3.6Å; W50-H88 AromaticContact CG-CE1 3.71Å; W50-H88 AromaticContact CG-ND1 3.8Å; W50-D97 PolarHBondContact NE1-O 2.8Å; W50-P99 HydrophobicContact CD2-CB 4.42Å; W50-P99 HydrophobicContact CD2-CG 4.39Å; W50-P99 HydrophobicContact CE3-CB 4.25Å; W50-P99 HydrophobicContact CH2-CB 3.98Å; W50-P99 HydrophobicContact CZ2-CB 4.18Å; W50-P99 HydrophobicContact CZ3-CB 4.02Å
51	E	93.8	Very high	91.1	Very high	17 Å²	17	55.1 Å²	55.1	8%	0.079	27%	0.274	C	S	.	.	S	Bend	trans	-122.4	157.2	166.9	-64.6	78.1	-164.2	0	0	110.5	H88 Y89 T92 L93	E51-H88 IonicContact OE2-ND1 3.21Å; E51-Y89 PolarHBondContact OE2-N 2.73Å; E51-T92 WeakPolarHBondContact CB-OG1 3.17Å; E51-L93 WeakPolarHBondContact OE1-CA 3.34Å; E51-L93 WeakPolarHBondContact OE1-CD1 3.42Å
52	D	89.7	Confident	92.9	Very high	63 Å²	63	46.3 Å²	46.3	34%	0.337	24%	0.236	S	C	.	.			trans	-78.5	151.2	164.2	-150.3	-2.6	0	0	0	111.7	H57 I58 F75 T92	D52-H57 WeakPolarHBondContact OD1-CA 3.5Å; D52-H57 IonicContact OD1-ND1 3.85Å; D52-H57 IonicContact OD2-CE1 2.69Å; D52-H57 IonicContact OD2-CG 2.86Å; D52-H57 IonicContact OD2-ND1 3.85Å; D52-H57 PolarHBondContact OD2-ND1 2.8Å; D52-I58 PolarHBondContact OD1-N 2.99Å; D52-F75 HydrophobicContact CB-CE1 3.88Å; D52-F75 HydrophobicContact CB-CZ 4.49Å; D52-T92 PolarHBondContact O-OG1 3.04Å
53	Y	90.3	Very high	93.8	Very high	12 Å²	12	39 Å²	39	5%	0.047	20%	0.204	C	C	.	.			trans	-75.2	135	175	167.8	-119.2	0	0	0	110	D55 A56 I58 Y89 F112 M114 F322 F326	Y53-D55 VanDerWaalsContact C-N 3.27Å; Y53-D55 HydrophobicContact CD1-CB 4.47Å; Y53-D55 HydrophobicContact CE1-CB 3.6Å; Y53-D55 PolarHBondContact O-N 3.3Å; Y53-D55 VanDerWaalsContact O-N 3.15Å; Y53-D55 WeakPolarHBondContact OH-CB 3.43Å; Y53-D55 PolarHBondContact OH-OD2 3.45Å; Y53-A56 WeakPolarHBondContact CB-O 3.3Å; Y53-A56 HydrophobicContact CD1-CB 3.97Å; Y53-A56 WeakPolarHBondContact CD1-O 3.29Å; Y53-A56 HydrophobicContact CE1-CB 4.16Å; Y53-A56 PolarHBondContact O-N 3.48Å; Y53-A56 VanDerWaalsContact O-O 3.13Å; Y53-I58 HydrophobicContact CD1-CD1 4.12Å; Y53-I58 HydrophobicContact CG-CD1 4.5Å; Y53-Y89 HydrophobicContact CD2-CD1 4.03Å; Y53-Y89 AromaticContact CD2-CD2 3.85Å; Y53-Y89 HydrophobicContact CD2-CD2 3.85Å; Y53-Y89 AromaticContact CD2-CE1 3.64Å; Y53-Y89 HydrophobicContact CD2-CE1 3.64Å; Y53-Y89 AromaticContact CD2-CE2 3.44Å; Y53-Y89 HydrophobicContact CD2-CE2 3.44Å; Y53-Y89 VanDerWaalsContact CD2-CE2 3.44Å; Y53-Y89 HydrophobicContact CD2-CG 4.15Å; Y53-Y89 AromaticContact CD2-CZ 3.36Å; Y53-Y89 HydrophobicContact CE2-CE1 4.09Å; Y53-Y89 AromaticContact CE2-CE2 3.71Å; Y53-Y89 HydrophobicContact CE2-CE2 3.71Å; Y53-Y89 AromaticContact CE2-CZ 3.47Å; Y53-Y89 VanDerWaalsContact CE2-CZ 3.47Å; Y53-Y89 WeakPolarHBondContact CE2-OH 3.07Å; Y53-F112 HydrophobicContact CD2-CE1 4.47Å; Y53-F112 HydrophobicContact CG-CE1 4.48Å; Y53-M114 HydrophobicContact CE2-CB 4.19Å; Y53-M114 HydrophobicContact CE2-CG 4.2Å; Y53-F322 AromaticContact CE1-CZ 3.93Å; Y53-F322 HydrophobicContact CE1-CZ 3.93Å; Y53-F326 AromaticContact CD1-CE2 3.92Å; Y53-F326 HydrophobicContact CD1-CE2 3.92Å; Y53-F326 AromaticContact CD1-CZ 3.72Å; Y53-F326 HydrophobicContact CD1-CZ 3.72Å; Y53-F326 AromaticContact CE1-CE2 3.76Å; Y53-F326 HydrophobicContact CE1-CE2 3.76Å; Y53-F326 AromaticContact CE1-CZ 3.45Å; Y53-F326 HydrophobicContact CE1-CZ 3.45Å; Y53-F326 VanDerWaalsContact CE1-CZ 3.45Å; Y53-F326 HydrophobicContact CG-CZ 4.49Å
54	S	84.5	Confident	94.1	Very high	61 Å²	61	37 Å²	37	43%	0.427	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.6	-168.4	51.1	0	0	0	0	115.4	Y89	S54-Y89 WeakPolarHBondContact OG-CE1 3.23Å
55	D	82.7	Confident	94.2	Very high	72 Å²	72	42.5 Å²	42.5	39%	0.385	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-8.3	-174.2	-51.5	-75	0	0	0	114.2	Y53 T219	Y53-D55 VanDerWaalsContact C-N 3.27Å; Y53-D55 HydrophobicContact CD1-CB 4.47Å; Y53-D55 HydrophobicContact CE1-CB 3.6Å; Y53-D55 PolarHBondContact O-N 3.3Å; Y53-D55 VanDerWaalsContact O-N 3.15Å; Y53-D55 WeakPolarHBondContact OH-CB 3.43Å; Y53-D55 PolarHBondContact OH-OD2 3.45Å; D55-T219 PolarHBondContact O-OG1 3.15Å
56	A	83.3	Confident	94.2	Very high	24 Å²	24	41.7 Å²	41.7	20%	0.198	21%	0.208	C	C	.	.	S	Bend	trans	-164.8	143.4	177.6	0	0	0	0	0	112	Y53 I58 F326	Y53-A56 WeakPolarHBondContact CB-O 3.3Å; Y53-A56 HydrophobicContact CD1-CB 3.97Å; Y53-A56 WeakPolarHBondContact CD1-O 3.29Å; Y53-A56 HydrophobicContact CE1-CB 4.16Å; Y53-A56 PolarHBondContact O-N 3.48Å; Y53-A56 VanDerWaalsContact O-O 3.13Å; A56-I58 PolarHBondContact O-N 2.88Å; A56-F326 HydrophobicContact CB-CE2 4.46Å
57	H	91.2	Very high	94.1	Very high	105 Å²	105	45.5 Å²	45.5	49%	0.486	24%	0.236	S	C	.	.			trans	-70.6	118.2	171.6	-176.1	62.1	0	0	0	111.4	D52 S59 F75	D52-H57 WeakPolarHBondContact OD1-CA 3.5Å; D52-H57 IonicContact OD1-ND1 3.85Å; D52-H57 IonicContact OD2-CE1 2.69Å; D52-H57 IonicContact OD2-CG 2.86Å; D52-H57 IonicContact OD2-ND1 3.85Å; D52-H57 PolarHBondContact OD2-ND1 2.8Å; H57-S59 PolarHBondContact O-N 2.97Å; H57-S59 VanDerWaalsContact O-N 3.11Å; H57-F75 AromaticContact CE1-CD2 3.69Å; H57-F75 AromaticContact CE1-CE2 3.15Å; H57-F75 WeakPolarHBondContact CE1-CE2 3.41Å; H57-F75 AromaticContact CE1-CZ 3.55Å; H57-F75 AromaticContact ND1-CE2 3.88Å; H57-F75 AromaticContact ND1-CZ 3.82Å; H57-F75 AromaticContact NE2-CE2 3.79Å
58	I	94.3	Very high	94	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.			trans	-81.5	90.2	179.2	-55.8	-60.1	0	0	0	109.9	M49 D52 Y53 A56 Y62 I73 F75 F326 M330	M49-I58 HydrophobicContact CE-CB 4.15Å; M49-I58 HydrophobicContact CE-CG1 4.2Å; M49-I58 HydrophobicContact CE-CG2 4.27Å; M49-I58 HydrophobicContact SD-CG2 4.31Å; D52-I58 PolarHBondContact OD1-N 2.99Å; Y53-I58 HydrophobicContact CD1-CD1 4.12Å; Y53-I58 HydrophobicContact CG-CD1 4.5Å; A56-I58 PolarHBondContact O-N 2.88Å; I58-Y62 HydrophobicContact CD1-CD2 4.3Å; I58-Y62 HydrophobicContact CD1-CE2 4.01Å; I58-Y62 HydrophobicContact CG2-CD2 4.1Å; I58-I73 HydrophobicContact CG2-CD1 4.18Å; I58-I73 VanDerWaalsContact O-CG2 3.3Å; I58-I73 WeakPolarHBondContact O-CG2 3.45Å; I58-F75 WeakPolarHBondContact O-CE2 3.45Å; I58-F326 HydrophobicContact CD1-CD1 4.18Å; I58-F326 HydrophobicContact CD1-CD2 3.57Å; I58-F326 HydrophobicContact CD1-CE1 4.28Å; I58-F326 HydrophobicContact CD1-CE2 3.62Å; I58-F326 HydrophobicContact CD1-CG 3.92Å; I58-F326 HydrophobicContact CD1-CZ 4.01Å; I58-M330 HydrophobicContact CG2-CE 3.73Å; I58-M330 HydrophobicContact CG2-CG 4.34Å; I58-M330 HydrophobicContact CG2-SD 4Å
59	S	95.4	Very high	93.9	Very high	34 Å²	34	54.1 Å²	54.1	24%	0.238	28%	0.282	C	S	.	.			trans	-96.1	174.7	-177.8	83.2	0	0	0	0	113.5	H57 E61 Y62 I73	H57-S59 PolarHBondContact O-N 2.97Å; H57-S59 VanDerWaalsContact O-N 3.11Å; S59-E61 PolarHBondContact O-N 3.03Å; S59-E61 VanDerWaalsContact O-N 3.07Å; S59-E61 VanDerWaalsContact OG-CB 3.3Å; S59-E61 WeakPolarHBondContact OG-CB 3.41Å; S59-E61 PolarHBondContact OG-N 2.82Å; S59-E61 VanDerWaalsContact OG-N 3.14Å; S59-Y62 PolarHBondContact O-N 3.29Å; S59-Y62 VanDerWaalsContact O-N 3.13Å; S59-I73 VanDerWaalsContact O-CD1 3.29Å; S59-I73 WeakPolarHBondContact O-CD1 3.46Å
60	N	97.6	Very high	93.9	Very high	67 Å²	67	56.8 Å²	56.8	36%	0.358	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-60.1	-14.1	172.1	-75.3	-74	0	0	0	113.8	Y62 L63 R72 I73	N60-Y62 PolarHBondContact O-N 3.1Å; N60-L63 PolarHBondContact O-N 2.68Å; N60-L63 VanDerWaalsContact O-N 3.08Å; N60-R72 WeakPolarHBondContact OD1-CA 3.31Å; N60-R72 WeakPolarHBondContact OD1-CG 3.31Å; N60-I73 PolarHBondContact ND2-O 3.34Å; N60-I73 PolarHBondContact OD1-N 2.9Å
61	E	96.6	Very high	94	Very high	100 Å²	100	56.6 Å²	56.6	47%	0.467	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-55	-36.7	172	-168.9	-163.8	159.2	0	0	111.2	S59 L63 K64 H327	S59-E61 PolarHBondContact O-N 3.03Å; S59-E61 VanDerWaalsContact O-N 3.07Å; S59-E61 VanDerWaalsContact OG-CB 3.3Å; S59-E61 WeakPolarHBondContact OG-CB 3.41Å; S59-E61 PolarHBondContact OG-N 2.82Å; S59-E61 VanDerWaalsContact OG-N 3.14Å; E61-L63 PolarHBondContact O-N 3.36Å; E61-L63 VanDerWaalsContact O-N 3.09Å; E61-K64 HydrophobicContact CG-CD 4.05Å; E61-K64 VanDerWaalsContact O-CB 3.29Å; E61-K64 WeakPolarHBondContact O-CB 3.42Å; E61-K64 VanDerWaalsContact O-CG 3.25Å; E61-K64 WeakPolarHBondContact O-CG 3.45Å; E61-K64 PolarHBondContact O-N 3.44Å; E61-K64 IonicContact OE1-NZ 2.67Å; E61-K64 PolarHBondContact OE1-NZ 2.7Å; E61-H327 PolarHBondContact O-CE1 2.74Å; E61-H327 VanDerWaalsContact O-CE1 3.24Å
62	Y	97	Very high	94.2	Very high	15 Å²	15	62.3 Å²	62.3	6%	0.059	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-67.9	-12.1	-177.7	-64.6	-62.7	0	0	0	113.9	I58 S59 N60 P323 F326 H327	I58-Y62 HydrophobicContact CD1-CD2 4.3Å; I58-Y62 HydrophobicContact CD1-CE2 4.01Å; I58-Y62 HydrophobicContact CG2-CD2 4.1Å; S59-Y62 PolarHBondContact O-N 3.29Å; S59-Y62 VanDerWaalsContact O-N 3.13Å; N60-Y62 PolarHBondContact O-N 3.1Å; Y62-P323 HydrophobicContact CE1-CB 4.29Å; Y62-P323 HydrophobicContact CE1-CG 4.3Å; Y62-P323 WeakPolarHBondContact OH-CG 3.41Å; Y62-F326 HydrophobicContact CD1-CB 3.4Å; Y62-F326 VanDerWaalsContact CD1-CB 3.4Å; Y62-F326 HydrophobicContact CD1-CG 4.47Å; Y62-F326 HydrophobicContact CD2-CB 4.27Å; Y62-F326 HydrophobicContact CE1-CB 3.62Å; Y62-F326 AromaticContact CE1-CD2 3.97Å; Y62-F326 HydrophobicContact CE1-CD2 3.97Å; Y62-F326 HydrophobicContact CE1-CG 4.31Å; Y62-F326 HydrophobicContact CE2-CB 4.44Å; Y62-F326 HydrophobicContact CE2-CD2 4.18Å; Y62-F326 HydrophobicContact CG-CB 3.75Å; Y62-F326 AromaticContact CZ-CD2 3.76Å; Y62-H327 WeakPolarHBondContact CA-ND1 3.36Å; Y62-H327 AromaticContact CD1-CE1 3.79Å; Y62-H327 AromaticContact CD1-ND1 3.96Å; Y62-H327 WeakPolarHBondContact O-CA 3.29Å; Y62-H327 PolarHBondContact O-ND1 3.45Å
63	L	98.2	Very high	94.6	Very high	10 Å²	10	59.6 Å²	59.6	5%	0.052	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-95.2	-0	174.1	-65.7	171.6	0	0	0	113.9	N60 E61 Y65 C66 S67 C71 I73 M330 C334	N60-L63 PolarHBondContact O-N 2.68Å; N60-L63 VanDerWaalsContact O-N 3.08Å; E61-L63 PolarHBondContact O-N 3.36Å; E61-L63 VanDerWaalsContact O-N 3.09Å; L63-Y65 PolarHBondContact O-N 2.98Å; L63-Y65 VanDerWaalsContact O-N 3.11Å; L63-C66 CarbonylContact O-C 3.54Å; L63-C66 PolarHBondContact O-N 3.42Å; L63-C66 PolarHBondContact O-SG 2.86Å; L63-S67 PolarHBondContact O-N 2.89Å; L63-C71 HydrophobicContact CD1-CB 4.05Å; L63-C71 WeakPolarHBondContact CD1-O 3.33Å; L63-I73 HydrophobicContact CD1-CD1 3.87Å; L63-I73 HydrophobicContact CD1-CG1 3.84Å; L63-I73 HydrophobicContact CG-CD1 3.89Å; L63-I73 HydrophobicContact CG-CG1 4.38Å; L63-M330 HydrophobicContact CD2-CB 3.89Å; L63-M330 HydrophobicContact CG-CB 4.47Å; L63-C334 HydrophobicContact CD2-CB 4.04Å
64	K	97.4	Very high	95	Very high	91 Å²	91	60 Å²	60	40%	0.396	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-59.5	-28.2	-171.8	74.6	-170.9	177.6	-160.6	0	115	E61 C66 H327	E61-K64 HydrophobicContact CG-CD 4.05Å; E61-K64 VanDerWaalsContact O-CB 3.29Å; E61-K64 WeakPolarHBondContact O-CB 3.42Å; E61-K64 VanDerWaalsContact O-CG 3.25Å; E61-K64 WeakPolarHBondContact O-CG 3.45Å; E61-K64 PolarHBondContact O-N 3.44Å; E61-K64 IonicContact OE1-NZ 2.67Å; E61-K64 PolarHBondContact OE1-NZ 2.7Å; K64-C66 VanDerWaalsContact C-N 3.33Å; K64-H327 WeakPolarHBondContact CE-CE1 3.49Å
65	Y	96.9	Very high	95.6	Very high	161 Å²	161	60.1 Å²	60.1	63%	0.631	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-88.6	2.3	179.9	-58.1	-46.1	0	0	0	113.9	L63 H327	L63-Y65 PolarHBondContact O-N 2.98Å; L63-Y65 VanDerWaalsContact O-N 3.11Å; Y65-H327 HydrophobicContact CD2-CB 3.78Å; Y65-H327 AromaticContact CD2-CG 3.6Å; Y65-H327 AromaticContact CD2-ND1 3.73Å; Y65-H327 HydrophobicContact CE2-CB 4.17Å; Y65-H327 AromaticContact CE2-CD2 3.6Å; Y65-H327 AromaticContact CE2-CE1 3.97Å; Y65-H327 AromaticContact CE2-CG 3.61Å; Y65-H327 AromaticContact CE2-ND1 3.83Å; Y65-H327 AromaticContact CE2-NE2 3.81Å
66	C	98	Very high	96.3	Very high	9 Å²	9	60.5 Å²	60.5	6%	0.061	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-143.2	36.8	177.8	57.1	0	0	0	0	111.4	L63 K64 D68 L69 C331	L63-C66 CarbonylContact O-C 3.54Å; L63-C66 PolarHBondContact O-N 3.42Å; L63-C66 PolarHBondContact O-SG 2.86Å; K64-C66 VanDerWaalsContact C-N 3.33Å; C66-D68 VanDerWaalsContact CA-OD1 3.28Å; C66-D68 WeakPolarHBondContact CA-OD1 3.39Å; C66-D68 PolarHBondContact O-N 3.25Å; C66-L69 HydrophobicContact CB-CD1 3.83Å; C66-L69 HydrophobicContact CB-CG 4.13Å; C66-L69 WeakPolarHBondContact O-CB 3.28Å; C66-L69 PolarHBondContact O-N 3.38Å; C66-C331 HydrophobicContact CB-CB 3.67Å; C66-C331 WeakPolarHBondContact CB-SG 3.48Å; C66-C331 WeakPolarHBondContact SG-CA 3.45Å; C66-C331 WeakPolarHBondContact SG-CB 3.49Å; C66-C331 CovalentContact SG-SG 2.03Å; C66-C331 PolarHBondContact SG-SG 2.85Å
67	S	96.9	Very high	96.9	Very high	92 Å²	92	63.6 Å²	63.6	64%	0.643	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-60.6	-25.5	-178.5	54.3	0	0	0	0	113.3	L63 L69 N70	L63-S67 PolarHBondContact O-N 2.89Å; S67-L69 VanDerWaalsContact C-N 3.27Å; S67-L69 PolarHBondContact O-N 3.23Å; S67-N70 WeakPolarHBondContact O-CA 3.26Å; S67-N70 PolarHBondContact O-N 2.83Å
68	D	96.5	Very high	97.2	Very high	131 Å²	131	62.7 Å²	62.7	70%	0.701	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-62.9	-29.9	173.3	59.2	-52.3	0	0	0	112.8	C66 N70	C66-D68 VanDerWaalsContact CA-OD1 3.28Å; C66-D68 WeakPolarHBondContact CA-OD1 3.39Å; C66-D68 PolarHBondContact O-N 3.25Å; D68-N70 PolarHBondContact O-N 3.43Å
69	L	97.3	Very high	97.4	Very high	51 Å²	51	64.6 Å²	64.6	27%	0.267	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-71.3	-11.3	170.8	-57.9	-179.6	0	0	0	112.4	C66 S67 C71 C334 R338	C66-L69 HydrophobicContact CB-CD1 3.83Å; C66-L69 HydrophobicContact CB-CG 4.13Å; C66-L69 WeakPolarHBondContact O-CB 3.28Å; C66-L69 PolarHBondContact O-N 3.38Å; S67-L69 VanDerWaalsContact C-N 3.27Å; S67-L69 PolarHBondContact O-N 3.23Å; L69-C71 PolarHBondContact O-N 2.88Å; L69-C334 WeakPolarHBondContact CB-SG 3.45Å; L69-C334 HydrophobicContact CD1-CB 4.26Å; L69-R338 HydrophobicContact CB-CG 4.49Å; L69-R338 VanDerWaalsContact O-CZ 3.28Å; L69-R338 PolarHBondContact O-NE 3.06Å; L69-R338 PolarHBondContact O-NH2 3.32Å; L69-R338 VanDerWaalsContact O-NH2 3.15Å
70	N	97.1	Very high	97.5	Very high	57 Å²	57	64.1 Å²	64.1	31%	0.305	32%	0.319	S	S	.	.			trans	53.1	46.2	169.1	-178.3	34.4	0	0	0	113.7	K42 P44 L45 S67 D68 R338	K42-N70 PolarHBondContact O-ND2 3.28Å; P44-N70 WeakPolarHBondContact CA-O 3.49Å; P44-N70 WeakPolarHBondContact CB-O 3.2Å; L45-N70 PolarHBondContact N-O 3.3Å; S67-N70 WeakPolarHBondContact O-CA 3.26Å; S67-N70 PolarHBondContact O-N 2.83Å; D68-N70 PolarHBondContact O-N 3.43Å; N70-R338 PolarHBondContact ND2-NH2 2.92Å; N70-R338 PolarHBondContact O-NH2 2.84Å
71	C	98.4	Very high	97.5	Very high	16 Å²	16	66.2 Å²	66.2	11%	0.108	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	163.9	166.6	-60.3	0	0	0	0	110.8	L45 I47 L63 L69 C334	L45-C71 CarbonylContact O-C 3.56Å; L45-C71 VanDerWaalsContact O-CA 3.26Å; L45-C71 WeakPolarHBondContact O-CA 3.49Å; I47-C71 HydrophobicContact CD1-CB 4.13Å; L63-C71 HydrophobicContact CD1-CB 4.05Å; L63-C71 WeakPolarHBondContact CD1-O 3.33Å; L69-C71 PolarHBondContact O-N 2.88Å; C71-C334 HydrophobicContact CB-CB 3.75Å; C71-C334 WeakPolarHBondContact CB-SG 3.38Å; C71-C334 WeakPolarHBondContact SG-CA 3.43Å; C71-C334 WeakPolarHBondContact SG-CB 3.25Å; C71-C334 CovalentContact SG-SG 2.02Å; C71-C334 PolarHBondContact SG-SG 3.3Å
72	R	98.4	Very high	97.4	Very high	138 Å²	138	66.2 Å²	66.2	52%	0.521	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	130.2	172.9	-178.8	179	172.1	122.4	-3.2	110.5	P44 L45 L46 I47 N60	P44-R72 HydrophobicContact CB-CB 4.11Å; P44-R72 HydrophobicContact CG-CB 4.48Å; L45-R72 PolarHBondContact O-N 2.86Å; L46-R72 WeakPolarHBondContact CA-O 3.26Å; L46-R72 HydrophobicContact CD2-CB 4Å; L46-R72 HydrophobicContact CD2-CG 4.46Å; I47-R72 PolarHBondContact N-O 3.05Å; N60-R72 WeakPolarHBondContact OD1-CA 3.31Å; N60-R72 WeakPolarHBondContact OD1-CG 3.31Å
73	I	98.5	Very high	97.5	Very high	5 Å²	5	65.6 Å²	65.6	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	136.3	171.1	-65	157	0	0	0	109.1	I47 M49 I58 S59 N60 L63 F75 M330	I47-I73 HydrophobicContact CB-CG1 4.25Å; I47-I73 HydrophobicContact CD1-CG1 4.49Å; I47-I73 HydrophobicContact CG2-CG1 4.48Å; I47-I73 WeakPolarHBondContact O-CA 3.38Å; M49-I73 HydrophobicContact CG-CG2 3.64Å; I58-I73 HydrophobicContact CG2-CD1 4.18Å; I58-I73 VanDerWaalsContact O-CG2 3.3Å; I58-I73 WeakPolarHBondContact O-CG2 3.45Å; S59-I73 VanDerWaalsContact O-CD1 3.29Å; S59-I73 WeakPolarHBondContact O-CD1 3.46Å; N60-I73 PolarHBondContact ND2-O 3.34Å; N60-I73 PolarHBondContact OD1-N 2.9Å; L63-I73 HydrophobicContact CD1-CD1 3.87Å; L63-I73 HydrophobicContact CD1-CG1 3.84Å; L63-I73 HydrophobicContact CG-CD1 3.89Å; L63-I73 HydrophobicContact CG-CG1 4.38Å; I73-F75 HydrophobicContact CG2-CE2 4.27Å; I73-M330 HydrophobicContact CD1-CG 4.19Å; I73-M330 HydrophobicContact CD1-SD 4.13Å
74	T	98.1	Very high	97.5	Very high	20 Å²	20	66 Å²	66	12%	0.123	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.1	177	-172.6	0	0	0	0	110.8	I47 L48 M49 D76 L79	I47-T74 PolarHBondContact O-N 3.19Å; L48-T74 WeakPolarHBondContact CA-O 3.33Å; L48-T74 HydrophobicContact CB-CG2 4.38Å; L48-T74 HydrophobicContact CD1-CG2 4.04Å; M49-T74 PolarHBondContact N-O 3.29Å; T74-D76 WeakPolarHBondContact OG1-CB 3.48Å; T74-D76 PolarHBondContact OG1-N 3.36Å; T74-D76 VanDerWaalsContact OG1-N 3.14Å; T74-L79 HydrophobicContact CG2-CD1 4.25Å
75	F	97.6	Very high	97.5	Very high	65 Å²	65	61.7 Å²	61.7	29%	0.285	31%	0.313	S	S	.	.			trans	-114.7	2.7	171.3	-68.1	-95.2	0	0	0	111.5	M49 D52 H57 I58 I73 R77	M49-F75 HydrophobicContact CB-CD1 3.64Å; M49-F75 HydrophobicContact CB-CE1 3.26Å; M49-F75 HydrophobicContact CB-CE2 4.21Å; M49-F75 HydrophobicContact CB-CG 4.27Å; M49-F75 HydrophobicContact CB-CZ 3.59Å; M49-F75 HydrophobicContact CG-CE1 4.01Å; M49-F75 HydrophobicContact CG-CE2 4.23Å; M49-F75 HydrophobicContact CG-CZ 3.79Å; D52-F75 HydrophobicContact CB-CE1 3.88Å; D52-F75 HydrophobicContact CB-CZ 4.49Å; H57-F75 AromaticContact CE1-CD2 3.69Å; H57-F75 AromaticContact CE1-CE2 3.15Å; H57-F75 WeakPolarHBondContact CE1-CE2 3.41Å; H57-F75 AromaticContact CE1-CZ 3.55Å; H57-F75 AromaticContact ND1-CE2 3.88Å; H57-F75 AromaticContact ND1-CZ 3.82Å; H57-F75 AromaticContact NE2-CE2 3.79Å; I58-F75 WeakPolarHBondContact O-CE2 3.45Å; I73-F75 HydrophobicContact CG2-CE2 4.27Å; F75-R77 PolarHBondContact O-N 2.99Å; F75-R77 VanDerWaalsContact O-N 3.1Å
76	D	97.7	Very high	97.6	Very high	79 Å²	79	54 Å²	54	42%	0.422	28%	0.283	S	S	.	.			trans	-74.7	100.3	178.3	-176.2	-6.3	0	0	0	110.2	L48 T74 S78 L79	L48-D76 WeakPolarHBondContact CD1-O 3.29Å; T74-D76 WeakPolarHBondContact OG1-CB 3.48Å; T74-D76 PolarHBondContact OG1-N 3.36Å; T74-D76 VanDerWaalsContact OG1-N 3.14Å; D76-S78 PolarHBondContact O-N 3.42Å; D76-S78 VanDerWaalsContact O-N 3.17Å; D76-S78 VanDerWaalsContact OD1-CB 3.27Å; D76-S78 WeakPolarHBondContact OD1-CB 3.37Å; D76-S78 PolarHBondContact OD1-N 3.02Å; D76-S78 PolarHBondContact OD1-OG 3.4Å; D76-S78 PolarHBondContact OD2-OG 3.34Å; D76-L79 HydrophobicContact CB-CD1 4.08Å; D76-L79 HydrophobicContact CB-CG 4.26Å; D76-L79 WeakPolarHBondContact O-CB 3.22Å; D76-L79 PolarHBondContact O-N 3.46Å; D76-L79 VanDerWaalsContact O-N 3.1Å
77	R	96.9	Very high	97.6	Very high	89 Å²	89	53.6 Å²	53.6	34%	0.336	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-63.3	-17.8	-178.9	-65.6	-175.9	172.6	-174.4	-2.9	113.7	W50 F75 L79 I80 D97	W50-R77 HydrophobicContact CE3-CG 4.07Å; W50-R77 HydrophobicContact CH2-CB 4.46Å; W50-R77 HydrophobicContact CH2-CG 4.23Å; W50-R77 HydrophobicContact CZ3-CB 4.07Å; W50-R77 HydrophobicContact CZ3-CG 3.78Å; W50-R77 PolarHBondContact O-NH2 3.16Å; W50-R77 VanDerWaalsContact O-NH2 3.15Å; F75-R77 PolarHBondContact O-N 2.99Å; F75-R77 VanDerWaalsContact O-N 3.1Å; R77-L79 PolarHBondContact O-N 2.62Å; R77-I80 WeakPolarHBondContact O-CB 3.24Å; R77-I80 PolarHBondContact O-N 3.44Å; R77-D97 IonicContact CZ-OD1 3.01Å; R77-D97 IonicContact CZ-OD2 3.07Å; R77-D97 VanDerWaalsContact CZ-OD2 3.22Å; R77-D97 IonicContact NH1-OD1 3.15Å; R77-D97 PolarHBondContact NH1-OD1 2.85Å; R77-D97 IonicContact NH1-OD2 2.58Å; R77-D97 PolarHBondContact NH1-OD2 2.91Å; R77-D97 IonicContact NH2-OD2 2.81Å; R77-D97 PolarHBondContact NH2-OD2 3.33Å
78	S	97.4	Very high	97.6	Very high	86 Å²	86	49.2 Å²	49.2	60%	0.601	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-65.5	-23.6	174.8	73.6	0	0	0	0	112.4	D76 I80	D76-S78 PolarHBondContact O-N 3.42Å; D76-S78 VanDerWaalsContact O-N 3.17Å; D76-S78 VanDerWaalsContact OD1-CB 3.27Å; D76-S78 WeakPolarHBondContact OD1-CB 3.37Å; D76-S78 PolarHBondContact OD1-N 3.02Å; D76-S78 PolarHBondContact OD1-OG 3.4Å; D76-S78 PolarHBondContact OD2-OG 3.34Å; S78-I80 PolarHBondContact O-N 3.18Å
79	L	97.6	Very high	97.7	Very high	40 Å²	40	43 Å²	43	21%	0.209	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-84.4	11.6	179.8	-58.5	177.1	0	0	0	113.4	L46 T74 D76 R77 N81 E82 S83	L46-L79 HydrophobicContact CD1-CB 4.11Å; L46-L79 HydrophobicContact CD1-CD1 4.02Å; T74-L79 HydrophobicContact CG2-CD1 4.25Å; D76-L79 HydrophobicContact CB-CD1 4.08Å; D76-L79 HydrophobicContact CB-CG 4.26Å; D76-L79 WeakPolarHBondContact O-CB 3.22Å; D76-L79 PolarHBondContact O-N 3.46Å; D76-L79 VanDerWaalsContact O-N 3.1Å; R77-L79 PolarHBondContact O-N 2.62Å; L79-N81 VanDerWaalsContact C-N 3.28Å; L79-N81 PolarHBondContact O-N 3.44Å; L79-E82 CarbonylContact O-C 3.55Å; L79-E82 PolarHBondContact O-N 2.03Å; L79-S83 WeakPolarHBondContact O-CB 3.37Å; L79-S83 PolarHBondContact O-N 2.85Å; L79-S83 PolarHBondContact O-OG 2.97Å
80	I	97.5	Very high	97.7	Very high	24 Å²	24	40.5 Å²	40.5	12%	0.123	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-54	-42.5	-178.2	-167.8	178.1	0	0	0	112.7	L48 W50 R77 S78 E82 S83 I86 P99 P100 Q107	L48-I80 HydrophobicContact CD2-CB 4.06Å; L48-I80 HydrophobicContact CD2-CG1 4.26Å; W50-I80 HydrophobicContact CH2-CD1 4.47Å; W50-I80 HydrophobicContact CZ3-CD1 4.03Å; R77-I80 WeakPolarHBondContact O-CB 3.24Å; R77-I80 PolarHBondContact O-N 3.44Å; S78-I80 PolarHBondContact O-N 3.18Å; I80-E82 PolarHBondContact O-N 3.22Å; I80-S83 PolarHBondContact O-N 3.09Å; I80-I86 HydrophobicContact CD1-CD1 4.04Å; I80-I86 HydrophobicContact CG1-CD1 3.57Å; I80-I86 HydrophobicContact CG1-CG1 4.42Å; I80-P99 HydrophobicContact CD1-CB 3.56Å; I80-P100 VanDerWaalsContact CD1-CD 3.42Å; I80-P100 HydrophobicContact CD1-CG 4.37Å; I80-Q107 PolarHBondContact O-NE2 3.26Å
81	N	96.6	Very high	97.5	Very high	112 Å²	112	43.7 Å²	43.7	60%	0.599	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-76.4	-10.8	-178.9	-68.4	-31.9	0	0	0	113.6	L79 L104	L79-N81 VanDerWaalsContact C-N 3.28Å; L79-N81 PolarHBondContact O-N 3.44Å; N81-L104 HydrophobicContact CB-CD1 4.44Å; N81-L104 WeakPolarHBondContact O-CD1 3.01Å
82	E	96.2	Very high	97.2	Very high	100 Å²	100	45.7 Å²	45.7	47%	0.467	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-103.8	-6	177	-61.4	-178.5	-136	0	0	112.2	K43 L46 L79 I80	K43-E82 IonicContact NZ-OE2 2.71Å; K43-E82 PolarHBondContact NZ-OE2 3.44Å; L46-E82 HydrophobicContact CD1-CB 4.1Å; L79-E82 CarbonylContact O-C 3.55Å; L79-E82 PolarHBondContact O-N 2.03Å; I80-E82 PolarHBondContact O-N 3.22Å
83	S	97.8	Very high	97	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.9	-173.3	-63.3	0	0	0	0	112.2	L48 L79 I80 Q107	L48-S83 WeakPolarHBondContact CB-OG 3.34Å; L79-S83 WeakPolarHBondContact O-CB 3.37Å; L79-S83 PolarHBondContact O-N 2.85Å; L79-S83 PolarHBondContact O-OG 2.97Å; I80-S83 PolarHBondContact O-N 3.09Å; S83-Q107 WeakPolarHBondContact O-CG 2.96Å; S83-Q107 PolarHBondContact O-NE2 2.91Å
84	S	97.7	Very high	96.9	Very high	19 Å²	19	43.1 Å²	43.1	13%	0.133	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-27.3	176.9	-50.9	0	0	0	0	111.8	L45 L46 H108	L45-S84 WeakPolarHBondContact CD2-OG 3.4Å; L46-S84 PolarHBondContact O-N 3.14Å; S84-H108 PolarHBondContact O-N 3.07Å
85	A	98.6	Very high	96.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	146.3	172	0	0	0	0	0	111.5	L46 L48 H108 V110 L337	L46-A85 PolarHBondContact O-N 3.17Å; L48-A85 PolarHBondContact N-O 2.86Å; A85-H108 CarbonylContact C-O 3.6Å; A85-H108 VanDerWaalsContact CA-O 3.27Å; A85-H108 WeakPolarHBondContact CA-O 3.34Å; A85-H108 HydrophobicContact CB-CB 4.34Å; A85-V110 HydrophobicContact CB-CG2 4.16Å; A85-L337 HydrophobicContact CB-CD1 3.63Å; A85-L337 HydrophobicContact CB-CD2 3.85Å; A85-L337 HydrophobicContact CB-CG 4.35Å
86	I	98.5	Very high	96.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.4	165.9	-62	157.9	0	0	0	107	L48 W50 I80 P99 Q107 H108 Y109 V110	L48-I86 HydrophobicContact CB-CG1 4.27Å; L48-I86 HydrophobicContact CD2-CG1 4.22Å; L48-I86 CarbonylContact O-C 3.58Å; L48-I86 VanDerWaalsContact O-CA 3.29Å; L48-I86 WeakPolarHBondContact O-CA 3.24Å; W50-I86 HydrophobicContact CB-CG2 3.91Å; W50-I86 HydrophobicContact CE3-CG2 4.25Å; W50-I86 HydrophobicContact CG-CG2 4.39Å; I80-I86 HydrophobicContact CD1-CD1 4.04Å; I80-I86 HydrophobicContact CG1-CD1 3.57Å; I80-I86 HydrophobicContact CG1-CG1 4.42Å; I86-P99 HydrophobicContact CG2-CG 4.36Å; I86-Q107 HydrophobicContact CD1-CG 4.15Å; I86-H108 PolarHBondContact N-O 3.1Å; I86-Y109 HydrophobicContact CB-CD1 4.02Å; I86-Y109 HydrophobicContact CB-CE1 4.25Å; I86-Y109 HydrophobicContact CB-CG 4.43Å; I86-Y109 HydrophobicContact CD1-CD1 3.94Å; I86-Y109 HydrophobicContact CD1-CE1 3.33Å; I86-Y109 HydrophobicContact CG1-CD1 4.47Å; I86-Y109 HydrophobicContact CG1-CE1 4.3Å; I86-Y109 CarbonylContact O-C 3.59Å; I86-Y109 VanDerWaalsContact O-CA 3.29Å; I86-Y109 WeakPolarHBondContact O-CA 3.12Å; I86-V110 PolarHBondContact O-N 3.36Å
87	V	98.5	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.6	-176.6	-175.7	0	0	0	0	108.6	I47 L48 M49 W50 V110 F112 M137 L333	I47-V87 HydrophobicContact CG2-CG2 3.64Å; L48-V87 PolarHBondContact O-N 3.03Å; M49-V87 HydrophobicContact CE-CB 4.13Å; M49-V87 HydrophobicContact CE-CG1 3.88Å; M49-V87 HydrophobicContact SD-CB 3.65Å; M49-V87 HydrophobicContact SD-CG1 3.95Å; M49-V87 HydrophobicContact SD-CG2 3.93Å; W50-V87 WeakPolarHBondContact CB-O 3.32Å; W50-V87 PolarHBondContact N-O 2.51Å; V87-V110 HydrophobicContact CB-CB 4.46Å; V87-V110 HydrophobicContact CG1-CB 4.41Å; V87-V110 HydrophobicContact CG2-CB 4.12Å; V87-V110 HydrophobicContact CG2-CG2 4.23Å; V87-F112 HydrophobicContact CG1-CB 3.59Å; V87-F112 HydrophobicContact CG1-CD1 4.04Å; V87-F112 HydrophobicContact CG1-CG 4.14Å; V87-M137 HydrophobicContact CG1-CE 3.77Å; V87-L333 HydrophobicContact CG2-CD2 3.86Å
88	H	97.6	Very high	96.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114.4	178.7	-67.4	-66.6	0	0	0	109.7	W50 E51 D90 L93 P99 Y109 V110 F112 Y132 Y133	W50-H88 AromaticContact CD1-CE1 3.68Å; W50-H88 AromaticContact CD1-ND1 3.6Å; W50-H88 AromaticContact CG-CE1 3.71Å; W50-H88 AromaticContact CG-ND1 3.8Å; E51-H88 IonicContact OE2-ND1 3.21Å; H88-D90 PolarHBondContact O-N 2.83Å; H88-L93 HydrophobicContact CB-CD1 4.29Å; H88-L93 HydrophobicContact CB-CD2 4.2Å; H88-L93 WeakPolarHBondContact ND1-CD1 3.48Å; H88-P99 VanDerWaalsContact CE1-CD 3.45Å; H88-P99 WeakPolarHBondContact CE1-CD 3.36Å; H88-P99 VanDerWaalsContact CE1-CG 3.42Å; H88-P99 WeakPolarHBondContact CE1-CG 3.35Å; H88-Y109 AromaticContact NE2-CD2 3.38Å; H88-Y109 WeakPolarHBondContact NE2-CD2 3.48Å; H88-Y109 AromaticContact NE2-CE2 3.98Å; H88-Y109 AromaticContact NE2-CG 3.88Å; H88-V110 PolarHBondContact N-O 3.04Å; H88-F112 WeakPolarHBondContact O-CA 3.46Å; H88-F112 WeakPolarHBondContact O-CB 3.13Å; H88-F112 PolarHBondContact O-N 3.24Å; H88-Y132 AromaticContact NE2-CE1 3.99Å; H88-Y133 HydrophobicContact CB-CE1 3.86Å; H88-Y133 AromaticContact CD2-CE1 3.68Å
89	Y	97.2	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	104.8	170.6	-174.8	-117	0	0	0	109.1	E51 Y53 S54 R91 T92 L93 F112 L113	E51-Y89 PolarHBondContact OE2-N 2.73Å; Y53-Y89 HydrophobicContact CD2-CD1 4.03Å; Y53-Y89 AromaticContact CD2-CD2 3.85Å; Y53-Y89 HydrophobicContact CD2-CD2 3.85Å; Y53-Y89 AromaticContact CD2-CE1 3.64Å; Y53-Y89 HydrophobicContact CD2-CE1 3.64Å; Y53-Y89 AromaticContact CD2-CE2 3.44Å; Y53-Y89 HydrophobicContact CD2-CE2 3.44Å; Y53-Y89 VanDerWaalsContact CD2-CE2 3.44Å; Y53-Y89 HydrophobicContact CD2-CG 4.15Å; Y53-Y89 AromaticContact CD2-CZ 3.36Å; Y53-Y89 HydrophobicContact CE2-CE1 4.09Å; Y53-Y89 AromaticContact CE2-CE2 3.71Å; Y53-Y89 HydrophobicContact CE2-CE2 3.71Å; Y53-Y89 AromaticContact CE2-CZ 3.47Å; Y53-Y89 VanDerWaalsContact CE2-CZ 3.47Å; Y53-Y89 WeakPolarHBondContact CE2-OH 3.07Å; S54-Y89 WeakPolarHBondContact OG-CE1 3.23Å; Y89-R91 HydrophobicContact CD1-CB 4.13Å; Y89-R91 HydrophobicContact CE1-CB 3.48Å; Y89-R91 VanDerWaalsContact CE1-CB 3.48Å; Y89-R91 PolarHBondContact O-N 2.94Å; Y89-T92 HydrophobicContact CD1-CG2 4.05Å; Y89-T92 WeakPolarHBondContact CD1-OG1 3.32Å; Y89-T92 HydrophobicContact CE1-CG2 4.28Å; Y89-T92 PolarHBondContact O-N 3.49Å; Y89-T92 VanDerWaalsContact O-N 3.11Å; Y89-T92 PolarHBondContact O-OG1 2.94Å; Y89-L93 PolarHBondContact O-N 3.32Å; Y89-L93 VanDerWaalsContact O-N 3.11Å; Y89-F112 WeakPolarHBondContact CA-O 3.35Å; Y89-F112 AromaticContact CD2-CD1 3.68Å; Y89-F112 HydrophobicContact CD2-CD1 3.68Å; Y89-F112 AromaticContact CD2-CE1 3.97Å; Y89-F112 HydrophobicContact CD2-CE1 3.97Å; Y89-F112 HydrophobicContact CD2-CG 4.08Å; Y89-F112 WeakPolarHBondContact CD2-O 3.44Å; Y89-F112 HydrophobicContact CG-CD1 4.34Å; Y89-L113 HydrophobicContact CE2-CD1 4.15Å
90	D	97	Very high	96.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-37.4	-166.9	171.2	70.5	0	0	0	113.6	H88 T92 L93 F111 F112 L113 V120 S121	H88-D90 PolarHBondContact O-N 2.83Å; D90-T92 VanDerWaalsContact C-N 3.32Å; D90-T92 PolarHBondContact O-N 3.45Å; D90-L93 PolarHBondContact O-N 2.97Å; D90-F111 HydrophobicContact CB-CD2 4.19Å; D90-F111 HydrophobicContact CB-CE2 3.53Å; D90-F111 HydrophobicContact CB-CZ 4.26Å; D90-F112 PolarHBondContact N-O 3.14Å; D90-L113 HydrophobicContact CB-CB 4.41Å; D90-L113 HydrophobicContact CB-CD1 4.2Å; D90-L113 HydrophobicContact CB-CD2 4.42Å; D90-V120 WeakPolarHBondContact OD2-CA 3.26Å; D90-S121 VanDerWaalsContact O-CB 3.27Å; D90-S121 WeakPolarHBondContact O-CB 3.48Å; D90-S121 PolarHBondContact OD1-OG 3.37Å; D90-S121 PolarHBondContact OD2-N 3.1Å; D90-S121 PolarHBondContact OD2-OG 3.02Å
91	R	94.1	Very high	95.8	Very high	124 Å²	124	49.1 Å²	49.1	47%	0.468	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.9	-176.6	-101.1	-168.3	68.9	81.7	2.8	115.4	Y89 L113	Y89-R91 HydrophobicContact CD1-CB 4.13Å; Y89-R91 HydrophobicContact CE1-CB 3.48Å; Y89-R91 VanDerWaalsContact CE1-CB 3.48Å; Y89-R91 PolarHBondContact O-N 2.94Å; R91-L113 HydrophobicContact CG-CD1 4.1Å
92	T	92.8	Very high	95.6	Very high	58 Å²	58	52.9 Å²	52.9	36%	0.356	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-0.8	-178.7	55.6	0	0	0	0	112.1	E51 D52 Y89 D90 N94	E51-T92 WeakPolarHBondContact CB-OG1 3.17Å; D52-T92 PolarHBondContact O-OG1 3.04Å; Y89-T92 HydrophobicContact CD1-CG2 4.05Å; Y89-T92 WeakPolarHBondContact CD1-OG1 3.32Å; Y89-T92 HydrophobicContact CE1-CG2 4.28Å; Y89-T92 PolarHBondContact O-N 3.49Å; Y89-T92 VanDerWaalsContact O-N 3.11Å; Y89-T92 PolarHBondContact O-OG1 2.94Å; D90-T92 VanDerWaalsContact C-N 3.32Å; D90-T92 PolarHBondContact O-N 3.45Å; T92-N94 PolarHBondContact O-N 3.19Å
93	L	94	Very high	95.6	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.058	25%	0.253	C	S	.	.			trans	-61.4	121.2	179.3	-176.5	62.5	0	0	0	110.3	E51 H88 Y89 D90 P95 L98 A124 L128 Y133	E51-L93 WeakPolarHBondContact OE1-CA 3.34Å; E51-L93 WeakPolarHBondContact OE1-CD1 3.42Å; H88-L93 HydrophobicContact CB-CD1 4.29Å; H88-L93 HydrophobicContact CB-CD2 4.2Å; H88-L93 WeakPolarHBondContact ND1-CD1 3.48Å; Y89-L93 PolarHBondContact O-N 3.32Å; Y89-L93 VanDerWaalsContact O-N 3.11Å; D90-L93 PolarHBondContact O-N 2.97Å; L93-P95 WeakPolarHBondContact O-CD 3.16Å; L93-L98 HydrophobicContact CD1-CD2 3.41Å; L93-L98 VanDerWaalsContact CD1-CD2 3.41Å; L93-L98 HydrophobicContact CD2-CD2 4.24Å; L93-L98 HydrophobicContact CG-CD2 3.87Å; L93-A124 HydrophobicContact CB-CB 4.23Å; L93-A124 HydrophobicContact CD2-CB 3.83Å; L93-A124 HydrophobicContact CG-CB 4.03Å; L93-L128 HydrophobicContact CD2-CD1 3.54Å; L93-Y133 WeakPolarHBondContact CD2-OH 3.22Å
94	N	94.9	Very high	95.5	Very high	77 Å²	77	52.8 Å²	52.8	41%	0.412	27%	0.266	S	S	.	.			trans	-91.1	114.2	177.4	179.2	0.8	0	0	0	110	T92 S96 D97	T92-N94 PolarHBondContact O-N 3.19Å; N94-S96 PolarHBondContact O-N 3.11Å; N94-S96 PolarHBondContact OD1-N 2.9Å; N94-D97 HydrophobicContact CB-CB 4.07Å; N94-D97 CarbonylContact O-C 3.55Å; N94-D97 PolarHBondContact O-N 3.16Å
95	P	93.7	Very high	95.4	Very high	45 Å²	45	55.7 Å²	55.7	29%	0.292	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.3	179	-26.6	35.9	0	0	0	114.9	L93 V123 A124 M127	L93-P95 WeakPolarHBondContact O-CD 3.16Å; P95-V123 HydrophobicContact CB-CG1 4.15Å; P95-V123 HydrophobicContact CG-CB 4Å; P95-V123 HydrophobicContact CG-CG1 3.67Å; P95-A124 HydrophobicContact CG-CB 4.03Å; P95-M127 HydrophobicContact CB-CE 3.65Å; P95-M127 HydrophobicContact CB-SD 4.41Å
96	S	95	Very high	95.3	Very high	115 Å²	115	59.9 Å²	59.9	80%	0.804	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.9	178.8	-57.9	0	0	0	0	113.8	N94	N94-S96 PolarHBondContact O-N 3.11Å; N94-S96 PolarHBondContact OD1-N 2.9Å
97	D	95.6	Very high	95.2	Very high	59 Å²	59	60.1 Å²	60.1	32%	0.316	31%	0.305	S	S	.	.	S	Bend	trans	-134.2	65.8	-176.1	176.7	35.6	0	0	0	109.5	W50 R77 N94	W50-D97 PolarHBondContact NE1-O 2.8Å; R77-D97 IonicContact CZ-OD1 3.01Å; R77-D97 IonicContact CZ-OD2 3.07Å; R77-D97 VanDerWaalsContact CZ-OD2 3.22Å; R77-D97 IonicContact NH1-OD1 3.15Å; R77-D97 PolarHBondContact NH1-OD1 2.85Å; R77-D97 IonicContact NH1-OD2 2.58Å; R77-D97 PolarHBondContact NH1-OD2 2.91Å; R77-D97 IonicContact NH2-OD2 2.81Å; R77-D97 PolarHBondContact NH2-OD2 3.33Å; N94-D97 HydrophobicContact CB-CB 4.07Å; N94-D97 CarbonylContact O-C 3.55Å; N94-D97 PolarHBondContact O-N 3.16Å
98	L	96	Very high	95.2	Very high	49 Å²	49	60.2 Å²	60.2	26%	0.257	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-103.5	151	179.5	-65.6	-179.1	0	0	0	111.2	L93 M127 L128	L93-L98 HydrophobicContact CD1-CD2 3.41Å; L93-L98 VanDerWaalsContact CD1-CD2 3.41Å; L93-L98 HydrophobicContact CD2-CD2 4.24Å; L93-L98 HydrophobicContact CG-CD2 3.87Å; L98-M127 HydrophobicContact CD1-CE 3.42Å; L98-M127 VanDerWaalsContact CD1-CE 3.42Å; L98-L128 HydrophobicContact CD1-CD1 4.11Å; L98-L128 HydrophobicContact CD1-CD2 4.05Å; L98-L128 HydrophobicContact CD2-CD1 4.14Å
99	P	95.2	Very high	95.3	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.032	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-64.7	167.2	166.6	33.4	-38.5	0	0	0	110.4	W50 I80 I86 H88 R101 Y109	W50-P99 HydrophobicContact CD2-CB 4.42Å; W50-P99 HydrophobicContact CD2-CG 4.39Å; W50-P99 HydrophobicContact CE3-CB 4.25Å; W50-P99 HydrophobicContact CH2-CB 3.98Å; W50-P99 HydrophobicContact CZ2-CB 4.18Å; W50-P99 HydrophobicContact CZ3-CB 4.02Å; I80-P99 HydrophobicContact CD1-CB 3.56Å; I86-P99 HydrophobicContact CG2-CG 4.36Å; H88-P99 VanDerWaalsContact CE1-CD 3.45Å; H88-P99 WeakPolarHBondContact CE1-CD 3.36Å; H88-P99 VanDerWaalsContact CE1-CG 3.42Å; H88-P99 WeakPolarHBondContact CE1-CG 3.35Å; P99-R101 PolarHBondContact O-N 2.96Å; P99-Y109 HydrophobicContact CB-CE2 4.23Å; P99-Y109 HydrophobicContact CG-CD2 4.24Å; P99-Y109 HydrophobicContact CG-CE2 3.5Å; P99-Y109 VanDerWaalsContact CG-CE2 3.5Å
100	P	93.7	Very high	95.3	Very high	76 Å²	76	60.2 Å²	60.2	49%	0.494	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-52.4	125.7	178.4	-26.6	35.9	0	0	0	112.3	I80 K102 Y109	I80-P100 VanDerWaalsContact CD1-CD 3.42Å; I80-P100 HydrophobicContact CD1-CG 4.37Å; P100-K102 CarbonylContact O-C 3.45Å; P100-K102 PolarHBondContact O-N 3.28Å; P100-Y109 PolarHBondContact O-OH 3.49Å
101	R	91.6	Very high	95.4	Very high	181 Å²	181	60.2 Å²	60.2	68%	0.683	31%	0.306	S	S	*	.	S	Bend	trans	-56.2	-31.5	-178	-170.6	172.6	-176.5	160.1	3.2	113.3	P99 Y132	P99-R101 PolarHBondContact O-N 2.96Å; R101-Y132 HydrophobicContact CG-CD2 4.33Å; R101-Y132 HydrophobicContact CG-CE2 4.35Å
102	K	92.9	Very high	95.6	Very high	191 Å²	191	54.3 Å²	54.3	83%	0.83	28%	0.283	S	S	*	.	S	Bend	trans	-87.8	110.8	172.1	-173	178	-178.3	179.7	0	109.6	P100	P100-K102 CarbonylContact O-C 3.45Å; P100-K102 PolarHBondContact O-N 3.28Å
103	R	95	Very high	95.8	Very high	43 Å²	43	51.6 Å²	51.6	16%	0.162	27%	0.266	C	S	.	.			trans	-72.9	158.7	176.2	-41.3	-176.3	167.1	56.1	24.7	111	Y109 Y132	R103-Y109 HydrophobicContact CB-CD1 4.34Å; R103-Y109 HydrophobicContact CB-CE1 3.85Å; R103-Y109 HydrophobicContact CG-CD1 3.67Å; R103-Y109 HydrophobicContact CG-CD2 4.36Å; R103-Y109 HydrophobicContact CG-CE1 3.4Å; R103-Y109 VanDerWaalsContact CG-CE1 3.4Å; R103-Y109 HydrophobicContact CG-CE2 4.12Å; R103-Y109 HydrophobicContact CG-CG 4.16Å; R103-Y109 VanDerWaalsContact CZ-CD2 3.47Å; R103-Y132 VanDerWaalsContact CZ-C 3.41Å; R103-Y132 PolarHBondContact NE-O 2.86Å; R103-Y132 PolarHBondContact NH1-O 3.35Å; R103-Y132 PolarHBondContact NH2-O 2.9Å
104	L	96.2	Very high	96	Very high	55 Å²	55	51.1 Å²	51.1	29%	0.288	26%	0.264	S	S	.	.			trans	-63.7	145.4	159.9	-62.3	176.9	0	0	0	109.4	N81 H106 Q107	N81-L104 HydrophobicContact CB-CD1 4.44Å; N81-L104 WeakPolarHBondContact O-CD1 3.01Å; L104-H106 PolarHBondContact O-N 3.29Å; L104-H106 VanDerWaalsContact O-N 3.09Å; L104-Q107 HydrophobicContact CB-CB 3.87Å; L104-Q107 WeakPolarHBondContact O-CB 3.37Å; L104-Q107 PolarHBondContact O-N 3.16Å
105	P	96.2	Very high	96	Very high	81 Å²	81	49.6 Å²	49.6	53%	0.526	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-35.8	-175	-30.1	36.6	0	0	0	114.2	G344 A345 V346	P105-G344 WeakPolarHBondContact CB-O 2.83Å; P105-A345 HydrophobicContact CB-CB 4.17Å; P105-A345 CarbonylContact O-C 3.55Å; P105-A345 VanDerWaalsContact O-CA 3.23Å; P105-A345 WeakPolarHBondContact O-CA 3.35Å; P105-V346 PolarHBondContact O-N 3.35Å
106	H	95.3	Very high	96.2	Very high	88 Å²	88	47.4 Å²	47.4	41%	0.407	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	6	-178.4	60.2	-90.1	0	0	0	113.9	L104	L104-H106 PolarHBondContact O-N 3.29Å; L104-H106 VanDerWaalsContact O-N 3.09Å
107	Q	97.3	Very high	96.3	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.019	21%	0.208	C	C	.	.			trans	-102.3	126.5	-172.8	176.5	174.5	73.2	0	0	111.3	I80 S83 I86 L104 Y109	I80-Q107 PolarHBondContact O-NE2 3.26Å; S83-Q107 WeakPolarHBondContact O-CG 2.96Å; S83-Q107 PolarHBondContact O-NE2 2.91Å; I86-Q107 HydrophobicContact CD1-CG 4.15Å; L104-Q107 HydrophobicContact CB-CB 3.87Å; L104-Q107 WeakPolarHBondContact O-CB 3.37Å; L104-Q107 PolarHBondContact O-N 3.16Å; Q107-Y109 HydrophobicContact CG-CD1 4.32Å; Q107-Y109 HydrophobicContact CG-CE1 4.13Å
108	H	98.3	Very high	96.3	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	137.6	174.3	-68.1	-88.6	0	0	0	111.9	S84 A85 I86 V110 T134 L135 L337 D340 V346	S84-H108 PolarHBondContact O-N 3.07Å; A85-H108 CarbonylContact C-O 3.6Å; A85-H108 VanDerWaalsContact CA-O 3.27Å; A85-H108 WeakPolarHBondContact CA-O 3.34Å; A85-H108 HydrophobicContact CB-CB 4.34Å; I86-H108 PolarHBondContact N-O 3.1Å; H108-V110 HydrophobicContact CB-CG2 4.25Å; H108-T134 WeakPolarHBondContact CA-OG1 3.41Å; H108-T134 WeakPolarHBondContact CB-OG1 3.27Å; H108-T134 PolarHBondContact ND1-OG1 3.4Å; H108-L135 HydrophobicContact CB-CD1 4.07Å; H108-L135 HydrophobicContact CB-CG 4.44Å; H108-L135 WeakPolarHBondContact ND1-CD1 3.45Å; H108-L135 WeakPolarHBondContact ND1-CG 3.44Å; H108-L337 HydrophobicContact CB-CD2 4.26Å; H108-L337 WeakPolarHBondContact CD2-CD2 3.38Å; H108-D340 IonicContact CE1-OD2 3.8Å; H108-D340 PolarHBondContact CE1-OD2 3.24Å; H108-D340 IonicContact NE2-OD2 3.22Å; H108-D340 PolarHBondContact NE2-OD2 3.37Å; H108-D340 VanDerWaalsContact NE2-OD2 3.15Å; H108-V346 WeakPolarHBondContact NE2-CG1 3.33Å
109	Y	98.6	Very high	96.3	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.4	157.7	-71.3	24	0	0	0	107.3	I86 H88 P99 P100 R103 Q107 Y132 Y133 T134 L135	I86-Y109 HydrophobicContact CB-CD1 4.02Å; I86-Y109 HydrophobicContact CB-CE1 4.25Å; I86-Y109 HydrophobicContact CB-CG 4.43Å; I86-Y109 HydrophobicContact CD1-CD1 3.94Å; I86-Y109 HydrophobicContact CD1-CE1 3.33Å; I86-Y109 HydrophobicContact CG1-CD1 4.47Å; I86-Y109 HydrophobicContact CG1-CE1 4.3Å; I86-Y109 CarbonylContact O-C 3.59Å; I86-Y109 VanDerWaalsContact O-CA 3.29Å; I86-Y109 WeakPolarHBondContact O-CA 3.12Å; H88-Y109 AromaticContact NE2-CD2 3.38Å; H88-Y109 WeakPolarHBondContact NE2-CD2 3.48Å; H88-Y109 AromaticContact NE2-CE2 3.98Å; H88-Y109 AromaticContact NE2-CG 3.88Å; P99-Y109 HydrophobicContact CB-CE2 4.23Å; P99-Y109 HydrophobicContact CG-CD2 4.24Å; P99-Y109 HydrophobicContact CG-CE2 3.5Å; P99-Y109 VanDerWaalsContact CG-CE2 3.5Å; P100-Y109 PolarHBondContact O-OH 3.49Å; R103-Y109 HydrophobicContact CB-CD1 4.34Å; R103-Y109 HydrophobicContact CB-CE1 3.85Å; R103-Y109 HydrophobicContact CG-CD1 3.67Å; R103-Y109 HydrophobicContact CG-CD2 4.36Å; R103-Y109 HydrophobicContact CG-CE1 3.4Å; R103-Y109 VanDerWaalsContact CG-CE1 3.4Å; R103-Y109 HydrophobicContact CG-CE2 4.12Å; R103-Y109 HydrophobicContact CG-CG 4.16Å; R103-Y109 VanDerWaalsContact CZ-CD2 3.47Å; Q107-Y109 HydrophobicContact CG-CD1 4.32Å; Q107-Y109 HydrophobicContact CG-CE1 4.13Å; Y109-Y132 HydrophobicContact CD2-CD1 4.37Å; Y109-Y132 AromaticContact CD2-CE1 3.65Å; Y109-Y132 HydrophobicContact CD2-CE1 3.65Å; Y109-Y132 HydrophobicContact CD2-CE2 4.18Å; Y109-Y132 AromaticContact CD2-CZ 3.54Å; Y109-Y132 HydrophobicContact CE2-CE1 4.35Å; Y109-Y132 HydrophobicContact CE2-CE2 4.18Å; Y109-Y132 AromaticContact CE2-CZ 3.77Å; Y109-Y132 WeakPolarHBondContact CE2-OH 3.31Å; Y109-Y133 WeakPolarHBondContact O-CA 3.37Å; Y109-T134 PolarHBondContact N-OG1 3.49Å; Y109-T134 PolarHBondContact O-N 2.88Å; Y109-T134 PolarHBondContact O-OG1 3.14Å; Y109-L135 PolarHBondContact O-N 2.95Å
110	V	98.8	Very high	96.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.1	-171.7	-171.6	0	0	0	0	108.4	A85 I86 V87 H88 H108 F112 L135 M137 L333	A85-V110 HydrophobicContact CB-CG2 4.16Å; I86-V110 PolarHBondContact O-N 3.36Å; V87-V110 HydrophobicContact CB-CB 4.46Å; V87-V110 HydrophobicContact CG1-CB 4.41Å; V87-V110 HydrophobicContact CG2-CB 4.12Å; V87-V110 HydrophobicContact CG2-CG2 4.23Å; H88-V110 PolarHBondContact N-O 3.04Å; H108-V110 HydrophobicContact CB-CG2 4.25Å; V110-F112 PolarHBondContact O-N 3.1Å; V110-L135 CarbonylContact C-O 3.43Å; V110-L135 WeakPolarHBondContact CA-O 3.29Å; V110-L135 HydrophobicContact CG1-CB 4.19Å; V110-L135 HydrophobicContact CG2-CB 4.21Å; V110-L135 HydrophobicContact CG2-CD1 4.39Å; V110-M137 HydrophobicContact CG1-CB 3.77Å; V110-L333 HydrophobicContact CG2-CD1 4.05Å
111	F	98.6	Very high	96.5	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	116.9	167.8	171.1	-103.8	0	0	0	108.3	D90 L113 F125 Y133 L135 T136 M137 L355 W358 Y359	D90-F111 HydrophobicContact CB-CD2 4.19Å; D90-F111 HydrophobicContact CB-CE2 3.53Å; D90-F111 HydrophobicContact CB-CZ 4.26Å; F111-L113 HydrophobicContact CE1-CB 3.74Å; F111-L113 HydrophobicContact CE1-CD2 4.47Å; F111-L113 HydrophobicContact CE2-CB 4.29Å; F111-L113 HydrophobicContact CE2-CD2 4.5Å; F111-L113 HydrophobicContact CZ-CB 3.55Å; F111-L113 HydrophobicContact CZ-CD2 3.71Å; F111-L113 HydrophobicContact CZ-CG 4.28Å; F111-F125 AromaticContact CE2-CD2 3.95Å; F111-F125 HydrophobicContact CE2-CD2 3.95Å; F111-F125 HydrophobicContact CE2-CE2 4.05Å; F111-F125 HydrophobicContact CZ-CD2 4.18Å; F111-F125 AromaticContact CZ-CE2 3.91Å; F111-F125 HydrophobicContact CZ-CE2 3.91Å; F111-Y133 HydrophobicContact CB-CD1 3.69Å; F111-Y133 HydrophobicContact CB-CD2 3.91Å; F111-Y133 HydrophobicContact CB-CE1 4.01Å; F111-Y133 HydrophobicContact CB-CE2 4.2Å; F111-Y133 HydrophobicContact CB-CG 3.61Å; F111-Y133 HydrophobicContact CD2-CD2 4.44Å; F111-Y133 AromaticContact CD2-CE2 3.98Å; F111-Y133 HydrophobicContact CD2-CE2 3.98Å; F111-Y133 VanDerWaalsContact N-CD1 3.29Å; F111-L135 PolarHBondContact N-O 2.8Å; F111-T136 HydrophobicContact CD1-CG2 4.44Å; F111-T136 CarbonylContact O-C 3.34Å; F111-M137 PolarHBondContact O-N 3.42Å; F111-L355 HydrophobicContact CB-CD1 4.04Å; F111-L355 HydrophobicContact CB-CD2 4.35Å; F111-L355 HydrophobicContact CD1-CD1 4.11Å; F111-L355 HydrophobicContact CD1-CD2 4.03Å; F111-L355 HydrophobicContact CD2-CD1 3.41Å; F111-L355 VanDerWaalsContact CD2-CD1 3.41Å; F111-L355 HydrophobicContact CE1-CD1 4.42Å; F111-L355 HydrophobicContact CE2-CD1 3.76Å; F111-L355 HydrophobicContact CG-CD1 3.59Å; F111-L355 HydrophobicContact CG-CD2 4.13Å; F111-L355 HydrophobicContact CZ-CD1 4.25Å; F111-W358 HydrophobicContact CD1-CZ3 4.05Å; F111-W358 HydrophobicContact CE1-CZ3 4.05Å; F111-Y359 HydrophobicContact CE1-CD2 4.26Å; F111-Y359 HydrophobicContact CE1-CE2 4.23Å; F111-Y359 HydrophobicContact CE1-CG 4.35Å; F111-Y359 HydrophobicContact CZ-CD1 4.5Å
112	F	98.3	Very high	96.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.4	176.8	179	-146.1	0	0	0	110.7	M49 Y53 V87 H88 Y89 D90 V110 M114 M137 F326	M49-F112 HydrophobicContact CE-CD1 4.35Å; Y53-F112 HydrophobicContact CD2-CE1 4.47Å; Y53-F112 HydrophobicContact CG-CE1 4.48Å; V87-F112 HydrophobicContact CG1-CB 3.59Å; V87-F112 HydrophobicContact CG1-CD1 4.04Å; V87-F112 HydrophobicContact CG1-CG 4.14Å; H88-F112 WeakPolarHBondContact O-CA 3.46Å; H88-F112 WeakPolarHBondContact O-CB 3.13Å; H88-F112 PolarHBondContact O-N 3.24Å; Y89-F112 WeakPolarHBondContact CA-O 3.35Å; Y89-F112 AromaticContact CD2-CD1 3.68Å; Y89-F112 HydrophobicContact CD2-CD1 3.68Å; Y89-F112 AromaticContact CD2-CE1 3.97Å; Y89-F112 HydrophobicContact CD2-CE1 3.97Å; Y89-F112 HydrophobicContact CD2-CG 4.08Å; Y89-F112 WeakPolarHBondContact CD2-O 3.44Å; Y89-F112 HydrophobicContact CG-CD1 4.34Å; D90-F112 PolarHBondContact N-O 3.14Å; V110-F112 PolarHBondContact O-N 3.1Å; F112-M114 HydrophobicContact CE2-CG 3.58Å; F112-M114 HydrophobicContact CE2-SD 3.68Å; F112-M114 HydrophobicContact CZ-CG 3.74Å; F112-M114 HydrophobicContact CZ-SD 4.24Å; F112-M137 WeakPolarHBondContact CA-O 3.37Å; F112-M137 HydrophobicContact CB-CB 4.44Å; F112-M137 HydrophobicContact CB-CE 3.77Å; F112-M137 HydrophobicContact CD1-CE 3.64Å; F112-M137 HydrophobicContact CD2-CB 4.07Å; F112-M137 HydrophobicContact CD2-CE 3.32Å; F112-M137 HydrophobicContact CD2-CG 3.81Å; F112-M137 WeakPolarHBondContact CD2-O 3.42Å; F112-M137 HydrophobicContact CD2-SD 4.35Å; F112-M137 HydrophobicContact CE1-CE 4.01Å; F112-M137 HydrophobicContact CE2-CE 3.72Å; F112-M137 HydrophobicContact CE2-CG 4.21Å; F112-M137 HydrophobicContact CG-CE 3.28Å; F112-M137 HydrophobicContact CZ-CE 4.05Å; F112-F326 HydrophobicContact CE2-CE1 4.41Å; F112-F326 HydrophobicContact CZ-CD1 4.37Å; F112-F326 AromaticContact CZ-CE1 3.72Å; F112-F326 HydrophobicContact CZ-CE1 3.72Å; F112-F326 HydrophobicContact CZ-CZ 4.44Å
113	L	97.6	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	124.4	174.8	-172.7	56.9	0	0	0	111.9	Y89 D90 R91 F111 E115 V120 M137 A138 Y359	Y89-L113 HydrophobicContact CE2-CD1 4.15Å; D90-L113 HydrophobicContact CB-CB 4.41Å; D90-L113 HydrophobicContact CB-CD1 4.2Å; D90-L113 HydrophobicContact CB-CD2 4.42Å; R91-L113 HydrophobicContact CG-CD1 4.1Å; F111-L113 HydrophobicContact CE1-CB 3.74Å; F111-L113 HydrophobicContact CE1-CD2 4.47Å; F111-L113 HydrophobicContact CE2-CB 4.29Å; F111-L113 HydrophobicContact CE2-CD2 4.5Å; F111-L113 HydrophobicContact CZ-CB 3.55Å; F111-L113 HydrophobicContact CZ-CD2 3.71Å; F111-L113 HydrophobicContact CZ-CG 4.28Å; L113-E115 HydrophobicContact CD1-CB 3.85Å; L113-E115 HydrophobicContact CG-CB 4.27Å; L113-V120 HydrophobicContact CD2-CB 4.46Å; L113-V120 HydrophobicContact CD2-CG1 3.77Å; L113-M137 PolarHBondContact N-O 3.22Å; L113-M137 VanDerWaalsContact N-O 3.12Å; L113-A138 WeakPolarHBondContact O-CA 3.39Å; L113-A138 WeakPolarHBondContact O-CB 3.31Å; L113-Y359 HydrophobicContact CD2-CD1 4.37Å; L113-Y359 HydrophobicContact CD2-CE1 3.55Å; L113-Y359 HydrophobicContact CG-CE1 4.32Å; L113-Y359 PolarHBondContact O-OH 3.15Å
114	M	96.6	Very high	96.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.175	C	C	.	.			trans	-95.6	-4.7	174.6	-66.2	-59.9	-71.6	0	0	112.4	Y53 F112 C147 F149 F326	Y53-M114 HydrophobicContact CE2-CB 4.19Å; Y53-M114 HydrophobicContact CE2-CG 4.2Å; F112-M114 HydrophobicContact CE2-CG 3.58Å; F112-M114 HydrophobicContact CE2-SD 3.68Å; F112-M114 HydrophobicContact CZ-CG 3.74Å; F112-M114 HydrophobicContact CZ-SD 4.24Å; M114-C147 WeakPolarHBondContact CE-O 3.45Å; M114-C147 HydrophobicContact SD-CB 4.31Å; M114-F149 HydrophobicContact CB-CE1 4.37Å; M114-F149 HydrophobicContact CB-CZ 4.18Å; M114-F149 HydrophobicContact CE-CD1 3.8Å; M114-F149 HydrophobicContact CE-CD2 4.01Å; M114-F149 HydrophobicContact CE-CE1 3.85Å; M114-F149 HydrophobicContact CE-CE2 4.05Å; M114-F149 HydrophobicContact CE-CG 3.92Å; M114-F149 HydrophobicContact CE-CZ 4.01Å; M114-F149 WeakPolarHBondContact O-CZ 3.45Å; M114-F326 HydrophobicContact CE-CE1 4.16Å; M114-F326 HydrophobicContact CG-CE1 4.16Å; M114-F326 HydrophobicContact CG-CZ 4.47Å; M114-F326 HydrophobicContact SD-CE1 4.16Å
115	E	96.4	Very high	96.9	Very high	45 Å²	45	29.8 Å²	29.8	21%	0.21	16%	0.162	C	C	.	.	S	Bend	trans	-98.6	154.1	-178.4	-75.8	-78.9	-170.6	0	0	112.5	L113 Y359	L113-E115 HydrophobicContact CD1-CB 3.85Å; L113-E115 HydrophobicContact CG-CB 4.27Å; E115-Y359 PolarHBondContact O-OH 3.05Å
116	S	97.3	Very high	96.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.			trans	-63.1	165.5	-178.5	76.1	0	0	0	0	112.7	H118 Y119 S244	S116-H118 PolarHBondContact O-N 3.13Å; S116-H118 PolarHBondContact OG-N 2.87Å; S116-Y119 PolarHBondContact O-N 3.4Å; S116-Y119 VanDerWaalsContact OG-CD2 3.22Å; S116-Y119 WeakPolarHBondContact OG-CD2 3.38Å; S116-S244 VanDerWaalsContact CB-CB 3.46Å; S116-S244 WeakPolarHBondContact CB-OG 3.15Å; S116-S244 VanDerWaalsContact OG-CB 3.23Å; S116-S244 WeakPolarHBondContact OG-CB 3.48Å; S116-S244 PolarHBondContact OG-OG 2.93Å
117	A	97.1	Very high	97	Very high	14 Å²	14	32.5 Å²	32.5	12%	0.116	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-52.8	-21.9	174.7	0	0	0	0	0	115	Y119 Y359 L360	A117-Y119 VanDerWaalsContact C-N 3.29Å; A117-Y119 PolarHBondContact O-N 3.22Å; A117-Y359 HydrophobicContact CB-CD1 4.42Å; A117-L360 HydrophobicContact CB-CD2 3.68Å; A117-L360 VanDerWaalsContact O-CD2 3.25Å; A117-L360 WeakPolarHBondContact O-CD2 3.36Å
118	H	96.5	Very high	97	Very high	65 Å²	65	32.5 Å²	32.5	30%	0.301	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-76.2	-11	175	-66.8	-53.8	0	0	0	114.8	S116 T187 C365	S116-H118 PolarHBondContact O-N 3.13Å; S116-H118 PolarHBondContact OG-N 2.87Å; H118-T187 HydrophobicContact CB-CG2 3.91Å; H118-T187 PolarHBondContact CD2-OG1 3.08Å; H118-T187 VanDerWaalsContact CD2-OG1 3.23Å; H118-C365 WeakPolarHBondContact NE2-CB 3.31Å
119	Y	95.7	Very high	96.9	Very high	42 Å²	42	34.2 Å²	34.2	17%	0.165	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-128.9	29.8	-173.3	-55.7	-67.3	0	0	0	112.4	S116 A117 F183 N243 S244	S116-Y119 PolarHBondContact O-N 3.4Å; S116-Y119 VanDerWaalsContact OG-CD2 3.22Å; S116-Y119 WeakPolarHBondContact OG-CD2 3.38Å; A117-Y119 VanDerWaalsContact C-N 3.29Å; A117-Y119 PolarHBondContact O-N 3.22Å; Y119-F183 HydrophobicContact CE1-CE1 4.28Å; Y119-F183 VanDerWaalsContact OH-CE1 3.29Å; Y119-F183 WeakPolarHBondContact OH-CE1 3.41Å; Y119-N243 WeakPolarHBondContact CE2-ND2 3.34Å; Y119-S244 VanDerWaalsContact CE2-OG 3.25Å; Y119-S244 WeakPolarHBondContact CE2-OG 3.43Å
120	V	97.1	Very high	96.8	Very high	28 Å²	28	38.9 Å²	38.9	17%	0.17	20%	0.195	C	C	.	.	S	Bend	trans	-62.1	155.7	162.7	-61.9	0	0	0	0	110.1	D90 L113 F125 Y359 L360	D90-V120 WeakPolarHBondContact OD2-CA 3.26Å; L113-V120 HydrophobicContact CD2-CB 4.46Å; L113-V120 HydrophobicContact CD2-CG1 3.77Å; V120-F125 HydrophobicContact CB-CB 4.07Å; V120-F125 HydrophobicContact CB-CD1 4.33Å; V120-F125 HydrophobicContact CB-CD2 3.62Å; V120-F125 HydrophobicContact CB-CE2 4.11Å; V120-F125 HydrophobicContact CB-CG 3.74Å; V120-F125 HydrophobicContact CG1-CD2 3.65Å; V120-F125 HydrophobicContact CG1-CE2 3.63Å; V120-F125 HydrophobicContact CG1-CG 4.2Å; V120-F125 HydrophobicContact CG1-CZ 4.16Å; V120-F125 HydrophobicContact CG2-CB 4.31Å; V120-F125 HydrophobicContact CG2-CD1 4.1Å; V120-F125 HydrophobicContact CG2-CD2 4.29Å; V120-F125 HydrophobicContact CG2-CG 3.97Å; V120-Y359 HydrophobicContact CG1-CD1 3.89Å; V120-Y359 HydrophobicContact CG1-CE1 4.1Å; V120-L360 HydrophobicContact CG1-CD2 3.78Å; V120-L360 HydrophobicContact CG2-CD2 4.18Å
121	S	96.4	Very high	96.3	Very high	20 Å²	20	45.1 Å²	45.1	14%	0.14	23%	0.228	C	C	.	.			trans	-64.5	138	177.5	69.4	0	0	0	0	111.9	D90 V123 A124 F125	D90-S121 VanDerWaalsContact O-CB 3.27Å; D90-S121 WeakPolarHBondContact O-CB 3.48Å; D90-S121 PolarHBondContact OD1-OG 3.37Å; D90-S121 PolarHBondContact OD2-N 3.1Å; D90-S121 PolarHBondContact OD2-OG 3.02Å; S121-V123 VanDerWaalsContact C-N 3.32Å; S121-V123 PolarHBondContact O-N 2.82Å; S121-A124 WeakPolarHBondContact OG-CB 3.23Å; S121-A124 PolarHBondContact OG-N 2.81Å; S121-F125 WeakPolarHBondContact O-CB 3.43Å; S121-F125 PolarHBondContact OG-N 2.59Å
122	D	93.1	Very high	96.2	Very high	135 Å²	135	45.2 Å²	45.2	72%	0.722	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-34.5	-173.3	-70.2	-44.9	0	0	0	113.3
123	V	96.4	Very high	96.2	Very high	94 Å²	94	45.2 Å²	45.2	57%	0.57	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-55	-174.5	-177.5	0	0	0	0	111.5	P95 S121 F125 K126 M127	P95-V123 HydrophobicContact CB-CG1 4.15Å; P95-V123 HydrophobicContact CG-CB 4Å; P95-V123 HydrophobicContact CG-CG1 3.67Å; S121-V123 VanDerWaalsContact C-N 3.32Å; S121-V123 PolarHBondContact O-N 2.82Å; V123-F125 PolarHBondContact O-N 3.12Å; V123-K126 PolarHBondContact O-N 3.46Å; V123-M127 WeakPolarHBondContact O-CB 3.49Å; V123-M127 PolarHBondContact O-N 3.06Å
124	A	96.3	Very high	96.2	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-40.9	-171.4	0	0	0	0	0	111.9	L93 P95 S121 K126 M127 L128	L93-A124 HydrophobicContact CB-CB 4.23Å; L93-A124 HydrophobicContact CD2-CB 3.83Å; L93-A124 HydrophobicContact CG-CB 4.03Å; P95-A124 HydrophobicContact CG-CB 4.03Å; S121-A124 WeakPolarHBondContact OG-CB 3.23Å; S121-A124 PolarHBondContact OG-N 2.81Å; A124-K126 PolarHBondContact O-N 3.47Å; A124-M127 PolarHBondContact O-N 2.96Å; A124-L128 WeakPolarHBondContact O-CB 3.4Å; A124-L128 WeakPolarHBondContact O-CG 3.44Å; A124-L128 PolarHBondContact O-N 2.95Å
125	F	97.7	Very high	96.3	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.013	23%	0.23	C	C	.	.	H	α-helix	trans	-57.6	-53.5	177.1	-171.1	-88.5	0	0	0	110.7	F111 V120 S121 V123 M127 L128 Q129 L355 L360	F111-F125 AromaticContact CE2-CD2 3.95Å; F111-F125 HydrophobicContact CE2-CD2 3.95Å; F111-F125 HydrophobicContact CE2-CE2 4.05Å; F111-F125 HydrophobicContact CZ-CD2 4.18Å; F111-F125 AromaticContact CZ-CE2 3.91Å; F111-F125 HydrophobicContact CZ-CE2 3.91Å; V120-F125 HydrophobicContact CB-CB 4.07Å; V120-F125 HydrophobicContact CB-CD1 4.33Å; V120-F125 HydrophobicContact CB-CD2 3.62Å; V120-F125 HydrophobicContact CB-CE2 4.11Å; V120-F125 HydrophobicContact CB-CG 3.74Å; V120-F125 HydrophobicContact CG1-CD2 3.65Å; V120-F125 HydrophobicContact CG1-CE2 3.63Å; V120-F125 HydrophobicContact CG1-CG 4.2Å; V120-F125 HydrophobicContact CG1-CZ 4.16Å; V120-F125 HydrophobicContact CG2-CB 4.31Å; V120-F125 HydrophobicContact CG2-CD1 4.1Å; V120-F125 HydrophobicContact CG2-CD2 4.29Å; V120-F125 HydrophobicContact CG2-CG 3.97Å; S121-F125 WeakPolarHBondContact O-CB 3.43Å; S121-F125 PolarHBondContact OG-N 2.59Å; V123-F125 PolarHBondContact O-N 3.12Å; F125-M127 PolarHBondContact O-N 3.34Å; F125-L128 PolarHBondContact O-N 3.31Å; F125-Q129 HydrophobicContact CD1-CB 4.33Å; F125-Q129 HydrophobicContact CE1-CB 4.15Å; F125-Q129 WeakPolarHBondContact O-CA 3.15Å; F125-Q129 WeakPolarHBondContact O-CB 3.2Å; F125-Q129 WeakPolarHBondContact O-CG 3.35Å; F125-Q129 PolarHBondContact O-N 2.88Å; F125-L355 HydrophobicContact CE2-CB 3.89Å; F125-L355 HydrophobicContact CE2-CD1 4.15Å; F125-L355 HydrophobicContact CZ-CB 3.69Å; F125-L360 HydrophobicContact CD1-CD1 4.34Å; F125-L360 HydrophobicContact CE1-CD1 3.55Å; F125-L360 HydrophobicContact CE1-CD2 4.41Å; F125-L360 HydrophobicContact CE1-CG 3.85Å; F125-L360 HydrophobicContact CZ-CD1 4.06Å; F125-L360 HydrophobicContact CZ-CD2 4.17Å; F125-L360 HydrophobicContact CZ-CG 3.81Å
126	K	96.6	Very high	96.5	Very high	145 Å²	145	43.3 Å²	43.3	63%	0.63	22%	0.22	S	C	*	.	H	α-helix	trans	-61.3	-34.3	-180	-71.6	-179.2	-175.4	164.8	0	113	V123 A124 Q129	V123-K126 PolarHBondContact O-N 3.46Å; A124-K126 PolarHBondContact O-N 3.47Å; K126-Q129 WeakPolarHBondContact O-CG 3.22Å; K126-Q129 PolarHBondContact O-NE2 2.98Å
127	M	96	Very high	96.5	Very high	81 Å²	81	43.3 Å²	43.3	40%	0.399	22%	0.22	S	C	.	.	H	α-helix	trans	-74.4	-31.5	-180	-172.8	175.3	67.2	0	0	112.9	P95 L98 V123 A124 F125	P95-M127 HydrophobicContact CB-CE 3.65Å; P95-M127 HydrophobicContact CB-SD 4.41Å; L98-M127 HydrophobicContact CD1-CE 3.42Å; L98-M127 VanDerWaalsContact CD1-CE 3.42Å; V123-M127 WeakPolarHBondContact O-CB 3.49Å; V123-M127 PolarHBondContact O-N 3.06Å; A124-M127 PolarHBondContact O-N 2.96Å; F125-M127 PolarHBondContact O-N 3.34Å
128	L	96.9	Very high	96.6	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-118.1	-0.6	-168.3	-55.9	176.6	0	0	0	114.2	L93 L98 A124 F125 K130 Y132 Y133	L93-L128 HydrophobicContact CD2-CD1 3.54Å; L98-L128 HydrophobicContact CD1-CD1 4.11Å; L98-L128 HydrophobicContact CD1-CD2 4.05Å; L98-L128 HydrophobicContact CD2-CD1 4.14Å; A124-L128 WeakPolarHBondContact O-CB 3.4Å; A124-L128 WeakPolarHBondContact O-CG 3.44Å; A124-L128 PolarHBondContact O-N 2.95Å; F125-L128 PolarHBondContact O-N 3.31Å; L128-K130 PolarHBondContact O-N 3.11Å; L128-K130 VanDerWaalsContact O-N 3.09Å; L128-Y132 HydrophobicContact CB-CD1 3.91Å; L128-Y132 HydrophobicContact CB-CE1 4.44Å; L128-Y132 HydrophobicContact CB-CG 4.07Å; L128-Y132 HydrophobicContact CD1-CD1 4.21Å; L128-Y132 HydrophobicContact CD1-CE1 3.88Å; L128-Y132 HydrophobicContact CD2-CD1 4.09Å; L128-Y132 HydrophobicContact CD2-CD2 3.67Å; L128-Y132 HydrophobicContact CD2-CE1 4.15Å; L128-Y132 HydrophobicContact CD2-CE2 3.74Å; L128-Y132 HydrophobicContact CD2-CG 3.84Å; L128-Y132 HydrophobicContact CG-CD1 4.29Å; L128-Y132 HydrophobicContact CG-CE1 4.39Å; L128-Y132 HydrophobicContact CG-CG 4.43Å; L128-Y132 VanDerWaalsContact O-CB 3.27Å; L128-Y132 WeakPolarHBondContact O-CB 3.49Å; L128-Y133 HydrophobicContact CB-CE2 3.76Å; L128-Y133 WeakPolarHBondContact O-CD2 3.36Å; L128-Y133 WeakPolarHBondContact O-CE2 3.48Å
129	Q	96.7	Very high	96.6	Very high	38 Å²	38	40 Å²	40	18%	0.178	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.7	-176.1	52.7	-176.2	-21.2	0	0	115.9	F125 K126 L355	F125-Q129 HydrophobicContact CD1-CB 4.33Å; F125-Q129 HydrophobicContact CE1-CB 4.15Å; F125-Q129 WeakPolarHBondContact O-CA 3.15Å; F125-Q129 WeakPolarHBondContact O-CB 3.2Å; F125-Q129 WeakPolarHBondContact O-CG 3.35Å; F125-Q129 PolarHBondContact O-N 2.88Å; K126-Q129 WeakPolarHBondContact O-CG 3.22Å; K126-Q129 PolarHBondContact O-NE2 2.98Å; Q129-L355 HydrophobicContact CB-CB 4.08Å; Q129-L355 PolarHBondContact O-N 2.91Å
130	K	96.4	Very high	96.7	Very high	98 Å²	98	38.2 Å²	38.2	43%	0.426	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-129.8	141.9	-179.4	-63.7	-176.3	-169.1	-124.1	0	111.6	L128 Y132 D354	L128-K130 PolarHBondContact O-N 3.11Å; L128-K130 VanDerWaalsContact O-N 3.09Å; K130-Y132 PolarHBondContact O-N 2.86Å; K130-D354 WeakPolarHBondContact CE-OD2 3.4Å; K130-D354 IonicContact NZ-OD2 3.61Å; K130-D354 PolarHBondContact NZ-OD2 3.45Å
131	D	88.7	Confident	96.6	Very high	131 Å²	131	42.2 Å²	42.2	70%	0.701	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	24.7	173.4	-55.1	-49.4	0	0	0	114.7
132	Y	96.6	Very high	96.7	Very high	3 Å²	3	43.5 Å²	43.5	1%	0.012	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-80.3	174.6	-168.3	-99.8	0	0	0	107.9	H88 R101 R103 Y109 L128 K130	H88-Y132 AromaticContact NE2-CE1 3.99Å; R101-Y132 HydrophobicContact CG-CD2 4.33Å; R101-Y132 HydrophobicContact CG-CE2 4.35Å; R103-Y132 VanDerWaalsContact CZ-C 3.41Å; R103-Y132 PolarHBondContact NE-O 2.86Å; R103-Y132 PolarHBondContact NH1-O 3.35Å; R103-Y132 PolarHBondContact NH2-O 2.9Å; Y109-Y132 HydrophobicContact CD2-CD1 4.37Å; Y109-Y132 AromaticContact CD2-CE1 3.65Å; Y109-Y132 HydrophobicContact CD2-CE1 3.65Å; Y109-Y132 HydrophobicContact CD2-CE2 4.18Å; Y109-Y132 AromaticContact CD2-CZ 3.54Å; Y109-Y132 HydrophobicContact CE2-CE1 4.35Å; Y109-Y132 HydrophobicContact CE2-CE2 4.18Å; Y109-Y132 AromaticContact CE2-CZ 3.77Å; Y109-Y132 WeakPolarHBondContact CE2-OH 3.31Å; L128-Y132 HydrophobicContact CB-CD1 3.91Å; L128-Y132 HydrophobicContact CB-CE1 4.44Å; L128-Y132 HydrophobicContact CB-CG 4.07Å; L128-Y132 HydrophobicContact CD1-CD1 4.21Å; L128-Y132 HydrophobicContact CD1-CE1 3.88Å; L128-Y132 HydrophobicContact CD2-CD1 4.09Å; L128-Y132 HydrophobicContact CD2-CD2 3.67Å; L128-Y132 HydrophobicContact CD2-CE1 4.15Å; L128-Y132 HydrophobicContact CD2-CE2 3.74Å; L128-Y132 HydrophobicContact CD2-CG 3.84Å; L128-Y132 HydrophobicContact CG-CD1 4.29Å; L128-Y132 HydrophobicContact CG-CE1 4.39Å; L128-Y132 HydrophobicContact CG-CG 4.43Å; L128-Y132 VanDerWaalsContact O-CB 3.27Å; L128-Y132 WeakPolarHBondContact O-CB 3.49Å; K130-Y132 PolarHBondContact O-N 2.86Å
133	Y	98.1	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.			trans	-60.5	148.8	-174.3	-55.2	-76.8	0	0	0	113.4	H88 L93 Y109 F111 L128 L355	H88-Y133 HydrophobicContact CB-CE1 3.86Å; H88-Y133 AromaticContact CD2-CE1 3.68Å; L93-Y133 WeakPolarHBondContact CD2-OH 3.22Å; Y109-Y133 WeakPolarHBondContact O-CA 3.37Å; F111-Y133 HydrophobicContact CB-CD1 3.69Å; F111-Y133 HydrophobicContact CB-CD2 3.91Å; F111-Y133 HydrophobicContact CB-CE1 4.01Å; F111-Y133 HydrophobicContact CB-CE2 4.2Å; F111-Y133 HydrophobicContact CB-CG 3.61Å; F111-Y133 HydrophobicContact CD2-CD2 4.44Å; F111-Y133 AromaticContact CD2-CE2 3.98Å; F111-Y133 HydrophobicContact CD2-CE2 3.98Å; F111-Y133 VanDerWaalsContact N-CD1 3.29Å; L128-Y133 HydrophobicContact CB-CE2 3.76Å; L128-Y133 WeakPolarHBondContact O-CD2 3.36Å; L128-Y133 WeakPolarHBondContact O-CE2 3.48Å; Y133-L355 HydrophobicContact CD2-CD1 3.45Å; Y133-L355 VanDerWaalsContact CD2-CD1 3.45Å; Y133-L355 HydrophobicContact CD2-CG 4.27Å; Y133-L355 HydrophobicContact CE2-CD1 3.57Å; Y133-L355 HydrophobicContact CG-CD1 4.46Å
134	T	98.4	Very high	97	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.031	17%	0.168	C	C	.	.	S	Bend	trans	-106.1	-21.9	172.6	60.5	0	0	0	0	113.5	H108 Y109 V346 P348 S349 A352	H108-T134 WeakPolarHBondContact CA-OG1 3.41Å; H108-T134 WeakPolarHBondContact CB-OG1 3.27Å; H108-T134 PolarHBondContact ND1-OG1 3.4Å; Y109-T134 PolarHBondContact N-OG1 3.49Å; Y109-T134 PolarHBondContact O-N 2.88Å; Y109-T134 PolarHBondContact O-OG1 3.14Å; T134-V346 HydrophobicContact CG2-CG2 4.4Å; T134-P348 HydrophobicContact CG2-CG 4.46Å; T134-S349 PolarHBondContact O-N 3.26Å; T134-S349 VanDerWaalsContact O-N 3.12Å; T134-A352 VanDerWaalsContact C-CB 3.45Å
135	L	98.8	Very high	97.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.9	175.1	-61.8	175.1	0	0	0	111	H108 Y109 V110 F111 D144 L333 R336	H108-L135 HydrophobicContact CB-CD1 4.07Å; H108-L135 HydrophobicContact CB-CG 4.44Å; H108-L135 WeakPolarHBondContact ND1-CD1 3.45Å; H108-L135 WeakPolarHBondContact ND1-CG 3.44Å; Y109-L135 PolarHBondContact O-N 2.95Å; V110-L135 CarbonylContact C-O 3.43Å; V110-L135 WeakPolarHBondContact CA-O 3.29Å; V110-L135 HydrophobicContact CG1-CB 4.19Å; V110-L135 HydrophobicContact CG2-CB 4.21Å; V110-L135 HydrophobicContact CG2-CD1 4.39Å; F111-L135 PolarHBondContact N-O 2.8Å; L135-D144 VanDerWaalsContact CA-OD2 3.31Å; L135-D144 WeakPolarHBondContact CA-OD2 3.34Å; L135-D144 HydrophobicContact CB-CB 4.34Å; L135-D144 HydrophobicContact CD2-CB 3.92Å; L135-L333 HydrophobicContact CD1-CD1 4.25Å; L135-R336 HydrophobicContact CD1-CG 3.92Å; L135-R336 VanDerWaalsContact CD2-CZ 3.42Å
136	T	98.8	Very high	97.2	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.8	168.8	63.3	0	0	0	0	111.7	F111 S143 D144 I145 S351 A352 L355 W358	F111-T136 HydrophobicContact CD1-CG2 4.44Å; F111-T136 CarbonylContact O-C 3.34Å; T136-S143 WeakPolarHBondContact OG1-CA 3.49Å; T136-S143 WeakPolarHBondContact OG1-CB 3.48Å; T136-D144 PolarHBondContact N-OD2 2.95Å; T136-D144 WeakPolarHBondContact O-CB 3.46Å; T136-D144 PolarHBondContact O-N 3.38Å; T136-D144 PolarHBondContact OG1-N 3.27Å; T136-D144 PolarHBondContact OG1-OD2 2.96Å; T136-I145 PolarHBondContact O-N 2.63Å; T136-S351 WeakPolarHBondContact CG2-O 3.26Å; T136-S351 WeakPolarHBondContact CG2-OG 3.42Å; T136-S351 PolarHBondContact OG1-OG 2.91Å; T136-A352 HydrophobicContact CG2-CB 3.99Å; T136-L355 HydrophobicContact CG2-CD2 3.73Å; T136-W358 HydrophobicContact CG2-CD2 4.47Å; T136-W358 HydrophobicContact CG2-CE3 3.8Å; T136-W358 HydrophobicContact CG2-CH2 3.87Å; T136-W358 HydrophobicContact CG2-CZ3 3.45Å; T136-W358 VanDerWaalsContact CG2-CZ3 3.45Å
137	M	98.8	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	117.9	172.9	-175.6	166.6	70.8	0	0	109.1	V87 V110 F111 F112 L113 I145 C147 M330 L333	V87-M137 HydrophobicContact CG1-CE 3.77Å; V110-M137 HydrophobicContact CG1-CB 3.77Å; F111-M137 PolarHBondContact O-N 3.42Å; F112-M137 WeakPolarHBondContact CA-O 3.37Å; F112-M137 HydrophobicContact CB-CB 4.44Å; F112-M137 HydrophobicContact CB-CE 3.77Å; F112-M137 HydrophobicContact CD1-CE 3.64Å; F112-M137 HydrophobicContact CD2-CB 4.07Å; F112-M137 HydrophobicContact CD2-CE 3.32Å; F112-M137 HydrophobicContact CD2-CG 3.81Å; F112-M137 WeakPolarHBondContact CD2-O 3.42Å; F112-M137 HydrophobicContact CD2-SD 4.35Å; F112-M137 HydrophobicContact CE1-CE 4.01Å; F112-M137 HydrophobicContact CE2-CE 3.72Å; F112-M137 HydrophobicContact CE2-CG 4.21Å; F112-M137 HydrophobicContact CG-CE 3.28Å; F112-M137 HydrophobicContact CZ-CE 4.05Å; L113-M137 PolarHBondContact N-O 3.22Å; L113-M137 VanDerWaalsContact N-O 3.12Å; M137-I145 VanDerWaalsContact CA-O 3.29Å; M137-I145 WeakPolarHBondContact CA-O 3.39Å; M137-I145 HydrophobicContact CB-CB 3.9Å; M137-I145 HydrophobicContact CB-CG2 4.31Å; M137-I145 HydrophobicContact CG-CB 3.86Å; M137-I145 HydrophobicContact CG-CG2 3.73Å; M137-I145 HydrophobicContact SD-CB 4.35Å; M137-I145 HydrophobicContact SD-CG2 3.74Å; M137-C147 HydrophobicContact CG-CB 3.9Å; M137-M330 HydrophobicContact CE-CE 3.43Å; M137-M330 VanDerWaalsContact CE-CE 3.43Å; M137-M330 HydrophobicContact SD-CE 3.86Å; M137-L333 HydrophobicContact SD-CD2 4.44Å
138	A	98.2	Very high	97.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	173.7	-177.1	0	0	0	0	0	111.9	L113 R140 S143 I145 C147 W358 Y359	L113-A138 WeakPolarHBondContact O-CA 3.39Å; L113-A138 WeakPolarHBondContact O-CB 3.31Å; A138-R140 PolarHBondContact O-N 3.11Å; A138-S143 PolarHBondContact O-OG 3.47Å; A138-I145 PolarHBondContact N-O 2.95Å; A138-C147 CarbonylContact C-O 3.54Å; A138-C147 PolarHBondContact O-N 3.44Å; A138-W358 HydrophobicContact CB-CH2 4.18Å; A138-Y359 HydrophobicContact CB-CE2 3.98Å
139	F	97.2	Very high	97.2	Very high	10 Å²	10	27.9 Å²	27.9	4%	0.044	13%	0.133	C	C	.	.	S	Bend	trans	-66.7	-10.8	169.4	67.6	-94.7	0	0	0	113.8	F146 C147 F149 D248 F249 Y359	F139-F146 VanDerWaalsContact O-CE2 3.24Å; F139-F146 WeakPolarHBondContact O-CE2 3.4Å; F139-C147 WeakPolarHBondContact CA-O 3.14Å; F139-C147 PolarHBondContact N-O 3.1Å; F139-F149 HydrophobicContact CB-CD2 3.95Å; F139-F149 HydrophobicContact CB-CE2 3.88Å; F139-F149 HydrophobicContact CD1-CE2 4.08Å; F139-F149 HydrophobicContact CG-CE2 4.07Å; F139-D248 HydrophobicContact CD2-CB 4.32Å; F139-D248 WeakPolarHBondContact CD2-O 3.43Å; F139-D248 HydrophobicContact CE2-CB 4.44Å; F139-F249 AromaticContact CD1-CD2 3.88Å; F139-F249 HydrophobicContact CD1-CD2 3.88Å; F139-F249 HydrophobicContact CD1-CE2 4.22Å; F139-F249 HydrophobicContact CD2-CB 4.36Å; F139-F249 HydrophobicContact CD2-CD2 4.05Å; F139-F249 AromaticContact CE1-CD2 3.47Å; F139-F249 HydrophobicContact CE1-CD2 3.47Å; F139-F249 VanDerWaalsContact CE1-CD2 3.47Å; F139-F249 AromaticContact CE1-CE2 3.87Å; F139-F249 HydrophobicContact CE1-CE2 3.87Å; F139-F249 HydrophobicContact CE2-CB 3.73Å; F139-F249 AromaticContact CE2-CD2 3.67Å; F139-F249 HydrophobicContact CE2-CD2 3.67Å; F139-F249 HydrophobicContact CE2-CG 4.2Å; F139-F249 HydrophobicContact CG-CD2 4.18Å; F139-F249 HydrophobicContact CZ-CB 4.07Å; F139-F249 AromaticContact CZ-CD2 3.38Å; F139-F249 HydrophobicContact CZ-CD2 3.38Å; F139-F249 HydrophobicContact CZ-CE2 4.2Å; F139-F249 HydrophobicContact CZ-CG 4.14Å; F139-Y359 VanDerWaalsContact CE1-OH 3.28Å; F139-Y359 WeakPolarHBondContact CE1-OH 3.34Å
140	R	97	Very high	97.1	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.015	13%	0.126	C	C	.	.	S	Bend	trans	-72.5	133.7	-179.5	-74.4	-173.8	59.6	148.8	-4.6	110	A138 D142 S143 F146 W358 Y359 R362	A138-R140 PolarHBondContact O-N 3.11Å; R140-D142 WeakPolarHBondContact CB-OD1 3.38Å; R140-D142 IonicContact CZ-OD1 3.54Å; R140-D142 IonicContact CZ-OD2 3.35Å; R140-D142 IonicContact NE-OD1 3.63Å; R140-D142 PolarHBondContact NE-OD1 3.21Å; R140-D142 IonicContact NE-OD2 2.73Å; R140-D142 IonicContact NH2-OD1 3.07Å; R140-D142 PolarHBondContact NH2-OD1 3.01Å; R140-D142 VanDerWaalsContact NH2-OD1 3.07Å; R140-D142 IonicContact NH2-OD2 3.05Å; R140-D142 PolarHBondContact NH2-OD2 3.45Å; R140-D142 PolarHBondContact O-N 3.05Å; R140-D142 VanDerWaalsContact O-N 3.13Å; R140-S143 PolarHBondContact O-N 3.43Å; R140-S143 PolarHBondContact O-OG 3.04Å; R140-F146 WeakPolarHBondContact O-CD2 3.41Å; R140-W358 HydrophobicContact CB-CZ2 4.2Å; R140-W358 PolarHBondContact NH1-O 3.09Å; R140-W358 PolarHBondContact NH2-O 3.3Å; R140-Y359 HydrophobicContact CG-CE2 4.26Å; R140-Y359 PolarHBondContact NH1-O 2.8Å; R140-R362 PolarHBondContact NH1-O 2.9Å; R140-R362 PolarHBondContact NH2-O 3.28Å
141	R	96.6	Very high	97.1	Very high	113 Å²	113	24.7 Å²	24.7	43%	0.426	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.5	-179	-66.4	176.3	-70	160.9	-2.5	113.7	F146 D248	R141-F146 HydrophobicContact CB-CE2 4.45Å; R141-F146 HydrophobicContact CG-CD2 4.29Å; R141-F146 HydrophobicContact CG-CE2 3.68Å; R141-F146 HydrophobicContact CG-CZ 3.96Å; R141-D248 IonicContact CZ-OD1 2.84Å; R141-D248 VanDerWaalsContact CZ-OD1 3.24Å; R141-D248 IonicContact CZ-OD2 3.81Å; R141-D248 PolarHBondContact N-OD2 3.36Å; R141-D248 VanDerWaalsContact N-OD2 3.16Å; R141-D248 VanDerWaalsContact NE-CG 3.29Å; R141-D248 IonicContact NE-OD1 3.97Å; R141-D248 PolarHBondContact NE-OD1 2.95Å; R141-D248 IonicContact NE-OD2 2.99Å; R141-D248 PolarHBondContact NE-OD2 2.75Å; R141-D248 IonicContact NH2-OD1 3.35Å; R141-D248 PolarHBondContact NH2-OD1 3.44Å; R141-D248 IonicContact NH2-OD2 3.83Å
142	D	97	Very high	97.5	Very high	47 Å²	47	20 Å²	20	25%	0.251	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	18.7	178	61.8	5.7	0	0	0	113.5	R140 K247 W358	R140-D142 WeakPolarHBondContact CB-OD1 3.38Å; R140-D142 IonicContact CZ-OD1 3.54Å; R140-D142 IonicContact CZ-OD2 3.35Å; R140-D142 IonicContact NE-OD1 3.63Å; R140-D142 PolarHBondContact NE-OD1 3.21Å; R140-D142 IonicContact NE-OD2 2.73Å; R140-D142 IonicContact NH2-OD1 3.07Å; R140-D142 PolarHBondContact NH2-OD1 3.01Å; R140-D142 VanDerWaalsContact NH2-OD1 3.07Å; R140-D142 IonicContact NH2-OD2 3.05Å; R140-D142 PolarHBondContact NH2-OD2 3.45Å; R140-D142 PolarHBondContact O-N 3.05Å; R140-D142 VanDerWaalsContact O-N 3.13Å; D142-K247 IonicContact OD2-NZ 2.64Å; D142-K247 PolarHBondContact OD2-NZ 2.9Å; D142-W358 PolarHBondContact O-NE1 3.32Å; D142-W358 PolarHBondContact OD1-NE1 3.32Å
143	S	98.5	Very high	97.4	Very high	14 Å²	14	24 Å²	24	10%	0.098	11%	0.11	C	C	.	.	S	Bend	trans	-78.8	157.5	163.8	57.9	0	0	0	0	111.3	T136 A138 R140 I145	T136-S143 WeakPolarHBondContact OG1-CA 3.49Å; T136-S143 WeakPolarHBondContact OG1-CB 3.48Å; A138-S143 PolarHBondContact O-OG 3.47Å; R140-S143 PolarHBondContact O-N 3.43Å; R140-S143 PolarHBondContact O-OG 3.04Å; S143-I145 PolarHBondContact O-N 2.95Å; S143-I145 VanDerWaalsContact OG-C 3.26Å; S143-I145 PolarHBondContact OG-O 2.81Å
144	D	98.7	Very high	97.3	Very high	50 Å²	50	29.5 Å²	29.5	27%	0.267	14%	0.139	S	C	.	.	S	Bend	trans	-58.4	-40.7	173.7	-62.5	-67.3	0	0	0	111.7	L135 T136 S349 S351	L135-D144 VanDerWaalsContact CA-OD2 3.31Å; L135-D144 WeakPolarHBondContact CA-OD2 3.34Å; L135-D144 HydrophobicContact CB-CB 4.34Å; L135-D144 HydrophobicContact CD2-CB 3.92Å; T136-D144 PolarHBondContact N-OD2 2.95Å; T136-D144 WeakPolarHBondContact O-CB 3.46Å; T136-D144 PolarHBondContact O-N 3.38Å; T136-D144 PolarHBondContact OG1-N 3.27Å; T136-D144 PolarHBondContact OG1-OD2 2.96Å; D144-S349 VanDerWaalsContact CG-OG 3.22Å; D144-S349 WeakPolarHBondContact OD1-CB 3.44Å; D144-S349 PolarHBondContact OD1-OG 3.06Å; D144-S349 WeakPolarHBondContact OD2-CB 3.35Å; D144-S349 PolarHBondContact OD2-OG 3.06Å; D144-S351 PolarHBondContact OD2-OG 3.49Å
145	I	98.8	Very high	97.3	Very high	3 Å²	3	32 Å²	32	2%	0.015	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	103.8	178.6	-50.7	-55.1	0	0	0	109	T136 M137 A138 S143 C147 G329 Q332 L333 R336	T136-I145 PolarHBondContact O-N 2.63Å; M137-I145 VanDerWaalsContact CA-O 3.29Å; M137-I145 WeakPolarHBondContact CA-O 3.39Å; M137-I145 HydrophobicContact CB-CB 3.9Å; M137-I145 HydrophobicContact CB-CG2 4.31Å; M137-I145 HydrophobicContact CG-CB 3.86Å; M137-I145 HydrophobicContact CG-CG2 3.73Å; M137-I145 HydrophobicContact SD-CB 4.35Å; M137-I145 HydrophobicContact SD-CG2 3.74Å; A138-I145 PolarHBondContact N-O 2.95Å; S143-I145 PolarHBondContact O-N 2.95Å; S143-I145 VanDerWaalsContact OG-C 3.26Å; S143-I145 PolarHBondContact OG-O 2.81Å; I145-C147 PolarHBondContact O-N 3.28Å; I145-G329 WeakPolarHBondContact CG2-O 3.43Å; I145-Q332 HydrophobicContact CG2-CB 3.97Å; I145-L333 HydrophobicContact CD1-CB 4.33Å; I145-L333 HydrophobicContact CD1-CD1 4.36Å; I145-L333 HydrophobicContact CG1-CB 4.28Å; I145-L333 HydrophobicContact CG1-CD1 4.18Å; I145-L333 HydrophobicContact CG2-CB 4.07Å; I145-R336 HydrophobicContact CD1-CB 3.88Å; I145-R336 HydrophobicContact CD1-CG 4.24Å
146	F	98.4	Very high	97.1	Very high	50 Å²	50	39.6 Å²	39.6	22%	0.219	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	118.6	179.3	176.1	-124.6	0	0	0	110.9	F139 R140 R141 P148 Q332	F139-F146 VanDerWaalsContact O-CE2 3.24Å; F139-F146 WeakPolarHBondContact O-CE2 3.4Å; R140-F146 WeakPolarHBondContact O-CD2 3.41Å; R141-F146 HydrophobicContact CB-CE2 4.45Å; R141-F146 HydrophobicContact CG-CD2 4.29Å; R141-F146 HydrophobicContact CG-CE2 3.68Å; R141-F146 HydrophobicContact CG-CZ 3.96Å; F146-P148 HydrophobicContact CD1-CG 4.24Å; F146-P148 HydrophobicContact CE1-CB 3.93Å; F146-P148 HydrophobicContact CE1-CG 3.7Å; F146-P148 HydrophobicContact CE2-CB 4.08Å; F146-P148 HydrophobicContact CZ-CB 3.57Å; F146-P148 HydrophobicContact CZ-CG 3.89Å; F146-P148 WeakPolarHBondContact O-CD 3.36Å; F146-Q332 PolarHBondContact O-OE1 3.03Å
147	C	97.8	Very high	97	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.22	C	C	.	.			trans	-124.9	82.2	-177.8	-167.8	0	0	0	0	110.1	M114 M137 A138 F139 I145 F326	M114-C147 WeakPolarHBondContact CE-O 3.45Å; M114-C147 HydrophobicContact SD-CB 4.31Å; M137-C147 HydrophobicContact CG-CB 3.9Å; A138-C147 CarbonylContact C-O 3.54Å; A138-C147 PolarHBondContact O-N 3.44Å; F139-C147 WeakPolarHBondContact CA-O 3.14Å; F139-C147 PolarHBondContact N-O 3.1Å; I145-C147 PolarHBondContact O-N 3.28Å; C147-F326 WeakPolarHBondContact SG-CD1 3.49Å
148	P	97.1	Very high	97	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.052	24%	0.242	C	C	.	.			trans	-71.8	157.1	-177.4	27.6	-32.5	0	0	0	112.1	F146 G150 Y151 G325 I328	F146-P148 HydrophobicContact CD1-CG 4.24Å; F146-P148 HydrophobicContact CE1-CB 3.93Å; F146-P148 HydrophobicContact CE1-CG 3.7Å; F146-P148 HydrophobicContact CE2-CB 4.08Å; F146-P148 HydrophobicContact CZ-CB 3.57Å; F146-P148 HydrophobicContact CZ-CG 3.89Å; F146-P148 WeakPolarHBondContact O-CD 3.36Å; P148-G150 VanDerWaalsContact C-N 3.28Å; P148-G150 PolarHBondContact O-N 2.66Å; P148-Y151 HydrophobicContact CG-CD1 4.34Å; P148-G325 VanDerWaalsContact O-CA 3.27Å; P148-G325 WeakPolarHBondContact O-CA 3.45Å; P148-I328 HydrophobicContact CG-CD1 4.17Å
149	F	94.9	Very high	96.9	Very high	11 Å²	11	51.8 Å²	51.8	5%	0.048	26%	0.262	C	S	.	.	S	Bend	trans	-68.3	-30.7	168.9	-73.8	-86.8	0	0	0	112.8	M114 F139 F249 T251 F255 F322	M114-F149 HydrophobicContact CB-CE1 4.37Å; M114-F149 HydrophobicContact CB-CZ 4.18Å; M114-F149 HydrophobicContact CE-CD1 3.8Å; M114-F149 HydrophobicContact CE-CD2 4.01Å; M114-F149 HydrophobicContact CE-CE1 3.85Å; M114-F149 HydrophobicContact CE-CE2 4.05Å; M114-F149 HydrophobicContact CE-CG 3.92Å; M114-F149 HydrophobicContact CE-CZ 4.01Å; M114-F149 WeakPolarHBondContact O-CZ 3.45Å; F139-F149 HydrophobicContact CB-CD2 3.95Å; F139-F149 HydrophobicContact CB-CE2 3.88Å; F139-F149 HydrophobicContact CD1-CE2 4.08Å; F139-F149 HydrophobicContact CG-CE2 4.07Å; F149-F249 HydrophobicContact CE2-CD2 4.31Å; F149-F249 HydrophobicContact CE2-CE2 4.04Å; F149-F249 HydrophobicContact CZ-CE2 4.16Å; F149-T251 HydrophobicContact CD2-CG2 4.09Å; F149-T251 HydrophobicContact CE1-CG2 4.44Å; F149-T251 HydrophobicContact CE2-CG2 3.72Å; F149-T251 HydrophobicContact CZ-CG2 3.86Å; F149-F255 HydrophobicContact CB-CD2 4.44Å; F149-F322 HydrophobicContact CB-CD2 4.4Å; F149-F322 AromaticContact CD1-CD2 3.84Å; F149-F322 HydrophobicContact CD1-CD2 3.84Å; F149-F322 HydrophobicContact CD1-CE2 4.08Å; F149-F322 WeakPolarHBondContact O-CA 3.34Å; F149-F322 VanDerWaalsContact O-CB 3.23Å; F149-F322 WeakPolarHBondContact O-CB 3.27Å; F149-F322 PolarHBondContact O-N 3.39Å
150	G	94.5	Very high	96.8	Very high	3 Å²	3	60.8 Å²	60.8	3%	0.031	30%	0.301	C	S	.	.			trans	-174.8	173.1	177.7	0	0	0	0	0	109.3	P148 F255 V320	P148-G150 VanDerWaalsContact C-N 3.28Å; P148-G150 PolarHBondContact O-N 2.66Å; G150-F255 WeakPolarHBondContact O-CE1 3.29Å; G150-F255 VanDerWaalsContact O-CE2 3.27Å; G150-F255 WeakPolarHBondContact O-CE2 3.4Å; G150-F255 WeakPolarHBondContact O-CZ 3.22Å; G150-V320 WeakPolarHBondContact CA-O 3.44Å
151	Y	96.1	Very high	96.8	Very high	67 Å²	67	62.2 Å²	62.2	26%	0.263	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	167.3	-177.6	58.4	-83.3	0	0	0	110.7	P148 K153 V320 I328	P148-Y151 HydrophobicContact CG-CD1 4.34Å; Y151-K153 HydrophobicContact CE2-CB 4.43Å; Y151-V320 HydrophobicContact CD1-CB 3.99Å; Y151-V320 HydrophobicContact CD1-CG1 4.23Å; Y151-V320 HydrophobicContact CD2-CB 4.26Å; Y151-V320 HydrophobicContact CD2-CG2 4.2Å; Y151-V320 HydrophobicContact CE1-CB 3.65Å; Y151-V320 HydrophobicContact CE1-CG1 3.54Å; Y151-V320 HydrophobicContact CE1-CG2 4.16Å; Y151-V320 HydrophobicContact CE2-CB 3.96Å; Y151-V320 HydrophobicContact CE2-CG2 3.62Å; Y151-V320 HydrophobicContact CG-CB 4.28Å; Y151-V320 PolarHBondContact N-O 2.93Å; Y151-V320 VanDerWaalsContact N-O 3.11Å; Y151-V320 PolarHBondContact O-N 3.4Å; Y151-I328 HydrophobicContact CD1-CD1 3.56Å; Y151-I328 HydrophobicContact CD2-CD1 4.38Å; Y151-I328 HydrophobicContact CE1-CD1 3.32Å; Y151-I328 HydrophobicContact CE1-CG1 4.02Å; Y151-I328 HydrophobicContact CE2-CD1 4.17Å; Y151-I328 HydrophobicContact CG-CD1 4.09Å
152	L	96.4	Very high	96.7	Very high	32 Å²	32	60.3 Å²	60.3	17%	0.168	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.8	171.7	-56.6	-174.2	0	0	0	109.5	V258 L276 P277 W313 Y317 E318 A319	L152-V258 HydrophobicContact CD2-CG2 4.48Å; L152-L276 HydrophobicContact CD1-CD2 4.4Å; L152-P277 HydrophobicContact CD1-CG 3.64Å; L152-W313 HydrophobicContact CD1-CE3 4.21Å; L152-W313 HydrophobicContact CD1-CH2 4.23Å; L152-W313 HydrophobicContact CD1-CZ3 3.77Å; L152-W313 HydrophobicContact CD2-CH2 4.13Å; L152-W313 HydrophobicContact CD2-CZ3 4.03Å; L152-Y317 HydrophobicContact CB-CD1 4.23Å; L152-E318 WeakPolarHBondContact CA-O 3.34Å; L152-A319 HydrophobicContact CD2-CB 3.64Å
153	K	95.4	Very high	96.6	Very high	87 Å²	87	62.7 Å²	62.7	38%	0.378	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	145.5	170.6	60	173.4	160.1	130	0	109.9	Y151 Y317 E318 V320	Y151-K153 HydrophobicContact CE2-CB 4.43Å; K153-Y317 CarbonylContact O-C 3.57Å; K153-Y317 WeakPolarHBondContact O-CA 3.49Å; K153-E318 HydrophobicContact CD-CG 3.85Å; K153-E318 VanDerWaalsContact CE-CG 3.48Å; K153-E318 WeakPolarHBondContact CE-OE1 3.47Å; K153-E318 WeakPolarHBondContact CE-OE2 3.48Å; K153-E318 HydrophobicContact CG-CG 3.33Å; K153-E318 PolarHBondContact N-O 3.17Å; K153-E318 IonicContact NZ-OE1 3.86Å; K153-E318 PolarHBondContact NZ-OE1 3.3Å; K153-E318 IonicContact NZ-OE2 3.23Å; K153-E318 PolarHBondContact NZ-OE2 3.29Å; K153-E318 PolarHBondContact O-N 2.98Å; K153-V320 HydrophobicContact CD-CG2 4.09Å; K153-V320 HydrophobicContact CG-CG2 4.21Å
154	L	96.7	Very high	96.4	Very high	115 Å²	115	66.1 Å²	66.1	60%	0.602	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	134.6	171.6	-76.3	166.7	0	0	0	109.5	N316 Y317	L154-N316 CarbonylContact C-O 3.56Å; L154-N316 WeakPolarHBondContact CA-O 3.42Å; L154-Y317 HydrophobicContact CD2-CD1 3.77Å; L154-Y317 HydrophobicContact CD2-CE1 3.25Å; L154-Y317 HydrophobicContact CD2-CE2 4.32Å; L154-Y317 HydrophobicContact CD2-CG 4.48Å; L154-Y317 HydrophobicContact CG-CD1 4.15Å; L154-Y317 HydrophobicContact CG-CE1 3.77Å
155	R	97.1	Very high	96.3	Very high	58 Å²	58	66.8 Å²	66.8	22%	0.219	36%	0.355	C	S	.	.			trans	-73.4	138.7	169.3	-65.6	-174.2	-179.1	-80.5	1.1	109.4	P157 K314 N316 Y317 E318	R155-P157 WeakPolarHBondContact CB-O 3Å; R155-K314 PolarHBondContact NE-O 2.87Å; R155-N316 PolarHBondContact N-O 2.98Å; R155-Y317 PolarHBondContact NE-O 3.42Å; R155-Y317 VanDerWaalsContact NE-O 3.13Å; R155-E318 HydrophobicContact CG-CB 4.35Å; R155-E318 HydrophobicContact CG-CG 4.27Å
156	N	95.8	Very high	96.1	Very high	159 Å²	159	67.2 Å²	67.2	85%	0.85	36%	0.357	S	S	*	.	S	Bend	trans	-137	103.6	170.8	-172.4	19.6	0	0	0	109.4
157	P	96.9	Very high	96	Very high	102 Å²	102	67.2 Å²	67.2	66%	0.662	36%	0.358	S	S	*	.	S	Bend	cis	-77.8	160.6	2.5	33.3	-36.1	0	0	0	113.2	R155	R155-P157 WeakPolarHBondContact CB-O 3Å
158	P	97.2	Very high	95.9	Very high	73 Å²	73	71.2 Å²	71.2	47%	0.474	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-59.3	151.9	165.4	-21.8	33.3	0	0	0	112.2	D315	P158-D315 CarbonylContact C-O 3.56Å; P158-D315 WeakPolarHBondContact CA-O 3.27Å
159	L	96.4	Very high	95.7	Very high	81 Å²	81	72.6 Å²	72.6	42%	0.424	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-82.2	163.3	170.6	-54	175.2	0	0	0	110.5	D315	L159-D315 HydrophobicContact CB-CB 4.3Å; L159-D315 PolarHBondContact N-O 3.19Å; L159-D315 WeakPolarHBondContact O-CB 3.5Å
160	K	95.6	Very high	95.7	Very high	199 Å²	199	72 Å²	72	87%	0.865	39%	0.39	S	S	*	.			trans	-131	73	172.3	-66.7	-177.1	-179.4	179.1	0	108.3	P162	K160-P162 WeakPolarHBondContact O-CD 3.33Å
161	T	95.9	Very high	95.7	Very high	35 Å²	35	75.6 Å²	75.6	22%	0.215	41%	0.414	C	S	.	.			trans	-75.3	121.6	-174.2	-57.2	0	0	0	0	109.6	V165 W166 D315	T161-V165 HydrophobicContact CG2-CB 3.84Å; T161-V165 HydrophobicContact CG2-CG1 3.81Å; T161-W166 VanDerWaalsContact CB-CE2 3.45Å; T161-W166 VanDerWaalsContact CB-CZ2 3.43Å; T161-W166 HydrophobicContact CG2-CD2 3.78Å; T161-W166 HydrophobicContact CG2-CE3 4.33Å; T161-W166 HydrophobicContact CG2-CG 4.22Å; T161-W166 HydrophobicContact CG2-CH2 4.12Å; T161-W166 HydrophobicContact CG2-CZ2 3.57Å; T161-W166 HydrophobicContact CG2-CZ3 4.46Å; T161-W166 PolarHBondContact O-NE1 3.09Å; T161-D315 WeakPolarHBondContact CB-OD1 3.39Å; T161-D315 PolarHBondContact N-OD1 3.17Å; T161-D315 PolarHBondContact N-OD2 2.84Å; T161-D315 VanDerWaalsContact N-OD2 3.16Å; T161-D315 PolarHBondContact OG1-OD1 2.93Å
162	P	95.8	Very high	95.7	Very high	73 Å²	73	75.9 Å²	75.9	47%	0.474	43%	0.426	S	S	.	.			trans	-61.6	146.1	179.5	-23.3	34.1	0	0	0	112	K160 S164 V165 W166	K160-P162 WeakPolarHBondContact O-CD 3.33Å; P162-S164 PolarHBondContact O-N 3.02Å; P162-S164 VanDerWaalsContact O-N 3.14Å; P162-V165 HydrophobicContact CB-CG2 4.32Å; P162-V165 HydrophobicContact CG-CG2 4.28Å; P162-V165 WeakPolarHBondContact O-CB 3.47Å; P162-V165 PolarHBondContact O-N 3.38Å; P162-W166 PolarHBondContact O-N 2.67Å
163	L	93.6	Very high	95.6	Very high	96 Å²	96	74.6 Å²	74.6	50%	0.503	42%	0.419	S	S	.	.	H	α-helix	trans	-56.1	-32.7	176.6	-177.7	61.7	0	0	0	112.4	V165 W166 M167 I308	L163-V165 VanDerWaalsContact C-N 3.31Å; L163-V165 PolarHBondContact O-N 2.92Å; L163-W166 PolarHBondContact O-N 2.95Å; L163-M167 HydrophobicContact CD1-CE 4.27Å; L163-M167 HydrophobicContact CD1-CG 4.38Å; L163-M167 HydrophobicContact CG-CG 4.26Å; L163-M167 WeakPolarHBondContact O-CB 3.31Å; L163-M167 VanDerWaalsContact O-CG 3.31Å; L163-M167 WeakPolarHBondContact O-CG 3.36Å; L163-M167 PolarHBondContact O-N 2.95Å; L163-I308 HydrophobicContact CD1-CD1 4.21Å; L163-I308 HydrophobicContact CD1-CG2 4.24Å
164	S	96.3	Very high	95.6	Very high	86 Å²	86	75.1 Å²	75.1	60%	0.601	43%	0.431	S	S	*	.	H	α-helix	trans	-61.5	-37	176	53.8	0	0	0	0	113	P162 S168	P162-S164 PolarHBondContact O-N 3.02Å; P162-S164 VanDerWaalsContact O-N 3.14Å; S164-S168 WeakPolarHBondContact O-CB 3.21Å; S164-S168 PolarHBondContact O-N 3.31Å
165	V	95.8	Very high	95.6	Very high	65 Å²	65	73.7 Å²	73.7	39%	0.394	42%	0.42	S	S	.	.	H	α-helix	trans	-68.2	-45.8	175.4	177	0	0	0	0	109.9	T161 P162 L163 M167 S168 I169	T161-V165 HydrophobicContact CG2-CB 3.84Å; T161-V165 HydrophobicContact CG2-CG1 3.81Å; P162-V165 HydrophobicContact CB-CG2 4.32Å; P162-V165 HydrophobicContact CG-CG2 4.28Å; P162-V165 WeakPolarHBondContact O-CB 3.47Å; P162-V165 PolarHBondContact O-N 3.38Å; L163-V165 VanDerWaalsContact C-N 3.31Å; L163-V165 PolarHBondContact O-N 2.92Å; V165-M167 VanDerWaalsContact C-N 3.34Å; V165-M167 PolarHBondContact O-N 2.83Å; V165-S168 WeakPolarHBondContact O-CB 3.39Å; V165-S168 PolarHBondContact O-N 3.28Å; V165-I169 HydrophobicContact CG1-CD1 4.07Å; V165-I169 WeakPolarHBondContact O-CG1 3.04Å; V165-I169 PolarHBondContact O-N 3.14Å
166	W	94.8	Very high	95.5	Very high	12 Å²	12	73.8 Å²	73.8	5%	0.045	42%	0.422	C	S	.	.	H	α-helix	trans	-59.9	-43.3	175.4	-67.3	131.1	0	0	0	112.7	T161 P162 L163 S168 I169 A170 H261 I308 Y311 K314	T161-W166 VanDerWaalsContact CB-CE2 3.45Å; T161-W166 VanDerWaalsContact CB-CZ2 3.43Å; T161-W166 HydrophobicContact CG2-CD2 3.78Å; T161-W166 HydrophobicContact CG2-CE3 4.33Å; T161-W166 HydrophobicContact CG2-CG 4.22Å; T161-W166 HydrophobicContact CG2-CH2 4.12Å; T161-W166 HydrophobicContact CG2-CZ2 3.57Å; T161-W166 HydrophobicContact CG2-CZ3 4.46Å; T161-W166 PolarHBondContact O-NE1 3.09Å; P162-W166 PolarHBondContact O-N 2.67Å; L163-W166 PolarHBondContact O-N 2.95Å; W166-S168 VanDerWaalsContact C-N 3.35Å; W166-S168 PolarHBondContact O-N 3.38Å; W166-I169 HydrophobicContact CE3-CD1 3.94Å; W166-I169 HydrophobicContact CZ3-CD1 4.01Å; W166-I169 PolarHBondContact O-N 2.91Å; W166-A170 WeakPolarHBondContact O-CB 3.41Å; W166-A170 PolarHBondContact O-N 3.4Å; W166-H261 AromaticContact CZ3-CD2 3.56Å; W166-H261 AromaticContact CZ3-NE2 3.48Å; W166-H261 WeakPolarHBondContact CZ3-NE2 3.45Å; W166-I308 HydrophobicContact CB-CD1 4.05Å; W166-I308 HydrophobicContact CB-CG1 4.08Å; W166-I308 HydrophobicContact CB-CG2 3.67Å; W166-I308 HydrophobicContact CG-CG2 3.99Å; W166-Y311 HydrophobicContact CB-CE2 4.36Å; W166-Y311 HydrophobicContact CD2-CD2 4.1Å; W166-Y311 HydrophobicContact CD2-CE2 4.04Å; W166-Y311 AromaticContact CE3-CD2 3.53Å; W166-Y311 HydrophobicContact CE3-CD2 3.53Å; W166-Y311 AromaticContact CE3-CE2 3.51Å; W166-Y311 HydrophobicContact CE3-CE2 3.51Å; W166-Y311 HydrophobicContact CG-CE2 4.43Å; W166-Y311 HydrophobicContact CH2-CD2 4.45Å; W166-Y311 AromaticContact CZ3-CD2 3.76Å; W166-Y311 HydrophobicContact CZ3-CD2 3.76Å; W166-Y311 HydrophobicContact CZ3-CE2 4.17Å; W166-K314 HydrophobicContact CH2-CB 4.17Å; W166-K314 HydrophobicContact CH2-CD 4.37Å
167	M	95.6	Very high	95.6	Very high	50 Å²	50	66.3 Å²	66.3	25%	0.246	38%	0.382	C	S	.	.	H	α-helix	trans	-61.6	-40.8	175.7	-76	-67.6	-179	0	0	112.3	L163 V165 A170 S171 L304 I308	L163-M167 HydrophobicContact CD1-CE 4.27Å; L163-M167 HydrophobicContact CD1-CG 4.38Å; L163-M167 HydrophobicContact CG-CG 4.26Å; L163-M167 WeakPolarHBondContact O-CB 3.31Å; L163-M167 VanDerWaalsContact O-CG 3.31Å; L163-M167 WeakPolarHBondContact O-CG 3.36Å; L163-M167 PolarHBondContact O-N 2.95Å; V165-M167 VanDerWaalsContact C-N 3.34Å; V165-M167 PolarHBondContact O-N 2.83Å; M167-A170 PolarHBondContact O-N 2.66Å; M167-S171 VanDerWaalsContact O-CB 3.3Å; M167-S171 WeakPolarHBondContact O-CB 3.31Å; M167-S171 PolarHBondContact O-N 3.12Å; M167-S171 PolarHBondContact O-OG 2.02Å; M167-L304 HydrophobicContact SD-CB 3.9Å; M167-L304 HydrophobicContact SD-CD1 4.44Å; M167-I308 HydrophobicContact CB-CD1 4.44Å; M167-I308 HydrophobicContact CE-CD1 3.59Å; M167-I308 HydrophobicContact CG-CD1 3.74Å; M167-I308 HydrophobicContact SD-CD1 3.31Å; M167-I308 WeakPolarHBondContact SD-CD1 3.19Å
168	S	95.9	Very high	95.6	Very high	83 Å²	83	61.4 Å²	61.4	58%	0.58	35%	0.351	S	S	*	.	H	α-helix	trans	-63.1	-46.3	176.3	-178.2	0	0	0	0	111.5	S164 V165 W166 A170 S171 S172	S164-S168 WeakPolarHBondContact O-CB 3.21Å; S164-S168 PolarHBondContact O-N 3.31Å; V165-S168 WeakPolarHBondContact O-CB 3.39Å; V165-S168 PolarHBondContact O-N 3.28Å; W166-S168 VanDerWaalsContact C-N 3.35Å; W166-S168 PolarHBondContact O-N 3.38Å; S168-A170 PolarHBondContact O-N 2.9Å; S168-S171 PolarHBondContact O-N 3.3Å; S168-S172 WeakPolarHBondContact O-CB 3Å; S168-S172 PolarHBondContact O-N 2.99Å; S168-S172 PolarHBondContact O-OG 3.22Å
169	I	93.4	Very high	95.5	Very high	37 Å²	37	58.7 Å²	58.7	19%	0.19	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-47.1	176.2	-66	166.5	0	0	0	110.4	V165 W166 S171 S172 H261	V165-I169 HydrophobicContact CG1-CD1 4.07Å; V165-I169 WeakPolarHBondContact O-CG1 3.04Å; V165-I169 PolarHBondContact O-N 3.14Å; W166-I169 HydrophobicContact CE3-CD1 3.94Å; W166-I169 HydrophobicContact CZ3-CD1 4.01Å; W166-I169 PolarHBondContact O-N 2.91Å; I169-S171 VanDerWaalsContact C-N 3.31Å; I169-S171 PolarHBondContact O-N 3.46Å; I169-S172 PolarHBondContact O-N 2.99Å; I169-S172 PolarHBondContact O-OG 3.34Å; I169-H261 HydrophobicContact CG2-CB 3.67Å
170	A	94.2	Very high	95.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-40.1	179.7	0	0	0	0	0	112.9	W166 M167 S168 K236 L304 Y307 I308 Y311	W166-A170 WeakPolarHBondContact O-CB 3.41Å; W166-A170 PolarHBondContact O-N 3.4Å; M167-A170 PolarHBondContact O-N 2.66Å; S168-A170 PolarHBondContact O-N 2.9Å; A170-K236 WeakPolarHBondContact O-CE 3.25Å; A170-L304 HydrophobicContact CB-CB 4.48Å; A170-L304 HydrophobicContact CB-CD1 4.43Å; A170-L304 HydrophobicContact CB-CD2 4.15Å; A170-Y307 HydrophobicContact CB-CD1 3.84Å; A170-Y307 HydrophobicContact CB-CE1 3.98Å; A170-I308 HydrophobicContact CB-CD1 4.25Å; A170-I308 HydrophobicContact CB-CG1 4.09Å; A170-Y311 WeakPolarHBondContact CB-OH 3.39Å
171	S	95	Very high	95	Very high	77 Å²	77	46.5 Å²	46.5	54%	0.538	28%	0.277	S	S	.	.	H	α-helix	trans	-79.7	-24.1	-177	-53.8	0	0	0	0	113.1	M167 S168 I169 K173 L304	M167-S171 VanDerWaalsContact O-CB 3.3Å; M167-S171 WeakPolarHBondContact O-CB 3.31Å; M167-S171 PolarHBondContact O-N 3.12Å; M167-S171 PolarHBondContact O-OG 2.02Å; S168-S171 PolarHBondContact O-N 3.3Å; I169-S171 VanDerWaalsContact C-N 3.31Å; I169-S171 PolarHBondContact O-N 3.46Å; S171-K173 VanDerWaalsContact C-N 3.26Å; S171-K173 PolarHBondContact O-N 3.43Å; S171-L304 VanDerWaalsContact OG-CD1 3.29Å; S171-L304 WeakPolarHBondContact OG-CD1 3.04Å
172	S	95.2	Very high	94.5	Very high	74 Å²	74	47.1 Å²	47.1	52%	0.517	28%	0.278	S	S	.	.	H	α-helix	trans	-73.9	-13.2	-177.6	63.6	0	0	0	0	114.6	S168 I169 P174	S168-S172 WeakPolarHBondContact O-CB 3Å; S168-S172 PolarHBondContact O-N 2.99Å; S168-S172 PolarHBondContact O-OG 3.22Å; I169-S172 PolarHBondContact O-N 2.99Å; I169-S172 PolarHBondContact O-OG 3.34Å; S172-P174 WeakPolarHBondContact O-CD 3.34Å
173	K	95.1	Very high	94.1	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.022	28%	0.275	C	S	.	.			trans	-95.1	104.9	-176.4	-69.3	158.6	172.9	-70	0	111.1	S171 K232 N234 Y235 K236 S260 H261	S171-K173 VanDerWaalsContact C-N 3.26Å; S171-K173 PolarHBondContact O-N 3.43Å; K173-K232 PolarHBondContact NZ-O 2.92Å; K173-N234 CarbonylContact C-O 3.51Å; K173-Y235 VanDerWaalsContact CD-O 3.24Å; K173-Y235 WeakPolarHBondContact CD-O 3.38Å; K173-Y235 PolarHBondContact NZ-O 3.37Å; K173-K236 HydrophobicContact CB-CG 3.75Å; K173-K236 HydrophobicContact CD-CG 4.23Å; K173-K236 VanDerWaalsContact O-CE 3.23Å; K173-K236 WeakPolarHBondContact O-CE 3.21Å; K173-S260 PolarHBondContact NZ-O 2.86Å; K173-H261 VanDerWaalsContact CE-O 3.22Å; K173-H261 WeakPolarHBondContact CE-O 3.02Å; K173-H261 PolarHBondContact NZ-O 3.26Å
174	P	94.9	Very high	94	Very high	98 Å²	98	45.5 Å²	45.5	64%	0.636	27%	0.265	S	S	*	.			trans	-74.4	-24.5	-176.5	27.8	-37.8	0	0	0	114.9	S172 N234	S172-P174 WeakPolarHBondContact O-CD 3.34Å; P174-N234 WeakPolarHBondContact CD-O 3.45Å
175	K	96.2	Very high	93.9	Very high	84 Å²	84	50.6 Å²	50.6	37%	0.365	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	153.9	-172.4	-61.4	-173.2	169.2	-162.7	0	112.2	D204 N234 Y235 K236	K175-D204 WeakPolarHBondContact CD-OD2 3.23Å; K175-D204 IonicContact NZ-OD2 2.8Å; K175-D204 PolarHBondContact NZ-OD2 3.47Å; K175-N234 WeakPolarHBondContact CA-O 3.15Å; K175-N234 WeakPolarHBondContact CB-O 3.41Å; K175-N234 HydrophobicContact CD-CB 4.3Å; K175-N234 HydrophobicContact CG-CB 4.47Å; K175-N234 PolarHBondContact N-O 3.15Å; K175-Y235 HydrophobicContact CB-CD1 3.49Å; K175-Y235 VanDerWaalsContact CB-CD1 3.49Å; K175-Y235 HydrophobicContact CB-CE1 3.59Å; K175-Y235 HydrophobicContact CB-CG 4.1Å; K175-Y235 HydrophobicContact CD-CD1 4.21Å; K175-Y235 HydrophobicContact CD-CE1 3.48Å; K175-Y235 VanDerWaalsContact CD-CE1 3.48Å; K175-Y235 HydrophobicContact CD-CE2 4.1Å; K175-Y235 VanDerWaalsContact CD-CZ 3.43Å; K175-Y235 WeakPolarHBondContact CD-OH 3.43Å; K175-Y235 HydrophobicContact CG-CE1 4.2Å; K175-Y235 PolarHBondContact NZ-OH 2.68Å; K175-Y235 WeakPolarHBondContact O-CA 3.49Å; K175-K236 PolarHBondContact O-N 3Å; K175-K236 VanDerWaalsContact O-N 3.1Å
176	K	95.9	Very high	94	Very high	60 Å²	60	48 Å²	48	26%	0.261	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-80.2	-179	-62.2	179.7	-171	172.6	0	111.3	L201 K236 F237 D298 N301	K176-L201 HydrophobicContact CD-CD1 4.1Å; K176-K236 PolarHBondContact O-N 3Å; K176-K236 VanDerWaalsContact O-N 3.14Å; K176-F237 WeakPolarHBondContact O-CD2 3.5Å; K176-F237 PolarHBondContact O-N 3.46Å; K176-D298 WeakPolarHBondContact CE-OD1 3.39Å; K176-D298 IonicContact NZ-OD1 2.68Å; K176-D298 PolarHBondContact NZ-OD1 3.38Å; K176-N301 WeakPolarHBondContact CE-ND2 3.36Å; K176-N301 HydrophobicContact CG-CB 4.43Å
177	V	98	Very high	94.1	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.2	-165.1	-169.4	0	0	0	0	111.8	L201 V203 D204 Y235 F237 I239 I265 I297	V177-L201 HydrophobicContact CG2-CD2 3.6Å; V177-L201 HydrophobicContact CG2-CG 4.2Å; V177-V203 HydrophobicContact CB-CG2 4.27Å; V177-V203 HydrophobicContact CG1-CG1 4.17Å; V177-V203 HydrophobicContact CG1-CG2 4.22Å; V177-D204 PolarHBondContact O-N 3.39Å; V177-D204 VanDerWaalsContact O-N 3.09Å; V177-Y235 VanDerWaalsContact C-CD1 3.49Å; V177-Y235 WeakPolarHBondContact O-CE1 3.29Å; V177-F237 WeakPolarHBondContact CA-O 3.46Å; V177-F237 HydrophobicContact CG1-CB 4.47Å; V177-F237 HydrophobicContact CG2-CB 4.05Å; V177-F237 HydrophobicContact CG2-CD2 4.34Å; V177-I239 HydrophobicContact CG1-CD1 3.88Å; V177-I239 HydrophobicContact CG1-CG1 3.63Å; V177-I265 HydrophobicContact CG1-CD1 4.27Å; V177-I297 HydrophobicContact CG2-CD1 4.46Å; V177-I297 HydrophobicContact CG2-CG2 3.92Å
178	V	96.1	Very high	94.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	144.9	167.6	63.8	0	0	0	0	111.2	V180 D204 Y206 F231 Y235 F237 Y238 I239 M262	V178-V180 HydrophobicContact CG2-CG2 4.22Å; V178-D204 CarbonylContact C-O 3.46Å; V178-D204 WeakPolarHBondContact CA-O 3.48Å; V178-Y206 HydrophobicContact CG2-CD2 3.56Å; V178-Y206 HydrophobicContact CG2-CE2 3.68Å; V178-F231 HydrophobicContact CG1-CB 4.49Å; V178-F231 HydrophobicContact CG2-CD1 3.85Å; V178-F231 HydrophobicContact CG2-CE1 3.91Å; V178-F231 HydrophobicContact CG2-CG 4.49Å; V178-Y235 HydrophobicContact CB-CD1 3.57Å; V178-Y235 HydrophobicContact CB-CD2 3.9Å; V178-Y235 HydrophobicContact CB-CE1 3.73Å; V178-Y235 HydrophobicContact CB-CE2 4.04Å; V178-Y235 HydrophobicContact CB-CG 3.63Å; V178-Y235 HydrophobicContact CG1-CD1 4.12Å; V178-Y235 HydrophobicContact CG1-CD2 3.97Å; V178-Y235 HydrophobicContact CG1-CG 3.71Å; V178-Y235 HydrophobicContact CG2-CD2 4.44Å; V178-Y235 HydrophobicContact CG2-CE1 4.36Å; V178-Y235 HydrophobicContact CG2-CE2 4.18Å; V178-F237 PolarHBondContact N-O 3.45Å; V178-Y238 HydrophobicContact CG1-CD2 3.96Å; V178-Y238 WeakPolarHBondContact O-CA 3.29Å; V178-Y238 WeakPolarHBondContact O-CD2 3.49Å; V178-I239 PolarHBondContact O-N 2.74Å; V178-M262 HydrophobicContact CG1-SD 4.05Å
179	W	95.3	Very high	94.3	Very high	15 Å²	15	46.1 Å²	46.1	6%	0.057	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.9	172.6	-176.2	37.6	0	0	0	109.8	V181 R190 E191 V194 V203 D204 S205 Y206 I239	W179-V181 HydrophobicContact CD2-CB 4.16Å; W179-V181 HydrophobicContact CD2-CG1 3.7Å; W179-V181 HydrophobicContact CE3-CG1 3.78Å; W179-V181 HydrophobicContact CG-CG1 4.37Å; W179-V181 HydrophobicContact CH2-CB 4.38Å; W179-V181 HydrophobicContact CH2-CG1 3.9Å; W179-V181 HydrophobicContact CH2-CG2 4.23Å; W179-V181 HydrophobicContact CZ2-CB 3.82Å; W179-V181 HydrophobicContact CZ2-CG1 3.81Å; W179-V181 HydrophobicContact CZ2-CG2 3.7Å; W179-V181 HydrophobicContact CZ3-CG1 3.89Å; W179-R190 HydrophobicContact CZ2-CG 4.32Å; W179-E191 HydrophobicContact CH2-CB 4.16Å; W179-V194 HydrophobicContact CD2-CG1 4.03Å; W179-V194 HydrophobicContact CD2-CG2 4.21Å; W179-V194 HydrophobicContact CE3-CB 4.15Å; W179-V194 HydrophobicContact CE3-CG1 3.5Å; W179-V194 VanDerWaalsContact CE3-CG1 3.5Å; W179-V194 HydrophobicContact CE3-CG2 4.34Å; W179-V194 HydrophobicContact CH2-CB 4.09Å; W179-V194 HydrophobicContact CH2-CG1 4.31Å; W179-V194 HydrophobicContact CH2-CG2 4.24Å; W179-V194 HydrophobicContact CZ2-CB 4.45Å; W179-V194 HydrophobicContact CZ2-CG2 4.09Å; W179-V194 HydrophobicContact CZ3-CB 3.92Å; W179-V194 HydrophobicContact CZ3-CG1 3.65Å; W179-V194 HydrophobicContact CZ3-CG2 4.35Å; W179-V203 HydrophobicContact CB-CG1 3.82Å; W179-D204 PolarHBondContact N-O 3.39Å; W179-S205 CarbonylContact O-C 3.55Å; W179-S205 VanDerWaalsContact O-CA 3.31Å; W179-S205 WeakPolarHBondContact O-CA 3.24Å; W179-Y206 PolarHBondContact O-N 2.68Å; W179-I239 HydrophobicContact CB-CB 4.08Å; W179-I239 HydrophobicContact CB-CD1 4.25Å; W179-I239 HydrophobicContact CB-CG1 4.49Å; W179-I239 HydrophobicContact CG-CB 4.02Å; W179-I239 HydrophobicContact CG-CD1 4.48Å; W179-I239 HydrophobicContact CG-CG2 4.21Å
180	V	92	Very high	94.4	Very high	22 Å²	22	44.7 Å²	44.7	13%	0.133	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.1	-178.2	-172.8	0	0	0	0	108.4	V178 Y206 F231 Y238	V178-V180 HydrophobicContact CG2-CG2 4.22Å; V180-Y206 WeakPolarHBondContact CA-O 3.44Å; V180-F231 HydrophobicContact CG1-CE2 4.46Å; V180-F231 HydrophobicContact CG2-CD2 4.02Å; V180-F231 HydrophobicContact CG2-CE1 4.37Å; V180-F231 HydrophobicContact CG2-CE2 3.39Å; V180-F231 HydrophobicContact CG2-CZ 3.59Å; V180-Y238 HydrophobicContact CB-CE2 4.11Å; V180-Y238 HydrophobicContact CG2-CE2 3.93Å
181	V	89.6	Confident	94.6	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.018	24%	0.242	C	C	.	.			trans	-146.1	127.6	-166.4	56	0	0	0	0	112.3	W179 F183 Y206 G207 N208 C209	W179-V181 HydrophobicContact CD2-CB 4.16Å; W179-V181 HydrophobicContact CD2-CG1 3.7Å; W179-V181 HydrophobicContact CE3-CG1 3.78Å; W179-V181 HydrophobicContact CG-CG1 4.37Å; W179-V181 HydrophobicContact CH2-CB 4.38Å; W179-V181 HydrophobicContact CH2-CG1 3.9Å; W179-V181 HydrophobicContact CH2-CG2 4.23Å; W179-V181 HydrophobicContact CZ2-CB 3.82Å; W179-V181 HydrophobicContact CZ2-CG1 3.81Å; W179-V181 HydrophobicContact CZ2-CG2 3.7Å; W179-V181 HydrophobicContact CZ3-CG1 3.89Å; V181-F183 WeakPolarHBondContact CG2-O 3.34Å; V181-Y206 PolarHBondContact N-O 3.15Å; V181-G207 CarbonylContact O-C 3.52Å; V181-G207 WeakPolarHBondContact O-CA 3.5Å; V181-N208 PolarHBondContact O-N 2.9Å; V181-N208 VanDerWaalsContact O-N 3.12Å; V181-C209 HydrophobicContact CG1-CB 3.76Å; V181-C209 HydrophobicContact CG2-CB 4.27Å; V181-C209 PolarHBondContact O-N 3.28Å
182	N	86.7	Confident	94.7	Very high	47 Å²	47	45.6 Å²	45.6	25%	0.251	23%	0.233	S	C	.	.	S	Bend	trans	-112.8	-16.1	177.1	-70.5	6.2	0	0	0	113.9	G207 N208 K216	N182-G207 WeakPolarHBondContact OD1-CA 3.48Å; N182-N208 PolarHBondContact OD1-N 3.3Å; N182-K216 WeakPolarHBondContact ND2-CG 3.3Å
183	F	87	Confident	94.8	Very high	94 Å²	94	42.2 Å²	42.2	41%	0.412	21%	0.209	S	C	.	.			trans	-115.6	110.1	-179.5	-169.1	-126.5	0	0	0	109.1	Y119 V181 Y185 T186 R190 C209 N243	Y119-F183 HydrophobicContact CE1-CE1 4.28Å; Y119-F183 VanDerWaalsContact OH-CE1 3.29Å; Y119-F183 WeakPolarHBondContact OH-CE1 3.41Å; V181-F183 WeakPolarHBondContact CG2-O 3.34Å; F183-Y185 WeakPolarHBondContact CE1-O 3.49Å; F183-Y185 WeakPolarHBondContact CZ-O 3.46Å; F183-T186 HydrophobicContact CD1-CG2 3.59Å; F183-T186 HydrophobicContact CE1-CG2 4.09Å; F183-T186 HydrophobicContact CG-CG2 4.38Å; F183-T186 WeakPolarHBondContact O-CG2 3.48Å; F183-R190 PolarHBondContact O-NH2 3.05Å; F183-C209 VanDerWaalsContact C-SG 3.59Å; F183-N243 HydrophobicContact CD1-CB 4Å
184	C	90.9	Very high	95	Very high	41 Å²	41	42 Å²	42	28%	0.277	21%	0.208	S	C	.	.			trans	-94.9	-16.7	-160.2	-44.5	0	0	0	0	114.4	E191 C209	C184-E191 VanDerWaalsContact O-CG 3.24Å; C184-E191 WeakPolarHBondContact O-CG 3.2Å; C184-C209 WeakPolarHBondContact CA-SG 3.49Å; C184-C209 HydrophobicContact CB-CB 3.77Å; C184-C209 WeakPolarHBondContact CB-SG 3.38Å; C184-C209 PolarHBondContact N-SG 2.74Å; C184-C209 VanDerWaalsContact SG-CA 3.55Å; C184-C209 WeakPolarHBondContact SG-CB 3.32Å; C184-C209 CovalentContact SG-SG 2.02Å; C184-C209 PolarHBondContact SG-SG 3.43Å
185	Y	94.6	Very high	95.1	Very high	193 Å²	193	39.8 Å²	39.8	76%	0.757	20%	0.198	S	C	*	.	S	Bend	trans	-126.3	110.8	177	-61.3	-77.2	0	0	0	107.1	F183	F183-Y185 WeakPolarHBondContact CE1-O 3.49Å; F183-Y185 WeakPolarHBondContact CZ-O 3.46Å
186	T	97	Very high	95.1	Very high	11 Å²	11	37.6 Å²	37.6	7%	0.067	19%	0.189	C	C	.	.			trans	-124.4	152.7	-171.7	79.9	0	0	0	0	112.1	F183 S188 Q189 R190 E191 N243	F183-T186 HydrophobicContact CD1-CG2 3.59Å; F183-T186 HydrophobicContact CE1-CG2 4.09Å; F183-T186 HydrophobicContact CG-CG2 4.38Å; F183-T186 WeakPolarHBondContact O-CG2 3.48Å; T186-S188 PolarHBondContact O-N 2.86Å; T186-S188 PolarHBondContact OG1-OG 3.2Å; T186-Q189 PolarHBondContact O-N 3.33Å; T186-Q189 PolarHBondContact OG1-N 3.27Å; T186-R190 HydrophobicContact CG2-CG 4.18Å; T186-R190 PolarHBondContact OG1-N 2.84Å; T186-E191 PolarHBondContact N-OE1 2.6Å; T186-E191 PolarHBondContact N-OE2 3.05Å; T186-E191 PolarHBondContact OG1-OE2 3.31Å; T186-E191 VanDerWaalsContact OG1-OE2 3.13Å; T186-N243 VanDerWaalsContact CB-O 3.29Å; T186-N243 WeakPolarHBondContact CB-O 3.38Å; T186-N243 HydrophobicContact CG2-CB 3.9Å
187	T	97.3	Very high	95.3	Very high	38 Å²	38	34.8 Å²	34.8	23%	0.233	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.4	173.9	53.6	0	0	0	0	111.7	H118 Q189 N243 S244 G368	H118-T187 HydrophobicContact CB-CG2 3.91Å; H118-T187 PolarHBondContact CD2-OG1 3.08Å; H118-T187 VanDerWaalsContact CD2-OG1 3.23Å; T187-Q189 VanDerWaalsContact C-N 3.26Å; T187-Q189 PolarHBondContact O-N 3.17Å; T187-N243 PolarHBondContact OG1-O 3.26Å; T187-S244 PolarHBondContact OG1-OG 3.28Å; T187-G368 PolarHBondContact O-N 2.79Å
188	S	97.8	Very high	95.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.3	171.2	62.7	0	0	0	0	114.3	T186 R190 E242 N243 Y369 G370	T186-S188 PolarHBondContact O-N 2.86Å; T186-S188 PolarHBondContact OG1-OG 3.2Å; S188-R190 PolarHBondContact O-N 2.64Å; S188-E242 PolarHBondContact OG-O 2.79Å; S188-N243 WeakPolarHBondContact CB-O 3.23Å; S188-N243 PolarHBondContact N-O 2.9Å; S188-N243 VanDerWaalsContact N-O 3.16Å; S188-N243 VanDerWaalsContact OG-C 3.3Å; S188-N243 PolarHBondContact OG-O 3.3Å; S188-N243 VanDerWaalsContact OG-O 3.09Å; S188-Y369 PolarHBondContact O-N 3.2Å; S188-G370 PolarHBondContact O-N 3.27Å
189	Q	97.7	Very high	95.3	Very high	67 Å²	67	45.3 Å²	45.3	31%	0.313	22%	0.224	S	C	.	.			trans	51.6	39.4	-171.1	-64.6	177.7	-6.9	0	0	112.5	T186 T187 E191 V192 G368 S371	T186-Q189 PolarHBondContact O-N 3.33Å; T186-Q189 PolarHBondContact OG1-N 3.27Å; T187-Q189 VanDerWaalsContact C-N 3.26Å; T187-Q189 PolarHBondContact O-N 3.17Å; Q189-E191 PolarHBondContact O-N 2.83Å; Q189-V192 HydrophobicContact CB-CB 4.41Å; Q189-V192 HydrophobicContact CB-CG2 3.95Å; Q189-V192 PolarHBondContact O-N 3.46Å; Q189-G368 VanDerWaalsContact OE1-CA 3.32Å; Q189-S371 PolarHBondContact OE1-OG 2.83Å
190	R	97.2	Very high	95.5	Very high	8 Å²	8	48.8 Å²	48.8	3%	0.03	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-33.6	-178.6	66.9	-180	175.3	-176	-6.9	111.5	W179 F183 T186 S188 V192 Y193 V194 F241 E242 M267	W179-R190 HydrophobicContact CZ2-CG 4.32Å; F183-R190 PolarHBondContact O-NH2 3.05Å; T186-R190 HydrophobicContact CG2-CG 4.18Å; T186-R190 PolarHBondContact OG1-N 2.84Å; S188-R190 PolarHBondContact O-N 2.64Å; R190-V192 VanDerWaalsContact C-N 3.31Å; R190-V192 PolarHBondContact O-N 2.89Å; R190-Y193 PolarHBondContact O-N 3.47Å; R190-V194 WeakPolarHBondContact O-CG2 3.25Å; R190-V194 PolarHBondContact O-N 2.97Å; R190-F241 HydrophobicContact CB-CB 3.83Å; R190-F241 HydrophobicContact CB-CD2 4.05Å; R190-F241 HydrophobicContact CB-CG 4.41Å; R190-F241 WeakPolarHBondContact CD-O 3.23Å; R190-F241 HydrophobicContact CG-CB 4.43Å; R190-F241 PolarHBondContact NH1-O 3.22Å; R190-E242 WeakPolarHBondContact CD-O 3.32Å; R190-M267 HydrophobicContact CB-SD 4.04Å
191	E	97	Very high	95.7	Very high	38 Å²	38	48 Å²	48	18%	0.178	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-38	177.7	64.9	-78.3	-179.3	0	0	112	W179 C184 T186 Q189 V194 A195	W179-E191 HydrophobicContact CH2-CB 4.16Å; C184-E191 VanDerWaalsContact O-CG 3.24Å; C184-E191 WeakPolarHBondContact O-CG 3.2Å; T186-E191 PolarHBondContact N-OE1 2.6Å; T186-E191 PolarHBondContact N-OE2 3.05Å; T186-E191 PolarHBondContact OG1-OE2 3.31Å; T186-E191 VanDerWaalsContact OG1-OE2 3.13Å; Q189-E191 PolarHBondContact O-N 2.83Å; E191-V194 PolarHBondContact O-N 3.11Å; E191-A195 WeakPolarHBondContact O-CB 3.32Å; E191-A195 PolarHBondContact O-N 2.78Å
192	V	97.2	Very high	96	Very high	58 Å²	58	54 Å²	54	35%	0.352	26%	0.264	S	S	.	.	H	α-helix	trans	-66	-43.8	178	-174.2	0	0	0	0	109.9	Q189 R190 A195 E196 I374	Q189-V192 HydrophobicContact CB-CB 4.41Å; Q189-V192 HydrophobicContact CB-CG2 3.95Å; Q189-V192 PolarHBondContact O-N 3.46Å; R190-V192 VanDerWaalsContact C-N 3.31Å; R190-V192 PolarHBondContact O-N 2.89Å; V192-A195 PolarHBondContact O-N 3.19Å; V192-E196 PolarHBondContact O-N 2.89Å; V192-E196 VanDerWaalsContact O-N 3.12Å; V192-I374 HydrophobicContact CG1-CD1 3.81Å
193	Y	98.1	Very high	96.5	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-44.1	176.4	-171.3	-80.8	0	0	0	112.1	R190 E196 L197 F241 A284 P290 L293 L373 I374	R190-Y193 PolarHBondContact O-N 3.47Å; Y193-E196 PolarHBondContact O-N 3.22Å; Y193-L197 WeakPolarHBondContact O-CB 3.27Å; Y193-L197 PolarHBondContact O-N 3.13Å; Y193-F241 AromaticContact CD1-CE2 3.58Å; Y193-F241 HydrophobicContact CD1-CE2 3.58Å; Y193-F241 AromaticContact CD1-CZ 3.91Å; Y193-F241 HydrophobicContact CD1-CZ 3.91Å; Y193-F241 HydrophobicContact CE1-CE2 4.14Å; Y193-F241 AromaticContact CE1-CZ 4Å; Y193-F241 HydrophobicContact CE1-CZ 4Å; Y193-F241 HydrophobicContact CG-CE2 4.34Å; Y193-A284 HydrophobicContact CE1-CB 4.08Å; Y193-A284 HydrophobicContact CE2-CB 4.45Å; Y193-P290 HydrophobicContact CD2-CG 4.17Å; Y193-P290 HydrophobicContact CE1-CB 4.45Å; Y193-P290 HydrophobicContact CE1-CG 4.37Å; Y193-P290 HydrophobicContact CE2-CG 3.68Å; Y193-L293 HydrophobicContact CE1-CD2 3.98Å; Y193-L293 WeakPolarHBondContact OH-CD2 3.43Å; Y193-L373 HydrophobicContact CD2-CB 3.61Å; Y193-L373 HydrophobicContact CD2-CD1 4.01Å; Y193-L373 HydrophobicContact CD2-CG 4.48Å; Y193-L373 HydrophobicContact CE2-CB 3.54Å; Y193-L373 HydrophobicContact CE2-CD1 3.94Å; Y193-L373 HydrophobicContact CE2-CG 4.38Å; Y193-I374 HydrophobicContact CD2-CG1 3.99Å
194	V	97.7	Very high	96.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.1	-39.5	179.4	178.3	0	0	0	0	111.2	W179 R190 E191 E196 L197 Q198 V203 I239 F241	W179-V194 HydrophobicContact CD2-CG1 4.03Å; W179-V194 HydrophobicContact CD2-CG2 4.21Å; W179-V194 HydrophobicContact CE3-CB 4.15Å; W179-V194 HydrophobicContact CE3-CG1 3.5Å; W179-V194 VanDerWaalsContact CE3-CG1 3.5Å; W179-V194 HydrophobicContact CE3-CG2 4.34Å; W179-V194 HydrophobicContact CH2-CB 4.09Å; W179-V194 HydrophobicContact CH2-CG1 4.31Å; W179-V194 HydrophobicContact CH2-CG2 4.24Å; W179-V194 HydrophobicContact CZ2-CB 4.45Å; W179-V194 HydrophobicContact CZ2-CG2 4.09Å; W179-V194 HydrophobicContact CZ3-CB 3.92Å; W179-V194 HydrophobicContact CZ3-CG1 3.65Å; W179-V194 HydrophobicContact CZ3-CG2 4.35Å; R190-V194 WeakPolarHBondContact O-CG2 3.25Å; R190-V194 PolarHBondContact O-N 2.97Å; E191-V194 PolarHBondContact O-N 3.11Å; V194-E196 VanDerWaalsContact C-N 3.31Å; V194-E196 PolarHBondContact O-N 3.46Å; V194-L197 WeakPolarHBondContact O-CB 3.42Å; V194-L197 PolarHBondContact O-N 3.2Å; V194-L197 VanDerWaalsContact O-N 3.14Å; V194-Q198 HydrophobicContact CG1-CG 4.31Å; V194-Q198 WeakPolarHBondContact O-CG 3.37Å; V194-Q198 PolarHBondContact O-N 3.34Å; V194-V203 HydrophobicContact CG1-CG1 4.47Å; V194-I239 HydrophobicContact CG1-CD1 4.23Å; V194-I239 HydrophobicContact CG2-CD1 4.14Å; V194-I239 HydrophobicContact CG2-CG2 4.16Å; V194-F241 HydrophobicContact CG2-CD2 3.71Å; V194-F241 HydrophobicContact CG2-CE2 3.71Å
195	A	97	Very high	97	Very high	52 Å²	52	49 Å²	49	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-39.2	174.7	0	0	0	0	0	112.3	E191 V192	E191-A195 WeakPolarHBondContact O-CB 3.32Å; E191-A195 PolarHBondContact O-N 2.78Å; V192-A195 PolarHBondContact O-N 3.19Å
196	E	98.1	Very high	96.8	Very high	39 Å²	39	41.4 Å²	41.4	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-69.7	-38.5	173.6	-174.4	60.9	-151.2	0	0	112	V192 Y193 V194 Q198 K199 Y200 P290 I374	V192-E196 PolarHBondContact O-N 2.89Å; V192-E196 VanDerWaalsContact O-N 3.12Å; Y193-E196 PolarHBondContact O-N 3.22Å; V194-E196 VanDerWaalsContact C-N 3.31Å; V194-E196 PolarHBondContact O-N 3.46Å; E196-Q198 VanDerWaalsContact C-N 3.33Å; E196-Q198 PolarHBondContact O-N 3.29Å; E196-K199 WeakPolarHBondContact O-CB 3.11Å; E196-K199 PolarHBondContact O-N 3.19Å; E196-K199 IonicContact OE1-NZ 3.71Å; E196-K199 VanDerWaalsContact OE2-CE 3.31Å; E196-K199 WeakPolarHBondContact OE2-CE 3.37Å; E196-K199 IonicContact OE2-NZ 2.91Å; E196-K199 PolarHBondContact OE2-NZ 3.41Å; E196-Y200 HydrophobicContact CG-CE2 4.44Å; E196-Y200 WeakPolarHBondContact O-CD2 3.35Å; E196-Y200 VanDerWaalsContact O-CE2 3.27Å; E196-Y200 WeakPolarHBondContact O-CE2 3.41Å; E196-Y200 PolarHBondContact OE1-OH 3.5Å; E196-P290 HydrophobicContact CB-CG 4.18Å; E196-P290 HydrophobicContact CG-CB 4.13Å; E196-P290 HydrophobicContact CG-CG 3.72Å; E196-I374 HydrophobicContact CB-CD1 3.84Å; E196-I374 HydrophobicContact CB-CG1 4.23Å; E196-I374 HydrophobicContact CG-CD1 4.3Å; E196-I374 HydrophobicContact CG-CG1 4.31Å; E196-I374 HydrophobicContact CG-CG2 4.15Å
197	L	98.3	Very high	96.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-39.6	176.2	-178.3	63	0	0	0	112	Y193 V194 K199 Y200 L201 I239 P290 L293 A294	Y193-L197 WeakPolarHBondContact O-CB 3.27Å; Y193-L197 PolarHBondContact O-N 3.13Å; V194-L197 WeakPolarHBondContact O-CB 3.42Å; V194-L197 PolarHBondContact O-N 3.2Å; V194-L197 VanDerWaalsContact O-N 3.14Å; L197-K199 PolarHBondContact O-N 2.76Å; L197-K199 VanDerWaalsContact O-N 3.11Å; L197-Y200 PolarHBondContact O-N 3.32Å; L197-L201 HydrophobicContact CD1-CD2 4.37Å; L197-L201 HydrophobicContact CD2-CD2 4.49Å; L197-L201 HydrophobicContact CG-CD2 4.41Å; L197-L201 PolarHBondContact O-N 3.22Å; L197-I239 HydrophobicContact CD2-CD1 4.07Å; L197-P290 HydrophobicContact CB-CB 4.16Å; L197-P290 HydrophobicContact CD1-CB 4.14Å; L197-P290 VanDerWaalsContact CD1-O 3.26Å; L197-P290 WeakPolarHBondContact CD1-O 3.34Å; L197-L293 HydrophobicContact CD1-CB 4.48Å; L197-L293 HydrophobicContact CD1-CD2 4.24Å; L197-L293 HydrophobicContact CD1-CG 4.34Å; L197-L293 HydrophobicContact CD2-CD2 4.24Å; L197-A294 HydrophobicContact CD1-CB 4.02Å
198	Q	97.4	Very high	95.7	Very high	83 Å²	83	44.9 Å²	44.9	39%	0.388	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.4	179.9	-80.8	176	-51.2	0	0	113.9	V194 E196 Y200 L201 V203	V194-Q198 HydrophobicContact CG1-CG 4.31Å; V194-Q198 WeakPolarHBondContact O-CG 3.37Å; V194-Q198 PolarHBondContact O-N 3.34Å; E196-Q198 VanDerWaalsContact C-N 3.33Å; E196-Q198 PolarHBondContact O-N 3.29Å; Q198-Y200 PolarHBondContact O-N 2.74Å; Q198-L201 WeakPolarHBondContact CA-O 3.38Å; Q198-V203 HydrophobicContact CG-CB 3.85Å; Q198-V203 HydrophobicContact CG-CG2 4Å; Q198-V203 PolarHBondContact NE2-O 3.31Å
199	K	98.3	Very high	95.1	Very high	140 Å²	140	46.8 Å²	46.8	61%	0.609	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.7	172.4	-61.2	178	-178.1	172.6	0	113.4	E196 L197	E196-K199 WeakPolarHBondContact O-CB 3.11Å; E196-K199 PolarHBondContact O-N 3.19Å; E196-K199 IonicContact OE1-NZ 3.71Å; E196-K199 VanDerWaalsContact OE2-CE 3.31Å; E196-K199 WeakPolarHBondContact OE2-CE 3.37Å; E196-K199 IonicContact OE2-NZ 2.91Å; E196-K199 PolarHBondContact OE2-NZ 3.41Å; L197-K199 PolarHBondContact O-N 2.76Å; L197-K199 VanDerWaalsContact O-N 3.11Å
200	Y	98.3	Very high	94.1	Very high	89 Å²	89	44.7 Å²	44.7	35%	0.349	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-7.3	-173.1	-46.7	-71.2	0	0	0	113.4	E196 L197 Q198 K291	E196-Y200 HydrophobicContact CG-CE2 4.44Å; E196-Y200 WeakPolarHBondContact O-CD2 3.35Å; E196-Y200 VanDerWaalsContact O-CE2 3.27Å; E196-Y200 WeakPolarHBondContact O-CE2 3.41Å; E196-Y200 PolarHBondContact OE1-OH 3.5Å; L197-Y200 PolarHBondContact O-N 3.32Å; Q198-Y200 PolarHBondContact O-N 2.74Å; Y200-K291 HydrophobicContact CD1-CB 3.99Å; Y200-K291 HydrophobicContact CD1-CD 3.84Å; Y200-K291 HydrophobicContact CD1-CG 3.68Å; Y200-K291 HydrophobicContact CD2-CB 3.81Å; Y200-K291 HydrophobicContact CD2-CG 4.38Å; Y200-K291 HydrophobicContact CE1-CB 4.05Å; Y200-K291 HydrophobicContact CE1-CD 3.68Å; Y200-K291 HydrophobicContact CE1-CG 3.95Å; Y200-K291 HydrophobicContact CE2-CB 3.89Å; Y200-K291 HydrophobicContact CG-CB 3.86Å; Y200-K291 HydrophobicContact CG-CG 3.91Å
201	L	97.3	Very high	93.2	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	28%	0.276	C	S	.	.	S	Bend	trans	-154.1	132.1	-172.3	-174.8	68.3	0	0	0	110.8	K176 V177 L197 Q198 V203 A294 I297	K176-L201 HydrophobicContact CD-CD1 4.1Å; V177-L201 HydrophobicContact CG2-CD2 3.6Å; V177-L201 HydrophobicContact CG2-CG 4.2Å; L197-L201 HydrophobicContact CD1-CD2 4.37Å; L197-L201 HydrophobicContact CD2-CD2 4.49Å; L197-L201 HydrophobicContact CG-CD2 4.41Å; L197-L201 PolarHBondContact O-N 3.22Å; Q198-L201 WeakPolarHBondContact CA-O 3.38Å; L201-V203 HydrophobicContact CD2-CG2 4.44Å; L201-V203 HydrophobicContact CG-CG2 4.49Å; L201-V203 PolarHBondContact O-N 3.45Å; L201-A294 HydrophobicContact CB-CB 3.89Å; L201-I297 HydrophobicContact CD1-CG2 4.13Å; L201-I297 HydrophobicContact CD2-CB 4.23Å; L201-I297 HydrophobicContact CD2-CD1 3.52Å; L201-I297 HydrophobicContact CD2-CG1 4.48Å; L201-I297 HydrophobicContact CD2-CG2 4.05Å
202	D	95.7	Very high	92.3	Very high	128 Å²	128	51.4 Å²	51.4	68%	0.684	28%	0.284	S	S	*	.			trans	-68.5	118.3	173	-58.2	-38.3	0	0	0	110.3
203	V	96.7	Very high	91.2	Very high	12 Å²	12	55.6 Å²	55.6	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	111	177.7	-179.3	0	0	0	0	109.1	V177 W179 V194 Q198 L201 S205 I239	V177-V203 HydrophobicContact CB-CG2 4.27Å; V177-V203 HydrophobicContact CG1-CG1 4.17Å; V177-V203 HydrophobicContact CG1-CG2 4.22Å; W179-V203 HydrophobicContact CB-CG1 3.82Å; V194-V203 HydrophobicContact CG1-CG1 4.47Å; Q198-V203 HydrophobicContact CG-CB 3.85Å; Q198-V203 HydrophobicContact CG-CG2 4Å; Q198-V203 PolarHBondContact NE2-O 3.31Å; L201-V203 HydrophobicContact CD2-CG2 4.44Å; L201-V203 HydrophobicContact CG-CG2 4.49Å; L201-V203 PolarHBondContact O-N 3.45Å; V203-S205 PolarHBondContact O-N 3.4Å; V203-I239 HydrophobicContact CG1-CD1 3.87Å; V203-I239 HydrophobicContact CG2-CD1 4.31Å
204	D	95.2	Very high	90	Very high	53 Å²	53	56.1 Å²	56.1	28%	0.283	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	120.7	174.3	-71.8	-9.2	0	0	0	109.3	K175 V177 V178 W179 Y206 Y235	K175-D204 WeakPolarHBondContact CD-OD2 3.23Å; K175-D204 IonicContact NZ-OD2 2.8Å; K175-D204 PolarHBondContact NZ-OD2 3.47Å; V177-D204 PolarHBondContact O-N 3.39Å; V177-D204 VanDerWaalsContact O-N 3.09Å; V178-D204 CarbonylContact C-O 3.46Å; V178-D204 WeakPolarHBondContact CA-O 3.48Å; W179-D204 PolarHBondContact N-O 3.39Å; D204-Y206 HydrophobicContact CB-CE2 3.97Å; D204-Y235 HydrophobicContact CB-CE1 3.72Å; D204-Y235 VanDerWaalsContact CB-OH 3.28Å; D204-Y235 WeakPolarHBondContact CB-OH 3.08Å; D204-Y235 VanDerWaalsContact CG-OH 3.31Å; D204-Y235 VanDerWaalsContact OD2-CE1 3.26Å; D204-Y235 WeakPolarHBondContact OD2-CE1 3.41Å; D204-Y235 VanDerWaalsContact OD2-CZ 3.27Å; D204-Y235 PolarHBondContact OD2-OH 3.15Å
205	S	93.1	Very high	88.3	Confident	13 Å²	13	60.8 Å²	60.8	9%	0.091	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.4	-175.4	-59.7	0	0	0	0	111.6	W179 V203 G210 T211	W179-S205 CarbonylContact O-C 3.55Å; W179-S205 VanDerWaalsContact O-CA 3.31Å; W179-S205 WeakPolarHBondContact O-CA 3.24Å; V203-S205 PolarHBondContact O-N 3.4Å; S205-G210 WeakPolarHBondContact O-CA 3.42Å; S205-T211 PolarHBondContact O-N 3.36Å
206	Y	90.9	Very high	86.3	Confident	32 Å²	32	65.2 Å²	65.2	13%	0.125	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	157.3	179.2	-66.5	-103.6	0	0	0	111.2	V178 W179 V180 V181 D204 S212 C214 F231 Y235	V178-Y206 HydrophobicContact CG2-CD2 3.56Å; V178-Y206 HydrophobicContact CG2-CE2 3.68Å; W179-Y206 PolarHBondContact O-N 2.68Å; V180-Y206 WeakPolarHBondContact CA-O 3.44Å; V181-Y206 PolarHBondContact N-O 3.15Å; D204-Y206 HydrophobicContact CB-CE2 3.97Å; Y206-S212 WeakPolarHBondContact CA-O 3.46Å; Y206-C214 HydrophobicContact CD1-CB 4.4Å; Y206-F231 AromaticContact CD1-CE1 3.93Å; Y206-F231 HydrophobicContact CD1-CE1 3.93Å; Y206-F231 HydrophobicContact CD1-CZ 4.09Å; Y206-F231 AromaticContact CD2-CE1 3.62Å; Y206-F231 HydrophobicContact CD2-CE1 3.62Å; Y206-F231 HydrophobicContact CD2-CZ 4.07Å; Y206-F231 AromaticContact CE1-CE1 3.97Å; Y206-F231 HydrophobicContact CE1-CE1 3.97Å; Y206-F231 HydrophobicContact CE2-CD1 4.41Å; Y206-F231 AromaticContact CE2-CE1 3.66Å; Y206-F231 HydrophobicContact CE2-CE1 3.66Å; Y206-F231 AromaticContact CG-CE1 3.76Å; Y206-F231 HydrophobicContact CG-CE1 3.76Å; Y206-F231 AromaticContact CG-CZ 3.83Å; Y206-F231 HydrophobicContact CG-CZ 3.83Å; Y206-F231 AromaticContact CZ-CE1 3.84Å; Y206-Y235 WeakPolarHBondContact CE2-OH 3.29Å; Y206-Y235 PolarHBondContact OH-OH 3.09Å
207	G	86.7	Confident	84	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.01	36%	0.363	C	S	.	.	S	Bend	trans	96	-170.3	-179.4	0	0	0	0	0	112.1	V181 N182 C209 G210 S212	V181-G207 CarbonylContact O-C 3.52Å; V181-G207 WeakPolarHBondContact O-CA 3.5Å; N182-G207 WeakPolarHBondContact OD1-CA 3.48Å; G207-C209 PolarHBondContact O-N 2.9Å; G207-G210 PolarHBondContact O-N 2.81Å; G207-S212 PolarHBondContact N-O 3.11Å
208	N	84.9	Confident	81.6	Confident	122 Å²	122	71.4 Å²	71.4	65%	0.652	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21	-171.2	-63.9	-3.5	0	0	0	114.5	V181 N182	V181-N208 PolarHBondContact O-N 2.9Å; V181-N208 VanDerWaalsContact O-N 3.12Å; N182-N208 PolarHBondContact OD1-N 3.3Å
209	C	84.5	Confident	79.3	Confident	40 Å²	40	69.2 Å²	69.2	27%	0.27	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-1.6	178.7	-34.7	0	0	0	0	112.7	V181 F183 C184 G207	V181-C209 HydrophobicContact CG1-CB 3.76Å; V181-C209 HydrophobicContact CG2-CB 4.27Å; V181-C209 PolarHBondContact O-N 3.28Å; F183-C209 VanDerWaalsContact C-SG 3.59Å; C184-C209 WeakPolarHBondContact CA-SG 3.49Å; C184-C209 HydrophobicContact CB-CB 3.77Å; C184-C209 WeakPolarHBondContact CB-SG 3.38Å; C184-C209 PolarHBondContact N-SG 2.74Å; C184-C209 VanDerWaalsContact SG-CA 3.55Å; C184-C209 WeakPolarHBondContact SG-CB 3.32Å; C184-C209 CovalentContact SG-SG 2.02Å; C184-C209 PolarHBondContact SG-SG 3.43Å; G207-C209 PolarHBondContact O-N 2.9Å
210	G	77.3	Confident	76.8	Confident	23 Å²	23	67.1 Å²	67.1	24%	0.237	40%	0.396	C	S	.	.	S	Bend	trans	-97.5	179.2	-180	0	0	0	0	0	112.7	S205 G207	S205-G210 WeakPolarHBondContact O-CA 3.42Å; G207-G210 PolarHBondContact O-N 2.81Å
211	T	78.1	Confident	74.2	Confident	137 Å²	137	63.9 Å²	63.9	84%	0.84	39%	0.391	S	S	*	.	S	Bend	trans	-85.9	-19.3	176	54.4	0	0	0	0	112.6	S205	S205-T211 PolarHBondContact O-N 3.36Å
212	S	77.9	Confident	72.1	Confident	50 Å²	50	64.7 Å²	64.7	35%	0.35	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-116.9	132.6	-176.8	-62.7	0	0	0	0	111.2	Y206 G207 C214	Y206-S212 WeakPolarHBondContact CA-O 3.46Å; G207-S212 PolarHBondContact N-O 3.11Å; S212-C214 PolarHBondContact O-N 3.32Å
213	N	73.4	Confident	70.3	Confident	146 Å²	146	63.7 Å²	63.7	78%	0.781	39%	0.385	S	S	*	.			trans	-70.5	128.5	177	-77.7	-18.2	0	0	0	110.7
214	C	74.1	Confident	68.7	Low	13 Å²	13	70.9 Å²	70.9	9%	0.088	42%	0.418	C	S	.	.			trans	-131.9	99.6	161.3	-174.1	0	0	0	0	107.9	Y206 S212 K216 C227	Y206-C214 HydrophobicContact CD1-CB 4.4Å; S212-C214 PolarHBondContact O-N 3.32Å; C214-K216 PolarHBondContact O-N 2.59Å; C214-C227 VanDerWaalsContact CA-SG 3.52Å; C214-C227 HydrophobicContact CB-CB 4.16Å; C214-C227 WeakPolarHBondContact CB-SG 3.24Å; C214-C227 WeakPolarHBondContact SG-CB 3.44Å; C214-C227 CovalentContact SG-SG 2.03Å; C214-C227 PolarHBondContact SG-SG 3.24Å
215	S	62.2	Low	67.8	Low	98 Å²	98	68.6 Å²	68.6	69%	0.685	41%	0.407	S	S	*	.			trans	-65.2	133.2	177.4	-59.4	0	0	0	0	109.3	I217	S215-I217 PolarHBondContact O-N 2.85Å
216	K	53.3	Low	67.3	Low	145 Å²	145	73.3 Å²	73.3	63%	0.63	44%	0.435	S	S	*	.			trans	-58.8	109.9	166	-86.2	-177.3	173.9	-169.6	0	107.6	N182 C214	N182-K216 WeakPolarHBondContact ND2-CG 3.3Å; C214-K216 PolarHBondContact O-N 2.59Å
217	I	50.6	Low	67.2	Low	86 Å²	86	72.6 Å²	72.6	44%	0.441	44%	0.435	S	S	.	.			trans	-76.6	136.4	159.6	-55.2	-175.1	0	0	0	105.9	S215 T219	S215-I217 PolarHBondContact O-N 2.85Å; I217-T219 PolarHBondContact O-N 2.86Å
218	A	47.1	Very low	67.2	Low	83 Å²	83	73.1 Å²	73.1	69%	0.686	44%	0.436	S	S	*	.			trans	-44.6	135.8	-178.7	0	0	0	0	0	111.5	A220 G221	A218-A220 VanDerWaalsContact C-N 3.26Å; A218-A220 PolarHBondContact O-N 3.28Å; A218-G221 PolarHBondContact O-N 3.18Å
219	T	49.3	Very low	67.4	Low	36 Å²	36	71.6 Å²	71.6	22%	0.221	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-50.1	-30.7	-153.2	-11.7	0	0	0	0	116	D55 I217 G221 M222 F322	D55-T219 PolarHBondContact O-OG1 3.15Å; I217-T219 PolarHBondContact O-N 2.86Å; T219-G221 VanDerWaalsContact C-N 3.32Å; T219-G221 PolarHBondContact O-N 3.14Å; T219-M222 HydrophobicContact CG2-CE 3.39Å; T219-F322 HydrophobicContact CG2-CD1 3.52Å; T219-F322 HydrophobicContact CG2-CE1 3.63Å
220	A	45.3	Very low	67.7	Low	96 Å²	96	72.2 Å²	72.2	79%	0.793	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-69.9	-26.1	178.9	0	0	0	0	0	113.6	A218	A218-A220 VanDerWaalsContact C-N 3.26Å; A218-A220 PolarHBondContact O-N 3.28Å
221	G	45.4	Very low	68.4	Low	22 Å²	22	71.1 Å²	71.1	23%	0.227	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-103	3	-176.9	0	0	0	0	0	114.7	A218 T219 Q223 Q224 S225	A218-G221 PolarHBondContact O-N 3.18Å; T219-G221 VanDerWaalsContact C-N 3.32Å; T219-G221 PolarHBondContact O-N 3.14Å; G221-Q223 PolarHBondContact O-N 2.99Å; G221-Q223 VanDerWaalsContact O-N 3.16Å; G221-Q224 PolarHBondContact O-N 3.07Å; G221-S225 PolarHBondContact O-N 2.97Å
222	M	52.9	Low	69.1	Low	23 Å²	23	69.7 Å²	69.7	11%	0.113	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-55.3	-40.6	-172.2	-113.7	-168.2	-74.2	0	0	112.3	T219 Q224 S225 E228	T219-M222 HydrophobicContact CG2-CE 3.39Å; M222-Q224 PolarHBondContact O-N 3.49Å; M222-Q224 VanDerWaalsContact O-N 3.11Å; M222-S225 WeakPolarHBondContact O-CB 3.33Å; M222-S225 PolarHBondContact O-N 2.93Å; M222-S225 PolarHBondContact O-OG 3.02Å; M222-E228 WeakPolarHBondContact O-CB 3.38Å; M222-E228 WeakPolarHBondContact O-CG 3.49Å
223	Q	58	Low	69.8	Low	106 Å²	106	73.3 Å²	73.3	50%	0.495	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-60.7	-20.8	178.6	-69.4	-171.2	-19.1	0	0	114	G221 N256	G221-Q223 PolarHBondContact O-N 2.99Å; G221-Q223 VanDerWaalsContact O-N 3.16Å; Q223-N256 PolarHBondContact NE2-O 3.37Å
224	Q	62.9	Low	70.9	Confident	164 Å²	164	68.6 Å²	68.6	77%	0.766	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-100.8	5	178.2	-63	178.2	-5.7	0	0	112.7	G221 M222	G221-Q224 PolarHBondContact O-N 3.07Å; M222-Q224 PolarHBondContact O-N 3.49Å; M222-Q224 VanDerWaalsContact O-N 3.11Å
225	S	76.4	Confident	71.9	Confident	5 Å²	5	68 Å²	68	4%	0.035	38%	0.379	C	S	.	.	S	Bend	trans	-70.2	146.7	173.8	71.7	0	0	0	0	110.8	G221 M222 C227 E228 E229	G221-S225 PolarHBondContact O-N 2.97Å; M222-S225 WeakPolarHBondContact O-CB 3.33Å; M222-S225 PolarHBondContact O-N 2.93Å; M222-S225 PolarHBondContact O-OG 3.02Å; S225-C227 PolarHBondContact O-N 3.08Å; S225-C227 VanDerWaalsContact O-N 3.17Å; S225-E228 PolarHBondContact O-N 3.19Å; S225-E228 VanDerWaalsContact O-N 3.07Å; S225-E228 WeakPolarHBondContact OG-CG 3.42Å; S225-E228 PolarHBondContact OG-N 3.09Å; S225-E228 VanDerWaalsContact OG-N 3.14Å; S225-E229 PolarHBondContact O-N 2.95Å; S225-E229 VanDerWaalsContact O-N 3.1Å
226	T	82.9	Confident	73.6	Confident	111 Å²	111	64.1 Å²	64.1	68%	0.681	35%	0.35	S	S	*	.	H	α-helix	trans	-55.5	-32.5	174.2	50.3	0	0	0	0	112.1	T230	T226-T230 WeakPolarHBondContact O-CB 3.39Å; T226-T230 PolarHBondContact O-N 3.07Å; T226-T230 PolarHBondContact O-OG1 2.88Å
227	C	87.9	Confident	75.7	Confident	18 Å²	18	57.2 Å²	57.2	12%	0.122	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-51.8	172.9	-61.5	0	0	0	0	112.7	C214 S225 E229 T230 F231	C214-C227 VanDerWaalsContact CA-SG 3.52Å; C214-C227 HydrophobicContact CB-CB 4.16Å; C214-C227 WeakPolarHBondContact CB-SG 3.24Å; C214-C227 WeakPolarHBondContact SG-CB 3.44Å; C214-C227 CovalentContact SG-SG 2.03Å; C214-C227 PolarHBondContact SG-SG 3.24Å; S225-C227 PolarHBondContact O-N 3.08Å; S225-C227 VanDerWaalsContact O-N 3.17Å; C227-E229 VanDerWaalsContact C-N 3.28Å; C227-E229 PolarHBondContact O-N 3.23Å; C227-T230 CarbonylContact O-C 3.57Å; C227-T230 WeakPolarHBondContact O-CA 3.37Å; C227-T230 VanDerWaalsContact O-CB 3.26Å; C227-T230 WeakPolarHBondContact O-CB 3.24Å; C227-T230 PolarHBondContact O-N 3.02Å; C227-F231 HydrophobicContact CB-CD2 4.48Å; C227-F231 HydrophobicContact CB-CE1 4.41Å; C227-F231 HydrophobicContact CB-CE2 3.7Å; C227-F231 HydrophobicContact CB-CZ 3.68Å; C227-F231 WeakPolarHBondContact O-CD1 3.49Å; C227-F231 VanDerWaalsContact O-CD2 3.29Å; C227-F231 WeakPolarHBondContact O-CD2 3.46Å; C227-F231 WeakPolarHBondContact O-CG 3.13Å; C227-F231 PolarHBondContact O-N 3.31Å
228	E	87.7	Confident	78	Confident	11 Å²	11	53.4 Å²	53.4	5%	0.051	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-36.8	-177.2	-72.7	-49.7	134.6	0	0	111.8	M222 S225 T230 F231 K232 R257	M222-E228 WeakPolarHBondContact O-CB 3.38Å; M222-E228 WeakPolarHBondContact O-CG 3.49Å; S225-E228 PolarHBondContact O-N 3.19Å; S225-E228 VanDerWaalsContact O-N 3.07Å; S225-E228 WeakPolarHBondContact OG-CG 3.42Å; S225-E228 PolarHBondContact OG-N 3.09Å; S225-E228 VanDerWaalsContact OG-N 3.14Å; E228-T230 VanDerWaalsContact C-N 3.34Å; E228-F231 PolarHBondContact O-N 3.11Å; E228-F231 WeakPolarHBondContact OE1-CD2 3.3Å; E228-F231 WeakPolarHBondContact OE1-CE2 3.45Å; E228-K232 VanDerWaalsContact O-CB 3.29Å; E228-K232 WeakPolarHBondContact O-CB 3.27Å; E228-K232 PolarHBondContact O-N 3.42Å; E228-R257 VanDerWaalsContact CD-NE 3.29Å; E228-R257 IonicContact OE1-CZ 2.59Å; E228-R257 IonicContact OE1-NE 3.99Å; E228-R257 PolarHBondContact OE1-NE 2.85Å; E228-R257 IonicContact OE1-NH2 3.79Å; E228-R257 PolarHBondContact OE1-NH2 3.26Å; E228-R257 WeakPolarHBondContact OE2-CD 3.37Å; E228-R257 WeakPolarHBondContact OE2-CG 3.44Å; E228-R257 IonicContact OE2-CZ 3.16Å; E228-R257 IonicContact OE2-NE 2.96Å; E228-R257 PolarHBondContact OE2-NE 3.48Å; E228-R257 IonicContact OE2-NH2 2.63Å
229	E	89.1	Confident	80.4	Confident	90 Å²	90	49.4 Å²	49.4	42%	0.421	27%	0.267	S	S	.	.	H	α-helix	trans	-60.8	-44.3	169.9	-72.5	-163.5	-165.5	0	0	112.2	S225 C227 F231 K232 K233	S225-E229 PolarHBondContact O-N 2.95Å; S225-E229 VanDerWaalsContact O-N 3.1Å; C227-E229 VanDerWaalsContact C-N 3.28Å; C227-E229 PolarHBondContact O-N 3.23Å; E229-F231 VanDerWaalsContact C-N 3.3Å; E229-F231 PolarHBondContact O-N 3.43Å; E229-K232 PolarHBondContact O-N 3Å; E229-K233 VanDerWaalsContact O-CB 3.32Å; E229-K233 WeakPolarHBondContact O-CB 3.19Å; E229-K233 WeakPolarHBondContact O-CD 3.49Å; E229-K233 VanDerWaalsContact O-CG 3.24Å; E229-K233 WeakPolarHBondContact O-CG 3.27Å; E229-K233 PolarHBondContact O-N 3.29Å; E229-K233 IonicContact OE2-NZ 2.88Å; E229-K233 PolarHBondContact OE2-NZ 3.1Å
230	T	90.7	Very high	82.7	Confident	53 Å²	53	47.7 Å²	47.7	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-42.8	176.1	-61.9	0	0	0	0	110.6	T226 C227 E228 K233 N234	T226-T230 WeakPolarHBondContact O-CB 3.39Å; T226-T230 PolarHBondContact O-N 3.07Å; T226-T230 PolarHBondContact O-OG1 2.88Å; C227-T230 CarbonylContact O-C 3.57Å; C227-T230 WeakPolarHBondContact O-CA 3.37Å; C227-T230 VanDerWaalsContact O-CB 3.26Å; C227-T230 WeakPolarHBondContact O-CB 3.24Å; C227-T230 PolarHBondContact O-N 3.02Å; E228-T230 VanDerWaalsContact C-N 3.34Å; T230-K233 PolarHBondContact O-N 3.47Å; T230-N234 WeakPolarHBondContact CG2-ND2 3.24Å; T230-N234 VanDerWaalsContact O-CB 3.25Å; T230-N234 WeakPolarHBondContact O-CB 3.26Å; T230-N234 PolarHBondContact O-N 3.21Å; T230-N234 PolarHBondContact O-ND2 3.33Å
231	F	92.5	Very high	85.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-49.7	179.7	-54.6	-28.4	0	0	0	111.3	V178 V180 Y206 C227 E228 E229 K233 N234 Y235 M262	V178-F231 HydrophobicContact CG1-CB 4.49Å; V178-F231 HydrophobicContact CG2-CD1 3.85Å; V178-F231 HydrophobicContact CG2-CE1 3.91Å; V178-F231 HydrophobicContact CG2-CG 4.49Å; V180-F231 HydrophobicContact CG1-CE2 4.46Å; V180-F231 HydrophobicContact CG2-CD2 4.02Å; V180-F231 HydrophobicContact CG2-CE1 4.37Å; V180-F231 HydrophobicContact CG2-CE2 3.39Å; V180-F231 HydrophobicContact CG2-CZ 3.59Å; Y206-F231 AromaticContact CD1-CE1 3.93Å; Y206-F231 HydrophobicContact CD1-CE1 3.93Å; Y206-F231 HydrophobicContact CD1-CZ 4.09Å; Y206-F231 AromaticContact CD2-CE1 3.62Å; Y206-F231 HydrophobicContact CD2-CE1 3.62Å; Y206-F231 HydrophobicContact CD2-CZ 4.07Å; Y206-F231 AromaticContact CE1-CE1 3.97Å; Y206-F231 HydrophobicContact CE1-CE1 3.97Å; Y206-F231 HydrophobicContact CE2-CD1 4.41Å; Y206-F231 AromaticContact CE2-CE1 3.66Å; Y206-F231 HydrophobicContact CE2-CE1 3.66Å; Y206-F231 AromaticContact CG-CE1 3.76Å; Y206-F231 HydrophobicContact CG-CE1 3.76Å; Y206-F231 AromaticContact CG-CZ 3.83Å; Y206-F231 HydrophobicContact CG-CZ 3.83Å; Y206-F231 AromaticContact CZ-CE1 3.84Å; C227-F231 HydrophobicContact CB-CD2 4.48Å; C227-F231 HydrophobicContact CB-CE1 4.41Å; C227-F231 HydrophobicContact CB-CE2 3.7Å; C227-F231 HydrophobicContact CB-CZ 3.68Å; C227-F231 WeakPolarHBondContact O-CD1 3.49Å; C227-F231 VanDerWaalsContact O-CD2 3.29Å; C227-F231 WeakPolarHBondContact O-CD2 3.46Å; C227-F231 WeakPolarHBondContact O-CG 3.13Å; C227-F231 PolarHBondContact O-N 3.31Å; E228-F231 PolarHBondContact O-N 3.11Å; E228-F231 WeakPolarHBondContact OE1-CD2 3.3Å; E228-F231 WeakPolarHBondContact OE1-CE2 3.45Å; E229-F231 VanDerWaalsContact C-N 3.3Å; E229-F231 PolarHBondContact O-N 3.43Å; F231-K233 VanDerWaalsContact C-N 3.31Å; F231-K233 PolarHBondContact O-N 2.57Å; F231-N234 PolarHBondContact O-N 3.38Å; F231-Y235 HydrophobicContact CD1-CD2 4.35Å; F231-Y235 HydrophobicContact CD1-CE2 4.08Å; F231-Y235 PolarHBondContact O-N 3.28Å; F231-M262 HydrophobicContact CB-CE 3.93Å; F231-M262 HydrophobicContact CB-SD 4.06Å
232	K	92.3	Very high	87.6	Confident	108 Å²	108	42.2 Å²	42.2	47%	0.47	21%	0.209	S	C	.	.	H	α-helix	trans	-58.1	-40.7	177.4	-179	175.4	179.4	-179.7	0	112.3	K173 E228 E229	K173-K232 PolarHBondContact NZ-O 2.92Å; E228-K232 VanDerWaalsContact O-CB 3.29Å; E228-K232 WeakPolarHBondContact O-CB 3.27Å; E228-K232 PolarHBondContact O-N 3.42Å; E229-K232 PolarHBondContact O-N 3Å
233	K	92.9	Very high	89.7	Confident	125 Å²	125	42 Å²	42	54%	0.543	21%	0.208	S	C	.	.	H	α-helix	trans	-74.9	-37	-179.8	-72.2	166.4	179.6	163.9	0	112.2	E229 T230 F231	E229-K233 VanDerWaalsContact O-CB 3.32Å; E229-K233 WeakPolarHBondContact O-CB 3.19Å; E229-K233 WeakPolarHBondContact O-CD 3.49Å; E229-K233 VanDerWaalsContact O-CG 3.24Å; E229-K233 WeakPolarHBondContact O-CG 3.27Å; E229-K233 PolarHBondContact O-N 3.29Å; E229-K233 IonicContact OE2-NZ 2.88Å; E229-K233 PolarHBondContact OE2-NZ 3.1Å; T230-K233 PolarHBondContact O-N 3.47Å; F231-K233 VanDerWaalsContact C-N 3.31Å; F231-K233 PolarHBondContact O-N 2.57Å
234	N	94.9	Very high	91.6	Very high	47 Å²	47	37 Å²	37	25%	0.251	19%	0.185	S	C	.	.	H	α-helix	trans	-103.3	-31.1	-164.4	-65.8	-59.8	0	0	0	116.1	K173 P174 K175 T230 F231	K173-N234 CarbonylContact C-O 3.51Å; P174-N234 WeakPolarHBondContact CD-O 3.45Å; K175-N234 WeakPolarHBondContact CA-O 3.15Å; K175-N234 WeakPolarHBondContact CB-O 3.41Å; K175-N234 HydrophobicContact CD-CB 4.3Å; K175-N234 HydrophobicContact CG-CB 4.47Å; K175-N234 PolarHBondContact N-O 3.15Å; T230-N234 WeakPolarHBondContact CG2-ND2 3.24Å; T230-N234 VanDerWaalsContact O-CB 3.25Å; T230-N234 WeakPolarHBondContact O-CB 3.26Å; T230-N234 PolarHBondContact O-N 3.21Å; T230-N234 PolarHBondContact O-ND2 3.33Å; F231-N234 PolarHBondContact O-N 3.38Å
235	Y	96.8	Very high	93.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	147.4	-166.7	-61.8	-93.6	0	0	0	113.2	K173 K175 V177 V178 D204 Y206 F231 M262	K173-Y235 VanDerWaalsContact CD-O 3.24Å; K173-Y235 WeakPolarHBondContact CD-O 3.38Å; K173-Y235 PolarHBondContact NZ-O 3.37Å; K175-Y235 HydrophobicContact CB-CD1 3.49Å; K175-Y235 VanDerWaalsContact CB-CD1 3.49Å; K175-Y235 HydrophobicContact CB-CE1 3.59Å; K175-Y235 HydrophobicContact CB-CG 4.1Å; K175-Y235 HydrophobicContact CD-CD1 4.21Å; K175-Y235 HydrophobicContact CD-CE1 3.48Å; K175-Y235 VanDerWaalsContact CD-CE1 3.48Å; K175-Y235 HydrophobicContact CD-CE2 4.1Å; K175-Y235 VanDerWaalsContact CD-CZ 3.43Å; K175-Y235 WeakPolarHBondContact CD-OH 3.43Å; K175-Y235 HydrophobicContact CG-CE1 4.2Å; K175-Y235 PolarHBondContact NZ-OH 2.68Å; K175-Y235 WeakPolarHBondContact O-CA 3.49Å; V177-Y235 VanDerWaalsContact C-CD1 3.49Å; V177-Y235 WeakPolarHBondContact O-CE1 3.29Å; V178-Y235 HydrophobicContact CB-CD1 3.57Å; V178-Y235 HydrophobicContact CB-CD2 3.9Å; V178-Y235 HydrophobicContact CB-CE1 3.73Å; V178-Y235 HydrophobicContact CB-CE2 4.04Å; V178-Y235 HydrophobicContact CB-CG 3.63Å; V178-Y235 HydrophobicContact CG1-CD1 4.12Å; V178-Y235 HydrophobicContact CG1-CD2 3.97Å; V178-Y235 HydrophobicContact CG1-CG 3.71Å; V178-Y235 HydrophobicContact CG2-CD2 4.44Å; V178-Y235 HydrophobicContact CG2-CE1 4.36Å; V178-Y235 HydrophobicContact CG2-CE2 4.18Å; D204-Y235 HydrophobicContact CB-CE1 3.72Å; D204-Y235 VanDerWaalsContact CB-OH 3.28Å; D204-Y235 WeakPolarHBondContact CB-OH 3.08Å; D204-Y235 VanDerWaalsContact CG-OH 3.31Å; D204-Y235 VanDerWaalsContact OD2-CE1 3.26Å; D204-Y235 WeakPolarHBondContact OD2-CE1 3.41Å; D204-Y235 VanDerWaalsContact OD2-CZ 3.27Å; D204-Y235 PolarHBondContact OD2-OH 3.15Å; Y206-Y235 WeakPolarHBondContact CE2-OH 3.29Å; Y206-Y235 PolarHBondContact OH-OH 3.09Å; F231-Y235 HydrophobicContact CD1-CD2 4.35Å; F231-Y235 HydrophobicContact CD1-CE2 4.08Å; F231-Y235 PolarHBondContact O-N 3.28Å; Y235-M262 WeakPolarHBondContact O-CG 3.25Å
236	K	97.2	Very high	94.3	Very high	17 Å²	17	29.2 Å²	29.2	7%	0.074	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-32.3	175.1	-69.2	-178	-175.3	174.5	0	113.2	A170 K173 K175 K176 M262 V263 N301 Y307	A170-K236 WeakPolarHBondContact O-CE 3.25Å; K173-K236 HydrophobicContact CB-CG 3.75Å; K173-K236 HydrophobicContact CD-CG 4.23Å; K173-K236 VanDerWaalsContact O-CE 3.23Å; K173-K236 WeakPolarHBondContact O-CE 3.21Å; K175-K236 PolarHBondContact O-N 3Å; K175-K236 VanDerWaalsContact O-N 3.1Å; K176-K236 PolarHBondContact O-N 3Å; K176-K236 VanDerWaalsContact O-N 3.14Å; K236-M262 CarbonylContact O-C 3.42Å; K236-M262 VanDerWaalsContact O-CA 3.31Å; K236-M262 WeakPolarHBondContact O-CA 3.33Å; K236-V263 PolarHBondContact O-N 2.97Å; K236-N301 WeakPolarHBondContact CD-OD1 3.45Å; K236-N301 PolarHBondContact NZ-O 3.23Å; K236-N301 PolarHBondContact NZ-OD1 3.41Å; K236-Y307 VanDerWaalsContact CA-OH 3.26Å; K236-Y307 WeakPolarHBondContact CA-OH 2.96Å; K236-Y307 HydrophobicContact CB-CE2 3.77Å; K236-Y307 HydrophobicContact CG-CE1 4.3Å; K236-Y307 HydrophobicContact CG-CE2 4.39Å; K236-Y307 WeakPolarHBondContact O-CE2 3.24Å; K236-Y307 PolarHBondContact O-OH 3.16Å
237	F	98	Very high	95	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.1	-176.5	-50.7	-88.9	0	0	0	110.7	K176 V177 V178 V263 I265 I282 I297 L300 N301 Y307	K176-F237 WeakPolarHBondContact O-CD2 3.5Å; K176-F237 PolarHBondContact O-N 3.46Å; V177-F237 WeakPolarHBondContact CA-O 3.46Å; V177-F237 HydrophobicContact CG1-CB 4.47Å; V177-F237 HydrophobicContact CG2-CB 4.05Å; V177-F237 HydrophobicContact CG2-CD2 4.34Å; V178-F237 PolarHBondContact N-O 3.45Å; F237-V263 WeakPolarHBondContact CA-O 3.22Å; F237-V263 HydrophobicContact CD1-CB 3.82Å; F237-V263 HydrophobicContact CD1-CG1 4.36Å; F237-V263 HydrophobicContact CE1-CB 4.19Å; F237-I265 HydrophobicContact CB-CD1 3.91Å; F237-I265 HydrophobicContact CB-CG1 4.47Å; F237-I282 HydrophobicContact CD1-CD1 4.04Å; F237-I282 HydrophobicContact CE1-CD1 4Å; F237-I297 HydrophobicContact CD2-CG2 3.76Å; F237-I297 HydrophobicContact CE2-CG2 3.77Å; F237-I297 HydrophobicContact CG-CG2 4.24Å; F237-I297 HydrophobicContact CZ-CG2 4.25Å; F237-L300 HydrophobicContact CE1-CB 4.09Å; F237-L300 HydrophobicContact CE1-CD1 3.86Å; F237-L300 HydrophobicContact CZ-CB 3.66Å; F237-L300 HydrophobicContact CZ-CD1 4.3Å; F237-N301 HydrophobicContact CE2-CB 4.45Å; F237-Y307 HydrophobicContact CD1-CE2 4.47Å; F237-Y307 AromaticContact CE1-CD2 3.88Å; F237-Y307 HydrophobicContact CE1-CD2 3.88Å; F237-Y307 AromaticContact CE1-CE2 3.92Å; F237-Y307 HydrophobicContact CE1-CE2 3.92Å; F237-Y307 HydrophobicContact CE2-CE2 4.44Å; F237-Y307 AromaticContact CZ-CD2 3.72Å; F237-Y307 HydrophobicContact CZ-CD2 3.72Å; F237-Y307 AromaticContact CZ-CE2 3.89Å; F237-Y307 HydrophobicContact CZ-CE2 3.89Å
238	Y	97.2	Very high	95.4	Very high	6 Å²	6	26.8 Å²	26.8	2%	0.024	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127	177.2	168.1	-111.3	0	0	0	110.3	V178 V180 A240 K253 R257 V263 P264 I265	V178-Y238 HydrophobicContact CG1-CD2 3.96Å; V178-Y238 WeakPolarHBondContact O-CA 3.29Å; V178-Y238 WeakPolarHBondContact O-CD2 3.49Å; V180-Y238 HydrophobicContact CB-CE2 4.11Å; V180-Y238 HydrophobicContact CG2-CE2 3.93Å; Y238-A240 HydrophobicContact CD1-CB 3.87Å; Y238-A240 HydrophobicContact CE1-CB 3.64Å; Y238-A240 PolarHBondContact O-N 2.83Å; Y238-K253 WeakPolarHBondContact CE1-O 3.35Å; Y238-R257 PolarHBondContact OH-NH1 3.07Å; Y238-V263 PolarHBondContact N-O 3.34Å; Y238-P264 CarbonylContact O-C 3.57Å; Y238-P264 WeakPolarHBondContact O-CA 3.32Å; Y238-I265 PolarHBondContact O-N 2.81Å
239	I	98	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	108.8	174.1	-60.9	-178.9	0	0	0	108.7	V177 V178 W179 V194 L197 V203 F241 I265	V177-I239 HydrophobicContact CG1-CD1 3.88Å; V177-I239 HydrophobicContact CG1-CG1 3.63Å; V178-I239 PolarHBondContact O-N 2.74Å; W179-I239 HydrophobicContact CB-CB 4.08Å; W179-I239 HydrophobicContact CB-CD1 4.25Å; W179-I239 HydrophobicContact CB-CG1 4.49Å; W179-I239 HydrophobicContact CG-CB 4.02Å; W179-I239 HydrophobicContact CG-CD1 4.48Å; W179-I239 HydrophobicContact CG-CG2 4.21Å; V194-I239 HydrophobicContact CG1-CD1 4.23Å; V194-I239 HydrophobicContact CG2-CD1 4.14Å; V194-I239 HydrophobicContact CG2-CG2 4.16Å; L197-I239 HydrophobicContact CD2-CD1 4.07Å; V203-I239 HydrophobicContact CG1-CD1 3.87Å; V203-I239 HydrophobicContact CG2-CD1 4.31Å; I239-F241 HydrophobicContact CG2-CB 4.05Å; I239-F241 HydrophobicContact CG2-CD1 3.73Å; I239-F241 HydrophobicContact CG2-CD2 3.47Å; I239-F241 VanDerWaalsContact CG2-CD2 3.47Å; I239-F241 HydrophobicContact CG2-CE1 4.03Å; I239-F241 HydrophobicContact CG2-CE2 3.77Å; I239-F241 HydrophobicContact CG2-CG 3.46Å; I239-F241 VanDerWaalsContact CG2-CG 3.46Å; I239-F241 HydrophobicContact CG2-CZ 4.05Å; I239-I265 HydrophobicContact CG1-CD1 4.21Å
240	A	97.2	Very high	96.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.			trans	-101.2	31	-177.5	0	0	0	0	0	112.4	Y238 E242 I254 P264 I265 V266	Y238-A240 HydrophobicContact CD1-CB 3.87Å; Y238-A240 HydrophobicContact CE1-CB 3.64Å; Y238-A240 PolarHBondContact O-N 2.83Å; A240-E242 PolarHBondContact O-N 3.21Å; A240-I254 HydrophobicContact CB-CD1 3.35Å; A240-I254 HydrophobicContact CB-CG1 4.25Å; A240-P264 HydrophobicContact CB-CB 4.2Å; A240-I265 PolarHBondContact N-O 2.79Å; A240-V266 HydrophobicContact CB-CG1 4.46Å
241	F	97.9	Very high	96.5	Very high	1 Å²	1	20 Å²	20	0%	0.004	9%	0.092	C	C	.	.			trans	-65.8	128.1	-177.5	-66.1	-9	0	0	0	111.9	R190 Y193 V194 I239 I265 V266 M267 A284	R190-F241 HydrophobicContact CB-CB 3.83Å; R190-F241 HydrophobicContact CB-CD2 4.05Å; R190-F241 HydrophobicContact CB-CG 4.41Å; R190-F241 WeakPolarHBondContact CD-O 3.23Å; R190-F241 HydrophobicContact CG-CB 4.43Å; R190-F241 PolarHBondContact NH1-O 3.22Å; Y193-F241 AromaticContact CD1-CE2 3.58Å; Y193-F241 HydrophobicContact CD1-CE2 3.58Å; Y193-F241 AromaticContact CD1-CZ 3.91Å; Y193-F241 HydrophobicContact CD1-CZ 3.91Å; Y193-F241 HydrophobicContact CE1-CE2 4.14Å; Y193-F241 AromaticContact CE1-CZ 4Å; Y193-F241 HydrophobicContact CE1-CZ 4Å; Y193-F241 HydrophobicContact CG-CE2 4.34Å; V194-F241 HydrophobicContact CG2-CD2 3.71Å; V194-F241 HydrophobicContact CG2-CE2 3.71Å; I239-F241 HydrophobicContact CG2-CB 4.05Å; I239-F241 HydrophobicContact CG2-CD1 3.73Å; I239-F241 HydrophobicContact CG2-CD2 3.47Å; I239-F241 VanDerWaalsContact CG2-CD2 3.47Å; I239-F241 HydrophobicContact CG2-CE1 4.03Å; I239-F241 HydrophobicContact CG2-CE2 3.77Å; I239-F241 HydrophobicContact CG2-CG 3.46Å; I239-F241 VanDerWaalsContact CG2-CG 3.46Å; I239-F241 HydrophobicContact CG2-CZ 4.05Å; F241-I265 WeakPolarHBondContact CD1-O 3.49Å; F241-I265 HydrophobicContact CE1-CG2 3.96Å; F241-I265 WeakPolarHBondContact CE1-O 3Å; F241-I265 HydrophobicContact CZ-CG2 4.26Å; F241-V266 VanDerWaalsContact CE1-C 3.41Å; F241-M267 HydrophobicContact CB-CG 3.87Å; F241-M267 HydrophobicContact CB-SD 4.16Å; F241-M267 HydrophobicContact CD1-CB 4.36Å; F241-M267 HydrophobicContact CD1-CG 3.4Å; F241-M267 VanDerWaalsContact CD1-CG 3.4Å; F241-M267 HydrophobicContact CD2-CG 4.02Å; F241-M267 HydrophobicContact CE1-CG 3.85Å; F241-M267 HydrophobicContact CE2-CG 4.42Å; F241-M267 HydrophobicContact CG-CG 3.49Å; F241-M267 VanDerWaalsContact CG-CG 3.49Å; F241-M267 HydrophobicContact CG-SD 4.27Å; F241-M267 HydrophobicContact CZ-CG 4.34Å; F241-A284 HydrophobicContact CE1-CB 4.34Å; F241-A284 HydrophobicContact CZ-CB 4.12Å
242	E	97.3	Very high	96.5	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	10%	0.1	C	C	.	.			trans	-78.5	150.8	176.7	-61.5	-66.4	-180	0	0	112.6	S188 R190 A240 S244 F249 T251 K253 M267 Y272	S188-E242 PolarHBondContact OG-O 2.79Å; R190-E242 WeakPolarHBondContact CD-O 3.32Å; A240-E242 PolarHBondContact O-N 3.21Å; E242-S244 WeakPolarHBondContact CB-O 3.33Å; E242-S244 PolarHBondContact O-N 2.81Å; E242-F249 HydrophobicContact CB-CD1 4.21Å; E242-F249 HydrophobicContact CB-CE1 4.44Å; E242-T251 VanDerWaalsContact CD-CG2 3.47Å; E242-T251 VanDerWaalsContact OE1-CB 3.26Å; E242-T251 WeakPolarHBondContact OE1-CB 3.3Å; E242-T251 WeakPolarHBondContact OE1-CG2 3.27Å; E242-T251 PolarHBondContact OE1-N 2.84Å; E242-T251 PolarHBondContact OE1-OG1 2.89Å; E242-T251 WeakPolarHBondContact OE2-CG2 3.46Å; E242-T251 PolarHBondContact OE2-OG1 3.17Å; E242-K253 WeakPolarHBondContact OE2-CD 3.43Å; E242-K253 VanDerWaalsContact OE2-CE 3.3Å; E242-K253 WeakPolarHBondContact OE2-CE 3.3Å; E242-K253 IonicContact OE2-NZ 2.66Å; E242-K253 PolarHBondContact OE2-NZ 3.36Å; E242-M267 HydrophobicContact CB-CE 4.3Å; E242-M267 VanDerWaalsContact O-CE 3.24Å; E242-M267 WeakPolarHBondContact O-CE 3.45Å; E242-Y272 WeakPolarHBondContact CG-OH 3.39Å
243	N	96.8	Very high	96.5	Very high	19 Å²	19	18 Å²	18	10%	0.102	8%	0.084	C	C	.	.	S	Bend	trans	-66.2	-18.6	174.4	57	-33.4	0	0	0	112.6	Y119 F183 T186 T187 S188 F249	Y119-N243 WeakPolarHBondContact CE2-ND2 3.34Å; F183-N243 HydrophobicContact CD1-CB 4Å; T186-N243 VanDerWaalsContact CB-O 3.29Å; T186-N243 WeakPolarHBondContact CB-O 3.38Å; T186-N243 HydrophobicContact CG2-CB 3.9Å; T187-N243 PolarHBondContact OG1-O 3.26Å; S188-N243 WeakPolarHBondContact CB-O 3.23Å; S188-N243 PolarHBondContact N-O 2.9Å; S188-N243 VanDerWaalsContact N-O 3.16Å; S188-N243 VanDerWaalsContact OG-C 3.3Å; S188-N243 PolarHBondContact OG-O 3.3Å; S188-N243 VanDerWaalsContact OG-O 3.09Å; N243-F249 WeakPolarHBondContact OD1-CE1 2.99Å
244	S	98	Very high	96.6	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.007	6%	0.058	C	C	.	.	S	Bend	trans	-131	131.4	173.4	-66.4	0	0	0	0	110	S116 Y119 T187 E242 C246	S116-S244 VanDerWaalsContact CB-CB 3.46Å; S116-S244 WeakPolarHBondContact CB-OG 3.15Å; S116-S244 VanDerWaalsContact OG-CB 3.23Å; S116-S244 WeakPolarHBondContact OG-CB 3.48Å; S116-S244 PolarHBondContact OG-OG 2.93Å; Y119-S244 VanDerWaalsContact CE2-OG 3.25Å; Y119-S244 WeakPolarHBondContact CE2-OG 3.43Å; T187-S244 PolarHBondContact OG1-OG 3.28Å; E242-S244 WeakPolarHBondContact CB-O 3.33Å; E242-S244 PolarHBondContact O-N 2.81Å; S244-C246 PolarHBondContact O-N 3.31Å
245	A	97.8	Very high	96.6	Very high	2 Å²	2	10.1 Å²	10.1	2%	0.017	5%	0.047	C	C	.	.			trans	-91.9	81.4	176.3	0	0	0	0	0	109.3	M267 F271 C365 V366 Y369	A245-M267 HydrophobicContact CB-CE 3.83Å; A245-F271 VanDerWaalsContact C-CE2 3.4Å; A245-F271 HydrophobicContact CB-CE2 4.31Å; A245-F271 WeakPolarHBondContact O-CE2 3.33Å; A245-C365 CarbonylContact O-C 3.54Å; A245-C365 VanDerWaalsContact O-CA 3.28Å; A245-C365 WeakPolarHBondContact O-CA 3.27Å; A245-V366 PolarHBondContact O-N 2.97Å; A245-Y369 HydrophobicContact CB-CD1 4.22Å; A245-Y369 HydrophobicContact CB-CG 4.09Å
246	C	97.9	Very high	96.2	Very high	4 Å²	4	10.5 Å²	10.5	3%	0.027	5%	0.049	C	C	.	.			trans	-125.4	159.9	-174	-56.2	0	0	0	0	113.1	S244 D248 F249 F271 C365	S244-C246 PolarHBondContact O-N 3.31Å; C246-D248 PolarHBondContact O-N 3.19Å; C246-F249 HydrophobicContact CB-CB 3.95Å; C246-F249 PolarHBondContact O-N 3.32Å; C246-F271 VanDerWaalsContact O-CD2 3.3Å; C246-F271 WeakPolarHBondContact O-CD2 3.33Å; C246-F271 WeakPolarHBondContact O-CG 3.46Å; C246-C365 HydrophobicContact CB-CB 4.09Å; C246-C365 WeakPolarHBondContact CB-SG 3.4Å; C246-C365 WeakPolarHBondContact SG-CB 3.43Å; C246-C365 CovalentContact SG-SG 2.03Å; C246-C365 PolarHBondContact SG-SG 3.16Å
247	K	96	Very high	96	Very high	71 Å²	71	10.5 Å²	10.5	31%	0.309	5%	0.049	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	134.7	171.5	-178.2	-169.3	169.3	-166.1	0	109.2	D142 F249 F271 S363	D142-K247 IonicContact OD2-NZ 2.64Å; D142-K247 PolarHBondContact OD2-NZ 2.9Å; K247-F249 PolarHBondContact O-N 3.31Å; K247-F271 HydrophobicContact CB-CE1 4.4Å; K247-S363 WeakPolarHBondContact CB-O 3.09Å; K247-S363 PolarHBondContact N-O 3.15Å
248	D	96.8	Very high	95.6	Very high	6 Å²	6	10.9 Å²	10.9	3%	0.032	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-5.1	175.9	-59.1	-12.9	0	0	0	116.5	F139 R141 C246 V250	F139-D248 HydrophobicContact CD2-CB 4.32Å; F139-D248 WeakPolarHBondContact CD2-O 3.43Å; F139-D248 HydrophobicContact CE2-CB 4.44Å; R141-D248 IonicContact CZ-OD1 2.84Å; R141-D248 VanDerWaalsContact CZ-OD1 3.24Å; R141-D248 IonicContact CZ-OD2 3.81Å; R141-D248 PolarHBondContact N-OD2 3.36Å; R141-D248 VanDerWaalsContact N-OD2 3.16Å; R141-D248 VanDerWaalsContact NE-CG 3.29Å; R141-D248 IonicContact NE-OD1 3.97Å; R141-D248 PolarHBondContact NE-OD1 2.95Å; R141-D248 IonicContact NE-OD2 2.99Å; R141-D248 PolarHBondContact NE-OD2 2.75Å; R141-D248 IonicContact NH2-OD1 3.35Å; R141-D248 PolarHBondContact NH2-OD1 3.44Å; R141-D248 IonicContact NH2-OD2 3.83Å; C246-D248 PolarHBondContact O-N 3.19Å; D248-V250 PolarHBondContact O-N 3.37Å
249	F	97.9	Very high	95.3	Very high	5 Å²	5	12.9 Å²	12.9	2%	0.022	6%	0.061	C	C	.	.			trans	-77.9	76.1	179.7	-165.7	-113.7	0	0	0	110.6	F139 F149 E242 N243 C246 K247 T251	F139-F249 AromaticContact CD1-CD2 3.88Å; F139-F249 HydrophobicContact CD1-CD2 3.88Å; F139-F249 HydrophobicContact CD1-CE2 4.22Å; F139-F249 HydrophobicContact CD2-CB 4.36Å; F139-F249 HydrophobicContact CD2-CD2 4.05Å; F139-F249 AromaticContact CE1-CD2 3.47Å; F139-F249 HydrophobicContact CE1-CD2 3.47Å; F139-F249 VanDerWaalsContact CE1-CD2 3.47Å; F139-F249 AromaticContact CE1-CE2 3.87Å; F139-F249 HydrophobicContact CE1-CE2 3.87Å; F139-F249 HydrophobicContact CE2-CB 3.73Å; F139-F249 AromaticContact CE2-CD2 3.67Å; F139-F249 HydrophobicContact CE2-CD2 3.67Å; F139-F249 HydrophobicContact CE2-CG 4.2Å; F139-F249 HydrophobicContact CG-CD2 4.18Å; F139-F249 HydrophobicContact CZ-CB 4.07Å; F139-F249 AromaticContact CZ-CD2 3.38Å; F139-F249 HydrophobicContact CZ-CD2 3.38Å; F139-F249 HydrophobicContact CZ-CE2 4.2Å; F139-F249 HydrophobicContact CZ-CG 4.14Å; F149-F249 HydrophobicContact CE2-CD2 4.31Å; F149-F249 HydrophobicContact CE2-CE2 4.04Å; F149-F249 HydrophobicContact CZ-CE2 4.16Å; E242-F249 HydrophobicContact CB-CD1 4.21Å; E242-F249 HydrophobicContact CB-CE1 4.44Å; N243-F249 WeakPolarHBondContact OD1-CE1 2.99Å; C246-F249 HydrophobicContact CB-CB 3.95Å; C246-F249 PolarHBondContact O-N 3.32Å; K247-F249 PolarHBondContact O-N 3.31Å; F249-T251 HydrophobicContact CD1-CG2 4.17Å; F249-T251 HydrophobicContact CD2-CG2 4.26Å; F249-T251 HydrophobicContact CE1-CG2 3.83Å; F249-T251 HydrophobicContact CE2-CG2 3.96Å; F249-T251 HydrophobicContact CG-CG2 4.4Å; F249-T251 HydrophobicContact CZ-CG2 3.74Å
250	V	97.1	Very high	95	Very high	5 Å²	5	13.5 Å²	13.5	3%	0.03	7%	0.065	C	C	.	.			trans	-118.3	111.3	175.3	179.3	0	0	0	0	107.5	D248 I254 F255 F271 Y272 L275	D248-V250 PolarHBondContact O-N 3.37Å; V250-I254 HydrophobicContact CG1-CB 4.13Å; V250-I254 HydrophobicContact CG1-CG1 3.78Å; V250-F255 HydrophobicContact CG1-CE2 3.99Å; V250-F255 HydrophobicContact CG1-CZ 4.19Å; V250-F271 WeakPolarHBondContact CG2-O 3.38Å; V250-Y272 HydrophobicContact CB-CD1 4.39Å; V250-Y272 HydrophobicContact CB-CE1 4.36Å; V250-Y272 HydrophobicContact CG1-CD1 3.77Å; V250-Y272 HydrophobicContact CG1-CE1 3.84Å; V250-Y272 HydrophobicContact CG2-CD1 3.68Å; V250-Y272 HydrophobicContact CG2-CD2 4.48Å; V250-Y272 HydrophobicContact CG2-CE1 3.79Å; V250-Y272 HydrophobicContact CG2-CG 4.06Å; V250-L275 HydrophobicContact CB-CD1 3.76Å; V250-L275 HydrophobicContact CG1-CD1 4.44Å; V250-L275 HydrophobicContact CG2-CD1 3.74Å
251	T	95.4	Very high	94.7	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.006	7%	0.073	C	C	.	.			trans	-101.5	-168.9	-162.1	73.6	0	0	0	0	112.9	F149 E242 F249 K253 I254 F255	F149-T251 HydrophobicContact CD2-CG2 4.09Å; F149-T251 HydrophobicContact CE1-CG2 4.44Å; F149-T251 HydrophobicContact CE2-CG2 3.72Å; F149-T251 HydrophobicContact CZ-CG2 3.86Å; E242-T251 VanDerWaalsContact CD-CG2 3.47Å; E242-T251 VanDerWaalsContact OE1-CB 3.26Å; E242-T251 WeakPolarHBondContact OE1-CB 3.3Å; E242-T251 WeakPolarHBondContact OE1-CG2 3.27Å; E242-T251 PolarHBondContact OE1-N 2.84Å; E242-T251 PolarHBondContact OE1-OG1 2.89Å; E242-T251 WeakPolarHBondContact OE2-CG2 3.46Å; E242-T251 PolarHBondContact OE2-OG1 3.17Å; F249-T251 HydrophobicContact CD1-CG2 4.17Å; F249-T251 HydrophobicContact CD2-CG2 4.26Å; F249-T251 HydrophobicContact CE1-CG2 3.83Å; F249-T251 HydrophobicContact CE2-CG2 3.96Å; F249-T251 HydrophobicContact CG-CG2 4.4Å; F249-T251 HydrophobicContact CZ-CG2 3.74Å; T251-K253 PolarHBondContact O-N 3.07Å; T251-K253 PolarHBondContact OG1-N 3.13Å; T251-K253 PolarHBondContact OG1-NZ 2.81Å; T251-I254 PolarHBondContact O-N 3.41Å; T251-F255 VanDerWaalsContact O-CD2 3.24Å; T251-F255 WeakPolarHBondContact O-CD2 3.42Å
252	E	92.9	Very high	94.6	Very high	38 Å²	38	15.6 Å²	15.6	18%	0.178	8%	0.075	C	C	.	.	H	α-helix	trans	-54.6	-23.4	174.2	79.5	-68.3	155.8	0	0	113	I254 F255 N256 F322	E252-I254 PolarHBondContact O-N 3.48Å; E252-F255 PolarHBondContact O-N 3.43Å; E252-N256 WeakPolarHBondContact O-CB 3.24Å; E252-N256 PolarHBondContact O-N 2.91Å; E252-N256 PolarHBondContact O-OD1 3.46Å; E252-F322 HydrophobicContact CB-CB 3.54Å; E252-F322 HydrophobicContact CB-CG 4.1Å
253	K	92.9	Very high	94.6	Very high	29 Å²	29	15.6 Å²	15.6	13%	0.126	8%	0.075	C	C	.	.	H	α-helix	trans	-55.5	-37.6	-179.7	-68.6	174.8	-157.1	64.4	0	112.6	Y238 E242 T251	Y238-K253 WeakPolarHBondContact CE1-O 3.35Å; E242-K253 WeakPolarHBondContact OE2-CD 3.43Å; E242-K253 VanDerWaalsContact OE2-CE 3.3Å; E242-K253 WeakPolarHBondContact OE2-CE 3.3Å; E242-K253 IonicContact OE2-NZ 2.66Å; E242-K253 PolarHBondContact OE2-NZ 3.36Å; T251-K253 PolarHBondContact O-N 3.07Å; T251-K253 PolarHBondContact OG1-N 3.13Å; T251-K253 PolarHBondContact OG1-NZ 2.81Å
254	I	94.6	Very high	94.6	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-78.5	-62.8	173.9	-65	-68.1	0	0	0	109.3	A240 V250 T251 E252 N256 R257 V258 P264 V266 Y272 L276	A240-I254 HydrophobicContact CB-CD1 3.35Å; A240-I254 HydrophobicContact CB-CG1 4.25Å; V250-I254 HydrophobicContact CG1-CB 4.13Å; V250-I254 HydrophobicContact CG1-CG1 3.78Å; T251-I254 PolarHBondContact O-N 3.41Å; E252-I254 PolarHBondContact O-N 3.48Å; I254-N256 VanDerWaalsContact C-N 3.28Å; I254-N256 PolarHBondContact O-N 3.11Å; I254-R257 PolarHBondContact O-N 3.43Å; I254-V258 HydrophobicContact CG2-CG1 3.62Å; I254-V258 WeakPolarHBondContact O-CG1 3.37Å; I254-V258 PolarHBondContact O-N 3.16Å; I254-P264 HydrophobicContact CD1-CB 3.73Å; I254-P264 HydrophobicContact CD1-CG 4.36Å; I254-V266 HydrophobicContact CD1-CG1 3.89Å; I254-Y272 HydrophobicContact CD1-CD1 4.27Å; I254-Y272 HydrophobicContact CD1-CE1 4.05Å; I254-Y272 HydrophobicContact CG1-CD1 4.19Å; I254-Y272 HydrophobicContact CG1-CE1 3.91Å; I254-L276 HydrophobicContact CG2-CD1 3.89Å; I254-L276 HydrophobicContact CG2-CD2 3.8Å; I254-L276 HydrophobicContact CG2-CG 4.48Å
255	F	94.1	Very high	94.7	Very high	5 Å²	5	15.1 Å²	15.1	2%	0.022	7%	0.073	C	C	.	.	H	α-helix	trans	-64.9	-28.4	-165.9	-57.6	-70.8	0	0	0	114.1	F149 G150 V250 T251 E252 R257 L276	F149-F255 HydrophobicContact CB-CD2 4.44Å; G150-F255 WeakPolarHBondContact O-CE1 3.29Å; G150-F255 VanDerWaalsContact O-CE2 3.27Å; G150-F255 WeakPolarHBondContact O-CE2 3.4Å; G150-F255 WeakPolarHBondContact O-CZ 3.22Å; V250-F255 HydrophobicContact CG1-CE2 3.99Å; V250-F255 HydrophobicContact CG1-CZ 4.19Å; T251-F255 VanDerWaalsContact O-CD2 3.24Å; T251-F255 WeakPolarHBondContact O-CD2 3.42Å; E252-F255 PolarHBondContact O-N 3.43Å; F255-R257 VanDerWaalsContact C-N 3.32Å; F255-R257 PolarHBondContact O-N 3.03Å; F255-L276 HydrophobicContact CE1-CD2 4.06Å
256	N	90.3	Very high	94.7	Very high	8 Å²	8	15 Å²	15	4%	0.043	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-23.9	178.5	-66.4	4.7	0	0	0	113	Q223 E252 I254 P321 F322	Q223-N256 PolarHBondContact NE2-O 3.37Å; E252-N256 WeakPolarHBondContact O-CB 3.24Å; E252-N256 PolarHBondContact O-N 2.91Å; E252-N256 PolarHBondContact O-OD1 3.46Å; I254-N256 VanDerWaalsContact C-N 3.28Å; I254-N256 PolarHBondContact O-N 3.11Å; N256-P321 WeakPolarHBondContact OD1-CB 3.45Å; N256-F322 PolarHBondContact OD1-N 2.89Å
257	R	91.1	Very high	94.7	Very high	17 Å²	17	15 Å²	15	6%	0.064	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-13	-169.4	-67.8	-172.3	-176.7	84.8	-1.1	115.1	E228 Y238 I254 F255 E259 S260 M262	E228-R257 VanDerWaalsContact CD-NE 3.29Å; E228-R257 IonicContact OE1-CZ 2.59Å; E228-R257 IonicContact OE1-NE 3.99Å; E228-R257 PolarHBondContact OE1-NE 2.85Å; E228-R257 IonicContact OE1-NH2 3.79Å; E228-R257 PolarHBondContact OE1-NH2 3.26Å; E228-R257 WeakPolarHBondContact OE2-CD 3.37Å; E228-R257 WeakPolarHBondContact OE2-CG 3.44Å; E228-R257 IonicContact OE2-CZ 3.16Å; E228-R257 IonicContact OE2-NE 2.96Å; E228-R257 PolarHBondContact OE2-NE 3.48Å; E228-R257 IonicContact OE2-NH2 2.63Å; Y238-R257 PolarHBondContact OH-NH1 3.07Å; I254-R257 PolarHBondContact O-N 3.43Å; F255-R257 VanDerWaalsContact C-N 3.32Å; F255-R257 PolarHBondContact O-N 3.03Å; R257-E259 PolarHBondContact O-N 3.44Å; R257-E259 VanDerWaalsContact O-N 3.1Å; R257-S260 VanDerWaalsContact O-CB 3.31Å; R257-S260 WeakPolarHBondContact O-CB 3.28Å; R257-S260 PolarHBondContact O-N 3.45Å; R257-M262 HydrophobicContact CB-CE 4.26Å
258	V	90.9	Very high	94.7	Very high	8 Å²	8	13.9 Å²	13.9	5%	0.048	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-57	-29.4	179.5	-77.6	0	0	0	0	112.2	L152 I254 S260 W313 K314 A319	L152-V258 HydrophobicContact CD2-CG2 4.48Å; I254-V258 HydrophobicContact CG2-CG1 3.62Å; I254-V258 WeakPolarHBondContact O-CG1 3.37Å; I254-V258 PolarHBondContact O-N 3.16Å; V258-S260 VanDerWaalsContact C-N 3.26Å; V258-S260 PolarHBondContact O-N 2.99Å; V258-W313 HydrophobicContact CB-CH2 4.05Å; V258-W313 HydrophobicContact CB-CZ2 4.09Å; V258-W313 HydrophobicContact CG2-CH2 4.28Å; V258-K314 VanDerWaalsContact C-NZ 3.31Å; V258-K314 WeakPolarHBondContact O-CE 3.49Å; V258-K314 PolarHBondContact O-NZ 2.03Å; V258-A319 HydrophobicContact CG2-CB 3.48Å; V258-A319 VanDerWaalsContact CG2-CB 3.48Å
259	E	90	Very high	94.8	Very high	47 Å²	47	16.6 Å²	16.6	22%	0.22	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-73	-7.3	174.8	-62.5	-57.6	161.4	0	0	115.8	R257 H261 K314 E318 A319	R257-E259 PolarHBondContact O-N 3.44Å; R257-E259 VanDerWaalsContact O-N 3.1Å; E259-H261 PolarHBondContact O-N 3.01Å; E259-K314 IonicContact OE1-NZ 3.98Å; E259-K314 IonicContact OE2-NZ 3.52Å; E259-K314 PolarHBondContact OE2-NZ 3.28Å; E259-E318 WeakPolarHBondContact OE1-CA 3.46Å; E259-A319 HydrophobicContact CG-CB 4.05Å; E259-A319 PolarHBondContact OE1-N 3.1Å
260	S	91.4	Very high	94.7	Very high	13 Å²	13	19.2 Å²	19.2	9%	0.091	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-85.5	11.3	-178.6	-63.4	0	0	0	0	114.2	K173 R257 V258 M262	K173-S260 PolarHBondContact NZ-O 2.86Å; R257-S260 VanDerWaalsContact O-CB 3.31Å; R257-S260 WeakPolarHBondContact O-CB 3.28Å; R257-S260 PolarHBondContact O-N 3.45Å; V258-S260 VanDerWaalsContact C-N 3.26Å; V258-S260 PolarHBondContact O-N 2.99Å; S260-M262 PolarHBondContact O-N 3.18Å; S260-M262 VanDerWaalsContact O-N 3.16Å
261	H	91.9	Very high	94.7	Very high	38 Å²	38	20 Å²	20	18%	0.176	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	35.7	-175.9	-53.2	103	0	0	0	112.8	W166 I169 K173 E259 Y307	W166-H261 AromaticContact CZ3-CD2 3.56Å; W166-H261 AromaticContact CZ3-NE2 3.48Å; W166-H261 WeakPolarHBondContact CZ3-NE2 3.45Å; I169-H261 HydrophobicContact CG2-CB 3.67Å; K173-H261 VanDerWaalsContact CE-O 3.22Å; K173-H261 WeakPolarHBondContact CE-O 3.02Å; K173-H261 PolarHBondContact NZ-O 3.26Å; E259-H261 PolarHBondContact O-N 3.01Å; H261-Y307 PolarHBondContact O-OH 2.69Å
262	M	95.2	Very high	94.8	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.039	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-103.9	134.5	168.7	-63.7	-172.6	-71.4	0	0	107.7	V178 F231 Y235 K236 R257 S260 P264	V178-M262 HydrophobicContact CG1-SD 4.05Å; F231-M262 HydrophobicContact CB-CE 3.93Å; F231-M262 HydrophobicContact CB-SD 4.06Å; Y235-M262 WeakPolarHBondContact O-CG 3.25Å; K236-M262 CarbonylContact O-C 3.42Å; K236-M262 VanDerWaalsContact O-CA 3.31Å; K236-M262 WeakPolarHBondContact O-CA 3.33Å; R257-M262 HydrophobicContact CB-CE 4.26Å; S260-M262 PolarHBondContact O-N 3.18Å; S260-M262 VanDerWaalsContact O-N 3.16Å; M262-P264 WeakPolarHBondContact O-CD 3.18Å
263	V	97.6	Very high	94.9	Very high	1 Å²	1	23 Å²	23	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	117.8	176.2	179.9	0	0	0	0	108.8	K236 F237 Y238 I282 Y307 Y310 Y311	K236-V263 PolarHBondContact O-N 2.97Å; F237-V263 WeakPolarHBondContact CA-O 3.22Å; F237-V263 HydrophobicContact CD1-CB 3.82Å; F237-V263 HydrophobicContact CD1-CG1 4.36Å; F237-V263 HydrophobicContact CE1-CB 4.19Å; Y238-V263 PolarHBondContact N-O 3.34Å; V263-I282 HydrophobicContact CG1-CD1 3.89Å; V263-I282 HydrophobicContact CG1-CG1 3.89Å; V263-Y307 HydrophobicContact CB-CE2 4.34Å; V263-Y307 HydrophobicContact CG2-CD2 3.94Å; V263-Y307 HydrophobicContact CG2-CE2 3.44Å; V263-Y307 VanDerWaalsContact CG2-CE2 3.44Å; V263-Y310 HydrophobicContact CG1-CD1 3.57Å; V263-Y310 HydrophobicContact CG1-CD2 4.49Å; V263-Y310 HydrophobicContact CG1-CE1 4.2Å; V263-Y310 HydrophobicContact CG1-CG 3.74Å; V263-Y310 VanDerWaalsContact CG2-CB 3.42Å; V263-Y310 HydrophobicContact CG2-CG 3.99Å; V263-Y311 HydrophobicContact CG2-CD1 4.23Å
264	P	98.1	Very high	95	Very high	9 Å²	9	24.5 Å²	24.5	6%	0.058	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	135.5	178.5	28	-32.7	0	0	0	111	Y238 A240 I254 M262 S280 F281 I282	Y238-P264 CarbonylContact O-C 3.57Å; Y238-P264 WeakPolarHBondContact O-CA 3.32Å; A240-P264 HydrophobicContact CB-CB 4.2Å; I254-P264 HydrophobicContact CD1-CB 3.73Å; I254-P264 HydrophobicContact CD1-CG 4.36Å; M262-P264 WeakPolarHBondContact O-CD 3.18Å; P264-S280 WeakPolarHBondContact CD-O 3.04Å; P264-F281 HydrophobicContact CG-CB 3.78Å; P264-F281 WeakPolarHBondContact O-CA 3.31Å; P264-I282 PolarHBondContact O-N 2.98Å
265	I	98.6	Very high	95.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.1	170.6	-55	163.6	0	0	0	107.4	V177 F237 Y238 I239 A240 F241 I282 L293 I297	V177-I265 HydrophobicContact CG1-CD1 4.27Å; F237-I265 HydrophobicContact CB-CD1 3.91Å; F237-I265 HydrophobicContact CB-CG1 4.47Å; Y238-I265 PolarHBondContact O-N 2.81Å; I239-I265 HydrophobicContact CG1-CD1 4.21Å; A240-I265 PolarHBondContact N-O 2.79Å; F241-I265 WeakPolarHBondContact CD1-O 3.49Å; F241-I265 HydrophobicContact CE1-CG2 3.96Å; F241-I265 WeakPolarHBondContact CE1-O 3Å; F241-I265 HydrophobicContact CZ-CG2 4.26Å; I265-I282 CarbonylContact C-O 3.49Å; I265-I282 WeakPolarHBondContact CA-O 3.47Å; I265-I282 HydrophobicContact CG1-CB 4.37Å; I265-L293 HydrophobicContact CG2-CD1 4.45Å; I265-L293 HydrophobicContact CG2-CD2 4.13Å; I265-I297 HydrophobicContact CD1-CD1 3.58Å; I265-I297 HydrophobicContact CD1-CG1 4.33Å
266	V	98.4	Very high	95.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	159.3	-173.9	-54.5	0	0	0	0	111.1	A240 F241 I254 Y272 F281 I282 A283 A284	A240-V266 HydrophobicContact CB-CG1 4.46Å; F241-V266 VanDerWaalsContact CE1-C 3.41Å; I254-V266 HydrophobicContact CD1-CG1 3.89Å; V266-Y272 HydrophobicContact CB-CD1 4.02Å; V266-Y272 HydrophobicContact CB-CD2 3.77Å; V266-Y272 HydrophobicContact CB-CE1 3.81Å; V266-Y272 HydrophobicContact CB-CE2 3.62Å; V266-Y272 HydrophobicContact CB-CG 3.99Å; V266-Y272 HydrophobicContact CG1-CD1 3.57Å; V266-Y272 HydrophobicContact CG1-CD2 4.25Å; V266-Y272 HydrophobicContact CG1-CE1 3.46Å; V266-Y272 VanDerWaalsContact CG1-CE1 3.46Å; V266-Y272 HydrophobicContact CG1-CE2 4.23Å; V266-Y272 HydrophobicContact CG1-CG 3.96Å; V266-Y272 HydrophobicContact CG2-CD1 4.4Å; V266-Y272 HydrophobicContact CG2-CD2 3.68Å; V266-Y272 HydrophobicContact CG2-CE2 4Å; V266-Y272 HydrophobicContact CG2-CG 3.92Å; V266-F281 HydrophobicContact CG1-CB 4.49Å; V266-F281 HydrophobicContact CG2-CD2 3.49Å; V266-F281 VanDerWaalsContact CG2-CD2 3.49Å; V266-F281 HydrophobicContact CG2-CE2 3.86Å; V266-F281 HydrophobicContact CG2-CG 4.35Å; V266-I282 PolarHBondContact N-O 3.49Å; V266-A283 HydrophobicContact CG2-CB 3.92Å; V266-A283 CarbonylContact O-C 3.51Å; V266-A283 WeakPolarHBondContact O-CA 3.1Å; V266-A284 WeakPolarHBondContact O-CB 3.46Å; V266-A284 PolarHBondContact O-N 3.22Å
267	M	97	Very high	95.5	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.02	14%	0.142	C	C	.	.	S	Bend	trans	-74.3	-46.3	-175.2	-67.1	-173.5	-68.3	0	0	113.2	R190 F241 E242 A245 D285 Y369	R190-M267 HydrophobicContact CB-SD 4.04Å; F241-M267 HydrophobicContact CB-CG 3.87Å; F241-M267 HydrophobicContact CB-SD 4.16Å; F241-M267 HydrophobicContact CD1-CB 4.36Å; F241-M267 HydrophobicContact CD1-CG 3.4Å; F241-M267 VanDerWaalsContact CD1-CG 3.4Å; F241-M267 HydrophobicContact CD2-CG 4.02Å; F241-M267 HydrophobicContact CE1-CG 3.85Å; F241-M267 HydrophobicContact CE2-CG 4.42Å; F241-M267 HydrophobicContact CG-CG 3.49Å; F241-M267 VanDerWaalsContact CG-CG 3.49Å; F241-M267 HydrophobicContact CG-SD 4.27Å; F241-M267 HydrophobicContact CZ-CG 4.34Å; E242-M267 HydrophobicContact CB-CE 4.3Å; E242-M267 VanDerWaalsContact O-CE 3.24Å; E242-M267 WeakPolarHBondContact O-CE 3.45Å; A245-M267 HydrophobicContact CB-CE 3.83Å; M267-D285 WeakPolarHBondContact O-CB 2.98Å; M267-D285 PolarHBondContact O-N 3.11Å; M267-Y369 HydrophobicContact CB-CD1 4.01Å; M267-Y369 HydrophobicContact CB-CE1 4.1Å
268	K	97.1	Very high	95.6	Very high	48 Å²	48	33.6 Å²	33.6	21%	0.209	17%	0.169	C	C	.	.			trans	-136	114.3	-169.5	-172.5	178.2	-174.2	-174.2	0	112	S270 F271 Y272 D285 Y369	K268-S270 VanDerWaalsContact C-N 3.31Å; K268-S270 VanDerWaalsContact CE-OG 3.27Å; K268-S270 WeakPolarHBondContact CE-OG 3.44Å; K268-S270 PolarHBondContact O-N 3.27Å; K268-F271 HydrophobicContact CB-CD2 3.9Å; K268-F271 HydrophobicContact CB-CE2 4.3Å; K268-F271 HydrophobicContact CB-CG 4.38Å; K268-F271 HydrophobicContact CD-CD1 4.22Å; K268-F271 HydrophobicContact CD-CD2 3.81Å; K268-F271 HydrophobicContact CD-CE1 3.99Å; K268-F271 HydrophobicContact CD-CE2 3.53Å; K268-F271 HydrophobicContact CD-CG 4.16Å; K268-F271 HydrophobicContact CD-CZ 3.65Å; K268-F271 HydrophobicContact CG-CD2 4.3Å; K268-F271 HydrophobicContact CG-CE2 4.47Å; K268-F271 PolarHBondContact O-N 3.29Å; K268-F271 VanDerWaalsContact O-N 3.15Å; K268-Y272 VanDerWaalsContact O-CD2 3.24Å; K268-Y272 WeakPolarHBondContact O-CD2 3.42Å; K268-D285 WeakPolarHBondContact CA-OD1 3.49Å; K268-D285 WeakPolarHBondContact CG-OD2 3.33Å; K268-Y369 HydrophobicContact CB-CE1 3.65Å; K268-Y369 HydrophobicContact CD-CE1 4.38Å; K268-Y369 HydrophobicContact CD-CE2 4.29Å; K268-Y369 HydrophobicContact CG-CE1 4.23Å; K268-Y369 WeakPolarHBondContact CG-OH 3.33Å
269	R	97.6	Very high	95.8	Very high	63 Å²	63	34.8 Å²	34.8	24%	0.238	18%	0.183	C	C	.	.	H	α-helix	trans	-49	-48.2	-176.1	176.7	169	-70.7	-71.7	-5.4	113.7	F271 Y272 E273 F281 A283 D285 D286	R269-F271 PolarHBondContact O-N 3.11Å; R269-F271 VanDerWaalsContact O-N 3.07Å; R269-Y272 PolarHBondContact O-N 3.48Å; R269-E273 HydrophobicContact CG-CB 4.42Å; R269-E273 WeakPolarHBondContact O-CB 3.28Å; R269-E273 PolarHBondContact O-N 3.43Å; R269-F281 HydrophobicContact CB-CE2 4.49Å; R269-F281 HydrophobicContact CG-CE2 4.24Å; R269-F281 HydrophobicContact CG-CZ 4.32Å; R269-A283 HydrophobicContact CB-CB 3.68Å; R269-D285 PolarHBondContact N-OD1 3.14Å; R269-D285 PolarHBondContact N-OD2 3.32Å; R269-D286 IonicContact CZ-OD1 3.22Å; R269-D286 IonicContact CZ-OD2 2.99Å; R269-D286 VanDerWaalsContact CZ-OD2 3.32Å; R269-D286 IonicContact NE-OD1 2.87Å; R269-D286 PolarHBondContact NE-OD1 3.1Å; R269-D286 IonicContact NE-OD2 2.69Å; R269-D286 PolarHBondContact NE-OD2 3.32Å; R269-D286 IonicContact NH2-OD1 2.92Å; R269-D286 IonicContact NH2-OD2 3.24Å; R269-D286 PolarHBondContact NH2-OD2 3.12Å
270	S	96.6	Very high	96.1	Very high	60 Å²	60	32.7 Å²	32.7	42%	0.42	17%	0.174	S	C	.	.	H	α-helix	trans	-62.6	-19.8	-173.1	70.2	0	0	0	0	114.5	K268 P274	K268-S270 VanDerWaalsContact C-N 3.31Å; K268-S270 VanDerWaalsContact CE-OG 3.27Å; K268-S270 WeakPolarHBondContact CE-OG 3.44Å; K268-S270 PolarHBondContact O-N 3.27Å; S270-P274 WeakPolarHBondContact O-CD 3.36Å
271	F	96.8	Very high	96.4	Very high	20 Å²	20	32.2 Å²	32.2	9%	0.088	17%	0.17	C	C	.	.	H	α-helix	trans	-82.7	-21.2	177.3	-66	-21.5	0	0	0	113	A245 C246 K247 V250 K268 R269 G364	A245-F271 VanDerWaalsContact C-CE2 3.4Å; A245-F271 HydrophobicContact CB-CE2 4.31Å; A245-F271 WeakPolarHBondContact O-CE2 3.33Å; C246-F271 VanDerWaalsContact O-CD2 3.3Å; C246-F271 WeakPolarHBondContact O-CD2 3.33Å; C246-F271 WeakPolarHBondContact O-CG 3.46Å; K247-F271 HydrophobicContact CB-CE1 4.4Å; V250-F271 WeakPolarHBondContact CG2-O 3.38Å; K268-F271 HydrophobicContact CB-CD2 3.9Å; K268-F271 HydrophobicContact CB-CE2 4.3Å; K268-F271 HydrophobicContact CB-CG 4.38Å; K268-F271 HydrophobicContact CD-CD1 4.22Å; K268-F271 HydrophobicContact CD-CD2 3.81Å; K268-F271 HydrophobicContact CD-CE1 3.99Å; K268-F271 HydrophobicContact CD-CE2 3.53Å; K268-F271 HydrophobicContact CD-CG 4.16Å; K268-F271 HydrophobicContact CD-CZ 3.65Å; K268-F271 HydrophobicContact CG-CD2 4.3Å; K268-F271 HydrophobicContact CG-CE2 4.47Å; K268-F271 PolarHBondContact O-N 3.29Å; K268-F271 VanDerWaalsContact O-N 3.15Å; R269-F271 PolarHBondContact O-N 3.11Å; R269-F271 VanDerWaalsContact O-N 3.07Å; F271-G364 WeakPolarHBondContact CZ-O 3.47Å
272	Y	97.2	Very high	96.7	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-110.5	-30.6	-173.5	-62.7	-103.2	0	0	0	112.4	E242 V250 I254 V266 K268 R269 P274 L275 L276	E242-Y272 WeakPolarHBondContact CG-OH 3.39Å; V250-Y272 HydrophobicContact CB-CD1 4.39Å; V250-Y272 HydrophobicContact CB-CE1 4.36Å; V250-Y272 HydrophobicContact CG1-CD1 3.77Å; V250-Y272 HydrophobicContact CG1-CE1 3.84Å; V250-Y272 HydrophobicContact CG2-CD1 3.68Å; V250-Y272 HydrophobicContact CG2-CD2 4.48Å; V250-Y272 HydrophobicContact CG2-CE1 3.79Å; V250-Y272 HydrophobicContact CG2-CG 4.06Å; I254-Y272 HydrophobicContact CD1-CD1 4.27Å; I254-Y272 HydrophobicContact CD1-CE1 4.05Å; I254-Y272 HydrophobicContact CG1-CD1 4.19Å; I254-Y272 HydrophobicContact CG1-CE1 3.91Å; V266-Y272 HydrophobicContact CB-CD1 4.02Å; V266-Y272 HydrophobicContact CB-CD2 3.77Å; V266-Y272 HydrophobicContact CB-CE1 3.81Å; V266-Y272 HydrophobicContact CB-CE2 3.62Å; V266-Y272 HydrophobicContact CB-CG 3.99Å; V266-Y272 HydrophobicContact CG1-CD1 3.57Å; V266-Y272 HydrophobicContact CG1-CD2 4.25Å; V266-Y272 HydrophobicContact CG1-CE1 3.46Å; V266-Y272 VanDerWaalsContact CG1-CE1 3.46Å; V266-Y272 HydrophobicContact CG1-CE2 4.23Å; V266-Y272 HydrophobicContact CG1-CG 3.96Å; V266-Y272 HydrophobicContact CG2-CD1 4.4Å; V266-Y272 HydrophobicContact CG2-CD2 3.68Å; V266-Y272 HydrophobicContact CG2-CE2 4Å; V266-Y272 HydrophobicContact CG2-CG 3.92Å; K268-Y272 VanDerWaalsContact O-CD2 3.24Å; K268-Y272 WeakPolarHBondContact O-CD2 3.42Å; R269-Y272 PolarHBondContact O-N 3.48Å; Y272-P274 VanDerWaalsContact C-CD 3.43Å; Y272-P274 VanDerWaalsContact C-N 3.33Å; Y272-L275 PolarHBondContact O-N 2.85Å; Y272-L276 HydrophobicContact CD1-CD1 4.14Å; Y272-L276 PolarHBondContact O-N 3.31Å
273	E	96.3	Very high	96.9	Very high	99 Å²	99	30.1 Å²	30.1	46%	0.463	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-37	-179.5	-176.6	169	-146.1	0	0	114.6	R269 L275 F281	R269-E273 HydrophobicContact CG-CB 4.42Å; R269-E273 WeakPolarHBondContact O-CB 3.28Å; R269-E273 PolarHBondContact O-N 3.43Å; E273-L275 PolarHBondContact O-N 3.06Å; E273-F281 HydrophobicContact CB-CZ 4.24Å
274	P	95.3	Very high	96.9	Very high	61 Å²	61	30.1 Å²	30.1	40%	0.396	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.6	176.1	-19.8	34	0	0	0	114.9	S270 Y272	S270-P274 WeakPolarHBondContact O-CD 3.36Å; Y272-P274 VanDerWaalsContact C-CD 3.43Å; Y272-P274 VanDerWaalsContact C-N 3.33Å
275	L	95.2	Very high	96.9	Very high	45 Å²	45	31 Å²	31	24%	0.236	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-22.3	-172.9	-64.5	175.5	0	0	0	112.9	V250 Y272 E273	V250-L275 HydrophobicContact CB-CD1 3.76Å; V250-L275 HydrophobicContact CG1-CD1 4.44Å; V250-L275 HydrophobicContact CG2-CD1 3.74Å; Y272-L275 PolarHBondContact O-N 2.85Å; E273-L275 PolarHBondContact O-N 3.06Å
276	L	96.1	Very high	96.8	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.063	19%	0.185	C	C	.	.	S	Bend	trans	-121.7	149.8	-174.6	-56.9	-178.4	0	0	0	111.5	L152 I254 F255 Y272 F281	L152-L276 HydrophobicContact CD1-CD2 4.4Å; I254-L276 HydrophobicContact CG2-CD1 3.89Å; I254-L276 HydrophobicContact CG2-CD2 3.8Å; I254-L276 HydrophobicContact CG2-CG 4.48Å; F255-L276 HydrophobicContact CE1-CD2 4.06Å; Y272-L276 HydrophobicContact CD1-CD1 4.14Å; Y272-L276 PolarHBondContact O-N 3.31Å; L276-F281 HydrophobicContact CB-CD1 3.89Å; L276-F281 HydrophobicContact CB-CE1 3.95Å; L276-F281 HydrophobicContact CD1-CD1 3.79Å; L276-F281 HydrophobicContact CD1-CE1 4.33Å; L276-F281 HydrophobicContact CD1-CG 4.43Å; L276-F281 HydrophobicContact CG-CD1 4.48Å
277	P	96.3	Very high	96.8	Very high	22 Å²	22	36.2 Å²	36.2	14%	0.143	19%	0.191	C	C	.	.			trans	-61.8	145.6	-179.7	-22.4	35.1	0	0	0	110.7	L152 G279 S280 W313 Y317	L152-P277 HydrophobicContact CD1-CG 3.64Å; P277-G279 PolarHBondContact O-N 3.4Å; P277-S280 WeakPolarHBondContact CD-OG 3.47Å; P277-S280 VanDerWaalsContact O-CB 3.23Å; P277-S280 WeakPolarHBondContact O-CB 3.37Å; P277-S280 PolarHBondContact O-N 2.93Å; P277-S280 PolarHBondContact O-OG 2.03Å; P277-W313 HydrophobicContact CB-CB 3.87Å; P277-W313 HydrophobicContact CB-CG 4.17Å; P277-W313 HydrophobicContact CG-CB 4.08Å; P277-W313 HydrophobicContact CG-CD2 4.01Å; P277-W313 HydrophobicContact CG-CE3 3.94Å; P277-W313 HydrophobicContact CG-CG 4.09Å; P277-Y317 HydrophobicContact CG-CD2 4.11Å; P277-Y317 HydrophobicContact CG-CE2 4.25Å
278	K	94.5	Very high	96.7	Very high	143 Å²	143	42.9 Å²	42.9	62%	0.622	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	133.6	173.5	-172.5	179.5	-179	-177.6	0	109.9	S280	K278-S280 VanDerWaalsContact C-N 3.3Å; K278-S280 PolarHBondContact O-N 2.78Å
279	G	94.4	Very high	96.7	Very high	33 Å²	33	41.9 Å²	41.9	34%	0.34	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	8.9	-179.4	0	0	0	0	0	114.8	P277 Y310	P277-G279 PolarHBondContact O-N 3.4Å; G279-Y310 VanDerWaalsContact O-CA 3.31Å; G279-Y310 WeakPolarHBondContact O-CA 2.94Å; G279-Y310 WeakPolarHBondContact O-CD1 3.3Å
280	S	97.1	Very high	96.7	Very high	4 Å²	4	39 Å²	39	3%	0.028	21%	0.209	C	C	.	.	S	Bend	trans	-85.9	-8.1	178.3	62.5	0	0	0	0	115.2	P264 P277 K278	P264-S280 WeakPolarHBondContact CD-O 3.04Å; P277-S280 WeakPolarHBondContact CD-OG 3.47Å; P277-S280 VanDerWaalsContact O-CB 3.23Å; P277-S280 WeakPolarHBondContact O-CB 3.37Å; P277-S280 PolarHBondContact O-N 2.93Å; P277-S280 PolarHBondContact O-OG 2.03Å; K278-S280 VanDerWaalsContact C-N 3.3Å; K278-S280 PolarHBondContact O-N 2.78Å
281	F	98	Very high	96.8	Very high	2 Å²	2	41 Å²	41	1%	0.009	21%	0.21	C	C	.	.			trans	-149.6	158.6	-174.8	65.2	-95	0	0	0	112.3	P264 V266 R269 E273 L276 A283 Y310	P264-F281 HydrophobicContact CG-CB 3.78Å; P264-F281 WeakPolarHBondContact O-CA 3.31Å; V266-F281 HydrophobicContact CG1-CB 4.49Å; V266-F281 HydrophobicContact CG2-CD2 3.49Å; V266-F281 VanDerWaalsContact CG2-CD2 3.49Å; V266-F281 HydrophobicContact CG2-CE2 3.86Å; V266-F281 HydrophobicContact CG2-CG 4.35Å; R269-F281 HydrophobicContact CB-CE2 4.49Å; R269-F281 HydrophobicContact CG-CE2 4.24Å; R269-F281 HydrophobicContact CG-CZ 4.32Å; E273-F281 HydrophobicContact CB-CZ 4.24Å; L276-F281 HydrophobicContact CB-CD1 3.89Å; L276-F281 HydrophobicContact CB-CE1 3.95Å; L276-F281 HydrophobicContact CD1-CD1 3.79Å; L276-F281 HydrophobicContact CD1-CE1 4.33Å; L276-F281 HydrophobicContact CD1-CG 4.43Å; L276-F281 HydrophobicContact CG-CD1 4.48Å; F281-A283 HydrophobicContact CD2-CB 4.37Å; F281-A283 HydrophobicContact CE2-CB 4.15Å; F281-Y310 WeakPolarHBondContact O-CE1 3.42Å
282	I	98.5	Very high	96.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.5	172.4	-60	169.4	0	0	0	108	F237 V263 P264 I265 V266 F287 L293 Y296 L300 Y310	F237-I282 HydrophobicContact CD1-CD1 4.04Å; F237-I282 HydrophobicContact CE1-CD1 4Å; V263-I282 HydrophobicContact CG1-CD1 3.89Å; V263-I282 HydrophobicContact CG1-CG1 3.89Å; P264-I282 PolarHBondContact O-N 2.98Å; I265-I282 CarbonylContact C-O 3.49Å; I265-I282 WeakPolarHBondContact CA-O 3.47Å; I265-I282 HydrophobicContact CG1-CB 4.37Å; V266-I282 PolarHBondContact N-O 3.49Å; I282-F287 HydrophobicContact CG2-CE2 3.62Å; I282-F287 HydrophobicContact CG2-CZ 3.99Å; I282-L293 HydrophobicContact CG2-CD1 3.66Å; I282-Y296 HydrophobicContact CD1-CD1 4.37Å; I282-Y296 HydrophobicContact CD1-CE1 4.18Å; I282-Y296 HydrophobicContact CG1-CE1 4.29Å; I282-Y296 HydrophobicContact CG2-CD1 4.4Å; I282-L300 HydrophobicContact CD1-CD1 3.59Å; I282-L300 HydrophobicContact CG1-CD1 4.49Å; I282-Y310 HydrophobicContact CG1-CD1 4.39Å; I282-Y310 HydrophobicContact CG1-CE1 3.64Å
283	A	98.5	Very high	96.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.8	176.4	0	0	0	0	0	111	V266 R269 F281 D285 D286 F287	V266-A283 HydrophobicContact CG2-CB 3.92Å; V266-A283 CarbonylContact O-C 3.51Å; V266-A283 WeakPolarHBondContact O-CA 3.1Å; R269-A283 HydrophobicContact CB-CB 3.68Å; F281-A283 HydrophobicContact CD2-CB 4.37Å; F281-A283 HydrophobicContact CE2-CB 4.15Å; A283-D285 WeakPolarHBondContact CB-OD1 3.43Å; A283-D285 PolarHBondContact O-N 3.32Å; A283-D286 WeakPolarHBondContact CB-OD2 3.28Å; A283-D286 WeakPolarHBondContact O-CB 3.33Å; A283-D286 PolarHBondContact O-N 2.85Å; A283-D286 VanDerWaalsContact O-N 3.08Å; A283-F287 VanDerWaalsContact O-CD2 3.27Å; A283-F287 WeakPolarHBondContact O-CD2 3.39Å; A283-F287 VanDerWaalsContact O-CE2 3.25Å; A283-F287 WeakPolarHBondContact O-CE2 3.46Å
284	A	98.4	Very high	97	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-60.1	-28.6	-179.4	0	0	0	0	0	112.3	Y193 F241 V266 D286 F287 L293 L373	Y193-A284 HydrophobicContact CE1-CB 4.08Å; Y193-A284 HydrophobicContact CE2-CB 4.45Å; F241-A284 HydrophobicContact CE1-CB 4.34Å; F241-A284 HydrophobicContact CZ-CB 4.12Å; V266-A284 WeakPolarHBondContact O-CB 3.46Å; V266-A284 PolarHBondContact O-N 3.22Å; A284-D286 VanDerWaalsContact C-N 3.28Å; A284-D286 PolarHBondContact O-N 3.13Å; A284-F287 PolarHBondContact O-N 3.21Å; A284-L293 HydrophobicContact CB-CD2 4.22Å; A284-L373 HydrophobicContact CB-CD1 4.08Å
285	D	97.1	Very high	97.2	Very high	28 Å²	28	42 Å²	42	15%	0.15	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-77.7	-5.3	178.3	73.2	-34.5	0	0	0	115.1	M267 K268 R269 A283 F287 Y369 L373 R376	M267-D285 WeakPolarHBondContact O-CB 2.98Å; M267-D285 PolarHBondContact O-N 3.11Å; K268-D285 WeakPolarHBondContact CA-OD1 3.49Å; K268-D285 WeakPolarHBondContact CG-OD2 3.33Å; R269-D285 PolarHBondContact N-OD1 3.14Å; R269-D285 PolarHBondContact N-OD2 3.32Å; A283-D285 WeakPolarHBondContact CB-OD1 3.43Å; A283-D285 PolarHBondContact O-N 3.32Å; D285-F287 VanDerWaalsContact C-N 3.25Å; D285-Y369 WeakPolarHBondContact CB-OH 3.27Å; D285-L373 HydrophobicContact CB-CD2 3.67Å; D285-R376 PolarHBondContact O-NH1 2.96Å
286	D	97.5	Very high	97.4	Very high	79 Å²	79	43.2 Å²	43.2	42%	0.422	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-75.6	-16.5	169.1	-61.9	-37.8	0	0	0	112.3	R269 A283 A284	R269-D286 IonicContact CZ-OD1 3.22Å; R269-D286 IonicContact CZ-OD2 2.99Å; R269-D286 VanDerWaalsContact CZ-OD2 3.32Å; R269-D286 IonicContact NE-OD1 2.87Å; R269-D286 PolarHBondContact NE-OD1 3.1Å; R269-D286 IonicContact NE-OD2 2.69Å; R269-D286 PolarHBondContact NE-OD2 3.32Å; R269-D286 IonicContact NH2-OD1 2.92Å; R269-D286 IonicContact NH2-OD2 3.24Å; R269-D286 PolarHBondContact NH2-OD2 3.12Å; A283-D286 WeakPolarHBondContact CB-OD2 3.28Å; A283-D286 WeakPolarHBondContact O-CB 3.33Å; A283-D286 PolarHBondContact O-N 2.85Å; A283-D286 VanDerWaalsContact O-N 3.08Å; A284-D286 VanDerWaalsContact C-N 3.28Å; A284-D286 PolarHBondContact O-N 3.13Å
287	F	97.5	Very high	97.5	Very high	31 Å²	31	42.6 Å²	42.6	14%	0.136	21%	0.207	C	C	.	.	S	Bend	trans	-106.1	151.1	-173.5	-56.3	-86.4	0	0	0	111.5	I282 A283 A284 D285 S289 E292 L293 Y296	I282-F287 HydrophobicContact CG2-CE2 3.62Å; I282-F287 HydrophobicContact CG2-CZ 3.99Å; A283-F287 VanDerWaalsContact O-CD2 3.27Å; A283-F287 WeakPolarHBondContact O-CD2 3.39Å; A283-F287 VanDerWaalsContact O-CE2 3.25Å; A283-F287 WeakPolarHBondContact O-CE2 3.46Å; A284-F287 PolarHBondContact O-N 3.21Å; D285-F287 VanDerWaalsContact C-N 3.25Å; F287-S289 VanDerWaalsContact C-N 3.29Å; F287-S289 PolarHBondContact O-N 3.03Å; F287-E292 HydrophobicContact CB-CB 4.14Å; F287-E292 HydrophobicContact CD1-CB 4.27Å; F287-L293 HydrophobicContact CB-CB 4.2Å; F287-L293 HydrophobicContact CD1-CB 4.42Å; F287-L293 HydrophobicContact CD2-CB 3.92Å; F287-L293 HydrophobicContact CD2-CD1 3.71Å; F287-L293 HydrophobicContact CD2-CG 4.34Å; F287-L293 HydrophobicContact CE2-CB 4.49Å; F287-L293 HydrophobicContact CE2-CD1 3.49Å; F287-L293 VanDerWaalsContact CE2-CD1 3.49Å; F287-L293 HydrophobicContact CG-CB 3.89Å; F287-L293 HydrophobicContact CG-CD1 4.41Å; F287-L293 HydrophobicContact CZ-CD1 4.02Å; F287-Y296 VanDerWaalsContact CE1-CB 3.42Å; F287-Y296 AromaticContact CE1-CD1 3.83Å; F287-Y296 HydrophobicContact CE1-CD1 3.83Å; F287-Y296 HydrophobicContact CE1-CD2 4.29Å; F287-Y296 AromaticContact CE1-CG 3.58Å; F287-Y296 HydrophobicContact CE1-CG 3.58Å; F287-Y296 AromaticContact CZ-CD1 3.41Å; F287-Y296 HydrophobicContact CZ-CD1 3.41Å; F287-Y296 VanDerWaalsContact CZ-CD1 3.41Å; F287-Y296 HydrophobicContact CZ-CE1 4.07Å; F287-Y296 AromaticContact CZ-CG 3.7Å; F287-Y296 HydrophobicContact CZ-CG 3.7Å
288	K	95.6	Very high	97.6	Very high	143 Å²	143	44.6 Å²	44.6	62%	0.622	22%	0.216	S	C	*	.	S	Bend	trans	-77.5	-16.4	179.6	-57.5	175	-175.2	166.9	0	113.1	E292	K288-E292 WeakPolarHBondContact CB-OE2 3.28Å; K288-E292 WeakPolarHBondContact CG-OE2 3.17Å; K288-E292 PolarHBondContact N-OE2 3.24Å
289	S	96.5	Very high	97.8	Very high	27 Å²	27	43.3 Å²	43.3	19%	0.189	21%	0.208	C	C	.	.	S	Bend	trans	-163.6	160.6	-179.9	61.7	0	0	0	0	111.1	F287 K291 E292 L293	F287-S289 VanDerWaalsContact C-N 3.29Å; F287-S289 PolarHBondContact O-N 3.03Å; S289-K291 PolarHBondContact O-N 3.47Å; S289-E292 PolarHBondContact O-N 2.89Å; S289-E292 PolarHBondContact OG-N 2.89Å; S289-L293 PolarHBondContact O-N 3.25Å
290	P	98	Very high	97.9	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-53.6	-35.3	170.8	-27.1	35.7	0	0	0	113.4	Y193 E196 L197 E292 L293 A294 I374	Y193-P290 HydrophobicContact CD2-CG 4.17Å; Y193-P290 HydrophobicContact CE1-CB 4.45Å; Y193-P290 HydrophobicContact CE1-CG 4.37Å; Y193-P290 HydrophobicContact CE2-CG 3.68Å; E196-P290 HydrophobicContact CB-CG 4.18Å; E196-P290 HydrophobicContact CG-CB 4.13Å; E196-P290 HydrophobicContact CG-CG 3.72Å; L197-P290 HydrophobicContact CB-CB 4.16Å; L197-P290 HydrophobicContact CD1-CB 4.14Å; L197-P290 VanDerWaalsContact CD1-O 3.26Å; L197-P290 WeakPolarHBondContact CD1-O 3.34Å; P290-E292 VanDerWaalsContact C-N 3.33Å; P290-E292 PolarHBondContact O-N 2.95Å; P290-L293 WeakPolarHBondContact O-CB 3.35Å; P290-L293 PolarHBondContact O-N 2.81Å; P290-A294 PolarHBondContact O-N 3.35Å; P290-I374 HydrophobicContact CG-CG1 4.22Å
291	K	98.2	Very high	97.9	Very high	101 Å²	101	43.5 Å²	43.5	44%	0.439	20%	0.201	S	C	.	.	H	α-helix	trans	-62.4	-35.9	175.4	-172.7	173.8	-171.8	169.1	0	113.4	Y200 S289 K295	Y200-K291 HydrophobicContact CD1-CB 3.99Å; Y200-K291 HydrophobicContact CD1-CD 3.84Å; Y200-K291 HydrophobicContact CD1-CG 3.68Å; Y200-K291 HydrophobicContact CD2-CB 3.81Å; Y200-K291 HydrophobicContact CD2-CG 4.38Å; Y200-K291 HydrophobicContact CE1-CB 4.05Å; Y200-K291 HydrophobicContact CE1-CD 3.68Å; Y200-K291 HydrophobicContact CE1-CG 3.95Å; Y200-K291 HydrophobicContact CE2-CB 3.89Å; Y200-K291 HydrophobicContact CG-CB 3.86Å; Y200-K291 HydrophobicContact CG-CG 3.91Å; S289-K291 PolarHBondContact O-N 3.47Å; K291-K295 WeakPolarHBondContact O-CG 3.46Å; K291-K295 PolarHBondContact O-N 2.92Å; K291-K295 VanDerWaalsContact O-N 3.14Å
292	E	98.1	Very high	97.8	Very high	70 Å²	70	46.8 Å²	46.8	33%	0.327	24%	0.235	S	C	.	.	H	α-helix	trans	-72.9	-38.5	175.8	-76.5	-172.9	-178.9	0	0	111.7	F287 K288 S289 P290 A294 K295 Y296	F287-E292 HydrophobicContact CB-CB 4.14Å; F287-E292 HydrophobicContact CD1-CB 4.27Å; K288-E292 WeakPolarHBondContact CB-OE2 3.28Å; K288-E292 WeakPolarHBondContact CG-OE2 3.17Å; K288-E292 PolarHBondContact N-OE2 3.24Å; S289-E292 PolarHBondContact O-N 2.89Å; S289-E292 PolarHBondContact OG-N 2.89Å; P290-E292 VanDerWaalsContact C-N 3.33Å; P290-E292 PolarHBondContact O-N 2.95Å; E292-A294 VanDerWaalsContact C-N 3.35Å; E292-K295 PolarHBondContact O-N 3.19Å; E292-Y296 PolarHBondContact O-N 2.99Å
293	L	98.5	Very high	97.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-45.9	171.6	172.8	61.9	0	0	0	111	Y193 L197 I265 I282 A284 F287 S289 P290 K295 Y296 I297	Y193-L293 HydrophobicContact CE1-CD2 3.98Å; Y193-L293 WeakPolarHBondContact OH-CD2 3.43Å; L197-L293 HydrophobicContact CD1-CB 4.48Å; L197-L293 HydrophobicContact CD1-CD2 4.24Å; L197-L293 HydrophobicContact CD1-CG 4.34Å; L197-L293 HydrophobicContact CD2-CD2 4.24Å; I265-L293 HydrophobicContact CG2-CD1 4.45Å; I265-L293 HydrophobicContact CG2-CD2 4.13Å; I282-L293 HydrophobicContact CG2-CD1 3.66Å; A284-L293 HydrophobicContact CB-CD2 4.22Å; F287-L293 HydrophobicContact CB-CB 4.2Å; F287-L293 HydrophobicContact CD1-CB 4.42Å; F287-L293 HydrophobicContact CD2-CB 3.92Å; F287-L293 HydrophobicContact CD2-CD1 3.71Å; F287-L293 HydrophobicContact CD2-CG 4.34Å; F287-L293 HydrophobicContact CE2-CB 4.49Å; F287-L293 HydrophobicContact CE2-CD1 3.49Å; F287-L293 VanDerWaalsContact CE2-CD1 3.49Å; F287-L293 HydrophobicContact CG-CB 3.89Å; F287-L293 HydrophobicContact CG-CD1 4.41Å; F287-L293 HydrophobicContact CZ-CD1 4.02Å; S289-L293 PolarHBondContact O-N 3.25Å; P290-L293 WeakPolarHBondContact O-CB 3.35Å; P290-L293 PolarHBondContact O-N 2.81Å; L293-K295 PolarHBondContact O-N 3.13Å; L293-Y296 WeakPolarHBondContact O-CB 3.4Å; L293-Y296 PolarHBondContact O-N 2.69Å; L293-Y296 VanDerWaalsContact O-N 3.11Å; L293-I297 HydrophobicContact CD1-CD1 3.95Å; L293-I297 HydrophobicContact CD1-CG1 4.23Å; L293-I297 HydrophobicContact CG-CD1 3.91Å; L293-I297 WeakPolarHBondContact O-CG1 3.45Å; L293-I297 PolarHBondContact O-N 2.86Å
294	A	98.7	Very high	97.5	Very high	2 Å²	2	51.1 Å²	51.1	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-56.3	-47.9	176	0	0	0	0	0	112.3	L197 L201 P290 E292 Y296 I297 D298	L197-A294 HydrophobicContact CD1-CB 4.02Å; L201-A294 HydrophobicContact CB-CB 3.89Å; P290-A294 PolarHBondContact O-N 3.35Å; E292-A294 VanDerWaalsContact C-N 3.35Å; A294-Y296 VanDerWaalsContact C-N 3.27Å; A294-Y296 PolarHBondContact O-N 3.16Å; A294-I297 PolarHBondContact O-N 2.87Å; A294-D298 PolarHBondContact O-N 2.9Å
295	K	98.6	Very high	97.4	Very high	134 Å²	134	54.9 Å²	54.9	58%	0.583	28%	0.281	S	S	*	.	H	α-helix	trans	-58.8	-38.1	175.5	-74.8	178.3	177.6	-172.7	0	112.8	K291 E292 L293 D298 Y299	K291-K295 WeakPolarHBondContact O-CG 3.46Å; K291-K295 PolarHBondContact O-N 2.92Å; K291-K295 VanDerWaalsContact O-N 3.14Å; E292-K295 PolarHBondContact O-N 3.19Å; L293-K295 PolarHBondContact O-N 3.13Å; K295-D298 PolarHBondContact O-N 3.49Å; K295-Y299 PolarHBondContact O-N 3.23Å
296	Y	98.7	Very high	97.4	Very high	69 Å²	69	54.4 Å²	54.4	27%	0.271	28%	0.281	S	S	.	.	H	α-helix	trans	-69.8	-39.4	178.2	-174	-110.6	0	0	0	112.1	I282 F287 E292 L293 A294 D298 Y299 L300 Y310	I282-Y296 HydrophobicContact CD1-CD1 4.37Å; I282-Y296 HydrophobicContact CD1-CE1 4.18Å; I282-Y296 HydrophobicContact CG1-CE1 4.29Å; I282-Y296 HydrophobicContact CG2-CD1 4.4Å; F287-Y296 VanDerWaalsContact CE1-CB 3.42Å; F287-Y296 AromaticContact CE1-CD1 3.83Å; F287-Y296 HydrophobicContact CE1-CD1 3.83Å; F287-Y296 HydrophobicContact CE1-CD2 4.29Å; F287-Y296 AromaticContact CE1-CG 3.58Å; F287-Y296 HydrophobicContact CE1-CG 3.58Å; F287-Y296 AromaticContact CZ-CD1 3.41Å; F287-Y296 HydrophobicContact CZ-CD1 3.41Å; F287-Y296 VanDerWaalsContact CZ-CD1 3.41Å; F287-Y296 HydrophobicContact CZ-CE1 4.07Å; F287-Y296 AromaticContact CZ-CG 3.7Å; F287-Y296 HydrophobicContact CZ-CG 3.7Å; E292-Y296 PolarHBondContact O-N 2.99Å; L293-Y296 WeakPolarHBondContact O-CB 3.4Å; L293-Y296 PolarHBondContact O-N 2.69Å; L293-Y296 VanDerWaalsContact O-N 3.11Å; A294-Y296 VanDerWaalsContact C-N 3.27Å; A294-Y296 PolarHBondContact O-N 3.16Å; Y296-D298 VanDerWaalsContact C-N 3.32Å; Y296-D298 PolarHBondContact O-N 2.88Å; Y296-Y299 HydrophobicContact CD2-CD1 4.01Å; Y296-Y299 AromaticContact CE2-CD1 3.85Å; Y296-Y299 HydrophobicContact CE2-CD1 3.85Å; Y296-Y299 HydrophobicContact CE2-CE1 4.13Å; Y296-Y299 WeakPolarHBondContact O-CB 3.37Å; Y296-Y299 PolarHBondContact O-N 3.35Å; Y296-L300 HydrophobicContact CD1-CD1 4Å; Y296-L300 HydrophobicContact CD1-CG 4.41Å; Y296-L300 HydrophobicContact CE1-CD1 3.49Å; Y296-L300 VanDerWaalsContact CE1-CD1 3.49Å; Y296-L300 HydrophobicContact CE1-CG 4.02Å; Y296-L300 HydrophobicContact CE2-CG 4.49Å; Y296-L300 WeakPolarHBondContact O-CG 3.41Å; Y296-L300 PolarHBondContact O-N 3.25Å; Y296-Y310 WeakPolarHBondContact CE1-OH 3.29Å; Y296-Y310 PolarHBondContact OH-OH 3.43Å
297	I	98.6	Very high	97.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-42.1	173.1	-68	164.8	0	0	0	110.6	V177 L201 F237 I265 L293 A294 L300 N301	V177-I297 HydrophobicContact CG2-CD1 4.46Å; V177-I297 HydrophobicContact CG2-CG2 3.92Å; L201-I297 HydrophobicContact CD1-CG2 4.13Å; L201-I297 HydrophobicContact CD2-CB 4.23Å; L201-I297 HydrophobicContact CD2-CD1 3.52Å; L201-I297 HydrophobicContact CD2-CG1 4.48Å; L201-I297 HydrophobicContact CD2-CG2 4.05Å; F237-I297 HydrophobicContact CD2-CG2 3.76Å; F237-I297 HydrophobicContact CE2-CG2 3.77Å; F237-I297 HydrophobicContact CG-CG2 4.24Å; F237-I297 HydrophobicContact CZ-CG2 4.25Å; I265-I297 HydrophobicContact CD1-CD1 3.58Å; I265-I297 HydrophobicContact CD1-CG1 4.33Å; L293-I297 HydrophobicContact CD1-CD1 3.95Å; L293-I297 HydrophobicContact CD1-CG1 4.23Å; L293-I297 HydrophobicContact CG-CD1 3.91Å; L293-I297 WeakPolarHBondContact O-CG1 3.45Å; L293-I297 PolarHBondContact O-N 2.86Å; A294-I297 PolarHBondContact O-N 2.87Å; I297-L300 PolarHBondContact O-N 2.65Å; I297-N301 WeakPolarHBondContact O-CB 3.26Å; I297-N301 PolarHBondContact O-N 3.39Å
298	D	98.3	Very high	97.3	Very high	64 Å²	64	49.2 Å²	49.2	34%	0.342	26%	0.255	S	S	.	.	H	α-helix	trans	-63.3	-41.2	175	-77.8	-26.9	0	0	0	112.7	K176 A294 K295 Y296 N301 G302	K176-D298 WeakPolarHBondContact CE-OD1 3.39Å; K176-D298 IonicContact NZ-OD1 2.68Å; K176-D298 PolarHBondContact NZ-OD1 3.38Å; A294-D298 PolarHBondContact O-N 2.9Å; K295-D298 PolarHBondContact O-N 3.49Å; Y296-D298 VanDerWaalsContact C-N 3.32Å; Y296-D298 PolarHBondContact O-N 2.88Å; D298-N301 PolarHBondContact O-N 3.31Å; D298-G302 PolarHBondContact O-N 2.88Å
299	Y	98.3	Very high	97.3	Very high	116 Å²	116	46.8 Å²	46.8	46%	0.455	25%	0.246	S	C	.	.	H	α-helix	trans	-57.8	-50.3	172.9	160.4	-101.8	0	0	0	111.6	K295 Y296 N301 G302 N303 A306	K295-Y299 PolarHBondContact O-N 3.23Å; Y296-Y299 HydrophobicContact CD2-CD1 4.01Å; Y296-Y299 AromaticContact CE2-CD1 3.85Å; Y296-Y299 HydrophobicContact CE2-CD1 3.85Å; Y296-Y299 HydrophobicContact CE2-CE1 4.13Å; Y296-Y299 WeakPolarHBondContact O-CB 3.37Å; Y296-Y299 PolarHBondContact O-N 3.35Å; Y299-N301 VanDerWaalsContact C-N 3.3Å; Y299-N301 PolarHBondContact O-N 2.89Å; Y299-G302 PolarHBondContact O-N 3.28Å; Y299-N303 HydrophobicContact CD2-CB 4.48Å; Y299-N303 HydrophobicContact CE2-CB 4.09Å; Y299-N303 WeakPolarHBondContact O-CB 3.44Å; Y299-N303 PolarHBondContact O-N 2.02Å; Y299-N303 PolarHBondContact OH-ND2 3.3Å; Y299-A306 HydrophobicContact CE1-CB 3.98Å
300	L	97.8	Very high	97.3	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-36.2	178.3	-68.9	-179.7	0	0	0	111.8	F237 I282 Y296 I297 G302 N303 A306 Y310	F237-L300 HydrophobicContact CE1-CB 4.09Å; F237-L300 HydrophobicContact CE1-CD1 3.86Å; F237-L300 HydrophobicContact CZ-CB 3.66Å; F237-L300 HydrophobicContact CZ-CD1 4.3Å; I282-L300 HydrophobicContact CD1-CD1 3.59Å; I282-L300 HydrophobicContact CG1-CD1 4.49Å; Y296-L300 HydrophobicContact CD1-CD1 4Å; Y296-L300 HydrophobicContact CD1-CG 4.41Å; Y296-L300 HydrophobicContact CE1-CD1 3.49Å; Y296-L300 VanDerWaalsContact CE1-CD1 3.49Å; Y296-L300 HydrophobicContact CE1-CG 4.02Å; Y296-L300 HydrophobicContact CE2-CG 4.49Å; Y296-L300 WeakPolarHBondContact O-CG 3.41Å; Y296-L300 PolarHBondContact O-N 3.25Å; I297-L300 PolarHBondContact O-N 2.65Å; L300-G302 VanDerWaalsContact C-N 3.27Å; L300-G302 PolarHBondContact O-N 2.76Å; L300-N303 CarbonylContact O-C 3.52Å; L300-N303 PolarHBondContact O-N 3.24Å; L300-A306 HydrophobicContact CD2-CB 3.7Å; L300-Y310 HydrophobicContact CD1-CD2 4.23Å; L300-Y310 HydrophobicContact CD1-CE2 3.6Å; L300-Y310 HydrophobicContact CD2-CE2 3.97Å; L300-Y310 HydrophobicContact CG-CE2 4.47Å
301	N	96.1	Very high	97	Very high	41 Å²	41	47 Å²	47	22%	0.219	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-36	176.5	-178.3	62.7	0	0	0	112.5	K176 K236 F237 I297 D298 Y299	K176-N301 WeakPolarHBondContact CE-ND2 3.36Å; K176-N301 HydrophobicContact CG-CB 4.43Å; K236-N301 WeakPolarHBondContact CD-OD1 3.45Å; K236-N301 PolarHBondContact NZ-O 3.23Å; K236-N301 PolarHBondContact NZ-OD1 3.41Å; F237-N301 HydrophobicContact CE2-CB 4.45Å; I297-N301 WeakPolarHBondContact O-CB 3.26Å; I297-N301 PolarHBondContact O-N 3.39Å; D298-N301 PolarHBondContact O-N 3.31Å; Y299-N301 VanDerWaalsContact C-N 3.3Å; Y299-N301 PolarHBondContact O-N 2.89Å
302	G	95.7	Very high	96.7	Very high	70 Å²	70	46 Å²	46	72%	0.722	24%	0.238	S	C	*	.	H	α-helix	trans	-87.1	-14.9	176.6	0	0	0	0	0	115.1	D298 Y299 L300	D298-G302 PolarHBondContact O-N 2.88Å; Y299-G302 PolarHBondContact O-N 3.28Å; L300-G302 VanDerWaalsContact C-N 3.27Å; L300-G302 PolarHBondContact O-N 2.76Å
303	N	97.2	Very high	96.6	Very high	52 Å²	52	44 Å²	44	28%	0.278	23%	0.227	S	C	.	.			trans	-119.4	88.3	-179.7	-171.9	-27.5	0	0	0	110.7	Y299 L300 T305 A306 Y307	Y299-N303 HydrophobicContact CD2-CB 4.48Å; Y299-N303 HydrophobicContact CE2-CB 4.09Å; Y299-N303 WeakPolarHBondContact O-CB 3.44Å; Y299-N303 PolarHBondContact O-N 2.02Å; Y299-N303 PolarHBondContact OH-ND2 3.3Å; L300-N303 CarbonylContact O-C 3.52Å; L300-N303 PolarHBondContact O-N 3.24Å; N303-T305 VanDerWaalsContact C-N 3.26Å; N303-T305 PolarHBondContact O-N 3.32Å; N303-T305 PolarHBondContact OD1-N 2.66Å; N303-A306 HydrophobicContact CB-CB 4.15Å; N303-A306 PolarHBondContact O-N 2.87Å; N303-A306 PolarHBondContact OD1-N 2.71Å; N303-Y307 PolarHBondContact O-N 3.15Å
304	L	94.6	Very high	96.5	Very high	42 Å²	42	44.2 Å²	44.2	22%	0.22	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-32.6	-176.7	-60.3	-174.2	0	0	0	112.9	M167 A170 S171 Y307 I308	M167-L304 HydrophobicContact SD-CB 3.9Å; M167-L304 HydrophobicContact SD-CD1 4.44Å; A170-L304 HydrophobicContact CB-CB 4.48Å; A170-L304 HydrophobicContact CB-CD1 4.43Å; A170-L304 HydrophobicContact CB-CD2 4.15Å; S171-L304 VanDerWaalsContact OG-CD1 3.29Å; S171-L304 WeakPolarHBondContact OG-CD1 3.04Å; L304-Y307 PolarHBondContact O-N 2.72Å; L304-I308 WeakPolarHBondContact O-CB 3.09Å; L304-I308 WeakPolarHBondContact O-CD1 3.13Å; L304-I308 WeakPolarHBondContact O-CG1 3.39Å; L304-I308 PolarHBondContact O-N 3.03Å
305	T	95.4	Very high	96.4	Very high	79 Å²	79	45.2 Å²	45.2	49%	0.485	23%	0.233	S	C	.	.	H	α-helix	trans	-61.1	-48.4	175.8	-54.7	0	0	0	0	110.8	N303 Y307 I308 E309	N303-T305 VanDerWaalsContact C-N 3.26Å; N303-T305 PolarHBondContact O-N 3.32Å; N303-T305 PolarHBondContact OD1-N 2.66Å; T305-Y307 VanDerWaalsContact C-N 3.34Å; T305-Y307 PolarHBondContact O-N 2.81Å; T305-I308 PolarHBondContact O-N 3.05Å; T305-E309 PolarHBondContact O-N 2.75Å
306	A	96.8	Very high	96.3	Very high	19 Å²	19	42.4 Å²	42.4	16%	0.157	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-37.9	176.7	0	0	0	0	0	112.2	Y299 L300 N303 E309	Y299-A306 HydrophobicContact CE1-CB 3.98Å; L300-A306 HydrophobicContact CD2-CB 3.7Å; N303-A306 HydrophobicContact CB-CB 4.15Å; N303-A306 PolarHBondContact O-N 2.87Å; N303-A306 PolarHBondContact OD1-N 2.71Å; A306-E309 PolarHBondContact O-N 2.8Å
307	Y	96.8	Very high	96.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-40.4	175.4	174.9	-111.3	0	0	0	112.6	A170 K236 F237 H261 V263 N303 L304 T305 E309 Y310 Y311	A170-Y307 HydrophobicContact CB-CD1 3.84Å; A170-Y307 HydrophobicContact CB-CE1 3.98Å; K236-Y307 VanDerWaalsContact CA-OH 3.26Å; K236-Y307 WeakPolarHBondContact CA-OH 2.96Å; K236-Y307 HydrophobicContact CB-CE2 3.77Å; K236-Y307 HydrophobicContact CG-CE1 4.3Å; K236-Y307 HydrophobicContact CG-CE2 4.39Å; K236-Y307 WeakPolarHBondContact O-CE2 3.24Å; K236-Y307 PolarHBondContact O-OH 3.16Å; F237-Y307 HydrophobicContact CD1-CE2 4.47Å; F237-Y307 AromaticContact CE1-CD2 3.88Å; F237-Y307 HydrophobicContact CE1-CD2 3.88Å; F237-Y307 AromaticContact CE1-CE2 3.92Å; F237-Y307 HydrophobicContact CE1-CE2 3.92Å; F237-Y307 HydrophobicContact CE2-CE2 4.44Å; F237-Y307 AromaticContact CZ-CD2 3.72Å; F237-Y307 HydrophobicContact CZ-CD2 3.72Å; F237-Y307 AromaticContact CZ-CE2 3.89Å; F237-Y307 HydrophobicContact CZ-CE2 3.89Å; H261-Y307 PolarHBondContact O-OH 2.69Å; V263-Y307 HydrophobicContact CB-CE2 4.34Å; V263-Y307 HydrophobicContact CG2-CD2 3.94Å; V263-Y307 HydrophobicContact CG2-CE2 3.44Å; V263-Y307 VanDerWaalsContact CG2-CE2 3.44Å; N303-Y307 PolarHBondContact O-N 3.15Å; L304-Y307 PolarHBondContact O-N 2.72Å; T305-Y307 VanDerWaalsContact C-N 3.34Å; T305-Y307 PolarHBondContact O-N 2.81Å; Y307-E309 VanDerWaalsContact C-N 3.3Å; Y307-E309 PolarHBondContact O-N 3.03Å; Y307-Y310 WeakPolarHBondContact O-CB 3.42Å; Y307-Y310 PolarHBondContact O-N 2.87Å; Y307-Y311 AromaticContact CD1-CE1 3.75Å; Y307-Y311 HydrophobicContact CD1-CE1 3.75Å; Y307-Y311 AromaticContact CD1-CZ 3.95Å; Y307-Y311 WeakPolarHBondContact CD1-OH 3.36Å; Y307-Y311 HydrophobicContact CD2-CE1 4.47Å; Y307-Y311 AromaticContact CE1-CE1 3.44Å; Y307-Y311 HydrophobicContact CE1-CE1 3.44Å; Y307-Y311 VanDerWaalsContact CE1-CE1 3.44Å; Y307-Y311 AromaticContact CE1-CZ 3.72Å; Y307-Y311 WeakPolarHBondContact CE1-OH 3.27Å; Y307-Y311 HydrophobicContact CE2-CE1 4.23Å; Y307-Y311 HydrophobicContact CG-CE1 4.24Å; Y307-Y311 AromaticContact CZ-CE1 3.68Å; Y307-Y311 VanDerWaalsContact O-CE1 3.23Å; Y307-Y311 WeakPolarHBondContact O-CE1 3.36Å
308	I	96	Very high	96.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-32.4	-179.2	-73.5	160.7	0	0	0	112.9	L163 W166 M167 A170 L304 T305 Y310 Y311 K312	L163-I308 HydrophobicContact CD1-CD1 4.21Å; L163-I308 HydrophobicContact CD1-CG2 4.24Å; W166-I308 HydrophobicContact CB-CD1 4.05Å; W166-I308 HydrophobicContact CB-CG1 4.08Å; W166-I308 HydrophobicContact CB-CG2 3.67Å; W166-I308 HydrophobicContact CG-CG2 3.99Å; M167-I308 HydrophobicContact CB-CD1 4.44Å; M167-I308 HydrophobicContact CE-CD1 3.59Å; M167-I308 HydrophobicContact CG-CD1 3.74Å; M167-I308 HydrophobicContact SD-CD1 3.31Å; M167-I308 WeakPolarHBondContact SD-CD1 3.19Å; A170-I308 HydrophobicContact CB-CD1 4.25Å; A170-I308 HydrophobicContact CB-CG1 4.09Å; L304-I308 WeakPolarHBondContact O-CB 3.09Å; L304-I308 WeakPolarHBondContact O-CD1 3.13Å; L304-I308 WeakPolarHBondContact O-CG1 3.39Å; L304-I308 PolarHBondContact O-N 3.03Å; T305-I308 PolarHBondContact O-N 3.05Å; I308-Y310 PolarHBondContact O-N 2.86Å; I308-Y311 VanDerWaalsContact CA-CZ 3.48Å; I308-Y311 HydrophobicContact CB-CE2 4.24Å; I308-Y311 HydrophobicContact CG1-CE2 4.03Å; I308-Y311 WeakPolarHBondContact CG1-OH 3.13Å; I308-Y311 HydrophobicContact CG2-CE2 4.18Å; I308-Y311 PolarHBondContact O-N 3.11Å; I308-Y311 VanDerWaalsContact O-N 3.15Å; I308-K312 HydrophobicContact CG2-CG 4.31Å; I308-K312 PolarHBondContact O-N 3.48Å
309	E	96.5	Very high	95.9	Very high	93 Å²	93	43 Å²	43	44%	0.435	23%	0.228	S	C	.	.	H	α-helix	trans	-54.9	-29.4	177.5	-61.2	-51.3	134.2	0	0	112.5	T305 A306 Y307 Y311 K312	T305-E309 PolarHBondContact O-N 2.75Å; A306-E309 PolarHBondContact O-N 2.8Å; Y307-E309 VanDerWaalsContact C-N 3.3Å; Y307-E309 PolarHBondContact O-N 3.03Å; E309-Y311 PolarHBondContact O-N 3.5Å; E309-K312 VanDerWaalsContact OE1-CE 3.22Å; E309-K312 WeakPolarHBondContact OE1-CE 2.94Å; E309-K312 IonicContact OE1-NZ 2.81Å; E309-K312 PolarHBondContact OE1-NZ 3.15Å; E309-K312 WeakPolarHBondContact OE2-CD 3.44Å; E309-K312 WeakPolarHBondContact OE2-CE 3.45Å; E309-K312 IonicContact OE2-NZ 2.8Å; E309-K312 PolarHBondContact OE2-NZ 2.79Å
310	Y	97	Very high	95.8	Very high	31 Å²	31	38.6 Å²	38.6	12%	0.122	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.4	-177.7	-79.5	-85.6	0	0	0	115.9	V263 G279 F281 I282 Y296 L300 Y307 I308 W313	V263-Y310 HydrophobicContact CG1-CD1 3.57Å; V263-Y310 HydrophobicContact CG1-CD2 4.49Å; V263-Y310 HydrophobicContact CG1-CE1 4.2Å; V263-Y310 HydrophobicContact CG1-CG 3.74Å; V263-Y310 VanDerWaalsContact CG2-CB 3.42Å; V263-Y310 HydrophobicContact CG2-CG 3.99Å; G279-Y310 VanDerWaalsContact O-CA 3.31Å; G279-Y310 WeakPolarHBondContact O-CA 2.94Å; G279-Y310 WeakPolarHBondContact O-CD1 3.3Å; F281-Y310 WeakPolarHBondContact O-CE1 3.42Å; I282-Y310 HydrophobicContact CG1-CD1 4.39Å; I282-Y310 HydrophobicContact CG1-CE1 3.64Å; Y296-Y310 WeakPolarHBondContact CE1-OH 3.29Å; Y296-Y310 PolarHBondContact OH-OH 3.43Å; L300-Y310 HydrophobicContact CD1-CD2 4.23Å; L300-Y310 HydrophobicContact CD1-CE2 3.6Å; L300-Y310 HydrophobicContact CD2-CE2 3.97Å; L300-Y310 HydrophobicContact CG-CE2 4.47Å; Y307-Y310 WeakPolarHBondContact O-CB 3.42Å; Y307-Y310 PolarHBondContact O-N 2.87Å; I308-Y310 PolarHBondContact O-N 2.86Å; Y310-W313 PolarHBondContact O-NE1 3.49Å
311	Y	91.2	Very high	95.6	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.016	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.6	9.1	179.3	46.5	-94.8	0	0	0	114.3	W166 A170 V263 Y307 I308 E309 W313 K314	W166-Y311 HydrophobicContact CB-CE2 4.36Å; W166-Y311 HydrophobicContact CD2-CD2 4.1Å; W166-Y311 HydrophobicContact CD2-CE2 4.04Å; W166-Y311 AromaticContact CE3-CD2 3.53Å; W166-Y311 HydrophobicContact CE3-CD2 3.53Å; W166-Y311 AromaticContact CE3-CE2 3.51Å; W166-Y311 HydrophobicContact CE3-CE2 3.51Å; W166-Y311 HydrophobicContact CG-CE2 4.43Å; W166-Y311 HydrophobicContact CH2-CD2 4.45Å; W166-Y311 AromaticContact CZ3-CD2 3.76Å; W166-Y311 HydrophobicContact CZ3-CD2 3.76Å; W166-Y311 HydrophobicContact CZ3-CE2 4.17Å; A170-Y311 WeakPolarHBondContact CB-OH 3.39Å; V263-Y311 HydrophobicContact CG2-CD1 4.23Å; Y307-Y311 AromaticContact CD1-CE1 3.75Å; Y307-Y311 HydrophobicContact CD1-CE1 3.75Å; Y307-Y311 AromaticContact CD1-CZ 3.95Å; Y307-Y311 WeakPolarHBondContact CD1-OH 3.36Å; Y307-Y311 HydrophobicContact CD2-CE1 4.47Å; Y307-Y311 AromaticContact CE1-CE1 3.44Å; Y307-Y311 HydrophobicContact CE1-CE1 3.44Å; Y307-Y311 VanDerWaalsContact CE1-CE1 3.44Å; Y307-Y311 AromaticContact CE1-CZ 3.72Å; Y307-Y311 WeakPolarHBondContact CE1-OH 3.27Å; Y307-Y311 HydrophobicContact CE2-CE1 4.23Å; Y307-Y311 HydrophobicContact CG-CE1 4.24Å; Y307-Y311 AromaticContact CZ-CE1 3.68Å; Y307-Y311 VanDerWaalsContact O-CE1 3.23Å; Y307-Y311 WeakPolarHBondContact O-CE1 3.36Å; I308-Y311 VanDerWaalsContact CA-CZ 3.48Å; I308-Y311 HydrophobicContact CB-CE2 4.24Å; I308-Y311 HydrophobicContact CG1-CE2 4.03Å; I308-Y311 WeakPolarHBondContact CG1-OH 3.13Å; I308-Y311 HydrophobicContact CG2-CE2 4.18Å; I308-Y311 PolarHBondContact O-N 3.11Å; I308-Y311 VanDerWaalsContact O-N 3.15Å; E309-Y311 PolarHBondContact O-N 3.5Å; Y311-W313 PolarHBondContact O-N 2.68Å; Y311-K314 WeakPolarHBondContact O-CB 3.25Å; Y311-K314 WeakPolarHBondContact O-CG 3.08Å; Y311-K314 PolarHBondContact O-N 2.84Å; Y311-K314 VanDerWaalsContact O-N 3.1Å
312	K	92.8	Very high	95.4	Very high	80 Å²	80	39 Å²	39	35%	0.348	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-60.1	-27.4	168.8	-74.7	-171.6	-176.7	167.7	0	113.6	I308 E309 K314 D315	I308-K312 HydrophobicContact CG2-CG 4.31Å; I308-K312 PolarHBondContact O-N 3.48Å; E309-K312 VanDerWaalsContact OE1-CE 3.22Å; E309-K312 WeakPolarHBondContact OE1-CE 2.94Å; E309-K312 IonicContact OE1-NZ 2.81Å; E309-K312 PolarHBondContact OE1-NZ 3.15Å; E309-K312 WeakPolarHBondContact OE2-CD 3.44Å; E309-K312 WeakPolarHBondContact OE2-CE 3.45Å; E309-K312 IonicContact OE2-NZ 2.8Å; E309-K312 PolarHBondContact OE2-NZ 2.79Å; K312-K314 PolarHBondContact O-N 2.78Å; K312-D315 PolarHBondContact O-N 3.03Å; K312-D315 VanDerWaalsContact O-N 3.1Å
313	W	96	Very high	95.2	Very high	27 Å²	27	37 Å²	37	10%	0.102	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-55.1	-23.6	175.3	65.5	-96	0	0	0	112.5	L152 V258 P277 Y310 Y311 D315 N316 Y317	L152-W313 HydrophobicContact CD1-CE3 4.21Å; L152-W313 HydrophobicContact CD1-CH2 4.23Å; L152-W313 HydrophobicContact CD1-CZ3 3.77Å; L152-W313 HydrophobicContact CD2-CH2 4.13Å; L152-W313 HydrophobicContact CD2-CZ3 4.03Å; V258-W313 HydrophobicContact CB-CH2 4.05Å; V258-W313 HydrophobicContact CB-CZ2 4.09Å; V258-W313 HydrophobicContact CG2-CH2 4.28Å; P277-W313 HydrophobicContact CB-CB 3.87Å; P277-W313 HydrophobicContact CB-CG 4.17Å; P277-W313 HydrophobicContact CG-CB 4.08Å; P277-W313 HydrophobicContact CG-CD2 4.01Å; P277-W313 HydrophobicContact CG-CE3 3.94Å; P277-W313 HydrophobicContact CG-CG 4.09Å; Y310-W313 PolarHBondContact O-NE1 3.49Å; Y311-W313 PolarHBondContact O-N 2.68Å; W313-D315 PolarHBondContact O-N 2.68Å; W313-N316 PolarHBondContact O-N 3.45Å; W313-Y317 HydrophobicContact CE3-CD2 4.29Å; W313-Y317 HydrophobicContact CE3-CG 4.46Å; W313-Y317 WeakPolarHBondContact O-CD2 3.45Å; W313-Y317 PolarHBondContact O-N 2.63Å; W313-Y317 VanDerWaalsContact O-N 3.09Å
314	K	95.7	Very high	95	Very high	6 Å²	6	35 Å²	35	3%	0.026	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-62.6	-21.7	177.9	-66.3	-173.5	165.8	-60.9	0	115.1	R155 W166 V258 E259 Y311 K312 N316 Y317	R155-K314 PolarHBondContact NE-O 2.87Å; W166-K314 HydrophobicContact CH2-CB 4.17Å; W166-K314 HydrophobicContact CH2-CD 4.37Å; V258-K314 VanDerWaalsContact C-NZ 3.31Å; V258-K314 WeakPolarHBondContact O-CE 3.49Å; V258-K314 PolarHBondContact O-NZ 2.03Å; E259-K314 IonicContact OE1-NZ 3.98Å; E259-K314 IonicContact OE2-NZ 3.52Å; E259-K314 PolarHBondContact OE2-NZ 3.28Å; Y311-K314 WeakPolarHBondContact O-CB 3.25Å; Y311-K314 WeakPolarHBondContact O-CG 3.08Å; Y311-K314 PolarHBondContact O-N 2.84Å; Y311-K314 VanDerWaalsContact O-N 3.1Å; K312-K314 PolarHBondContact O-N 2.78Å; K314-N316 PolarHBondContact O-N 3.32Å; K314-Y317 CarbonylContact C-O 3.51Å
315	D	96	Very high	95	Very high	23 Å²	23	33 Å²	33	12%	0.123	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-66.7	-25.6	172.9	-81.9	-10.8	0	0	0	111.3	P158 L159 T161 K312 W313	P158-D315 CarbonylContact C-O 3.56Å; P158-D315 WeakPolarHBondContact CA-O 3.27Å; L159-D315 HydrophobicContact CB-CB 4.3Å; L159-D315 PolarHBondContact N-O 3.19Å; L159-D315 WeakPolarHBondContact O-CB 3.5Å; T161-D315 WeakPolarHBondContact CB-OD1 3.39Å; T161-D315 PolarHBondContact N-OD1 3.17Å; T161-D315 PolarHBondContact N-OD2 2.84Å; T161-D315 VanDerWaalsContact N-OD2 3.16Å; T161-D315 PolarHBondContact OG1-OD1 2.93Å; K312-D315 PolarHBondContact O-N 3.03Å; K312-D315 VanDerWaalsContact O-N 3.1Å; W313-D315 PolarHBondContact O-N 2.68Å
316	N	97	Very high	95	Very high	75 Å²	75	29.3 Å²	29.3	40%	0.401	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-21.1	-177.6	-60.7	-61.4	0	0	0	113.5	L154 R155 W313 K314	L154-N316 CarbonylContact C-O 3.56Å; L154-N316 WeakPolarHBondContact CA-O 3.42Å; R155-N316 PolarHBondContact N-O 2.98Å; W313-N316 PolarHBondContact O-N 3.45Å; K314-N316 PolarHBondContact O-N 3.32Å
317	Y	97.3	Very high	95.1	Very high	78 Å²	78	29.2 Å²	29.2	31%	0.306	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.6	-176.7	-54.5	-95.3	0	0	0	112.5	L152 K153 L154 R155 P277 W313 K314	L152-Y317 HydrophobicContact CB-CD1 4.23Å; K153-Y317 CarbonylContact O-C 3.57Å; K153-Y317 WeakPolarHBondContact O-CA 3.49Å; L154-Y317 HydrophobicContact CD2-CD1 3.77Å; L154-Y317 HydrophobicContact CD2-CE1 3.25Å; L154-Y317 HydrophobicContact CD2-CE2 4.32Å; L154-Y317 HydrophobicContact CD2-CG 4.48Å; L154-Y317 HydrophobicContact CG-CD1 4.15Å; L154-Y317 HydrophobicContact CG-CE1 3.77Å; R155-Y317 PolarHBondContact NE-O 3.42Å; R155-Y317 VanDerWaalsContact NE-O 3.13Å; P277-Y317 HydrophobicContact CG-CD2 4.11Å; P277-Y317 HydrophobicContact CG-CE2 4.25Å; W313-Y317 HydrophobicContact CE3-CD2 4.29Å; W313-Y317 HydrophobicContact CE3-CG 4.46Å; W313-Y317 WeakPolarHBondContact O-CD2 3.45Å; W313-Y317 PolarHBondContact O-N 2.63Å; W313-Y317 VanDerWaalsContact O-N 3.09Å; K314-Y317 CarbonylContact C-O 3.51Å
318	E	95.7	Very high	95.1	Very high	55 Å²	55	31.4 Å²	31.4	26%	0.257	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.2	166.6	57	-178	144.5	0	0	109.5	L152 K153 R155 E259	L152-E318 WeakPolarHBondContact CA-O 3.34Å; K153-E318 HydrophobicContact CD-CG 3.85Å; K153-E318 VanDerWaalsContact CE-CG 3.48Å; K153-E318 WeakPolarHBondContact CE-OE1 3.47Å; K153-E318 WeakPolarHBondContact CE-OE2 3.48Å; K153-E318 HydrophobicContact CG-CG 3.33Å; K153-E318 PolarHBondContact N-O 3.17Å; K153-E318 IonicContact NZ-OE1 3.86Å; K153-E318 PolarHBondContact NZ-OE1 3.3Å; K153-E318 IonicContact NZ-OE2 3.23Å; K153-E318 PolarHBondContact NZ-OE2 3.29Å; K153-E318 PolarHBondContact O-N 2.98Å; R155-E318 HydrophobicContact CG-CB 4.35Å; R155-E318 HydrophobicContact CG-CG 4.27Å; E259-E318 WeakPolarHBondContact OE1-CA 3.46Å
319	A	94.9	Very high	95.2	Very high	13 Å²	13	31.4 Å²	31.4	11%	0.107	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.6	177	0	0	0	0	0	112.1	L152 V258 E259	L152-A319 HydrophobicContact CD2-CB 3.64Å; V258-A319 HydrophobicContact CG2-CB 3.48Å; V258-A319 VanDerWaalsContact CG2-CB 3.48Å; E259-A319 HydrophobicContact CG-CB 4.05Å; E259-A319 PolarHBondContact OE1-N 3.1Å
320	V	94.8	Very high	95.3	Very high	22 Å²	22	27 Å²	27	13%	0.133	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	107.1	161.5	179.4	0	0	0	0	106.7	G150 Y151 K153	G150-V320 WeakPolarHBondContact CA-O 3.44Å; Y151-V320 HydrophobicContact CD1-CB 3.99Å; Y151-V320 HydrophobicContact CD1-CG1 4.23Å; Y151-V320 HydrophobicContact CD2-CB 4.26Å; Y151-V320 HydrophobicContact CD2-CG2 4.2Å; Y151-V320 HydrophobicContact CE1-CB 3.65Å; Y151-V320 HydrophobicContact CE1-CG1 3.54Å; Y151-V320 HydrophobicContact CE1-CG2 4.16Å; Y151-V320 HydrophobicContact CE2-CB 3.96Å; Y151-V320 HydrophobicContact CE2-CG2 3.62Å; Y151-V320 HydrophobicContact CG-CB 4.28Å; Y151-V320 PolarHBondContact N-O 2.93Å; Y151-V320 VanDerWaalsContact N-O 3.11Å; Y151-V320 PolarHBondContact O-N 3.4Å; K153-V320 HydrophobicContact CD-CG2 4.09Å; K153-V320 HydrophobicContact CG-CG2 4.21Å
321	P	93.2	Very high	95.4	Very high	38 Å²	38	26.6 Å²	26.6	25%	0.247	14%	0.137	C	C	.	.			trans	-75.2	171.6	-177.1	33.1	-36.5	0	0	0	111.4	N256 G324	N256-P321 WeakPolarHBondContact OD1-CB 3.45Å; P321-G324 WeakPolarHBondContact O-CA 3.13Å; P321-G324 PolarHBondContact O-N 2.92Å
322	F	92	Very high	95.7	Very high	12 Å²	12	30.2 Å²	30.2	5%	0.053	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	139.7	168.1	-176.2	-91.1	0	0	0	110.1	Y53 F149 T219 E252 N256 F326	Y53-F322 AromaticContact CE1-CZ 3.93Å; Y53-F322 HydrophobicContact CE1-CZ 3.93Å; F149-F322 HydrophobicContact CB-CD2 4.4Å; F149-F322 AromaticContact CD1-CD2 3.84Å; F149-F322 HydrophobicContact CD1-CD2 3.84Å; F149-F322 HydrophobicContact CD1-CE2 4.08Å; F149-F322 WeakPolarHBondContact O-CA 3.34Å; F149-F322 VanDerWaalsContact O-CB 3.23Å; F149-F322 WeakPolarHBondContact O-CB 3.27Å; F149-F322 PolarHBondContact O-N 3.39Å; T219-F322 HydrophobicContact CG2-CD1 3.52Å; T219-F322 HydrophobicContact CG2-CE1 3.63Å; E252-F322 HydrophobicContact CB-CB 3.54Å; E252-F322 HydrophobicContact CB-CG 4.1Å; N256-F322 PolarHBondContact OD1-N 2.89Å; F322-F326 AromaticContact CE2-CE2 3.72Å; F322-F326 HydrophobicContact CE2-CE2 3.72Å; F322-F326 AromaticContact CE2-CZ 3.66Å; F322-F326 HydrophobicContact CE2-CZ 3.66Å; F322-F326 AromaticContact CZ-CE2 3.63Å; F322-F326 HydrophobicContact CZ-CE2 3.63Å; F322-F326 AromaticContact CZ-CZ 3.84Å; F322-F326 HydrophobicContact CZ-CZ 3.84Å
323	P	91.9	Very high	96	Very high	28 Å²	28	26.4 Å²	26.4	18%	0.182	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.3	22.6	6.9	36.2	-36	0	0	0	115.4	Y62 G325 F326	Y62-P323 HydrophobicContact CE1-CB 4.29Å; Y62-P323 HydrophobicContact CE1-CG 4.3Å; Y62-P323 WeakPolarHBondContact OH-CG 3.41Å; P323-G325 PolarHBondContact O-N 2.85Å; P323-F326 HydrophobicContact CB-CD2 3.64Å; P323-F326 HydrophobicContact CB-CE2 3.88Å; P323-F326 WeakPolarHBondContact O-CB 3.49Å; P323-F326 PolarHBondContact O-N 2.74Å
324	G	92.4	Very high	96.1	Very high	11 Å²	11	25.1 Å²	25.1	11%	0.113	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.8	-170.3	0	0	0	0	0	115.8	P321 F326 H327	P321-G324 WeakPolarHBondContact O-CA 3.13Å; P321-G324 PolarHBondContact O-N 2.92Å; G324-F326 VanDerWaalsContact C-N 3.26Å; G324-F326 PolarHBondContact O-N 2.89Å; G324-H327 WeakPolarHBondContact O-CB 3.29Å; G324-H327 PolarHBondContact O-CD2 3.3Å; G324-H327 PolarHBondContact O-N 3.37Å
325	G	95.5	Very high	96.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70.7	-15.5	174.6	0	0	0	0	0	114.9	P148 P323 H327 I328 G329	P148-G325 VanDerWaalsContact O-CA 3.27Å; P148-G325 WeakPolarHBondContact O-CA 3.45Å; P323-G325 PolarHBondContact O-N 2.85Å; G325-H327 PolarHBondContact O-N 3.3Å; G325-I328 WeakPolarHBondContact O-CB 3.44Å; G325-I328 PolarHBondContact O-N 3.46Å; G325-I328 VanDerWaalsContact O-N 3.07Å; G325-G329 PolarHBondContact O-N 3.25Å
326	F	96.4	Very high	96.4	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-63.6	-27.5	169.2	-70	-36.8	0	0	0	112.4	Y53 A56 I58 Y62 F112 M114 C147 F322 P323 G324 I328 G329 M330	Y53-F326 AromaticContact CD1-CE2 3.92Å; Y53-F326 HydrophobicContact CD1-CE2 3.92Å; Y53-F326 AromaticContact CD1-CZ 3.72Å; Y53-F326 HydrophobicContact CD1-CZ 3.72Å; Y53-F326 AromaticContact CE1-CE2 3.76Å; Y53-F326 HydrophobicContact CE1-CE2 3.76Å; Y53-F326 AromaticContact CE1-CZ 3.45Å; Y53-F326 HydrophobicContact CE1-CZ 3.45Å; Y53-F326 VanDerWaalsContact CE1-CZ 3.45Å; Y53-F326 HydrophobicContact CG-CZ 4.49Å; A56-F326 HydrophobicContact CB-CE2 4.46Å; I58-F326 HydrophobicContact CD1-CD1 4.18Å; I58-F326 HydrophobicContact CD1-CD2 3.57Å; I58-F326 HydrophobicContact CD1-CE1 4.28Å; I58-F326 HydrophobicContact CD1-CE2 3.62Å; I58-F326 HydrophobicContact CD1-CG 3.92Å; I58-F326 HydrophobicContact CD1-CZ 4.01Å; Y62-F326 HydrophobicContact CD1-CB 3.4Å; Y62-F326 VanDerWaalsContact CD1-CB 3.4Å; Y62-F326 HydrophobicContact CD1-CG 4.47Å; Y62-F326 HydrophobicContact CD2-CB 4.27Å; Y62-F326 HydrophobicContact CE1-CB 3.62Å; Y62-F326 AromaticContact CE1-CD2 3.97Å; Y62-F326 HydrophobicContact CE1-CD2 3.97Å; Y62-F326 HydrophobicContact CE1-CG 4.31Å; Y62-F326 HydrophobicContact CE2-CB 4.44Å; Y62-F326 HydrophobicContact CE2-CD2 4.18Å; Y62-F326 HydrophobicContact CG-CB 3.75Å; Y62-F326 AromaticContact CZ-CD2 3.76Å; F112-F326 HydrophobicContact CE2-CE1 4.41Å; F112-F326 HydrophobicContact CZ-CD1 4.37Å; F112-F326 AromaticContact CZ-CE1 3.72Å; F112-F326 HydrophobicContact CZ-CE1 3.72Å; F112-F326 HydrophobicContact CZ-CZ 4.44Å; M114-F326 HydrophobicContact CE-CE1 4.16Å; M114-F326 HydrophobicContact CG-CE1 4.16Å; M114-F326 HydrophobicContact CG-CZ 4.47Å; M114-F326 HydrophobicContact SD-CE1 4.16Å; C147-F326 WeakPolarHBondContact SG-CD1 3.49Å; F322-F326 AromaticContact CE2-CE2 3.72Å; F322-F326 HydrophobicContact CE2-CE2 3.72Å; F322-F326 AromaticContact CE2-CZ 3.66Å; F322-F326 HydrophobicContact CE2-CZ 3.66Å; F322-F326 AromaticContact CZ-CE2 3.63Å; F322-F326 HydrophobicContact CZ-CE2 3.63Å; F322-F326 AromaticContact CZ-CZ 3.84Å; F322-F326 HydrophobicContact CZ-CZ 3.84Å; P323-F326 HydrophobicContact CB-CD2 3.64Å; P323-F326 HydrophobicContact CB-CE2 3.88Å; P323-F326 WeakPolarHBondContact O-CB 3.49Å; P323-F326 PolarHBondContact O-N 2.74Å; G324-F326 VanDerWaalsContact C-N 3.26Å; G324-F326 PolarHBondContact O-N 2.89Å; F326-I328 VanDerWaalsContact C-N 3.33Å; F326-I328 PolarHBondContact O-N 2.71Å; F326-G329 PolarHBondContact O-N 3.05Å; F326-M330 WeakPolarHBondContact O-CB 3.36Å; F326-M330 VanDerWaalsContact O-CG 3.28Å; F326-M330 WeakPolarHBondContact O-CG 3.42Å; F326-M330 PolarHBondContact O-N 2.81Å
327	H	97.3	Very high	96.4	Very high	17 Å²	17	25.3 Å²	25.3	8%	0.079	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-42	170.9	-68.8	-64.6	0	0	0	112	E61 Y62 K64 Y65 G324 G325 C331	E61-H327 PolarHBondContact O-CE1 2.74Å; E61-H327 VanDerWaalsContact O-CE1 3.24Å; Y62-H327 WeakPolarHBondContact CA-ND1 3.36Å; Y62-H327 AromaticContact CD1-CE1 3.79Å; Y62-H327 AromaticContact CD1-ND1 3.96Å; Y62-H327 WeakPolarHBondContact O-CA 3.29Å; Y62-H327 PolarHBondContact O-ND1 3.45Å; K64-H327 WeakPolarHBondContact CE-CE1 3.49Å; Y65-H327 HydrophobicContact CD2-CB 3.78Å; Y65-H327 AromaticContact CD2-CG 3.6Å; Y65-H327 AromaticContact CD2-ND1 3.73Å; Y65-H327 HydrophobicContact CE2-CB 4.17Å; Y65-H327 AromaticContact CE2-CD2 3.6Å; Y65-H327 AromaticContact CE2-CE1 3.97Å; Y65-H327 AromaticContact CE2-CG 3.61Å; Y65-H327 AromaticContact CE2-ND1 3.83Å; Y65-H327 AromaticContact CE2-NE2 3.81Å; G324-H327 WeakPolarHBondContact O-CB 3.29Å; G324-H327 PolarHBondContact O-CD2 3.3Å; G324-H327 PolarHBondContact O-N 3.37Å; G325-H327 PolarHBondContact O-N 3.3Å; H327-C331 WeakPolarHBondContact O-CB 3.27Å; H327-C331 PolarHBondContact O-N 3.37Å; H327-C331 VanDerWaalsContact O-N 3.11Å; H327-C331 PolarHBondContact O-SG 3.35Å
328	I	97.5	Very high	96.4	Very high	45 Å²	45	24.8 Å²	24.8	23%	0.231	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-52.3	176	-64.2	179	0	0	0	109.6	P148 Y151 G325 F326 M330 C331 Q332	P148-I328 HydrophobicContact CG-CD1 4.17Å; Y151-I328 HydrophobicContact CD1-CD1 3.56Å; Y151-I328 HydrophobicContact CD2-CD1 4.38Å; Y151-I328 HydrophobicContact CE1-CD1 3.32Å; Y151-I328 HydrophobicContact CE1-CG1 4.02Å; Y151-I328 HydrophobicContact CE2-CD1 4.17Å; Y151-I328 HydrophobicContact CG-CD1 4.09Å; G325-I328 WeakPolarHBondContact O-CB 3.44Å; G325-I328 PolarHBondContact O-N 3.46Å; G325-I328 VanDerWaalsContact O-N 3.07Å; F326-I328 VanDerWaalsContact C-N 3.33Å; F326-I328 PolarHBondContact O-N 2.71Å; I328-M330 PolarHBondContact O-N 2.83Å; I328-C331 PolarHBondContact O-N 3.04Å; I328-Q332 HydrophobicContact CG2-CG 4.23Å; I328-Q332 VanDerWaalsContact O-CB 3.32Å; I328-Q332 WeakPolarHBondContact O-CB 3.35Å; I328-Q332 VanDerWaalsContact O-CG 3.31Å; I328-Q332 WeakPolarHBondContact O-CG 3.49Å; I328-Q332 PolarHBondContact O-N 2.99Å
329	G	98.3	Very high	96.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.1	-49.4	-176.9	0	0	0	0	0	112.7	I145 G325 F326 Q332 L333	I145-G329 WeakPolarHBondContact CG2-O 3.43Å; G325-G329 PolarHBondContact O-N 3.25Å; F326-G329 PolarHBondContact O-N 3.05Å; G329-Q332 PolarHBondContact O-N 2.85Å; G329-L333 WeakPolarHBondContact O-CB 3.49Å; G329-L333 PolarHBondContact O-N 2.86Å
330	M	98.4	Very high	96.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.5	-36.9	-177.9	-64.6	-61.1	145.2	0	0	112.5	I58 L63 I73 M137 F326 I328 L333 C334	I58-M330 HydrophobicContact CG2-CE 3.73Å; I58-M330 HydrophobicContact CG2-CG 4.34Å; I58-M330 HydrophobicContact CG2-SD 4Å; L63-M330 HydrophobicContact CD2-CB 3.89Å; L63-M330 HydrophobicContact CG-CB 4.47Å; I73-M330 HydrophobicContact CD1-CG 4.19Å; I73-M330 HydrophobicContact CD1-SD 4.13Å; M137-M330 HydrophobicContact CE-CE 3.43Å; M137-M330 VanDerWaalsContact CE-CE 3.43Å; M137-M330 HydrophobicContact SD-CE 3.86Å; F326-M330 WeakPolarHBondContact O-CB 3.36Å; F326-M330 VanDerWaalsContact O-CG 3.28Å; F326-M330 WeakPolarHBondContact O-CG 3.42Å; F326-M330 PolarHBondContact O-N 2.81Å; I328-M330 PolarHBondContact O-N 2.83Å; M330-L333 PolarHBondContact O-N 2.81Å; M330-C334 WeakPolarHBondContact O-CB 3.28Å; M330-C334 PolarHBondContact O-N 2.7Å
331	C	98.6	Very high	96.4	Very high	23 Å²	23	28.4 Å²	28.4	16%	0.155	17%	0.17	C	C	.	.	H	α-helix	trans	-69.3	-38.1	174.2	-71.8	0	0	0	0	112.6	C66 H327 I328 C334 G335	C66-C331 HydrophobicContact CB-CB 3.67Å; C66-C331 WeakPolarHBondContact CB-SG 3.48Å; C66-C331 WeakPolarHBondContact SG-CA 3.45Å; C66-C331 WeakPolarHBondContact SG-CB 3.49Å; C66-C331 CovalentContact SG-SG 2.03Å; C66-C331 PolarHBondContact SG-SG 2.85Å; H327-C331 WeakPolarHBondContact O-CB 3.27Å; H327-C331 PolarHBondContact O-N 3.37Å; H327-C331 VanDerWaalsContact O-N 3.11Å; H327-C331 PolarHBondContact O-SG 3.35Å; I328-C331 PolarHBondContact O-N 3.04Å; C331-C334 PolarHBondContact O-N 3.38Å; C331-G335 PolarHBondContact O-N 2.84Å
332	Q	98.6	Very high	96.3	Very high	81 Å²	81	30.1 Å²	30.1	38%	0.379	20%	0.195	S	C	.	.	H	α-helix	trans	-64	-44.3	173.1	-78.2	-172.3	-13.6	0	0	111.6	I145 F146 I328 G329 G335 R336	I145-Q332 HydrophobicContact CG2-CB 3.97Å; F146-Q332 PolarHBondContact O-OE1 3.03Å; I328-Q332 HydrophobicContact CG2-CG 4.23Å; I328-Q332 VanDerWaalsContact O-CB 3.32Å; I328-Q332 WeakPolarHBondContact O-CB 3.35Å; I328-Q332 VanDerWaalsContact O-CG 3.31Å; I328-Q332 WeakPolarHBondContact O-CG 3.49Å; I328-Q332 PolarHBondContact O-N 2.99Å; G329-Q332 PolarHBondContact O-N 2.85Å; Q332-G335 PolarHBondContact O-N 3.07Å; Q332-R336 WeakPolarHBondContact O-CB 3.33Å; Q332-R336 PolarHBondContact O-N 3.32Å
333	L	98.8	Very high	96.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-49	174.2	177.8	57.1	0	0	0	110.7	I47 V87 V110 L135 M137 I145 G329 M330 G335 R336 L337	I47-L333 HydrophobicContact CD1-CD2 4.1Å; I47-L333 HydrophobicContact CD1-CG 4.16Å; I47-L333 HydrophobicContact CG1-CD2 4.48Å; I47-L333 HydrophobicContact CG2-CD2 3.89Å; V87-L333 HydrophobicContact CG2-CD2 3.86Å; V110-L333 HydrophobicContact CG2-CD1 4.05Å; L135-L333 HydrophobicContact CD1-CD1 4.25Å; M137-L333 HydrophobicContact SD-CD2 4.44Å; I145-L333 HydrophobicContact CD1-CB 4.33Å; I145-L333 HydrophobicContact CD1-CD1 4.36Å; I145-L333 HydrophobicContact CG1-CB 4.28Å; I145-L333 HydrophobicContact CG1-CD1 4.18Å; I145-L333 HydrophobicContact CG2-CB 4.07Å; G329-L333 WeakPolarHBondContact O-CB 3.49Å; G329-L333 PolarHBondContact O-N 2.86Å; M330-L333 PolarHBondContact O-N 2.81Å; L333-G335 VanDerWaalsContact C-N 3.33Å; L333-G335 PolarHBondContact O-N 2.81Å; L333-R336 WeakPolarHBondContact O-CB 3.47Å; L333-R336 PolarHBondContact O-N 3.19Å; L333-L337 HydrophobicContact CD1-CD1 4.12Å; L333-L337 HydrophobicContact CD1-CD2 4.35Å; L333-L337 HydrophobicContact CD1-CG 4.05Å; L333-L337 HydrophobicContact CG-CD1 4.1Å; L333-L337 HydrophobicContact CG-CG 4.44Å; L333-L337 VanDerWaalsContact O-CG 3.28Å; L333-L337 WeakPolarHBondContact O-CG 3.32Å; L333-L337 PolarHBondContact O-N 2.92Å
334	C	98.7	Very high	96	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-44.5	177.7	-179.4	0	0	0	0	112.4	I47 L63 L69 C71 M330 C331 R336 L337 R338	I47-C334 HydrophobicContact CD1-CB 4.5Å; L63-C334 HydrophobicContact CD2-CB 4.04Å; L69-C334 WeakPolarHBondContact CB-SG 3.45Å; L69-C334 HydrophobicContact CD1-CB 4.26Å; C71-C334 HydrophobicContact CB-CB 3.75Å; C71-C334 WeakPolarHBondContact CB-SG 3.38Å; C71-C334 WeakPolarHBondContact SG-CA 3.43Å; C71-C334 WeakPolarHBondContact SG-CB 3.25Å; C71-C334 CovalentContact SG-SG 2.02Å; C71-C334 PolarHBondContact SG-SG 3.3Å; M330-C334 WeakPolarHBondContact O-CB 3.28Å; M330-C334 PolarHBondContact O-N 2.7Å; C331-C334 PolarHBondContact O-N 3.38Å; C334-R336 VanDerWaalsContact C-N 3.34Å; C334-R336 PolarHBondContact O-N 2.99Å; C334-L337 PolarHBondContact O-N 3.33Å; C334-R338 WeakPolarHBondContact O-CB 3.37Å; C334-R338 WeakPolarHBondContact O-CG 3.45Å; C334-R338 PolarHBondContact O-N 3.3Å
335	G	98.3	Very high	96.2	Very high	27 Å²	27	35.8 Å²	35.8	28%	0.278	24%	0.241	S	C	.	.	H	α-helix	trans	-60.8	-42.4	176	0	0	0	0	0	112.4	C331 Q332 L333 R338 A339	C331-G335 PolarHBondContact O-N 2.84Å; Q332-G335 PolarHBondContact O-N 3.07Å; L333-G335 VanDerWaalsContact C-N 3.33Å; L333-G335 PolarHBondContact O-N 2.81Å; G335-R338 PolarHBondContact O-N 3.05Å; G335-A339 PolarHBondContact O-N 2.91Å
336	R	98.4	Very high	96.2	Very high	77 Å²	77	36.9 Å²	36.9	29%	0.291	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-47.6	175.1	176.8	58.4	-171.9	-90.4	-1.9	111.9	L135 I145 Q332 L333 C334 R338 A339 D340	L135-R336 HydrophobicContact CD1-CG 3.92Å; L135-R336 VanDerWaalsContact CD2-CZ 3.42Å; I145-R336 HydrophobicContact CD1-CB 3.88Å; I145-R336 HydrophobicContact CD1-CG 4.24Å; Q332-R336 WeakPolarHBondContact O-CB 3.33Å; Q332-R336 PolarHBondContact O-N 3.32Å; L333-R336 WeakPolarHBondContact O-CB 3.47Å; L333-R336 PolarHBondContact O-N 3.19Å; C334-R336 VanDerWaalsContact C-N 3.34Å; C334-R336 PolarHBondContact O-N 2.99Å; R336-R338 VanDerWaalsContact C-N 3.26Å; R336-R338 PolarHBondContact O-N 3.43Å; R336-A339 WeakPolarHBondContact O-CB 3.33Å; R336-A339 PolarHBondContact O-N 2.58Å; R336-D340 IonicContact CZ-OD2 2.81Å; R336-D340 IonicContact NE-OD1 2.7Å; R336-D340 IonicContact NE-OD2 3.8Å; R336-D340 PolarHBondContact NE-OD2 3.46Å; R336-D340 IonicContact NH2-OD2 2.84Å; R336-D340 PolarHBondContact NH2-OD2 3.18Å; R336-D340 PolarHBondContact O-N 3.3Å
337	L	98.2	Very high	96.2	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-33.8	178	-62.5	174.5	0	0	0	112.3	L45 I47 A85 H108 L333 C334 D340 A341	L45-L337 HydrophobicContact CD1-CB 4.01Å; I47-L337 HydrophobicContact CD1-CD1 4.15Å; I47-L337 HydrophobicContact CG1-CD1 3.65Å; A85-L337 HydrophobicContact CB-CD1 3.63Å; A85-L337 HydrophobicContact CB-CD2 3.85Å; A85-L337 HydrophobicContact CB-CG 4.35Å; H108-L337 HydrophobicContact CB-CD2 4.26Å; H108-L337 WeakPolarHBondContact CD2-CD2 3.38Å; L333-L337 HydrophobicContact CD1-CD1 4.12Å; L333-L337 HydrophobicContact CD1-CD2 4.35Å; L333-L337 HydrophobicContact CD1-CG 4.05Å; L333-L337 HydrophobicContact CG-CD1 4.1Å; L333-L337 HydrophobicContact CG-CG 4.44Å; L333-L337 VanDerWaalsContact O-CG 3.28Å; L333-L337 WeakPolarHBondContact O-CG 3.32Å; L333-L337 PolarHBondContact O-N 2.92Å; C334-L337 PolarHBondContact O-N 3.33Å; L337-D340 PolarHBondContact O-N 3.36Å; L337-A341 PolarHBondContact O-N 2.94Å
338	R	96.7	Very high	96.2	Very high	66 Å²	66	47 Å²	47	25%	0.249	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-39.7	174.1	-75.8	-69.3	178.6	-168.7	5.3	112.7	L45 L69 N70 C334 G335 R336 D340	L45-R338 HydrophobicContact CD1-CG 4Å; L69-R338 HydrophobicContact CB-CG 4.49Å; L69-R338 VanDerWaalsContact O-CZ 3.28Å; L69-R338 PolarHBondContact O-NE 3.06Å; L69-R338 PolarHBondContact O-NH2 3.32Å; L69-R338 VanDerWaalsContact O-NH2 3.15Å; N70-R338 PolarHBondContact ND2-NH2 2.92Å; N70-R338 PolarHBondContact O-NH2 2.84Å; C334-R338 WeakPolarHBondContact O-CB 3.37Å; C334-R338 WeakPolarHBondContact O-CG 3.45Å; C334-R338 PolarHBondContact O-N 3.3Å; G335-R338 PolarHBondContact O-N 3.05Å; R336-R338 VanDerWaalsContact C-N 3.26Å; R336-R338 PolarHBondContact O-N 3.43Å; R338-D340 VanDerWaalsContact C-N 3.34Å
339	A	96.1	Very high	96.3	Very high	72 Å²	72	45.8 Å²	45.8	60%	0.595	29%	0.289	S	S	*	.	H	α-helix	trans	-64.6	-39.8	174.3	0	0	0	0	0	111.7	G335 R336	G335-A339 PolarHBondContact O-N 2.91Å; R336-A339 WeakPolarHBondContact O-CB 3.33Å; R336-A339 PolarHBondContact O-N 2.58Å
340	D	96.6	Very high	96.2	Very high	29 Å²	29	53 Å²	53	16%	0.155	32%	0.323	C	S	.	.	H	α-helix	trans	-85	-7.8	-175.2	-69.6	0.3	0	0	0	113.7	H108 R336 L337 R338 G342 V343 V346	H108-D340 IonicContact CE1-OD2 3.8Å; H108-D340 PolarHBondContact CE1-OD2 3.24Å; H108-D340 IonicContact NE2-OD2 3.22Å; H108-D340 PolarHBondContact NE2-OD2 3.37Å; H108-D340 VanDerWaalsContact NE2-OD2 3.15Å; R336-D340 IonicContact CZ-OD2 2.81Å; R336-D340 IonicContact NE-OD1 2.7Å; R336-D340 IonicContact NE-OD2 3.8Å; R336-D340 PolarHBondContact NE-OD2 3.46Å; R336-D340 IonicContact NH2-OD2 2.84Å; R336-D340 PolarHBondContact NH2-OD2 3.18Å; R336-D340 PolarHBondContact O-N 3.3Å; L337-D340 PolarHBondContact O-N 3.36Å; R338-D340 VanDerWaalsContact C-N 3.34Å; D340-G342 PolarHBondContact O-N 3.01Å; D340-V343 HydrophobicContact CB-CG2 4.45Å; D340-V343 PolarHBondContact O-N 3.17Å; D340-V346 HydrophobicContact CB-CG1 4.36Å
341	A	92.9	Very high	96.1	Very high	66 Å²	66	53.4 Å²	53.4	55%	0.545	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.1	-174.8	0	0	0	0	0	114.9	L45 L337	L45-A341 HydrophobicContact CD1-CB 4.42Å; L337-A341 PolarHBondContact O-N 2.94Å
342	G	90.1	Very high	96.1	Very high	74 Å²	74	52.3 Å²	52.3	76%	0.763	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-3.3	178.4	0	0	0	0	0	115.5	D340 G344	D340-G342 PolarHBondContact O-N 3.01Å; G342-G344 VanDerWaalsContact C-N 3.3Å; G342-G344 PolarHBondContact O-N 3.49Å
343	V	88.2	Confident	96.1	Very high	87 Å²	87	50.2 Å²	50.2	53%	0.527	32%	0.315	S	S	.	.	S	Bend	trans	-78.7	-12.5	-166.6	-178.2	0	0	0	0	112.8	D340 A345	D340-V343 HydrophobicContact CB-CG2 4.45Å; D340-V343 PolarHBondContact O-N 3.17Å; V343-A345 WeakPolarHBondContact CG1-O 3.14Å; V343-A345 PolarHBondContact O-N 3.02Å
344	G	90.5	Very high	96	Very high	52 Å²	52	52 Å²	52	54%	0.536	32%	0.324	S	S	.	.	S	Bend	trans	74.9	-43.6	175.4	0	0	0	0	0	114.3	P105 G342	P105-G344 WeakPolarHBondContact CB-O 2.83Å; G342-G344 VanDerWaalsContact C-N 3.3Å; G342-G344 PolarHBondContact O-N 3.49Å
345	A	95.7	Very high	96	Very high	31 Å²	31	52 Å²	52	26%	0.256	32%	0.324	S	S	.	.	S	Bend	trans	-140.3	134.3	173.2	0	0	0	0	0	111.7	P105 V343 Y347	P105-A345 HydrophobicContact CB-CB 4.17Å; P105-A345 CarbonylContact O-C 3.55Å; P105-A345 VanDerWaalsContact O-CA 3.23Å; P105-A345 WeakPolarHBondContact O-CA 3.35Å; V343-A345 WeakPolarHBondContact CG1-O 3.14Å; V343-A345 PolarHBondContact O-N 3.02Å; A345-Y347 HydrophobicContact CB-CE2 4.33Å
346	V	96.8	Very high	96	Very high	23 Å²	23	52.3 Å²	52.3	14%	0.139	32%	0.319	C	S	.	.			trans	-110.6	146.4	179.1	-53.5	0	0	0	0	110.2	P105 H108 T134 D340	P105-V346 PolarHBondContact O-N 3.35Å; H108-V346 WeakPolarHBondContact NE2-CG1 3.33Å; T134-V346 HydrophobicContact CG2-CG2 4.4Å; D340-V346 HydrophobicContact CB-CG1 4.36Å
347	Y	96.1	Very high	95.9	Very high	176 Å²	176	52.2 Å²	52.2	69%	0.69	32%	0.322	S	S	*	.			trans	-124.1	158.9	-176.5	-59.9	-83.6	0	0	0	110.4	A345 S349	A345-Y347 HydrophobicContact CB-CE2 4.33Å; Y347-S349 PolarHBondContact O-N 2.96Å
348	P	97.6	Very high	95.9	Very high	54 Å²	54	52.2 Å²	52.2	35%	0.351	32%	0.322	S	S	.	.			trans	-55.2	130.2	172.5	-25	35.2	0	0	0	113.4	T134 A353	T134-P348 HydrophobicContact CG2-CG 4.46Å; P348-A353 HydrophobicContact CB-CB 4.07Å
349	S	97.8	Very high	96	Very high	20 Å²	20	49.2 Å²	49.2	14%	0.14	31%	0.311	C	S	.	.			trans	-66.3	166.8	166.4	73.5	0	0	0	0	111	T134 D144 Y347 S351 A352 A353	T134-S349 PolarHBondContact O-N 3.26Å; T134-S349 VanDerWaalsContact O-N 3.12Å; D144-S349 VanDerWaalsContact CG-OG 3.22Å; D144-S349 WeakPolarHBondContact OD1-CB 3.44Å; D144-S349 PolarHBondContact OD1-OG 3.06Å; D144-S349 WeakPolarHBondContact OD2-CB 3.35Å; D144-S349 PolarHBondContact OD2-OG 3.06Å; Y347-S349 PolarHBondContact O-N 2.96Å; S349-S351 PolarHBondContact O-N 3.37Å; S349-S351 PolarHBondContact OG-N 3.42Å; S349-S351 PolarHBondContact OG-OG 2.93Å; S349-A352 PolarHBondContact O-N 2.82Å; S349-A352 VanDerWaalsContact O-N 3.13Å; S349-A352 VanDerWaalsContact OG-CB 3.3Å; S349-A352 WeakPolarHBondContact OG-CB 3.38Å; S349-A352 PolarHBondContact OG-N 3.18Å; S349-A352 VanDerWaalsContact OG-N 3.11Å; S349-A353 WeakPolarHBondContact O-CB 3.47Å; S349-A353 PolarHBondContact O-N 3.1Å
350	E	96.4	Very high	96	Very high	152 Å²	152	47.9 Å²	47.9	71%	0.71	29%	0.293	S	S	*	.	H	α-helix	trans	-53.9	-43.6	174.2	-173.6	-165	141	0	0	111.6	R362	E350-R362 IonicContact OE1-NH1 3.32Å; E350-R362 PolarHBondContact OE1-NH1 3.01Å
351	S	97.6	Very high	96	Very high	8 Å²	8	53.9 Å²	53.9	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-73	-26.9	-178.5	70.4	0	0	0	0	113.4	T136 D144 S349 L355	T136-S351 WeakPolarHBondContact CG2-O 3.26Å; T136-S351 WeakPolarHBondContact CG2-OG 3.42Å; T136-S351 PolarHBondContact OG1-OG 2.91Å; D144-S351 PolarHBondContact OD2-OG 3.49Å; S349-S351 PolarHBondContact O-N 3.37Å; S349-S351 PolarHBondContact OG-N 3.42Å; S349-S351 PolarHBondContact OG-OG 2.93Å; S351-L355 WeakPolarHBondContact O-CD2 3.43Å
352	A	98.3	Very high	96.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-92.2	-22.7	-177.4	0	0	0	0	0	113.8	T134 T136 S349 D354	T134-A352 VanDerWaalsContact C-CB 3.45Å; T136-A352 HydrophobicContact CG2-CB 3.99Å; S349-A352 PolarHBondContact O-N 2.82Å; S349-A352 VanDerWaalsContact O-N 3.13Å; S349-A352 VanDerWaalsContact OG-CB 3.3Å; S349-A352 WeakPolarHBondContact OG-CB 3.38Å; S349-A352 PolarHBondContact OG-N 3.18Å; S349-A352 VanDerWaalsContact OG-N 3.11Å; A352-D354 PolarHBondContact O-N 3.47Å
353	A	97.7	Very high	96.6	Very high	37 Å²	37	52.9 Å²	52.9	31%	0.306	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-39.2	-177.6	0	0	0	0	0	112.9	P348 S349	P348-A353 HydrophobicContact CB-CB 4.07Å; S349-A353 WeakPolarHBondContact O-CB 3.47Å; S349-A353 PolarHBondContact O-N 3.1Å
354	D	97.9	Very high	96.9	Very high	37 Å²	37	50.6 Å²	50.6	20%	0.198	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-141.5	96.7	176.9	-165.6	-30.9	0	0	0	110.8	K130 A352 D356 E357 W358	K130-D354 WeakPolarHBondContact CE-OD2 3.4Å; K130-D354 IonicContact NZ-OD2 3.61Å; K130-D354 PolarHBondContact NZ-OD2 3.45Å; A352-D354 PolarHBondContact O-N 3.47Å; D354-D356 VanDerWaalsContact C-N 3.31Å; D354-D356 PolarHBondContact O-N 2.79Å; D354-D356 WeakPolarHBondContact OD1-CB 3.37Å; D354-D356 PolarHBondContact OD1-N 2.99Å; D354-D356 VanDerWaalsContact OD1-N 3.1Å; D354-E357 HydrophobicContact CB-CB 4.05Å; D354-E357 PolarHBondContact O-N 3.4Å; D354-E357 PolarHBondContact OD1-N 3.13Å; D354-E357 VanDerWaalsContact OD1-N 3.13Å; D354-W358 PolarHBondContact O-N 2.89Å
355	L	98.4	Very high	97.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-69.5	-26.1	179.5	-62.4	-175.2	0	0	0	112.9	F111 F125 Q129 Y133 T136 S351 W358 Y359 L360	F111-L355 HydrophobicContact CB-CD1 4.04Å; F111-L355 HydrophobicContact CB-CD2 4.35Å; F111-L355 HydrophobicContact CD1-CD1 4.11Å; F111-L355 HydrophobicContact CD1-CD2 4.03Å; F111-L355 HydrophobicContact CD2-CD1 3.41Å; F111-L355 VanDerWaalsContact CD2-CD1 3.41Å; F111-L355 HydrophobicContact CE1-CD1 4.42Å; F111-L355 HydrophobicContact CE2-CD1 3.76Å; F111-L355 HydrophobicContact CG-CD1 3.59Å; F111-L355 HydrophobicContact CG-CD2 4.13Å; F111-L355 HydrophobicContact CZ-CD1 4.25Å; F125-L355 HydrophobicContact CE2-CB 3.89Å; F125-L355 HydrophobicContact CE2-CD1 4.15Å; F125-L355 HydrophobicContact CZ-CB 3.69Å; Q129-L355 HydrophobicContact CB-CB 4.08Å; Q129-L355 PolarHBondContact O-N 2.91Å; Y133-L355 HydrophobicContact CD2-CD1 3.45Å; Y133-L355 VanDerWaalsContact CD2-CD1 3.45Å; Y133-L355 HydrophobicContact CD2-CG 4.27Å; Y133-L355 HydrophobicContact CE2-CD1 3.57Å; Y133-L355 HydrophobicContact CG-CD1 4.46Å; T136-L355 HydrophobicContact CG2-CD2 3.73Å; S351-L355 WeakPolarHBondContact O-CD2 3.43Å; L355-W358 HydrophobicContact CD2-CE3 3.79Å; L355-W358 HydrophobicContact CD2-CZ3 4.02Å; L355-Y359 WeakPolarHBondContact O-CA 3.48Å; L355-Y359 WeakPolarHBondContact O-CB 3.31Å; L355-Y359 PolarHBondContact O-N 2.73Å; L355-L360 PolarHBondContact O-N 3.19Å
356	D	97.6	Very high	97.3	Very high	33 Å²	33	50.2 Å²	50.2	18%	0.176	25%	0.254	C	S	.	.	I	π-helix	trans	-63.6	-48.6	174.5	-173.8	58.1	0	0	0	109.7	D354 L360 R361	D354-D356 VanDerWaalsContact C-N 3.31Å; D354-D356 PolarHBondContact O-N 2.79Å; D354-D356 WeakPolarHBondContact OD1-CB 3.37Å; D354-D356 PolarHBondContact OD1-N 2.99Å; D354-D356 VanDerWaalsContact OD1-N 3.1Å; D356-L360 WeakPolarHBondContact O-CA 3.16Å; D356-L360 WeakPolarHBondContact O-CB 3.3Å; D356-L360 PolarHBondContact O-N 3.33Å; D356-R361 PolarHBondContact O-N 3.04Å; D356-R361 IonicContact OD2-CZ 2.83Å; D356-R361 IonicContact OD2-NE 3.79Å; D356-R361 PolarHBondContact OD2-NE 2.8Å; D356-R361 IonicContact OD2-NH2 3.76Å; D356-R361 PolarHBondContact OD2-NH2 3.11Å
357	E	97.4	Very high	97.3	Very high	75 Å²	75	53.9 Å²	53.9	35%	0.35	28%	0.276	S	S	.	.	I	π-helix	trans	-65	-53.9	178.8	-176.5	58	-142.3	0	0	111.3	D354 R361 R362	D354-E357 HydrophobicContact CB-CB 4.05Å; D354-E357 PolarHBondContact O-N 3.4Å; D354-E357 PolarHBondContact OD1-N 3.13Å; D354-E357 VanDerWaalsContact OD1-N 3.13Å; E357-R361 VanDerWaalsContact OE2-CD 3.27Å; E357-R361 WeakPolarHBondContact OE2-CD 3.44Å; E357-R361 IonicContact OE2-CZ 2.81Å; E357-R361 IonicContact OE2-NE 2.75Å; E357-R361 IonicContact OE2-NH1 2.88Å; E357-R361 PolarHBondContact OE2-NH1 3.13Å; E357-R362 WeakPolarHBondContact O-CB 3.48Å; E357-R362 WeakPolarHBondContact O-CG 3.43Å; E357-R362 PolarHBondContact O-N 3.2Å; E357-R362 VanDerWaalsContact O-N 3.09Å
358	W	97.6	Very high	97.4	Very high	4 Å²	4	46 Å²	46	2%	0.015	25%	0.249	C	C	.	.	I	π-helix	trans	-70.4	-52.4	-176.5	169.6	76.7	0	0	0	112.6	F111 T136 A138 R140 D142 D354 L355 R362	F111-W358 HydrophobicContact CD1-CZ3 4.05Å; F111-W358 HydrophobicContact CE1-CZ3 4.05Å; T136-W358 HydrophobicContact CG2-CD2 4.47Å; T136-W358 HydrophobicContact CG2-CE3 3.8Å; T136-W358 HydrophobicContact CG2-CH2 3.87Å; T136-W358 HydrophobicContact CG2-CZ3 3.45Å; T136-W358 VanDerWaalsContact CG2-CZ3 3.45Å; A138-W358 HydrophobicContact CB-CH2 4.18Å; R140-W358 HydrophobicContact CB-CZ2 4.2Å; R140-W358 PolarHBondContact NH1-O 3.09Å; R140-W358 PolarHBondContact NH2-O 3.3Å; D142-W358 PolarHBondContact O-NE1 3.32Å; D142-W358 PolarHBondContact OD1-NE1 3.32Å; D354-W358 PolarHBondContact O-N 2.89Å; L355-W358 HydrophobicContact CD2-CE3 3.79Å; L355-W358 HydrophobicContact CD2-CZ3 4.02Å; W358-R362 WeakPolarHBondContact O-CB 3.5Å
359	Y	97.9	Very high	97.4	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.012	23%	0.233	C	C	.	.	I	π-helix	trans	-85.3	-42.6	-169.2	-152.6	-110.8	0	0	0	113.1	F111 L113 E115 A117 V120 A138 F139 R140 L355 S363	F111-Y359 HydrophobicContact CE1-CD2 4.26Å; F111-Y359 HydrophobicContact CE1-CE2 4.23Å; F111-Y359 HydrophobicContact CE1-CG 4.35Å; F111-Y359 HydrophobicContact CZ-CD1 4.5Å; L113-Y359 HydrophobicContact CD2-CD1 4.37Å; L113-Y359 HydrophobicContact CD2-CE1 3.55Å; L113-Y359 HydrophobicContact CG-CE1 4.32Å; L113-Y359 PolarHBondContact O-OH 3.15Å; E115-Y359 PolarHBondContact O-OH 3.05Å; A117-Y359 HydrophobicContact CB-CD1 4.42Å; V120-Y359 HydrophobicContact CG1-CD1 3.89Å; V120-Y359 HydrophobicContact CG1-CE1 4.1Å; A138-Y359 HydrophobicContact CB-CE2 3.98Å; F139-Y359 VanDerWaalsContact CE1-OH 3.28Å; F139-Y359 WeakPolarHBondContact CE1-OH 3.34Å; R140-Y359 HydrophobicContact CG-CE2 4.26Å; R140-Y359 PolarHBondContact NH1-O 2.8Å; L355-Y359 WeakPolarHBondContact O-CA 3.48Å; L355-Y359 WeakPolarHBondContact O-CB 3.31Å; L355-Y359 PolarHBondContact O-N 2.73Å; Y359-S363 VanDerWaalsContact O-CB 3.27Å; Y359-S363 WeakPolarHBondContact O-CB 3.34Å
360	L	97.2	Very high	97.4	Very high	44 Å²	44	42.7 Å²	42.7	23%	0.23	23%	0.226	C	C	.	.	I	π-helix	trans	-88.5	-60.2	-176.2	-56.3	-170.6	0	0	0	112.1	A117 V120 F125 L355 D356 S363	A117-L360 HydrophobicContact CB-CD2 3.68Å; A117-L360 VanDerWaalsContact O-CD2 3.25Å; A117-L360 WeakPolarHBondContact O-CD2 3.36Å; V120-L360 HydrophobicContact CG1-CD2 3.78Å; V120-L360 HydrophobicContact CG2-CD2 4.18Å; F125-L360 HydrophobicContact CD1-CD1 4.34Å; F125-L360 HydrophobicContact CE1-CD1 3.55Å; F125-L360 HydrophobicContact CE1-CD2 4.41Å; F125-L360 HydrophobicContact CE1-CG 3.85Å; F125-L360 HydrophobicContact CZ-CD1 4.06Å; F125-L360 HydrophobicContact CZ-CD2 4.17Å; F125-L360 HydrophobicContact CZ-CG 3.81Å; L355-L360 PolarHBondContact O-N 3.19Å; D356-L360 WeakPolarHBondContact O-CA 3.16Å; D356-L360 WeakPolarHBondContact O-CB 3.3Å; D356-L360 PolarHBondContact O-N 3.33Å; L360-S363 WeakPolarHBondContact O-CB 3.34Å; L360-S363 PolarHBondContact O-N 3.47Å; L360-S363 PolarHBondContact O-OG 3.12Å
361	R	97.3	Very high	97.4	Very high	155 Å²	155	36.7 Å²	36.7	59%	0.585	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-68.4	-40.9	-173.4	-62.8	-177.9	-161.6	167.2	-1.9	112.7	D356 E357 S363	D356-R361 PolarHBondContact O-N 3.04Å; D356-R361 IonicContact OD2-CZ 2.83Å; D356-R361 IonicContact OD2-NE 3.79Å; D356-R361 PolarHBondContact OD2-NE 2.8Å; D356-R361 IonicContact OD2-NH2 3.76Å; D356-R361 PolarHBondContact OD2-NH2 3.11Å; E357-R361 VanDerWaalsContact OE2-CD 3.27Å; E357-R361 WeakPolarHBondContact OE2-CD 3.44Å; E357-R361 IonicContact OE2-CZ 2.81Å; E357-R361 IonicContact OE2-NE 2.75Å; E357-R361 IonicContact OE2-NH1 2.88Å; E357-R361 PolarHBondContact OE2-NH1 3.13Å; R361-S363 VanDerWaalsContact C-N 3.25Å; R361-S363 PolarHBondContact O-N 2.9Å
362	R	97.2	Very high	97.3	Very high	102 Å²	102	40.7 Å²	40.7	39%	0.385	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-84.7	12	175.5	-66.1	168.2	56.7	179	-1.5	113.7	R140 E350 E357 W358 G364	R140-R362 PolarHBondContact NH1-O 2.9Å; R140-R362 PolarHBondContact NH2-O 3.28Å; E350-R362 IonicContact OE1-NH1 3.32Å; E350-R362 PolarHBondContact OE1-NH1 3.01Å; E357-R362 WeakPolarHBondContact O-CB 3.48Å; E357-R362 WeakPolarHBondContact O-CG 3.43Å; E357-R362 PolarHBondContact O-N 3.2Å; E357-R362 VanDerWaalsContact O-N 3.09Å; W358-R362 WeakPolarHBondContact O-CB 3.5Å; R362-G364 PolarHBondContact O-N 3.47Å
363	S	96.6	Very high	97.2	Very high	17 Å²	17	40.9 Å²	40.9	12%	0.119	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-64.8	-24	-179	64.5	0	0	0	0	114.5	K247 Y359 L360 R361 C365	K247-S363 WeakPolarHBondContact CB-O 3.09Å; K247-S363 PolarHBondContact N-O 3.15Å; Y359-S363 VanDerWaalsContact O-CB 3.27Å; Y359-S363 WeakPolarHBondContact O-CB 3.34Å; L360-S363 WeakPolarHBondContact O-CB 3.34Å; L360-S363 PolarHBondContact O-N 3.47Å; L360-S363 PolarHBondContact O-OG 3.12Å; R361-S363 VanDerWaalsContact C-N 3.25Å; R361-S363 PolarHBondContact O-N 2.9Å; S363-C365 WeakPolarHBondContact CB-SG 3.47Å; S363-C365 PolarHBondContact O-N 3.21Å; S363-C365 VanDerWaalsContact O-N 3.13Å; S363-C365 PolarHBondContact OG-N 2.55Å; S363-C365 PolarHBondContact OG-SG 2.99Å; S363-C365 VanDerWaalsContact OG-SG 3.32Å
364	G	96	Very high	97.2	Very high	39 Å²	39	41 Å²	41	40%	0.402	21%	0.211	S	C	.	.			trans	58.7	21.1	-171.7	0	0	0	0	0	113.5	F271 R362	F271-G364 WeakPolarHBondContact CZ-O 3.47Å; R362-G364 PolarHBondContact O-N 3.47Å
365	C	97.3	Very high	96.9	Very high	29 Å²	29	42.2 Å²	42.2	20%	0.196	22%	0.217	C	C	.	.			trans	-67.9	142.9	178.1	-65.6	0	0	0	0	111.8	H118 A245 C246 S363	H118-C365 WeakPolarHBondContact NE2-CB 3.31Å; A245-C365 CarbonylContact O-C 3.54Å; A245-C365 VanDerWaalsContact O-CA 3.28Å; A245-C365 WeakPolarHBondContact O-CA 3.27Å; C246-C365 HydrophobicContact CB-CB 4.09Å; C246-C365 WeakPolarHBondContact CB-SG 3.4Å; C246-C365 WeakPolarHBondContact SG-CB 3.43Å; C246-C365 CovalentContact SG-SG 2.03Å; C246-C365 PolarHBondContact SG-SG 3.16Å; S363-C365 WeakPolarHBondContact CB-SG 3.47Å; S363-C365 PolarHBondContact O-N 3.21Å; S363-C365 VanDerWaalsContact O-N 3.13Å; S363-C365 PolarHBondContact OG-N 2.55Å; S363-C365 PolarHBondContact OG-SG 2.99Å; S363-C365 VanDerWaalsContact OG-SG 3.32Å
366	V	96.6	Very high	96	Very high	46 Å²	46	44.9 Å²	44.9	28%	0.279	23%	0.228	S	C	.	.			trans	-121.7	109.6	173	-169.5	0	0	0	0	109.2	A245 Y369	A245-V366 PolarHBondContact O-N 2.97Å; V366-Y369 HydrophobicContact CB-CD2 3.88Å; V366-Y369 HydrophobicContact CB-CG 4.36Å; V366-Y369 HydrophobicContact CG1-CD2 3.67Å; V366-Y369 HydrophobicContact CG1-CG 4.41Å; V366-Y369 HydrophobicContact CG2-CD2 4.36Å
367	V	97	Very high	94.4	Very high	100 Å²	100	50.3 Å²	50.3	61%	0.606	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	138.6	174.9	-179.3	0	0	0	0	109.5	Y369	V367-Y369 PolarHBondContact O-N 2.73Å
368	G	97.4	Very high	92.4	Very high	10 Å²	10	53.1 Å²	53.1	10%	0.103	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	27.1	178.2	0	0	0	0	0	113.9	T187 Q189 G370 S371 W372	T187-G368 PolarHBondContact O-N 2.79Å; Q189-G368 VanDerWaalsContact OE1-CA 3.32Å; G368-G370 VanDerWaalsContact C-N 3.26Å; G368-G370 PolarHBondContact O-N 3.23Å; G368-S371 PolarHBondContact O-N 2.81Å; G368-S371 VanDerWaalsContact O-N 3.17Å; G368-W372 PolarHBondContact O-N 3.05Å
369	Y	97.3	Very high	90.3	Very high	6 Å²	6	58.1 Å²	58.1	2%	0.024	29%	0.285	C	S	.	.	H	α-helix	trans	-58	-37.5	-176	-167.8	-111.3	0	0	0	113	S188 A245 M267 K268 D285 V366 V367 W372 L373	S188-Y369 PolarHBondContact O-N 3.2Å; A245-Y369 HydrophobicContact CB-CD1 4.22Å; A245-Y369 HydrophobicContact CB-CG 4.09Å; M267-Y369 HydrophobicContact CB-CD1 4.01Å; M267-Y369 HydrophobicContact CB-CE1 4.1Å; K268-Y369 HydrophobicContact CB-CE1 3.65Å; K268-Y369 HydrophobicContact CD-CE1 4.38Å; K268-Y369 HydrophobicContact CD-CE2 4.29Å; K268-Y369 HydrophobicContact CG-CE1 4.23Å; K268-Y369 WeakPolarHBondContact CG-OH 3.33Å; D285-Y369 WeakPolarHBondContact CB-OH 3.27Å; V366-Y369 HydrophobicContact CB-CD2 3.88Å; V366-Y369 HydrophobicContact CB-CG 4.36Å; V366-Y369 HydrophobicContact CG1-CD2 3.67Å; V366-Y369 HydrophobicContact CG1-CG 4.41Å; V366-Y369 HydrophobicContact CG2-CD2 4.36Å; V367-Y369 PolarHBondContact O-N 2.73Å; Y369-W372 AromaticContact CD2-CE3 3.76Å; Y369-W372 HydrophobicContact CD2-CE3 3.76Å; Y369-W372 HydrophobicContact CD2-CZ3 4.2Å; Y369-W372 HydrophobicContact CE2-CD2 4.37Å; Y369-W372 AromaticContact CE2-CE3 3.37Å; Y369-W372 HydrophobicContact CE2-CE3 3.37Å; Y369-W372 HydrophobicContact CE2-CH2 4.36Å; Y369-W372 AromaticContact CE2-CZ3 3.34Å; Y369-W372 HydrophobicContact CE2-CZ3 3.34Å; Y369-W372 AromaticContact CZ-CE3 3.98Å; Y369-W372 AromaticContact CZ-CZ3 3.7Å; Y369-W372 PolarHBondContact O-N 2.99Å; Y369-L373 HydrophobicContact CD1-CD1 3.88Å; Y369-L373 HydrophobicContact CD1-CG 4.09Å; Y369-L373 HydrophobicContact CE1-CD1 3.63Å; Y369-L373 HydrophobicContact CE1-CD2 3.94Å; Y369-L373 HydrophobicContact CE1-CG 3.78Å; Y369-L373 WeakPolarHBondContact O-CG 3.33Å; Y369-L373 PolarHBondContact O-N 3.25Å
370	G	97.7	Very high	87.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.6	-50.5	174.7	0	0	0	0	0	112.5	S188 G368 W372 L373 I374	S188-G370 PolarHBondContact O-N 3.27Å; G368-G370 VanDerWaalsContact C-N 3.26Å; G368-G370 PolarHBondContact O-N 3.23Å; G370-W372 VanDerWaalsContact C-N 3.34Å; G370-W372 PolarHBondContact O-N 3.2Å; G370-L373 WeakPolarHBondContact O-CB 3.35Å; G370-L373 PolarHBondContact O-N 3.09Å; G370-I374 WeakPolarHBondContact O-CG1 3.43Å; G370-I374 PolarHBondContact O-N 2.71Å
371	S	97.2	Very high	84.9	Confident	26 Å²	26	76 Å²	76	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-62.4	-40.7	174.7	-62.8	0	0	0	0	112.3	Q189 G368 L373 I374 N375	Q189-S371 PolarHBondContact OE1-OG 2.83Å; G368-S371 PolarHBondContact O-N 2.81Å; G368-S371 VanDerWaalsContact O-N 3.17Å; S371-L373 VanDerWaalsContact C-N 3.3Å; S371-L373 PolarHBondContact O-N 2.84Å; S371-I374 WeakPolarHBondContact O-CB 3.23Å; S371-I374 PolarHBondContact O-N 2.79Å; S371-I374 VanDerWaalsContact O-N 3.15Å; S371-N375 PolarHBondContact O-N 3.05Å; S371-N375 VanDerWaalsContact O-N 3.1Å
372	W	96.1	Very high	82.3	Confident	92 Å²	92	72.4 Å²	72.4	35%	0.348	35%	0.353	S	S	.	.	H	α-helix	trans	-59.9	-40.2	175.9	176.9	84.3	0	0	0	112	G368 Y369 G370 I374 N375 R376 F379	G368-W372 PolarHBondContact O-N 3.05Å; Y369-W372 AromaticContact CD2-CE3 3.76Å; Y369-W372 HydrophobicContact CD2-CE3 3.76Å; Y369-W372 HydrophobicContact CD2-CZ3 4.2Å; Y369-W372 HydrophobicContact CE2-CD2 4.37Å; Y369-W372 AromaticContact CE2-CE3 3.37Å; Y369-W372 HydrophobicContact CE2-CE3 3.37Å; Y369-W372 HydrophobicContact CE2-CH2 4.36Å; Y369-W372 AromaticContact CE2-CZ3 3.34Å; Y369-W372 HydrophobicContact CE2-CZ3 3.34Å; Y369-W372 AromaticContact CZ-CE3 3.98Å; Y369-W372 AromaticContact CZ-CZ3 3.7Å; Y369-W372 PolarHBondContact O-N 2.99Å; G370-W372 VanDerWaalsContact C-N 3.34Å; G370-W372 PolarHBondContact O-N 3.2Å; W372-I374 VanDerWaalsContact C-N 3.29Å; W372-I374 PolarHBondContact O-N 3.28Å; W372-N375 PolarHBondContact O-N 3.48Å; W372-R376 HydrophobicContact CD2-CG 4.4Å; W372-R376 HydrophobicContact CE3-CG 4.38Å; W372-R376 HydrophobicContact CH2-CG 4.31Å; W372-R376 HydrophobicContact CZ2-CG 4.26Å; W372-R376 HydrophobicContact CZ3-CG 4.35Å; W372-R376 VanDerWaalsContact CZ3-CZ 3.49Å; W372-R376 WeakPolarHBondContact O-CG 3.37Å; W372-R376 PolarHBondContact O-N 2.75Å; W372-F379 AromaticContact CD1-CD2 3.86Å; W372-F379 AromaticContact CD1-CE2 3.93Å
373	L	96.4	Very high	79.5	Confident	4 Å²	4	78.5 Å²	78.5	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-62.5	-33.2	176.6	-74.4	175.2	0	0	0	112.9	Y193 A284 D285 Y369 G370 S371	Y193-L373 HydrophobicContact CD2-CB 3.61Å; Y193-L373 HydrophobicContact CD2-CD1 4.01Å; Y193-L373 HydrophobicContact CD2-CG 4.48Å; Y193-L373 HydrophobicContact CE2-CB 3.54Å; Y193-L373 HydrophobicContact CE2-CD1 3.94Å; Y193-L373 HydrophobicContact CE2-CG 4.38Å; A284-L373 HydrophobicContact CB-CD1 4.08Å; D285-L373 HydrophobicContact CB-CD2 3.67Å; Y369-L373 HydrophobicContact CD1-CD1 3.88Å; Y369-L373 HydrophobicContact CD1-CG 4.09Å; Y369-L373 HydrophobicContact CE1-CD1 3.63Å; Y369-L373 HydrophobicContact CE1-CD2 3.94Å; Y369-L373 HydrophobicContact CE1-CG 3.78Å; Y369-L373 WeakPolarHBondContact O-CG 3.33Å; Y369-L373 PolarHBondContact O-N 3.25Å; G370-L373 WeakPolarHBondContact O-CB 3.35Å; G370-L373 PolarHBondContact O-N 3.09Å; S371-L373 VanDerWaalsContact C-N 3.3Å; S371-L373 PolarHBondContact O-N 2.84Å
374	I	96.5	Very high	76.7	Confident	39 Å²	39	89.6 Å²	89.6	20%	0.2	42%	0.422	C	S	.	.	H	α-helix	trans	-69	-47.7	174.9	-58.4	167.8	0	0	0	110.1	V192 Y193 E196 P290 G370 S371 W372 R376	V192-I374 HydrophobicContact CG1-CD1 3.81Å; Y193-I374 HydrophobicContact CD2-CG1 3.99Å; E196-I374 HydrophobicContact CB-CD1 3.84Å; E196-I374 HydrophobicContact CB-CG1 4.23Å; E196-I374 HydrophobicContact CG-CD1 4.3Å; E196-I374 HydrophobicContact CG-CG1 4.31Å; E196-I374 HydrophobicContact CG-CG2 4.15Å; P290-I374 HydrophobicContact CG-CG1 4.22Å; G370-I374 WeakPolarHBondContact O-CG1 3.43Å; G370-I374 PolarHBondContact O-N 2.71Å; S371-I374 WeakPolarHBondContact O-CB 3.23Å; S371-I374 PolarHBondContact O-N 2.79Å; S371-I374 VanDerWaalsContact O-N 3.15Å; W372-I374 VanDerWaalsContact C-N 3.29Å; W372-I374 PolarHBondContact O-N 3.28Å; I374-R376 PolarHBondContact O-N 2.94Å
375	N	91.5	Very high	75.8	Confident	62 Å²	62	92.1 Å²	92.1	33%	0.332	42%	0.423	S	S	.	.	S	Bend	trans	-91.6	13.6	-168.6	-62.5	-25.1	0	0	0	114.6	S371 W372 K377 E378 F379	S371-N375 PolarHBondContact O-N 3.05Å; S371-N375 VanDerWaalsContact O-N 3.1Å; W372-N375 PolarHBondContact O-N 3.48Å; N375-K377 PolarHBondContact O-N 3.09Å; N375-E378 PolarHBondContact O-N 2.78Å; N375-F379 HydrophobicContact CB-CD2 4.27Å; N375-F379 HydrophobicContact CB-CE2 3.98Å; N375-F379 WeakPolarHBondContact O-CD2 3.37Å; N375-F379 PolarHBondContact O-N 2.91Å
376	R	79.6	Confident	74.7	Confident	57 Å²	57	95.4 Å²	95.4	22%	0.215	44%	0.435	C	S	.	.	H	α-helix	trans	-51.2	-28.7	-177.3	-79.4	-180	156.3	-171.3	-7.3	115	D285 W372 I374	D285-R376 PolarHBondContact O-NH1 2.96Å; W372-R376 HydrophobicContact CD2-CG 4.4Å; W372-R376 HydrophobicContact CE3-CG 4.38Å; W372-R376 HydrophobicContact CH2-CG 4.31Å; W372-R376 HydrophobicContact CZ2-CG 4.26Å; W372-R376 HydrophobicContact CZ3-CG 4.35Å; W372-R376 VanDerWaalsContact CZ3-CZ 3.49Å; W372-R376 WeakPolarHBondContact O-CG 3.37Å; W372-R376 PolarHBondContact O-N 2.75Å; I374-R376 PolarHBondContact O-N 2.94Å
377	K	63.8	Low	73.4	Confident	147 Å²	147	98.2 Å²	98.2	64%	0.639	44%	0.444	S	S	*	.	H	α-helix	trans	-69	-34.5	177.4	-70.7	-174.3	-179.4	177.9	0	112.5	N375	N375-K377 PolarHBondContact O-N 3.09Å
378	E	56.9	Low	72	Confident	134 Å²	134	98.1 Å²	98.1	63%	0.626	43%	0.434	S	S	*	.	H	α-helix	trans	-75.2	-39.4	-179.1	-61.9	-179.2	165.4	0	0	111.2	N375 R380 W381 A382	N375-E378 PolarHBondContact O-N 2.78Å; E378-R380 VanDerWaalsContact C-N 3.28Å; E378-R380 PolarHBondContact O-N 3.37Å; E378-W381 PolarHBondContact O-N 3.35Å; E378-W381 VanDerWaalsContact O-N 3.11Å; E378-A382 PolarHBondContact O-N 2.84Å
379	F	52.6	Low	70.5	Confident	109 Å²	109	103.6 Å²	103.6	48%	0.478	46%	0.455	S	S	.	.	H	α-helix	trans	-69.4	-19.3	179.2	-72.5	-74.2	0	0	0	114.9	W372 N375 W381	W372-F379 AromaticContact CD1-CD2 3.86Å; W372-F379 AromaticContact CD1-CE2 3.93Å; N375-F379 HydrophobicContact CB-CD2 4.27Å; N375-F379 HydrophobicContact CB-CE2 3.98Å; N375-F379 WeakPolarHBondContact O-CD2 3.37Å; N375-F379 PolarHBondContact O-N 2.91Å; F379-W381 VanDerWaalsContact C-N 3.32Å
380	R	44.4	Very low	68.7	Low	207 Å²	207	110.1 Å²	110.1	78%	0.781	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-22.1	172.7	-75.7	-173.1	179.4	-163.5	-0.4	112.9	E378	E378-R380 VanDerWaalsContact C-N 3.28Å; E378-R380 PolarHBondContact O-N 3.37Å
381	W	37.3	Very low	66.6	Low	214 Å²	214	117.9 Å²	117.9	81%	0.811	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-26.2	177.3	-82.6	76.5	0	0	0	112.9	E378 F379 R383	E378-W381 PolarHBondContact O-N 3.35Å; E378-W381 VanDerWaalsContact O-N 3.11Å; F379-W381 VanDerWaalsContact C-N 3.32Å; W381-R383 PolarHBondContact O-N 2.7Å
382	A	43	Very low	64.2	Low	81 Å²	81	125 Å²	125	67%	0.669	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-0.4	176.8	0	0	0	0	0	115	E378	E378-A382 PolarHBondContact O-N 2.84Å
383	R	38.2	Very low	61.6	Low	230 Å²	230	127.8 Å²	127.8	87%	0.868	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	7.4	178.4	-68.7	-169.1	-172.4	-176.8	1.4	114.1	W381	W381-R383 PolarHBondContact O-N 2.7Å
384	K	39	Very low	58.4	Low	249 Å²	249	139 Å²	139	100%	1.083	61%	0.609	S	S	*	*			trans	-103.8	0	162.8	-74.8	-171.2	176.1	-172.8	0	107.7

Retrieved 384 of 384 residues in 388.9 ms (Link to these results)

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