A0A077Z7Y1_TRITR Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z7Y1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 376 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	36.6	Very low	29.1	Very low	231 Å²	231	148.3 Å²	148.3	100%	1.138	77%	0.769	S	S	*	*				0	111.5	0	-97.1	172	161	0	0	108.3	I3	M1-I3 PolarHBondContact O-N 2.92Å
2	K	27.2	Very low	28.7	Very low	218 Å²	218	154.7 Å²	154.7	95%	0.948	78%	0.776	S	S	*	*			trans	-71.5	121	168.1	-79.7	-178.9	175	179.3	0	107
3	I	28.8	Very low	28.6	Very low	139 Å²	139	149.2 Å²	149.2	71%	0.713	77%	0.769	S	S	*	*			trans	-95.1	104.5	-173.9	-59.9	171	0	0	0	106.9	M1	M1-I3 PolarHBondContact O-N 2.92Å
4	E	25	Very low	28.5	Very low	179 Å²	179	146.4 Å²	146.4	84%	0.836	77%	0.765	S	S	*	*			trans	-77.7	141.6	168.5	-80.2	-179	165.1	0	0	110.4	A6	E4-A6 PolarHBondContact O-N 2.66Å
5	P	29.2	Very low	28.4	Very low	109 Å²	109	146.7 Å²	146.7	71%	0.708	77%	0.766	S	S	*	*			trans	-69	130.8	178.3	-12.2	27.1	0	0	0	110.8	H7	P5-H7 PolarHBondContact O-N 3.19Å
6	A	30.6	Very low	28.4	Very low	86 Å²	86	143.1 Å²	143.1	71%	0.711	76%	0.757	S	S	*	*			trans	-60.3	109.1	171.5	0	0	0	0	0	109.7	E4 I8	E4-A6 PolarHBondContact O-N 2.66Å; A6-I8 PolarHBondContact O-N 3.13Å; A6-I8 VanDerWaalsContact O-N 3.09Å
7	H	27.5	Very low	28.3	Very low	171 Å²	171	145.7 Å²	145.7	79%	0.792	76%	0.761	S	S	*	*			trans	-63.7	107.3	165.4	-74.6	-76.3	0	0	0	108.2	P5 L9	P5-H7 PolarHBondContact O-N 3.19Å; H7-L9 PolarHBondContact O-N 3.44Å
8	I	31.7	Very low	28.4	Very low	80 Å²	80	144.2 Å²	144.2	41%	0.41	76%	0.758	S	S	.	*			trans	-63.3	95.2	163.4	-63.1	173.3	0	0	0	105.9	A6 L10	A6-I8 PolarHBondContact O-N 3.13Å; A6-I8 VanDerWaalsContact O-N 3.09Å; I8-L10 HydrophobicContact CG2-CG 4.37Å; I8-L10 PolarHBondContact O-N 2.98Å
9	L	25.4	Very low	28.2	Very low	139 Å²	139	144.3 Å²	144.3	73%	0.728	76%	0.759	S	S	*	*			trans	-69.7	80.5	165.8	-73.9	164.1	0	0	0	107.1	H7 N11	H7-L9 PolarHBondContact O-N 3.44Å; L9-N11 PolarHBondContact O-N 3.34Å; L9-N11 VanDerWaalsContact O-N 3.12Å
10	L	31.2	Very low	28.3	Very low	124 Å²	124	146.5 Å²	146.5	65%	0.649	76%	0.762	S	S	*	*			trans	-56	114.4	145.6	-77	166.2	0	0	0	104.4	I8 R12	I8-L10 HydrophobicContact CG2-CG 4.37Å; I8-L10 PolarHBondContact O-N 2.98Å; L10-R12 PolarHBondContact O-N 2.96Å
11	N	27.3	Very low	28.3	Very low	155 Å²	155	150 Å²	150	83%	0.829	77%	0.766	S	S	*	*			trans	-40.4	104.5	176.5	-88.9	-25.6	0	0	0	108.5	L9 A13	L9-N11 PolarHBondContact O-N 3.34Å; L9-N11 VanDerWaalsContact O-N 3.12Å; N11-A13 PolarHBondContact O-N 3.04Å
12	R	24.4	Very low	27.8	Very low	225 Å²	225	146.6 Å²	146.6	85%	0.849	75%	0.752	S	S	*	*			trans	-68.4	84.6	168.2	-72.5	-178.7	174.7	-178.5	-1.4	105.2	L10 P14	L10-R12 PolarHBondContact O-N 2.96Å; R12-P14 VanDerWaalsContact O-CD 3.23Å; R12-P14 WeakPolarHBondContact O-CD 3.35Å
13	A	26.8	Very low	28	Very low	83 Å²	83	142.8 Å²	142.8	69%	0.686	75%	0.747	S	S	*	*			trans	-69.7	107	135.3	0	0	0	0	0	104	N11 I15	N11-A13 PolarHBondContact O-N 3.04Å; A13-I15 PolarHBondContact O-N 3.26Å
14	P	27.1	Very low	27.9	Very low	110 Å²	110	142 Å²	142	71%	0.714	75%	0.751	S	S	*	*			trans	-62.7	111	177.8	25.5	-30	0	0	0	106.8	R12 S16	R12-P14 VanDerWaalsContact O-CD 3.23Å; R12-P14 WeakPolarHBondContact O-CD 3.35Å; P14-S16 PolarHBondContact O-N 2.97Å
15	I	28	Very low	28	Very low	151 Å²	151	138.5 Å²	138.5	77%	0.774	75%	0.753	S	S	*	*			trans	-65.4	88.6	152.1	-59.8	171	0	0	0	103.3	A13 F17	A13-I15 PolarHBondContact O-N 3.26Å; I15-F17 VanDerWaalsContact C-N 3.29Å; I15-F17 PolarHBondContact O-N 3.44Å
16	S	27.2	Very low	28	Very low	90 Å²	90	138.9 Å²	138.9	63%	0.629	76%	0.758	S	S	*	*			trans	-60.7	100.5	170.5	56.1	0	0	0	0	106.1	P14 V18	P14-S16 PolarHBondContact O-N 2.97Å; S16-V18 VanDerWaalsContact C-N 3.27Å; S16-V18 PolarHBondContact O-N 3.16Å
17	F	28.1	Very low	28.2	Very low	187 Å²	187	140.2 Å²	140.2	82%	0.82	76%	0.76	S	S	*	*			trans	-54.7	104.5	154.7	-86.8	-92.7	0	0	0	105.4	I15 N19	I15-F17 VanDerWaalsContact C-N 3.29Å; I15-F17 PolarHBondContact O-N 3.44Å; F17-N19 PolarHBondContact O-N 3.49Å
18	V	28.7	Very low	28.3	Very low	118 Å²	118	139.6 Å²	139.6	72%	0.715	76%	0.761	S	S	*	*			trans	-63.9	87.9	170.2	177.5	0	0	0	0	105.8	S16 K20	S16-V18 VanDerWaalsContact C-N 3.27Å; S16-V18 PolarHBondContact O-N 3.16Å; V18-K20 VanDerWaalsContact C-N 3.26Å; V18-K20 HydrophobicContact CG1-CG 4.24Å; V18-K20 PolarHBondContact O-N 3.23Å
19	N	25.3	Very low	28.4	Very low	146 Å²	146	143.6 Å²	143.6	78%	0.781	78%	0.778	S	S	*	*			trans	-72.1	90.8	170.9	-131.7	-4	0	0	0	105.5	F17 R21	F17-N19 PolarHBondContact O-N 3.49Å; N19-R21 PolarHBondContact O-N 3.17Å
20	K	30.6	Very low	28.4	Very low	188 Å²	188	142.7 Å²	142.7	82%	0.817	78%	0.784	S	S	*	*			trans	-64.4	87.4	168.1	-79.4	-174.2	177.2	-179.5	0	108	V18	V18-K20 VanDerWaalsContact C-N 3.26Å; V18-K20 HydrophobicContact CG1-CG 4.24Å; V18-K20 PolarHBondContact O-N 3.23Å
21	R	28.3	Very low	28.5	Very low	220 Å²	220	141 Å²	141	83%	0.83	79%	0.788	S	S	*	*			trans	-167.6	124.4	159.7	-100.2	156.9	-158	-152.7	6.4	107.3	N19	N19-R21 PolarHBondContact O-N 3.17Å
22	N	26.6	Very low	28.7	Very low	160 Å²	160	140.8 Å²	140.8	86%	0.856	79%	0.786	S	S	*	*			trans	96.9	68.8	174	-51.1	-14.5	0	0	0	116.6
23	T	31.2	Very low	29.1	Very low	138 Å²	138	137.1 Å²	137.1	85%	0.847	79%	0.789	S	S	*	*			trans	-136.2	140.4	136.3	41	0	0	0	0	109.6
24	P	26.7	Very low	29.4	Very low	122 Å²	122	140 Å²	140	79%	0.792	79%	0.792	S	S	*	*			trans	-78.9	148.5	-162.1	-8.4	26.8	0	0	0	113	S26	P24-S26 PolarHBondContact O-N 3.4Å
25	A	25.6	Very low	29.9	Very low	107 Å²	107	137.9 Å²	137.9	88%	0.884	79%	0.791	S	S	*	*			trans	-58.3	128.4	174.4	0	0	0	0	0	111.4
26	S	29.9	Very low	30.5	Very low	116 Å²	116	138.3 Å²	138.3	81%	0.811	80%	0.795	S	S	*	*			trans	-116.9	133.9	158.9	-75.9	0	0	0	0	108.2	P24	P24-S26 PolarHBondContact O-N 3.4Å
27	P	34.7	Very low	31.2	Very low	115 Å²	115	140.1 Å²	140.1	75%	0.747	80%	0.802	S	S	*	*			trans	-94.2	122.8	-168	33.7	-28.4	0	0	0	110.4
28	L	30.7	Very low	32.1	Very low	157 Å²	157	136.7 Å²	136.7	82%	0.822	80%	0.8	S	S	*	*			trans	-160.7	116.5	151.9	-97.2	132.7	0	0	0	109.8
29	H	32.4	Very low	33.2	Very low	164 Å²	164	139.4 Å²	139.4	76%	0.759	81%	0.805	S	S	*	*			trans	74.3	93	153.3	-76.9	49.1	0	0	0	118.5	A31	H29-A31 PolarHBondContact O-N 2.91Å
30	S	26.3	Very low	34.8	Very low	121 Å²	121	142.2 Å²	142.2	85%	0.846	81%	0.81	S	S	*	*			trans	-28.9	111.2	138.2	48.7	0	0	0	0	113.8
31	A	32.8	Very low	37.1	Very low	89 Å²	89	140.9 Å²	140.9	74%	0.736	80%	0.804	S	S	*	*			trans	-152.9	112.7	152.8	0	0	0	0	0	109.4	H29	H29-A31 PolarHBondContact O-N 2.91Å
32	N	31.1	Very low	40	Very low	149 Å²	149	137 Å²	137	80%	0.797	79%	0.793	S	S	*	*			trans	54.4	97.9	161.3	-66.3	-17	0	0	0	119	N34	N32-N34 PolarHBondContact O-N 3.19Å
33	V	32.1	Very low	43.3	Very low	149 Å²	149	131.6 Å²	131.6	90%	0.903	77%	0.767	S	S	*	*			trans	-67.4	77.5	154	-175.2	0	0	0	0	108.4
34	N	34.8	Very low	46.5	Very low	142 Å²	142	126.2 Å²	126.2	76%	0.759	73%	0.733	S	S	*	*			trans	-94.9	114.3	150.5	-87.3	-10	0	0	0	105.2	N32 D36	N32-N34 PolarHBondContact O-N 3.19Å; N34-D36 PolarHBondContact O-N 3.07Å
35	G	36	Very low	49.9	Very low	66 Å²	66	121 Å²	121	68%	0.68	70%	0.698	S	S	*	*			trans	-51.7	116.8	-179.2	0	0	0	0	0	109.8	V37	G35-V37 PolarHBondContact O-N 3.47Å
36	D	40.9	Very low	53.3	Low	161 Å²	161	115.9 Å²	115.9	86%	0.861	66%	0.656	S	S	*	*			trans	-57.6	92.7	164.3	-88.5	-27.9	0	0	0	106.8	N34 C38	N34-D36 PolarHBondContact O-N 3.07Å; D36-C38 PolarHBondContact O-N 2.96Å
37	V	43	Very low	56.6	Low	127 Å²	127	110.4 Å²	110.4	77%	0.77	62%	0.617	S	S	*	*			trans	-58.3	99	151.2	179	0	0	0	0	103	G35 E39	G35-V37 PolarHBondContact O-N 3.47Å; V37-E39 PolarHBondContact O-N 3.47Å
38	C	46.7	Very low	59.6	Low	115 Å²	115	105 Å²	105	78%	0.777	58%	0.582	S	S	*	*			trans	-52.5	96.1	168.4	-116.8	0	0	0	0	105.8	D36 K40	D36-C38 PolarHBondContact O-N 2.96Å; C38-K40 PolarHBondContact O-N 3.24Å
39	E	51.1	Low	62.7	Low	176 Å²	176	98.4 Å²	98.4	82%	0.822	55%	0.547	S	S	*	.			trans	-52.5	113.1	174.3	-85.7	-172.8	155.1	0	0	105.5	V37 K41	V37-E39 PolarHBondContact O-N 3.47Å; E39-K41 VanDerWaalsContact C-N 3.33Å; E39-K41 PolarHBondContact O-N 2.94Å
40	K	59.4	Low	65.5	Low	204 Å²	204	92.5 Å²	92.5	89%	0.887	52%	0.519	S	S	*	.			trans	-62.6	102.6	-179.4	-74.8	-175.9	179.2	178.4	0	106.1	C38 K42	C38-K40 PolarHBondContact O-N 3.24Å; K40-K42 PolarHBondContact O-N 3.34Å
41	K	78.2	Confident	68.3	Low	161 Å²	161	90.1 Å²	90.1	70%	0.7	50%	0.497	S	S	*	.			trans	-45.2	135.7	175.1	-68.4	-175.8	177.9	-177.6	0	108.5	E39 N69	E39-K41 VanDerWaalsContact C-N 3.33Å; E39-K41 PolarHBondContact O-N 2.94Å; K41-N69 PolarHBondContact O-ND2 3.46Å
42	K	90	Very high	70.6	Confident	137 Å²	137	86.4 Å²	86.4	60%	0.596	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-52.6	139.4	175.5	-170.9	179.7	176	-178.8	0	109.4	K40 E81 R337	K40-K42 PolarHBondContact O-N 3.34Å; K42-E81 IonicContact NZ-OE2 3.83Å; K42-E81 PolarHBondContact NZ-OE2 3.28Å; K42-R337 PolarHBondContact O-NH2 2.84Å
43	P	95.6	Very high	72.6	Confident	47 Å²	47	82.1 Å²	82.1	31%	0.305	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-62.5	139.8	175.7	24.6	-33.9	0	0	0	110.8	N69 R71	P43-N69 WeakPolarHBondContact CA-O 3.36Å; P43-N69 WeakPolarHBondContact CB-O 3.28Å; P43-R71 HydrophobicContact CB-CB 4.27Å
44	L	97.7	Very high	74.6	Confident	26 Å²	26	78.9 Å²	78.9	14%	0.136	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.5	169.3	-62.4	-178.7	0	0	0	108.6	N69 C70 R71 S83 L336 R337 A340	L44-N69 PolarHBondContact N-O 3.12Å; L44-C70 CarbonylContact O-C 3.52Å; L44-C70 VanDerWaalsContact O-CA 3.27Å; L44-C70 WeakPolarHBondContact O-CA 3.48Å; L44-R71 PolarHBondContact O-N 3.4Å; L44-S83 WeakPolarHBondContact CD2-OG 3.31Å; L44-L336 HydrophobicContact CD1-CB 3.92Å; L44-L336 WeakPolarHBondContact CD1-O 3.36Å; L44-R337 HydrophobicContact CD1-CG 4Å; L44-A340 HydrophobicContact CD1-CB 4.36Å
45	L	98.3	Very high	76.6	Confident	12 Å²	12	72.8 Å²	72.8	6%	0.063	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.8	-177.2	-58.7	-179.2	0	0	0	110.8	R71 L78 E81 S83 A84	L45-R71 WeakPolarHBondContact CA-O 3.45Å; L45-R71 HydrophobicContact CD2-CB 3.96Å; L45-R71 HydrophobicContact CD2-CG 4.31Å; L45-L78 HydrophobicContact CD1-CB 4.22Å; L45-L78 HydrophobicContact CD1-CD1 4.11Å; L45-E81 HydrophobicContact CD1-CB 4.06Å; L45-S83 PolarHBondContact O-N 3.21Å; L45-A84 PolarHBondContact O-N 2.85Å
46	I	98.6	Very high	79.1	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	106.8	169.8	-58.8	172.1	0	0	0	106.3	M48 C70 R71 I72 T73 V86 L332 L336	I46-M48 HydrophobicContact CG2-SD 4.35Å; I46-C70 HydrophobicContact CD1-CB 4.13Å; I46-R71 PolarHBondContact N-O 2.9Å; I46-I72 HydrophobicContact CB-CG1 4.2Å; I46-I72 HydrophobicContact CD1-CG1 4.48Å; I46-I72 HydrophobicContact CG2-CG1 4.46Å; I46-I72 WeakPolarHBondContact O-CA 3.42Å; I46-T73 PolarHBondContact O-N 3.06Å; I46-V86 HydrophobicContact CG2-CG2 3.67Å; I46-L332 HydrophobicContact CD1-CD2 4.12Å; I46-L332 HydrophobicContact CD1-CG 4.19Å; I46-L332 HydrophobicContact CG2-CD2 3.96Å; I46-L336 HydrophobicContact CD1-CD1 4.09Å; I46-L336 HydrophobicContact CG1-CD1 3.64Å
47	L	98.3	Very high	81.6	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	114.7	177.2	175.5	59	0	0	0	109.5	W49 T73 D75 I79 S82 A84 I85 V86	L47-W49 HydrophobicContact CD2-CE3 4.3Å; L47-W49 PolarHBondContact O-N 3.34Å; L47-T73 WeakPolarHBondContact CA-O 3.36Å; L47-T73 HydrophobicContact CB-CG2 4.36Å; L47-T73 HydrophobicContact CD1-CG2 4.06Å; L47-D75 WeakPolarHBondContact CD1-O 3.36Å; L47-I79 HydrophobicContact CD2-CB 3.93Å; L47-I79 HydrophobicContact CD2-CG1 4.22Å; L47-S82 WeakPolarHBondContact CB-OG 3.3Å; L47-A84 PolarHBondContact N-O 3.43Å; L47-I85 HydrophobicContact CB-CG1 4.33Å; L47-I85 HydrophobicContact CD2-CG1 4.12Å; L47-I85 CarbonylContact O-C 3.47Å; L47-I85 VanDerWaalsContact O-CA 3.31Å; L47-I85 WeakPolarHBondContact O-CA 3.46Å; L47-V86 PolarHBondContact O-N 3.36Å
48	M	97.4	Very high	84	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	113.6	168	-57.9	-59.7	-64.4	0	0	107.5	I46 I57 I72 T73 F74 V86 F111	I46-M48 HydrophobicContact CG2-SD 4.35Å; M48-I57 HydrophobicContact CE-CB 4.3Å; M48-I57 HydrophobicContact CE-CD1 4.26Å; M48-I72 HydrophobicContact CG-CG2 3.58Å; M48-I72 HydrophobicContact SD-CG2 4.45Å; M48-T73 PolarHBondContact N-O 2.9Å; M48-F74 HydrophobicContact CB-CD1 3.62Å; M48-F74 HydrophobicContact CB-CE1 3.31Å; M48-F74 HydrophobicContact CB-CE2 4.43Å; M48-F74 HydrophobicContact CB-CG 4.31Å; M48-F74 HydrophobicContact CB-CZ 3.77Å; M48-F74 HydrophobicContact CG-CE1 3.93Å; M48-F74 HydrophobicContact CG-CE2 4.35Å; M48-F74 HydrophobicContact CG-CZ 3.84Å; M48-V86 HydrophobicContact CE-CB 4.08Å; M48-V86 HydrophobicContact CE-CG1 3.83Å; M48-V86 HydrophobicContact SD-CB 3.66Å; M48-V86 HydrophobicContact SD-CG1 4.01Å; M48-V86 HydrophobicContact SD-CG2 3.9Å; M48-F111 HydrophobicContact CE-CD1 4.46Å
49	W	96.4	Very high	86.4	Confident	20 Å²	20	60.1 Å²	60.1	8%	0.076	30%	0.296	C	S	.	.	S	Bend	trans	-69.3	-40	-175	-172.4	-105.3	0	0	0	112.4	L47 R76 I79 I85 V86 D96 P98	L47-W49 HydrophobicContact CD2-CE3 4.3Å; L47-W49 PolarHBondContact O-N 3.34Å; W49-R76 HydrophobicContact CE3-CG 4.17Å; W49-R76 HydrophobicContact CH2-CG 4.34Å; W49-R76 HydrophobicContact CZ3-CB 4.21Å; W49-R76 HydrophobicContact CZ3-CG 3.87Å; W49-R76 PolarHBondContact O-NE 3.15Å; W49-R76 PolarHBondContact O-NH2 3.42Å; W49-I79 HydrophobicContact CZ3-CD1 4.09Å; W49-I85 HydrophobicContact CB-CG2 3.86Å; W49-I85 HydrophobicContact CE3-CG2 4.26Å; W49-I85 HydrophobicContact CG-CG2 4.44Å; W49-V86 WeakPolarHBondContact CB-O 3.43Å; W49-V86 PolarHBondContact N-O 2.86Å; W49-D96 PolarHBondContact NE1-O 3.27Å; W49-P98 HydrophobicContact CD2-CB 4.42Å; W49-P98 HydrophobicContact CE3-CB 4.13Å; W49-P98 HydrophobicContact CH2-CB 3.99Å; W49-P98 HydrophobicContact CZ2-CB 4.3Å; W49-P98 HydrophobicContact CZ3-CB 3.91Å
50	E	91.3	Very high	88.5	Confident	39 Å²	39	56.7 Å²	56.7	18%	0.182	28%	0.281	C	S	.	.	S	Bend	trans	-125.8	152.6	173.7	-60.7	-59.4	160.7	0	0	109	R76 L92	E50-R76 VanDerWaalsContact CD-NH2 3.27Å; E50-R76 IonicContact OE1-CZ 3.46Å; E50-R76 IonicContact OE1-NH2 3.69Å; E50-R76 PolarHBondContact OE1-NH2 2.96Å; E50-R76 IonicContact OE2-NH2 2.7Å; E50-R76 PolarHBondContact OE2-NH2 3.07Å; E50-L92 HydrophobicContact CG-CD1 4.38Å
51	D	85.2	Confident	90.3	Very high	71 Å²	71	47.9 Å²	47.9	38%	0.38	24%	0.242	S	C	.	.			trans	-72	145.8	166.9	-151.8	-6.9	0	0	0	110.7	H56 F74 T91	D51-H56 IonicContact OD1-ND1 3.34Å; D51-H56 PolarHBondContact OD1-ND1 2.89Å; D51-H56 IonicContact OD2-CE1 2.68Å; D51-H56 IonicContact OD2-CG 2.91Å; D51-H56 IonicContact OD2-ND1 2.91Å; D51-H56 PolarHBondContact OD2-ND1 3.08Å; D51-F74 HydrophobicContact CB-CE1 4.11Å; D51-T91 PolarHBondContact O-OG1 2.93Å
52	Y	81.6	Confident	91.2	Very high	12 Å²	12	40.7 Å²	40.7	5%	0.047	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-83.7	129.8	176.5	168.5	-124.5	0	0	0	109.7	D54 A55 I57 Y88 F321 Y325	Y52-D54 HydrophobicContact CD1-CB 4.43Å; Y52-D54 HydrophobicContact CE1-CB 3.56Å; Y52-D54 HydrophobicContact CE2-CB 4.18Å; Y52-D54 VanDerWaalsContact CE2-OD2 3.27Å; Y52-D54 WeakPolarHBondContact CE2-OD2 3.44Å; Y52-D54 VanDerWaalsContact CZ-CB 3.49Å; Y52-D54 VanDerWaalsContact CZ-OD2 3.3Å; Y52-D54 PolarHBondContact O-N 2.92Å; Y52-D54 VanDerWaalsContact O-N 3.1Å; Y52-D54 WeakPolarHBondContact OH-CB 3.27Å; Y52-D54 PolarHBondContact OH-OD2 3.19Å; Y52-A55 WeakPolarHBondContact CB-O 3.38Å; Y52-A55 HydrophobicContact CD1-CB 3.88Å; Y52-A55 VanDerWaalsContact CD1-N 3.26Å; Y52-A55 WeakPolarHBondContact CD1-O 3.42Å; Y52-A55 HydrophobicContact CE1-CB 4.1Å; Y52-A55 CarbonylContact O-C 3.54Å; Y52-A55 PolarHBondContact O-N 3.34Å; Y52-A55 VanDerWaalsContact O-O 3.13Å; Y52-I57 HydrophobicContact CD1-CD1 4.36Å; Y52-Y88 AromaticContact CD2-CD1 3.74Å; Y52-Y88 HydrophobicContact CD2-CD1 3.74Å; Y52-Y88 AromaticContact CD2-CD2 3.87Å; Y52-Y88 HydrophobicContact CD2-CD2 3.87Å; Y52-Y88 AromaticContact CD2-CE1 3.36Å; Y52-Y88 HydrophobicContact CD2-CE1 3.36Å; Y52-Y88 AromaticContact CD2-CE2 3.51Å; Y52-Y88 HydrophobicContact CD2-CE2 3.51Å; Y52-Y88 HydrophobicContact CD2-CG 4Å; Y52-Y88 AromaticContact CD2-CZ 3.28Å; Y52-Y88 HydrophobicContact CE2-CD1 4.49Å; Y52-Y88 HydrophobicContact CE2-CD2 4.41Å; Y52-Y88 AromaticContact CE2-CE1 3.69Å; Y52-Y88 HydrophobicContact CE2-CE1 3.69Å; Y52-Y88 AromaticContact CE2-CE2 3.6Å; Y52-Y88 HydrophobicContact CE2-CE2 3.6Å; Y52-Y88 AromaticContact CE2-CZ 3.22Å; Y52-Y88 WeakPolarHBondContact CE2-OH 3.26Å; Y52-F321 HydrophobicContact CE1-CZ 4.33Å; Y52-Y325 HydrophobicContact CD1-CE2 4.39Å; Y52-Y325 HydrophobicContact CE1-CE2 4.12Å; Y52-Y325 AromaticContact CE1-CZ 3.72Å; Y52-Y325 WeakPolarHBondContact CE1-OH 3.49Å; Y52-Y325 PolarHBondContact OH-OH 2.65Å
53	S	72.1	Confident	91.5	Very high	58 Å²	58	38.5 Å²	38.5	41%	0.406	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.6	-173.2	49.6	0	0	0	0	115.4	R90	S53-R90 VanDerWaalsContact CB-NH2 3.33Å; S53-R90 PolarHBondContact OG-NH2 2.03Å
54	D	73.1	Confident	91.6	Very high	82 Å²	82	44.1 Å²	44.1	44%	0.439	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-6.1	-171.4	-49.3	-87.9	0	0	0	113.4	Y52	Y52-D54 HydrophobicContact CD1-CB 4.43Å; Y52-D54 HydrophobicContact CE1-CB 3.56Å; Y52-D54 HydrophobicContact CE2-CB 4.18Å; Y52-D54 VanDerWaalsContact CE2-OD2 3.27Å; Y52-D54 WeakPolarHBondContact CE2-OD2 3.44Å; Y52-D54 VanDerWaalsContact CZ-CB 3.49Å; Y52-D54 VanDerWaalsContact CZ-OD2 3.3Å; Y52-D54 PolarHBondContact O-N 2.92Å; Y52-D54 VanDerWaalsContact O-N 3.1Å; Y52-D54 WeakPolarHBondContact OH-CB 3.27Å; Y52-D54 PolarHBondContact OH-OD2 3.19Å
55	A	78.2	Confident	91.6	Very high	14 Å²	14	43.4 Å²	43.4	12%	0.116	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-162.7	137.2	172	0	0	0	0	0	111.9	Y52 I57 Y325	Y52-A55 WeakPolarHBondContact CB-O 3.38Å; Y52-A55 HydrophobicContact CD1-CB 3.88Å; Y52-A55 VanDerWaalsContact CD1-N 3.26Å; Y52-A55 WeakPolarHBondContact CD1-O 3.42Å; Y52-A55 HydrophobicContact CE1-CB 4.1Å; Y52-A55 CarbonylContact O-C 3.54Å; Y52-A55 PolarHBondContact O-N 3.34Å; Y52-A55 VanDerWaalsContact O-O 3.13Å; A55-I57 PolarHBondContact O-N 3.42Å; A55-I57 VanDerWaalsContact O-N 3.14Å; A55-Y325 HydrophobicContact CB-CD2 4.4Å; A55-Y325 HydrophobicContact CB-CE2 3.81Å
56	H	88.9	Confident	91.5	Very high	102 Å²	102	47.2 Å²	47.2	47%	0.472	24%	0.242	S	C	.	.			trans	-75.6	99.6	168.3	-175.4	67	0	0	0	110.2	D51 S58 F74	D51-H56 IonicContact OD1-ND1 3.34Å; D51-H56 PolarHBondContact OD1-ND1 2.89Å; D51-H56 IonicContact OD2-CE1 2.68Å; D51-H56 IonicContact OD2-CG 2.91Å; D51-H56 IonicContact OD2-ND1 2.91Å; D51-H56 PolarHBondContact OD2-ND1 3.08Å; H56-S58 PolarHBondContact O-N 2.71Å; H56-F74 AromaticContact CE1-CD2 3.75Å; H56-F74 AromaticContact CE1-CE2 3.22Å; H56-F74 WeakPolarHBondContact CE1-CE2 3.35Å; H56-F74 AromaticContact CE1-CZ 3.53Å; H56-F74 AromaticContact ND1-CE2 3.94Å; H56-F74 AromaticContact ND1-CZ 3.79Å; H56-F74 AromaticContact NE2-CE2 3.71Å
57	I	92.7	Very high	91.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.			trans	-77.5	90.2	-177.7	-55.9	-179.1	0	0	0	109.4	M48 Y52 A55 Y61 I72 F74 F111 Y325 M329	M48-I57 HydrophobicContact CE-CB 4.3Å; M48-I57 HydrophobicContact CE-CD1 4.26Å; Y52-I57 HydrophobicContact CD1-CD1 4.36Å; A55-I57 PolarHBondContact O-N 3.42Å; A55-I57 VanDerWaalsContact O-N 3.14Å; I57-Y61 HydrophobicContact CB-CD2 4.27Å; I57-Y61 HydrophobicContact CB-CE2 4.5Å; I57-Y61 HydrophobicContact CG2-CD2 3.84Å; I57-Y61 HydrophobicContact CG2-CG 4.41Å; I57-I72 HydrophobicContact CG2-CD1 4.29Å; I57-I72 VanDerWaalsContact O-CG2 3.32Å; I57-I72 WeakPolarHBondContact O-CG2 3.45Å; I57-F74 WeakPolarHBondContact O-CE2 3.46Å; I57-F74 WeakPolarHBondContact O-CZ 3.22Å; I57-F111 HydrophobicContact CD1-CE1 3.51Å; I57-F111 HydrophobicContact CD1-CZ 3.75Å; I57-Y325 HydrophobicContact CD1-CD1 4.11Å; I57-Y325 HydrophobicContact CD1-CD2 4.43Å; I57-Y325 HydrophobicContact CD1-CE1 4.18Å; I57-Y325 HydrophobicContact CD1-CE2 4.48Å; I57-Y325 HydrophobicContact CD1-CG 4.31Å; I57-Y325 HydrophobicContact CG1-CD2 4.35Å; I57-M329 HydrophobicContact CG2-CE 4.11Å; I57-M329 HydrophobicContact CG2-CG 3.93Å; I57-M329 HydrophobicContact CG2-SD 3.82Å
58	S	94.1	Very high	91.3	Very high	35 Å²	35	55.8 Å²	55.8	25%	0.245	29%	0.288	C	S	.	.			trans	-102.5	-176.7	-179.5	78.2	0	0	0	0	113.1	H56 E60 Y61 I72	H56-S58 PolarHBondContact O-N 2.71Å; S58-E60 PolarHBondContact O-N 3.34Å; S58-E60 PolarHBondContact OG-N 3.19Å; S58-Y61 PolarHBondContact O-N 3.29Å; S58-I72 VanDerWaalsContact O-CD1 3.29Å; S58-I72 WeakPolarHBondContact O-CD1 3.5Å
59	N	96.7	Very high	91.3	Very high	65 Å²	65	58.5 Å²	58.5	35%	0.348	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-56	-18.7	175.2	-71.9	-62.6	0	0	0	114.3	Y61 L62 R71 I72	N59-Y61 PolarHBondContact O-N 3.11Å; N59-L62 PolarHBondContact O-N 3.31Å; N59-R71 WeakPolarHBondContact OD1-CA 3.44Å; N59-R71 WeakPolarHBondContact OD1-CG 3.42Å; N59-I72 PolarHBondContact ND2-O 3.18Å; N59-I72 PolarHBondContact OD1-N 3.35Å
60	E	95.5	Very high	91.4	Very high	105 Å²	105	58.3 Å²	58.3	49%	0.491	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-54.7	-36.4	172.5	-168.2	-165.3	157.2	0	0	111.4	S58 L62 K63 H326	S58-E60 PolarHBondContact O-N 3.34Å; S58-E60 PolarHBondContact OG-N 3.19Å; E60-L62 PolarHBondContact O-N 2.97Å; E60-L62 VanDerWaalsContact O-N 3.14Å; E60-K63 HydrophobicContact CG-CD 4.15Å; E60-K63 VanDerWaalsContact O-CB 3.32Å; E60-K63 WeakPolarHBondContact O-CB 3.47Å; E60-K63 WeakPolarHBondContact O-CD 3.47Å; E60-K63 VanDerWaalsContact O-CG 3.26Å; E60-K63 WeakPolarHBondContact O-CG 3.47Å; E60-K63 PolarHBondContact O-N 3.13Å; E60-K63 VanDerWaalsContact O-N 3.09Å; E60-K63 IonicContact OE1-NZ 2.73Å; E60-K63 PolarHBondContact OE1-NZ 3.37Å; E60-H326 PolarHBondContact O-CE1 2.9Å
61	Y	95.9	Very high	91.8	Very high	19 Å²	19	62.8 Å²	62.8	8%	0.075	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-69.7	-12.2	-177.7	-68.2	-71.2	0	0	0	114.1	I57 S58 N59 P322 Y325 H326	I57-Y61 HydrophobicContact CB-CD2 4.27Å; I57-Y61 HydrophobicContact CB-CE2 4.5Å; I57-Y61 HydrophobicContact CG2-CD2 3.84Å; I57-Y61 HydrophobicContact CG2-CG 4.41Å; S58-Y61 PolarHBondContact O-N 3.29Å; N59-Y61 PolarHBondContact O-N 3.11Å; Y61-P322 HydrophobicContact CE1-CB 4.45Å; Y61-P322 HydrophobicContact CE1-CG 4.43Å; Y61-P322 VanDerWaalsContact OH-CG 3.29Å; Y61-P322 WeakPolarHBondContact OH-CG 3.49Å; Y61-Y325 HydrophobicContact CD1-CG 4.44Å; Y61-Y325 AromaticContact CE1-CD2 3.92Å; Y61-Y325 HydrophobicContact CE1-CD2 3.92Å; Y61-Y325 HydrophobicContact CE1-CG 4.26Å; Y61-Y325 HydrophobicContact CE2-CD2 4.43Å; Y61-Y325 AromaticContact CZ-CD2 3.86Å; Y61-H326 WeakPolarHBondContact CA-ND1 3.23Å; Y61-H326 AromaticContact CD1-CE1 3.66Å; Y61-H326 AromaticContact CD1-ND1 3.84Å; Y61-H326 AromaticContact CD1-NE2 3.89Å; Y61-H326 WeakPolarHBondContact O-CA 3.22Å; Y61-H326 PolarHBondContact O-ND1 3.46Å
62	L	97.9	Very high	92.4	Very high	10 Å²	10	59.6 Å²	59.6	5%	0.052	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-94.1	0.4	174.3	-66.4	171	0	0	0	113.8	N59 E60 Y64 C65 S66 C70 I72 M329 C333	N59-L62 PolarHBondContact O-N 3.31Å; E60-L62 PolarHBondContact O-N 2.97Å; E60-L62 VanDerWaalsContact O-N 3.14Å; L62-Y64 PolarHBondContact O-N 3.23Å; L62-Y64 VanDerWaalsContact O-N 3.08Å; L62-C65 CarbonylContact O-C 3.44Å; L62-C65 PolarHBondContact O-N 2.64Å; L62-C65 PolarHBondContact O-SG 3.04Å; L62-S66 PolarHBondContact O-N 3.37Å; L62-C70 HydrophobicContact CD1-CB 4.02Å; L62-C70 WeakPolarHBondContact CD1-O 3.49Å; L62-I72 HydrophobicContact CD1-CD1 3.88Å; L62-I72 HydrophobicContact CD1-CG1 3.84Å; L62-I72 HydrophobicContact CG-CD1 3.9Å; L62-I72 HydrophobicContact CG-CG1 4.39Å; L62-M329 HydrophobicContact CD2-CB 3.85Å; L62-M329 HydrophobicContact CG-CB 4.44Å; L62-C333 HydrophobicContact CD2-CB 4.05Å
63	K	96.9	Very high	93.1	Very high	91 Å²	91	59.7 Å²	59.7	40%	0.396	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-58	-28.6	-172.1	72.5	-169.9	176.6	-160.2	0	115.1	E60 C65 H326	E60-K63 HydrophobicContact CG-CD 4.15Å; E60-K63 VanDerWaalsContact O-CB 3.32Å; E60-K63 WeakPolarHBondContact O-CB 3.47Å; E60-K63 WeakPolarHBondContact O-CD 3.47Å; E60-K63 VanDerWaalsContact O-CG 3.26Å; E60-K63 WeakPolarHBondContact O-CG 3.47Å; E60-K63 PolarHBondContact O-N 3.13Å; E60-K63 VanDerWaalsContact O-N 3.09Å; E60-K63 IonicContact OE1-NZ 2.73Å; E60-K63 PolarHBondContact OE1-NZ 3.37Å; K63-C65 VanDerWaalsContact C-N 3.34Å; K63-H326 WeakPolarHBondContact CE-CE1 3.43Å
64	Y	96.4	Very high	94.3	Very high	165 Å²	165	60 Å²	60	65%	0.647	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-88.5	1.9	-179.4	-59.5	-55.7	0	0	0	114.1	L62 H326	L62-Y64 PolarHBondContact O-N 3.23Å; L62-Y64 VanDerWaalsContact O-N 3.08Å; Y64-H326 HydrophobicContact CD2-CB 3.83Å; Y64-H326 AromaticContact CD2-CG 3.57Å; Y64-H326 AromaticContact CD2-ND1 3.62Å; Y64-H326 HydrophobicContact CE2-CB 4.27Å; Y64-H326 AromaticContact CE2-CD2 3.63Å; Y64-H326 AromaticContact CE2-CE1 3.87Å; Y64-H326 AromaticContact CE2-CG 3.64Å; Y64-H326 AromaticContact CE2-ND1 3.77Å; Y64-H326 AromaticContact CE2-NE2 3.76Å
65	C	97.7	Very high	95.5	Very high	10 Å²	10	59.8 Å²	59.8	7%	0.068	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-144.3	37.9	178.3	57.2	0	0	0	0	111.4	L62 K63 D67 L68 C330	L62-C65 CarbonylContact O-C 3.44Å; L62-C65 PolarHBondContact O-N 2.64Å; L62-C65 PolarHBondContact O-SG 3.04Å; K63-C65 VanDerWaalsContact C-N 3.34Å; C65-D67 VanDerWaalsContact CA-OD1 3.29Å; C65-D67 WeakPolarHBondContact CA-OD1 3.41Å; C65-D67 PolarHBondContact O-N 3.43Å; C65-L68 HydrophobicContact CB-CD1 3.82Å; C65-L68 HydrophobicContact CB-CG 4.13Å; C65-L68 WeakPolarHBondContact O-CB 3.34Å; C65-L68 PolarHBondContact O-N 3.4Å; C65-C330 HydrophobicContact CB-CB 3.68Å; C65-C330 WeakPolarHBondContact CB-SG 3.38Å; C65-C330 WeakPolarHBondContact SG-CA 3.45Å; C65-C330 WeakPolarHBondContact SG-CB 3.15Å; C65-C330 CovalentContact SG-SG 2.03Å; C65-C330 PolarHBondContact SG-SG 2.8Å
66	S	96.7	Very high	96.3	Very high	92 Å²	92	62.9 Å²	62.9	64%	0.643	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-62.3	-23.9	-178.3	54.9	0	0	0	0	113.1	L62 L68 N69	L62-S66 PolarHBondContact O-N 3.37Å; S66-L68 VanDerWaalsContact C-N 3.27Å; S66-L68 PolarHBondContact O-N 2.96Å; S66-N69 WeakPolarHBondContact O-CA 3.49Å; S66-N69 PolarHBondContact O-N 3.3Å
67	D	96.3	Very high	96.7	Very high	130 Å²	130	62.1 Å²	62.1	70%	0.695	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-63.6	-29.4	172.2	61	-53.4	0	0	0	113.1	C65 N69	C65-D67 VanDerWaalsContact CA-OD1 3.29Å; C65-D67 WeakPolarHBondContact CA-OD1 3.41Å; C65-D67 PolarHBondContact O-N 3.43Å; D67-N69 PolarHBondContact O-N 2.92Å
68	L	97.1	Very high	96.9	Very high	50 Å²	50	64 Å²	64	26%	0.262	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-72.3	-11.9	171	-58.1	179.8	0	0	0	112.2	C65 S66 C70 C333 R337	C65-L68 HydrophobicContact CB-CD1 3.82Å; C65-L68 HydrophobicContact CB-CG 4.13Å; C65-L68 WeakPolarHBondContact O-CB 3.34Å; C65-L68 PolarHBondContact O-N 3.4Å; S66-L68 VanDerWaalsContact C-N 3.27Å; S66-L68 PolarHBondContact O-N 2.96Å; L68-C70 PolarHBondContact O-N 2.84Å; L68-C333 WeakPolarHBondContact CB-SG 3.34Å; L68-C333 HydrophobicContact CD1-CB 4.25Å; L68-R337 HydrophobicContact CB-CG 4.5Å; L68-R337 PolarHBondContact O-NE 2.94Å; L68-R337 PolarHBondContact O-NH2 2.91Å
69	N	97	Very high	97.1	Very high	58 Å²	58	63.4 Å²	63.4	31%	0.31	32%	0.315	S	S	.	.			trans	53.9	44.4	168.9	-177	33.4	0	0	0	113.9	K41 P43 L44 S66 D67 R337	K41-N69 PolarHBondContact O-ND2 3.46Å; P43-N69 WeakPolarHBondContact CA-O 3.36Å; P43-N69 WeakPolarHBondContact CB-O 3.28Å; L44-N69 PolarHBondContact N-O 3.12Å; S66-N69 WeakPolarHBondContact O-CA 3.49Å; S66-N69 PolarHBondContact O-N 3.3Å; D67-N69 PolarHBondContact O-N 2.92Å; N69-R337 PolarHBondContact ND2-NH2 2.73Å; N69-R337 PolarHBondContact O-NH2 2.79Å
70	C	98.4	Very high	97.1	Very high	17 Å²	17	65.6 Å²	65.6	12%	0.115	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	163.1	166.5	-60.1	0	0	0	0	110.9	L44 I46 L62 L68 C333	L44-C70 CarbonylContact O-C 3.52Å; L44-C70 VanDerWaalsContact O-CA 3.27Å; L44-C70 WeakPolarHBondContact O-CA 3.48Å; I46-C70 HydrophobicContact CD1-CB 4.13Å; L62-C70 HydrophobicContact CD1-CB 4.02Å; L62-C70 WeakPolarHBondContact CD1-O 3.49Å; L68-C70 PolarHBondContact O-N 2.84Å; C70-C333 HydrophobicContact CB-CB 3.76Å; C70-C333 WeakPolarHBondContact CB-SG 3.19Å; C70-C333 WeakPolarHBondContact SG-CA 3.34Å; C70-C333 WeakPolarHBondContact SG-CB 3.35Å; C70-C333 CovalentContact SG-SG 2.02Å; C70-C333 PolarHBondContact SG-SG 3.02Å
71	R	98.3	Very high	97.1	Very high	133 Å²	133	65.2 Å²	65.2	50%	0.502	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	130.6	172.5	176.9	-179.8	160.8	112.4	-2.7	110.3	P43 L44 L45 I46 N59	P43-R71 HydrophobicContact CB-CB 4.27Å; L44-R71 PolarHBondContact O-N 3.4Å; L45-R71 WeakPolarHBondContact CA-O 3.45Å; L45-R71 HydrophobicContact CD2-CB 3.96Å; L45-R71 HydrophobicContact CD2-CG 4.31Å; I46-R71 PolarHBondContact N-O 2.9Å; N59-R71 WeakPolarHBondContact OD1-CA 3.44Å; N59-R71 WeakPolarHBondContact OD1-CG 3.42Å
72	I	98.2	Very high	97.2	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.021	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.8	171.8	-64	158.5	0	0	0	109.3	I46 M48 I57 S58 N59 L62 F74 M329	I46-I72 HydrophobicContact CB-CG1 4.2Å; I46-I72 HydrophobicContact CD1-CG1 4.48Å; I46-I72 HydrophobicContact CG2-CG1 4.46Å; I46-I72 WeakPolarHBondContact O-CA 3.42Å; M48-I72 HydrophobicContact CG-CG2 3.58Å; M48-I72 HydrophobicContact SD-CG2 4.45Å; I57-I72 HydrophobicContact CG2-CD1 4.29Å; I57-I72 VanDerWaalsContact O-CG2 3.32Å; I57-I72 WeakPolarHBondContact O-CG2 3.45Å; S58-I72 VanDerWaalsContact O-CD1 3.29Å; S58-I72 WeakPolarHBondContact O-CD1 3.5Å; N59-I72 PolarHBondContact ND2-O 3.18Å; N59-I72 PolarHBondContact OD1-N 3.35Å; L62-I72 HydrophobicContact CD1-CD1 3.88Å; L62-I72 HydrophobicContact CD1-CG1 3.84Å; L62-I72 HydrophobicContact CG-CD1 3.9Å; L62-I72 HydrophobicContact CG-CG1 4.39Å; I72-F74 HydrophobicContact CG2-CE2 4.33Å; I72-M329 HydrophobicContact CD1-CG 4.1Å; I72-M329 HydrophobicContact CD1-SD 4.02Å
73	T	97.6	Very high	97.2	Very high	13 Å²	13	64.7 Å²	64.7	8%	0.08	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	155.1	176.8	-172.4	0	0	0	0	110.8	I46 L47 M48 D75 L78	I46-T73 PolarHBondContact O-N 3.06Å; L47-T73 WeakPolarHBondContact CA-O 3.36Å; L47-T73 HydrophobicContact CB-CG2 4.36Å; L47-T73 HydrophobicContact CD1-CG2 4.06Å; M48-T73 PolarHBondContact N-O 2.9Å; T73-D75 WeakPolarHBondContact OG1-CB 3.41Å; T73-D75 PolarHBondContact OG1-N 3.39Å; T73-D75 VanDerWaalsContact OG1-N 3.14Å; T73-L78 HydrophobicContact CG2-CD1 4.23Å
74	F	96.7	Very high	97.3	Very high	65 Å²	65	60.4 Å²	60.4	29%	0.285	31%	0.307	S	S	.	.			trans	-113	1.8	170.7	-66.1	-94.7	0	0	0	111.4	M48 D51 H56 I57 I72 R76	M48-F74 HydrophobicContact CB-CD1 3.62Å; M48-F74 HydrophobicContact CB-CE1 3.31Å; M48-F74 HydrophobicContact CB-CE2 4.43Å; M48-F74 HydrophobicContact CB-CG 4.31Å; M48-F74 HydrophobicContact CB-CZ 3.77Å; M48-F74 HydrophobicContact CG-CE1 3.93Å; M48-F74 HydrophobicContact CG-CE2 4.35Å; M48-F74 HydrophobicContact CG-CZ 3.84Å; D51-F74 HydrophobicContact CB-CE1 4.11Å; H56-F74 AromaticContact CE1-CD2 3.75Å; H56-F74 AromaticContact CE1-CE2 3.22Å; H56-F74 WeakPolarHBondContact CE1-CE2 3.35Å; H56-F74 AromaticContact CE1-CZ 3.53Å; H56-F74 AromaticContact ND1-CE2 3.94Å; H56-F74 AromaticContact ND1-CZ 3.79Å; H56-F74 AromaticContact NE2-CE2 3.71Å; I57-F74 WeakPolarHBondContact O-CE2 3.46Å; I57-F74 WeakPolarHBondContact O-CZ 3.22Å; I72-F74 HydrophobicContact CG2-CE2 4.33Å; F74-R76 PolarHBondContact O-N 2.79Å; F74-R76 VanDerWaalsContact O-N 3.13Å
75	D	97.2	Very high	97.4	Very high	78 Å²	78	52.5 Å²	52.5	42%	0.417	28%	0.276	S	S	.	.			trans	-75.2	101.2	178.3	-176.1	-6.5	0	0	0	110.3	L47 T73 S77 L78	L47-D75 WeakPolarHBondContact CD1-O 3.36Å; T73-D75 WeakPolarHBondContact OG1-CB 3.41Å; T73-D75 PolarHBondContact OG1-N 3.39Å; T73-D75 VanDerWaalsContact OG1-N 3.14Å; D75-S77 PolarHBondContact O-N 3Å; D75-S77 VanDerWaalsContact OD1-CB 3.27Å; D75-S77 WeakPolarHBondContact OD1-CB 3.5Å; D75-S77 PolarHBondContact OD1-N 3.43Å; D75-S77 PolarHBondContact OD1-OG 3.29Å; D75-S77 PolarHBondContact OD2-OG 3.25Å; D75-L78 HydrophobicContact CB-CD1 4.1Å; D75-L78 HydrophobicContact CB-CG 4.26Å; D75-L78 WeakPolarHBondContact O-CB 3.29Å; D75-L78 PolarHBondContact O-N 3.39Å; D75-L78 VanDerWaalsContact O-N 3.11Å
76	R	96.5	Very high	97.4	Very high	78 Å²	78	52 Å²	52	29%	0.294	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-63.2	-18.9	-178.8	-66	-174.8	175.4	-179	1.2	113.5	W49 E50 F74 L78 I79 D96	W49-R76 HydrophobicContact CE3-CG 4.17Å; W49-R76 HydrophobicContact CH2-CG 4.34Å; W49-R76 HydrophobicContact CZ3-CB 4.21Å; W49-R76 HydrophobicContact CZ3-CG 3.87Å; W49-R76 PolarHBondContact O-NE 3.15Å; W49-R76 PolarHBondContact O-NH2 3.42Å; E50-R76 VanDerWaalsContact CD-NH2 3.27Å; E50-R76 IonicContact OE1-CZ 3.46Å; E50-R76 IonicContact OE1-NH2 3.69Å; E50-R76 PolarHBondContact OE1-NH2 2.96Å; E50-R76 IonicContact OE2-NH2 2.7Å; E50-R76 PolarHBondContact OE2-NH2 3.07Å; F74-R76 PolarHBondContact O-N 2.79Å; F74-R76 VanDerWaalsContact O-N 3.13Å; R76-L78 PolarHBondContact O-N 3.16Å; R76-I79 WeakPolarHBondContact O-CB 3.45Å; R76-I79 WeakPolarHBondContact O-CG2 3.49Å; R76-I79 PolarHBondContact O-N 3.23Å; R76-D96 IonicContact CZ-OD2 3.97Å; R76-D96 IonicContact NH1-OD1 3.79Å; R76-D96 PolarHBondContact NH1-OD1 3.28Å; R76-D96 IonicContact NH1-OD2 3.77Å; R76-D96 PolarHBondContact NH1-OD2 2.65Å; R76-D96 IonicContact NH2-OD2 2.83Å; R76-D96 PolarHBondContact NH2-OD2 3.08Å
77	S	97.2	Very high	97.4	Very high	87 Å²	87	47.7 Å²	47.7	61%	0.608	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-65	-23.8	175.3	73.8	0	0	0	0	112.4	D75 I79	D75-S77 PolarHBondContact O-N 3Å; D75-S77 VanDerWaalsContact OD1-CB 3.27Å; D75-S77 WeakPolarHBondContact OD1-CB 3.5Å; D75-S77 PolarHBondContact OD1-N 3.43Å; D75-S77 PolarHBondContact OD1-OG 3.29Å; D75-S77 PolarHBondContact OD2-OG 3.25Å; S77-I79 PolarHBondContact O-N 2.85Å
78	L	97.4	Very high	97.4	Very high	39 Å²	39	41.5 Å²	41.5	20%	0.204	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-84.4	11	179.8	-58.5	177.9	0	0	0	113.6	L45 T73 D75 R76 N80 E81 S82	L45-L78 HydrophobicContact CD1-CB 4.22Å; L45-L78 HydrophobicContact CD1-CD1 4.11Å; T73-L78 HydrophobicContact CG2-CD1 4.23Å; D75-L78 HydrophobicContact CB-CD1 4.1Å; D75-L78 HydrophobicContact CB-CG 4.26Å; D75-L78 WeakPolarHBondContact O-CB 3.29Å; D75-L78 PolarHBondContact O-N 3.39Å; D75-L78 VanDerWaalsContact O-N 3.11Å; R76-L78 PolarHBondContact O-N 3.16Å; L78-N80 VanDerWaalsContact C-N 3.28Å; L78-N80 PolarHBondContact O-N 2.65Å; L78-E81 CarbonylContact O-C 3.59Å; L78-E81 PolarHBondContact O-N 3.37Å; L78-S82 WeakPolarHBondContact O-CB 3.4Å; L78-S82 PolarHBondContact O-N 3.28Å; L78-S82 PolarHBondContact O-OG 2.79Å
79	I	97.4	Very high	97.3	Very high	22 Å²	22	39.1 Å²	39.1	11%	0.113	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-55	-40.8	-178.1	-172.1	170.4	0	0	0	112.9	L47 W49 R76 S77 E81 S82 I85 P98 P99 Q106	L47-I79 HydrophobicContact CD2-CB 3.93Å; L47-I79 HydrophobicContact CD2-CG1 4.22Å; W49-I79 HydrophobicContact CZ3-CD1 4.09Å; R76-I79 WeakPolarHBondContact O-CB 3.45Å; R76-I79 WeakPolarHBondContact O-CG2 3.49Å; R76-I79 PolarHBondContact O-N 3.23Å; S77-I79 PolarHBondContact O-N 2.85Å; I79-E81 PolarHBondContact O-N 3.46Å; I79-S82 PolarHBondContact O-N 3.39Å; I79-I85 HydrophobicContact CG1-CD1 4.25Å; I79-I85 HydrophobicContact CG1-CG1 4.21Å; I79-P98 HydrophobicContact CD1-CB 3.56Å; I79-P99 HydrophobicContact CD1-CG 4.45Å; I79-Q106 PolarHBondContact O-NE2 3.03Å
80	N	96.6	Very high	97.1	Very high	112 Å²	112	41.8 Å²	41.8	60%	0.599	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-74.8	-15.2	-179	-68.8	-28.7	0	0	0	113.4	L78 L103	L78-N80 VanDerWaalsContact C-N 3.28Å; L78-N80 PolarHBondContact O-N 2.65Å; N80-L103 HydrophobicContact CB-CD1 4.33Å; N80-L103 WeakPolarHBondContact O-CD1 3.28Å
81	E	96.2	Very high	96.8	Very high	97 Å²	97	43.3 Å²	43.3	45%	0.453	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-99.1	-6.4	175.6	-63.4	-175.8	-121.4	0	0	112.4	K42 L45 L78 I79	K42-E81 IonicContact NZ-OE2 3.83Å; K42-E81 PolarHBondContact NZ-OE2 3.28Å; L45-E81 HydrophobicContact CD1-CB 4.06Å; L78-E81 CarbonylContact O-C 3.59Å; L78-E81 PolarHBondContact O-N 3.37Å; I79-E81 PolarHBondContact O-N 3.46Å
82	S	97.8	Very high	96.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	127.9	-173.3	-64.4	0	0	0	0	112.2	L47 L78 I79 A84 Q106	L47-S82 WeakPolarHBondContact CB-OG 3.3Å; L78-S82 WeakPolarHBondContact O-CB 3.4Å; L78-S82 PolarHBondContact O-N 3.28Å; L78-S82 PolarHBondContact O-OG 2.79Å; I79-S82 PolarHBondContact O-N 3.39Å; S82-A84 VanDerWaalsContact C-N 3.33Å; S82-Q106 WeakPolarHBondContact O-CG 3.46Å; S82-Q106 PolarHBondContact O-NE2 3.08Å
83	S	97.8	Very high	96.2	Very high	18 Å²	18	40.7 Å²	40.7	13%	0.126	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-26.1	175.8	-50.4	0	0	0	0	111.8	L44 L45 H107	L44-S83 WeakPolarHBondContact CD2-OG 3.31Å; L45-S83 PolarHBondContact O-N 3.21Å; S83-H107 PolarHBondContact O-N 3.41Å
84	A	98.5	Very high	96	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144.6	171.8	0	0	0	0	0	112.1	L45 L47 S82 H107 V109 L336	L45-A84 PolarHBondContact O-N 2.85Å; L47-A84 PolarHBondContact N-O 3.43Å; S82-A84 VanDerWaalsContact C-N 3.33Å; A84-H107 CarbonylContact C-O 3.4Å; A84-H107 WeakPolarHBondContact CA-O 3.27Å; A84-H107 HydrophobicContact CB-CB 4.24Å; A84-V109 HydrophobicContact CB-CG2 4.14Å; A84-L336 HydrophobicContact CB-CD1 3.71Å; A84-L336 HydrophobicContact CB-CD2 3.92Å; A84-L336 HydrophobicContact CB-CG 4.43Å
85	I	98.4	Very high	95.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.7	162.1	-64	70	0	0	0	107.5	L47 W49 I79 H87 Q106 H107 Y108 V109	L47-I85 HydrophobicContact CB-CG1 4.33Å; L47-I85 HydrophobicContact CD2-CG1 4.12Å; L47-I85 CarbonylContact O-C 3.47Å; L47-I85 VanDerWaalsContact O-CA 3.31Å; L47-I85 WeakPolarHBondContact O-CA 3.46Å; W49-I85 HydrophobicContact CB-CG2 3.86Å; W49-I85 HydrophobicContact CE3-CG2 4.26Å; W49-I85 HydrophobicContact CG-CG2 4.44Å; I79-I85 HydrophobicContact CG1-CD1 4.25Å; I79-I85 HydrophobicContact CG1-CG1 4.21Å; I85-H87 WeakPolarHBondContact CG2-NE2 3.03Å; I85-H87 PolarHBondContact O-CD2 2.88Å; I85-Q106 HydrophobicContact CD1-CG 3.41Å; I85-Q106 VanDerWaalsContact CD1-CG 3.41Å; I85-H107 PolarHBondContact N-O 3.31Å; I85-Y108 HydrophobicContact CB-CD1 3.96Å; I85-Y108 HydrophobicContact CB-CE1 4.02Å; I85-Y108 HydrophobicContact CD1-CD1 4.04Å; I85-Y108 HydrophobicContact CD1-CE1 3.63Å; I85-Y108 HydrophobicContact CG1-CD1 4.34Å; I85-Y108 HydrophobicContact CG1-CE1 3.95Å; I85-V109 PolarHBondContact O-N 2.99Å
86	V	98.1	Very high	95.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.1	179.4	-176.4	0	0	0	0	109.2	I46 L47 M48 W49 V109 F111 M136 L332	I46-V86 HydrophobicContact CG2-CG2 3.67Å; L47-V86 PolarHBondContact O-N 3.36Å; M48-V86 HydrophobicContact CE-CB 4.08Å; M48-V86 HydrophobicContact CE-CG1 3.83Å; M48-V86 HydrophobicContact SD-CB 3.66Å; M48-V86 HydrophobicContact SD-CG1 4.01Å; M48-V86 HydrophobicContact SD-CG2 3.9Å; W49-V86 WeakPolarHBondContact CB-O 3.43Å; W49-V86 PolarHBondContact N-O 2.86Å; V86-V109 HydrophobicContact CG2-CB 4.21Å; V86-V109 HydrophobicContact CG2-CG2 4.36Å; V86-F111 HydrophobicContact CG1-CB 3.53Å; V86-F111 HydrophobicContact CG1-CD1 3.95Å; V86-F111 HydrophobicContact CG1-CG 4Å; V86-M136 HydrophobicContact CG1-CE 3.61Å; V86-M136 HydrophobicContact CG2-CE 4.47Å; V86-L332 HydrophobicContact CG2-CD2 3.87Å
87	H	96.8	Very high	95.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	106.5	-179.7	-66.4	-78	0	0	0	110	I85 D89 L92 P98 Y108 V109 F111 Y132	I85-H87 WeakPolarHBondContact CG2-NE2 3.03Å; I85-H87 PolarHBondContact O-CD2 2.88Å; H87-D89 PolarHBondContact O-N 3.09Å; H87-L92 HydrophobicContact CB-CD2 4.24Å; H87-P98 VanDerWaalsContact CE1-CD 3.49Å; H87-P98 WeakPolarHBondContact CE1-CD 3.44Å; H87-P98 WeakPolarHBondContact CE1-CG 3.44Å; H87-Y108 AromaticContact NE2-CD2 3.91Å; H87-Y108 AromaticContact NE2-CG 3.89Å; H87-V109 WeakPolarHBondContact CB-O 3.43Å; H87-V109 PolarHBondContact N-O 3.32Å; H87-F111 WeakPolarHBondContact O-CA 3.23Å; H87-F111 WeakPolarHBondContact O-CB 3.47Å; H87-F111 PolarHBondContact O-N 3.28Å; H87-F111 VanDerWaalsContact O-O 3.13Å; H87-Y132 HydrophobicContact CB-CE1 3.77Å; H87-Y132 AromaticContact CD2-CE1 3.79Å; H87-Y132 AromaticContact CG-CE1 3.86Å
88	Y	95.7	Very high	95.5	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	105.2	169.2	-171.3	-112.1	0	0	0	109.9	Y52 R90 T91 L92 F111 L112 M113	Y52-Y88 AromaticContact CD2-CD1 3.74Å; Y52-Y88 HydrophobicContact CD2-CD1 3.74Å; Y52-Y88 AromaticContact CD2-CD2 3.87Å; Y52-Y88 HydrophobicContact CD2-CD2 3.87Å; Y52-Y88 AromaticContact CD2-CE1 3.36Å; Y52-Y88 HydrophobicContact CD2-CE1 3.36Å; Y52-Y88 AromaticContact CD2-CE2 3.51Å; Y52-Y88 HydrophobicContact CD2-CE2 3.51Å; Y52-Y88 HydrophobicContact CD2-CG 4Å; Y52-Y88 AromaticContact CD2-CZ 3.28Å; Y52-Y88 HydrophobicContact CE2-CD1 4.49Å; Y52-Y88 HydrophobicContact CE2-CD2 4.41Å; Y52-Y88 AromaticContact CE2-CE1 3.69Å; Y52-Y88 HydrophobicContact CE2-CE1 3.69Å; Y52-Y88 AromaticContact CE2-CE2 3.6Å; Y52-Y88 HydrophobicContact CE2-CE2 3.6Å; Y52-Y88 AromaticContact CE2-CZ 3.22Å; Y52-Y88 WeakPolarHBondContact CE2-OH 3.26Å; Y88-R90 VanDerWaalsContact C-N 3.27Å; Y88-R90 HydrophobicContact CD1-CB 4.1Å; Y88-R90 HydrophobicContact CE1-CB 3.43Å; Y88-R90 VanDerWaalsContact CE1-CB 3.43Å; Y88-R90 PolarHBondContact O-N 2.8Å; Y88-R90 VanDerWaalsContact O-N 3.16Å; Y88-T91 HydrophobicContact CD1-CG2 4.05Å; Y88-T91 WeakPolarHBondContact CD1-OG1 3.35Å; Y88-T91 HydrophobicContact CE1-CG2 4.27Å; Y88-T91 PolarHBondContact O-N 3.25Å; Y88-L92 PolarHBondContact O-N 3.33Å; Y88-F111 WeakPolarHBondContact CA-O 3.46Å; Y88-F111 AromaticContact CD2-CD1 3.57Å; Y88-F111 HydrophobicContact CD2-CD1 3.57Å; Y88-F111 AromaticContact CD2-CE1 3.83Å; Y88-F111 HydrophobicContact CD2-CE1 3.83Å; Y88-F111 HydrophobicContact CD2-CG 4.11Å; Y88-F111 WeakPolarHBondContact CD2-O 3.46Å; Y88-F111 HydrophobicContact CE2-CD1 4.49Å; Y88-F111 HydrophobicContact CE2-CE1 4.44Å; Y88-F111 HydrophobicContact CG-CD1 4.3Å; Y88-L112 HydrophobicContact CE2-CD1 4.1Å; Y88-M113 HydrophobicContact CE2-CB 4.46Å
89	D	95.5	Very high	95.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-55	-39.5	-168	171.6	68.1	0	0	0	113.4	H87 T91 L92 F110 F111 L112 V119 S120	H87-D89 PolarHBondContact O-N 3.09Å; D89-T91 VanDerWaalsContact C-N 3.33Å; D89-T91 PolarHBondContact O-N 3.39Å; D89-L92 PolarHBondContact O-N 3.44Å; D89-F110 HydrophobicContact CB-CD2 4.25Å; D89-F110 HydrophobicContact CB-CE2 3.59Å; D89-F110 HydrophobicContact CB-CZ 4.37Å; D89-F111 PolarHBondContact N-O 3.44Å; D89-L112 HydrophobicContact CB-CB 4.4Å; D89-L112 HydrophobicContact CB-CD1 4.2Å; D89-L112 HydrophobicContact CB-CD2 4.33Å; D89-V119 WeakPolarHBondContact OD2-CA 3.44Å; D89-S120 VanDerWaalsContact O-CB 3.27Å; D89-S120 WeakPolarHBondContact O-CB 3.33Å; D89-S120 PolarHBondContact OD1-OG 2.74Å; D89-S120 PolarHBondContact OD2-N 2.83Å; D89-S120 PolarHBondContact OD2-OG 3.33Å
90	R	92.4	Very high	95	Very high	113 Å²	113	47.7 Å²	47.7	43%	0.426	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-67.8	-28.2	-173.5	-159.3	176.7	81.4	78.8	-7.4	114.2	S53 Y88 L112	S53-R90 VanDerWaalsContact CB-NH2 3.33Å; S53-R90 PolarHBondContact OG-NH2 2.03Å; Y88-R90 VanDerWaalsContact C-N 3.27Å; Y88-R90 HydrophobicContact CD1-CB 4.1Å; Y88-R90 HydrophobicContact CE1-CB 3.43Å; Y88-R90 VanDerWaalsContact CE1-CB 3.43Å; Y88-R90 PolarHBondContact O-N 2.8Å; Y88-R90 VanDerWaalsContact O-N 3.16Å; R90-L112 HydrophobicContact CB-CD1 4.28Å
91	T	91.5	Very high	94.8	Very high	49 Å²	49	51.6 Å²	51.6	30%	0.301	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-108.8	0.2	-179.8	57.8	0	0	0	0	112.7	D51 Y88 D89 N93	D51-T91 PolarHBondContact O-OG1 2.93Å; Y88-T91 HydrophobicContact CD1-CG2 4.05Å; Y88-T91 WeakPolarHBondContact CD1-OG1 3.35Å; Y88-T91 HydrophobicContact CE1-CG2 4.27Å; Y88-T91 PolarHBondContact O-N 3.25Å; D89-T91 VanDerWaalsContact C-N 3.33Å; D89-T91 PolarHBondContact O-N 3.39Å; T91-N93 PolarHBondContact O-N 3.14Å
92	L	92.6	Very high	94.8	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.052	25%	0.25	C	C	.	.			trans	-67	118.7	-178	-169.2	63.9	0	0	0	110.8	E50 H87 Y88 D89 P94 L97 A123 L127	E50-L92 HydrophobicContact CG-CD1 4.38Å; H87-L92 HydrophobicContact CB-CD2 4.24Å; Y88-L92 PolarHBondContact O-N 3.33Å; D89-L92 PolarHBondContact O-N 3.44Å; L92-P94 WeakPolarHBondContact O-CD 3.23Å; L92-L97 HydrophobicContact CD1-CD2 3.67Å; L92-L97 HydrophobicContact CD2-CD2 3.75Å; L92-L97 HydrophobicContact CG-CD2 3.58Å; L92-A123 HydrophobicContact CB-CB 4.28Å; L92-A123 HydrophobicContact CD2-CB 4.11Å; L92-A123 HydrophobicContact CG-CB 4.35Å; L92-L127 HydrophobicContact CD2-CD1 3.55Å
93	N	93.1	Very high	94.7	Very high	73 Å²	73	52.4 Å²	52.4	39%	0.39	26%	0.264	S	S	.	.			trans	-83.9	117.6	177.2	-180	0.7	0	0	0	110.6	T91 S95 D96	T91-N93 PolarHBondContact O-N 3.14Å; N93-S95 PolarHBondContact O-N 3.05Å; N93-S95 VanDerWaalsContact O-N 3.11Å; N93-S95 PolarHBondContact OD1-N 3.42Å; N93-D96 HydrophobicContact CB-CB 4.09Å; N93-D96 CarbonylContact O-C 3.56Å; N93-D96 PolarHBondContact O-N 2.84Å
94	P	92.2	Very high	94.6	Very high	47 Å²	47	55.2 Å²	55.2	31%	0.305	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.9	178.4	-24.5	34.2	0	0	0	114.9	L92 V122 A123 M126	L92-P94 WeakPolarHBondContact O-CD 3.23Å; P94-V122 HydrophobicContact CB-CG1 4.05Å; P94-V122 HydrophobicContact CG-CB 3.88Å; P94-V122 HydrophobicContact CG-CG1 3.6Å; P94-A123 HydrophobicContact CG-CB 4.23Å; P94-M126 HydrophobicContact CB-CE 3.79Å
95	S	93.8	Very high	94.4	Very high	116 Å²	116	59.3 Å²	59.3	81%	0.811	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-6	178	-60.4	0	0	0	0	113.7	N93	N93-S95 PolarHBondContact O-N 3.05Å; N93-S95 VanDerWaalsContact O-N 3.11Å; N93-S95 PolarHBondContact OD1-N 3.42Å
96	D	94.8	Very high	94.4	Very high	60 Å²	60	59.4 Å²	59.4	32%	0.321	30%	0.301	S	S	.	.	S	Bend	trans	-137.8	67.9	-175.6	-178.3	22.9	0	0	0	109.5	W49 R76 N93	W49-D96 PolarHBondContact NE1-O 3.27Å; R76-D96 IonicContact CZ-OD2 3.97Å; R76-D96 IonicContact NH1-OD1 3.79Å; R76-D96 PolarHBondContact NH1-OD1 3.28Å; R76-D96 IonicContact NH1-OD2 3.77Å; R76-D96 PolarHBondContact NH1-OD2 2.65Å; R76-D96 IonicContact NH2-OD2 2.83Å; R76-D96 PolarHBondContact NH2-OD2 3.08Å; N93-D96 HydrophobicContact CB-CB 4.09Å; N93-D96 CarbonylContact O-C 3.56Å; N93-D96 PolarHBondContact O-N 2.84Å
97	L	94.9	Very high	94.4	Very high	46 Å²	46	59.5 Å²	59.5	24%	0.241	30%	0.302	C	S	.	.			trans	-104.8	152.3	179	-65.8	-179.2	0	0	0	110.5	L92 M126 L127	L92-L97 HydrophobicContact CD1-CD2 3.67Å; L92-L97 HydrophobicContact CD2-CD2 3.75Å; L92-L97 HydrophobicContact CG-CD2 3.58Å; L97-M126 HydrophobicContact CD1-CE 3.33Å; L97-L127 HydrophobicContact CD1-CD1 4.12Å; L97-L127 HydrophobicContact CD1-CD2 4.03Å; L97-L127 HydrophobicContact CD2-CD1 4.09Å
98	P	94.1	Very high	94.5	Very high	6 Å²	6	59.6 Å²	59.6	4%	0.039	30%	0.302	C	S	.	.			trans	-66	168.3	168.2	37.2	-42.4	0	0	0	110.5	W49 I79 H87 R100 Y108 Y131	W49-P98 HydrophobicContact CD2-CB 4.42Å; W49-P98 HydrophobicContact CE3-CB 4.13Å; W49-P98 HydrophobicContact CH2-CB 3.99Å; W49-P98 HydrophobicContact CZ2-CB 4.3Å; W49-P98 HydrophobicContact CZ3-CB 3.91Å; I79-P98 HydrophobicContact CD1-CB 3.56Å; H87-P98 VanDerWaalsContact CE1-CD 3.49Å; H87-P98 WeakPolarHBondContact CE1-CD 3.44Å; H87-P98 WeakPolarHBondContact CE1-CG 3.44Å; P98-R100 PolarHBondContact O-N 3.5Å; P98-Y108 WeakPolarHBondContact CB-OH 3.43Å; P98-Y108 HydrophobicContact CG-CE2 3.81Å; P98-Y131 WeakPolarHBondContact CG-OH 3.43Å
99	P	93.2	Very high	94.6	Very high	79 Å²	79	59.6 Å²	59.6	51%	0.513	30%	0.302	S	S	.	.			trans	-53.3	125.2	178	-26.3	35.8	0	0	0	112.3	I79 K101 Y108	I79-P99 HydrophobicContact CD1-CG 4.45Å; P99-K101 CarbonylContact O-C 3.48Å; P99-K101 PolarHBondContact O-N 3.1Å; P99-Y108 PolarHBondContact O-OH 2.78Å
100	R	91.4	Very high	94.8	Very high	174 Å²	174	59.6 Å²	59.6	66%	0.657	30%	0.302	S	S	*	.	S	Bend	trans	-55.2	-31.4	-179.4	-170.2	175.9	-175.4	124.6	4.3	113.3	P98 R102 Y131	P98-R100 PolarHBondContact O-N 3.5Å; R100-R102 PolarHBondContact O-N 2.8Å; R100-Y131 HydrophobicContact CG-CD2 4.3Å; R100-Y131 HydrophobicContact CG-CE2 4.38Å
101	K	92.5	Very high	95	Very high	195 Å²	195	54.2 Å²	54.2	85%	0.848	28%	0.282	S	S	*	.	S	Bend	trans	-88.3	96.5	173.1	-171.7	178.1	-178.7	-179.7	0	109.7	P99	P99-K101 CarbonylContact O-C 3.48Å; P99-K101 PolarHBondContact O-N 3.1Å
102	R	94.8	Very high	95.2	Very high	57 Å²	57	51.9 Å²	51.9	22%	0.215	27%	0.267	C	S	.	.			trans	-61.9	152.8	169.4	57	-175.8	155.1	83.8	0.4	112.3	R100 Q106 Y108 T133 V345	R100-R102 PolarHBondContact O-N 2.8Å; R102-Q106 WeakPolarHBondContact CD-O 3.19Å; R102-Y108 HydrophobicContact CB-CD1 4.07Å; R102-Y108 HydrophobicContact CB-CE1 3.79Å; R102-Y108 HydrophobicContact CB-CE2 4.37Å; R102-Y108 HydrophobicContact CB-CG 4.48Å; R102-T133 VanDerWaalsContact NE-CG2 3.29Å; R102-V345 PolarHBondContact NH1-O 3.15Å
103	L	96.3	Very high	95.4	Very high	57 Å²	57	51.4 Å²	51.4	30%	0.298	27%	0.265	S	S	.	.			trans	-63.7	149.9	167.3	-65.1	176.4	0	0	0	110.1	N80 H105 Q106	N80-L103 HydrophobicContact CB-CD1 4.33Å; N80-L103 WeakPolarHBondContact O-CD1 3.28Å; L103-H105 VanDerWaalsContact C-N 3.26Å; L103-H105 PolarHBondContact O-N 3.24Å; L103-H105 VanDerWaalsContact O-N 3.15Å; L103-Q106 HydrophobicContact CB-CB 3.98Å; L103-Q106 WeakPolarHBondContact O-CB 3.04Å; L103-Q106 PolarHBondContact O-N 2.72Å
104	P	96.2	Very high	95.5	Very high	77 Å²	77	50.1 Å²	50.1	50%	0.5	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-38.4	-174	-29.3	36.3	0	0	0	114.2	Q106 G343 A344 V345	P104-Q106 VanDerWaalsContact C-N 3.34Å; P104-G343 WeakPolarHBondContact CB-O 3.47Å; P104-A344 HydrophobicContact CB-CB 4.14Å; P104-A344 CarbonylContact O-C 3.53Å; P104-A344 VanDerWaalsContact O-CA 3.26Å; P104-A344 WeakPolarHBondContact O-CA 3.4Å; P104-V345 WeakPolarHBondContact O-CG2 3.46Å; P104-V345 PolarHBondContact O-N 3.32Å
105	H	95.2	Very high	95.8	Very high	85 Å²	85	47.9 Å²	47.9	39%	0.394	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	0.9	-178.2	62.4	-93.4	0	0	0	114	L103	L103-H105 VanDerWaalsContact C-N 3.26Å; L103-H105 PolarHBondContact O-N 3.24Å; L103-H105 VanDerWaalsContact O-N 3.15Å
106	Q	97.2	Very high	95.9	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.014	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-100.6	130.2	-168.5	178.8	172.4	78.1	0	0	111.6	I79 S82 I85 R102 L103 P104 Y108 V345	I79-Q106 PolarHBondContact O-NE2 3.03Å; S82-Q106 WeakPolarHBondContact O-CG 3.46Å; S82-Q106 PolarHBondContact O-NE2 3.08Å; I85-Q106 HydrophobicContact CD1-CG 3.41Å; I85-Q106 VanDerWaalsContact CD1-CG 3.41Å; R102-Q106 WeakPolarHBondContact CD-O 3.19Å; L103-Q106 HydrophobicContact CB-CB 3.98Å; L103-Q106 WeakPolarHBondContact O-CB 3.04Å; L103-Q106 PolarHBondContact O-N 2.72Å; P104-Q106 VanDerWaalsContact C-N 3.34Å; Q106-Y108 HydrophobicContact CG-CD1 4.33Å; Q106-Y108 HydrophobicContact CG-CE1 4.19Å; Q106-V345 WeakPolarHBondContact O-CG2 3.43Å
107	H	98.2	Very high	96	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.1	174.6	-73.5	-79.3	0	0	0	111.9	S83 A84 I85 V109 T133 L134 L336 D339 V345	S83-H107 PolarHBondContact O-N 3.41Å; A84-H107 CarbonylContact C-O 3.4Å; A84-H107 WeakPolarHBondContact CA-O 3.27Å; A84-H107 HydrophobicContact CB-CB 4.24Å; I85-H107 PolarHBondContact N-O 3.31Å; H107-V109 HydrophobicContact CB-CG2 4.18Å; H107-T133 WeakPolarHBondContact CA-OG1 3.49Å; H107-T133 WeakPolarHBondContact CB-OG1 3.42Å; H107-T133 PolarHBondContact ND1-OG1 3.41Å; H107-L134 HydrophobicContact CB-CD1 4.08Å; H107-L134 HydrophobicContact CB-CG 4.5Å; H107-L134 WeakPolarHBondContact ND1-CD1 3.43Å; H107-L134 WeakPolarHBondContact ND1-CG 3.37Å; H107-L336 HydrophobicContact CB-CD2 4.21Å; H107-L336 WeakPolarHBondContact CD2-CD2 3.32Å; H107-D339 IonicContact CE1-OD2 3.55Å; H107-D339 PolarHBondContact CE1-OD2 3.36Å; H107-D339 IonicContact NE2-OD2 3.36Å; H107-D339 PolarHBondContact NE2-OD2 3.18Å; H107-D339 VanDerWaalsContact NE2-OD2 3.12Å; H107-V345 WeakPolarHBondContact NE2-CG1 3.34Å
108	Y	98.6	Very high	96	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.1	159.1	-77.5	12.4	0	0	0	108	I85 H87 P98 P99 R102 Q106 Y131 T133 L134	I85-Y108 HydrophobicContact CB-CD1 3.96Å; I85-Y108 HydrophobicContact CB-CE1 4.02Å; I85-Y108 HydrophobicContact CD1-CD1 4.04Å; I85-Y108 HydrophobicContact CD1-CE1 3.63Å; I85-Y108 HydrophobicContact CG1-CD1 4.34Å; I85-Y108 HydrophobicContact CG1-CE1 3.95Å; H87-Y108 AromaticContact NE2-CD2 3.91Å; H87-Y108 AromaticContact NE2-CG 3.89Å; P98-Y108 WeakPolarHBondContact CB-OH 3.43Å; P98-Y108 HydrophobicContact CG-CE2 3.81Å; P99-Y108 PolarHBondContact O-OH 2.78Å; R102-Y108 HydrophobicContact CB-CD1 4.07Å; R102-Y108 HydrophobicContact CB-CE1 3.79Å; R102-Y108 HydrophobicContact CB-CE2 4.37Å; R102-Y108 HydrophobicContact CB-CG 4.48Å; Q106-Y108 HydrophobicContact CG-CD1 4.33Å; Q106-Y108 HydrophobicContact CG-CE1 4.19Å; Y108-Y131 HydrophobicContact CD2-CD1 4.29Å; Y108-Y131 AromaticContact CD2-CE1 3.7Å; Y108-Y131 HydrophobicContact CD2-CE1 3.7Å; Y108-Y131 HydrophobicContact CD2-CE2 4.03Å; Y108-Y131 AromaticContact CD2-CZ 3.56Å; Y108-Y131 HydrophobicContact CE2-CE1 4.36Å; Y108-Y131 HydrophobicContact CE2-CE2 4.07Å; Y108-Y131 AromaticContact CE2-CZ 3.76Å; Y108-T133 PolarHBondContact N-OG1 3.46Å; Y108-T133 PolarHBondContact O-N 3.07Å; Y108-T133 PolarHBondContact O-OG1 3.31Å; Y108-L134 PolarHBondContact O-N 3.25Å
109	V	98.7	Very high	96.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.4	-172.2	-172.3	0	0	0	0	109.3	A84 I85 V86 H87 H107 F111 L134 M136 L332	A84-V109 HydrophobicContact CB-CG2 4.14Å; I85-V109 PolarHBondContact O-N 2.99Å; V86-V109 HydrophobicContact CG2-CB 4.21Å; V86-V109 HydrophobicContact CG2-CG2 4.36Å; H87-V109 WeakPolarHBondContact CB-O 3.43Å; H87-V109 PolarHBondContact N-O 3.32Å; H107-V109 HydrophobicContact CB-CG2 4.18Å; V109-F111 PolarHBondContact O-N 3.5Å; V109-L134 CarbonylContact C-O 3.58Å; V109-L134 WeakPolarHBondContact CA-O 3.41Å; V109-L134 HydrophobicContact CG1-CB 4.24Å; V109-L134 HydrophobicContact CG2-CB 4.25Å; V109-L134 HydrophobicContact CG2-CD1 4.43Å; V109-M136 HydrophobicContact CG1-CB 3.75Å; V109-L332 HydrophobicContact CG2-CD1 4.13Å
110	F	98.3	Very high	96.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	115	169.1	171.2	-103.8	0	0	0	108.8	D89 L112 F124 Y132 L134 T135 M136 T137 I354 W357 Y358	D89-F110 HydrophobicContact CB-CD2 4.25Å; D89-F110 HydrophobicContact CB-CE2 3.59Å; D89-F110 HydrophobicContact CB-CZ 4.37Å; F110-L112 HydrophobicContact CE1-CB 3.88Å; F110-L112 HydrophobicContact CE2-CB 4.27Å; F110-L112 HydrophobicContact CE2-CD2 4.49Å; F110-L112 HydrophobicContact CZ-CB 3.6Å; F110-L112 HydrophobicContact CZ-CD2 3.79Å; F110-L112 HydrophobicContact CZ-CG 4.36Å; F110-F124 HydrophobicContact CE2-CD2 4Å; F110-F124 HydrophobicContact CE2-CE2 4.04Å; F110-F124 HydrophobicContact CZ-CD2 4.28Å; F110-F124 AromaticContact CZ-CE2 3.95Å; F110-F124 HydrophobicContact CZ-CE2 3.95Å; F110-Y132 HydrophobicContact CB-CD1 3.73Å; F110-Y132 HydrophobicContact CB-CD2 3.95Å; F110-Y132 HydrophobicContact CB-CE1 3.99Å; F110-Y132 HydrophobicContact CB-CE2 4.2Å; F110-Y132 HydrophobicContact CB-CG 3.7Å; F110-Y132 HydrophobicContact CD2-CE2 4.03Å; F110-Y132 VanDerWaalsContact N-CD1 3.34Å; F110-L134 PolarHBondContact N-O 3.32Å; F110-T135 HydrophobicContact CB-CG2 4.49Å; F110-T135 HydrophobicContact CD1-CG2 4.39Å; F110-M136 PolarHBondContact O-N 3.28Å; F110-T137 HydrophobicContact CD1-CG2 4.1Å; F110-T137 HydrophobicContact CE1-CG2 3.91Å; F110-I354 HydrophobicContact CB-CG2 4.34Å; F110-I354 HydrophobicContact CD1-CD1 4.49Å; F110-I354 HydrophobicContact CD1-CG2 4.35Å; F110-I354 HydrophobicContact CD2-CD1 3.42Å; F110-I354 VanDerWaalsContact CD2-CD1 3.42Å; F110-I354 HydrophobicContact CE2-CD1 3.57Å; F110-I354 HydrophobicContact CG-CD1 3.91Å; F110-I354 HydrophobicContact CG-CG2 4.28Å; F110-I354 HydrophobicContact CZ-CD1 4.19Å; F110-W357 HydrophobicContact CD1-CZ3 4.18Å; F110-W357 HydrophobicContact CE1-CZ3 4.21Å; F110-Y358 HydrophobicContact CE1-CD1 4.29Å; F110-Y358 HydrophobicContact CE1-CD2 4.07Å; F110-Y358 HydrophobicContact CE1-CE1 4.48Å; F110-Y358 HydrophobicContact CE1-CE2 4.25Å; F110-Y358 HydrophobicContact CE1-CG 4.06Å; F110-Y358 HydrophobicContact CZ-CD1 4.18Å; F110-Y358 HydrophobicContact CZ-CE1 4.36Å; F110-Y358 HydrophobicContact CZ-CG 4.36Å
111	F	97.6	Very high	96.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.2	177.2	180	-138.7	0	0	0	110.6	M48 I57 V86 H87 Y88 D89 V109 M113 M136 Y325	M48-F111 HydrophobicContact CE-CD1 4.46Å; I57-F111 HydrophobicContact CD1-CE1 3.51Å; I57-F111 HydrophobicContact CD1-CZ 3.75Å; V86-F111 HydrophobicContact CG1-CB 3.53Å; V86-F111 HydrophobicContact CG1-CD1 3.95Å; V86-F111 HydrophobicContact CG1-CG 4Å; H87-F111 WeakPolarHBondContact O-CA 3.23Å; H87-F111 WeakPolarHBondContact O-CB 3.47Å; H87-F111 PolarHBondContact O-N 3.28Å; H87-F111 VanDerWaalsContact O-O 3.13Å; Y88-F111 WeakPolarHBondContact CA-O 3.46Å; Y88-F111 AromaticContact CD2-CD1 3.57Å; Y88-F111 HydrophobicContact CD2-CD1 3.57Å; Y88-F111 AromaticContact CD2-CE1 3.83Å; Y88-F111 HydrophobicContact CD2-CE1 3.83Å; Y88-F111 HydrophobicContact CD2-CG 4.11Å; Y88-F111 WeakPolarHBondContact CD2-O 3.46Å; Y88-F111 HydrophobicContact CE2-CD1 4.49Å; Y88-F111 HydrophobicContact CE2-CE1 4.44Å; Y88-F111 HydrophobicContact CG-CD1 4.3Å; D89-F111 PolarHBondContact N-O 3.44Å; V109-F111 PolarHBondContact O-N 3.5Å; F111-M113 HydrophobicContact CE2-CG 3.68Å; F111-M113 HydrophobicContact CE2-SD 3.71Å; F111-M113 HydrophobicContact CZ-CG 3.74Å; F111-M113 HydrophobicContact CZ-SD 4.22Å; F111-M136 WeakPolarHBondContact CA-O 3.34Å; F111-M136 HydrophobicContact CB-CE 3.83Å; F111-M136 HydrophobicContact CD1-CE 4Å; F111-M136 HydrophobicContact CD2-CB 4.15Å; F111-M136 HydrophobicContact CD2-CE 3.42Å; F111-M136 VanDerWaalsContact CD2-CE 3.42Å; F111-M136 HydrophobicContact CD2-CG 3.86Å; F111-M136 VanDerWaalsContact CD2-O 3.3Å; F111-M136 WeakPolarHBondContact CD2-O 3.32Å; F111-M136 HydrophobicContact CD2-SD 4.41Å; F111-M136 HydrophobicContact CE1-CE 4.46Å; F111-M136 HydrophobicContact CE2-CE 3.93Å; F111-M136 HydrophobicContact CE2-CG 4.29Å; F111-M136 HydrophobicContact CG-CE 3.48Å; F111-M136 VanDerWaalsContact CG-CE 3.48Å; F111-M136 HydrophobicContact CZ-CE 4.43Å; F111-Y325 HydrophobicContact CE2-CE1 4.44Å; F111-Y325 HydrophobicContact CZ-CD1 4.36Å; F111-Y325 AromaticContact CZ-CE1 3.8Å; F111-Y325 HydrophobicContact CZ-CE1 3.8Å
112	L	96.6	Very high	96.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	127.1	175.1	-172.3	56.6	0	0	0	111.3	Y88 D89 R90 F110 E114 V119 M136 T137 Y358	Y88-L112 HydrophobicContact CE2-CD1 4.1Å; D89-L112 HydrophobicContact CB-CB 4.4Å; D89-L112 HydrophobicContact CB-CD1 4.2Å; D89-L112 HydrophobicContact CB-CD2 4.33Å; R90-L112 HydrophobicContact CB-CD1 4.28Å; F110-L112 HydrophobicContact CE1-CB 3.88Å; F110-L112 HydrophobicContact CE2-CB 4.27Å; F110-L112 HydrophobicContact CE2-CD2 4.49Å; F110-L112 HydrophobicContact CZ-CB 3.6Å; F110-L112 HydrophobicContact CZ-CD2 3.79Å; F110-L112 HydrophobicContact CZ-CG 4.36Å; L112-E114 HydrophobicContact CD1-CB 3.89Å; L112-E114 HydrophobicContact CD1-CG 4.48Å; L112-E114 HydrophobicContact CG-CB 4.26Å; L112-V119 HydrophobicContact CD2-CB 4.47Å; L112-V119 HydrophobicContact CD2-CG1 3.86Å; L112-M136 PolarHBondContact N-O 2.84Å; L112-T137 WeakPolarHBondContact O-CB 3.37Å; L112-Y358 HydrophobicContact CD2-CD1 4.37Å; L112-Y358 HydrophobicContact CD2-CE1 3.55Å; L112-Y358 HydrophobicContact CG-CE1 4.34Å
113	M	95.7	Very high	96.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.176	C	C	.	.			trans	-101.1	-5.8	175.4	-64.3	-60.7	-66.7	0	0	112.1	Y88 F111 C146 F148 Y325	Y88-M113 HydrophobicContact CE2-CB 4.46Å; F111-M113 HydrophobicContact CE2-CG 3.68Å; F111-M113 HydrophobicContact CE2-SD 3.71Å; F111-M113 HydrophobicContact CZ-CG 3.74Å; F111-M113 HydrophobicContact CZ-SD 4.22Å; M113-C146 WeakPolarHBondContact CE-O 3.39Å; M113-C146 HydrophobicContact SD-CB 4.35Å; M113-F148 HydrophobicContact CB-CE1 4.38Å; M113-F148 HydrophobicContact CB-CZ 4.37Å; M113-F148 HydrophobicContact CE-CD1 3.82Å; M113-F148 HydrophobicContact CE-CD2 4.07Å; M113-F148 HydrophobicContact CE-CE1 3.9Å; M113-F148 HydrophobicContact CE-CE2 4.14Å; M113-F148 HydrophobicContact CE-CG 3.95Å; M113-F148 HydrophobicContact CE-CZ 4.11Å; M113-F148 WeakPolarHBondContact O-CZ 3.4Å; M113-Y325 HydrophobicContact CE-CE1 4.14Å; M113-Y325 HydrophobicContact CG-CE1 4.13Å; M113-Y325 HydrophobicContact SD-CE1 4.12Å
114	E	95.6	Very high	96.6	Very high	46 Å²	46	30.5 Å²	30.5	22%	0.215	16%	0.163	C	C	.	.	S	Bend	trans	-91.1	154.9	175.9	-75.1	-63.3	168.6	0	0	112.6	L112 F138 Y358	L112-E114 HydrophobicContact CD1-CB 3.89Å; L112-E114 HydrophobicContact CD1-CG 4.48Å; L112-E114 HydrophobicContact CG-CB 4.26Å; E114-F138 WeakPolarHBondContact O-CE1 3.37Å; E114-Y358 PolarHBondContact O-OH 2.82Å
115	S	97.2	Very high	96.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.			trans	-62.7	164.8	178.5	75	0	0	0	0	113.1	H117 Y118 S243 F248	S115-H117 PolarHBondContact O-N 3.26Å; S115-H117 PolarHBondContact OG-N 2.86Å; S115-Y118 PolarHBondContact O-N 3.29Å; S115-Y118 VanDerWaalsContact OG-CD2 3.24Å; S115-Y118 WeakPolarHBondContact OG-CD2 3.32Å; S115-S243 WeakPolarHBondContact CB-OG 3.37Å; S115-S243 VanDerWaalsContact OG-CB 3.27Å; S115-S243 WeakPolarHBondContact OG-CB 3.33Å; S115-S243 PolarHBondContact OG-OG 2.62Å; S115-F248 VanDerWaalsContact N-CE2 3.32Å
116	A	97.1	Very high	96.6	Very high	8 Å²	8	34 Å²	34	7%	0.066	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-56.8	-15.4	176.2	0	0	0	0	0	115.7	Y358 K359	A116-Y358 HydrophobicContact CB-CD1 4.33Å; A116-Y358 HydrophobicContact CB-CE1 4.41Å; A116-K359 HydrophobicContact CB-CG 4.25Å
117	H	96.7	Very high	96.6	Very high	70 Å²	70	33.9 Å²	33.9	32%	0.324	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-77.7	-18.3	172.6	-72.8	-51.2	0	0	0	114.3	S115 T186 C364	S115-H117 PolarHBondContact O-N 3.26Å; S115-H117 PolarHBondContact OG-N 2.86Å; H117-T186 HydrophobicContact CB-CG2 3.93Å; H117-T186 PolarHBondContact CD2-OG1 2.79Å; H117-C364 WeakPolarHBondContact NE2-CB 3.37Å
118	Y	95.4	Very high	96.5	Very high	56 Å²	56	36.2 Å²	36.2	22%	0.22	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-122.7	34.3	-174.7	-52.5	-68.4	0	0	0	111.8	S115 F182 T186 N242 S243	S115-Y118 PolarHBondContact O-N 3.29Å; S115-Y118 VanDerWaalsContact OG-CD2 3.24Å; S115-Y118 WeakPolarHBondContact OG-CD2 3.32Å; Y118-F182 HydrophobicContact CE1-CE1 4.22Å; Y118-F182 HydrophobicContact CE1-CZ 4.31Å; Y118-F182 AromaticContact CZ-CE1 3.93Å; Y118-F182 WeakPolarHBondContact OH-CE1 3.45Å; Y118-T186 PolarHBondContact OH-OG1 3.26Å; Y118-N242 HydrophobicContact CE2-CB 4.26Å; Y118-S243 VanDerWaalsContact CE2-OG 3.28Å; Y118-S243 WeakPolarHBondContact CE2-OG 3.21Å
119	V	96.6	Very high	96.4	Very high	16 Å²	16	41.7 Å²	41.7	10%	0.097	21%	0.205	C	C	.	.	S	Bend	trans	-63.9	156.1	162.7	-60.7	0	0	0	0	109.7	D89 L112 F124 Y358 K359	D89-V119 WeakPolarHBondContact OD2-CA 3.44Å; L112-V119 HydrophobicContact CD2-CB 4.47Å; L112-V119 HydrophobicContact CD2-CG1 3.86Å; V119-F124 HydrophobicContact CB-CB 4.07Å; V119-F124 HydrophobicContact CB-CD1 4.29Å; V119-F124 HydrophobicContact CB-CD2 3.58Å; V119-F124 HydrophobicContact CB-CE2 4.06Å; V119-F124 HydrophobicContact CB-CG 3.71Å; V119-F124 HydrophobicContact CG1-CD2 3.63Å; V119-F124 HydrophobicContact CG1-CE2 3.58Å; V119-F124 HydrophobicContact CG1-CG 4.17Å; V119-F124 HydrophobicContact CG1-CZ 4.09Å; V119-F124 HydrophobicContact CG2-CB 4.25Å; V119-F124 HydrophobicContact CG2-CD1 4.03Å; V119-F124 HydrophobicContact CG2-CD2 4.23Å; V119-F124 HydrophobicContact CG2-CE1 4.47Å; V119-F124 HydrophobicContact CG2-CG 3.9Å; V119-Y358 HydrophobicContact CG1-CD1 3.91Å; V119-Y358 HydrophobicContact CG1-CE1 4.05Å; V119-K359 HydrophobicContact CG1-CD 4.49Å; V119-K359 HydrophobicContact CG1-CG 4.36Å; V119-K359 HydrophobicContact CG2-CD 4.04Å
120	S	95.4	Very high	96	Very high	20 Å²	20	47.8 Å²	47.8	14%	0.14	24%	0.238	C	C	.	.			trans	-62.2	140.2	175.6	69.4	0	0	0	0	111.7	D89 V122 A123 F124	D89-S120 VanDerWaalsContact O-CB 3.27Å; D89-S120 WeakPolarHBondContact O-CB 3.33Å; D89-S120 PolarHBondContact OD1-OG 2.74Å; D89-S120 PolarHBondContact OD2-N 2.83Å; D89-S120 PolarHBondContact OD2-OG 3.33Å; S120-V122 PolarHBondContact O-N 3.16Å; S120-A123 WeakPolarHBondContact OG-CB 3.44Å; S120-F124 WeakPolarHBondContact O-CB 3.31Å; S120-F124 PolarHBondContact OG-N 3.45Å
121	D	92.7	Very high	95.9	Very high	154 Å²	154	48.1 Å²	48.1	82%	0.824	24%	0.239	S	C	*	.	S	Bend	trans	-68.4	-37.2	-174.7	-69.2	-41.7	0	0	0	112.6
122	V	96.1	Very high	96	Very high	92 Å²	92	48.1 Å²	48.1	56%	0.558	24%	0.239	S	C	*	.	S	Bend	trans	-102.9	-57	-174.2	-177	0	0	0	0	111.7	P94 S120 F124 K125 M126	P94-V122 HydrophobicContact CB-CG1 4.05Å; P94-V122 HydrophobicContact CG-CB 3.88Å; P94-V122 HydrophobicContact CG-CG1 3.6Å; S120-V122 PolarHBondContact O-N 3.16Å; V122-F124 PolarHBondContact O-N 3.08Å; V122-K125 PolarHBondContact O-N 3.24Å; V122-M126 WeakPolarHBondContact O-CB 3.43Å; V122-M126 PolarHBondContact O-N 3.25Å
123	A	95.7	Very high	96	Very high	2 Å²	2	48.1 Å²	48.1	2%	0.017	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-41.9	-172.3	0	0	0	0	0	112	L92 P94 S120 K125 M126 L127	L92-A123 HydrophobicContact CB-CB 4.28Å; L92-A123 HydrophobicContact CD2-CB 4.11Å; L92-A123 HydrophobicContact CG-CB 4.35Å; P94-A123 HydrophobicContact CG-CB 4.23Å; S120-A123 WeakPolarHBondContact OG-CB 3.44Å; A123-K125 PolarHBondContact O-N 2.8Å; A123-M126 PolarHBondContact O-N 3.13Å; A123-L127 WeakPolarHBondContact O-CB 3.34Å; A123-L127 WeakPolarHBondContact O-CG 3.42Å; A123-L127 PolarHBondContact O-N 2.73Å
124	F	97.2	Very high	96.2	Very high	7 Å²	7	48.1 Å²	48.1	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-57.5	-50.2	177.2	-170.6	-88.6	0	0	0	111	F110 V119 S120 V122 M126 L127 Q128 I354 Y358 K359	F110-F124 HydrophobicContact CE2-CD2 4Å; F110-F124 HydrophobicContact CE2-CE2 4.04Å; F110-F124 HydrophobicContact CZ-CD2 4.28Å; F110-F124 AromaticContact CZ-CE2 3.95Å; F110-F124 HydrophobicContact CZ-CE2 3.95Å; V119-F124 HydrophobicContact CB-CB 4.07Å; V119-F124 HydrophobicContact CB-CD1 4.29Å; V119-F124 HydrophobicContact CB-CD2 3.58Å; V119-F124 HydrophobicContact CB-CE2 4.06Å; V119-F124 HydrophobicContact CB-CG 3.71Å; V119-F124 HydrophobicContact CG1-CD2 3.63Å; V119-F124 HydrophobicContact CG1-CE2 3.58Å; V119-F124 HydrophobicContact CG1-CG 4.17Å; V119-F124 HydrophobicContact CG1-CZ 4.09Å; V119-F124 HydrophobicContact CG2-CB 4.25Å; V119-F124 HydrophobicContact CG2-CD1 4.03Å; V119-F124 HydrophobicContact CG2-CD2 4.23Å; V119-F124 HydrophobicContact CG2-CE1 4.47Å; V119-F124 HydrophobicContact CG2-CG 3.9Å; S120-F124 WeakPolarHBondContact O-CB 3.31Å; S120-F124 PolarHBondContact OG-N 3.45Å; V122-F124 PolarHBondContact O-N 3.08Å; F124-M126 VanDerWaalsContact C-N 3.27Å; F124-M126 PolarHBondContact O-N 3.13Å; F124-L127 PolarHBondContact O-N 3.47Å; F124-Q128 HydrophobicContact CE1-CB 4.36Å; F124-Q128 WeakPolarHBondContact O-CA 3.25Å; F124-Q128 WeakPolarHBondContact O-CB 3.25Å; F124-Q128 PolarHBondContact O-N 2.97Å; F124-I354 HydrophobicContact CD2-CD1 3.97Å; F124-I354 HydrophobicContact CE2-CD1 3.66Å; F124-I354 HydrophobicContact CE2-CG1 4.14Å; F124-I354 HydrophobicContact CZ-CD1 4.24Å; F124-I354 HydrophobicContact CZ-CG1 4.24Å; F124-Y358 HydrophobicContact CE2-CD1 4.36Å; F124-K359 HydrophobicContact CD1-CD 4.25Å; F124-K359 HydrophobicContact CE1-CD 3.51Å; F124-K359 HydrophobicContact CE1-CG 3.98Å; F124-K359 HydrophobicContact CZ-CD 3.9Å; F124-K359 HydrophobicContact CZ-CG 3.82Å
125	K	96.1	Very high	96.3	Very high	155 Å²	155	45.9 Å²	45.9	67%	0.674	23%	0.229	S	C	*	.	H	α-helix	trans	-62.9	-36.2	-179.8	-173.5	178.6	178.9	-177.5	0	112	V122 A123 Q128	V122-K125 PolarHBondContact O-N 3.24Å; A123-K125 PolarHBondContact O-N 2.8Å; K125-Q128 PolarHBondContact O-NE2 3.18Å
126	M	95.8	Very high	96.4	Very high	79 Å²	79	45.9 Å²	45.9	39%	0.389	23%	0.229	S	C	.	.	H	α-helix	trans	-74.5	-33.9	-178.3	-173.1	173.3	66	0	0	113.2	P94 L97 V122 A123 F124	P94-M126 HydrophobicContact CB-CE 3.79Å; L97-M126 HydrophobicContact CD1-CE 3.33Å; V122-M126 WeakPolarHBondContact O-CB 3.43Å; V122-M126 PolarHBondContact O-N 3.25Å; A123-M126 PolarHBondContact O-N 3.13Å; F124-M126 VanDerWaalsContact C-N 3.27Å; F124-M126 PolarHBondContact O-N 3.13Å
127	L	96.7	Very high	96.5	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-111.1	-0.2	-170.3	-55.6	179.1	0	0	0	113.8	L92 L97 A123 F124 K129 Y131 Y132	L92-L127 HydrophobicContact CD2-CD1 3.55Å; L97-L127 HydrophobicContact CD1-CD1 4.12Å; L97-L127 HydrophobicContact CD1-CD2 4.03Å; L97-L127 HydrophobicContact CD2-CD1 4.09Å; A123-L127 WeakPolarHBondContact O-CB 3.34Å; A123-L127 WeakPolarHBondContact O-CG 3.42Å; A123-L127 PolarHBondContact O-N 2.73Å; F124-L127 PolarHBondContact O-N 3.47Å; L127-K129 PolarHBondContact O-N 3.06Å; L127-Y131 HydrophobicContact CB-CD1 3.95Å; L127-Y131 HydrophobicContact CB-CE1 4.47Å; L127-Y131 HydrophobicContact CB-CG 4.09Å; L127-Y131 HydrophobicContact CD1-CD1 4.22Å; L127-Y131 HydrophobicContact CD1-CE1 3.89Å; L127-Y131 HydrophobicContact CD2-CD1 4.19Å; L127-Y131 HydrophobicContact CD2-CD2 3.72Å; L127-Y131 HydrophobicContact CD2-CE1 4.26Å; L127-Y131 HydrophobicContact CD2-CE2 3.77Å; L127-Y131 HydrophobicContact CD2-CG 3.92Å; L127-Y131 HydrophobicContact CG-CD1 4.34Å; L127-Y131 HydrophobicContact CG-CE1 4.44Å; L127-Y131 HydrophobicContact CG-CG 4.47Å; L127-Y131 WeakPolarHBondContact O-CB 3.48Å; L127-Y132 HydrophobicContact CB-CE2 3.87Å; L127-Y132 WeakPolarHBondContact O-CE2 3.38Å
128	Q	96.9	Very high	96.5	Very high	51 Å²	51	42.7 Å²	42.7	24%	0.238	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.2	-172.3	56	-175.7	-42.7	0	0	116.3	F124 K125 D353 I354	F124-Q128 HydrophobicContact CE1-CB 4.36Å; F124-Q128 WeakPolarHBondContact O-CA 3.25Å; F124-Q128 WeakPolarHBondContact O-CB 3.25Å; F124-Q128 PolarHBondContact O-N 2.97Å; K125-Q128 PolarHBondContact O-NE2 3.18Å; Q128-D353 CarbonylContact O-C 3.57Å; Q128-D353 WeakPolarHBondContact O-CA 3.48Å; Q128-I354 VanDerWaalsContact CA-CG1 3.49Å; Q128-I354 HydrophobicContact CB-CG1 3.89Å; Q128-I354 WeakPolarHBondContact O-CG1 3.26Å; Q128-I354 PolarHBondContact O-N 3.03Å
129	K	96.7	Very high	96.6	Very high	116 Å²	116	40.2 Å²	40.2	50%	0.504	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-124.3	135.5	-176.4	-72.5	177.4	-179.1	-171.9	0	111.4	L127 Y131 A352 D353	L127-K129 PolarHBondContact O-N 3.06Å; K129-Y131 PolarHBondContact O-N 3.02Å; K129-A352 WeakPolarHBondContact CA-O 3.27Å; K129-D353 VanDerWaalsContact CE-OD2 3.28Å; K129-D353 WeakPolarHBondContact CE-OD2 3.43Å; K129-D353 HydrophobicContact CG-CB 4.44Å
130	D	90	Very high	96.5	Very high	128 Å²	128	44.5 Å²	44.5	68%	0.684	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	24.1	170.3	-55.9	-51.4	0	0	0	115.6	A352	D130-A352 PolarHBondContact N-O 3Å
131	Y	96.8	Very high	96.6	Very high	8 Å²	8	46.6 Å²	46.6	3%	0.031	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-54.2	179	-177.9	-96.9	0	0	0	111.4	P98 R100 Y108 L127 K129	P98-Y131 WeakPolarHBondContact CG-OH 3.43Å; R100-Y131 HydrophobicContact CG-CD2 4.3Å; R100-Y131 HydrophobicContact CG-CE2 4.38Å; Y108-Y131 HydrophobicContact CD2-CD1 4.29Å; Y108-Y131 AromaticContact CD2-CE1 3.7Å; Y108-Y131 HydrophobicContact CD2-CE1 3.7Å; Y108-Y131 HydrophobicContact CD2-CE2 4.03Å; Y108-Y131 AromaticContact CD2-CZ 3.56Å; Y108-Y131 HydrophobicContact CE2-CE1 4.36Å; Y108-Y131 HydrophobicContact CE2-CE2 4.07Å; Y108-Y131 AromaticContact CE2-CZ 3.76Å; L127-Y131 HydrophobicContact CB-CD1 3.95Å; L127-Y131 HydrophobicContact CB-CE1 4.47Å; L127-Y131 HydrophobicContact CB-CG 4.09Å; L127-Y131 HydrophobicContact CD1-CD1 4.22Å; L127-Y131 HydrophobicContact CD1-CE1 3.89Å; L127-Y131 HydrophobicContact CD2-CD1 4.19Å; L127-Y131 HydrophobicContact CD2-CD2 3.72Å; L127-Y131 HydrophobicContact CD2-CE1 4.26Å; L127-Y131 HydrophobicContact CD2-CE2 3.77Å; L127-Y131 HydrophobicContact CD2-CG 3.92Å; L127-Y131 HydrophobicContact CG-CD1 4.34Å; L127-Y131 HydrophobicContact CG-CE1 4.44Å; L127-Y131 HydrophobicContact CG-CG 4.47Å; L127-Y131 WeakPolarHBondContact O-CB 3.48Å; K129-Y131 PolarHBondContact O-N 3.02Å
132	Y	98.1	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.			trans	-78.2	157.7	179	-57.7	-73.5	0	0	0	111.7	H87 F110 L127 P347 I354	H87-Y132 HydrophobicContact CB-CE1 3.77Å; H87-Y132 AromaticContact CD2-CE1 3.79Å; H87-Y132 AromaticContact CG-CE1 3.86Å; F110-Y132 HydrophobicContact CB-CD1 3.73Å; F110-Y132 HydrophobicContact CB-CD2 3.95Å; F110-Y132 HydrophobicContact CB-CE1 3.99Å; F110-Y132 HydrophobicContact CB-CE2 4.2Å; F110-Y132 HydrophobicContact CB-CG 3.7Å; F110-Y132 HydrophobicContact CD2-CE2 4.03Å; F110-Y132 VanDerWaalsContact N-CD1 3.34Å; L127-Y132 HydrophobicContact CB-CE2 3.87Å; L127-Y132 WeakPolarHBondContact O-CE2 3.38Å; Y132-P347 WeakPolarHBondContact O-CB 3.29Å; Y132-I354 HydrophobicContact CD2-CD1 3.74Å; Y132-I354 HydrophobicContact CD2-CG1 4.27Å; Y132-I354 HydrophobicContact CD2-CG2 4.32Å; Y132-I354 HydrophobicContact CE2-CD1 3.48Å; Y132-I354 VanDerWaalsContact CE2-CD1 3.48Å; Y132-I354 HydrophobicContact CE2-CG1 4.4Å
133	T	98.4	Very high	97	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-115.7	-27	174.7	58.7	0	0	0	0	113.4	R102 H107 Y108 V345 S348 A351	R102-T133 VanDerWaalsContact NE-CG2 3.29Å; H107-T133 WeakPolarHBondContact CA-OG1 3.49Å; H107-T133 WeakPolarHBondContact CB-OG1 3.42Å; H107-T133 PolarHBondContact ND1-OG1 3.41Å; Y108-T133 PolarHBondContact N-OG1 3.46Å; Y108-T133 PolarHBondContact O-N 3.07Å; Y108-T133 PolarHBondContact O-OG1 3.31Å; T133-V345 HydrophobicContact CG2-CG2 4.37Å; T133-S348 PolarHBondContact O-N 2.93Å; T133-S348 VanDerWaalsContact O-N 3.08Å; T133-A351 WeakPolarHBondContact O-CB 3.49Å
134	L	98.8	Very high	97.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.1	176.8	-61.7	174.8	0	0	0	110.4	H107 Y108 V109 F110 D143 L332 R335	H107-L134 HydrophobicContact CB-CD1 4.08Å; H107-L134 HydrophobicContact CB-CG 4.5Å; H107-L134 WeakPolarHBondContact ND1-CD1 3.43Å; H107-L134 WeakPolarHBondContact ND1-CG 3.37Å; Y108-L134 PolarHBondContact O-N 3.25Å; V109-L134 CarbonylContact C-O 3.58Å; V109-L134 WeakPolarHBondContact CA-O 3.41Å; V109-L134 HydrophobicContact CG1-CB 4.24Å; V109-L134 HydrophobicContact CG2-CB 4.25Å; V109-L134 HydrophobicContact CG2-CD1 4.43Å; F110-L134 PolarHBondContact N-O 3.32Å; L134-D143 VanDerWaalsContact CA-OD2 3.28Å; L134-D143 WeakPolarHBondContact CA-OD2 3.32Å; L134-D143 HydrophobicContact CB-CB 4.38Å; L134-D143 HydrophobicContact CD2-CB 3.92Å; L134-L332 HydrophobicContact CD1-CD1 4.16Å; L134-R335 HydrophobicContact CD1-CG 3.93Å; L134-R335 VanDerWaalsContact CD2-CZ 3.48Å
135	T	98.8	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	140	169	61.7	0	0	0	0	110.9	F110 S142 D143 I144 S350 A351 I354 W357	F110-T135 HydrophobicContact CB-CG2 4.49Å; F110-T135 HydrophobicContact CD1-CG2 4.39Å; T135-S142 WeakPolarHBondContact OG1-CA 3.21Å; T135-S142 WeakPolarHBondContact OG1-CB 3.4Å; T135-D143 PolarHBondContact N-OD2 3.08Å; T135-D143 PolarHBondContact O-N 2.96Å; T135-D143 PolarHBondContact OG1-N 3.04Å; T135-D143 PolarHBondContact OG1-OD2 2.97Å; T135-I144 PolarHBondContact O-N 3.21Å; T135-S350 WeakPolarHBondContact CG2-O 3.49Å; T135-S350 WeakPolarHBondContact CG2-OG 3.32Å; T135-S350 PolarHBondContact OG1-OG 2.83Å; T135-A351 HydrophobicContact CG2-CB 4.04Å; T135-I354 HydrophobicContact CG2-CG2 3.86Å; T135-W357 HydrophobicContact CG2-CE3 3.76Å; T135-W357 HydrophobicContact CG2-CH2 3.93Å; T135-W357 HydrophobicContact CG2-CZ3 3.42Å; T135-W357 VanDerWaalsContact CG2-CZ3 3.42Å
136	M	98.7	Very high	97.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	110.5	176.2	-177.1	167.4	67.2	0	0	109.1	V86 V109 F110 F111 L112 I144 C146 M329 L332	V86-M136 HydrophobicContact CG1-CE 3.61Å; V86-M136 HydrophobicContact CG2-CE 4.47Å; V109-M136 HydrophobicContact CG1-CB 3.75Å; F110-M136 PolarHBondContact O-N 3.28Å; F111-M136 WeakPolarHBondContact CA-O 3.34Å; F111-M136 HydrophobicContact CB-CE 3.83Å; F111-M136 HydrophobicContact CD1-CE 4Å; F111-M136 HydrophobicContact CD2-CB 4.15Å; F111-M136 HydrophobicContact CD2-CE 3.42Å; F111-M136 VanDerWaalsContact CD2-CE 3.42Å; F111-M136 HydrophobicContact CD2-CG 3.86Å; F111-M136 VanDerWaalsContact CD2-O 3.3Å; F111-M136 WeakPolarHBondContact CD2-O 3.32Å; F111-M136 HydrophobicContact CD2-SD 4.41Å; F111-M136 HydrophobicContact CE1-CE 4.46Å; F111-M136 HydrophobicContact CE2-CE 3.93Å; F111-M136 HydrophobicContact CE2-CG 4.29Å; F111-M136 HydrophobicContact CG-CE 3.48Å; F111-M136 VanDerWaalsContact CG-CE 3.48Å; F111-M136 HydrophobicContact CZ-CE 4.43Å; L112-M136 PolarHBondContact N-O 2.84Å; M136-I144 VanDerWaalsContact CA-O 3.31Å; M136-I144 WeakPolarHBondContact CA-O 3.39Å; M136-I144 HydrophobicContact CB-CB 3.88Å; M136-I144 HydrophobicContact CB-CG2 4.3Å; M136-I144 HydrophobicContact CG-CB 3.83Å; M136-I144 HydrophobicContact CG-CG2 3.69Å; M136-I144 HydrophobicContact SD-CB 4.32Å; M136-I144 HydrophobicContact SD-CG2 3.75Å; M136-C146 HydrophobicContact CG-CB 3.96Å; M136-M329 HydrophobicContact CE-CE 3.4Å; M136-M329 VanDerWaalsContact CE-CE 3.4Å; M136-M329 HydrophobicContact SD-CE 3.52Å; M136-M329 VanDerWaalsContact SD-CE 3.52Å; M136-L332 HydrophobicContact SD-CD2 4.26Å
137	T	98	Very high	97.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	178.1	-174.7	74.7	0	0	0	0	111.1	F110 L112 R139 S142 I144 C146 W357 Y358	F110-T137 HydrophobicContact CD1-CG2 4.1Å; F110-T137 HydrophobicContact CE1-CG2 3.91Å; L112-T137 WeakPolarHBondContact O-CB 3.37Å; T137-R139 PolarHBondContact O-N 3.31Å; T137-R139 WeakPolarHBondContact OG1-CB 3.25Å; T137-R139 PolarHBondContact OG1-N 3.02Å; T137-S142 PolarHBondContact N-OG 3.34Å; T137-S142 PolarHBondContact O-OG 3.47Å; T137-S142 PolarHBondContact OG1-OG 2.8Å; T137-I144 PolarHBondContact N-O 2.03Å; T137-C146 CarbonylContact C-O 3.59Å; T137-C146 PolarHBondContact O-N 3.33Å; T137-W357 HydrophobicContact CG2-CH2 3.81Å; T137-W357 HydrophobicContact CG2-CZ3 4.28Å; T137-Y358 HydrophobicContact CG2-CD2 4.23Å; T137-Y358 HydrophobicContact CG2-CE2 3.61Å
138	F	97	Very high	97.3	Very high	10 Å²	10	29 Å²	29	4%	0.044	14%	0.138	C	C	.	.	S	Bend	trans	-70.4	-10.9	169.1	65.8	-96.3	0	0	0	114.1	E114 F145 C146 F148 D247 F248 Y358	E114-F138 WeakPolarHBondContact O-CE1 3.37Å; F138-F145 VanDerWaalsContact O-CE2 3.23Å; F138-F145 WeakPolarHBondContact O-CE2 3Å; F138-C146 VanDerWaalsContact CA-O 3.29Å; F138-C146 WeakPolarHBondContact CA-O 3.38Å; F138-C146 PolarHBondContact N-O 3.33Å; F138-F148 HydrophobicContact CB-CD2 3.89Å; F138-F148 HydrophobicContact CB-CE2 3.75Å; F138-F148 AromaticContact CD1-CE2 3.9Å; F138-F148 HydrophobicContact CD1-CE2 3.9Å; F138-F148 HydrophobicContact CG-CD2 4.46Å; F138-F148 AromaticContact CG-CE2 3.88Å; F138-F148 HydrophobicContact CG-CE2 3.88Å; F138-D247 HydrophobicContact CD2-CB 4.33Å; F138-D247 WeakPolarHBondContact CD2-O 3.33Å; F138-D247 HydrophobicContact CE2-CB 4.48Å; F138-F248 AromaticContact CD1-CD2 3.88Å; F138-F248 HydrophobicContact CD1-CD2 3.88Å; F138-F248 HydrophobicContact CD1-CE2 4.17Å; F138-F248 HydrophobicContact CD2-CB 4.41Å; F138-F248 HydrophobicContact CD2-CD2 4.05Å; F138-F248 AromaticContact CE1-CD2 3.43Å; F138-F248 HydrophobicContact CE1-CD2 3.43Å; F138-F248 VanDerWaalsContact CE1-CD2 3.43Å; F138-F248 AromaticContact CE1-CE2 3.78Å; F138-F248 HydrophobicContact CE1-CE2 3.78Å; F138-F248 HydrophobicContact CE2-CB 3.79Å; F138-F248 AromaticContact CE2-CD2 3.65Å; F138-F248 HydrophobicContact CE2-CD2 3.65Å; F138-F248 HydrophobicContact CE2-CG 4.22Å; F138-F248 HydrophobicContact CG-CD2 4.19Å; F138-F248 HydrophobicContact CZ-CB 4.13Å; F138-F248 AromaticContact CZ-CD2 3.34Å; F138-F248 HydrophobicContact CZ-CD2 3.34Å; F138-F248 HydrophobicContact CZ-CE2 4.12Å; F138-F248 HydrophobicContact CZ-CG 4.15Å; F138-Y358 WeakPolarHBondContact CE1-OH 3.29Å
139	R	97.3	Very high	97.1	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.015	13%	0.128	C	C	.	.	S	Bend	trans	-71.2	137.8	179.6	-66.8	177.7	57	117.4	7.3	109.9	T137 D141 S142 F145 W357 Y358 R361	T137-R139 PolarHBondContact O-N 3.31Å; T137-R139 WeakPolarHBondContact OG1-CB 3.25Å; T137-R139 PolarHBondContact OG1-N 3.02Å; R139-D141 VanDerWaalsContact CB-OD1 3.3Å; R139-D141 WeakPolarHBondContact CB-OD1 3.18Å; R139-D141 IonicContact CZ-OD1 3.77Å; R139-D141 IonicContact CZ-OD2 2.93Å; R139-D141 IonicContact NE-OD1 2.97Å; R139-D141 PolarHBondContact NE-OD1 3.32Å; R139-D141 IonicContact NE-OD2 2.62Å; R139-D141 IonicContact NH2-OD1 3.98Å; R139-D141 PolarHBondContact NH2-OD1 3.22Å; R139-D141 IonicContact NH2-OD2 3.15Å; R139-D141 PolarHBondContact NH2-OD2 2.93Å; R139-D141 PolarHBondContact O-N 3.44Å; R139-S142 PolarHBondContact O-N 3.34Å; R139-S142 PolarHBondContact O-OG 3.06Å; R139-F145 WeakPolarHBondContact O-CD2 3.15Å; R139-W357 HydrophobicContact CB-CZ2 4.31Å; R139-Y358 HydrophobicContact CG-CE2 4.18Å; R139-Y358 PolarHBondContact NH1-O 3.14Å; R139-R361 PolarHBondContact NH1-O 2.75Å; R139-R361 PolarHBondContact NH2-O 2.92Å; R139-R361 VanDerWaalsContact NH2-O 3.07Å
140	R	96.3	Very high	97.1	Very high	107 Å²	107	24.7 Å²	24.7	40%	0.404	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.7	-178.5	-67.4	176.7	-70.7	159.8	-2	113.6	F145 D247	R140-F145 HydrophobicContact CB-CE2 4.48Å; R140-F145 HydrophobicContact CG-CD2 4.35Å; R140-F145 HydrophobicContact CG-CE2 3.72Å; R140-F145 HydrophobicContact CG-CZ 4Å; R140-D247 IonicContact CZ-OD1 2.99Å; R140-D247 VanDerWaalsContact CZ-OD1 3.22Å; R140-D247 PolarHBondContact N-OD2 3.28Å; R140-D247 IonicContact NE-OD1 3.38Å; R140-D247 PolarHBondContact NE-OD1 3.05Å; R140-D247 IonicContact NE-OD2 3.49Å; R140-D247 PolarHBondContact NE-OD2 3.29Å; R140-D247 IonicContact NH2-OD1 3.88Å; R140-D247 PolarHBondContact NH2-OD1 3.5Å
141	D	96.9	Very high	97.4	Very high	64 Å²	64	19.9 Å²	19.9	34%	0.342	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	14.5	179	70.7	-15.7	0	0	0	113.7	R139	R139-D141 VanDerWaalsContact CB-OD1 3.3Å; R139-D141 WeakPolarHBondContact CB-OD1 3.18Å; R139-D141 IonicContact CZ-OD1 3.77Å; R139-D141 IonicContact CZ-OD2 2.93Å; R139-D141 IonicContact NE-OD1 2.97Å; R139-D141 PolarHBondContact NE-OD1 3.32Å; R139-D141 IonicContact NE-OD2 2.62Å; R139-D141 IonicContact NH2-OD1 3.98Å; R139-D141 PolarHBondContact NH2-OD1 3.22Å; R139-D141 IonicContact NH2-OD2 3.15Å; R139-D141 PolarHBondContact NH2-OD2 2.93Å; R139-D141 PolarHBondContact O-N 3.44Å
142	S	98.5	Very high	97.3	Very high	14 Å²	14	23.7 Å²	23.7	10%	0.098	11%	0.109	C	C	.	.	S	Bend	trans	-76.5	157	165.5	53.9	0	0	0	0	111.4	T135 T137 R139 I144	T135-S142 WeakPolarHBondContact OG1-CA 3.21Å; T135-S142 WeakPolarHBondContact OG1-CB 3.4Å; T137-S142 PolarHBondContact N-OG 3.34Å; T137-S142 PolarHBondContact O-OG 3.47Å; T137-S142 PolarHBondContact OG1-OG 2.8Å; R139-S142 PolarHBondContact O-N 3.34Å; R139-S142 PolarHBondContact O-OG 3.06Å; S142-I144 PolarHBondContact O-N 2.86Å; S142-I144 PolarHBondContact OG-O 2.85Å
143	D	98.7	Very high	97.2	Very high	54 Å²	54	29.5 Å²	29.5	29%	0.289	14%	0.139	S	C	.	.	S	Bend	trans	-59.1	-39.4	178.1	-59.5	-60.2	0	0	0	111.2	L134 T135 S348 S350	L134-D143 VanDerWaalsContact CA-OD2 3.28Å; L134-D143 WeakPolarHBondContact CA-OD2 3.32Å; L134-D143 HydrophobicContact CB-CB 4.38Å; L134-D143 HydrophobicContact CD2-CB 3.92Å; T135-D143 PolarHBondContact N-OD2 3.08Å; T135-D143 PolarHBondContact O-N 2.96Å; T135-D143 PolarHBondContact OG1-N 3.04Å; T135-D143 PolarHBondContact OG1-OD2 2.97Å; D143-S348 WeakPolarHBondContact OD1-CB 3.48Å; D143-S348 PolarHBondContact OD1-OG 3.46Å; D143-S348 VanDerWaalsContact OD1-OG 3.11Å; D143-S348 WeakPolarHBondContact OD2-CB 3.49Å; D143-S348 PolarHBondContact OD2-OG 3Å; D143-S350 PolarHBondContact OD1-OG 2.88Å; D143-S350 PolarHBondContact OD2-OG 2.02Å
144	I	98.8	Very high	97.2	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.1	174.4	-50.5	-55.7	0	0	0	108.1	T135 M136 T137 S142 G328 Q331 L332 R335	T135-I144 PolarHBondContact O-N 3.21Å; M136-I144 VanDerWaalsContact CA-O 3.31Å; M136-I144 WeakPolarHBondContact CA-O 3.39Å; M136-I144 HydrophobicContact CB-CB 3.88Å; M136-I144 HydrophobicContact CB-CG2 4.3Å; M136-I144 HydrophobicContact CG-CB 3.83Å; M136-I144 HydrophobicContact CG-CG2 3.69Å; M136-I144 HydrophobicContact SD-CB 4.32Å; M136-I144 HydrophobicContact SD-CG2 3.75Å; T137-I144 PolarHBondContact N-O 2.03Å; S142-I144 PolarHBondContact O-N 2.86Å; S142-I144 PolarHBondContact OG-O 2.85Å; I144-G328 WeakPolarHBondContact CG2-O 3.2Å; I144-Q331 HydrophobicContact CD1-CB 4.49Å; I144-Q331 HydrophobicContact CG2-CB 3.88Å; I144-L332 HydrophobicContact CD1-CB 4.37Å; I144-L332 HydrophobicContact CD1-CD1 4.43Å; I144-L332 HydrophobicContact CG1-CB 4.3Å; I144-L332 HydrophobicContact CG1-CD1 4.22Å; I144-L332 HydrophobicContact CG2-CB 4.16Å; I144-R335 HydrophobicContact CD1-CB 3.89Å; I144-R335 HydrophobicContact CD1-CG 4.26Å
145	F	98.3	Very high	97	Very high	34 Å²	34	39.9 Å²	39.9	15%	0.149	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	119.5	178.3	175.5	-124.2	0	0	0	110.3	F138 R139 R140 P147 Q331	F138-F145 VanDerWaalsContact O-CE2 3.23Å; F138-F145 WeakPolarHBondContact O-CE2 3Å; R139-F145 WeakPolarHBondContact O-CD2 3.15Å; R140-F145 HydrophobicContact CB-CE2 4.48Å; R140-F145 HydrophobicContact CG-CD2 4.35Å; R140-F145 HydrophobicContact CG-CE2 3.72Å; R140-F145 HydrophobicContact CG-CZ 4Å; F145-P147 HydrophobicContact CD1-CG 4.25Å; F145-P147 HydrophobicContact CE1-CB 3.91Å; F145-P147 HydrophobicContact CE1-CG 3.72Å; F145-P147 HydrophobicContact CE2-CB 4.12Å; F145-P147 HydrophobicContact CZ-CB 3.58Å; F145-P147 HydrophobicContact CZ-CG 3.95Å; F145-P147 WeakPolarHBondContact O-CD 3.47Å; F145-Q331 PolarHBondContact O-OE1 3.14Å; F145-Q331 VanDerWaalsContact O-OE1 3.08Å
146	C	97.7	Very high	96.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.			trans	-125	81.6	-177.6	-175.8	0	0	0	0	109.6	M113 M136 T137 F138 Y325	M113-C146 WeakPolarHBondContact CE-O 3.39Å; M113-C146 HydrophobicContact SD-CB 4.35Å; M136-C146 HydrophobicContact CG-CB 3.96Å; T137-C146 CarbonylContact C-O 3.59Å; T137-C146 PolarHBondContact O-N 3.33Å; F138-C146 VanDerWaalsContact CA-O 3.29Å; F138-C146 WeakPolarHBondContact CA-O 3.38Å; F138-C146 PolarHBondContact N-O 3.33Å; C146-Y325 WeakPolarHBondContact SG-CD1 3.32Å
147	P	96.9	Very high	96.8	Very high	7 Å²	7	48.1 Å²	48.1	5%	0.045	24%	0.244	C	C	.	.			trans	-69.5	158.5	-177.6	26.8	-32.3	0	0	0	112.2	F145 G149 Y150 G324 I327	F145-P147 HydrophobicContact CD1-CG 4.25Å; F145-P147 HydrophobicContact CE1-CB 3.91Å; F145-P147 HydrophobicContact CE1-CG 3.72Å; F145-P147 HydrophobicContact CE2-CB 4.12Å; F145-P147 HydrophobicContact CZ-CB 3.58Å; F145-P147 HydrophobicContact CZ-CG 3.95Å; F145-P147 WeakPolarHBondContact O-CD 3.47Å; P147-G149 VanDerWaalsContact C-N 3.32Å; P147-Y150 HydrophobicContact CG-CD1 4.28Å; P147-G324 VanDerWaalsContact O-CA 3.27Å; P147-G324 WeakPolarHBondContact O-CA 3.45Å; P147-I327 HydrophobicContact CG-CD1 4.11Å
148	F	94.7	Very high	96.8	Very high	10 Å²	10	52 Å²	52	4%	0.044	26%	0.264	C	S	.	.	S	Bend	trans	-69.7	-33.5	168.6	-71.6	-89.1	0	0	0	112.6	M113 F138 F248 T250 F254 F321	M113-F148 HydrophobicContact CB-CE1 4.38Å; M113-F148 HydrophobicContact CB-CZ 4.37Å; M113-F148 HydrophobicContact CE-CD1 3.82Å; M113-F148 HydrophobicContact CE-CD2 4.07Å; M113-F148 HydrophobicContact CE-CE1 3.9Å; M113-F148 HydrophobicContact CE-CE2 4.14Å; M113-F148 HydrophobicContact CE-CG 3.95Å; M113-F148 HydrophobicContact CE-CZ 4.11Å; M113-F148 WeakPolarHBondContact O-CZ 3.4Å; F138-F148 HydrophobicContact CB-CD2 3.89Å; F138-F148 HydrophobicContact CB-CE2 3.75Å; F138-F148 AromaticContact CD1-CE2 3.9Å; F138-F148 HydrophobicContact CD1-CE2 3.9Å; F138-F148 HydrophobicContact CG-CD2 4.46Å; F138-F148 AromaticContact CG-CE2 3.88Å; F138-F148 HydrophobicContact CG-CE2 3.88Å; F148-F248 HydrophobicContact CE2-CD2 4.18Å; F148-F248 AromaticContact CE2-CE2 3.98Å; F148-F248 HydrophobicContact CE2-CE2 3.98Å; F148-F248 AromaticContact CZ-CE2 3.9Å; F148-F248 HydrophobicContact CZ-CE2 3.9Å; F148-T250 HydrophobicContact CD2-CG2 4.12Å; F148-T250 HydrophobicContact CE1-CG2 4.3Å; F148-T250 HydrophobicContact CE2-CG2 3.68Å; F148-T250 HydrophobicContact CZ-CG2 3.72Å; F148-F254 HydrophobicContact CB-CD2 4.37Å; F148-F321 HydrophobicContact CB-CD2 4.38Å; F148-F321 AromaticContact CD1-CD2 3.9Å; F148-F321 HydrophobicContact CD1-CD2 3.9Å; F148-F321 HydrophobicContact CD1-CE2 4.13Å; F148-F321 WeakPolarHBondContact O-CA 3.5Å; F148-F321 VanDerWaalsContact O-CB 3.28Å; F148-F321 WeakPolarHBondContact O-CB 3.45Å; F148-F321 PolarHBondContact O-N 3.45Å
149	G	94	Very high	96.7	Very high	3 Å²	3	61 Å²	61	3%	0.031	30%	0.303	C	S	.	.			trans	-172.6	172.9	177.6	0	0	0	0	0	109.1	P147 F254 V319	P147-G149 VanDerWaalsContact C-N 3.32Å; G149-F254 WeakPolarHBondContact O-CE1 3.23Å; G149-F254 VanDerWaalsContact O-CE2 3.25Å; G149-F254 WeakPolarHBondContact O-CE2 3.29Å; G149-F254 WeakPolarHBondContact O-CZ 3.25Å; G149-V319 CarbonylContact C-O 3.38Å; G149-V319 WeakPolarHBondContact CA-O 3.37Å
150	Y	95.9	Very high	96.6	Very high	72 Å²	72	62.5 Å²	62.5	28%	0.282	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	166.5	-177.2	58.4	-83.1	0	0	0	110.8	P147 K152 V319 I327	P147-Y150 HydrophobicContact CG-CD1 4.28Å; Y150-K152 HydrophobicContact CE2-CB 4.44Å; Y150-V319 HydrophobicContact CD1-CB 3.99Å; Y150-V319 HydrophobicContact CD1-CG1 4.25Å; Y150-V319 HydrophobicContact CD2-CB 4.29Å; Y150-V319 HydrophobicContact CD2-CG2 4.24Å; Y150-V319 HydrophobicContact CE1-CB 3.63Å; Y150-V319 HydrophobicContact CE1-CG1 3.55Å; Y150-V319 HydrophobicContact CE1-CG2 4.13Å; Y150-V319 HydrophobicContact CE2-CB 3.97Å; Y150-V319 HydrophobicContact CE2-CG2 3.64Å; Y150-V319 HydrophobicContact CG-CB 4.3Å; Y150-V319 PolarHBondContact N-O 3.02Å; Y150-V319 VanDerWaalsContact N-O 3.08Å; Y150-V319 PolarHBondContact O-N 2.83Å; Y150-I327 HydrophobicContact CD1-CD1 3.6Å; Y150-I327 HydrophobicContact CD2-CD1 4.41Å; Y150-I327 HydrophobicContact CE1-CD1 3.32Å; Y150-I327 HydrophobicContact CE1-CG1 4.05Å; Y150-I327 HydrophobicContact CE2-CD1 4.17Å; Y150-I327 HydrophobicContact CG-CD1 4.15Å
151	L	96.4	Very high	96.6	Very high	28 Å²	28	60.9 Å²	60.9	15%	0.147	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.1	171.5	-56.4	-174.4	0	0	0	109.6	V257 L275 P276 W312 Y316 E317 A318	L151-V257 HydrophobicContact CD2-CG2 4.41Å; L151-L275 HydrophobicContact CD1-CD2 4.31Å; L151-P276 HydrophobicContact CD1-CG 3.72Å; L151-W312 HydrophobicContact CD1-CE3 4.24Å; L151-W312 HydrophobicContact CD1-CH2 4.19Å; L151-W312 HydrophobicContact CD1-CZ3 3.75Å; L151-W312 HydrophobicContact CD2-CH2 4.11Å; L151-W312 HydrophobicContact CD2-CZ3 4.03Å; L151-Y316 HydrophobicContact CB-CD1 4.25Å; L151-E317 WeakPolarHBondContact CA-O 3.36Å; L151-A318 HydrophobicContact CD2-CB 3.65Å
152	K	95.3	Very high	96.5	Very high	87 Å²	87	63 Å²	63	38%	0.378	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	146.1	169.8	59.2	173	159.9	131.8	0	110	Y150 Y316 E317 V319	Y150-K152 HydrophobicContact CE2-CB 4.44Å; K152-Y316 CarbonylContact O-C 3.45Å; K152-Y316 VanDerWaalsContact O-CA 3.22Å; K152-Y316 WeakPolarHBondContact O-CA 3.42Å; K152-E317 HydrophobicContact CD-CG 3.84Å; K152-E317 VanDerWaalsContact CE-CG 3.48Å; K152-E317 WeakPolarHBondContact CE-OE1 3.38Å; K152-E317 WeakPolarHBondContact CE-OE2 3.36Å; K152-E317 HydrophobicContact CG-CG 3.33Å; K152-E317 PolarHBondContact N-O 3.45Å; K152-E317 IonicContact NZ-OE1 3.02Å; K152-E317 PolarHBondContact NZ-OE1 3Å; K152-E317 IonicContact NZ-OE2 3.4Å; K152-E317 PolarHBondContact NZ-OE2 2.89Å; K152-E317 PolarHBondContact O-N 3.34Å; K152-V319 HydrophobicContact CD-CG2 4.19Å; K152-V319 HydrophobicContact CG-CG2 4.3Å
153	L	96.6	Very high	96.4	Very high	122 Å²	122	66.4 Å²	66.4	64%	0.639	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.1	171.4	-76.3	167	0	0	0	109.3	N315 Y316	L153-N315 WeakPolarHBondContact CA-O 3.44Å; L153-Y316 HydrophobicContact CD2-CD1 3.77Å; L153-Y316 HydrophobicContact CD2-CE1 3.27Å; L153-Y316 HydrophobicContact CD2-CE2 4.43Å; L153-Y316 HydrophobicContact CG-CD1 4.2Å; L153-Y316 HydrophobicContact CG-CE1 3.84Å
154	R	96.9	Very high	96.2	Very high	59 Å²	59	66.9 Å²	66.9	22%	0.223	36%	0.355	C	S	.	.			trans	-72.3	138.2	168.6	-65.7	-174.5	-179.5	-80.8	1	109.2	P156 K313 N315 Y316 E317	R154-P156 WeakPolarHBondContact CB-O 3.3Å; R154-K313 PolarHBondContact NE-O 3.42Å; R154-N315 PolarHBondContact N-O 3.21Å; R154-Y316 PolarHBondContact NE-O 3Å; R154-Y316 VanDerWaalsContact NE-O 3.11Å; R154-E317 HydrophobicContact CG-CB 4.31Å; R154-E317 HydrophobicContact CG-CG 4.22Å
155	N	95.7	Very high	96	Very high	160 Å²	160	67.3 Å²	67.3	86%	0.856	36%	0.357	S	S	*	.	S	Bend	trans	-136.9	103.5	170.9	-172.5	20.2	0	0	0	109.3
156	P	96.8	Very high	95.9	Very high	101 Å²	101	69.4 Å²	69.4	66%	0.656	37%	0.368	S	S	*	.	S	Bend	cis	-77.7	160.7	2.5	33.2	-36.1	0	0	0	113.3	R154	R154-P156 WeakPolarHBondContact CB-O 3.3Å
157	P	97	Very high	95.8	Very high	72 Å²	72	73.3 Å²	73.3	47%	0.468	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-59.3	151.2	165.1	-21.6	33.2	0	0	0	112.1	D314	P157-D314 CarbonylContact C-O 3.53Å; P157-D314 WeakPolarHBondContact CA-O 3.37Å
158	L	96.3	Very high	95.7	Very high	80 Å²	80	74.7 Å²	74.7	42%	0.419	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-81.4	163.4	170.7	-54.3	175.3	0	0	0	110.4	D314	L158-D314 HydrophobicContact CB-CB 4.27Å; L158-D314 PolarHBondContact N-O 3.5Å; L158-D314 WeakPolarHBondContact O-CB 3.19Å
159	K	95.6	Very high	95.7	Very high	201 Å²	201	74.2 Å²	74.2	87%	0.874	40%	0.4	S	S	*	.			trans	-130.6	72.7	172	-66.2	-176.7	-178.6	179.3	0	108.4	P161	K159-P161 WeakPolarHBondContact O-CD 3.13Å
160	T	95.9	Very high	95.8	Very high	34 Å²	34	76.3 Å²	76.3	21%	0.209	41%	0.414	C	S	.	.			trans	-74.7	121.4	-174.2	-58	0	0	0	0	109.8	V164 W165 D314	T160-V164 HydrophobicContact CG2-CB 3.84Å; T160-V164 HydrophobicContact CG2-CG1 3.76Å; T160-W165 VanDerWaalsContact CB-CE2 3.47Å; T160-W165 VanDerWaalsContact CB-CZ2 3.49Å; T160-W165 HydrophobicContact CG2-CD2 3.79Å; T160-W165 HydrophobicContact CG2-CE3 4.38Å; T160-W165 HydrophobicContact CG2-CG 4.18Å; T160-W165 HydrophobicContact CG2-CH2 4.24Å; T160-W165 HydrophobicContact CG2-CZ2 3.62Å; T160-W165 PolarHBondContact O-NE1 3.49Å; T160-D314 WeakPolarHBondContact CB-OD1 3.13Å; T160-D314 PolarHBondContact N-OD1 2.89Å; T160-D314 PolarHBondContact N-OD2 2.82Å; T160-D314 VanDerWaalsContact N-OD2 3.08Å; T160-D314 PolarHBondContact OG1-OD1 2.84Å
161	P	95.8	Very high	95.8	Very high	74 Å²	74	76 Å²	76	48%	0.481	42%	0.422	S	S	.	.			trans	-61	146.2	179.7	-23.6	34.3	0	0	0	112.1	K159 S163 V164 W165	K159-P161 WeakPolarHBondContact O-CD 3.13Å; P161-S163 PolarHBondContact O-N 2.94Å; P161-S163 VanDerWaalsContact O-N 3.15Å; P161-V164 HydrophobicContact CB-CG2 4.31Å; P161-V164 HydrophobicContact CG-CG2 4.28Å; P161-V164 WeakPolarHBondContact O-CB 3.14Å; P161-V164 PolarHBondContact O-N 2.92Å; P161-W165 PolarHBondContact O-N 3.33Å
162	L	93.8	Very high	95.8	Very high	107 Å²	107	74.9 Å²	74.9	56%	0.56	42%	0.416	S	S	*	.	H	α-helix	trans	-56.2	-33.5	177	-178.1	61.7	0	0	0	112.4	V164 W165 M166 I307	L162-V164 VanDerWaalsContact C-N 3.31Å; L162-V164 PolarHBondContact O-N 3.3Å; L162-W165 PolarHBondContact O-N 3.4Å; L162-M166 WeakPolarHBondContact O-CB 3.44Å; L162-M166 PolarHBondContact O-N 2.94Å; L162-I307 HydrophobicContact CD1-CD1 4.26Å; L162-I307 HydrophobicContact CD1-CG2 4.22Å
163	S	96.3	Very high	95.7	Very high	86 Å²	86	80.4 Å²	80.4	60%	0.601	44%	0.435	S	S	*	.	H	α-helix	trans	-61	-37.3	176.1	54.4	0	0	0	0	113	P161 M166 S167	P161-S163 PolarHBondContact O-N 2.94Å; P161-S163 VanDerWaalsContact O-N 3.15Å; S163-M166 PolarHBondContact O-N 3.48Å; S163-S167 WeakPolarHBondContact O-CB 3.05Å; S163-S167 PolarHBondContact O-N 3.38Å
164	V	96	Very high	95.8	Very high	64 Å²	64	78.2 Å²	78.2	39%	0.388	42%	0.42	S	S	.	.	H	α-helix	trans	-67.6	-46.7	175.6	175.2	0	0	0	0	109.9	T160 P161 L162 M166 S167 I168	T160-V164 HydrophobicContact CG2-CB 3.84Å; T160-V164 HydrophobicContact CG2-CG1 3.76Å; P161-V164 HydrophobicContact CB-CG2 4.31Å; P161-V164 HydrophobicContact CG-CG2 4.28Å; P161-V164 WeakPolarHBondContact O-CB 3.14Å; P161-V164 PolarHBondContact O-N 2.92Å; L162-V164 VanDerWaalsContact C-N 3.31Å; L162-V164 PolarHBondContact O-N 3.3Å; V164-M166 VanDerWaalsContact C-N 3.3Å; V164-M166 PolarHBondContact O-N 3.05Å; V164-S167 PolarHBondContact O-N 3.46Å; V164-I168 HydrophobicContact CG1-CD1 4.14Å; V164-I168 WeakPolarHBondContact O-CG1 3.36Å; V164-I168 PolarHBondContact O-N 2.97Å
165	W	94.9	Very high	95.8	Very high	13 Å²	13	78.9 Å²	78.9	5%	0.049	42%	0.424	C	S	.	.	H	α-helix	trans	-60.2	-39.7	175.6	-68.1	129.9	0	0	0	112.9	T160 P161 L162 I168 A169 H260 I307 Y310 K313	T160-W165 VanDerWaalsContact CB-CE2 3.47Å; T160-W165 VanDerWaalsContact CB-CZ2 3.49Å; T160-W165 HydrophobicContact CG2-CD2 3.79Å; T160-W165 HydrophobicContact CG2-CE3 4.38Å; T160-W165 HydrophobicContact CG2-CG 4.18Å; T160-W165 HydrophobicContact CG2-CH2 4.24Å; T160-W165 HydrophobicContact CG2-CZ2 3.62Å; T160-W165 PolarHBondContact O-NE1 3.49Å; P161-W165 PolarHBondContact O-N 3.33Å; L162-W165 PolarHBondContact O-N 3.4Å; W165-I168 HydrophobicContact CE3-CD1 4.04Å; W165-I168 HydrophobicContact CZ3-CD1 4.19Å; W165-I168 PolarHBondContact O-N 3.25Å; W165-A169 WeakPolarHBondContact O-CB 3.31Å; W165-A169 PolarHBondContact O-N 2.86Å; W165-H260 AromaticContact CZ3-CE1 3.7Å; W165-H260 AromaticContact CZ3-NE2 3.9Å; W165-I307 HydrophobicContact CB-CD1 4.21Å; W165-I307 HydrophobicContact CB-CG1 4.14Å; W165-I307 HydrophobicContact CB-CG2 3.65Å; W165-I307 HydrophobicContact CG-CG2 4.03Å; W165-Y310 HydrophobicContact CB-CE2 4.27Å; W165-Y310 HydrophobicContact CD2-CD2 4.04Å; W165-Y310 AromaticContact CD2-CE2 3.91Å; W165-Y310 HydrophobicContact CD2-CE2 3.91Å; W165-Y310 AromaticContact CE3-CD2 3.46Å; W165-Y310 HydrophobicContact CE3-CD2 3.46Å; W165-Y310 VanDerWaalsContact CE3-CD2 3.46Å; W165-Y310 AromaticContact CE3-CE2 3.38Å; W165-Y310 HydrophobicContact CE3-CE2 3.38Å; W165-Y310 HydrophobicContact CG-CE2 4.32Å; W165-Y310 HydrophobicContact CH2-CD2 4.34Å; W165-Y310 AromaticContact CZ3-CD2 3.63Å; W165-Y310 HydrophobicContact CZ3-CD2 3.63Å; W165-Y310 HydrophobicContact CZ3-CE2 4.01Å; W165-K313 HydrophobicContact CH2-CB 4.08Å; W165-K313 HydrophobicContact CH2-CD 4.39Å
166	M	95.7	Very high	95.9	Very high	78 Å²	78	71.3 Å²	71.3	38%	0.384	38%	0.384	S	S	.	.	H	α-helix	trans	-65.4	-41.4	177.1	-163.9	68.3	143.8	0	0	112	L162 S163 V164 A169 S170 L303 I307	L162-M166 WeakPolarHBondContact O-CB 3.44Å; L162-M166 PolarHBondContact O-N 2.94Å; S163-M166 PolarHBondContact O-N 3.48Å; V164-M166 VanDerWaalsContact C-N 3.3Å; V164-M166 PolarHBondContact O-N 3.05Å; M166-A169 PolarHBondContact O-N 2.92Å; M166-S170 VanDerWaalsContact O-CB 3.26Å; M166-S170 WeakPolarHBondContact O-CB 3.3Å; M166-S170 PolarHBondContact O-N 2.68Å; M166-S170 PolarHBondContact O-OG 2.82Å; M166-L303 HydrophobicContact CE-CB 4.38Å; M166-L303 HydrophobicContact CE-CD1 4.37Å; M166-L303 HydrophobicContact SD-CB 3.8Å; M166-L303 HydrophobicContact SD-CD1 3.9Å; M166-I307 HydrophobicContact CB-CD1 4.36Å; M166-I307 HydrophobicContact SD-CD1 3.81Å
167	S	96	Very high	95.9	Very high	81 Å²	81	66.5 Å²	66.5	57%	0.566	35%	0.353	S	S	*	.	H	α-helix	trans	-61.5	-47.7	176.1	-179.2	0	0	0	0	111.4	S163 V164 A169 S170 S171	S163-S167 WeakPolarHBondContact O-CB 3.05Å; S163-S167 PolarHBondContact O-N 3.38Å; V164-S167 PolarHBondContact O-N 3.46Å; S167-A169 PolarHBondContact O-N 3.45Å; S167-S170 PolarHBondContact O-N 2.93Å; S167-S171 WeakPolarHBondContact O-CB 3.12Å; S167-S171 PolarHBondContact O-N 3.14Å
168	I	94	Very high	95.9	Very high	36 Å²	36	63.8 Å²	63.8	19%	0.185	33%	0.333	C	S	.	.	H	α-helix	trans	-58.9	-50.8	175.4	-66.3	172.1	0	0	0	110.5	V164 W165 S170 S171 H260	V164-I168 HydrophobicContact CG1-CD1 4.14Å; V164-I168 WeakPolarHBondContact O-CG1 3.36Å; V164-I168 PolarHBondContact O-N 2.97Å; W165-I168 HydrophobicContact CE3-CD1 4.04Å; W165-I168 HydrophobicContact CZ3-CD1 4.19Å; W165-I168 PolarHBondContact O-N 3.25Å; I168-S170 VanDerWaalsContact C-N 3.27Å; I168-S170 PolarHBondContact O-N 2.95Å; I168-S171 PolarHBondContact O-N 3.1Å; I168-S171 PolarHBondContact O-OG 2.86Å; I168-H260 VanDerWaalsContact CD1-CE1 3.43Å; I168-H260 WeakPolarHBondContact CD1-CE1 3.39Å; I168-H260 VanDerWaalsContact CD1-ND1 3.31Å; I168-H260 WeakPolarHBondContact CD1-ND1 3.39Å; I168-H260 HydrophobicContact CG2-CB 3.81Å; I168-H260 VanDerWaalsContact CG2-ND1 3.26Å; I168-H260 WeakPolarHBondContact CG2-ND1 3.08Å
169	A	95	Very high	95.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.2	-41.6	-180	0	0	0	0	0	112.4	W165 M166 S167 L303 Y306 I307 Y310	W165-A169 WeakPolarHBondContact O-CB 3.31Å; W165-A169 PolarHBondContact O-N 2.86Å; M166-A169 PolarHBondContact O-N 2.92Å; S167-A169 PolarHBondContact O-N 3.45Å; A169-L303 HydrophobicContact CB-CD1 4.44Å; A169-L303 HydrophobicContact CB-CD2 4.11Å; A169-Y306 HydrophobicContact CB-CD1 3.86Å; A169-Y306 HydrophobicContact CB-CE1 4.01Å; A169-I307 HydrophobicContact CB-CD1 4.28Å; A169-I307 HydrophobicContact CB-CG1 4.06Å; A169-Y310 WeakPolarHBondContact CB-OH 3.47Å
170	S	95.3	Very high	95.7	Very high	48 Å²	48	51.7 Å²	51.7	34%	0.336	28%	0.279	S	S	.	.	H	α-helix	trans	-75.9	-28	-176.9	-57.6	0	0	0	0	113.1	M166 S167 I168 K172 R173 L303	M166-S170 VanDerWaalsContact O-CB 3.26Å; M166-S170 WeakPolarHBondContact O-CB 3.3Å; M166-S170 PolarHBondContact O-N 2.68Å; M166-S170 PolarHBondContact O-OG 2.82Å; S167-S170 PolarHBondContact O-N 2.93Å; I168-S170 VanDerWaalsContact C-N 3.27Å; I168-S170 PolarHBondContact O-N 2.95Å; S170-K172 VanDerWaalsContact C-N 3.3Å; S170-K172 PolarHBondContact O-N 2.7Å; S170-R173 PolarHBondContact O-NH1 3.28Å; S170-L303 WeakPolarHBondContact OG-CD1 3.46Å
171	S	95.9	Very high	95.5	Very high	64 Å²	64	53.1 Å²	53.1	45%	0.448	29%	0.291	S	S	.	.	H	α-helix	trans	-68.2	-27.7	178.6	71.6	0	0	0	0	113.5	S167 I168 R173	S167-S171 WeakPolarHBondContact O-CB 3.12Å; S167-S171 PolarHBondContact O-N 3.14Å; I168-S171 PolarHBondContact O-N 3.1Å; I168-S171 PolarHBondContact O-OG 2.86Å; S171-R173 PolarHBondContact O-N 2.73Å
172	K	96	Very high	95.3	Very high	5 Å²	5	53.9 Å²	53.9	2%	0.022	29%	0.287	C	S	.	.			trans	-80.5	112.2	-178.4	-68.4	161.6	174.5	-69.8	0	110.4	S170 K231 N233 Y234 K235 S259 H260	S170-K172 VanDerWaalsContact C-N 3.3Å; S170-K172 PolarHBondContact O-N 2.7Å; K172-K231 PolarHBondContact NZ-O 3.45Å; K172-N233 CarbonylContact C-O 3.55Å; K172-Y234 WeakPolarHBondContact CD-O 3.36Å; K172-Y234 PolarHBondContact NZ-O 3.06Å; K172-K235 HydrophobicContact CB-CG 3.69Å; K172-K235 HydrophobicContact CD-CG 4.32Å; K172-K235 VanDerWaalsContact O-CE 3.25Å; K172-K235 WeakPolarHBondContact O-CE 3.23Å; K172-S259 PolarHBondContact NZ-O 2.94Å; K172-H260 WeakPolarHBondContact CE-O 3.18Å; K172-H260 PolarHBondContact NZ-O 3.36Å
173	R	95.1	Very high	95.4	Very high	203 Å²	203	50.2 Å²	50.2	77%	0.766	27%	0.27	S	S	*	.			trans	-92.4	-22.3	-174.8	-58.9	-55.9	-173.3	-170.9	1.9	114.6	S170 S171 N233	S170-R173 PolarHBondContact O-NH1 3.28Å; S171-R173 PolarHBondContact O-N 2.73Å; R173-N233 PolarHBondContact N-O 2.8Å
174	K	97.2	Very high	95.4	Very high	76 Å²	76	55.5 Å²	55.5	33%	0.33	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	151.9	-177.5	-63.7	-173.2	161	-146.8	0	111.3	D203 N233 Y234 K235	K174-D203 WeakPolarHBondContact CD-OD2 3.23Å; K174-D203 IonicContact NZ-OD1 3.22Å; K174-D203 IonicContact NZ-OD2 3.36Å; K174-D203 PolarHBondContact NZ-OD2 2.91Å; K174-N233 WeakPolarHBondContact CA-O 3.31Å; K174-N233 WeakPolarHBondContact CB-O 3.4Å; K174-N233 HydrophobicContact CD-CB 4.23Å; K174-N233 HydrophobicContact CG-CB 4.35Å; K174-N233 PolarHBondContact N-O 2.97Å; K174-Y234 HydrophobicContact CB-CD1 3.49Å; K174-Y234 VanDerWaalsContact CB-CD1 3.49Å; K174-Y234 HydrophobicContact CB-CD2 4.48Å; K174-Y234 HydrophobicContact CB-CE1 3.58Å; K174-Y234 HydrophobicContact CB-CG 4.01Å; K174-Y234 HydrophobicContact CD-CD1 4.21Å; K174-Y234 HydrophobicContact CD-CD2 4.45Å; K174-Y234 HydrophobicContact CD-CE1 3.5Å; K174-Y234 HydrophobicContact CD-CE2 3.85Å; K174-Y234 WeakPolarHBondContact CD-OH 3.44Å; K174-Y234 HydrophobicContact CG-CE1 4.21Å; K174-Y234 PolarHBondContact NZ-OH 3.01Å; K174-Y234 VanDerWaalsContact NZ-OH 3.09Å; K174-Y234 WeakPolarHBondContact O-CA 3.31Å; K174-K235 PolarHBondContact O-N 3.28Å
175	K	97.1	Very high	95.5	Very high	73 Å²	73	53 Å²	53	32%	0.317	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-82.1	-178	-62.8	-178.8	-173	176.2	0	111.1	L200 K235 F236 D297 N300	K175-L200 HydrophobicContact CD-CD1 3.87Å; K175-K235 PolarHBondContact O-N 2.92Å; K175-F236 WeakPolarHBondContact O-CD2 3.16Å; K175-F236 PolarHBondContact O-N 2.77Å; K175-D297 IonicContact NZ-OD1 2.77Å; K175-D297 PolarHBondContact NZ-OD1 2.79Å; K175-N300 WeakPolarHBondContact CE-ND2 3.35Å; K175-N300 HydrophobicContact CG-CB 4.45Å
176	V	98.4	Very high	95.6	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.6	-167.3	-169.7	0	0	0	0	111.4	L200 V202 D203 F236 I238 I264 I296	V176-L200 HydrophobicContact CG2-CD2 3.54Å; V176-L200 HydrophobicContact CG2-CG 4.25Å; V176-V202 HydrophobicContact CB-CG1 4.5Å; V176-V202 HydrophobicContact CB-CG2 4.23Å; V176-V202 HydrophobicContact CG1-CG1 4.09Å; V176-V202 HydrophobicContact CG1-CG2 4.19Å; V176-D203 PolarHBondContact O-N 2.62Å; V176-D203 VanDerWaalsContact O-N 3.08Å; V176-F236 WeakPolarHBondContact CA-O 3.35Å; V176-F236 HydrophobicContact CG2-CB 4.07Å; V176-F236 HydrophobicContact CG2-CD2 4.41Å; V176-I238 HydrophobicContact CG1-CD1 3.84Å; V176-I238 HydrophobicContact CG1-CG1 3.62Å; V176-I264 HydrophobicContact CG1-CD1 4.3Å; V176-I296 HydrophobicContact CG2-CD1 4.3Å; V176-I296 HydrophobicContact CG2-CG2 3.97Å
177	V	97.4	Very high	95.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.7	166.1	64.9	0	0	0	0	111.1	V179 D203 Y205 F230 Y234 F236 Y237 I238 M261	V177-V179 HydrophobicContact CG2-CG2 4.26Å; V177-D203 CarbonylContact C-O 3.55Å; V177-D203 WeakPolarHBondContact CA-O 3.28Å; V177-Y205 HydrophobicContact CG2-CD2 3.69Å; V177-Y205 HydrophobicContact CG2-CE2 3.98Å; V177-F230 HydrophobicContact CG1-CD1 4.43Å; V177-F230 HydrophobicContact CG1-CG 4.47Å; V177-F230 HydrophobicContact CG2-CD1 3.87Å; V177-F230 HydrophobicContact CG2-CE1 3.82Å; V177-F230 HydrophobicContact CG2-CZ 4.43Å; V177-Y234 HydrophobicContact CB-CD1 3.53Å; V177-Y234 HydrophobicContact CB-CD2 4.1Å; V177-Y234 HydrophobicContact CB-CE1 3.63Å; V177-Y234 HydrophobicContact CB-CE2 4.16Å; V177-Y234 HydrophobicContact CB-CG 3.74Å; V177-Y234 HydrophobicContact CG1-CD1 4.07Å; V177-Y234 HydrophobicContact CG1-CD2 4.18Å; V177-Y234 HydrophobicContact CG1-CG 3.81Å; V177-Y234 HydrophobicContact CG2-CE1 4.26Å; V177-Y234 HydrophobicContact CG2-CE2 4.31Å; V177-F236 PolarHBondContact N-O 3.21Å; V177-Y237 HydrophobicContact CG1-CD2 3.93Å; V177-Y237 WeakPolarHBondContact O-CA 3.32Å; V177-Y237 WeakPolarHBondContact O-CD2 3.49Å; V177-I238 PolarHBondContact O-N 2.93Å; V177-M261 HydrophobicContact CG1-SD 4.09Å
178	W	97.1	Very high	95.8	Very high	15 Å²	15	49.9 Å²	49.9	6%	0.057	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.7	170.5	-174.3	35.5	0	0	0	110	V180 R189 E190 V193 V202 D203 T204 Y205 I238	W178-V180 HydrophobicContact CD2-CB 4.09Å; W178-V180 HydrophobicContact CD2-CG1 3.58Å; W178-V180 HydrophobicContact CE3-CG1 3.67Å; W178-V180 HydrophobicContact CG-CG1 4.21Å; W178-V180 HydrophobicContact CH2-CB 4.36Å; W178-V180 HydrophobicContact CH2-CG1 3.96Å; W178-V180 HydrophobicContact CH2-CG2 4.14Å; W178-V180 HydrophobicContact CZ2-CB 3.85Å; W178-V180 HydrophobicContact CZ2-CG1 3.88Å; W178-V180 HydrophobicContact CZ2-CG2 3.72Å; W178-V180 HydrophobicContact CZ3-CG1 3.87Å; W178-R189 HydrophobicContact CZ2-CG 4.24Å; W178-E190 HydrophobicContact CH2-CB 4.17Å; W178-V193 HydrophobicContact CD2-CG1 4.12Å; W178-V193 HydrophobicContact CD2-CG2 4.22Å; W178-V193 HydrophobicContact CE3-CB 4.08Å; W178-V193 HydrophobicContact CE3-CG1 3.49Å; W178-V193 VanDerWaalsContact CE3-CG1 3.49Å; W178-V193 HydrophobicContact CE3-CG2 4.23Å; W178-V193 HydrophobicContact CH2-CB 4.1Å; W178-V193 HydrophobicContact CH2-CG1 4.4Å; W178-V193 HydrophobicContact CH2-CG2 4.13Å; W178-V193 HydrophobicContact CZ2-CG2 4.11Å; W178-V193 HydrophobicContact CZ3-CB 3.82Å; W178-V193 HydrophobicContact CZ3-CG1 3.65Å; W178-V193 HydrophobicContact CZ3-CG2 4.18Å; W178-V202 HydrophobicContact CB-CG1 3.85Å; W178-D203 PolarHBondContact N-O 3.15Å; W178-T204 HydrophobicContact CD2-CG2 4.42Å; W178-T204 HydrophobicContact CE3-CG2 3.71Å; W178-T204 HydrophobicContact CZ3-CG2 4.31Å; W178-T204 CarbonylContact O-C 3.53Å; W178-T204 WeakPolarHBondContact O-CA 3.29Å; W178-Y205 PolarHBondContact O-N 2.98Å; W178-I238 HydrophobicContact CB-CB 4.09Å; W178-I238 HydrophobicContact CB-CD1 4.26Å; W178-I238 HydrophobicContact CG-CB 3.98Å; W178-I238 HydrophobicContact CG-CD1 4.47Å; W178-I238 HydrophobicContact CG-CG2 4.17Å
179	V	94.3	Very high	96	Very high	24 Å²	24	48.4 Å²	48.4	15%	0.145	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.1	-178.6	-172.7	0	0	0	0	108.3	V177 Y205 F230 Y237	V177-V179 HydrophobicContact CG2-CG2 4.26Å; V179-Y205 CarbonylContact C-O 3.54Å; V179-Y205 WeakPolarHBondContact CA-O 3.27Å; V179-F230 HydrophobicContact CG2-CD2 4.08Å; V179-F230 HydrophobicContact CG2-CE1 4.48Å; V179-F230 HydrophobicContact CG2-CE2 3.41Å; V179-F230 VanDerWaalsContact CG2-CE2 3.41Å; V179-F230 HydrophobicContact CG2-CZ 3.65Å; V179-Y237 HydrophobicContact CB-CE2 4.18Å; V179-Y237 HydrophobicContact CG2-CE2 3.97Å
180	V	93	Very high	96.1	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.018	24%	0.242	C	C	.	.			trans	-148.2	128.3	-166.7	53.8	0	0	0	0	112.5	W178 R189 T204 Y205 G206 Y207 C208	W178-V180 HydrophobicContact CD2-CB 4.09Å; W178-V180 HydrophobicContact CD2-CG1 3.58Å; W178-V180 HydrophobicContact CE3-CG1 3.67Å; W178-V180 HydrophobicContact CG-CG1 4.21Å; W178-V180 HydrophobicContact CH2-CB 4.36Å; W178-V180 HydrophobicContact CH2-CG1 3.96Å; W178-V180 HydrophobicContact CH2-CG2 4.14Å; W178-V180 HydrophobicContact CZ2-CB 3.85Å; W178-V180 HydrophobicContact CZ2-CG1 3.88Å; W178-V180 HydrophobicContact CZ2-CG2 3.72Å; W178-V180 HydrophobicContact CZ3-CG1 3.87Å; V180-R189 VanDerWaalsContact CG2-NH2 3.29Å; V180-T204 HydrophobicContact CG1-CG2 3.6Å; V180-Y205 PolarHBondContact N-O 2.97Å; V180-G206 CarbonylContact O-C 3.56Å; V180-G206 WeakPolarHBondContact O-CA 3.39Å; V180-Y207 PolarHBondContact O-N 2.94Å; V180-Y207 VanDerWaalsContact O-N 3.14Å; V180-C208 HydrophobicContact CG1-CB 4Å; V180-C208 HydrophobicContact CG2-CB 4.17Å; V180-C208 PolarHBondContact O-N 3.45Å
181	S	91.4	Very high	96.3	Very high	65 Å²	65	51.3 Å²	51.3	46%	0.455	24%	0.244	S	C	.	.	S	Bend	trans	-125.1	-0.1	174.4	-60.6	0	0	0	0	114.1	Y207 C208	S181-Y207 PolarHBondContact OG-N 3.18Å; S181-C208 VanDerWaalsContact C-SG 3.59Å
182	F	91.8	Very high	96.4	Very high	89 Å²	89	48.4 Å²	48.4	39%	0.39	22%	0.224	S	C	.	.			trans	-117.9	104.7	174.8	-166.4	-125.4	0	0	0	108.9	Y118 Y184 T185 R189 N242	Y118-F182 HydrophobicContact CE1-CE1 4.22Å; Y118-F182 HydrophobicContact CE1-CZ 4.31Å; Y118-F182 AromaticContact CZ-CE1 3.93Å; Y118-F182 WeakPolarHBondContact OH-CE1 3.45Å; F182-Y184 WeakPolarHBondContact CE1-O 3.25Å; F182-Y184 WeakPolarHBondContact CZ-O 3.28Å; F182-T185 HydrophobicContact CD1-CG2 3.64Å; F182-T185 HydrophobicContact CE1-CG2 4.14Å; F182-T185 HydrophobicContact CG-CG2 4.45Å; F182-T185 WeakPolarHBondContact O-CG2 3.41Å; F182-R189 PolarHBondContact O-NH2 2.86Å; F182-N242 HydrophobicContact CD1-CB 4.2Å
183	C	94.7	Very high	96.5	Very high	30 Å²	30	48.1 Å²	48.1	20%	0.203	22%	0.222	C	C	.	.			trans	-93.1	-18.9	-160.7	-43.2	0	0	0	0	114.3	E190 C208	C183-E190 VanDerWaalsContact O-CG 3.31Å; C183-E190 WeakPolarHBondContact O-CG 3.48Å; C183-C208 WeakPolarHBondContact CA-SG 3.24Å; C183-C208 HydrophobicContact CB-CB 3.89Å; C183-C208 WeakPolarHBondContact CB-SG 3.37Å; C183-C208 PolarHBondContact N-SG 2.87Å; C183-C208 VanDerWaalsContact SG-CA 3.56Å; C183-C208 WeakPolarHBondContact SG-CB 3.34Å; C183-C208 CovalentContact SG-SG 2.03Å; C183-C208 PolarHBondContact SG-SG 3.49Å
184	Y	96.5	Very high	96.6	Very high	198 Å²	198	40.9 Å²	40.9	78%	0.776	21%	0.206	S	C	*	.	S	Bend	trans	-123.6	108.1	178.6	-59.3	-75.7	0	0	0	107.3	F182	F182-Y184 WeakPolarHBondContact CE1-O 3.25Å; F182-Y184 WeakPolarHBondContact CZ-O 3.28Å
185	T	98	Very high	96.7	Very high	10 Å²	10	39 Å²	39	6%	0.061	20%	0.198	C	C	.	.			trans	-120.8	149.8	-169.9	68	0	0	0	0	111.4	F182 S187 Q188 R189 E190 N242	F182-T185 HydrophobicContact CD1-CG2 3.64Å; F182-T185 HydrophobicContact CE1-CG2 4.14Å; F182-T185 HydrophobicContact CG-CG2 4.45Å; F182-T185 WeakPolarHBondContact O-CG2 3.41Å; T185-S187 PolarHBondContact O-N 3.5Å; T185-S187 PolarHBondContact OG1-OG 2.98Å; T185-S187 VanDerWaalsContact OG1-OG 3.13Å; T185-Q188 PolarHBondContact O-N 2.04Å; T185-Q188 PolarHBondContact OG1-N 2.73Å; T185-Q188 VanDerWaalsContact OG1-N 3.15Å; T185-R189 HydrophobicContact CG2-CG 4.28Å; T185-R189 PolarHBondContact OG1-N 3.09Å; T185-E190 PolarHBondContact N-OE1 3.42Å; T185-E190 PolarHBondContact OG1-OE2 2.78Å; T185-N242 WeakPolarHBondContact CB-O 3.1Å
186	T	97.8	Very high	96.7	Very high	44 Å²	44	35.5 Å²	35.5	27%	0.27	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-29.4	173.6	53.6	0	0	0	0	111.7	H117 Y118 Q188 N242 S243 G367	H117-T186 HydrophobicContact CB-CG2 3.93Å; H117-T186 PolarHBondContact CD2-OG1 2.79Å; Y118-T186 PolarHBondContact OH-OG1 3.26Å; T186-Q188 PolarHBondContact O-N 3.06Å; T186-N242 PolarHBondContact N-O 3.32Å; T186-N242 PolarHBondContact OG1-O 2.78Å; T186-N242 VanDerWaalsContact OG1-O 3.13Å; T186-S243 PolarHBondContact OG1-OG 3.45Å; T186-S243 VanDerWaalsContact OG1-OG 3.08Å; T186-G367 PolarHBondContact O-N 3.26Å
187	S	98.1	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.7	171.9	66.9	0	0	0	0	113.6	T185 R189 E241 N242 G367 Y368 G369	T185-S187 PolarHBondContact O-N 3.5Å; T185-S187 PolarHBondContact OG1-OG 2.98Å; T185-S187 VanDerWaalsContact OG1-OG 3.13Å; S187-R189 PolarHBondContact O-N 3.17Å; S187-R189 PolarHBondContact OG-N 3.13Å; S187-E241 PolarHBondContact OG-O 3.13Å; S187-N242 PolarHBondContact N-O 2.9Å; S187-N242 VanDerWaalsContact N-O 3.16Å; S187-N242 PolarHBondContact OG-O 3.08Å; S187-G367 CarbonylContact O-C 3.56Å; S187-Y368 PolarHBondContact O-N 2.68Å; S187-G369 WeakPolarHBondContact O-CA 3.35Å; S187-G369 PolarHBondContact O-N 2.79Å
188	Q	98.1	Very high	96.8	Very high	64 Å²	64	46.3 Å²	46.3	30%	0.299	23%	0.231	S	C	.	.			trans	52.2	34.4	-171.5	-61.6	-179.7	-22.4	0	0	112.8	T185 T186 E190 L191 K370	T185-Q188 PolarHBondContact O-N 2.04Å; T185-Q188 PolarHBondContact OG1-N 2.73Å; T185-Q188 VanDerWaalsContact OG1-N 3.15Å; T186-Q188 PolarHBondContact O-N 3.06Å; Q188-E190 PolarHBondContact O-N 3.05Å; Q188-L191 HydrophobicContact CB-CD1 4.12Å; Q188-L191 HydrophobicContact CB-CG 4.36Å; Q188-L191 HydrophobicContact CG-CD1 4.47Å; Q188-L191 PolarHBondContact O-N 3.39Å; Q188-L191 VanDerWaalsContact O-N 3.16Å; Q188-K370 HydrophobicContact CB-CB 4.15Å; Q188-K370 VanDerWaalsContact OE1-CD 3.25Å
189	R	97.9	Very high	96.8	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-59.1	-31.2	-178.9	70.2	-177.5	174.9	155.1	-4.4	112.3	W178 V180 F182 T185 S187 L191 Y192 V193 F240 E241 N242 M266	W178-R189 HydrophobicContact CZ2-CG 4.24Å; V180-R189 VanDerWaalsContact CG2-NH2 3.29Å; F182-R189 PolarHBondContact O-NH2 2.86Å; T185-R189 HydrophobicContact CG2-CG 4.28Å; T185-R189 PolarHBondContact OG1-N 3.09Å; S187-R189 PolarHBondContact O-N 3.17Å; S187-R189 PolarHBondContact OG-N 3.13Å; R189-L191 VanDerWaalsContact C-N 3.28Å; R189-L191 PolarHBondContact O-N 3.05Å; R189-Y192 PolarHBondContact O-N 3.08Å; R189-V193 WeakPolarHBondContact O-CG2 3.25Å; R189-V193 PolarHBondContact O-N 2.97Å; R189-F240 HydrophobicContact CB-CB 3.87Å; R189-F240 HydrophobicContact CB-CD2 3.97Å; R189-F240 HydrophobicContact CB-CG 4.36Å; R189-F240 WeakPolarHBondContact CD-O 3.21Å; R189-F240 HydrophobicContact CG-CB 4.32Å; R189-F240 PolarHBondContact NH1-O 3.38Å; R189-E241 WeakPolarHBondContact CD-O 3.47Å; R189-N242 VanDerWaalsContact CZ-OD1 3.3Å; R189-N242 PolarHBondContact NH2-OD1 3.27Å; R189-M266 HydrophobicContact CB-SD 3.97Å
190	E	98	Very high	97	Very high	38 Å²	38	49.4 Å²	49.4	18%	0.178	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-35.3	179	63.6	-79.5	180	0	0	112.4	W178 C183 T185 Q188 V193 A194	W178-E190 HydrophobicContact CH2-CB 4.17Å; C183-E190 VanDerWaalsContact O-CG 3.31Å; C183-E190 WeakPolarHBondContact O-CG 3.48Å; T185-E190 PolarHBondContact N-OE1 3.42Å; T185-E190 PolarHBondContact OG1-OE2 2.78Å; Q188-E190 PolarHBondContact O-N 3.05Å; E190-V193 PolarHBondContact O-N 3.32Å; E190-A194 WeakPolarHBondContact O-CB 3.08Å; E190-A194 PolarHBondContact O-N 3.46Å
191	L	98	Very high	97.2	Very high	72 Å²	72	56 Å²	56	38%	0.377	27%	0.272	S	S	.	.	H	α-helix	trans	-69.6	-38.9	178.1	-59.7	-175.4	0	0	0	111.1	Q188 R189 E195 K370 I373	Q188-L191 HydrophobicContact CB-CD1 4.12Å; Q188-L191 HydrophobicContact CB-CG 4.36Å; Q188-L191 HydrophobicContact CG-CD1 4.47Å; Q188-L191 PolarHBondContact O-N 3.39Å; Q188-L191 VanDerWaalsContact O-N 3.16Å; R189-L191 VanDerWaalsContact C-N 3.28Å; R189-L191 PolarHBondContact O-N 3.05Å; L191-E195 PolarHBondContact O-N 2.6Å; L191-E195 VanDerWaalsContact O-N 3.12Å; L191-K370 HydrophobicContact CD1-CB 4.11Å; L191-K370 HydrophobicContact CD1-CD 3.9Å; L191-K370 HydrophobicContact CD1-CG 4.08Å; L191-I373 HydrophobicContact CB-CD1 4.19Å; L191-I373 WeakPolarHBondContact O-CD1 3.44Å
192	Y	98.5	Very high	97.5	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-44.9	175	-172.7	-84.4	0	0	0	111.5	R189 A194 E195 L196 F240 A283 P289 L292 G369 L372 I373	R189-Y192 PolarHBondContact O-N 3.08Å; Y192-A194 VanDerWaalsContact C-N 3.35Å; Y192-E195 PolarHBondContact O-N 3.06Å; Y192-L196 WeakPolarHBondContact O-CB 3.44Å; Y192-L196 PolarHBondContact O-N 3.14Å; Y192-F240 AromaticContact CD1-CE2 3.53Å; Y192-F240 HydrophobicContact CD1-CE2 3.53Å; Y192-F240 AromaticContact CD1-CZ 3.78Å; Y192-F240 HydrophobicContact CD1-CZ 3.78Å; Y192-F240 HydrophobicContact CE1-CE2 4.11Å; Y192-F240 AromaticContact CE1-CZ 3.88Å; Y192-F240 HydrophobicContact CE1-CZ 3.88Å; Y192-F240 HydrophobicContact CG-CE2 4.29Å; Y192-A283 HydrophobicContact CE1-CB 4.08Å; Y192-A283 HydrophobicContact CE2-CB 4.39Å; Y192-P289 HydrophobicContact CD2-CG 4.03Å; Y192-P289 HydrophobicContact CE1-CB 4.49Å; Y192-P289 HydrophobicContact CE1-CG 4.45Å; Y192-P289 HydrophobicContact CE2-CB 4.42Å; Y192-P289 HydrophobicContact CE2-CG 3.62Å; Y192-L292 HydrophobicContact CE1-CD2 3.89Å; Y192-L292 WeakPolarHBondContact OH-CD2 3.42Å; Y192-G369 WeakPolarHBondContact CB-O 3.42Å; Y192-G369 WeakPolarHBondContact CD2-O 3.5Å; Y192-L372 HydrophobicContact CD2-CB 3.53Å; Y192-L372 HydrophobicContact CD2-CD1 4.39Å; Y192-L372 HydrophobicContact CE2-CB 3.45Å; Y192-L372 VanDerWaalsContact CE2-CB 3.45Å; Y192-L372 HydrophobicContact CE2-CD1 4.28Å; Y192-I373 HydrophobicContact CD2-CG1 4.12Å
193	V	98.3	Very high	97.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-39	179.5	-179.2	0	0	0	0	111.1	W178 R189 E190 E195 L196 Q197 I238 F240	W178-V193 HydrophobicContact CD2-CG1 4.12Å; W178-V193 HydrophobicContact CD2-CG2 4.22Å; W178-V193 HydrophobicContact CE3-CB 4.08Å; W178-V193 HydrophobicContact CE3-CG1 3.49Å; W178-V193 VanDerWaalsContact CE3-CG1 3.49Å; W178-V193 HydrophobicContact CE3-CG2 4.23Å; W178-V193 HydrophobicContact CH2-CB 4.1Å; W178-V193 HydrophobicContact CH2-CG1 4.4Å; W178-V193 HydrophobicContact CH2-CG2 4.13Å; W178-V193 HydrophobicContact CZ2-CG2 4.11Å; W178-V193 HydrophobicContact CZ3-CB 3.82Å; W178-V193 HydrophobicContact CZ3-CG1 3.65Å; W178-V193 HydrophobicContact CZ3-CG2 4.18Å; R189-V193 WeakPolarHBondContact O-CG2 3.25Å; R189-V193 PolarHBondContact O-N 2.97Å; E190-V193 PolarHBondContact O-N 3.32Å; V193-E195 VanDerWaalsContact C-N 3.3Å; V193-E195 PolarHBondContact O-N 3.18Å; V193-L196 WeakPolarHBondContact O-CB 3.3Å; V193-L196 PolarHBondContact O-N 2.84Å; V193-Q197 HydrophobicContact CG1-CG 4.33Å; V193-Q197 WeakPolarHBondContact O-CB 3.33Å; V193-Q197 WeakPolarHBondContact O-CG 2.85Å; V193-Q197 PolarHBondContact O-N 3.21Å; V193-I238 HydrophobicContact CG1-CD1 4.16Å; V193-I238 HydrophobicContact CG2-CD1 4.12Å; V193-I238 HydrophobicContact CG2-CG2 4.21Å; V193-F240 HydrophobicContact CG2-CD2 3.73Å; V193-F240 HydrophobicContact CG2-CE2 3.68Å
194	A	97.8	Very high	97.8	Very high	50 Å²	50	49.7 Å²	49.7	41%	0.413	24%	0.236	S	C	.	.	H	α-helix	trans	-59.9	-39.5	174.5	0	0	0	0	0	112.3	E190 Y192	E190-A194 WeakPolarHBondContact O-CB 3.08Å; E190-A194 PolarHBondContact O-N 3.46Å; Y192-A194 VanDerWaalsContact C-N 3.35Å
195	E	98.3	Very high	97.7	Very high	36 Å²	36	42 Å²	42	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-69.5	-41.9	173.7	-173.4	63.7	-152	0	0	112	L191 Y192 V193 Q197 K198 Y199 P289 I373	L191-E195 PolarHBondContact O-N 2.6Å; L191-E195 VanDerWaalsContact O-N 3.12Å; Y192-E195 PolarHBondContact O-N 3.06Å; V193-E195 VanDerWaalsContact C-N 3.3Å; V193-E195 PolarHBondContact O-N 3.18Å; E195-Q197 VanDerWaalsContact C-N 3.26Å; E195-Q197 PolarHBondContact O-N 3.08Å; E195-K198 WeakPolarHBondContact O-CB 3.29Å; E195-K198 PolarHBondContact O-N 2.71Å; E195-K198 IonicContact OE1-NZ 3.64Å; E195-K198 VanDerWaalsContact OE2-CE 3.3Å; E195-K198 WeakPolarHBondContact OE2-CE 3.32Å; E195-K198 IonicContact OE2-NZ 2.66Å; E195-K198 PolarHBondContact OE2-NZ 3.18Å; E195-Y199 HydrophobicContact CG-CE2 4.25Å; E195-Y199 WeakPolarHBondContact O-CD2 3.42Å; E195-Y199 WeakPolarHBondContact O-CE2 3.09Å; E195-Y199 WeakPolarHBondContact OE1-CE2 3.38Å; E195-Y199 PolarHBondContact OE1-OH 3.35Å; E195-P289 HydrophobicContact CB-CB 4.45Å; E195-P289 HydrophobicContact CB-CG 4.1Å; E195-P289 HydrophobicContact CG-CB 4.09Å; E195-P289 HydrophobicContact CG-CG 3.74Å; E195-I373 HydrophobicContact CB-CD1 4.21Å; E195-I373 HydrophobicContact CB-CG1 4.18Å; E195-I373 HydrophobicContact CB-CG2 4.35Å; E195-I373 HydrophobicContact CG-CG1 4.49Å; E195-I373 HydrophobicContact CG-CG2 3.83Å
196	L	98.5	Very high	97.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.6	-38.6	176.2	-179.1	63.2	0	0	0	111.9	Y192 V193 K198 Y199 L200 I238 P289 L292 A293	Y192-L196 WeakPolarHBondContact O-CB 3.44Å; Y192-L196 PolarHBondContact O-N 3.14Å; V193-L196 WeakPolarHBondContact O-CB 3.3Å; V193-L196 PolarHBondContact O-N 2.84Å; L196-K198 PolarHBondContact O-N 3.42Å; L196-K198 VanDerWaalsContact O-N 3.13Å; L196-Y199 PolarHBondContact O-N 2.85Å; L196-L200 PolarHBondContact O-N 2.58Å; L196-L200 VanDerWaalsContact O-N 3.08Å; L196-I238 HydrophobicContact CD2-CD1 4.06Å; L196-P289 HydrophobicContact CB-CB 4.15Å; L196-P289 HydrophobicContact CD1-CB 4.26Å; L196-P289 WeakPolarHBondContact CD1-O 3.38Å; L196-L292 HydrophobicContact CD1-CD2 4.31Å; L196-L292 HydrophobicContact CD1-CG 4.39Å; L196-L292 HydrophobicContact CD2-CD2 4.3Å; L196-A293 HydrophobicContact CD1-CB 3.98Å
197	Q	98.1	Very high	97	Very high	85 Å²	85	48 Å²	48	40%	0.397	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.2	179.9	-80.5	176.4	-49.6	0	0	114.2	V193 E195 Y199 L200 V202	V193-Q197 HydrophobicContact CG1-CG 4.33Å; V193-Q197 WeakPolarHBondContact O-CB 3.33Å; V193-Q197 WeakPolarHBondContact O-CG 2.85Å; V193-Q197 PolarHBondContact O-N 3.21Å; E195-Q197 VanDerWaalsContact C-N 3.26Å; E195-Q197 PolarHBondContact O-N 3.08Å; Q197-Y199 VanDerWaalsContact C-N 3.25Å; Q197-Y199 PolarHBondContact O-N 3.07Å; Q197-L200 WeakPolarHBondContact CA-O 3.23Å; Q197-V202 HydrophobicContact CG-CB 3.9Å; Q197-V202 HydrophobicContact CG-CG2 3.99Å
198	K	98.4	Very high	96.7	Very high	144 Å²	144	50 Å²	50	63%	0.626	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-22.6	172.7	-61.2	178.3	-178.3	171.4	0	113.1	E195 L196	E195-K198 WeakPolarHBondContact O-CB 3.29Å; E195-K198 PolarHBondContact O-N 2.71Å; E195-K198 IonicContact OE1-NZ 3.64Å; E195-K198 VanDerWaalsContact OE2-CE 3.3Å; E195-K198 WeakPolarHBondContact OE2-CE 3.32Å; E195-K198 IonicContact OE2-NZ 2.66Å; E195-K198 PolarHBondContact OE2-NZ 3.18Å; L196-K198 PolarHBondContact O-N 3.42Å; L196-K198 VanDerWaalsContact O-N 3.13Å
199	Y	98.3	Very high	96.2	Very high	95 Å²	95	47.8 Å²	47.8	37%	0.373	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-16	-174.2	-47.9	-70.7	0	0	0	113.1	E195 L196 Q197 K290	E195-Y199 HydrophobicContact CG-CE2 4.25Å; E195-Y199 WeakPolarHBondContact O-CD2 3.42Å; E195-Y199 WeakPolarHBondContact O-CE2 3.09Å; E195-Y199 WeakPolarHBondContact OE1-CE2 3.38Å; E195-Y199 PolarHBondContact OE1-OH 3.35Å; L196-Y199 PolarHBondContact O-N 2.85Å; Q197-Y199 VanDerWaalsContact C-N 3.25Å; Q197-Y199 PolarHBondContact O-N 3.07Å; Y199-K290 HydrophobicContact CD1-CB 4.01Å; Y199-K290 HydrophobicContact CD1-CD 3.92Å; Y199-K290 HydrophobicContact CD1-CG 3.69Å; Y199-K290 HydrophobicContact CD2-CB 3.83Å; Y199-K290 HydrophobicContact CD2-CG 4.39Å; Y199-K290 HydrophobicContact CE1-CB 4.06Å; Y199-K290 HydrophobicContact CE1-CD 3.73Å; Y199-K290 HydrophobicContact CE1-CG 3.94Å; Y199-K290 HydrophobicContact CE2-CB 3.9Å; Y199-K290 HydrophobicContact CG-CB 3.89Å; Y199-K290 HydrophobicContact CG-CG 3.93Å
200	L	97.6	Very high	95.6	Very high	8 Å²	8	54.1 Å²	54.1	4%	0.042	27%	0.272	C	S	.	.	S	Bend	trans	-148.4	131.9	-175.1	-178.3	65.4	0	0	0	110.8	K175 V176 L196 Q197 V202 A293 I296	K175-L200 HydrophobicContact CD-CD1 3.87Å; V176-L200 HydrophobicContact CG2-CD2 3.54Å; V176-L200 HydrophobicContact CG2-CG 4.25Å; L196-L200 PolarHBondContact O-N 2.58Å; L196-L200 VanDerWaalsContact O-N 3.08Å; Q197-L200 WeakPolarHBondContact CA-O 3.23Å; L200-V202 PolarHBondContact O-N 3.22Å; L200-A293 HydrophobicContact CB-CB 3.87Å; L200-I296 HydrophobicContact CD1-CG2 4.4Å; L200-I296 HydrophobicContact CD2-CB 4.02Å; L200-I296 HydrophobicContact CD2-CD1 3.52Å; L200-I296 HydrophobicContact CD2-CG1 4.38Å; L200-I296 HydrophobicContact CD2-CG2 3.81Å
201	H	97.9	Very high	95.1	Very high	142 Å²	142	54.3 Å²	54.3	66%	0.657	28%	0.277	S	S	*	.			trans	-68.2	123.6	173.5	-174.9	74.7	0	0	0	111.2	D203	H201-D203 IonicContact NE2-OD1 2.65Å; H201-D203 PolarHBondContact NE2-OD1 3.11Å
202	V	98.1	Very high	94.4	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	113	178.3	-179.9	0	0	0	0	109.3	V176 W178 Q197 L200 T204 I238	V176-V202 HydrophobicContact CB-CG1 4.5Å; V176-V202 HydrophobicContact CB-CG2 4.23Å; V176-V202 HydrophobicContact CG1-CG1 4.09Å; V176-V202 HydrophobicContact CG1-CG2 4.19Å; W178-V202 HydrophobicContact CB-CG1 3.85Å; Q197-V202 HydrophobicContact CG-CB 3.9Å; Q197-V202 HydrophobicContact CG-CG2 3.99Å; L200-V202 PolarHBondContact O-N 3.22Å; V202-T204 PolarHBondContact O-N 3.47Å; V202-T204 PolarHBondContact O-OG1 2.93Å; V202-I238 HydrophobicContact CG1-CD1 3.97Å; V202-I238 HydrophobicContact CG2-CD1 4.38Å
203	D	97	Very high	93.6	Very high	30 Å²	30	58.7 Å²	58.7	16%	0.16	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	119.7	173	-80.2	-52.5	0	0	0	109.3	K174 V176 V177 W178 H201 Y205 Y234	K174-D203 WeakPolarHBondContact CD-OD2 3.23Å; K174-D203 IonicContact NZ-OD1 3.22Å; K174-D203 IonicContact NZ-OD2 3.36Å; K174-D203 PolarHBondContact NZ-OD2 2.91Å; V176-D203 PolarHBondContact O-N 2.62Å; V176-D203 VanDerWaalsContact O-N 3.08Å; V177-D203 CarbonylContact C-O 3.55Å; V177-D203 WeakPolarHBondContact CA-O 3.28Å; W178-D203 PolarHBondContact N-O 3.15Å; H201-D203 IonicContact NE2-OD1 2.65Å; H201-D203 PolarHBondContact NE2-OD1 3.11Å; D203-Y205 HydrophobicContact CB-CE2 4.08Å; D203-Y234 HydrophobicContact CB-CE1 3.67Å; D203-Y234 VanDerWaalsContact CB-OH 3.23Å; D203-Y234 WeakPolarHBondContact CB-OH 3.5Å; D203-Y234 VanDerWaalsContact CG-OH 3.23Å; D203-Y234 WeakPolarHBondContact OD2-CE1 3.08Å; D203-Y234 PolarHBondContact OD2-OH 3.48Å
204	T	95.9	Very high	92.3	Very high	15 Å²	15	63 Å²	63	9%	0.092	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.1	-175.4	-52.7	0	0	0	0	111.1	W178 V180 V202 S211	W178-T204 HydrophobicContact CD2-CG2 4.42Å; W178-T204 HydrophobicContact CE3-CG2 3.71Å; W178-T204 HydrophobicContact CZ3-CG2 4.31Å; W178-T204 CarbonylContact O-C 3.53Å; W178-T204 WeakPolarHBondContact O-CA 3.29Å; V180-T204 HydrophobicContact CG1-CG2 3.6Å; V202-T204 PolarHBondContact O-N 3.47Å; V202-T204 PolarHBondContact O-OG1 2.93Å; T204-S211 PolarHBondContact O-N 3.37Å
205	Y	93.6	Very high	90.5	Very high	35 Å²	35	69 Å²	69	14%	0.137	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	151.4	178.1	-71.7	-104.8	0	0	0	111.4	V177 W178 V179 V180 D203 S211 C213 F230 Y234	V177-Y205 HydrophobicContact CG2-CD2 3.69Å; V177-Y205 HydrophobicContact CG2-CE2 3.98Å; W178-Y205 PolarHBondContact O-N 2.98Å; V179-Y205 CarbonylContact C-O 3.54Å; V179-Y205 WeakPolarHBondContact CA-O 3.27Å; V180-Y205 PolarHBondContact N-O 2.97Å; D203-Y205 HydrophobicContact CB-CE2 4.08Å; Y205-S211 CarbonylContact C-O 3.47Å; Y205-S211 VanDerWaalsContact CA-O 3.28Å; Y205-S211 WeakPolarHBondContact CA-O 3.38Å; Y205-C213 HydrophobicContact CD1-CB 4.32Å; Y205-F230 HydrophobicContact CD1-CE1 4.01Å; Y205-F230 HydrophobicContact CD1-CZ 4.03Å; Y205-F230 AromaticContact CD2-CE1 3.66Å; Y205-F230 HydrophobicContact CD2-CE1 3.66Å; Y205-F230 HydrophobicContact CD2-CZ 4.05Å; Y205-F230 HydrophobicContact CE1-CE1 4.06Å; Y205-F230 HydrophobicContact CE1-CZ 4.49Å; Y205-F230 AromaticContact CE2-CE1 3.71Å; Y205-F230 HydrophobicContact CE2-CE1 3.71Å; Y205-F230 AromaticContact CG-CE1 3.81Å; Y205-F230 HydrophobicContact CG-CE1 3.81Å; Y205-F230 AromaticContact CG-CZ 3.79Å; Y205-F230 HydrophobicContact CG-CZ 3.79Å; Y205-F230 AromaticContact CZ-CE1 3.91Å; Y205-Y234 WeakPolarHBondContact CE2-OH 3.48Å; Y205-Y234 PolarHBondContact OH-OH 2.7Å
206	G	90.6	Very high	88.6	Confident	4 Å²	4	70.6 Å²	70.6	4%	0.041	35%	0.35	C	S	.	.	S	Bend	trans	109.2	-164.8	176.2	0	0	0	0	0	112.4	V180 C208 G209 S211	V180-G206 CarbonylContact O-C 3.56Å; V180-G206 WeakPolarHBondContact O-CA 3.39Å; G206-C208 VanDerWaalsContact C-N 3.29Å; G206-C208 PolarHBondContact O-N 3.12Å; G206-G209 PolarHBondContact O-N 3.25Å; G206-S211 PolarHBondContact N-O 3.28Å
207	Y	90.5	Very high	86.2	Confident	176 Å²	176	75.9 Å²	75.9	69%	0.69	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.6	-174.9	-179.6	-102.4	0	0	0	112.9	V180 S181	V180-Y207 PolarHBondContact O-N 2.94Å; V180-Y207 VanDerWaalsContact O-N 3.14Å; S181-Y207 PolarHBondContact OG-N 3.18Å
208	C	91.7	Very high	84	Confident	44 Å²	44	76.7 Å²	76.7	30%	0.297	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.8	-178.2	-42.7	0	0	0	0	113.6	V180 S181 C183 G206	V180-C208 HydrophobicContact CG1-CB 4Å; V180-C208 HydrophobicContact CG2-CB 4.17Å; V180-C208 PolarHBondContact O-N 3.45Å; S181-C208 VanDerWaalsContact C-SG 3.59Å; C183-C208 WeakPolarHBondContact CA-SG 3.24Å; C183-C208 HydrophobicContact CB-CB 3.89Å; C183-C208 WeakPolarHBondContact CB-SG 3.37Å; C183-C208 PolarHBondContact N-SG 2.87Å; C183-C208 VanDerWaalsContact SG-CA 3.56Å; C183-C208 WeakPolarHBondContact SG-CB 3.34Å; C183-C208 CovalentContact SG-SG 2.03Å; C183-C208 PolarHBondContact SG-SG 3.49Å; G206-C208 VanDerWaalsContact C-N 3.29Å; G206-C208 PolarHBondContact O-N 3.12Å
209	G	86.4	Confident	81.7	Confident	17 Å²	17	72.5 Å²	72.5	18%	0.175	39%	0.392	C	S	.	.	S	Bend	trans	-108	173.6	-178.8	0	0	0	0	0	113	G206	G206-G209 PolarHBondContact O-N 3.25Å
210	T	85.7	Confident	79.6	Confident	136 Å²	136	68.5 Å²	68.5	83%	0.834	38%	0.38	S	S	*	.	S	Bend	trans	-77.3	-31.4	174.7	53.8	0	0	0	0	112
211	S	88	Confident	77.6	Confident	42 Å²	42	70.6 Å²	70.6	29%	0.294	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-93.3	130	-178.4	-64.3	0	0	0	0	111.1	T204 Y205 G206	T204-S211 PolarHBondContact O-N 3.37Å; Y205-S211 CarbonylContact C-O 3.47Å; Y205-S211 VanDerWaalsContact CA-O 3.28Å; Y205-S211 WeakPolarHBondContact CA-O 3.38Å; G206-S211 PolarHBondContact N-O 3.28Å
212	K	83.6	Confident	75.7	Confident	146 Å²	146	69 Å²	69	64%	0.635	38%	0.382	S	S	*	.			trans	-78.6	140.6	175.3	-59.5	-57.1	-180	-169.2	0	110.2
213	C	81.6	Confident	74.1	Confident	21 Å²	21	76 Å²	76	14%	0.142	42%	0.415	C	S	.	.			trans	-127.5	102.2	163.1	-176.5	0	0	0	0	107.8	Y205 K215 C226	Y205-C213 HydrophobicContact CD1-CB 4.32Å; C213-K215 PolarHBondContact O-N 3.15Å; C213-C226 WeakPolarHBondContact CA-SG 3.45Å; C213-C226 HydrophobicContact CB-CB 4.15Å; C213-C226 WeakPolarHBondContact CB-SG 3.22Å; C213-C226 WeakPolarHBondContact SG-CB 3.27Å; C213-C226 CovalentContact SG-SG 2.04Å; C213-C226 PolarHBondContact SG-SG 2.68Å
214	P	70	Confident	73.1	Confident	91 Å²	91	74.7 Å²	74.7	59%	0.591	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-58.5	131.8	179.4	-22.6	33.2	0	0	0	110.4	I216	P214-I216 PolarHBondContact O-N 2.99Å
215	K	61.2	Low	72.6	Confident	174 Å²	174	78.7 Å²	78.7	76%	0.757	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-65.8	121.3	166.3	-73.2	-171.5	177.1	-173.9	0	107.4	C213	C213-K215 PolarHBondContact O-N 3.15Å
216	I	57.4	Low	72.4	Confident	71 Å²	71	77.4 Å²	77.4	36%	0.364	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-82.1	143.7	167	-53	-169.5	0	0	0	107.5	P214 I218	P214-I216 PolarHBondContact O-N 2.99Å; I216-I218 HydrophobicContact CG2-CD1 4.42Å; I216-I218 HydrophobicContact CG2-CG1 4.41Å; I216-I218 PolarHBondContact O-N 3.41Å
217	A	48.6	Very low	72.3	Confident	111 Å²	111	77.8 Å²	77.8	92%	0.917	43%	0.429	S	S	*	.	S	Bend	trans	-62.3	-7.1	-178.8	0	0	0	0	0	114.7
218	I	51.8	Low	72.3	Confident	101 Å²	101	75.2 Å²	75.2	52%	0.518	42%	0.423	S	S	.	.	S	Bend	trans	-88.6	122.3	-179.7	-59.4	163.8	0	0	0	109.8	I216 G220 M221	I216-I218 HydrophobicContact CG2-CD1 4.42Å; I216-I218 HydrophobicContact CG2-CG1 4.41Å; I216-I218 PolarHBondContact O-N 3.41Å; I218-G220 PolarHBondContact O-N 3.26Å; I218-M221 PolarHBondContact O-N 2.84Å
219	A	50	Low	72.3	Confident	56 Å²	56	75.7 Å²	75.7	46%	0.463	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	123.2	170.4	0	0	0	0	0	110.2	P322	A219-P322 HydrophobicContact CB-CG 4.13Å
220	G	53.7	Low	72.7	Confident	12 Å²	12	74.9 Å²	74.9	12%	0.124	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	108.1	-16.8	178.9	0	0	0	0	0	115.6	I218 Q222	I218-G220 PolarHBondContact O-N 3.26Å; G220-Q222 WeakPolarHBondContact O-CG 3.39Å; G220-Q222 PolarHBondContact O-N 2.85Å
221	M	56.5	Low	73.1	Confident	52 Å²	52	73.9 Å²	73.9	26%	0.256	40%	0.401	S	S	.	.			trans	50.3	4.1	177.9	-68.5	-167.7	-68.3	0	0	116.6	I218 Q223 S224 E227	I218-M221 PolarHBondContact O-N 2.84Å; M221-Q223 PolarHBondContact O-N 3.35Å; M221-S224 WeakPolarHBondContact O-CB 3.11Å; M221-S224 PolarHBondContact O-N 2.64Å; M221-S224 PolarHBondContact O-OG 3.4Å; M221-E227 HydrophobicContact CB-CG 4.26Å; M221-E227 WeakPolarHBondContact O-CG 3.4Å
222	Q	58	Low	73.4	Confident	107 Å²	107	79 Å²	79	50%	0.5	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.5	-168.1	-67.3	-169.4	-31.1	0	0	113.1	G220	G220-Q222 WeakPolarHBondContact O-CG 3.39Å; G220-Q222 PolarHBondContact O-N 2.85Å
223	Q	63.6	Low	73.9	Confident	156 Å²	156	74.2 Å²	74.2	73%	0.729	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	14.6	177.7	-63.9	178.3	0.5	0	0	112.9	M221	M221-Q223 PolarHBondContact O-N 3.35Å
224	S	76.6	Confident	74.7	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.007	39%	0.392	C	S	.	.	S	Bend	trans	-79.5	144.9	174.7	73.4	0	0	0	0	112.1	M221 C226 E227 E228	M221-S224 WeakPolarHBondContact O-CB 3.11Å; M221-S224 PolarHBondContact O-N 2.64Å; M221-S224 PolarHBondContact O-OG 3.4Å; S224-C226 PolarHBondContact O-N 3.28Å; S224-C226 VanDerWaalsContact O-N 3.13Å; S224-E227 PolarHBondContact O-N 2.63Å; S224-E227 WeakPolarHBondContact OG-CG 3.14Å; S224-E227 PolarHBondContact OG-N 3.36Å; S224-E227 VanDerWaalsContact OG-N 3.17Å; S224-E228 PolarHBondContact O-N 3.21Å; S224-E228 VanDerWaalsContact O-N 3.09Å
225	T	84.7	Confident	76	Confident	99 Å²	99	69.5 Å²	69.5	61%	0.607	37%	0.367	S	S	*	.	H	α-helix	trans	-54.6	-30.7	172.9	53.6	0	0	0	0	112	T229	T225-T229 WeakPolarHBondContact O-CB 3.44Å; T225-T229 PolarHBondContact O-N 2.85Å; T225-T229 PolarHBondContact O-OG1 2.97Å
226	C	90	Very high	77.8	Confident	9 Å²	9	61.2 Å²	61.2	6%	0.061	33%	0.331	C	S	.	.	H	α-helix	trans	-65	-51.4	171.5	-58.6	0	0	0	0	112.7	C213 S224 E228 T229 F230	C213-C226 WeakPolarHBondContact CA-SG 3.45Å; C213-C226 HydrophobicContact CB-CB 4.15Å; C213-C226 WeakPolarHBondContact CB-SG 3.22Å; C213-C226 WeakPolarHBondContact SG-CB 3.27Å; C213-C226 CovalentContact SG-SG 2.04Å; C213-C226 PolarHBondContact SG-SG 2.68Å; S224-C226 PolarHBondContact O-N 3.28Å; S224-C226 VanDerWaalsContact O-N 3.13Å; C226-E228 VanDerWaalsContact C-N 3.3Å; C226-E228 PolarHBondContact O-N 3.05Å; C226-T229 CarbonylContact O-C 3.58Å; C226-T229 WeakPolarHBondContact O-CA 3.2Å; C226-T229 VanDerWaalsContact O-CB 3.29Å; C226-T229 WeakPolarHBondContact O-CB 3.44Å; C226-T229 PolarHBondContact O-N 3.35Å; C226-F230 HydrophobicContact CB-CD2 4.42Å; C226-F230 HydrophobicContact CB-CE1 4.4Å; C226-F230 HydrophobicContact CB-CE2 3.67Å; C226-F230 HydrophobicContact CB-CZ 3.66Å; C226-F230 WeakPolarHBondContact O-CD1 3.36Å; C226-F230 VanDerWaalsContact O-CD2 3.25Å; C226-F230 WeakPolarHBondContact O-CD2 2.98Å; C226-F230 WeakPolarHBondContact O-CG 3.34Å; C226-F230 PolarHBondContact O-N 3.03Å
227	E	89.2	Confident	79.7	Confident	12 Å²	12	58.2 Å²	58.2	6%	0.056	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-38.8	-177.6	-72.2	-47.2	134.5	0	0	111.6	M221 S224 T229 F230 K231 R256	M221-E227 HydrophobicContact CB-CG 4.26Å; M221-E227 WeakPolarHBondContact O-CG 3.4Å; S224-E227 PolarHBondContact O-N 2.63Å; S224-E227 WeakPolarHBondContact OG-CG 3.14Å; S224-E227 PolarHBondContact OG-N 3.36Å; S224-E227 VanDerWaalsContact OG-N 3.17Å; E227-T229 VanDerWaalsContact C-N 3.34Å; E227-F230 PolarHBondContact O-N 3.24Å; E227-K231 VanDerWaalsContact O-CB 3.3Å; E227-K231 WeakPolarHBondContact O-CB 3.43Å; E227-K231 PolarHBondContact O-N 2.89Å; E227-R256 VanDerWaalsContact CD-NE 3.28Å; E227-R256 IonicContact OE1-CZ 2.65Å; E227-R256 IonicContact OE1-NE 3.88Å; E227-R256 PolarHBondContact OE1-NE 3.48Å; E227-R256 IonicContact OE1-NH2 3.77Å; E227-R256 PolarHBondContact OE1-NH2 3.03Å; E227-R256 WeakPolarHBondContact OE2-CD 3.39Å; E227-R256 WeakPolarHBondContact OE2-CG 3.49Å; E227-R256 IonicContact OE2-CZ 3.27Å; E227-R256 IonicContact OE2-NE 2.8Å; E227-R256 PolarHBondContact OE2-NE 3.16Å; E227-R256 IonicContact OE2-NH2 3.08Å
228	E	90.4	Very high	82.1	Confident	121 Å²	121	53 Å²	53	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-61.4	-43.8	171.7	-67.5	-176.8	170.1	0	0	111.6	S224 C226 F230 K231 K232	S224-E228 PolarHBondContact O-N 3.21Å; S224-E228 VanDerWaalsContact O-N 3.09Å; C226-E228 VanDerWaalsContact C-N 3.3Å; C226-E228 PolarHBondContact O-N 3.05Å; E228-F230 VanDerWaalsContact C-N 3.33Å; E228-F230 PolarHBondContact O-N 2.88Å; E228-K231 PolarHBondContact O-N 3.1Å; E228-K232 VanDerWaalsContact O-CB 3.23Å; E228-K232 WeakPolarHBondContact O-CB 3.26Å; E228-K232 PolarHBondContact O-N 3.17Å
229	T	92.4	Very high	84.3	Confident	54 Å²	54	48.1 Å²	48.1	33%	0.331	25%	0.247	S	C	.	.	H	α-helix	trans	-60.3	-42.8	174.6	-63	0	0	0	0	111.2	T225 C226 E227 K232 N233	T225-T229 WeakPolarHBondContact O-CB 3.44Å; T225-T229 PolarHBondContact O-N 2.85Å; T225-T229 PolarHBondContact O-OG1 2.97Å; C226-T229 CarbonylContact O-C 3.58Å; C226-T229 WeakPolarHBondContact O-CA 3.2Å; C226-T229 VanDerWaalsContact O-CB 3.29Å; C226-T229 WeakPolarHBondContact O-CB 3.44Å; C226-T229 PolarHBondContact O-N 3.35Å; E227-T229 VanDerWaalsContact C-N 3.34Å; T229-K232 PolarHBondContact O-N 3.16Å; T229-N233 WeakPolarHBondContact O-CB 3.43Å; T229-N233 PolarHBondContact O-N 3.46Å; T229-N233 PolarHBondContact O-ND2 2.97Å
230	F	93.9	Very high	86.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-51.9	179.8	-56.1	-27.7	0	0	0	111	V177 V179 Y205 C226 E227 E228 K232 N233 Y234 M261	V177-F230 HydrophobicContact CG1-CD1 4.43Å; V177-F230 HydrophobicContact CG1-CG 4.47Å; V177-F230 HydrophobicContact CG2-CD1 3.87Å; V177-F230 HydrophobicContact CG2-CE1 3.82Å; V177-F230 HydrophobicContact CG2-CZ 4.43Å; V179-F230 HydrophobicContact CG2-CD2 4.08Å; V179-F230 HydrophobicContact CG2-CE1 4.48Å; V179-F230 HydrophobicContact CG2-CE2 3.41Å; V179-F230 VanDerWaalsContact CG2-CE2 3.41Å; V179-F230 HydrophobicContact CG2-CZ 3.65Å; Y205-F230 HydrophobicContact CD1-CE1 4.01Å; Y205-F230 HydrophobicContact CD1-CZ 4.03Å; Y205-F230 AromaticContact CD2-CE1 3.66Å; Y205-F230 HydrophobicContact CD2-CE1 3.66Å; Y205-F230 HydrophobicContact CD2-CZ 4.05Å; Y205-F230 HydrophobicContact CE1-CE1 4.06Å; Y205-F230 HydrophobicContact CE1-CZ 4.49Å; Y205-F230 AromaticContact CE2-CE1 3.71Å; Y205-F230 HydrophobicContact CE2-CE1 3.71Å; Y205-F230 AromaticContact CG-CE1 3.81Å; Y205-F230 HydrophobicContact CG-CE1 3.81Å; Y205-F230 AromaticContact CG-CZ 3.79Å; Y205-F230 HydrophobicContact CG-CZ 3.79Å; Y205-F230 AromaticContact CZ-CE1 3.91Å; C226-F230 HydrophobicContact CB-CD2 4.42Å; C226-F230 HydrophobicContact CB-CE1 4.4Å; C226-F230 HydrophobicContact CB-CE2 3.67Å; C226-F230 HydrophobicContact CB-CZ 3.66Å; C226-F230 WeakPolarHBondContact O-CD1 3.36Å; C226-F230 VanDerWaalsContact O-CD2 3.25Å; C226-F230 WeakPolarHBondContact O-CD2 2.98Å; C226-F230 WeakPolarHBondContact O-CG 3.34Å; C226-F230 PolarHBondContact O-N 3.03Å; E227-F230 PolarHBondContact O-N 3.24Å; E228-F230 VanDerWaalsContact C-N 3.33Å; E228-F230 PolarHBondContact O-N 2.88Å; F230-K232 VanDerWaalsContact C-N 3.29Å; F230-K232 PolarHBondContact O-N 3.5Å; F230-N233 PolarHBondContact O-N 2.78Å; F230-Y234 HydrophobicContact CD1-CD2 4.23Å; F230-Y234 AromaticContact CD1-CE2 3.95Å; F230-Y234 HydrophobicContact CD1-CE2 3.95Å; F230-Y234 PolarHBondContact O-N 2.88Å; F230-M261 HydrophobicContact CB-CE 3.92Å; F230-M261 HydrophobicContact CB-SD 4Å
231	K	93.2	Very high	88.7	Confident	116 Å²	116	45 Å²	45	50%	0.504	22%	0.219	S	C	.	.	H	α-helix	trans	-56.3	-41.5	177	-178.7	174.7	179.9	-179.4	0	112.1	K172 E227 E228	K172-K231 PolarHBondContact NZ-O 3.45Å; E227-K231 VanDerWaalsContact O-CB 3.3Å; E227-K231 WeakPolarHBondContact O-CB 3.43Å; E227-K231 PolarHBondContact O-N 2.89Å; E228-K231 PolarHBondContact O-N 3.1Å
232	K	94.2	Very high	90.7	Very high	150 Å²	150	43.8 Å²	43.8	65%	0.652	21%	0.214	S	C	*	.	H	α-helix	trans	-74	-38.7	-178.7	-174.4	174.8	179.4	178.7	0	113.1	E228 T229 F230	E228-K232 VanDerWaalsContact O-CB 3.23Å; E228-K232 WeakPolarHBondContact O-CB 3.26Å; E228-K232 PolarHBondContact O-N 3.17Å; T229-K232 PolarHBondContact O-N 3.16Å; F230-K232 VanDerWaalsContact C-N 3.29Å; F230-K232 PolarHBondContact O-N 3.5Å
233	N	95.9	Very high	92.6	Very high	44 Å²	44	38.7 Å²	38.7	24%	0.235	19%	0.19	C	C	.	.	H	α-helix	trans	-106.8	-30.4	-163.6	-63.9	-70.3	0	0	0	115	K172 R173 K174 T229 F230	K172-N233 CarbonylContact C-O 3.55Å; R173-N233 PolarHBondContact N-O 2.8Å; K174-N233 WeakPolarHBondContact CA-O 3.31Å; K174-N233 WeakPolarHBondContact CB-O 3.4Å; K174-N233 HydrophobicContact CD-CB 4.23Å; K174-N233 HydrophobicContact CG-CB 4.35Å; K174-N233 PolarHBondContact N-O 2.97Å; T229-N233 WeakPolarHBondContact O-CB 3.43Å; T229-N233 PolarHBondContact O-N 3.46Å; T229-N233 PolarHBondContact O-ND2 2.97Å; F230-N233 PolarHBondContact O-N 2.78Å
234	Y	97.5	Very high	94.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	146.9	-167.8	-65	-94.5	0	0	0	113.1	K172 K174 V177 D203 Y205 F230 M261	K172-Y234 WeakPolarHBondContact CD-O 3.36Å; K172-Y234 PolarHBondContact NZ-O 3.06Å; K174-Y234 HydrophobicContact CB-CD1 3.49Å; K174-Y234 VanDerWaalsContact CB-CD1 3.49Å; K174-Y234 HydrophobicContact CB-CD2 4.48Å; K174-Y234 HydrophobicContact CB-CE1 3.58Å; K174-Y234 HydrophobicContact CB-CG 4.01Å; K174-Y234 HydrophobicContact CD-CD1 4.21Å; K174-Y234 HydrophobicContact CD-CD2 4.45Å; K174-Y234 HydrophobicContact CD-CE1 3.5Å; K174-Y234 HydrophobicContact CD-CE2 3.85Å; K174-Y234 WeakPolarHBondContact CD-OH 3.44Å; K174-Y234 HydrophobicContact CG-CE1 4.21Å; K174-Y234 PolarHBondContact NZ-OH 3.01Å; K174-Y234 VanDerWaalsContact NZ-OH 3.09Å; K174-Y234 WeakPolarHBondContact O-CA 3.31Å; V177-Y234 HydrophobicContact CB-CD1 3.53Å; V177-Y234 HydrophobicContact CB-CD2 4.1Å; V177-Y234 HydrophobicContact CB-CE1 3.63Å; V177-Y234 HydrophobicContact CB-CE2 4.16Å; V177-Y234 HydrophobicContact CB-CG 3.74Å; V177-Y234 HydrophobicContact CG1-CD1 4.07Å; V177-Y234 HydrophobicContact CG1-CD2 4.18Å; V177-Y234 HydrophobicContact CG1-CG 3.81Å; V177-Y234 HydrophobicContact CG2-CE1 4.26Å; V177-Y234 HydrophobicContact CG2-CE2 4.31Å; D203-Y234 HydrophobicContact CB-CE1 3.67Å; D203-Y234 VanDerWaalsContact CB-OH 3.23Å; D203-Y234 WeakPolarHBondContact CB-OH 3.5Å; D203-Y234 VanDerWaalsContact CG-OH 3.23Å; D203-Y234 WeakPolarHBondContact OD2-CE1 3.08Å; D203-Y234 PolarHBondContact OD2-OH 3.48Å; Y205-Y234 WeakPolarHBondContact CE2-OH 3.48Å; Y205-Y234 PolarHBondContact OH-OH 2.7Å; F230-Y234 HydrophobicContact CD1-CD2 4.23Å; F230-Y234 AromaticContact CD1-CE2 3.95Å; F230-Y234 HydrophobicContact CD1-CE2 3.95Å; F230-Y234 PolarHBondContact O-N 2.88Å; Y234-M261 WeakPolarHBondContact O-CG 2.98Å
235	K	97.7	Very high	95.3	Very high	14 Å²	14	31.5 Å²	31.5	6%	0.061	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-33.8	174.9	-70	-175.3	-176.9	175.6	0	113.2	K172 K174 K175 M261 V262 N300 Y306	K172-K235 HydrophobicContact CB-CG 3.69Å; K172-K235 HydrophobicContact CD-CG 4.32Å; K172-K235 VanDerWaalsContact O-CE 3.25Å; K172-K235 WeakPolarHBondContact O-CE 3.23Å; K174-K235 PolarHBondContact O-N 3.28Å; K175-K235 PolarHBondContact O-N 2.92Å; K235-M261 CarbonylContact O-C 3.59Å; K235-M261 VanDerWaalsContact O-CA 3.3Å; K235-M261 WeakPolarHBondContact O-CA 3.38Å; K235-V262 PolarHBondContact O-N 3.26Å; K235-N300 WeakPolarHBondContact CD-OD1 3.27Å; K235-N300 WeakPolarHBondContact CE-OD1 3.13Å; K235-N300 PolarHBondContact NZ-O 3.12Å; K235-N300 PolarHBondContact NZ-OD1 2.77Å; K235-Y306 VanDerWaalsContact CA-OH 3.25Å; K235-Y306 WeakPolarHBondContact CA-OH 3.42Å; K235-Y306 HydrophobicContact CB-CE2 3.7Å; K235-Y306 HydrophobicContact CD-CE2 4.49Å; K235-Y306 HydrophobicContact CG-CE1 4.31Å; K235-Y306 HydrophobicContact CG-CE2 4.25Å; K235-Y306 WeakPolarHBondContact O-CE2 2.83Å; K235-Y306 PolarHBondContact O-OH 3.45Å
236	F	98.3	Very high	95.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.4	-174.7	-51.8	-86.7	0	0	0	110.7	K175 V176 V177 V262 I264 I281 I296 L299 N300 Y306	K175-F236 WeakPolarHBondContact O-CD2 3.16Å; K175-F236 PolarHBondContact O-N 2.77Å; V176-F236 WeakPolarHBondContact CA-O 3.35Å; V176-F236 HydrophobicContact CG2-CB 4.07Å; V176-F236 HydrophobicContact CG2-CD2 4.41Å; V177-F236 PolarHBondContact N-O 3.21Å; F236-V262 WeakPolarHBondContact CA-O 3.3Å; F236-V262 HydrophobicContact CD1-CB 3.84Å; F236-V262 HydrophobicContact CD1-CG1 4.41Å; F236-V262 HydrophobicContact CE1-CB 4.2Å; F236-V262 HydrophobicContact CE1-CG2 4.48Å; F236-I264 HydrophobicContact CB-CD1 3.93Å; F236-I281 HydrophobicContact CD1-CD1 4.06Å; F236-I281 HydrophobicContact CE1-CD1 4.01Å; F236-I296 HydrophobicContact CD2-CG2 3.71Å; F236-I296 HydrophobicContact CE2-CG2 3.71Å; F236-I296 HydrophobicContact CG-CG2 4.23Å; F236-I296 HydrophobicContact CZ-CG2 4.21Å; F236-L299 HydrophobicContact CE1-CB 4.08Å; F236-L299 HydrophobicContact CE1-CD1 3.86Å; F236-L299 HydrophobicContact CZ-CB 3.65Å; F236-L299 HydrophobicContact CZ-CD1 4.3Å; F236-N300 HydrophobicContact CE2-CB 4.42Å; F236-Y306 AromaticContact CE1-CD2 3.94Å; F236-Y306 HydrophobicContact CE1-CD2 3.94Å; F236-Y306 AromaticContact CE1-CE2 3.96Å; F236-Y306 HydrophobicContact CE1-CE2 3.96Å; F236-Y306 HydrophobicContact CE2-CE2 4.46Å; F236-Y306 AromaticContact CZ-CD2 3.76Å; F236-Y306 HydrophobicContact CZ-CD2 3.76Å; F236-Y306 AromaticContact CZ-CE2 3.92Å; F236-Y306 HydrophobicContact CZ-CE2 3.92Å
237	Y	97.8	Very high	96.2	Very high	7 Å²	7	29.7 Å²	29.7	3%	0.027	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.1	178.1	169.5	-117.9	0	0	0	110.4	V177 V179 A239 K252 R256 V262 P263 I264	V177-Y237 HydrophobicContact CG1-CD2 3.93Å; V177-Y237 WeakPolarHBondContact O-CA 3.32Å; V177-Y237 WeakPolarHBondContact O-CD2 3.49Å; V179-Y237 HydrophobicContact CB-CE2 4.18Å; V179-Y237 HydrophobicContact CG2-CE2 3.97Å; Y237-A239 HydrophobicContact CD1-CB 3.93Å; Y237-A239 HydrophobicContact CE1-CB 3.68Å; Y237-A239 PolarHBondContact O-N 2.77Å; Y237-K252 VanDerWaalsContact CE1-O 3.28Å; Y237-K252 WeakPolarHBondContact CE1-O 3.27Å; Y237-R256 HydrophobicContact CD1-CB 4.43Å; Y237-R256 PolarHBondContact OH-NH1 3.03Å; Y237-R256 VanDerWaalsContact OH-NH1 3.14Å; Y237-V262 PolarHBondContact N-O 3.34Å; Y237-P263 CarbonylContact O-C 3.58Å; Y237-P263 WeakPolarHBondContact O-CA 3.12Å; Y237-I264 PolarHBondContact O-N 3.36Å
238	I	98.5	Very high	96.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	110.6	173.8	-61.2	-179.9	0	0	0	108.8	V176 V177 W178 V193 L196 V202 F240 I264	V176-I238 HydrophobicContact CG1-CD1 3.84Å; V176-I238 HydrophobicContact CG1-CG1 3.62Å; V177-I238 PolarHBondContact O-N 2.93Å; W178-I238 HydrophobicContact CB-CB 4.09Å; W178-I238 HydrophobicContact CB-CD1 4.26Å; W178-I238 HydrophobicContact CG-CB 3.98Å; W178-I238 HydrophobicContact CG-CD1 4.47Å; W178-I238 HydrophobicContact CG-CG2 4.17Å; V193-I238 HydrophobicContact CG1-CD1 4.16Å; V193-I238 HydrophobicContact CG2-CD1 4.12Å; V193-I238 HydrophobicContact CG2-CG2 4.21Å; L196-I238 HydrophobicContact CD2-CD1 4.06Å; V202-I238 HydrophobicContact CG1-CD1 3.97Å; V202-I238 HydrophobicContact CG2-CD1 4.38Å; I238-F240 HydrophobicContact CG2-CB 4.06Å; I238-F240 HydrophobicContact CG2-CD1 3.77Å; I238-F240 HydrophobicContact CG2-CD2 3.47Å; I238-F240 VanDerWaalsContact CG2-CD2 3.47Å; I238-F240 HydrophobicContact CG2-CE1 4.08Å; I238-F240 HydrophobicContact CG2-CE2 3.79Å; I238-F240 HydrophobicContact CG2-CG 3.48Å; I238-F240 VanDerWaalsContact CG2-CG 3.48Å; I238-F240 HydrophobicContact CG2-CZ 4.09Å; I238-I264 HydrophobicContact CG1-CD1 4.22Å
239	A	97.9	Very high	96.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.			trans	-105.3	32.2	-177.6	0	0	0	0	0	112.3	Y237 E241 I253 P263 I264 V265	Y237-A239 HydrophobicContact CD1-CB 3.93Å; Y237-A239 HydrophobicContact CE1-CB 3.68Å; Y237-A239 PolarHBondContact O-N 2.77Å; A239-E241 PolarHBondContact O-N 3Å; A239-I253 HydrophobicContact CB-CD1 3.36Å; A239-I253 HydrophobicContact CB-CG1 4.22Å; A239-P263 HydrophobicContact CB-CB 4.21Å; A239-I264 PolarHBondContact N-O 3.1Å; A239-V265 HydrophobicContact CB-CG1 4.5Å
240	F	98.5	Very high	97.1	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	10%	0.098	C	C	.	.			trans	-64.6	131.8	-179.7	-66.7	-9.5	0	0	0	111.8	R189 Y192 V193 I238 I264 V265 M266 A283	R189-F240 HydrophobicContact CB-CB 3.87Å; R189-F240 HydrophobicContact CB-CD2 3.97Å; R189-F240 HydrophobicContact CB-CG 4.36Å; R189-F240 WeakPolarHBondContact CD-O 3.21Å; R189-F240 HydrophobicContact CG-CB 4.32Å; R189-F240 PolarHBondContact NH1-O 3.38Å; Y192-F240 AromaticContact CD1-CE2 3.53Å; Y192-F240 HydrophobicContact CD1-CE2 3.53Å; Y192-F240 AromaticContact CD1-CZ 3.78Å; Y192-F240 HydrophobicContact CD1-CZ 3.78Å; Y192-F240 HydrophobicContact CE1-CE2 4.11Å; Y192-F240 AromaticContact CE1-CZ 3.88Å; Y192-F240 HydrophobicContact CE1-CZ 3.88Å; Y192-F240 HydrophobicContact CG-CE2 4.29Å; V193-F240 HydrophobicContact CG2-CD2 3.73Å; V193-F240 HydrophobicContact CG2-CE2 3.68Å; I238-F240 HydrophobicContact CG2-CB 4.06Å; I238-F240 HydrophobicContact CG2-CD1 3.77Å; I238-F240 HydrophobicContact CG2-CD2 3.47Å; I238-F240 VanDerWaalsContact CG2-CD2 3.47Å; I238-F240 HydrophobicContact CG2-CE1 4.08Å; I238-F240 HydrophobicContact CG2-CE2 3.79Å; I238-F240 HydrophobicContact CG2-CG 3.48Å; I238-F240 VanDerWaalsContact CG2-CG 3.48Å; I238-F240 HydrophobicContact CG2-CZ 4.09Å; F240-I264 WeakPolarHBondContact CD1-O 3.41Å; F240-I264 HydrophobicContact CE1-CG2 3.96Å; F240-I264 HydrophobicContact CZ-CG2 4.28Å; F240-V265 VanDerWaalsContact CE1-C 3.45Å; F240-M266 HydrophobicContact CB-CG 3.92Å; F240-M266 HydrophobicContact CB-SD 4.17Å; F240-M266 HydrophobicContact CD1-CB 4.37Å; F240-M266 HydrophobicContact CD1-CG 3.4Å; F240-M266 HydrophobicContact CD2-CG 4.1Å; F240-M266 HydrophobicContact CE1-CG 3.82Å; F240-M266 HydrophobicContact CE2-CG 4.47Å; F240-M266 HydrophobicContact CG-CG 3.54Å; F240-M266 HydrophobicContact CG-SD 4.27Å; F240-M266 HydrophobicContact CZ-CG 4.34Å; F240-A283 HydrophobicContact CE1-CB 4.29Å; F240-A283 HydrophobicContact CZ-CB 4.12Å
241	E	98	Very high	97.1	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.11	C	C	.	.			trans	-83.4	153.8	-179.6	-63.9	-66.5	178.5	0	0	113.5	S187 R189 A239 S243 F248 T250 K252 M266 Y271	S187-E241 PolarHBondContact OG-O 3.13Å; R189-E241 WeakPolarHBondContact CD-O 3.47Å; A239-E241 PolarHBondContact O-N 3Å; E241-S243 WeakPolarHBondContact CB-O 3.27Å; E241-S243 PolarHBondContact O-N 2.93Å; E241-F248 HydrophobicContact CB-CD1 4.28Å; E241-T250 VanDerWaalsContact CD-CG2 3.46Å; E241-T250 VanDerWaalsContact OE1-CB 3.3Å; E241-T250 WeakPolarHBondContact OE1-CB 3.28Å; E241-T250 WeakPolarHBondContact OE1-CG2 3.04Å; E241-T250 PolarHBondContact OE1-N 3.03Å; E241-T250 PolarHBondContact OE1-OG1 2.82Å; E241-T250 VanDerWaalsContact OE2-CG2 3.25Å; E241-T250 WeakPolarHBondContact OE2-CG2 3.37Å; E241-T250 PolarHBondContact OE2-OG1 3.21Å; E241-K252 WeakPolarHBondContact OE2-CD 3.42Å; E241-K252 WeakPolarHBondContact OE2-CE 3.4Å; E241-K252 IonicContact OE2-NZ 3.52Å; E241-K252 PolarHBondContact OE2-NZ 3.32Å; E241-M266 HydrophobicContact CB-CE 4.18Å; E241-M266 VanDerWaalsContact O-CE 3.31Å; E241-M266 WeakPolarHBondContact O-CE 3.28Å; E241-Y271 WeakPolarHBondContact CG-OH 3.18Å
242	N	97.7	Very high	97.1	Very high	26 Å²	26	19.5 Å²	19.5	14%	0.139	9%	0.091	C	C	.	.	S	Bend	trans	-61.9	-27.7	177.2	-63.9	-15	0	0	0	112	Y118 F182 T185 T186 S187 R189	Y118-N242 HydrophobicContact CE2-CB 4.26Å; F182-N242 HydrophobicContact CD1-CB 4.2Å; T185-N242 WeakPolarHBondContact CB-O 3.1Å; T186-N242 PolarHBondContact N-O 3.32Å; T186-N242 PolarHBondContact OG1-O 2.78Å; T186-N242 VanDerWaalsContact OG1-O 3.13Å; S187-N242 PolarHBondContact N-O 2.9Å; S187-N242 VanDerWaalsContact N-O 3.16Å; S187-N242 PolarHBondContact OG-O 3.08Å; R189-N242 VanDerWaalsContact CZ-OD1 3.3Å; R189-N242 PolarHBondContact NH2-OD1 3.27Å
243	S	98.4	Very high	97.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-133.1	133.3	176.9	-62.7	0	0	0	0	108.8	S115 Y118 T186 E241 C245	S115-S243 WeakPolarHBondContact CB-OG 3.37Å; S115-S243 VanDerWaalsContact OG-CB 3.27Å; S115-S243 WeakPolarHBondContact OG-CB 3.33Å; S115-S243 PolarHBondContact OG-OG 2.62Å; Y118-S243 VanDerWaalsContact CE2-OG 3.28Å; Y118-S243 WeakPolarHBondContact CE2-OG 3.21Å; T186-S243 PolarHBondContact OG1-OG 3.45Å; T186-S243 VanDerWaalsContact OG1-OG 3.08Å; E241-S243 WeakPolarHBondContact CB-O 3.27Å; E241-S243 PolarHBondContact O-N 2.93Å; S243-C245 PolarHBondContact O-N 3.45Å
244	A	98.2	Very high	97.1	Very high	4 Å²	4	10.6 Å²	10.6	3%	0.033	5%	0.05	C	C	.	.			trans	-89.3	88.5	172.9	0	0	0	0	0	108.6	M266 F270 C364 L365 Y368	A244-M266 HydrophobicContact CB-CE 3.89Å; A244-F270 VanDerWaalsContact C-CE2 3.5Å; A244-F270 HydrophobicContact CB-CE2 4.31Å; A244-C364 CarbonylContact O-C 3.57Å; A244-C364 WeakPolarHBondContact O-CA 3.27Å; A244-L365 HydrophobicContact CB-CB 4.36Å; A244-L365 PolarHBondContact O-N 3.3Å; A244-Y368 HydrophobicContact CB-CD1 4.14Å; A244-Y368 HydrophobicContact CB-CG 4.18Å
245	C	98.1	Very high	96.8	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.02	5%	0.054	C	C	.	.			trans	-129.9	158	-177.8	-53.3	0	0	0	0	111.5	S243 D247 F248 F270 C364	S243-C245 PolarHBondContact O-N 3.45Å; C245-D247 PolarHBondContact O-N 2.84Å; C245-F248 HydrophobicContact CB-CB 4.01Å; C245-F248 PolarHBondContact O-N 3.1Å; C245-F270 WeakPolarHBondContact O-CD2 3.5Å; C245-C364 HydrophobicContact CB-CB 4.06Å; C245-C364 WeakPolarHBondContact CB-SG 3.44Å; C245-C364 WeakPolarHBondContact SG-CB 2.94Å; C245-C364 CovalentContact SG-SG 2.03Å; C245-C364 PolarHBondContact SG-SG 3.47Å
246	K	96.7	Very high	96.5	Very high	60 Å²	60	11.2 Å²	11.2	26%	0.261	5%	0.053	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	137.7	171.6	171.9	174.7	179	-177.4	0	110.7	F248 F270 S362 E363	K246-F248 PolarHBondContact O-N 3.44Å; K246-F270 HydrophobicContact CB-CE1 4.27Å; K246-S362 WeakPolarHBondContact CB-O 3.5Å; K246-S362 PolarHBondContact N-O 2.98Å; K246-S362 VanDerWaalsContact N-O 3.15Å; K246-E363 HydrophobicContact CB-CB 3.93Å; K246-E363 HydrophobicContact CD-CB 4.49Å; K246-E363 VanDerWaalsContact CD-CD 3.44Å; K246-E363 HydrophobicContact CD-CG 4.24Å; K246-E363 WeakPolarHBondContact CD-OE1 3.45Å; K246-E363 IonicContact NZ-OE1 2.67Å; K246-E363 PolarHBondContact NZ-OE1 3.01Å
247	D	96.9	Very high	96.2	Very high	9 Å²	9	11.5 Å²	11.5	5%	0.048	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-6.1	179.5	-61.5	-12.4	0	0	0	116.2	F138 R140 C245 V249	F138-D247 HydrophobicContact CD2-CB 4.33Å; F138-D247 WeakPolarHBondContact CD2-O 3.33Å; F138-D247 HydrophobicContact CE2-CB 4.48Å; R140-D247 IonicContact CZ-OD1 2.99Å; R140-D247 VanDerWaalsContact CZ-OD1 3.22Å; R140-D247 PolarHBondContact N-OD2 3.28Å; R140-D247 IonicContact NE-OD1 3.38Å; R140-D247 PolarHBondContact NE-OD1 3.05Å; R140-D247 IonicContact NE-OD2 3.49Å; R140-D247 PolarHBondContact NE-OD2 3.29Å; R140-D247 IonicContact NH2-OD1 3.88Å; R140-D247 PolarHBondContact NH2-OD1 3.5Å; C245-D247 PolarHBondContact O-N 2.84Å; D247-V249 PolarHBondContact O-N 2.76Å
248	F	98	Very high	95.8	Very high	8 Å²	8	13.5 Å²	13.5	4%	0.035	6%	0.064	C	C	.	.			trans	-79	72.8	-179.8	-165.4	-114	0	0	0	111.3	S115 F138 F148 E241 C245 K246 T250	S115-F248 VanDerWaalsContact N-CE2 3.32Å; F138-F248 AromaticContact CD1-CD2 3.88Å; F138-F248 HydrophobicContact CD1-CD2 3.88Å; F138-F248 HydrophobicContact CD1-CE2 4.17Å; F138-F248 HydrophobicContact CD2-CB 4.41Å; F138-F248 HydrophobicContact CD2-CD2 4.05Å; F138-F248 AromaticContact CE1-CD2 3.43Å; F138-F248 HydrophobicContact CE1-CD2 3.43Å; F138-F248 VanDerWaalsContact CE1-CD2 3.43Å; F138-F248 AromaticContact CE1-CE2 3.78Å; F138-F248 HydrophobicContact CE1-CE2 3.78Å; F138-F248 HydrophobicContact CE2-CB 3.79Å; F138-F248 AromaticContact CE2-CD2 3.65Å; F138-F248 HydrophobicContact CE2-CD2 3.65Å; F138-F248 HydrophobicContact CE2-CG 4.22Å; F138-F248 HydrophobicContact CG-CD2 4.19Å; F138-F248 HydrophobicContact CZ-CB 4.13Å; F138-F248 AromaticContact CZ-CD2 3.34Å; F138-F248 HydrophobicContact CZ-CD2 3.34Å; F138-F248 HydrophobicContact CZ-CE2 4.12Å; F138-F248 HydrophobicContact CZ-CG 4.15Å; F148-F248 HydrophobicContact CE2-CD2 4.18Å; F148-F248 AromaticContact CE2-CE2 3.98Å; F148-F248 HydrophobicContact CE2-CE2 3.98Å; F148-F248 AromaticContact CZ-CE2 3.9Å; F148-F248 HydrophobicContact CZ-CE2 3.9Å; E241-F248 HydrophobicContact CB-CD1 4.28Å; C245-F248 HydrophobicContact CB-CB 4.01Å; C245-F248 PolarHBondContact O-N 3.1Å; K246-F248 PolarHBondContact O-N 3.44Å; F248-T250 HydrophobicContact CD1-CG2 4.09Å; F248-T250 HydrophobicContact CD2-CG2 4.2Å; F248-T250 HydrophobicContact CE1-CG2 3.79Å; F248-T250 HydrophobicContact CE2-CG2 3.93Å; F248-T250 HydrophobicContact CG-CG2 4.32Å; F248-T250 HydrophobicContact CZ-CG2 3.72Å
249	V	97.4	Very high	95.5	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.024	7%	0.069	C	C	.	.			trans	-115.3	114	174.6	178.3	0	0	0	0	108.1	D247 I253 F254 F270 Y271 L274	D247-V249 PolarHBondContact O-N 2.76Å; V249-I253 HydrophobicContact CG1-CB 4.14Å; V249-I253 HydrophobicContact CG1-CG1 3.83Å; V249-F254 HydrophobicContact CG1-CE2 3.97Å; V249-F254 HydrophobicContact CG1-CZ 4.2Å; V249-F270 WeakPolarHBondContact CG2-O 3.21Å; V249-Y271 HydrophobicContact CB-CD1 4.32Å; V249-Y271 HydrophobicContact CB-CE1 4.28Å; V249-Y271 HydrophobicContact CG1-CD1 3.67Å; V249-Y271 HydrophobicContact CG1-CE1 3.73Å; V249-Y271 HydrophobicContact CG2-CD1 3.64Å; V249-Y271 HydrophobicContact CG2-CD2 4.47Å; V249-Y271 HydrophobicContact CG2-CE1 3.73Å; V249-Y271 HydrophobicContact CG2-CG 4.06Å; V249-L274 HydrophobicContact CB-CD1 3.69Å; V249-L274 HydrophobicContact CG1-CD1 4.31Å; V249-L274 HydrophobicContact CG2-CD1 3.73Å
250	T	96	Very high	95.2	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	8%	0.077	C	C	.	.			trans	-106.2	-168.9	-160.2	74.6	0	0	0	0	113.3	F148 E241 F248 K252 I253 F254	F148-T250 HydrophobicContact CD2-CG2 4.12Å; F148-T250 HydrophobicContact CE1-CG2 4.3Å; F148-T250 HydrophobicContact CE2-CG2 3.68Å; F148-T250 HydrophobicContact CZ-CG2 3.72Å; E241-T250 VanDerWaalsContact CD-CG2 3.46Å; E241-T250 VanDerWaalsContact OE1-CB 3.3Å; E241-T250 WeakPolarHBondContact OE1-CB 3.28Å; E241-T250 WeakPolarHBondContact OE1-CG2 3.04Å; E241-T250 PolarHBondContact OE1-N 3.03Å; E241-T250 PolarHBondContact OE1-OG1 2.82Å; E241-T250 VanDerWaalsContact OE2-CG2 3.25Å; E241-T250 WeakPolarHBondContact OE2-CG2 3.37Å; E241-T250 PolarHBondContact OE2-OG1 3.21Å; F248-T250 HydrophobicContact CD1-CG2 4.09Å; F248-T250 HydrophobicContact CD2-CG2 4.2Å; F248-T250 HydrophobicContact CE1-CG2 3.79Å; F248-T250 HydrophobicContact CE2-CG2 3.93Å; F248-T250 HydrophobicContact CG-CG2 4.32Å; F248-T250 HydrophobicContact CZ-CG2 3.72Å; T250-K252 PolarHBondContact O-N 3.39Å; T250-K252 PolarHBondContact OG1-N 2.97Å; T250-K252 PolarHBondContact OG1-NZ 3.3Å; T250-I253 PolarHBondContact O-N 2.8Å; T250-F254 VanDerWaalsContact O-CD2 3.23Å; T250-F254 WeakPolarHBondContact O-CD2 3.39Å
251	E	93.4	Very high	95.1	Very high	54 Å²	54	16.2 Å²	16.2	25%	0.252	8%	0.078	S	C	.	.	H	α-helix	trans	-53.7	-24	173.5	78.7	-67.7	152.1	0	0	113.3	I253 F254 N255 F321	E251-I253 PolarHBondContact O-N 2.88Å; E251-F254 PolarHBondContact O-N 3.28Å; E251-N255 WeakPolarHBondContact O-CB 3.37Å; E251-N255 PolarHBondContact O-N 2.93Å; E251-N255 PolarHBondContact O-OD1 3.37Å; E251-F321 HydrophobicContact CB-CB 3.53Å; E251-F321 HydrophobicContact CB-CG 4.03Å
252	K	94.3	Very high	95.1	Very high	23 Å²	23	16.2 Å²	16.2	10%	0.1	8%	0.079	C	C	.	.	H	α-helix	trans	-55.5	-40.1	179.4	-68.3	172.6	-156.1	62.1	0	111.7	Y237 E241 T250	Y237-K252 VanDerWaalsContact CE1-O 3.28Å; Y237-K252 WeakPolarHBondContact CE1-O 3.27Å; E241-K252 WeakPolarHBondContact OE2-CD 3.42Å; E241-K252 WeakPolarHBondContact OE2-CE 3.4Å; E241-K252 IonicContact OE2-NZ 3.52Å; E241-K252 PolarHBondContact OE2-NZ 3.32Å; T250-K252 PolarHBondContact O-N 3.39Å; T250-K252 PolarHBondContact OG1-N 2.97Å; T250-K252 PolarHBondContact OG1-NZ 3.3Å
253	I	95.1	Very high	95.1	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-77.2	-62.6	173.4	-65.1	-67.6	0	0	0	109.7	A239 V249 T250 E251 N255 R256 V257 P263 V265 Y271 L275	A239-I253 HydrophobicContact CB-CD1 3.36Å; A239-I253 HydrophobicContact CB-CG1 4.22Å; V249-I253 HydrophobicContact CG1-CB 4.14Å; V249-I253 HydrophobicContact CG1-CG1 3.83Å; T250-I253 PolarHBondContact O-N 2.8Å; E251-I253 PolarHBondContact O-N 2.88Å; I253-N255 VanDerWaalsContact C-N 3.27Å; I253-N255 PolarHBondContact O-N 3.17Å; I253-N255 VanDerWaalsContact O-N 3.16Å; I253-R256 PolarHBondContact O-N 3.05Å; I253-V257 HydrophobicContact CG2-CG1 3.54Å; I253-V257 WeakPolarHBondContact O-CG1 3.15Å; I253-V257 PolarHBondContact O-N 3.41Å; I253-P263 HydrophobicContact CD1-CB 3.76Å; I253-P263 HydrophobicContact CD1-CG 4.36Å; I253-V265 HydrophobicContact CD1-CG1 3.77Å; I253-Y271 HydrophobicContact CD1-CD1 4.23Å; I253-Y271 HydrophobicContact CD1-CE1 3.98Å; I253-Y271 HydrophobicContact CG1-CD1 4.11Å; I253-Y271 HydrophobicContact CG1-CE1 3.78Å; I253-L275 HydrophobicContact CG2-CD1 3.87Å; I253-L275 HydrophobicContact CG2-CD2 3.83Å; I253-L275 HydrophobicContact CG2-CG 4.46Å
254	F	94.6	Very high	95.1	Very high	5 Å²	5	15.4 Å²	15.4	2%	0.022	8%	0.075	C	C	.	.	H	α-helix	trans	-65.5	-27.4	-164.5	-60.4	-69.2	0	0	0	114.2	F148 G149 V249 T250 E251 R256 L275	F148-F254 HydrophobicContact CB-CD2 4.37Å; G149-F254 WeakPolarHBondContact O-CE1 3.23Å; G149-F254 VanDerWaalsContact O-CE2 3.25Å; G149-F254 WeakPolarHBondContact O-CE2 3.29Å; G149-F254 WeakPolarHBondContact O-CZ 3.25Å; V249-F254 HydrophobicContact CG1-CE2 3.97Å; V249-F254 HydrophobicContact CG1-CZ 4.2Å; T250-F254 VanDerWaalsContact O-CD2 3.23Å; T250-F254 WeakPolarHBondContact O-CD2 3.39Å; E251-F254 PolarHBondContact O-N 3.28Å; F254-R256 VanDerWaalsContact C-N 3.3Å; F254-R256 PolarHBondContact O-N 3.4Å; F254-L275 HydrophobicContact CE1-CD2 4.13Å
255	N	91.2	Very high	95.1	Very high	14 Å²	14	15.2 Å²	15.2	8%	0.075	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-21.1	178.4	-65.8	4.8	0	0	0	113	E251 I253 P320 F321	E251-N255 WeakPolarHBondContact O-CB 3.37Å; E251-N255 PolarHBondContact O-N 2.93Å; E251-N255 PolarHBondContact O-OD1 3.37Å; I253-N255 VanDerWaalsContact C-N 3.27Å; I253-N255 PolarHBondContact O-N 3.17Å; I253-N255 VanDerWaalsContact O-N 3.16Å; N255-P320 WeakPolarHBondContact OD1-CB 3.29Å; N255-F321 WeakPolarHBondContact OD1-CB 3.45Å; N255-F321 PolarHBondContact OD1-N 2.91Å
256	R	91.9	Very high	95.1	Very high	14 Å²	14	15.3 Å²	15.3	5%	0.053	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-10.2	-169.9	-67.8	-173	-176.4	90.1	-4.3	115.2	E227 Y237 I253 F254 E258 S259 M261	E227-R256 VanDerWaalsContact CD-NE 3.28Å; E227-R256 IonicContact OE1-CZ 2.65Å; E227-R256 IonicContact OE1-NE 3.88Å; E227-R256 PolarHBondContact OE1-NE 3.48Å; E227-R256 IonicContact OE1-NH2 3.77Å; E227-R256 PolarHBondContact OE1-NH2 3.03Å; E227-R256 WeakPolarHBondContact OE2-CD 3.39Å; E227-R256 WeakPolarHBondContact OE2-CG 3.49Å; E227-R256 IonicContact OE2-CZ 3.27Å; E227-R256 IonicContact OE2-NE 2.8Å; E227-R256 PolarHBondContact OE2-NE 3.16Å; E227-R256 IonicContact OE2-NH2 3.08Å; Y237-R256 HydrophobicContact CD1-CB 4.43Å; Y237-R256 PolarHBondContact OH-NH1 3.03Å; Y237-R256 VanDerWaalsContact OH-NH1 3.14Å; I253-R256 PolarHBondContact O-N 3.05Å; F254-R256 VanDerWaalsContact C-N 3.3Å; F254-R256 PolarHBondContact O-N 3.4Å; R256-E258 PolarHBondContact O-N 2.84Å; R256-E258 VanDerWaalsContact O-N 3.1Å; R256-S259 WeakPolarHBondContact O-CB 3.2Å; R256-S259 PolarHBondContact O-N 2.69Å; R256-M261 HydrophobicContact CB-CE 4.22Å; R256-M261 HydrophobicContact CG-CE 4.47Å
257	V	91.1	Very high	95.2	Very high	6 Å²	6	14.6 Å²	14.6	4%	0.036	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-54.7	-32	177.7	-79.4	0	0	0	0	111.9	L151 I253 S259 W312 K313 A318	L151-V257 HydrophobicContact CD2-CG2 4.41Å; I253-V257 HydrophobicContact CG2-CG1 3.54Å; I253-V257 WeakPolarHBondContact O-CG1 3.15Å; I253-V257 PolarHBondContact O-N 3.41Å; V257-S259 VanDerWaalsContact C-N 3.3Å; V257-S259 PolarHBondContact O-N 3.25Å; V257-W312 HydrophobicContact CB-CH2 4.05Å; V257-W312 HydrophobicContact CB-CZ2 4.15Å; V257-W312 HydrophobicContact CG2-CH2 4.42Å; V257-K313 VanDerWaalsContact C-NZ 3.29Å; V257-K313 WeakPolarHBondContact O-CE 3.31Å; V257-K313 PolarHBondContact O-NZ 3.38Å; V257-A318 HydrophobicContact CG2-CB 3.46Å; V257-A318 VanDerWaalsContact CG2-CB 3.46Å
258	E	90.2	Very high	95.2	Very high	49 Å²	49	16.9 Å²	16.9	23%	0.229	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-74.7	-7.9	175.8	-62.5	-58.3	163.9	0	0	115.8	R256 H260 K313 E317 A318	R256-E258 PolarHBondContact O-N 2.84Å; R256-E258 VanDerWaalsContact O-N 3.1Å; E258-H260 PolarHBondContact O-CD2 3.43Å; E258-H260 VanDerWaalsContact O-CD2 3.28Å; E258-H260 PolarHBondContact O-N 2.94Å; E258-K313 IonicContact OE1-NZ 2.78Å; E258-K313 IonicContact OE2-NZ 2.86Å; E258-K313 PolarHBondContact OE2-NZ 2.91Å; E258-E317 WeakPolarHBondContact OE1-CA 3.45Å; E258-A318 HydrophobicContact CG-CB 3.95Å; E258-A318 PolarHBondContact OE1-N 3.23Å
259	S	91.8	Very high	95.2	Very high	14 Å²	14	19.3 Å²	19.3	10%	0.098	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-82.2	10.8	-178.3	-63.5	0	0	0	0	114.1	K172 R256 V257 M261	K172-S259 PolarHBondContact NZ-O 2.94Å; R256-S259 WeakPolarHBondContact O-CB 3.2Å; R256-S259 PolarHBondContact O-N 2.69Å; V257-S259 VanDerWaalsContact C-N 3.3Å; V257-S259 PolarHBondContact O-N 3.25Å; S259-M261 PolarHBondContact O-N 3.32Å; S259-M261 VanDerWaalsContact O-N 3.1Å
260	H	92.2	Very high	95.2	Very high	36 Å²	36	20.1 Å²	20.1	17%	0.167	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	32.4	-177.6	-55.4	172.2	0	0	0	112.3	W165 I168 K172 E258 Y306	W165-H260 AromaticContact CZ3-CE1 3.7Å; W165-H260 AromaticContact CZ3-NE2 3.9Å; I168-H260 VanDerWaalsContact CD1-CE1 3.43Å; I168-H260 WeakPolarHBondContact CD1-CE1 3.39Å; I168-H260 VanDerWaalsContact CD1-ND1 3.31Å; I168-H260 WeakPolarHBondContact CD1-ND1 3.39Å; I168-H260 HydrophobicContact CG2-CB 3.81Å; I168-H260 VanDerWaalsContact CG2-ND1 3.26Å; I168-H260 WeakPolarHBondContact CG2-ND1 3.08Å; K172-H260 WeakPolarHBondContact CE-O 3.18Å; K172-H260 PolarHBondContact NZ-O 3.36Å; E258-H260 PolarHBondContact O-CD2 3.43Å; E258-H260 VanDerWaalsContact O-CD2 3.28Å; E258-H260 PolarHBondContact O-N 2.94Å; H260-Y306 PolarHBondContact O-OH 3.18Å
261	M	95.7	Very high	95.2	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.039	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-101.9	136.6	169	-62.2	-173.1	-71.1	0	0	107.6	V177 F230 Y234 K235 R256 S259 P263	V177-M261 HydrophobicContact CG1-SD 4.09Å; F230-M261 HydrophobicContact CB-CE 3.92Å; F230-M261 HydrophobicContact CB-SD 4Å; Y234-M261 WeakPolarHBondContact O-CG 2.98Å; K235-M261 CarbonylContact O-C 3.59Å; K235-M261 VanDerWaalsContact O-CA 3.3Å; K235-M261 WeakPolarHBondContact O-CA 3.38Å; R256-M261 HydrophobicContact CB-CE 4.22Å; R256-M261 HydrophobicContact CG-CE 4.47Å; S259-M261 PolarHBondContact O-N 3.32Å; S259-M261 VanDerWaalsContact O-N 3.1Å; M261-P263 VanDerWaalsContact O-CD 3.31Å; M261-P263 WeakPolarHBondContact O-CD 3.39Å
262	V	97.7	Very high	95.4	Very high	2 Å²	2	22 Å²	22	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	116.9	175.8	-178.7	0	0	0	0	108.7	K235 F236 Y237 I281 Y306 Y309 Y310	K235-V262 PolarHBondContact O-N 3.26Å; F236-V262 WeakPolarHBondContact CA-O 3.3Å; F236-V262 HydrophobicContact CD1-CB 3.84Å; F236-V262 HydrophobicContact CD1-CG1 4.41Å; F236-V262 HydrophobicContact CE1-CB 4.2Å; F236-V262 HydrophobicContact CE1-CG2 4.48Å; Y237-V262 PolarHBondContact N-O 3.34Å; V262-I281 HydrophobicContact CG1-CD1 3.88Å; V262-I281 HydrophobicContact CG1-CG1 3.85Å; V262-Y306 HydrophobicContact CB-CE2 4.41Å; V262-Y306 HydrophobicContact CG2-CD2 3.97Å; V262-Y306 HydrophobicContact CG2-CE2 3.48Å; V262-Y306 VanDerWaalsContact CG2-CE2 3.48Å; V262-Y309 HydrophobicContact CG1-CD1 3.53Å; V262-Y309 HydrophobicContact CG1-CE1 4.14Å; V262-Y309 HydrophobicContact CG1-CG 3.75Å; V262-Y309 VanDerWaalsContact CG2-CB 3.42Å; V262-Y309 HydrophobicContact CG2-CG 3.95Å; V262-Y310 HydrophobicContact CG2-CD1 4.39Å
263	P	98.2	Very high	95.4	Very high	9 Å²	9	23.1 Å²	23.1	6%	0.058	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	136.7	178	28	-32.1	0	0	0	110.9	Y237 A239 I253 M261 S279 F280 I281	Y237-P263 CarbonylContact O-C 3.58Å; Y237-P263 WeakPolarHBondContact O-CA 3.12Å; A239-P263 HydrophobicContact CB-CB 4.21Å; I253-P263 HydrophobicContact CD1-CB 3.76Å; I253-P263 HydrophobicContact CD1-CG 4.36Å; M261-P263 VanDerWaalsContact O-CD 3.31Å; M261-P263 WeakPolarHBondContact O-CD 3.39Å; P263-S279 WeakPolarHBondContact CD-O 3.37Å; P263-F280 HydrophobicContact CG-CB 3.75Å; P263-F280 WeakPolarHBondContact O-CA 3.44Å; P263-F280 WeakPolarHBondContact O-CB 3.27Å; P263-I281 PolarHBondContact O-N 2.84Å
264	I	98.7	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.2	171.3	-56.4	163.6	0	0	0	107.3	V176 F236 Y237 I238 A239 F240 I281 L292 I296	V176-I264 HydrophobicContact CG1-CD1 4.3Å; F236-I264 HydrophobicContact CB-CD1 3.93Å; Y237-I264 PolarHBondContact O-N 3.36Å; I238-I264 HydrophobicContact CG1-CD1 4.22Å; A239-I264 PolarHBondContact N-O 3.1Å; F240-I264 WeakPolarHBondContact CD1-O 3.41Å; F240-I264 HydrophobicContact CE1-CG2 3.96Å; F240-I264 HydrophobicContact CZ-CG2 4.28Å; I264-I281 CarbonylContact C-O 3.51Å; I264-I281 VanDerWaalsContact CA-O 3.32Å; I264-I281 WeakPolarHBondContact CA-O 3.5Å; I264-I281 HydrophobicContact CG1-CB 4.37Å; I264-L292 HydrophobicContact CG2-CD1 4.49Å; I264-L292 HydrophobicContact CG2-CD2 4.1Å; I264-I296 HydrophobicContact CD1-CD1 3.61Å; I264-I296 HydrophobicContact CD1-CG1 4.34Å
265	V	98.6	Very high	95.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	161.1	-174.2	-55.1	0	0	0	0	111.3	A239 F240 I253 Y271 F280 I281 A282 A283	A239-V265 HydrophobicContact CB-CG1 4.5Å; F240-V265 VanDerWaalsContact CE1-C 3.45Å; I253-V265 HydrophobicContact CD1-CG1 3.77Å; V265-Y271 HydrophobicContact CB-CD1 4.12Å; V265-Y271 HydrophobicContact CB-CD2 3.76Å; V265-Y271 HydrophobicContact CB-CE1 3.87Å; V265-Y271 HydrophobicContact CB-CE2 3.53Å; V265-Y271 HydrophobicContact CB-CG 4.06Å; V265-Y271 HydrophobicContact CG1-CD1 3.66Å; V265-Y271 HydrophobicContact CG1-CD2 4.22Å; V265-Y271 HydrophobicContact CG1-CE1 3.51Å; V265-Y271 HydrophobicContact CG1-CE2 4.13Å; V265-Y271 HydrophobicContact CG1-CG 4.01Å; V265-Y271 HydrophobicContact CG2-CD1 4.47Å; V265-Y271 HydrophobicContact CG2-CD2 3.64Å; V265-Y271 HydrophobicContact CG2-CE2 3.9Å; V265-Y271 HydrophobicContact CG2-CG 3.96Å; V265-F280 HydrophobicContact CG2-CD2 3.51Å; V265-F280 HydrophobicContact CG2-CE2 3.84Å; V265-F280 HydrophobicContact CG2-CG 4.38Å; V265-I281 PolarHBondContact N-O 3.38Å; V265-A282 HydrophobicContact CG2-CB 3.92Å; V265-A282 CarbonylContact O-C 3.51Å; V265-A282 WeakPolarHBondContact O-CA 3.3Å; V265-A283 WeakPolarHBondContact O-CB 3.22Å; V265-A283 PolarHBondContact O-N 2.81Å
266	M	97.5	Very high	95.7	Very high	4 Å²	4	25 Å²	25	2%	0.02	13%	0.128	C	C	.	.	S	Bend	trans	-76.4	-46.8	-176.1	-68.3	-175	-68.8	0	0	113	R189 F240 E241 A244 D284 Y368	R189-M266 HydrophobicContact CB-SD 3.97Å; F240-M266 HydrophobicContact CB-CG 3.92Å; F240-M266 HydrophobicContact CB-SD 4.17Å; F240-M266 HydrophobicContact CD1-CB 4.37Å; F240-M266 HydrophobicContact CD1-CG 3.4Å; F240-M266 HydrophobicContact CD2-CG 4.1Å; F240-M266 HydrophobicContact CE1-CG 3.82Å; F240-M266 HydrophobicContact CE2-CG 4.47Å; F240-M266 HydrophobicContact CG-CG 3.54Å; F240-M266 HydrophobicContact CG-SD 4.27Å; F240-M266 HydrophobicContact CZ-CG 4.34Å; E241-M266 HydrophobicContact CB-CE 4.18Å; E241-M266 VanDerWaalsContact O-CE 3.31Å; E241-M266 WeakPolarHBondContact O-CE 3.28Å; A244-M266 HydrophobicContact CB-CE 3.89Å; M266-D284 PolarHBondContact O-N 2.98Å; M266-Y368 HydrophobicContact CB-CD1 4.07Å; M266-Y368 HydrophobicContact CB-CE1 4.19Å
267	K	97.9	Very high	95.8	Very high	45 Å²	45	32.8 Å²	32.8	20%	0.196	16%	0.163	C	C	.	.			trans	-131.6	112	-169.4	-177	161.3	-166.8	59.4	0	112.1	S269 F270 Y271 D284 L365 Y368	K267-S269 VanDerWaalsContact C-N 3.34Å; K267-S269 VanDerWaalsContact CE-OG 3.25Å; K267-S269 WeakPolarHBondContact CE-OG 3.43Å; K267-S269 PolarHBondContact O-N 2.74Å; K267-F270 HydrophobicContact CB-CD2 3.83Å; K267-F270 HydrophobicContact CB-CE2 4.3Å; K267-F270 HydrophobicContact CB-CG 4.21Å; K267-F270 HydrophobicContact CD-CD1 4.19Å; K267-F270 HydrophobicContact CD-CD2 3.91Å; K267-F270 HydrophobicContact CD-CE1 3.99Å; K267-F270 HydrophobicContact CD-CE2 3.68Å; K267-F270 HydrophobicContact CD-CG 4.16Å; K267-F270 HydrophobicContact CD-CZ 3.74Å; K267-F270 HydrophobicContact CG-CD2 4.12Å; K267-F270 HydrophobicContact CG-CE2 4.39Å; K267-F270 HydrophobicContact CG-CG 4.19Å; K267-F270 PolarHBondContact O-N 3.11Å; K267-F270 VanDerWaalsContact O-N 3.14Å; K267-Y271 WeakPolarHBondContact O-CD2 3.33Å; K267-D284 WeakPolarHBondContact CA-OD1 3.42Å; K267-D284 WeakPolarHBondContact CA-OD2 3.47Å; K267-D284 WeakPolarHBondContact CG-OD2 3.36Å; K267-D284 IonicContact NZ-OD2 2.93Å; K267-L365 HydrophobicContact CD-CD1 3.84Å; K267-Y368 HydrophobicContact CB-CD1 4.48Å; K267-Y368 HydrophobicContact CB-CE1 3.61Å; K267-Y368 HydrophobicContact CD-CE1 4.22Å; K267-Y368 HydrophobicContact CD-CE2 4.42Å; K267-Y368 HydrophobicContact CG-CE1 4.24Å; K267-Y368 PolarHBondContact NZ-OH 3.44Å; K267-Y368 VanDerWaalsContact NZ-OH 3.14Å
268	R	98	Very high	95.9	Very high	57 Å²	57	34.2 Å²	34.2	22%	0.215	18%	0.178	C	C	.	.	H	α-helix	trans	-46.8	-52.6	-178.2	174.7	165.8	-73.9	-69.3	-6.7	113.6	F270 Y271 E272 F280 A282 D284 D285	R268-F270 PolarHBondContact O-N 3.03Å; R268-F270 VanDerWaalsContact O-N 3.08Å; R268-Y271 PolarHBondContact O-N 3.24Å; R268-E272 WeakPolarHBondContact CD-OE1 3.34Å; R268-E272 HydrophobicContact CG-CG 3.62Å; R268-E272 WeakPolarHBondContact CG-OE1 3.41Å; R268-E272 IonicContact CZ-OE1 3.42Å; R268-E272 IonicContact NE-OE1 3.72Å; R268-E272 IonicContact NH1-OE1 2.8Å; R268-E272 PolarHBondContact NH1-OE1 3.22Å; R268-E272 WeakPolarHBondContact O-CG 3.11Å; R268-E272 PolarHBondContact O-N 3.02Å; R268-F280 HydrophobicContact CG-CE2 4.43Å; R268-A282 HydrophobicContact CB-CB 3.63Å; R268-D284 PolarHBondContact N-OD1 3.31Å; R268-D284 PolarHBondContact N-OD2 3.06Å; R268-D285 WeakPolarHBondContact CD-OD1 3.41Å; R268-D285 IonicContact CZ-OD1 2.86Å; R268-D285 IonicContact CZ-OD2 2.8Å; R268-D285 VanDerWaalsContact CZ-OD2 3.27Å; R268-D285 VanDerWaalsContact NE-CG 3.33Å; R268-D285 IonicContact NE-OD1 3.52Å; R268-D285 PolarHBondContact NE-OD1 3.38Å; R268-D285 IonicContact NE-OD2 3.38Å; R268-D285 PolarHBondContact NE-OD2 2.7Å; R268-D285 VanDerWaalsContact NE-OD2 3.08Å; R268-D285 IonicContact NH2-OD1 2.89Å; R268-D285 IonicContact NH2-OD2 3.72Å; R268-D285 PolarHBondContact NH2-OD2 3.43Å
269	S	97.3	Very high	96.3	Very high	59 Å²	59	32 Å²	32	41%	0.413	17%	0.169	S	C	.	.	H	α-helix	trans	-62.6	-20.2	-173.2	66.4	0	0	0	0	114.7	K267 P273	K267-S269 VanDerWaalsContact C-N 3.34Å; K267-S269 VanDerWaalsContact CE-OG 3.25Å; K267-S269 WeakPolarHBondContact CE-OG 3.43Å; K267-S269 PolarHBondContact O-N 2.74Å; S269-P273 WeakPolarHBondContact O-CD 3.35Å
270	F	97.4	Very high	96.6	Very high	21 Å²	21	31.4 Å²	31.4	9%	0.092	16%	0.164	C	C	.	.	H	α-helix	trans	-79.7	-20.6	175.9	-68	-16.4	0	0	0	113.1	A244 C245 K246 V249 K267 R268 L365	A244-F270 VanDerWaalsContact C-CE2 3.5Å; A244-F270 HydrophobicContact CB-CE2 4.31Å; C245-F270 WeakPolarHBondContact O-CD2 3.5Å; K246-F270 HydrophobicContact CB-CE1 4.27Å; V249-F270 WeakPolarHBondContact CG2-O 3.21Å; K267-F270 HydrophobicContact CB-CD2 3.83Å; K267-F270 HydrophobicContact CB-CE2 4.3Å; K267-F270 HydrophobicContact CB-CG 4.21Å; K267-F270 HydrophobicContact CD-CD1 4.19Å; K267-F270 HydrophobicContact CD-CD2 3.91Å; K267-F270 HydrophobicContact CD-CE1 3.99Å; K267-F270 HydrophobicContact CD-CE2 3.68Å; K267-F270 HydrophobicContact CD-CG 4.16Å; K267-F270 HydrophobicContact CD-CZ 3.74Å; K267-F270 HydrophobicContact CG-CD2 4.12Å; K267-F270 HydrophobicContact CG-CE2 4.39Å; K267-F270 HydrophobicContact CG-CG 4.19Å; K267-F270 PolarHBondContact O-N 3.11Å; K267-F270 VanDerWaalsContact O-N 3.14Å; R268-F270 PolarHBondContact O-N 3.03Å; R268-F270 VanDerWaalsContact O-N 3.08Å; F270-L365 HydrophobicContact CE2-CD1 4.41Å; F270-L365 HydrophobicContact CZ-CD1 4.17Å; F270-L365 HydrophobicContact CZ-CG 4.48Å
271	Y	97.4	Very high	96.9	Very high	5 Å²	5	29.8 Å²	29.8	2%	0.02	16%	0.157	C	C	.	.	H	α-helix	trans	-110.2	-28.2	-174.8	-61.9	-102.7	0	0	0	112.8	E241 V249 I253 V265 K267 R268 P273 L274 L275	E241-Y271 WeakPolarHBondContact CG-OH 3.18Å; V249-Y271 HydrophobicContact CB-CD1 4.32Å; V249-Y271 HydrophobicContact CB-CE1 4.28Å; V249-Y271 HydrophobicContact CG1-CD1 3.67Å; V249-Y271 HydrophobicContact CG1-CE1 3.73Å; V249-Y271 HydrophobicContact CG2-CD1 3.64Å; V249-Y271 HydrophobicContact CG2-CD2 4.47Å; V249-Y271 HydrophobicContact CG2-CE1 3.73Å; V249-Y271 HydrophobicContact CG2-CG 4.06Å; I253-Y271 HydrophobicContact CD1-CD1 4.23Å; I253-Y271 HydrophobicContact CD1-CE1 3.98Å; I253-Y271 HydrophobicContact CG1-CD1 4.11Å; I253-Y271 HydrophobicContact CG1-CE1 3.78Å; V265-Y271 HydrophobicContact CB-CD1 4.12Å; V265-Y271 HydrophobicContact CB-CD2 3.76Å; V265-Y271 HydrophobicContact CB-CE1 3.87Å; V265-Y271 HydrophobicContact CB-CE2 3.53Å; V265-Y271 HydrophobicContact CB-CG 4.06Å; V265-Y271 HydrophobicContact CG1-CD1 3.66Å; V265-Y271 HydrophobicContact CG1-CD2 4.22Å; V265-Y271 HydrophobicContact CG1-CE1 3.51Å; V265-Y271 HydrophobicContact CG1-CE2 4.13Å; V265-Y271 HydrophobicContact CG1-CG 4.01Å; V265-Y271 HydrophobicContact CG2-CD1 4.47Å; V265-Y271 HydrophobicContact CG2-CD2 3.64Å; V265-Y271 HydrophobicContact CG2-CE2 3.9Å; V265-Y271 HydrophobicContact CG2-CG 3.96Å; K267-Y271 WeakPolarHBondContact O-CD2 3.33Å; R268-Y271 PolarHBondContact O-N 3.24Å; Y271-P273 VanDerWaalsContact C-CD 3.43Å; Y271-P273 VanDerWaalsContact C-N 3.33Å; Y271-L274 PolarHBondContact O-N 3.23Å; Y271-L275 HydrophobicContact CD1-CD1 4.14Å; Y271-L275 PolarHBondContact O-N 2.86Å
272	E	96.4	Very high	97	Very high	90 Å²	90	29.4 Å²	29.4	42%	0.421	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-37.5	179.1	-74.7	-170.3	150.5	0	0	115.1	R268 L274 F280	R268-E272 WeakPolarHBondContact CD-OE1 3.34Å; R268-E272 HydrophobicContact CG-CG 3.62Å; R268-E272 WeakPolarHBondContact CG-OE1 3.41Å; R268-E272 IonicContact CZ-OE1 3.42Å; R268-E272 IonicContact NE-OE1 3.72Å; R268-E272 IonicContact NH1-OE1 2.8Å; R268-E272 PolarHBondContact NH1-OE1 3.22Å; R268-E272 WeakPolarHBondContact O-CG 3.11Å; R268-E272 PolarHBondContact O-N 3.02Å; E272-L274 PolarHBondContact O-N 3.09Å; E272-F280 HydrophobicContact CG-CE1 4.42Å; E272-F280 HydrophobicContact CG-CZ 3.71Å
273	P	94.9	Very high	97	Very high	47 Å²	47	29.3 Å²	29.3	31%	0.305	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.1	177.5	-20.8	34.1	0	0	0	114.5	S269 Y271	S269-P273 WeakPolarHBondContact O-CD 3.35Å; Y271-P273 VanDerWaalsContact C-CD 3.43Å; Y271-P273 VanDerWaalsContact C-N 3.33Å
274	L	94.7	Very high	97	Very high	39 Å²	39	30 Å²	30	20%	0.204	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-24.2	-172	-62.5	176	0	0	0	113.1	V249 Y271 E272	V249-L274 HydrophobicContact CB-CD1 3.69Å; V249-L274 HydrophobicContact CG1-CD1 4.31Å; V249-L274 HydrophobicContact CG2-CD1 3.73Å; Y271-L274 PolarHBondContact O-N 3.23Å; E272-L274 PolarHBondContact O-N 3.09Å
275	L	95.8	Very high	97	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	18%	0.177	C	C	.	.	S	Bend	trans	-120.9	148.7	-174.4	-58.2	-178.2	0	0	0	111.5	L151 I253 F254 Y271 F280	L151-L275 HydrophobicContact CD1-CD2 4.31Å; I253-L275 HydrophobicContact CG2-CD1 3.87Å; I253-L275 HydrophobicContact CG2-CD2 3.83Å; I253-L275 HydrophobicContact CG2-CG 4.46Å; F254-L275 HydrophobicContact CE1-CD2 4.13Å; Y271-L275 HydrophobicContact CD1-CD1 4.14Å; Y271-L275 PolarHBondContact O-N 2.86Å; L275-F280 HydrophobicContact CB-CD1 3.87Å; L275-F280 HydrophobicContact CB-CE1 3.9Å; L275-F280 HydrophobicContact CD1-CD1 3.74Å; L275-F280 HydrophobicContact CD1-CE1 4.27Å; L275-F280 HydrophobicContact CD1-CG 4.4Å; L275-F280 HydrophobicContact CG-CD1 4.46Å
276	P	96.1	Very high	96.9	Very high	15 Å²	15	35 Å²	35	10%	0.097	18%	0.183	C	C	.	.			trans	-60.8	146	179.7	-24	35.3	0	0	0	111.1	L151 G278 S279 W312 Y316	L151-P276 HydrophobicContact CD1-CG 3.72Å; P276-G278 PolarHBondContact O-N 3.18Å; P276-S279 VanDerWaalsContact O-CB 3.23Å; P276-S279 WeakPolarHBondContact O-CB 3.46Å; P276-S279 PolarHBondContact O-N 2.86Å; P276-S279 PolarHBondContact O-OG 2.89Å; P276-W312 HydrophobicContact CB-CB 3.83Å; P276-W312 HydrophobicContact CB-CG 4.12Å; P276-W312 HydrophobicContact CG-CB 4.04Å; P276-W312 HydrophobicContact CG-CD2 3.97Å; P276-W312 HydrophobicContact CG-CE3 3.89Å; P276-W312 HydrophobicContact CG-CG 4.06Å; P276-Y316 HydrophobicContact CB-CE2 4.5Å; P276-Y316 HydrophobicContact CG-CD2 3.99Å; P276-Y316 HydrophobicContact CG-CE2 4.09Å
277	K	94.1	Very high	96.9	Very high	179 Å²	179	41.1 Å²	41.1	78%	0.778	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	134	174.2	-173.6	175.9	-178.9	176.6	0	110.2	S279	K277-S279 VanDerWaalsContact C-N 3.3Å; K277-S279 PolarHBondContact O-N 3.28Å
278	G	94.2	Very high	96.9	Very high	35 Å²	35	40.5 Å²	40.5	36%	0.361	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	10.7	-179.4	0	0	0	0	0	114.7	P276 Y309	P276-G278 PolarHBondContact O-N 3.18Å; G278-Y309 VanDerWaalsContact O-CA 3.29Å; G278-Y309 WeakPolarHBondContact O-CA 3.43Å; G278-Y309 WeakPolarHBondContact O-CD1 3.33Å
279	S	97	Very high	96.9	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.028	20%	0.201	C	C	.	.	S	Bend	trans	-86.6	-7.2	178	62.1	0	0	0	0	115.2	P263 P276 K277	P263-S279 WeakPolarHBondContact CD-O 3.37Å; P276-S279 VanDerWaalsContact O-CB 3.23Å; P276-S279 WeakPolarHBondContact O-CB 3.46Å; P276-S279 PolarHBondContact O-N 2.86Å; P276-S279 PolarHBondContact O-OG 2.89Å; K277-S279 VanDerWaalsContact C-N 3.3Å; K277-S279 PolarHBondContact O-N 3.28Å
280	F	98	Very high	96.9	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.203	C	C	.	.	S	Bend	trans	-151.8	159.8	-174.6	65	-95.4	0	0	0	111.8	P263 V265 R268 E272 L275 A282 Y309	P263-F280 HydrophobicContact CG-CB 3.75Å; P263-F280 WeakPolarHBondContact O-CA 3.44Å; P263-F280 WeakPolarHBondContact O-CB 3.27Å; V265-F280 HydrophobicContact CG2-CD2 3.51Å; V265-F280 HydrophobicContact CG2-CE2 3.84Å; V265-F280 HydrophobicContact CG2-CG 4.38Å; R268-F280 HydrophobicContact CG-CE2 4.43Å; E272-F280 HydrophobicContact CG-CE1 4.42Å; E272-F280 HydrophobicContact CG-CZ 3.71Å; L275-F280 HydrophobicContact CB-CD1 3.87Å; L275-F280 HydrophobicContact CB-CE1 3.9Å; L275-F280 HydrophobicContact CD1-CD1 3.74Å; L275-F280 HydrophobicContact CD1-CE1 4.27Å; L275-F280 HydrophobicContact CD1-CG 4.4Å; L275-F280 HydrophobicContact CG-CD1 4.46Å; F280-A282 HydrophobicContact CD2-CB 4.45Å; F280-A282 HydrophobicContact CE2-CB 4.21Å; F280-Y309 WeakPolarHBondContact O-CE1 3.43Å
281	I	98.5	Very high	97	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.8	172.7	-60.2	169.4	0	0	0	107.9	F236 V262 P263 I264 V265 F286 L292 Y295 L299 Y309	F236-I281 HydrophobicContact CD1-CD1 4.06Å; F236-I281 HydrophobicContact CE1-CD1 4.01Å; V262-I281 HydrophobicContact CG1-CD1 3.88Å; V262-I281 HydrophobicContact CG1-CG1 3.85Å; P263-I281 PolarHBondContact O-N 2.84Å; I264-I281 CarbonylContact C-O 3.51Å; I264-I281 VanDerWaalsContact CA-O 3.32Å; I264-I281 WeakPolarHBondContact CA-O 3.5Å; I264-I281 HydrophobicContact CG1-CB 4.37Å; V265-I281 PolarHBondContact N-O 3.38Å; I281-F286 HydrophobicContact CG2-CE2 3.59Å; I281-F286 HydrophobicContact CG2-CZ 3.98Å; I281-L292 HydrophobicContact CG2-CD1 3.66Å; I281-Y295 HydrophobicContact CD1-CD1 4.3Å; I281-Y295 HydrophobicContact CD1-CE1 4.08Å; I281-Y295 HydrophobicContact CG1-CE1 4.2Å; I281-Y295 HydrophobicContact CG2-CD1 4.38Å; I281-Y295 HydrophobicContact CG2-CE1 4.48Å; I281-L299 HydrophobicContact CD1-CD1 3.6Å; I281-L299 HydrophobicContact CG1-CD1 4.48Å; I281-Y309 HydrophobicContact CG1-CD1 4.39Å; I281-Y309 HydrophobicContact CG1-CE1 3.62Å
282	A	98.6	Very high	97	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.6	174.9	0	0	0	0	0	111.1	V265 R268 F280 D284 D285 F286	V265-A282 HydrophobicContact CG2-CB 3.92Å; V265-A282 CarbonylContact O-C 3.51Å; V265-A282 WeakPolarHBondContact O-CA 3.3Å; R268-A282 HydrophobicContact CB-CB 3.63Å; F280-A282 HydrophobicContact CD2-CB 4.45Å; F280-A282 HydrophobicContact CE2-CB 4.21Å; A282-D284 VanDerWaalsContact CB-OD1 3.27Å; A282-D284 WeakPolarHBondContact CB-OD1 3.34Å; A282-D284 PolarHBondContact O-N 2.73Å; A282-D285 WeakPolarHBondContact CB-OD2 3.41Å; A282-D285 PolarHBondContact N-OD2 3.39Å; A282-D285 WeakPolarHBondContact O-CB 3.45Å; A282-D285 PolarHBondContact O-N 2.93Å; A282-D285 VanDerWaalsContact O-N 3.1Å; A282-F286 VanDerWaalsContact O-CD2 3.28Å; A282-F286 WeakPolarHBondContact O-CD2 3.48Å; A282-F286 VanDerWaalsContact O-CE2 3.23Å; A282-F286 WeakPolarHBondContact O-CE2 3.35Å
283	A	98.5	Very high	97.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61.4	-30.5	179.5	0	0	0	0	0	112.1	Y192 F240 V265 D285 F286 L292 L372	Y192-A283 HydrophobicContact CE1-CB 4.08Å; Y192-A283 HydrophobicContact CE2-CB 4.39Å; F240-A283 HydrophobicContact CE1-CB 4.29Å; F240-A283 HydrophobicContact CZ-CB 4.12Å; V265-A283 WeakPolarHBondContact O-CB 3.22Å; V265-A283 PolarHBondContact O-N 2.81Å; A283-D285 PolarHBondContact O-N 3.4Å; A283-F286 PolarHBondContact O-N 3.04Å; A283-L292 HydrophobicContact CB-CD2 4.34Å; A283-L372 HydrophobicContact CB-CD1 3.95Å
284	D	97.7	Very high	97.3	Very high	23 Å²	23	42.5 Å²	42.5	12%	0.123	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-78	1.2	177.1	71.6	-28	0	0	0	115.1	M266 K267 R268 A282 F286 Y368 L372 R375	M266-D284 PolarHBondContact O-N 2.98Å; K267-D284 WeakPolarHBondContact CA-OD1 3.42Å; K267-D284 WeakPolarHBondContact CA-OD2 3.47Å; K267-D284 WeakPolarHBondContact CG-OD2 3.36Å; K267-D284 IonicContact NZ-OD2 2.93Å; R268-D284 PolarHBondContact N-OD1 3.31Å; R268-D284 PolarHBondContact N-OD2 3.06Å; A282-D284 VanDerWaalsContact CB-OD1 3.27Å; A282-D284 WeakPolarHBondContact CB-OD1 3.34Å; A282-D284 PolarHBondContact O-N 2.73Å; D284-F286 VanDerWaalsContact C-N 3.27Å; D284-Y368 WeakPolarHBondContact CB-OH 3.48Å; D284-Y368 PolarHBondContact OD2-OH 2.72Å; D284-Y368 VanDerWaalsContact OD2-OH 3.05Å; D284-L372 HydrophobicContact CB-CD2 3.74Å; D284-R375 PolarHBondContact O-NH1 3.26Å
285	D	97.7	Very high	97.5	Very high	76 Å²	76	43.9 Å²	43.9	41%	0.406	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-79.2	-13	166.9	-61.9	-34.1	0	0	0	112.7	R268 A282 A283	R268-D285 WeakPolarHBondContact CD-OD1 3.41Å; R268-D285 IonicContact CZ-OD1 2.86Å; R268-D285 IonicContact CZ-OD2 2.8Å; R268-D285 VanDerWaalsContact CZ-OD2 3.27Å; R268-D285 VanDerWaalsContact NE-CG 3.33Å; R268-D285 IonicContact NE-OD1 3.52Å; R268-D285 PolarHBondContact NE-OD1 3.38Å; R268-D285 IonicContact NE-OD2 3.38Å; R268-D285 PolarHBondContact NE-OD2 2.7Å; R268-D285 VanDerWaalsContact NE-OD2 3.08Å; R268-D285 IonicContact NH2-OD1 2.89Å; R268-D285 IonicContact NH2-OD2 3.72Å; R268-D285 PolarHBondContact NH2-OD2 3.43Å; A282-D285 WeakPolarHBondContact CB-OD2 3.41Å; A282-D285 PolarHBondContact N-OD2 3.39Å; A282-D285 WeakPolarHBondContact O-CB 3.45Å; A282-D285 PolarHBondContact O-N 2.93Å; A282-D285 VanDerWaalsContact O-N 3.1Å; A283-D285 PolarHBondContact O-N 3.4Å
286	F	97.8	Very high	97.6	Very high	28 Å²	28	43.7 Å²	43.7	12%	0.123	21%	0.212	C	C	.	.	S	Bend	trans	-111.5	149.7	-174	-55.9	-86.1	0	0	0	110.9	I281 A282 A283 D284 S288 E291 L292 Y295	I281-F286 HydrophobicContact CG2-CE2 3.59Å; I281-F286 HydrophobicContact CG2-CZ 3.98Å; A282-F286 VanDerWaalsContact O-CD2 3.28Å; A282-F286 WeakPolarHBondContact O-CD2 3.48Å; A282-F286 VanDerWaalsContact O-CE2 3.23Å; A282-F286 WeakPolarHBondContact O-CE2 3.35Å; A283-F286 PolarHBondContact O-N 3.04Å; D284-F286 VanDerWaalsContact C-N 3.27Å; F286-S288 VanDerWaalsContact C-N 3.29Å; F286-E291 HydrophobicContact CB-CB 4.11Å; F286-E291 HydrophobicContact CD1-CB 4.19Å; F286-L292 HydrophobicContact CB-CB 4.24Å; F286-L292 HydrophobicContact CD1-CB 4.41Å; F286-L292 HydrophobicContact CD2-CB 3.92Å; F286-L292 HydrophobicContact CD2-CD1 3.74Å; F286-L292 HydrophobicContact CD2-CG 4.35Å; F286-L292 HydrophobicContact CE2-CB 4.47Å; F286-L292 HydrophobicContact CE2-CD1 3.49Å; F286-L292 VanDerWaalsContact CE2-CD1 3.49Å; F286-L292 HydrophobicContact CG-CB 3.9Å; F286-L292 HydrophobicContact CG-CD1 4.45Å; F286-L292 HydrophobicContact CZ-CD1 4Å; F286-Y295 VanDerWaalsContact CE1-CB 3.42Å; F286-Y295 AromaticContact CE1-CD1 3.84Å; F286-Y295 HydrophobicContact CE1-CD1 3.84Å; F286-Y295 HydrophobicContact CE1-CD2 4.33Å; F286-Y295 AromaticContact CE1-CG 3.6Å; F286-Y295 HydrophobicContact CE1-CG 3.6Å; F286-Y295 HydrophobicContact CE2-CD1 4.5Å; F286-Y295 AromaticContact CZ-CD1 3.4Å; F286-Y295 HydrophobicContact CZ-CD1 3.4Å; F286-Y295 VanDerWaalsContact CZ-CD1 3.4Å; F286-Y295 HydrophobicContact CZ-CE1 4.07Å; F286-Y295 AromaticContact CZ-CG 3.7Å; F286-Y295 HydrophobicContact CZ-CG 3.7Å
287	K	96.8	Very high	97.7	Very high	133 Å²	133	46 Å²	46	58%	0.578	22%	0.223	S	C	*	.	S	Bend	trans	-74	-24.4	178.1	-59.8	-179.4	177.7	-177.5	0	112.5	E291	K287-E291 VanDerWaalsContact CB-OE2 3.27Å; K287-E291 WeakPolarHBondContact CB-OE2 3.39Å; K287-E291 WeakPolarHBondContact CG-OE2 3.36Å; K287-E291 PolarHBondContact N-OE2 2.77Å
288	S	97.5	Very high	97.9	Very high	32 Å²	32	43.1 Å²	43.1	22%	0.224	21%	0.208	C	C	.	.	S	Bend	trans	-155.3	161.6	-179.5	64.5	0	0	0	0	112.2	F286 K290 E291 L292	F286-S288 VanDerWaalsContact C-N 3.29Å; S288-K290 PolarHBondContact O-N 2.87Å; S288-E291 PolarHBondContact O-N 2.95Å; S288-E291 PolarHBondContact OG-N 3.11Å; S288-L292 PolarHBondContact O-N 2.79Å
289	P	98.3	Very high	98.1	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.013	19%	0.191	C	C	.	.	H	α-helix	trans	-53.7	-32.5	169.7	-26.6	34.3	0	0	0	113.5	Y192 E195 L196 L292 A293 I373	Y192-P289 HydrophobicContact CD2-CG 4.03Å; Y192-P289 HydrophobicContact CE1-CB 4.49Å; Y192-P289 HydrophobicContact CE1-CG 4.45Å; Y192-P289 HydrophobicContact CE2-CB 4.42Å; Y192-P289 HydrophobicContact CE2-CG 3.62Å; E195-P289 HydrophobicContact CB-CB 4.45Å; E195-P289 HydrophobicContact CB-CG 4.1Å; E195-P289 HydrophobicContact CG-CB 4.09Å; E195-P289 HydrophobicContact CG-CG 3.74Å; L196-P289 HydrophobicContact CB-CB 4.15Å; L196-P289 HydrophobicContact CD1-CB 4.26Å; L196-P289 WeakPolarHBondContact CD1-O 3.38Å; P289-L292 PolarHBondContact O-N 2.78Å; P289-A293 WeakPolarHBondContact O-CB 3.5Å; P289-A293 PolarHBondContact O-N 3.08Å; P289-I373 WeakPolarHBondContact CD-O 3.16Å; P289-I373 HydrophobicContact CG-CG1 4.41Å
290	K	98.2	Very high	98.1	Very high	104 Å²	104	43.2 Å²	43.2	45%	0.452	20%	0.2	S	C	.	.	H	α-helix	trans	-65.3	-38	176.5	-173.6	176.2	-174.1	174.8	0	112.6	Y199 S288 A293 K294	Y199-K290 HydrophobicContact CD1-CB 4.01Å; Y199-K290 HydrophobicContact CD1-CD 3.92Å; Y199-K290 HydrophobicContact CD1-CG 3.69Å; Y199-K290 HydrophobicContact CD2-CB 3.83Å; Y199-K290 HydrophobicContact CD2-CG 4.39Å; Y199-K290 HydrophobicContact CE1-CB 4.06Å; Y199-K290 HydrophobicContact CE1-CD 3.73Å; Y199-K290 HydrophobicContact CE1-CG 3.94Å; Y199-K290 HydrophobicContact CE2-CB 3.9Å; Y199-K290 HydrophobicContact CG-CB 3.89Å; Y199-K290 HydrophobicContact CG-CG 3.93Å; S288-K290 PolarHBondContact O-N 2.87Å; K290-A293 PolarHBondContact O-N 3.44Å; K290-K294 WeakPolarHBondContact O-CG 3.32Å; K290-K294 PolarHBondContact O-N 3.38Å; K290-K294 VanDerWaalsContact O-N 3.07Å
291	E	98.1	Very high	98	Very high	77 Å²	77	46.4 Å²	46.4	36%	0.36	23%	0.233	S	C	.	.	H	α-helix	trans	-70.4	-40.6	175.6	-74.3	-172.5	174.8	0	0	111.8	F286 K287 S288 A293 K294 Y295	F286-E291 HydrophobicContact CB-CB 4.11Å; F286-E291 HydrophobicContact CD1-CB 4.19Å; K287-E291 VanDerWaalsContact CB-OE2 3.27Å; K287-E291 WeakPolarHBondContact CB-OE2 3.39Å; K287-E291 WeakPolarHBondContact CG-OE2 3.36Å; K287-E291 PolarHBondContact N-OE2 2.77Å; S288-E291 PolarHBondContact O-N 2.95Å; S288-E291 PolarHBondContact OG-N 3.11Å; E291-A293 VanDerWaalsContact C-N 3.3Å; E291-A293 PolarHBondContact O-N 2.87Å; E291-K294 PolarHBondContact O-N 2.99Å; E291-Y295 PolarHBondContact O-N 3.05Å
292	L	98.5	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-44.2	171.7	173.7	62.2	0	0	0	111	Y192 L196 I264 I281 A283 F286 S288 P289 K294 Y295 I296	Y192-L292 HydrophobicContact CE1-CD2 3.89Å; Y192-L292 WeakPolarHBondContact OH-CD2 3.42Å; L196-L292 HydrophobicContact CD1-CD2 4.31Å; L196-L292 HydrophobicContact CD1-CG 4.39Å; L196-L292 HydrophobicContact CD2-CD2 4.3Å; I264-L292 HydrophobicContact CG2-CD1 4.49Å; I264-L292 HydrophobicContact CG2-CD2 4.1Å; I281-L292 HydrophobicContact CG2-CD1 3.66Å; A283-L292 HydrophobicContact CB-CD2 4.34Å; F286-L292 HydrophobicContact CB-CB 4.24Å; F286-L292 HydrophobicContact CD1-CB 4.41Å; F286-L292 HydrophobicContact CD2-CB 3.92Å; F286-L292 HydrophobicContact CD2-CD1 3.74Å; F286-L292 HydrophobicContact CD2-CG 4.35Å; F286-L292 HydrophobicContact CE2-CB 4.47Å; F286-L292 HydrophobicContact CE2-CD1 3.49Å; F286-L292 VanDerWaalsContact CE2-CD1 3.49Å; F286-L292 HydrophobicContact CG-CB 3.9Å; F286-L292 HydrophobicContact CG-CD1 4.45Å; F286-L292 HydrophobicContact CZ-CD1 4Å; S288-L292 PolarHBondContact O-N 2.79Å; P289-L292 PolarHBondContact O-N 2.78Å; L292-K294 PolarHBondContact O-N 3.06Å; L292-Y295 PolarHBondContact O-N 2.99Å; L292-I296 HydrophobicContact CD1-CD1 4Å; L292-I296 HydrophobicContact CD1-CG1 4.22Å; L292-I296 HydrophobicContact CG-CD1 3.93Å; L292-I296 WeakPolarHBondContact O-CG1 3.34Å; L292-I296 PolarHBondContact O-N 3.28Å
293	A	98.7	Very high	97.8	Very high	3 Å²	3	50.7 Å²	50.7	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-57.8	-47.2	175.7	0	0	0	0	0	112.4	L196 L200 P289 K290 E291 Y295 I296 D297	L196-A293 HydrophobicContact CD1-CB 3.98Å; L200-A293 HydrophobicContact CB-CB 3.87Å; P289-A293 WeakPolarHBondContact O-CB 3.5Å; P289-A293 PolarHBondContact O-N 3.08Å; K290-A293 PolarHBondContact O-N 3.44Å; E291-A293 VanDerWaalsContact C-N 3.3Å; E291-A293 PolarHBondContact O-N 2.87Å; A293-Y295 VanDerWaalsContact C-N 3.29Å; A293-Y295 PolarHBondContact O-N 2.67Å; A293-I296 PolarHBondContact O-N 3.07Å; A293-D297 PolarHBondContact O-N 2.85Å
294	K	98.5	Very high	97.6	Very high	136 Å²	136	54.6 Å²	54.6	59%	0.591	28%	0.28	S	S	*	.	H	α-helix	trans	-59	-40.2	175.3	-73.1	177.6	178.6	-176.5	0	112.3	K290 E291 L292 D297 Y298	K290-K294 WeakPolarHBondContact O-CG 3.32Å; K290-K294 PolarHBondContact O-N 3.38Å; K290-K294 VanDerWaalsContact O-N 3.07Å; E291-K294 PolarHBondContact O-N 2.99Å; L292-K294 PolarHBondContact O-N 3.06Å; K294-D297 PolarHBondContact O-N 2.8Å; K294-Y298 PolarHBondContact O-N 3.14Å
295	Y	98.7	Very high	97.6	Very high	68 Å²	68	54.4 Å²	54.4	27%	0.267	28%	0.282	S	S	.	.	H	α-helix	trans	-68.5	-39.3	178.6	-174.3	-110.7	0	0	0	112.4	I281 F286 E291 L292 A293 D297 Y298 L299 Y309	I281-Y295 HydrophobicContact CD1-CD1 4.3Å; I281-Y295 HydrophobicContact CD1-CE1 4.08Å; I281-Y295 HydrophobicContact CG1-CE1 4.2Å; I281-Y295 HydrophobicContact CG2-CD1 4.38Å; I281-Y295 HydrophobicContact CG2-CE1 4.48Å; F286-Y295 VanDerWaalsContact CE1-CB 3.42Å; F286-Y295 AromaticContact CE1-CD1 3.84Å; F286-Y295 HydrophobicContact CE1-CD1 3.84Å; F286-Y295 HydrophobicContact CE1-CD2 4.33Å; F286-Y295 AromaticContact CE1-CG 3.6Å; F286-Y295 HydrophobicContact CE1-CG 3.6Å; F286-Y295 HydrophobicContact CE2-CD1 4.5Å; F286-Y295 AromaticContact CZ-CD1 3.4Å; F286-Y295 HydrophobicContact CZ-CD1 3.4Å; F286-Y295 VanDerWaalsContact CZ-CD1 3.4Å; F286-Y295 HydrophobicContact CZ-CE1 4.07Å; F286-Y295 AromaticContact CZ-CG 3.7Å; F286-Y295 HydrophobicContact CZ-CG 3.7Å; E291-Y295 PolarHBondContact O-N 3.05Å; L292-Y295 PolarHBondContact O-N 2.99Å; A293-Y295 VanDerWaalsContact C-N 3.29Å; A293-Y295 PolarHBondContact O-N 2.67Å; Y295-D297 VanDerWaalsContact C-N 3.3Å; Y295-D297 PolarHBondContact O-N 2.99Å; Y295-Y298 AromaticContact CD2-CD1 4Å; Y295-Y298 HydrophobicContact CD2-CD1 4Å; Y295-Y298 AromaticContact CE2-CD1 3.85Å; Y295-Y298 HydrophobicContact CE2-CD1 3.85Å; Y295-Y298 HydrophobicContact CE2-CE1 4.13Å; Y295-Y298 WeakPolarHBondContact O-CB 3.39Å; Y295-Y298 PolarHBondContact O-N 3.38Å; Y295-L299 HydrophobicContact CD1-CD1 4Å; Y295-L299 HydrophobicContact CD1-CG 4.42Å; Y295-L299 HydrophobicContact CE1-CD1 3.46Å; Y295-L299 VanDerWaalsContact CE1-CD1 3.46Å; Y295-L299 HydrophobicContact CE1-CG 4.02Å; Y295-L299 HydrophobicContact CE2-CG 4.43Å; Y295-L299 WeakPolarHBondContact O-CG 3.45Å; Y295-L299 PolarHBondContact O-N 2.79Å; Y295-Y309 WeakPolarHBondContact CE1-OH 3.41Å; Y295-Y309 PolarHBondContact OH-OH 2.98Å
296	I	98.6	Very high	97.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-40.9	172.7	-68.5	164.8	0	0	0	110.6	V176 L200 F236 I264 L292 A293 L299 N300	V176-I296 HydrophobicContact CG2-CD1 4.3Å; V176-I296 HydrophobicContact CG2-CG2 3.97Å; L200-I296 HydrophobicContact CD1-CG2 4.4Å; L200-I296 HydrophobicContact CD2-CB 4.02Å; L200-I296 HydrophobicContact CD2-CD1 3.52Å; L200-I296 HydrophobicContact CD2-CG1 4.38Å; L200-I296 HydrophobicContact CD2-CG2 3.81Å; F236-I296 HydrophobicContact CD2-CG2 3.71Å; F236-I296 HydrophobicContact CE2-CG2 3.71Å; F236-I296 HydrophobicContact CG-CG2 4.23Å; F236-I296 HydrophobicContact CZ-CG2 4.21Å; I264-I296 HydrophobicContact CD1-CD1 3.61Å; I264-I296 HydrophobicContact CD1-CG1 4.34Å; L292-I296 HydrophobicContact CD1-CD1 4Å; L292-I296 HydrophobicContact CD1-CG1 4.22Å; L292-I296 HydrophobicContact CG-CD1 3.93Å; L292-I296 WeakPolarHBondContact O-CG1 3.34Å; L292-I296 PolarHBondContact O-N 3.28Å; A293-I296 PolarHBondContact O-N 3.07Å; I296-L299 PolarHBondContact O-N 2.88Å; I296-N300 VanDerWaalsContact O-CB 3.29Å; I296-N300 WeakPolarHBondContact O-CB 3.3Å; I296-N300 PolarHBondContact O-N 3.49Å
297	D	98.4	Very high	97.4	Very high	64 Å²	64	49.5 Å²	49.5	34%	0.342	26%	0.256	S	S	.	.	H	α-helix	trans	-65.1	-40.9	175.8	-78.4	-22.1	0	0	0	112.8	K175 A293 K294 Y295 N300 G301	K175-D297 IonicContact NZ-OD1 2.77Å; K175-D297 PolarHBondContact NZ-OD1 2.79Å; A293-D297 PolarHBondContact O-N 2.85Å; K294-D297 PolarHBondContact O-N 2.8Å; Y295-D297 VanDerWaalsContact C-N 3.3Å; Y295-D297 PolarHBondContact O-N 2.99Å; D297-N300 PolarHBondContact O-N 2.83Å; D297-G301 PolarHBondContact O-N 2.91Å
298	Y	98.4	Very high	97.4	Very high	118 Å²	118	47.5 Å²	47.5	46%	0.463	25%	0.249	S	C	.	.	H	α-helix	trans	-57	-52.2	171.9	161.1	-101.8	0	0	0	111.5	K294 Y295 N300 G301 N302 A305	K294-Y298 PolarHBondContact O-N 3.14Å; Y295-Y298 AromaticContact CD2-CD1 4Å; Y295-Y298 HydrophobicContact CD2-CD1 4Å; Y295-Y298 AromaticContact CE2-CD1 3.85Å; Y295-Y298 HydrophobicContact CE2-CD1 3.85Å; Y295-Y298 HydrophobicContact CE2-CE1 4.13Å; Y295-Y298 WeakPolarHBondContact O-CB 3.39Å; Y295-Y298 PolarHBondContact O-N 3.38Å; Y298-N300 VanDerWaalsContact C-N 3.29Å; Y298-N300 PolarHBondContact O-N 3.46Å; Y298-G301 PolarHBondContact O-N 3.3Å; Y298-N302 HydrophobicContact CE2-CB 4.14Å; Y298-N302 WeakPolarHBondContact O-CB 3.32Å; Y298-N302 PolarHBondContact O-N 2.91Å; Y298-N302 PolarHBondContact OH-ND2 3.08Å; Y298-A305 HydrophobicContact CE1-CB 3.99Å
299	L	97.9	Very high	97.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-35.2	178.5	-69	-179.3	0	0	0	112	F236 I281 Y295 I296 G301 N302 A305 Y309	F236-L299 HydrophobicContact CE1-CB 4.08Å; F236-L299 HydrophobicContact CE1-CD1 3.86Å; F236-L299 HydrophobicContact CZ-CB 3.65Å; F236-L299 HydrophobicContact CZ-CD1 4.3Å; I281-L299 HydrophobicContact CD1-CD1 3.6Å; I281-L299 HydrophobicContact CG1-CD1 4.48Å; Y295-L299 HydrophobicContact CD1-CD1 4Å; Y295-L299 HydrophobicContact CD1-CG 4.42Å; Y295-L299 HydrophobicContact CE1-CD1 3.46Å; Y295-L299 VanDerWaalsContact CE1-CD1 3.46Å; Y295-L299 HydrophobicContact CE1-CG 4.02Å; Y295-L299 HydrophobicContact CE2-CG 4.43Å; Y295-L299 WeakPolarHBondContact O-CG 3.45Å; Y295-L299 PolarHBondContact O-N 2.79Å; I296-L299 PolarHBondContact O-N 2.88Å; L299-G301 VanDerWaalsContact C-N 3.28Å; L299-G301 PolarHBondContact O-N 3.49Å; L299-N302 CarbonylContact O-C 3.43Å; L299-N302 PolarHBondContact O-N 3.18Å; L299-A305 HydrophobicContact CD2-CB 3.71Å; L299-Y309 HydrophobicContact CD1-CD2 4.22Å; L299-Y309 HydrophobicContact CD1-CE2 3.58Å; L299-Y309 HydrophobicContact CD2-CE2 3.92Å; L299-Y309 HydrophobicContact CG-CE2 4.43Å
300	N	96.5	Very high	97	Very high	40 Å²	40	47.5 Å²	47.5	21%	0.214	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-36.1	176.4	178.9	66.4	0	0	0	112.3	K175 K235 F236 I296 D297 Y298	K175-N300 WeakPolarHBondContact CE-ND2 3.35Å; K175-N300 HydrophobicContact CG-CB 4.45Å; K235-N300 WeakPolarHBondContact CD-OD1 3.27Å; K235-N300 WeakPolarHBondContact CE-OD1 3.13Å; K235-N300 PolarHBondContact NZ-O 3.12Å; K235-N300 PolarHBondContact NZ-OD1 2.77Å; F236-N300 HydrophobicContact CE2-CB 4.42Å; I296-N300 VanDerWaalsContact O-CB 3.29Å; I296-N300 WeakPolarHBondContact O-CB 3.3Å; I296-N300 PolarHBondContact O-N 3.49Å; D297-N300 PolarHBondContact O-N 2.83Å; Y298-N300 VanDerWaalsContact C-N 3.29Å; Y298-N300 PolarHBondContact O-N 3.46Å
301	G	95.8	Very high	96.8	Very high	68 Å²	68	46.3 Å²	46.3	70%	0.701	24%	0.239	S	C	*	.	H	α-helix	trans	-85.5	-19.6	177	0	0	0	0	0	114.8	D297 Y298 L299	D297-G301 PolarHBondContact O-N 2.91Å; Y298-G301 PolarHBondContact O-N 3.3Å; L299-G301 VanDerWaalsContact C-N 3.28Å; L299-G301 PolarHBondContact O-N 3.49Å
302	N	97.3	Very high	96.7	Very high	56 Å²	56	43.9 Å²	43.9	30%	0.299	23%	0.227	S	C	.	.			trans	-114.4	89.9	-179.4	-171.7	-27.3	0	0	0	111	Y298 L299 T304 A305 Y306	Y298-N302 HydrophobicContact CE2-CB 4.14Å; Y298-N302 WeakPolarHBondContact O-CB 3.32Å; Y298-N302 PolarHBondContact O-N 2.91Å; Y298-N302 PolarHBondContact OH-ND2 3.08Å; L299-N302 CarbonylContact O-C 3.43Å; L299-N302 PolarHBondContact O-N 3.18Å; N302-T304 VanDerWaalsContact C-N 3.27Å; N302-T304 PolarHBondContact O-N 3.39Å; N302-T304 PolarHBondContact OD1-N 3.08Å; N302-A305 HydrophobicContact CB-CB 4.12Å; N302-A305 PolarHBondContact O-N 3.47Å; N302-A305 PolarHBondContact OD1-N 2.57Å; N302-Y306 PolarHBondContact O-N 3.11Å
303	L	94.8	Very high	96.5	Very high	36 Å²	36	44.1 Å²	44.1	19%	0.188	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-32.6	-177.3	-61.4	-173.7	0	0	0	112.9	M166 A169 S170 Y306 I307	M166-L303 HydrophobicContact CE-CB 4.38Å; M166-L303 HydrophobicContact CE-CD1 4.37Å; M166-L303 HydrophobicContact SD-CB 3.8Å; M166-L303 HydrophobicContact SD-CD1 3.9Å; A169-L303 HydrophobicContact CB-CD1 4.44Å; A169-L303 HydrophobicContact CB-CD2 4.11Å; S170-L303 WeakPolarHBondContact OG-CD1 3.46Å; L303-Y306 PolarHBondContact O-N 2.84Å; L303-I307 WeakPolarHBondContact O-CB 3.43Å; L303-I307 VanDerWaalsContact O-CD1 3.3Å; L303-I307 WeakPolarHBondContact O-CD1 3.46Å; L303-I307 WeakPolarHBondContact O-CG1 3.4Å; L303-I307 PolarHBondContact O-N 3.27Å
304	T	95.4	Very high	96.4	Very high	83 Å²	83	45.1 Å²	45.1	51%	0.509	23%	0.232	S	C	.	.	H	α-helix	trans	-62.3	-48.2	176.5	-57.5	0	0	0	0	110.7	N302 Y306 I307 E308	N302-T304 VanDerWaalsContact C-N 3.27Å; N302-T304 PolarHBondContact O-N 3.39Å; N302-T304 PolarHBondContact OD1-N 3.08Å; T304-Y306 VanDerWaalsContact C-N 3.34Å; T304-Y306 PolarHBondContact O-N 3.18Å; T304-I307 PolarHBondContact O-N 2.88Å; T304-E308 PolarHBondContact O-N 3.3Å
305	A	96.9	Very high	96.3	Very high	19 Å²	19	42.2 Å²	42.2	16%	0.157	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-37.9	176.2	0	0	0	0	0	112.3	Y298 L299 N302 E308	Y298-A305 HydrophobicContact CE1-CB 3.99Å; L299-A305 HydrophobicContact CD2-CB 3.71Å; N302-A305 HydrophobicContact CB-CB 4.12Å; N302-A305 PolarHBondContact O-N 3.47Å; N302-A305 PolarHBondContact OD1-N 2.57Å; A305-E308 PolarHBondContact O-N 2.87Å
306	Y	96.9	Very high	96.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-41.4	175.7	175.6	-108	0	0	0	112.6	A169 K235 F236 H260 V262 N302 L303 T304 E308 Y309 Y310	A169-Y306 HydrophobicContact CB-CD1 3.86Å; A169-Y306 HydrophobicContact CB-CE1 4.01Å; K235-Y306 VanDerWaalsContact CA-OH 3.25Å; K235-Y306 WeakPolarHBondContact CA-OH 3.42Å; K235-Y306 HydrophobicContact CB-CE2 3.7Å; K235-Y306 HydrophobicContact CD-CE2 4.49Å; K235-Y306 HydrophobicContact CG-CE1 4.31Å; K235-Y306 HydrophobicContact CG-CE2 4.25Å; K235-Y306 WeakPolarHBondContact O-CE2 2.83Å; K235-Y306 PolarHBondContact O-OH 3.45Å; F236-Y306 AromaticContact CE1-CD2 3.94Å; F236-Y306 HydrophobicContact CE1-CD2 3.94Å; F236-Y306 AromaticContact CE1-CE2 3.96Å; F236-Y306 HydrophobicContact CE1-CE2 3.96Å; F236-Y306 HydrophobicContact CE2-CE2 4.46Å; F236-Y306 AromaticContact CZ-CD2 3.76Å; F236-Y306 HydrophobicContact CZ-CD2 3.76Å; F236-Y306 AromaticContact CZ-CE2 3.92Å; F236-Y306 HydrophobicContact CZ-CE2 3.92Å; H260-Y306 PolarHBondContact O-OH 3.18Å; V262-Y306 HydrophobicContact CB-CE2 4.41Å; V262-Y306 HydrophobicContact CG2-CD2 3.97Å; V262-Y306 HydrophobicContact CG2-CE2 3.48Å; V262-Y306 VanDerWaalsContact CG2-CE2 3.48Å; N302-Y306 PolarHBondContact O-N 3.11Å; L303-Y306 PolarHBondContact O-N 2.84Å; T304-Y306 VanDerWaalsContact C-N 3.34Å; T304-Y306 PolarHBondContact O-N 3.18Å; Y306-E308 VanDerWaalsContact C-N 3.28Å; Y306-E308 PolarHBondContact O-N 3.28Å; Y306-Y309 PolarHBondContact O-N 2.68Å; Y306-Y310 AromaticContact CD1-CE1 3.74Å; Y306-Y310 HydrophobicContact CD1-CE1 3.74Å; Y306-Y310 WeakPolarHBondContact CD1-OH 3.46Å; Y306-Y310 AromaticContact CE1-CE1 3.41Å; Y306-Y310 HydrophobicContact CE1-CE1 3.41Å; Y306-Y310 VanDerWaalsContact CE1-CE1 3.41Å; Y306-Y310 AromaticContact CE1-CZ 3.82Å; Y306-Y310 VanDerWaalsContact CE1-OH 3.31Å; Y306-Y310 WeakPolarHBondContact CE1-OH 3.44Å; Y306-Y310 HydrophobicContact CE2-CE1 4.38Å; Y306-Y310 HydrophobicContact CG-CE1 4.34Å; Y306-Y310 AromaticContact CZ-CE1 3.74Å; Y306-Y310 WeakPolarHBondContact O-CE1 3.49Å
307	I	96.1	Very high	96.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63	-32.4	-179.1	-73	159.4	0	0	0	112.6	L162 W165 M166 A169 L303 T304 Y309 Y310 K311	L162-I307 HydrophobicContact CD1-CD1 4.26Å; L162-I307 HydrophobicContact CD1-CG2 4.22Å; W165-I307 HydrophobicContact CB-CD1 4.21Å; W165-I307 HydrophobicContact CB-CG1 4.14Å; W165-I307 HydrophobicContact CB-CG2 3.65Å; W165-I307 HydrophobicContact CG-CG2 4.03Å; M166-I307 HydrophobicContact CB-CD1 4.36Å; M166-I307 HydrophobicContact SD-CD1 3.81Å; A169-I307 HydrophobicContact CB-CD1 4.28Å; A169-I307 HydrophobicContact CB-CG1 4.06Å; L303-I307 WeakPolarHBondContact O-CB 3.43Å; L303-I307 VanDerWaalsContact O-CD1 3.3Å; L303-I307 WeakPolarHBondContact O-CD1 3.46Å; L303-I307 WeakPolarHBondContact O-CG1 3.4Å; L303-I307 PolarHBondContact O-N 3.27Å; T304-I307 PolarHBondContact O-N 2.88Å; I307-Y309 PolarHBondContact O-N 2.74Å; I307-Y309 VanDerWaalsContact O-N 3.08Å; I307-Y310 HydrophobicContact CB-CE2 4.27Å; I307-Y310 HydrophobicContact CG1-CE2 4.16Å; I307-Y310 WeakPolarHBondContact CG1-OH 3.39Å; I307-Y310 HydrophobicContact CG2-CE2 4.14Å; I307-Y310 PolarHBondContact O-N 3.23Å; I307-K311 HydrophobicContact CG2-CG 4.34Å; I307-K311 PolarHBondContact O-N 2.87Å
308	E	96.5	Very high	95.9	Very high	92 Å²	92	41.7 Å²	41.7	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-55.3	-30.2	177.8	-61.9	-50.8	132.7	0	0	112.5	T304 A305 Y306 Y310 K311	T304-E308 PolarHBondContact O-N 3.3Å; A305-E308 PolarHBondContact O-N 2.87Å; Y306-E308 VanDerWaalsContact C-N 3.28Å; Y306-E308 PolarHBondContact O-N 3.28Å; E308-Y310 PolarHBondContact O-N 3.08Å; E308-K311 VanDerWaalsContact OE1-CE 3.22Å; E308-K311 WeakPolarHBondContact OE1-CE 3.36Å; E308-K311 IonicContact OE1-NZ 2.93Å; E308-K311 PolarHBondContact OE1-NZ 3.4Å; E308-K311 WeakPolarHBondContact OE2-CD 3.24Å; E308-K311 WeakPolarHBondContact OE2-CE 3.1Å; E308-K311 IonicContact OE2-NZ 3.82Å; E308-K311 PolarHBondContact OE2-NZ 3.07Å
309	Y	96.9	Very high	95.7	Very high	30 Å²	30	37.1 Å²	37.1	12%	0.118	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.9	-177	-79.9	-87.5	0	0	0	115.8	V262 G278 F280 I281 Y295 L299 Y306 I307 W312	V262-Y309 HydrophobicContact CG1-CD1 3.53Å; V262-Y309 HydrophobicContact CG1-CE1 4.14Å; V262-Y309 HydrophobicContact CG1-CG 3.75Å; V262-Y309 VanDerWaalsContact CG2-CB 3.42Å; V262-Y309 HydrophobicContact CG2-CG 3.95Å; G278-Y309 VanDerWaalsContact O-CA 3.29Å; G278-Y309 WeakPolarHBondContact O-CA 3.43Å; G278-Y309 WeakPolarHBondContact O-CD1 3.33Å; F280-Y309 WeakPolarHBondContact O-CE1 3.43Å; I281-Y309 HydrophobicContact CG1-CD1 4.39Å; I281-Y309 HydrophobicContact CG1-CE1 3.62Å; Y295-Y309 WeakPolarHBondContact CE1-OH 3.41Å; Y295-Y309 PolarHBondContact OH-OH 2.98Å; L299-Y309 HydrophobicContact CD1-CD2 4.22Å; L299-Y309 HydrophobicContact CD1-CE2 3.58Å; L299-Y309 HydrophobicContact CD2-CE2 3.92Å; L299-Y309 HydrophobicContact CG-CE2 4.43Å; Y306-Y309 PolarHBondContact O-N 2.68Å; I307-Y309 PolarHBondContact O-N 2.74Å; I307-Y309 VanDerWaalsContact O-N 3.08Å; Y309-W312 PolarHBondContact O-NE1 3.24Å
310	Y	90.8	Very high	95.5	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.012	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.1	9.7	179.4	49.1	-98.7	0	0	0	114.3	W165 A169 V262 Y306 I307 E308 W312 K313	W165-Y310 HydrophobicContact CB-CE2 4.27Å; W165-Y310 HydrophobicContact CD2-CD2 4.04Å; W165-Y310 AromaticContact CD2-CE2 3.91Å; W165-Y310 HydrophobicContact CD2-CE2 3.91Å; W165-Y310 AromaticContact CE3-CD2 3.46Å; W165-Y310 HydrophobicContact CE3-CD2 3.46Å; W165-Y310 VanDerWaalsContact CE3-CD2 3.46Å; W165-Y310 AromaticContact CE3-CE2 3.38Å; W165-Y310 HydrophobicContact CE3-CE2 3.38Å; W165-Y310 HydrophobicContact CG-CE2 4.32Å; W165-Y310 HydrophobicContact CH2-CD2 4.34Å; W165-Y310 AromaticContact CZ3-CD2 3.63Å; W165-Y310 HydrophobicContact CZ3-CD2 3.63Å; W165-Y310 HydrophobicContact CZ3-CE2 4.01Å; A169-Y310 WeakPolarHBondContact CB-OH 3.47Å; V262-Y310 HydrophobicContact CG2-CD1 4.39Å; Y306-Y310 AromaticContact CD1-CE1 3.74Å; Y306-Y310 HydrophobicContact CD1-CE1 3.74Å; Y306-Y310 WeakPolarHBondContact CD1-OH 3.46Å; Y306-Y310 AromaticContact CE1-CE1 3.41Å; Y306-Y310 HydrophobicContact CE1-CE1 3.41Å; Y306-Y310 VanDerWaalsContact CE1-CE1 3.41Å; Y306-Y310 AromaticContact CE1-CZ 3.82Å; Y306-Y310 VanDerWaalsContact CE1-OH 3.31Å; Y306-Y310 WeakPolarHBondContact CE1-OH 3.44Å; Y306-Y310 HydrophobicContact CE2-CE1 4.38Å; Y306-Y310 HydrophobicContact CG-CE1 4.34Å; Y306-Y310 AromaticContact CZ-CE1 3.74Å; Y306-Y310 WeakPolarHBondContact O-CE1 3.49Å; I307-Y310 HydrophobicContact CB-CE2 4.27Å; I307-Y310 HydrophobicContact CG1-CE2 4.16Å; I307-Y310 WeakPolarHBondContact CG1-OH 3.39Å; I307-Y310 HydrophobicContact CG2-CE2 4.14Å; I307-Y310 PolarHBondContact O-N 3.23Å; E308-Y310 PolarHBondContact O-N 3.08Å; Y310-W312 PolarHBondContact O-N 2.89Å; Y310-K313 WeakPolarHBondContact O-CB 3.29Å; Y310-K313 WeakPolarHBondContact O-CG 3.39Å; Y310-K313 PolarHBondContact O-N 3.46Å; Y310-K313 VanDerWaalsContact O-N 3.12Å
311	K	92.5	Very high	95.3	Very high	79 Å²	79	37.8 Å²	37.8	34%	0.343	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-60.5	-27.6	169.3	-76	-173.1	-177.7	168.8	0	113.4	I307 E308 K313 D314	I307-K311 HydrophobicContact CG2-CG 4.34Å; I307-K311 PolarHBondContact O-N 2.87Å; E308-K311 VanDerWaalsContact OE1-CE 3.22Å; E308-K311 WeakPolarHBondContact OE1-CE 3.36Å; E308-K311 IonicContact OE1-NZ 2.93Å; E308-K311 PolarHBondContact OE1-NZ 3.4Å; E308-K311 WeakPolarHBondContact OE2-CD 3.24Å; E308-K311 WeakPolarHBondContact OE2-CE 3.1Å; E308-K311 IonicContact OE2-NZ 3.82Å; E308-K311 PolarHBondContact OE2-NZ 3.07Å; K311-K313 PolarHBondContact O-N 3.34Å; K311-D314 PolarHBondContact O-N 3.41Å; K311-D314 VanDerWaalsContact O-N 3.1Å
312	W	95.8	Very high	95.1	Very high	26 Å²	26	35.8 Å²	35.8	10%	0.098	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-54.6	-23.6	175.4	65.2	-96	0	0	0	112.5	L151 V257 P276 Y309 Y310 D314 N315 Y316	L151-W312 HydrophobicContact CD1-CE3 4.24Å; L151-W312 HydrophobicContact CD1-CH2 4.19Å; L151-W312 HydrophobicContact CD1-CZ3 3.75Å; L151-W312 HydrophobicContact CD2-CH2 4.11Å; L151-W312 HydrophobicContact CD2-CZ3 4.03Å; V257-W312 HydrophobicContact CB-CH2 4.05Å; V257-W312 HydrophobicContact CB-CZ2 4.15Å; V257-W312 HydrophobicContact CG2-CH2 4.42Å; P276-W312 HydrophobicContact CB-CB 3.83Å; P276-W312 HydrophobicContact CB-CG 4.12Å; P276-W312 HydrophobicContact CG-CB 4.04Å; P276-W312 HydrophobicContact CG-CD2 3.97Å; P276-W312 HydrophobicContact CG-CE3 3.89Å; P276-W312 HydrophobicContact CG-CG 4.06Å; Y309-W312 PolarHBondContact O-NE1 3.24Å; Y310-W312 PolarHBondContact O-N 2.89Å; W312-D314 PolarHBondContact O-N 3.05Å; W312-N315 PolarHBondContact O-N 3.46Å; W312-Y316 HydrophobicContact CE3-CD2 4.2Å; W312-Y316 HydrophobicContact CE3-CG 4.42Å; W312-Y316 WeakPolarHBondContact O-CD2 3.28Å; W312-Y316 PolarHBondContact O-N 3.31Å; W312-Y316 VanDerWaalsContact O-N 3.13Å
313	K	95.6	Very high	94.8	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.026	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-62.5	-21.3	178.3	-65.7	-172.3	167.7	-63.3	0	115	R154 W165 V257 E258 Y310 K311 N315 Y316	R154-K313 PolarHBondContact NE-O 3.42Å; W165-K313 HydrophobicContact CH2-CB 4.08Å; W165-K313 HydrophobicContact CH2-CD 4.39Å; V257-K313 VanDerWaalsContact C-NZ 3.29Å; V257-K313 WeakPolarHBondContact O-CE 3.31Å; V257-K313 PolarHBondContact O-NZ 3.38Å; E258-K313 IonicContact OE1-NZ 2.78Å; E258-K313 IonicContact OE2-NZ 2.86Å; E258-K313 PolarHBondContact OE2-NZ 2.91Å; Y310-K313 WeakPolarHBondContact O-CB 3.29Å; Y310-K313 WeakPolarHBondContact O-CG 3.39Å; Y310-K313 PolarHBondContact O-N 3.46Å; Y310-K313 VanDerWaalsContact O-N 3.12Å; K311-K313 PolarHBondContact O-N 3.34Å; K313-N315 PolarHBondContact O-N 3.32Å; K313-Y316 CarbonylContact C-O 3.55Å
314	D	95.9	Very high	94.8	Very high	23 Å²	23	32 Å²	32	12%	0.123	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-66.9	-25.2	172.3	-81.5	-8.7	0	0	0	111.6	P157 L158 T160 K311 W312	P157-D314 CarbonylContact C-O 3.53Å; P157-D314 WeakPolarHBondContact CA-O 3.37Å; L158-D314 HydrophobicContact CB-CB 4.27Å; L158-D314 PolarHBondContact N-O 3.5Å; L158-D314 WeakPolarHBondContact O-CB 3.19Å; T160-D314 WeakPolarHBondContact CB-OD1 3.13Å; T160-D314 PolarHBondContact N-OD1 2.89Å; T160-D314 PolarHBondContact N-OD2 2.82Å; T160-D314 VanDerWaalsContact N-OD2 3.08Å; T160-D314 PolarHBondContact OG1-OD1 2.84Å; K311-D314 PolarHBondContact O-N 3.41Å; K311-D314 VanDerWaalsContact O-N 3.1Å; W312-D314 PolarHBondContact O-N 3.05Å
315	N	96.9	Very high	94.8	Very high	75 Å²	75	28.1 Å²	28.1	40%	0.401	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-20.7	-177.8	-60.1	-62	0	0	0	113.5	L153 R154 W312 K313	L153-N315 WeakPolarHBondContact CA-O 3.44Å; R154-N315 PolarHBondContact N-O 3.21Å; W312-N315 PolarHBondContact O-N 3.46Å; K313-N315 PolarHBondContact O-N 3.32Å
316	Y	97.1	Very high	94.8	Very high	53 Å²	53	28.1 Å²	28.1	21%	0.208	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.6	-176.3	-54.4	-93.4	0	0	0	112.4	L151 K152 L153 R154 P276 W312 K313	L151-Y316 HydrophobicContact CB-CD1 4.25Å; K152-Y316 CarbonylContact O-C 3.45Å; K152-Y316 VanDerWaalsContact O-CA 3.22Å; K152-Y316 WeakPolarHBondContact O-CA 3.42Å; L153-Y316 HydrophobicContact CD2-CD1 3.77Å; L153-Y316 HydrophobicContact CD2-CE1 3.27Å; L153-Y316 HydrophobicContact CD2-CE2 4.43Å; L153-Y316 HydrophobicContact CG-CD1 4.2Å; L153-Y316 HydrophobicContact CG-CE1 3.84Å; R154-Y316 PolarHBondContact NE-O 3Å; R154-Y316 VanDerWaalsContact NE-O 3.11Å; P276-Y316 HydrophobicContact CB-CE2 4.5Å; P276-Y316 HydrophobicContact CG-CD2 3.99Å; P276-Y316 HydrophobicContact CG-CE2 4.09Å; W312-Y316 HydrophobicContact CE3-CD2 4.2Å; W312-Y316 HydrophobicContact CE3-CG 4.42Å; W312-Y316 WeakPolarHBondContact O-CD2 3.28Å; W312-Y316 PolarHBondContact O-N 3.31Å; W312-Y316 VanDerWaalsContact O-N 3.13Å; K313-Y316 CarbonylContact C-O 3.55Å
317	E	95.5	Very high	94.8	Very high	54 Å²	54	30.3 Å²	30.3	25%	0.252	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.9	166.4	57.1	-178.8	145.6	0	0	109.5	L151 K152 R154 E258	L151-E317 WeakPolarHBondContact CA-O 3.36Å; K152-E317 HydrophobicContact CD-CG 3.84Å; K152-E317 VanDerWaalsContact CE-CG 3.48Å; K152-E317 WeakPolarHBondContact CE-OE1 3.38Å; K152-E317 WeakPolarHBondContact CE-OE2 3.36Å; K152-E317 HydrophobicContact CG-CG 3.33Å; K152-E317 PolarHBondContact N-O 3.45Å; K152-E317 IonicContact NZ-OE1 3.02Å; K152-E317 PolarHBondContact NZ-OE1 3Å; K152-E317 IonicContact NZ-OE2 3.4Å; K152-E317 PolarHBondContact NZ-OE2 2.89Å; K152-E317 PolarHBondContact O-N 3.34Å; R154-E317 HydrophobicContact CG-CB 4.31Å; R154-E317 HydrophobicContact CG-CG 4.22Å; E258-E317 WeakPolarHBondContact OE1-CA 3.45Å
318	A	94.9	Very high	94.9	Very high	15 Å²	15	30.3 Å²	30.3	12%	0.124	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	141	177.9	0	0	0	0	0	112.2	L151 V257 E258	L151-A318 HydrophobicContact CD2-CB 3.65Å; V257-A318 HydrophobicContact CG2-CB 3.46Å; V257-A318 VanDerWaalsContact CG2-CB 3.46Å; E258-A318 HydrophobicContact CG-CB 3.95Å; E258-A318 PolarHBondContact OE1-N 3.23Å
319	V	94.8	Very high	95	Very high	22 Å²	22	25.9 Å²	25.9	13%	0.133	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	108.3	160.6	179.5	0	0	0	0	106.7	G149 Y150 K152	G149-V319 CarbonylContact C-O 3.38Å; G149-V319 WeakPolarHBondContact CA-O 3.37Å; Y150-V319 HydrophobicContact CD1-CB 3.99Å; Y150-V319 HydrophobicContact CD1-CG1 4.25Å; Y150-V319 HydrophobicContact CD2-CB 4.29Å; Y150-V319 HydrophobicContact CD2-CG2 4.24Å; Y150-V319 HydrophobicContact CE1-CB 3.63Å; Y150-V319 HydrophobicContact CE1-CG1 3.55Å; Y150-V319 HydrophobicContact CE1-CG2 4.13Å; Y150-V319 HydrophobicContact CE2-CB 3.97Å; Y150-V319 HydrophobicContact CE2-CG2 3.64Å; Y150-V319 HydrophobicContact CG-CB 4.3Å; Y150-V319 PolarHBondContact N-O 3.02Å; Y150-V319 VanDerWaalsContact N-O 3.08Å; Y150-V319 PolarHBondContact O-N 2.83Å; K152-V319 HydrophobicContact CD-CG2 4.19Å; K152-V319 HydrophobicContact CG-CG2 4.3Å
320	P	93.3	Very high	95.1	Very high	33 Å²	33	25.6 Å²	25.6	21%	0.214	13%	0.134	C	C	.	.			trans	-75.5	172.2	-176.8	34.4	-38.3	0	0	0	111.4	N255 G323	N255-P320 WeakPolarHBondContact OD1-CB 3.29Å; P320-G323 WeakPolarHBondContact O-CA 3.35Å; P320-G323 PolarHBondContact O-N 2.84Å
321	F	91.4	Very high	95.5	Very high	21 Å²	21	29.4 Å²	29.4	9%	0.092	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	138.7	167.1	-177.1	-91.6	0	0	0	110.2	Y52 F148 E251 N255 Y325	Y52-F321 HydrophobicContact CE1-CZ 4.33Å; F148-F321 HydrophobicContact CB-CD2 4.38Å; F148-F321 AromaticContact CD1-CD2 3.9Å; F148-F321 HydrophobicContact CD1-CD2 3.9Å; F148-F321 HydrophobicContact CD1-CE2 4.13Å; F148-F321 WeakPolarHBondContact O-CA 3.5Å; F148-F321 VanDerWaalsContact O-CB 3.28Å; F148-F321 WeakPolarHBondContact O-CB 3.45Å; F148-F321 PolarHBondContact O-N 3.45Å; E251-F321 HydrophobicContact CB-CB 3.53Å; E251-F321 HydrophobicContact CB-CG 4.03Å; N255-F321 WeakPolarHBondContact OD1-CB 3.45Å; N255-F321 PolarHBondContact OD1-N 2.91Å; F321-Y325 AromaticContact CE2-CE2 3.74Å; F321-Y325 HydrophobicContact CE2-CE2 3.74Å; F321-Y325 AromaticContact CE2-CZ 3.6Å; F321-Y325 WeakPolarHBondContact CE2-OH 3.34Å; F321-Y325 AromaticContact CZ-CE2 3.72Å; F321-Y325 HydrophobicContact CZ-CE2 3.72Å; F321-Y325 AromaticContact CZ-CZ 3.86Å; F321-Y325 WeakPolarHBondContact CZ-OH 3.37Å
322	P	91.4	Very high	95.8	Very high	25 Å²	25	25.7 Å²	25.7	16%	0.162	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94	23.2	7.9	37	-36.1	0	0	0	115.4	Y61 A219 G324 Y325	Y61-P322 HydrophobicContact CE1-CB 4.45Å; Y61-P322 HydrophobicContact CE1-CG 4.43Å; Y61-P322 VanDerWaalsContact OH-CG 3.29Å; Y61-P322 WeakPolarHBondContact OH-CG 3.49Å; A219-P322 HydrophobicContact CB-CG 4.13Å; P322-G324 PolarHBondContact O-N 3.42Å; P322-G324 VanDerWaalsContact O-N 3.07Å; P322-Y325 HydrophobicContact CB-CD2 3.6Å; P322-Y325 HydrophobicContact CB-CE2 3.67Å; P322-Y325 WeakPolarHBondContact O-CD2 3.44Å; P322-Y325 PolarHBondContact O-N 3.24Å
323	G	92	Very high	95.9	Very high	13 Å²	13	24.4 Å²	24.4	13%	0.134	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.6	-170.2	0	0	0	0	0	115.8	P320 Y325 H326	P320-G323 WeakPolarHBondContact O-CA 3.35Å; P320-G323 PolarHBondContact O-N 2.84Å; G323-Y325 PolarHBondContact O-N 3.02Å; G323-H326 WeakPolarHBondContact O-CB 3.44Å; G323-H326 PolarHBondContact O-CD2 3.03Å; G323-H326 PolarHBondContact O-N 3.04Å
324	G	95	Very high	96	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-69.3	-16.3	175.3	0	0	0	0	0	114.9	P147 P322 H326 I327 G328	P147-G324 VanDerWaalsContact O-CA 3.27Å; P147-G324 WeakPolarHBondContact O-CA 3.45Å; P322-G324 PolarHBondContact O-N 3.42Å; P322-G324 VanDerWaalsContact O-N 3.07Å; G324-H326 PolarHBondContact O-N 2.88Å; G324-I327 WeakPolarHBondContact O-CB 3.41Å; G324-I327 PolarHBondContact O-N 3.33Å; G324-G328 PolarHBondContact O-N 2.87Å; G324-G328 VanDerWaalsContact O-N 3.07Å
325	Y	95.4	Very high	96.1	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-27.6	171	-67.7	-38.1	0	0	0	112.8	Y52 A55 I57 Y61 F111 M113 C146 F321 P322 G323 I327 G328 M329	Y52-Y325 HydrophobicContact CD1-CE2 4.39Å; Y52-Y325 HydrophobicContact CE1-CE2 4.12Å; Y52-Y325 AromaticContact CE1-CZ 3.72Å; Y52-Y325 WeakPolarHBondContact CE1-OH 3.49Å; Y52-Y325 PolarHBondContact OH-OH 2.65Å; A55-Y325 HydrophobicContact CB-CD2 4.4Å; A55-Y325 HydrophobicContact CB-CE2 3.81Å; I57-Y325 HydrophobicContact CD1-CD1 4.11Å; I57-Y325 HydrophobicContact CD1-CD2 4.43Å; I57-Y325 HydrophobicContact CD1-CE1 4.18Å; I57-Y325 HydrophobicContact CD1-CE2 4.48Å; I57-Y325 HydrophobicContact CD1-CG 4.31Å; I57-Y325 HydrophobicContact CG1-CD2 4.35Å; Y61-Y325 HydrophobicContact CD1-CG 4.44Å; Y61-Y325 AromaticContact CE1-CD2 3.92Å; Y61-Y325 HydrophobicContact CE1-CD2 3.92Å; Y61-Y325 HydrophobicContact CE1-CG 4.26Å; Y61-Y325 HydrophobicContact CE2-CD2 4.43Å; Y61-Y325 AromaticContact CZ-CD2 3.86Å; F111-Y325 HydrophobicContact CE2-CE1 4.44Å; F111-Y325 HydrophobicContact CZ-CD1 4.36Å; F111-Y325 AromaticContact CZ-CE1 3.8Å; F111-Y325 HydrophobicContact CZ-CE1 3.8Å; M113-Y325 HydrophobicContact CE-CE1 4.14Å; M113-Y325 HydrophobicContact CG-CE1 4.13Å; M113-Y325 HydrophobicContact SD-CE1 4.12Å; C146-Y325 WeakPolarHBondContact SG-CD1 3.32Å; F321-Y325 AromaticContact CE2-CE2 3.74Å; F321-Y325 HydrophobicContact CE2-CE2 3.74Å; F321-Y325 AromaticContact CE2-CZ 3.6Å; F321-Y325 WeakPolarHBondContact CE2-OH 3.34Å; F321-Y325 AromaticContact CZ-CE2 3.72Å; F321-Y325 HydrophobicContact CZ-CE2 3.72Å; F321-Y325 AromaticContact CZ-CZ 3.86Å; F321-Y325 WeakPolarHBondContact CZ-OH 3.37Å; P322-Y325 HydrophobicContact CB-CD2 3.6Å; P322-Y325 HydrophobicContact CB-CE2 3.67Å; P322-Y325 WeakPolarHBondContact O-CD2 3.44Å; P322-Y325 PolarHBondContact O-N 3.24Å; G323-Y325 PolarHBondContact O-N 3.02Å; Y325-I327 VanDerWaalsContact C-N 3.3Å; Y325-I327 PolarHBondContact O-N 3.41Å; Y325-G328 PolarHBondContact O-N 2.89Å; Y325-M329 WeakPolarHBondContact O-CB 3.32Å; Y325-M329 VanDerWaalsContact O-CG 3.29Å; Y325-M329 WeakPolarHBondContact O-CG 3.3Å; Y325-M329 PolarHBondContact O-N 3.4Å
326	H	96.5	Very high	96.2	Very high	20 Å²	20	24.5 Å²	24.5	9%	0.093	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-42.3	171.2	-69.3	-63	0	0	0	111.8	E60 Y61 K63 Y64 G323 G324 C330	E60-H326 PolarHBondContact O-CE1 2.9Å; Y61-H326 WeakPolarHBondContact CA-ND1 3.23Å; Y61-H326 AromaticContact CD1-CE1 3.66Å; Y61-H326 AromaticContact CD1-ND1 3.84Å; Y61-H326 AromaticContact CD1-NE2 3.89Å; Y61-H326 WeakPolarHBondContact O-CA 3.22Å; Y61-H326 PolarHBondContact O-ND1 3.46Å; K63-H326 WeakPolarHBondContact CE-CE1 3.43Å; Y64-H326 HydrophobicContact CD2-CB 3.83Å; Y64-H326 AromaticContact CD2-CG 3.57Å; Y64-H326 AromaticContact CD2-ND1 3.62Å; Y64-H326 HydrophobicContact CE2-CB 4.27Å; Y64-H326 AromaticContact CE2-CD2 3.63Å; Y64-H326 AromaticContact CE2-CE1 3.87Å; Y64-H326 AromaticContact CE2-CG 3.64Å; Y64-H326 AromaticContact CE2-ND1 3.77Å; Y64-H326 AromaticContact CE2-NE2 3.76Å; G323-H326 WeakPolarHBondContact O-CB 3.44Å; G323-H326 PolarHBondContact O-CD2 3.03Å; G323-H326 PolarHBondContact O-N 3.04Å; G324-H326 PolarHBondContact O-N 2.88Å; H326-C330 WeakPolarHBondContact O-CB 3.35Å; H326-C330 PolarHBondContact O-N 3.25Å; H326-C330 PolarHBondContact O-SG 2.89Å
327	I	97.4	Very high	96.2	Very high	45 Å²	45	24.9 Å²	24.9	23%	0.231	13%	0.133	C	C	.	.	H	α-helix	trans	-65.2	-51.7	176.5	-63.3	179.4	0	0	0	109.6	P147 Y150 G324 Y325 M329 C330 Q331	P147-I327 HydrophobicContact CG-CD1 4.11Å; Y150-I327 HydrophobicContact CD1-CD1 3.6Å; Y150-I327 HydrophobicContact CD2-CD1 4.41Å; Y150-I327 HydrophobicContact CE1-CD1 3.32Å; Y150-I327 HydrophobicContact CE1-CG1 4.05Å; Y150-I327 HydrophobicContact CE2-CD1 4.17Å; Y150-I327 HydrophobicContact CG-CD1 4.15Å; G324-I327 WeakPolarHBondContact O-CB 3.41Å; G324-I327 PolarHBondContact O-N 3.33Å; Y325-I327 VanDerWaalsContact C-N 3.3Å; Y325-I327 PolarHBondContact O-N 3.41Å; I327-M329 PolarHBondContact O-N 3.07Å; I327-C330 PolarHBondContact O-N 2.03Å; I327-Q331 HydrophobicContact CG2-CG 4.22Å; I327-Q331 VanDerWaalsContact O-CB 3.3Å; I327-Q331 WeakPolarHBondContact O-CB 3.47Å; I327-Q331 VanDerWaalsContact O-CG 3.29Å; I327-Q331 WeakPolarHBondContact O-CG 3.47Å; I327-Q331 PolarHBondContact O-N 2.84Å
328	G	98.1	Very high	96.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.3	-49.5	-178	0	0	0	0	0	112.7	I144 G324 Y325 Q331 L332	I144-G328 WeakPolarHBondContact CG2-O 3.2Å; G324-G328 PolarHBondContact O-N 2.87Å; G324-G328 VanDerWaalsContact O-N 3.07Å; Y325-G328 PolarHBondContact O-N 2.89Å; G328-Q331 PolarHBondContact O-N 3.06Å; G328-L332 WeakPolarHBondContact O-CB 3.43Å; G328-L332 PolarHBondContact O-N 3.06Å
329	M	98.1	Very high	96.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.4	-39.2	-178.9	-66	-56.8	118	0	0	112.7	I57 L62 I72 M136 Y325 I327 L332 C333	I57-M329 HydrophobicContact CG2-CE 4.11Å; I57-M329 HydrophobicContact CG2-CG 3.93Å; I57-M329 HydrophobicContact CG2-SD 3.82Å; L62-M329 HydrophobicContact CD2-CB 3.85Å; L62-M329 HydrophobicContact CG-CB 4.44Å; I72-M329 HydrophobicContact CD1-CG 4.1Å; I72-M329 HydrophobicContact CD1-SD 4.02Å; M136-M329 HydrophobicContact CE-CE 3.4Å; M136-M329 VanDerWaalsContact CE-CE 3.4Å; M136-M329 HydrophobicContact SD-CE 3.52Å; M136-M329 VanDerWaalsContact SD-CE 3.52Å; Y325-M329 WeakPolarHBondContact O-CB 3.32Å; Y325-M329 VanDerWaalsContact O-CG 3.29Å; Y325-M329 WeakPolarHBondContact O-CG 3.3Å; Y325-M329 PolarHBondContact O-N 3.4Å; I327-M329 PolarHBondContact O-N 3.07Å; M329-L332 PolarHBondContact O-N 2.78Å; M329-C333 WeakPolarHBondContact O-CB 3.29Å; M329-C333 PolarHBondContact O-N 2.9Å
330	C	98.6	Very high	96.2	Very high	24 Å²	24	28.9 Å²	28.9	16%	0.162	17%	0.173	C	C	.	.	H	α-helix	trans	-68.8	-38	176	-71.7	0	0	0	0	112.5	C65 H326 I327 C333 G334	C65-C330 HydrophobicContact CB-CB 3.68Å; C65-C330 WeakPolarHBondContact CB-SG 3.38Å; C65-C330 WeakPolarHBondContact SG-CA 3.45Å; C65-C330 WeakPolarHBondContact SG-CB 3.15Å; C65-C330 CovalentContact SG-SG 2.03Å; C65-C330 PolarHBondContact SG-SG 2.8Å; H326-C330 WeakPolarHBondContact O-CB 3.35Å; H326-C330 PolarHBondContact O-N 3.25Å; H326-C330 PolarHBondContact O-SG 2.89Å; I327-C330 PolarHBondContact O-N 2.03Å; C330-C333 PolarHBondContact O-N 3.02Å; C330-G334 PolarHBondContact O-N 3.03Å
331	Q	98.7	Very high	96	Very high	83 Å²	83	31 Å²	31	39%	0.388	20%	0.201	S	C	.	.	H	α-helix	trans	-64.2	-44.5	173.1	-77.6	-174	-13.2	0	0	111.7	I144 F145 I327 G328 G334 R335	I144-Q331 HydrophobicContact CD1-CB 4.49Å; I144-Q331 HydrophobicContact CG2-CB 3.88Å; F145-Q331 PolarHBondContact O-OE1 3.14Å; F145-Q331 VanDerWaalsContact O-OE1 3.08Å; I327-Q331 HydrophobicContact CG2-CG 4.22Å; I327-Q331 VanDerWaalsContact O-CB 3.3Å; I327-Q331 WeakPolarHBondContact O-CB 3.47Å; I327-Q331 VanDerWaalsContact O-CG 3.29Å; I327-Q331 WeakPolarHBondContact O-CG 3.47Å; I327-Q331 PolarHBondContact O-N 2.84Å; G328-Q331 PolarHBondContact O-N 3.06Å; Q331-G334 PolarHBondContact O-N 3.09Å; Q331-R335 WeakPolarHBondContact O-CB 2.99Å; Q331-R335 PolarHBondContact O-N 3.28Å
332	L	98.8	Very high	95.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-48.9	174.2	177.8	57.7	0	0	0	110.6	I46 V86 V109 L134 M136 I144 G328 M329 G334 R335 L336	I46-L332 HydrophobicContact CD1-CD2 4.12Å; I46-L332 HydrophobicContact CD1-CG 4.19Å; I46-L332 HydrophobicContact CG2-CD2 3.96Å; V86-L332 HydrophobicContact CG2-CD2 3.87Å; V109-L332 HydrophobicContact CG2-CD1 4.13Å; L134-L332 HydrophobicContact CD1-CD1 4.16Å; M136-L332 HydrophobicContact SD-CD2 4.26Å; I144-L332 HydrophobicContact CD1-CB 4.37Å; I144-L332 HydrophobicContact CD1-CD1 4.43Å; I144-L332 HydrophobicContact CG1-CB 4.3Å; I144-L332 HydrophobicContact CG1-CD1 4.22Å; I144-L332 HydrophobicContact CG2-CB 4.16Å; G328-L332 WeakPolarHBondContact O-CB 3.43Å; G328-L332 PolarHBondContact O-N 3.06Å; M329-L332 PolarHBondContact O-N 2.78Å; L332-G334 VanDerWaalsContact C-N 3.34Å; L332-G334 PolarHBondContact O-N 2.95Å; L332-R335 WeakPolarHBondContact O-CB 3.21Å; L332-R335 PolarHBondContact O-N 3.28Å; L332-R335 VanDerWaalsContact O-N 3.15Å; L332-L336 HydrophobicContact CD1-CD1 4.22Å; L332-L336 HydrophobicContact CD1-CD2 4.33Å; L332-L336 HydrophobicContact CD1-CG 4.1Å; L332-L336 HydrophobicContact CG-CD1 4.15Å; L332-L336 HydrophobicContact CG-CG 4.43Å; L332-L336 VanDerWaalsContact O-CG 3.29Å; L332-L336 WeakPolarHBondContact O-CG 3.26Å; L332-L336 PolarHBondContact O-N 2.98Å
333	C	98.7	Very high	95.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.7	-44.6	177.9	-179.2	0	0	0	0	112.4	L62 L68 C70 M329 C330 R335 L336 R337	L62-C333 HydrophobicContact CD2-CB 4.05Å; L68-C333 WeakPolarHBondContact CB-SG 3.34Å; L68-C333 HydrophobicContact CD1-CB 4.25Å; C70-C333 HydrophobicContact CB-CB 3.76Å; C70-C333 WeakPolarHBondContact CB-SG 3.19Å; C70-C333 WeakPolarHBondContact SG-CA 3.34Å; C70-C333 WeakPolarHBondContact SG-CB 3.35Å; C70-C333 CovalentContact SG-SG 2.02Å; C70-C333 PolarHBondContact SG-SG 3.02Å; M329-C333 WeakPolarHBondContact O-CB 3.29Å; M329-C333 PolarHBondContact O-N 2.9Å; C330-C333 PolarHBondContact O-N 3.02Å; C333-R335 VanDerWaalsContact C-N 3.32Å; C333-R335 PolarHBondContact O-N 3.13Å; C333-L336 PolarHBondContact O-N 2.63Å; C333-R337 WeakPolarHBondContact O-CG 3Å; C333-R337 PolarHBondContact O-N 2.88Å
334	G	98.3	Very high	96	Very high	26 Å²	26	36.5 Å²	36.5	27%	0.268	25%	0.247	S	C	.	.	H	α-helix	trans	-60.6	-41.7	175.9	0	0	0	0	0	112.3	C330 Q331 L332 R337 A338	C330-G334 PolarHBondContact O-N 3.03Å; Q331-G334 PolarHBondContact O-N 3.09Å; L332-G334 VanDerWaalsContact C-N 3.34Å; L332-G334 PolarHBondContact O-N 2.95Å; G334-R337 PolarHBondContact O-N 3.21Å; G334-A338 PolarHBondContact O-N 3.35Å
335	R	98.4	Very high	96.1	Very high	75 Å²	75	37 Å²	37	28%	0.283	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-47.3	174.9	176.9	58.4	-171.6	-91.1	-2.6	112	L134 I144 Q331 L332 C333 R337 A338 D339	L134-R335 HydrophobicContact CD1-CG 3.93Å; L134-R335 VanDerWaalsContact CD2-CZ 3.48Å; I144-R335 HydrophobicContact CD1-CB 3.89Å; I144-R335 HydrophobicContact CD1-CG 4.26Å; Q331-R335 WeakPolarHBondContact O-CB 2.99Å; Q331-R335 PolarHBondContact O-N 3.28Å; L332-R335 WeakPolarHBondContact O-CB 3.21Å; L332-R335 PolarHBondContact O-N 3.28Å; L332-R335 VanDerWaalsContact O-N 3.15Å; C333-R335 VanDerWaalsContact C-N 3.32Å; C333-R335 PolarHBondContact O-N 3.13Å; R335-R337 VanDerWaalsContact C-N 3.27Å; R335-R337 PolarHBondContact O-N 3.11Å; R335-A338 WeakPolarHBondContact O-CB 3.31Å; R335-A338 PolarHBondContact O-N 3.18Å; R335-D339 IonicContact CZ-OD2 2.77Å; R335-D339 IonicContact NE-OD1 2.68Å; R335-D339 IonicContact NE-OD2 3.12Å; R335-D339 PolarHBondContact NE-OD2 3.37Å; R335-D339 IonicContact NH2-OD2 3.21Å; R335-D339 PolarHBondContact NH2-OD2 3.02Å; R335-D339 PolarHBondContact O-N 3.14Å
336	L	98.2	Very high	96.1	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-35.1	177.7	-62.1	175.7	0	0	0	112.2	L44 I46 A84 H107 L332 C333 D339 A340	L44-L336 HydrophobicContact CD1-CB 3.92Å; L44-L336 WeakPolarHBondContact CD1-O 3.36Å; I46-L336 HydrophobicContact CD1-CD1 4.09Å; I46-L336 HydrophobicContact CG1-CD1 3.64Å; A84-L336 HydrophobicContact CB-CD1 3.71Å; A84-L336 HydrophobicContact CB-CD2 3.92Å; A84-L336 HydrophobicContact CB-CG 4.43Å; H107-L336 HydrophobicContact CB-CD2 4.21Å; H107-L336 WeakPolarHBondContact CD2-CD2 3.32Å; L332-L336 HydrophobicContact CD1-CD1 4.22Å; L332-L336 HydrophobicContact CD1-CD2 4.33Å; L332-L336 HydrophobicContact CD1-CG 4.1Å; L332-L336 HydrophobicContact CG-CD1 4.15Å; L332-L336 HydrophobicContact CG-CG 4.43Å; L332-L336 VanDerWaalsContact O-CG 3.29Å; L332-L336 WeakPolarHBondContact O-CG 3.26Å; L332-L336 PolarHBondContact O-N 2.98Å; C333-L336 PolarHBondContact O-N 2.63Å; L336-D339 PolarHBondContact O-N 3.12Å; L336-A340 PolarHBondContact O-N 3.04Å
337	R	96.4	Very high	96.2	Very high	62 Å²	62	46.2 Å²	46.2	23%	0.234	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-38.3	174.8	-75.2	-68.8	178.3	-169.9	5.9	112.7	K42 L44 L68 N69 C333 G334 R335	K42-R337 PolarHBondContact O-NH2 2.84Å; L44-R337 HydrophobicContact CD1-CG 4Å; L68-R337 HydrophobicContact CB-CG 4.5Å; L68-R337 PolarHBondContact O-NE 2.94Å; L68-R337 PolarHBondContact O-NH2 2.91Å; N69-R337 PolarHBondContact ND2-NH2 2.73Å; N69-R337 PolarHBondContact O-NH2 2.79Å; C333-R337 WeakPolarHBondContact O-CG 3Å; C333-R337 PolarHBondContact O-N 2.88Å; G334-R337 PolarHBondContact O-N 3.21Å; R335-R337 VanDerWaalsContact C-N 3.27Å; R335-R337 PolarHBondContact O-N 3.11Å
338	A	95.9	Very high	96.2	Very high	74 Å²	74	45 Å²	45	61%	0.612	29%	0.286	S	S	*	.	H	α-helix	trans	-65.6	-39.2	174	0	0	0	0	0	111.8	G334 R335	G334-A338 PolarHBondContact O-N 3.35Å; R335-A338 WeakPolarHBondContact O-CB 3.31Å; R335-A338 PolarHBondContact O-N 3.18Å
339	D	96.5	Very high	96.1	Very high	33 Å²	33	51.8 Å²	51.8	18%	0.176	32%	0.317	C	S	.	.	H	α-helix	trans	-86.3	-8.2	-174.6	-69.7	0.2	0	0	0	113.7	H107 R335 L336 G341 V342 V345	H107-D339 IonicContact CE1-OD2 3.55Å; H107-D339 PolarHBondContact CE1-OD2 3.36Å; H107-D339 IonicContact NE2-OD2 3.36Å; H107-D339 PolarHBondContact NE2-OD2 3.18Å; H107-D339 VanDerWaalsContact NE2-OD2 3.12Å; R335-D339 IonicContact CZ-OD2 2.77Å; R335-D339 IonicContact NE-OD1 2.68Å; R335-D339 IonicContact NE-OD2 3.12Å; R335-D339 PolarHBondContact NE-OD2 3.37Å; R335-D339 IonicContact NH2-OD2 3.21Å; R335-D339 PolarHBondContact NH2-OD2 3.02Å; R335-D339 PolarHBondContact O-N 3.14Å; L336-D339 PolarHBondContact O-N 3.12Å; D339-G341 PolarHBondContact O-N 3.44Å; D339-V342 PolarHBondContact O-N 2.89Å; D339-V345 HydrophobicContact CB-CG1 4.32Å
340	A	92.6	Very high	96.1	Very high	67 Å²	67	52.1 Å²	52.1	55%	0.554	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.9	-174.5	0	0	0	0	0	115	L44 L336	L44-A340 HydrophobicContact CD1-CB 4.36Å; L336-A340 PolarHBondContact O-N 3.04Å
341	G	89.5	Confident	96.1	Very high	78 Å²	78	51 Å²	51	80%	0.804	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-2.1	179.4	0	0	0	0	0	115.5	D339 G343	D339-G341 PolarHBondContact O-N 3.44Å; G341-G343 VanDerWaalsContact C-N 3.32Å; G341-G343 PolarHBondContact O-N 3.15Å
342	V	88.9	Confident	96.1	Very high	91 Å²	91	48.6 Å²	48.6	55%	0.552	31%	0.306	S	S	*	.	S	Bend	trans	-79.4	-15.6	-169.2	-177.8	0	0	0	0	112.6	D339 A344	D339-V342 PolarHBondContact O-N 2.89Å; V342-A344 WeakPolarHBondContact CG1-O 3.43Å; V342-A344 PolarHBondContact O-N 3.03Å
343	G	90.4	Very high	96	Very high	53 Å²	53	50.5 Å²	50.5	55%	0.546	32%	0.317	S	S	.	.	S	Bend	trans	77.2	-43.6	177.7	0	0	0	0	0	114.2	P104 G341	P104-G343 WeakPolarHBondContact CB-O 3.47Å; G341-G343 VanDerWaalsContact C-N 3.32Å; G341-G343 PolarHBondContact O-N 3.15Å
344	A	95.7	Very high	96	Very high	31 Å²	31	50.5 Å²	50.5	26%	0.256	32%	0.317	S	S	.	.	S	Bend	trans	-139.2	133.3	175.1	0	0	0	0	0	112.5	P104 V342 Y346	P104-A344 HydrophobicContact CB-CB 4.14Å; P104-A344 CarbonylContact O-C 3.53Å; P104-A344 VanDerWaalsContact O-CA 3.26Å; P104-A344 WeakPolarHBondContact O-CA 3.4Å; V342-A344 WeakPolarHBondContact CG1-O 3.43Å; V342-A344 PolarHBondContact O-N 3.03Å; A344-Y346 HydrophobicContact CB-CE2 4.34Å
345	V	96.7	Very high	96	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.055	31%	0.309	C	S	.	.			trans	-108.2	144.9	179.4	-55	0	0	0	0	111.3	R102 P104 Q106 H107 T133 D339	R102-V345 PolarHBondContact NH1-O 3.15Å; P104-V345 WeakPolarHBondContact O-CG2 3.46Å; P104-V345 PolarHBondContact O-N 3.32Å; Q106-V345 WeakPolarHBondContact O-CG2 3.43Å; H107-V345 WeakPolarHBondContact NE2-CG1 3.34Å; T133-V345 HydrophobicContact CG2-CG2 4.37Å; D339-V345 HydrophobicContact CB-CG1 4.32Å
346	Y	96.1	Very high	96	Very high	174 Å²	174	52.4 Å²	52.4	68%	0.682	32%	0.322	S	S	*	.			trans	-121.9	156.5	-176.6	-60.6	-84.6	0	0	0	110.7	A344 S348	A344-Y346 HydrophobicContact CB-CE2 4.34Å; Y346-S348 PolarHBondContact O-N 3.29Å
347	P	97.6	Very high	96	Very high	41 Å²	41	52.4 Å²	52.4	27%	0.266	32%	0.322	S	S	.	.			trans	-57.6	131.4	173.8	-23.2	34.7	0	0	0	113.2	Y132 A352	Y132-P347 WeakPolarHBondContact O-CB 3.29Å; P347-A352 HydrophobicContact CB-CB 4.04Å
348	S	97.9	Very high	96	Very high	20 Å²	20	49.6 Å²	49.6	14%	0.14	31%	0.311	C	S	.	.			trans	-65.1	167.4	165.9	72.1	0	0	0	0	111	T133 D143 Y346 S350 A351 A352	T133-S348 PolarHBondContact O-N 2.93Å; T133-S348 VanDerWaalsContact O-N 3.08Å; D143-S348 WeakPolarHBondContact OD1-CB 3.48Å; D143-S348 PolarHBondContact OD1-OG 3.46Å; D143-S348 VanDerWaalsContact OD1-OG 3.11Å; D143-S348 WeakPolarHBondContact OD2-CB 3.49Å; D143-S348 PolarHBondContact OD2-OG 3Å; Y346-S348 PolarHBondContact O-N 3.29Å; S348-S350 PolarHBondContact O-N 3.3Å; S348-S350 PolarHBondContact OG-N 2.89Å; S348-S350 PolarHBondContact OG-OG 3.31Å; S348-A351 PolarHBondContact O-N 2.9Å; S348-A351 VanDerWaalsContact OG-CB 3.24Å; S348-A351 WeakPolarHBondContact OG-CB 3.48Å; S348-A351 PolarHBondContact OG-N 3.21Å; S348-A351 VanDerWaalsContact OG-N 3.08Å; S348-A352 WeakPolarHBondContact O-CB 3.45Å; S348-A352 PolarHBondContact O-N 3.39Å
349	E	96.6	Very high	96.1	Very high	142 Å²	142	50.9 Å²	50.9	66%	0.664	30%	0.303	S	S	*	.	H	α-helix	trans	-56.8	-40.9	175.2	-168.9	-162.4	145.2	0	0	111.7	R361	E349-R361 IonicContact OE1-CZ 2.84Å; E349-R361 IonicContact OE1-NH1 2.79Å; E349-R361 PolarHBondContact OE1-NH1 2.81Å; E349-R361 IonicContact OE1-NH2 2.58Å; E349-R361 PolarHBondContact OE1-NH2 3.02Å
350	S	97.7	Very high	96.1	Very high	8 Å²	8	52.2 Å²	52.2	6%	0.056	33%	0.325	C	S	.	.	H	α-helix	trans	-73	-30.1	-179.1	69.5	0	0	0	0	112.7	T135 D143 S348 I354	T135-S350 WeakPolarHBondContact CG2-O 3.49Å; T135-S350 WeakPolarHBondContact CG2-OG 3.32Å; T135-S350 PolarHBondContact OG1-OG 2.83Å; D143-S350 PolarHBondContact OD1-OG 2.88Å; D143-S350 PolarHBondContact OD2-OG 2.02Å; S348-S350 PolarHBondContact O-N 3.3Å; S348-S350 PolarHBondContact OG-N 2.89Å; S348-S350 PolarHBondContact OG-OG 3.31Å; S350-I354 WeakPolarHBondContact O-CG2 3.45Å
351	A	98.4	Very high	96.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-89.6	-25.1	-177.2	0	0	0	0	0	114.3	T133 T135 S348 D353	T133-A351 WeakPolarHBondContact O-CB 3.49Å; T135-A351 HydrophobicContact CG2-CB 4.04Å; S348-A351 PolarHBondContact O-N 2.9Å; S348-A351 VanDerWaalsContact OG-CB 3.24Å; S348-A351 WeakPolarHBondContact OG-CB 3.48Å; S348-A351 PolarHBondContact OG-N 3.21Å; S348-A351 VanDerWaalsContact OG-N 3.08Å; A351-D353 VanDerWaalsContact C-N 3.32Å; A351-D353 PolarHBondContact O-N 3.08Å
352	A	97.9	Very high	96.7	Very high	32 Å²	32	50.8 Å²	50.8	26%	0.264	28%	0.284	S	S	.	.	H	α-helix	trans	-60.2	-40.8	-178.2	0	0	0	0	0	112.5	K129 D130 P347 S348	K129-A352 WeakPolarHBondContact CA-O 3.27Å; D130-A352 PolarHBondContact N-O 3Å; P347-A352 HydrophobicContact CB-CB 4.04Å; S348-A352 WeakPolarHBondContact O-CB 3.45Å; S348-A352 PolarHBondContact O-N 3.39Å
353	D	98.3	Very high	97	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.219	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-140.3	86.4	172.6	-171	-23.7	0	0	0	109.8	Q128 K129 A351 G355 K356 W357	Q128-D353 CarbonylContact O-C 3.57Å; Q128-D353 WeakPolarHBondContact O-CA 3.48Å; K129-D353 VanDerWaalsContact CE-OD2 3.28Å; K129-D353 WeakPolarHBondContact CE-OD2 3.43Å; K129-D353 HydrophobicContact CG-CB 4.44Å; A351-D353 VanDerWaalsContact C-N 3.32Å; A351-D353 PolarHBondContact O-N 3.08Å; D353-G355 PolarHBondContact O-N 3.25Å; D353-G355 WeakPolarHBondContact OD1-CA 3.48Å; D353-G355 PolarHBondContact OD1-N 2.75Å; D353-K356 HydrophobicContact CB-CB 4.06Å; D353-K356 PolarHBondContact O-N 3.27Å; D353-K356 PolarHBondContact OD1-N 3.35Å; D353-W357 WeakPolarHBondContact O-CB 3.35Å; D353-W357 PolarHBondContact O-N 2.72Å
354	I	98.2	Very high	97.4	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.2	-20.1	177.4	60.8	162.5	0	0	0	111.7	F110 F124 Q128 Y132 T135 S350 W357 Y358	F110-I354 HydrophobicContact CB-CG2 4.34Å; F110-I354 HydrophobicContact CD1-CD1 4.49Å; F110-I354 HydrophobicContact CD1-CG2 4.35Å; F110-I354 HydrophobicContact CD2-CD1 3.42Å; F110-I354 VanDerWaalsContact CD2-CD1 3.42Å; F110-I354 HydrophobicContact CE2-CD1 3.57Å; F110-I354 HydrophobicContact CG-CD1 3.91Å; F110-I354 HydrophobicContact CG-CG2 4.28Å; F110-I354 HydrophobicContact CZ-CD1 4.19Å; F124-I354 HydrophobicContact CD2-CD1 3.97Å; F124-I354 HydrophobicContact CE2-CD1 3.66Å; F124-I354 HydrophobicContact CE2-CG1 4.14Å; F124-I354 HydrophobicContact CZ-CD1 4.24Å; F124-I354 HydrophobicContact CZ-CG1 4.24Å; Q128-I354 VanDerWaalsContact CA-CG1 3.49Å; Q128-I354 HydrophobicContact CB-CG1 3.89Å; Q128-I354 WeakPolarHBondContact O-CG1 3.26Å; Q128-I354 PolarHBondContact O-N 3.03Å; Y132-I354 HydrophobicContact CD2-CD1 3.74Å; Y132-I354 HydrophobicContact CD2-CG1 4.27Å; Y132-I354 HydrophobicContact CD2-CG2 4.32Å; Y132-I354 HydrophobicContact CE2-CD1 3.48Å; Y132-I354 VanDerWaalsContact CE2-CD1 3.48Å; Y132-I354 HydrophobicContact CE2-CG1 4.4Å; T135-I354 HydrophobicContact CG2-CG2 3.86Å; S350-I354 WeakPolarHBondContact O-CG2 3.45Å; I354-W357 HydrophobicContact CB-CE3 4.4Å; I354-W357 HydrophobicContact CG2-CE3 4.28Å; I354-Y358 WeakPolarHBondContact O-CA 3.26Å; I354-Y358 WeakPolarHBondContact O-CB 3.46Å; I354-Y358 PolarHBondContact O-N 3.02Å
355	G	97.8	Very high	97.5	Very high	10 Å²	10	51.5 Å²	51.5	10%	0.103	27%	0.265	C	S	.	.	I	π-helix	trans	-64.4	-50.5	172.8	0	0	0	0	0	110.9	D353 K359 G360	D353-G355 PolarHBondContact O-N 3.25Å; D353-G355 WeakPolarHBondContact OD1-CA 3.48Å; D353-G355 PolarHBondContact OD1-N 2.75Å; G355-K359 WeakPolarHBondContact O-CB 3.35Å; G355-K359 PolarHBondContact O-N 3.06Å; G355-G360 PolarHBondContact O-N 2.86Å; G355-G360 VanDerWaalsContact O-N 3.08Å
356	K	97.9	Very high	97.5	Very high	130 Å²	130	55.6 Å²	55.6	57%	0.565	29%	0.292	S	S	*	.	I	π-helix	trans	-65.9	-46.4	175.2	-176.7	-178.6	179.5	-177.1	0	112	D353 G360 R361	D353-K356 HydrophobicContact CB-CB 4.06Å; D353-K356 PolarHBondContact O-N 3.27Å; D353-K356 PolarHBondContact OD1-N 3.35Å; K356-G360 CarbonylContact O-C 3.57Å; K356-G360 WeakPolarHBondContact O-CA 3.41Å; K356-G360 PolarHBondContact O-N 2.77Å; K356-R361 PolarHBondContact O-N 3.31Å
357	W	98	Very high	97.6	Very high	5 Å²	5	48 Å²	48	2%	0.019	27%	0.266	C	S	.	.	I	π-helix	trans	-72	-61.8	-178.1	168	77.3	0	0	0	111.6	F110 T135 T137 R139 D353 I354 R361	F110-W357 HydrophobicContact CD1-CZ3 4.18Å; F110-W357 HydrophobicContact CE1-CZ3 4.21Å; T135-W357 HydrophobicContact CG2-CE3 3.76Å; T135-W357 HydrophobicContact CG2-CH2 3.93Å; T135-W357 HydrophobicContact CG2-CZ3 3.42Å; T135-W357 VanDerWaalsContact CG2-CZ3 3.42Å; T137-W357 HydrophobicContact CG2-CH2 3.81Å; T137-W357 HydrophobicContact CG2-CZ3 4.28Å; R139-W357 HydrophobicContact CB-CZ2 4.31Å; D353-W357 WeakPolarHBondContact O-CB 3.35Å; D353-W357 PolarHBondContact O-N 2.72Å; I354-W357 HydrophobicContact CB-CE3 4.4Å; I354-W357 HydrophobicContact CG2-CE3 4.28Å; W357-R361 VanDerWaalsContact O-CB 3.27Å; W357-R361 WeakPolarHBondContact O-CB 3.29Å; W357-R361 PolarHBondContact O-N 3.2Å; W357-R361 VanDerWaalsContact O-N 3.11Å
358	Y	98	Very high	97.6	Very high	2 Å²	2	47 Å²	47	1%	0.008	26%	0.257	C	S	.	.	I	π-helix	trans	-69.8	-49.1	-168.8	-161.6	-113.2	0	0	0	112.8	F110 L112 E114 A116 V119 F124 T137 F138 R139 I354 S362	F110-Y358 HydrophobicContact CE1-CD1 4.29Å; F110-Y358 HydrophobicContact CE1-CD2 4.07Å; F110-Y358 HydrophobicContact CE1-CE1 4.48Å; F110-Y358 HydrophobicContact CE1-CE2 4.25Å; F110-Y358 HydrophobicContact CE1-CG 4.06Å; F110-Y358 HydrophobicContact CZ-CD1 4.18Å; F110-Y358 HydrophobicContact CZ-CE1 4.36Å; F110-Y358 HydrophobicContact CZ-CG 4.36Å; L112-Y358 HydrophobicContact CD2-CD1 4.37Å; L112-Y358 HydrophobicContact CD2-CE1 3.55Å; L112-Y358 HydrophobicContact CG-CE1 4.34Å; E114-Y358 PolarHBondContact O-OH 2.82Å; A116-Y358 HydrophobicContact CB-CD1 4.33Å; A116-Y358 HydrophobicContact CB-CE1 4.41Å; V119-Y358 HydrophobicContact CG1-CD1 3.91Å; V119-Y358 HydrophobicContact CG1-CE1 4.05Å; F124-Y358 HydrophobicContact CE2-CD1 4.36Å; T137-Y358 HydrophobicContact CG2-CD2 4.23Å; T137-Y358 HydrophobicContact CG2-CE2 3.61Å; F138-Y358 WeakPolarHBondContact CE1-OH 3.29Å; R139-Y358 HydrophobicContact CG-CE2 4.18Å; R139-Y358 PolarHBondContact NH1-O 3.14Å; I354-Y358 WeakPolarHBondContact O-CA 3.26Å; I354-Y358 WeakPolarHBondContact O-CB 3.46Å; I354-Y358 PolarHBondContact O-N 3.02Å; Y358-S362 WeakPolarHBondContact O-CB 3.39Å
359	K	96.7	Very high	97.6	Very high	101 Å²	101	46.1 Å²	46.1	44%	0.439	25%	0.251	S	S	.	.	I	π-helix	trans	-83.9	-50.7	177.5	-61.7	-176.2	73.2	168.6	0	111.5	A116 V119 F124 G355 R361 S362	A116-K359 HydrophobicContact CB-CG 4.25Å; V119-K359 HydrophobicContact CG1-CD 4.49Å; V119-K359 HydrophobicContact CG1-CG 4.36Å; V119-K359 HydrophobicContact CG2-CD 4.04Å; F124-K359 HydrophobicContact CD1-CD 4.25Å; F124-K359 HydrophobicContact CE1-CD 3.51Å; F124-K359 HydrophobicContact CE1-CG 3.98Å; F124-K359 HydrophobicContact CZ-CD 3.9Å; F124-K359 HydrophobicContact CZ-CG 3.82Å; G355-K359 WeakPolarHBondContact O-CB 3.35Å; G355-K359 PolarHBondContact O-N 3.06Å; K359-R361 VanDerWaalsContact C-N 3.33Å; K359-R361 PolarHBondContact O-N 2.89Å; K359-S362 VanDerWaalsContact O-CB 3.27Å; K359-S362 WeakPolarHBondContact O-CB 3.03Å; K359-S362 PolarHBondContact O-N 3.38Å; K359-S362 PolarHBondContact O-OG 3.04Å
360	G	97.1	Very high	97.7	Very high	61 Å²	61	45.1 Å²	45.1	63%	0.629	24%	0.244	S	C	*	.	I	π-helix	trans	-63.6	-33.2	-173.7	0	0	0	0	0	114.2	G355 K356	G355-G360 PolarHBondContact O-N 2.86Å; G355-G360 VanDerWaalsContact O-N 3.08Å; K356-G360 CarbonylContact O-C 3.57Å; K356-G360 WeakPolarHBondContact O-CA 3.41Å; K356-G360 PolarHBondContact O-N 2.77Å
361	R	97.4	Very high	97.6	Very high	97 Å²	97	47.8 Å²	47.8	37%	0.366	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	20.6	176.6	-52	178.3	-179.3	170.2	1.2	112.9	R139 E349 K356 W357 K359 E363	R139-R361 PolarHBondContact NH1-O 2.75Å; R139-R361 PolarHBondContact NH2-O 2.92Å; R139-R361 VanDerWaalsContact NH2-O 3.07Å; E349-R361 IonicContact OE1-CZ 2.84Å; E349-R361 IonicContact OE1-NH1 2.79Å; E349-R361 PolarHBondContact OE1-NH1 2.81Å; E349-R361 IonicContact OE1-NH2 2.58Å; E349-R361 PolarHBondContact OE1-NH2 3.02Å; K356-R361 PolarHBondContact O-N 3.31Å; W357-R361 VanDerWaalsContact O-CB 3.27Å; W357-R361 WeakPolarHBondContact O-CB 3.29Å; W357-R361 PolarHBondContact O-N 3.2Å; W357-R361 VanDerWaalsContact O-N 3.11Å; K359-R361 VanDerWaalsContact C-N 3.33Å; K359-R361 PolarHBondContact O-N 2.89Å; R361-E363 VanDerWaalsContact C-N 3.34Å
362	S	96.8	Very high	97.6	Very high	18 Å²	18	48 Å²	48	13%	0.126	26%	0.264	C	S	.	.			trans	-73	-23.1	-176	61.5	0	0	0	0	114.6	K246 Y358 K359 C364	K246-S362 WeakPolarHBondContact CB-O 3.5Å; K246-S362 PolarHBondContact N-O 2.98Å; K246-S362 VanDerWaalsContact N-O 3.15Å; Y358-S362 WeakPolarHBondContact O-CB 3.39Å; K359-S362 VanDerWaalsContact O-CB 3.27Å; K359-S362 WeakPolarHBondContact O-CB 3.03Å; K359-S362 PolarHBondContact O-N 3.38Å; K359-S362 PolarHBondContact O-OG 3.04Å; S362-C364 VanDerWaalsContact CB-SG 3.53Å; S362-C364 PolarHBondContact O-N 3.35Å; S362-C364 PolarHBondContact OG-SG 3.44Å; S362-C364 VanDerWaalsContact OG-SG 3.42Å
363	E	96.8	Very high	97.6	Very high	108 Å²	108	47.6 Å²	47.6	51%	0.505	26%	0.257	S	S	.	.			trans	49.4	32.6	-173.8	-58.6	174.2	-138.4	0	0	112.1	K246 R361	K246-E363 HydrophobicContact CB-CB 3.93Å; K246-E363 HydrophobicContact CD-CB 4.49Å; K246-E363 VanDerWaalsContact CD-CD 3.44Å; K246-E363 HydrophobicContact CD-CG 4.24Å; K246-E363 WeakPolarHBondContact CD-OE1 3.45Å; K246-E363 IonicContact NZ-OE1 2.67Å; K246-E363 PolarHBondContact NZ-OE1 3.01Å; R361-E363 VanDerWaalsContact C-N 3.34Å
364	C	98.1	Very high	96.8	Very high	21 Å²	21	52.6 Å²	52.6	14%	0.142	28%	0.284	C	S	.	.			trans	-68.6	141.7	176.1	-67.7	0	0	0	0	111.1	H117 A244 C245 S362 P366	H117-C364 WeakPolarHBondContact NE2-CB 3.37Å; A244-C364 CarbonylContact O-C 3.57Å; A244-C364 WeakPolarHBondContact O-CA 3.27Å; C245-C364 HydrophobicContact CB-CB 4.06Å; C245-C364 WeakPolarHBondContact CB-SG 3.44Å; C245-C364 WeakPolarHBondContact SG-CB 2.94Å; C245-C364 CovalentContact SG-SG 2.03Å; C245-C364 PolarHBondContact SG-SG 3.47Å; S362-C364 VanDerWaalsContact CB-SG 3.53Å; S362-C364 PolarHBondContact O-N 3.35Å; S362-C364 PolarHBondContact OG-SG 3.44Å; S362-C364 VanDerWaalsContact OG-SG 3.42Å; C364-P366 WeakPolarHBondContact O-CD 3.39Å
365	L	97.8	Very high	96	Very high	62 Å²	62	57.9 Å²	57.9	33%	0.325	30%	0.304	S	S	.	.			trans	-116.5	89.1	179.5	-57.6	176.5	0	0	0	109.3	A244 K267 F270 G367 Y368	A244-L365 HydrophobicContact CB-CB 4.36Å; A244-L365 PolarHBondContact O-N 3.3Å; K267-L365 HydrophobicContact CD-CD1 3.84Å; F270-L365 HydrophobicContact CE2-CD1 4.41Å; F270-L365 HydrophobicContact CZ-CD1 4.17Å; F270-L365 HydrophobicContact CZ-CG 4.48Å; L365-G367 PolarHBondContact O-N 2.66Å; L365-Y368 HydrophobicContact CB-CD2 3.95Å; L365-Y368 HydrophobicContact CB-CG 4.12Å; L365-Y368 HydrophobicContact CD1-CD2 3.58Å; L365-Y368 HydrophobicContact CD1-CE2 3.68Å; L365-Y368 HydrophobicContact CD1-CG 4.18Å; L365-Y368 HydrophobicContact CG-CD2 4.4Å; L365-Y368 WeakPolarHBondContact O-CB 3.4Å; L365-Y368 PolarHBondContact O-N 2.87Å
366	P	97.2	Very high	94.1	Very high	95 Å²	95	70.1 Å²	70.1	62%	0.617	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	138	174.9	-23.2	33.5	0	0	0	111.5	C364 Y368	C364-P366 WeakPolarHBondContact O-CD 3.39Å; P366-Y368 PolarHBondContact O-N 2.64Å
367	G	97.6	Very high	93.9	Very high	13 Å²	13	67.2 Å²	67.2	13%	0.134	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	18.3	-179.9	0	0	0	0	0	114.6	T186 S187 L365 G369 K370 S371	T186-G367 PolarHBondContact O-N 3.26Å; S187-G367 CarbonylContact O-C 3.56Å; L365-G367 PolarHBondContact O-N 2.66Å; G367-G369 VanDerWaalsContact C-N 3.32Å; G367-G369 PolarHBondContact O-N 3.28Å; G367-K370 WeakPolarHBondContact O-CB 3.5Å; G367-K370 PolarHBondContact O-N 3.25Å; G367-K370 VanDerWaalsContact O-N 3.11Å; G367-S371 PolarHBondContact O-N 2.97Å
368	Y	97.9	Very high	93.7	Very high	22 Å²	22	70.4 Å²	70.4	9%	0.086	36%	0.361	C	S	.	.	H	α-helix	trans	-56.3	-43.8	-176.6	-170.1	-113.2	0	0	0	112.8	S187 A244 M266 K267 D284 L365 P366 K370 S371 L372	S187-Y368 PolarHBondContact O-N 2.68Å; A244-Y368 HydrophobicContact CB-CD1 4.14Å; A244-Y368 HydrophobicContact CB-CG 4.18Å; M266-Y368 HydrophobicContact CB-CD1 4.07Å; M266-Y368 HydrophobicContact CB-CE1 4.19Å; K267-Y368 HydrophobicContact CB-CD1 4.48Å; K267-Y368 HydrophobicContact CB-CE1 3.61Å; K267-Y368 HydrophobicContact CD-CE1 4.22Å; K267-Y368 HydrophobicContact CD-CE2 4.42Å; K267-Y368 HydrophobicContact CG-CE1 4.24Å; K267-Y368 PolarHBondContact NZ-OH 3.44Å; K267-Y368 VanDerWaalsContact NZ-OH 3.14Å; D284-Y368 WeakPolarHBondContact CB-OH 3.48Å; D284-Y368 PolarHBondContact OD2-OH 2.72Å; D284-Y368 VanDerWaalsContact OD2-OH 3.05Å; L365-Y368 HydrophobicContact CB-CD2 3.95Å; L365-Y368 HydrophobicContact CB-CG 4.12Å; L365-Y368 HydrophobicContact CD1-CD2 3.58Å; L365-Y368 HydrophobicContact CD1-CE2 3.68Å; L365-Y368 HydrophobicContact CD1-CG 4.18Å; L365-Y368 HydrophobicContact CG-CD2 4.4Å; L365-Y368 WeakPolarHBondContact O-CB 3.4Å; L365-Y368 PolarHBondContact O-N 2.87Å; P366-Y368 PolarHBondContact O-N 2.64Å; Y368-K370 VanDerWaalsContact C-N 3.34Å; Y368-K370 PolarHBondContact O-N 2.95Å; Y368-S371 WeakPolarHBondContact O-CB 3.31Å; Y368-S371 PolarHBondContact O-N 2.89Å; Y368-S371 PolarHBondContact O-OG 2.87Å; Y368-L372 HydrophobicContact CD1-CD1 4.03Å; Y368-L372 HydrophobicContact CD1-CG 4.29Å; Y368-L372 HydrophobicContact CE1-CD1 3.73Å; Y368-L372 HydrophobicContact CE1-CD2 4Å; Y368-L372 HydrophobicContact CE1-CG 4.03Å; Y368-L372 HydrophobicContact CE2-CD2 4.28Å; Y368-L372 WeakPolarHBondContact O-CG 3.36Å; Y368-L372 PolarHBondContact O-N 2.75Å; Y368-L372 VanDerWaalsContact O-N 3.13Å
369	G	98	Very high	93.5	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-55	-47.4	175.7	0	0	0	0	0	112.3	S187 Y192 G367 S371 L372	S187-G369 WeakPolarHBondContact O-CA 3.35Å; S187-G369 PolarHBondContact O-N 2.79Å; Y192-G369 WeakPolarHBondContact CB-O 3.42Å; Y192-G369 WeakPolarHBondContact CD2-O 3.5Å; G367-G369 VanDerWaalsContact C-N 3.32Å; G367-G369 PolarHBondContact O-N 3.28Å; G369-S371 VanDerWaalsContact C-N 3.33Å; G369-S371 PolarHBondContact O-N 2.7Å; G369-L372 PolarHBondContact O-N 3.44Å
370	K	97.5	Very high	93.3	Very high	121 Å²	121	72.6 Å²	72.6	53%	0.526	38%	0.377	S	S	.	.	H	α-helix	trans	-61	-41.3	174.4	-174.1	-178.8	178.7	178.7	0	112.2	Q188 L191 G367 Y368 L372 I373	Q188-K370 HydrophobicContact CB-CB 4.15Å; Q188-K370 VanDerWaalsContact OE1-CD 3.25Å; L191-K370 HydrophobicContact CD1-CB 4.11Å; L191-K370 HydrophobicContact CD1-CD 3.9Å; L191-K370 HydrophobicContact CD1-CG 4.08Å; G367-K370 WeakPolarHBondContact O-CB 3.5Å; G367-K370 PolarHBondContact O-N 3.25Å; G367-K370 VanDerWaalsContact O-N 3.11Å; Y368-K370 VanDerWaalsContact C-N 3.34Å; Y368-K370 PolarHBondContact O-N 2.95Å; K370-L372 PolarHBondContact O-N 3.34Å; K370-I373 WeakPolarHBondContact O-CB 3.44Å; K370-I373 PolarHBondContact O-N 3.02Å; K370-I373 VanDerWaalsContact O-N 3.16Å
371	S	97.3	Very high	93	Very high	65 Å²	65	73.4 Å²	73.4	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-62.3	-25.5	179.7	81.4	0	0	0	0	113.4	G367 Y368 G369 I373	G367-S371 PolarHBondContact O-N 2.97Å; Y368-S371 WeakPolarHBondContact O-CB 3.31Å; Y368-S371 PolarHBondContact O-N 2.89Å; Y368-S371 PolarHBondContact O-OG 2.87Å; G369-S371 VanDerWaalsContact C-N 3.33Å; G369-S371 PolarHBondContact O-N 2.7Å; S371-I373 VanDerWaalsContact C-N 3.32Å; S371-I373 PolarHBondContact O-N 2.92Å
372	L	97.7	Very high	92.8	Very high	4 Å²	4	71.8 Å²	71.8	2%	0.021	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11	178.7	-64.3	178.2	0	0	0	113.9	Y192 A283 D284 Y368 G369 K370	Y192-L372 HydrophobicContact CD2-CB 3.53Å; Y192-L372 HydrophobicContact CD2-CD1 4.39Å; Y192-L372 HydrophobicContact CE2-CB 3.45Å; Y192-L372 VanDerWaalsContact CE2-CB 3.45Å; Y192-L372 HydrophobicContact CE2-CD1 4.28Å; A283-L372 HydrophobicContact CB-CD1 3.95Å; D284-L372 HydrophobicContact CB-CD2 3.74Å; Y368-L372 HydrophobicContact CD1-CD1 4.03Å; Y368-L372 HydrophobicContact CD1-CG 4.29Å; Y368-L372 HydrophobicContact CE1-CD1 3.73Å; Y368-L372 HydrophobicContact CE1-CD2 4Å; Y368-L372 HydrophobicContact CE1-CG 4.03Å; Y368-L372 HydrophobicContact CE2-CD2 4.28Å; Y368-L372 WeakPolarHBondContact O-CG 3.36Å; Y368-L372 PolarHBondContact O-N 2.75Å; Y368-L372 VanDerWaalsContact O-N 3.13Å; G369-L372 PolarHBondContact O-N 3.44Å; K370-L372 PolarHBondContact O-N 3.34Å
373	I	97.3	Very high	92.5	Very high	24 Å²	24	75.6 Å²	75.6	12%	0.123	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-46.2	-176	-67.6	169.9	0	0	0	112.1	L191 Y192 E195 P289 K370 S371	L191-I373 HydrophobicContact CB-CD1 4.19Å; L191-I373 WeakPolarHBondContact O-CD1 3.44Å; Y192-I373 HydrophobicContact CD2-CG1 4.12Å; E195-I373 HydrophobicContact CB-CD1 4.21Å; E195-I373 HydrophobicContact CB-CG1 4.18Å; E195-I373 HydrophobicContact CB-CG2 4.35Å; E195-I373 HydrophobicContact CG-CG1 4.49Å; E195-I373 HydrophobicContact CG-CG2 3.83Å; P289-I373 WeakPolarHBondContact CD-O 3.16Å; P289-I373 HydrophobicContact CG-CG1 4.41Å; K370-I373 WeakPolarHBondContact O-CB 3.44Å; K370-I373 PolarHBondContact O-N 3.02Å; K370-I373 VanDerWaalsContact O-N 3.16Å; S371-I373 VanDerWaalsContact C-N 3.32Å; S371-I373 PolarHBondContact O-N 2.92Å
374	N	82.6	Confident	92.1	Very high	145 Å²	145	73.2 Å²	73.2	78%	0.775	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	62.1	-174.3	-69.2	-35.9	0	0	0	110.8
375	R	80.3	Confident	91.6	Very high	111 Å²	111	77.5 Å²	77.5	42%	0.419	39%	0.387	S	S	.	.			trans	-78.5	124.3	172.4	-61.7	-179.5	73.4	-171.9	1.6	108.3	D284	D284-R375 PolarHBondContact O-NH1 3.26Å
376	K	58.5	Low	91.1	Very high	268 Å²	268	78.9 Å²	78.9	100%	1.165	39%	0.393	S	S	*	.			trans	-67.2	0	175.5	-72.3	-172.5	177.5	-177.5	0	111.1

Retrieved 376 of 376 residues in 252.4 ms (Link to these results)

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