A0A077Z5S4_TRITR Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z5S4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 365 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	40.1	Very low	34.4	Very low	230 Å²	230	145.5 Å²	145.5	100%	1.133	80%	0.803	S	S	*	*				0	121.2	0	-80.8	166.4	72.1	0	0	107.7	T3	M1-T3 PolarHBondContact O-N 3.23Å
2	C	39.4	Very low	33.9	Very low	139 Å²	139	143.2 Å²	143.2	94%	0.939	80%	0.795	S	S	*	*			trans	-76.1	100.7	-179.4	-154.6	0	0	0	0	108
3	T	37.3	Very low	33.6	Very low	124 Å²	124	140 Å²	140	76%	0.761	79%	0.785	S	S	*	*			trans	-89.3	110.5	175.3	27.8	0	0	0	0	108.9	M1 V5	M1-T3 PolarHBondContact O-N 3.23Å; T3-V5 PolarHBondContact O-N 3.13Å
4	M	36	Very low	33.2	Very low	173 Å²	173	141.9 Å²	141.9	85%	0.852	79%	0.791	S	S	*	*			trans	-48.2	116.8	172.6	-76.7	168.3	75.6	0	0	110.7	I6	M4-I6 PolarHBondContact O-N 3.2Å; M4-I6 VanDerWaalsContact O-N 3.13Å
5	V	39.4	Very low	33	Very low	142 Å²	142	144.3 Å²	144.3	86%	0.861	79%	0.794	S	S	*	*			trans	-74.1	99.2	162.9	178.2	0	0	0	0	106.5	T3 A7	T3-V5 PolarHBondContact O-N 3.13Å; V5-A7 VanDerWaalsContact C-N 3.33Å; V5-A7 PolarHBondContact O-N 2.99Å
6	I	34.7	Very low	33.1	Very low	135 Å²	135	145.5 Å²	145.5	69%	0.692	79%	0.792	S	S	*	*			trans	-68.3	95.7	169.2	-61.8	175.3	0	0	0	106.4	M4 V8	M4-I6 PolarHBondContact O-N 3.2Å; M4-I6 VanDerWaalsContact O-N 3.13Å; I6-V8 VanDerWaalsContact C-N 3.29Å; I6-V8 HydrophobicContact CG2-CG2 3.91Å; I6-V8 PolarHBondContact O-N 3.49Å
7	A	32.4	Very low	32.8	Very low	67 Å²	67	144.5 Å²	144.5	55%	0.554	79%	0.786	S	S	*	*			trans	-68	93.5	164.9	0	0	0	0	0	107.4	V5 F9	V5-A7 VanDerWaalsContact C-N 3.33Å; V5-A7 PolarHBondContact O-N 2.99Å; A7-F9 HydrophobicContact CB-CD2 4.24Å; A7-F9 HydrophobicContact CB-CE2 4Å; A7-F9 PolarHBondContact O-N 2.97Å
8	V	29.4	Very low	32.8	Very low	111 Å²	111	142.8 Å²	142.8	67%	0.673	78%	0.781	S	S	*	*			trans	-67.3	91.3	167	-180	0	0	0	0	106.4	I6 L10	I6-V8 VanDerWaalsContact C-N 3.29Å; I6-V8 HydrophobicContact CG2-CG2 3.91Å; I6-V8 PolarHBondContact O-N 3.49Å; V8-L10 HydrophobicContact CG1-CG 4.44Å; V8-L10 PolarHBondContact O-N 2.86Å
9	F	30	Very low	32.7	Very low	175 Å²	175	145.7 Å²	145.7	77%	0.768	78%	0.779	S	S	*	*			trans	-64.9	93.5	163.7	-78.6	-87	0	0	0	107.1	A7 L11	A7-F9 HydrophobicContact CB-CD2 4.24Å; A7-F9 HydrophobicContact CB-CE2 4Å; A7-F9 PolarHBondContact O-N 2.97Å; F9-L11 PolarHBondContact O-N 3.1Å
10	L	28.8	Very low	32.6	Very low	148 Å²	148	144.9 Å²	144.9	78%	0.775	77%	0.77	S	S	*	*			trans	-59.5	88.3	158.2	-77.9	161.1	0	0	0	106.9	V8 V12	V8-L10 HydrophobicContact CG1-CG 4.44Å; V8-L10 PolarHBondContact O-N 2.86Å; L10-V12 PolarHBondContact O-N 2.99Å
11	L	30.7	Very low	32.5	Very low	157 Å²	157	142 Å²	142	82%	0.822	75%	0.754	S	S	*	*			trans	-66.6	77.9	160.1	-73.2	165.8	0	0	0	106.6	F9 P13	F9-L11 PolarHBondContact O-N 3.1Å; L11-P13 VanDerWaalsContact O-CD 3.31Å; L11-P13 WeakPolarHBondContact O-CD 3.38Å
12	V	28.7	Very low	31.9	Very low	117 Å²	117	135.8 Å²	135.8	71%	0.709	72%	0.722	S	S	*	*			trans	-56.8	117.5	157.7	178.4	0	0	0	0	104.7	L10 L14	L10-V12 PolarHBondContact O-N 2.99Å; V12-L14 PolarHBondContact O-N 3.22Å; V12-L14 VanDerWaalsContact O-N 3.09Å
13	P	29.3	Very low	31.7	Very low	102 Å²	102	131.3 Å²	131.3	66%	0.662	69%	0.689	S	S	*	*			trans	-56	125.2	175.3	-17.2	29.1	0	0	0	106.3	L11 E15	L11-P13 VanDerWaalsContact O-CD 3.31Å; L11-P13 WeakPolarHBondContact O-CD 3.38Å; P13-E15 PolarHBondContact O-N 2.82Å
14	L	29	Very low	31.4	Very low	167 Å²	167	131.4 Å²	131.4	87%	0.874	68%	0.684	S	S	*	*			trans	-57.5	87.3	159.8	-88.6	140.8	0	0	0	105.5	V12 Q16	V12-L14 PolarHBondContact O-N 3.22Å; V12-L14 VanDerWaalsContact O-N 3.09Å; L14-Q16 PolarHBondContact O-N 2.68Å
15	E	29.9	Very low	31.6	Very low	178 Å²	178	130 Å²	130	83%	0.832	67%	0.67	S	S	*	*			trans	-53.2	93.2	154.4	-78.4	-178.3	166	0	0	103.8	P13 N17	P13-E15 PolarHBondContact O-N 2.82Å; E15-N17 VanDerWaalsContact C-N 3.28Å; E15-N17 PolarHBondContact O-N 3.02Å
16	Q	33.7	Very low	31.5	Very low	163 Å²	163	132.3 Å²	132.3	76%	0.762	66%	0.663	S	S	*	*			trans	-51.1	110.5	165.1	-74.6	-176.6	-17.7	0	0	103.5	L14 T18	L14-Q16 PolarHBondContact O-N 2.68Å; Q16-T18 PolarHBondContact O-N 2.91Å; Q16-T18 PolarHBondContact O-OG1 2.91Å
17	N	29	Very low	31.7	Very low	129 Å²	129	133.4 Å²	133.4	69%	0.69	67%	0.669	S	S	*	*			trans	-67.3	62.5	174.9	-150.8	0.7	0	0	0	106.7	E15 R19	E15-N17 VanDerWaalsContact C-N 3.28Å; E15-N17 PolarHBondContact O-N 3.02Å; N17-R19 PolarHBondContact O-N 3.17Å; N17-R19 WeakPolarHBondContact OD1-CG 3.34Å
18	T	32	Very low	32.4	Very low	113 Å²	113	131.4 Å²	131.4	69%	0.693	65%	0.653	S	S	*	*			trans	-64.2	77.7	144.1	54.8	0	0	0	0	103.4	Q16 E20	Q16-T18 PolarHBondContact O-N 2.91Å; Q16-T18 PolarHBondContact O-OG1 2.91Å; T18-E20 PolarHBondContact O-N 3.1Å
19	R	30.6	Very low	33.3	Very low	199 Å²	199	137.4 Å²	137.4	75%	0.751	66%	0.664	S	S	*	*			trans	-48.6	100.6	148.8	-76.9	-175.8	170.9	177.7	-2.7	102.8	N17 I21	N17-R19 PolarHBondContact O-N 3.17Å; N17-R19 WeakPolarHBondContact OD1-CG 3.34Å; R19-I21 PolarHBondContact O-N 3.47Å
20	E	30.9	Very low	34.3	Very low	128 Å²	128	136.8 Å²	136.8	60%	0.598	67%	0.668	S	S	*	*			trans	-43.8	109.4	153.4	-73.4	-171.9	132.1	0	0	102.6	T18 E22	T18-E20 PolarHBondContact O-N 3.1Å; E20-E22 HydrophobicContact CB-CG 4.31Å; E20-E22 PolarHBondContact O-N 2.99Å
21	I	31.2	Very low	35.6	Very low	84 Å²	84	132.6 Å²	132.6	43%	0.431	65%	0.649	S	S	.	*			trans	-63.8	83.7	157.1	-62.4	172.8	0	0	0	101.3	R19 L23	R19-I21 PolarHBondContact O-N 3.47Å; I21-L23 HydrophobicContact CG2-CD1 3.65Å; I21-L23 PolarHBondContact O-N 2.84Å
22	E	27.2	Very low	37	Very low	101 Å²	101	134.3 Å²	134.3	47%	0.472	65%	0.65	S	S	.	*			trans	-56.8	83.9	155.1	-76.9	-168	135	0	0	103	E20 N24 R26	E20-E22 HydrophobicContact CB-CG 4.31Å; E20-E22 PolarHBondContact O-N 2.99Å; E22-N24 PolarHBondContact O-N 2.7Å; E22-R26 IonicContact OE1-CZ 3.33Å; E22-R26 IonicContact OE1-NE 2.84Å; E22-R26 IonicContact OE1-NH1 3.7Å; E22-R26 PolarHBondContact OE1-NH1 2.66Å; E22-R26 IonicContact OE1-NH2 2.81Å
23	L	35.2	Very low	38.7	Very low	44 Å²	44	135.4 Å²	135.4	23%	0.23	65%	0.645	C	S	.	*			trans	-52	115.1	159.4	-123.6	80.5	0	0	0	103.1	I21 W25 M309	I21-L23 HydrophobicContact CG2-CD1 3.65Å; I21-L23 PolarHBondContact O-N 2.84Å; L23-W25 PolarHBondContact O-N 3.1Å; L23-M309 HydrophobicContact CD1-CE 4.15Å
24	N	30.6	Very low	40.6	Very low	126 Å²	126	134.3 Å²	134.3	67%	0.674	63%	0.63	S	S	*	*	S	Bend	trans	-61.7	69.6	178.6	-95.1	-20.8	0	0	0	111	E22	E22-N24 PolarHBondContact O-N 2.7Å
25	W	41.2	Very low	42.8	Very low	143 Å²	143	130.5 Å²	130.5	54%	0.542	63%	0.631	S	S	.	*			trans	-102	-6.5	160.7	-68.3	125.4	0	0	0	110.9	L23 L27 A28	L23-W25 PolarHBondContact O-N 3.1Å; W25-L27 PolarHBondContact O-N 3.34Å; W25-A28 HydrophobicContact CE3-CB 4.44Å; W25-A28 VanDerWaalsContact O-CB 3.29Å; W25-A28 WeakPolarHBondContact O-CB 3.43Å; W25-A28 PolarHBondContact O-N 3.23Å
26	R	36.5	Very low	45.4	Very low	191 Å²	191	125.3 Å²	125.3	72%	0.721	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-10.9	173.8	-81.7	-173.2	171.5	-174.9	-4.3	114.5	E22	E22-R26 IonicContact OE1-CZ 3.33Å; E22-R26 IonicContact OE1-NE 2.84Å; E22-R26 IonicContact OE1-NH1 3.7Å; E22-R26 PolarHBondContact OE1-NH1 2.66Å; E22-R26 IonicContact OE1-NH2 2.81Å
27	L	40	Very low	48.1	Very low	158 Å²	158	123.5 Å²	123.5	83%	0.827	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	7.3	172.9	-81.3	162.8	0	0	0	114.3	W25 R29	W25-L27 PolarHBondContact O-N 3.34Å; L27-R29 PolarHBondContact O-N 3.18Å
28	A	45.6	Very low	51.3	Low	26 Å²	26	117.4 Å²	117.4	22%	0.215	57%	0.567	C	S	.	*			trans	-100.1	34.2	-173.9	0	0	0	0	0	113.4	W25 D30 V31	W25-A28 HydrophobicContact CE3-CB 4.44Å; W25-A28 VanDerWaalsContact O-CB 3.29Å; W25-A28 WeakPolarHBondContact O-CB 3.43Å; W25-A28 PolarHBondContact O-N 3.23Å; A28-D30 PolarHBondContact O-N 3.28Å; A28-V31 HydrophobicContact CB-CG2 3.4Å; A28-V31 VanDerWaalsContact CB-CG2 3.4Å; A28-V31 WeakPolarHBondContact O-CG2 3.31Å; A28-V31 PolarHBondContact O-N 3.16Å
29	R	49.1	Very low	54.4	Low	237 Å²	237	112.9 Å²	112.9	89%	0.894	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23	174.7	-72.9	-172	-163.8	170.7	5.2	112.7	L27	L27-R29 PolarHBondContact O-N 3.18Å
30	D	52.2	Low	57.6	Low	161 Å²	161	103.4 Å²	103.4	86%	0.861	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	27.9	179.9	-61.7	-34	0	0	0	113.4	A28 K32	A28-D30 PolarHBondContact O-N 3.28Å; D30-K32 PolarHBondContact O-N 3.5Å
31	V	54.1	Low	60.8	Low	61 Å²	61	97.3 Å²	97.3	37%	0.37	48%	0.475	S	S	.	.			trans	-76.9	116.3	172.5	-170.8	0	0	0	0	109.6	A28 K33 Q61	A28-V31 HydrophobicContact CB-CG2 3.4Å; A28-V31 VanDerWaalsContact CB-CG2 3.4Å; A28-V31 WeakPolarHBondContact O-CG2 3.31Å; A28-V31 PolarHBondContact O-N 3.16Å; V31-K33 PolarHBondContact O-N 2.87Å; V31-Q61 HydrophobicContact CB-CB 4.23Å; V31-Q61 HydrophobicContact CG1-CB 3.27Å; V31-Q61 HydrophobicContact CG1-CG 4.46Å
32	K	62.1	Low	64	Low	193 Å²	193	93.4 Å²	93.4	84%	0.839	45%	0.454	S	S	*	.			trans	-53	105.6	169	-173.2	178.8	-178.1	-179.6	0	108.9	D30	D30-K32 PolarHBondContact O-N 3.5Å
33	K	64.1	Low	67.4	Low	140 Å²	140	89.5 Å²	89.5	61%	0.609	44%	0.435	S	S	*	.			trans	-70.6	148.1	176.6	-69.2	-172	175.6	-173.8	0	110.5	V31 G35 P60	V31-K33 PolarHBondContact O-N 2.87Å; K33-G35 PolarHBondContact O-N 2.95Å; K33-P60 WeakPolarHBondContact CE-O 3.4Å
34	F	68.6	Low	70.3	Confident	79 Å²	79	88.2 Å²	88.2	35%	0.346	43%	0.429	S	S	.	.			trans	-59.5	132.5	163.6	-76	-97.3	0	0	0	109.1	R36 Q61 L62 S63 H327	F34-R36 VanDerWaalsContact C-N 3.34Å; F34-Q61 PolarHBondContact N-O 2.96Å; F34-L62 HydrophobicContact CD2-CD2 3.76Å; F34-L62 HydrophobicContact CE2-CD2 3.53Å; F34-L62 HydrophobicContact CZ-CD2 4.47Å; F34-S63 PolarHBondContact O-OG 3.44Å; F34-H327 WeakPolarHBondContact CB-ND1 3.33Å; F34-H327 HydrophobicContact CD1-CB 3.94Å; F34-H327 AromaticContact CD1-CG 3.86Å; F34-H327 AromaticContact CD1-ND1 3.62Å; F34-H327 HydrophobicContact CE1-CB 3.94Å; F34-H327 HydrophobicContact CG-CB 4.33Å; F34-H327 AromaticContact CG-CG 3.84Å; F34-H327 AromaticContact CG-ND1 3.6Å; F34-H327 HydrophobicContact CZ-CB 4.33Å
35	G	74.6	Confident	73.5	Confident	86 Å²	86	85.2 Å²	85.2	89%	0.887	41%	0.413	S	S	*	.	S	Bend	trans	-75.1	-20.8	-176.4	0	0	0	0	0	114.3	K33	K33-G35 PolarHBondContact O-N 2.95Å
36	R	85.3	Confident	76	Confident	70 Å²	70	79.5 Å²	79.5	26%	0.264	39%	0.392	S	S	.	.	S	Bend	trans	-87	143.7	174.3	-171.7	169.7	67.2	173.8	2.2	109	F34 E38 S63 L326 H327 K329 S331	F34-R36 VanDerWaalsContact C-N 3.34Å; R36-E38 IonicContact CZ-OE1 2.94Å; R36-E38 IonicContact NE-OE1 2.61Å; R36-E38 PolarHBondContact NE-OE1 2.75Å; R36-E38 IonicContact NH2-OE1 2.8Å; R36-E38 PolarHBondContact NH2-OE1 3.11Å; R36-S63 WeakPolarHBondContact O-CB 3.04Å; R36-L326 PolarHBondContact NH2-O 3.18Å; R36-H327 PolarHBondContact O-CE1 3.16Å; R36-K329 PolarHBondContact NH1-O 3.46Å; R36-K329 PolarHBondContact NH2-O 2.8Å; R36-K329 VanDerWaalsContact NH2-O 3.1Å; R36-S331 VanDerWaalsContact NH1-CA 3.32Å; R36-S331 PolarHBondContact NH1-OG 2.86Å
37	N	91.2	Very high	78.6	Confident	125 Å²	125	75.1 Å²	75.1	67%	0.668	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-102.2	125.6	171	-74.8	-15.2	0	0	0	109.3	S63	N37-S63 WeakPolarHBondContact OD1-CB 3.46Å
38	E	94.5	Very high	81.1	Confident	1 Å²	1	70 Å²	70	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.5	173.9	-54.1	-64	155	0	0	110.2	R36 S63 C64 H65 S77 L326 H327 K329	R36-E38 IonicContact CZ-OE1 2.94Å; R36-E38 IonicContact NE-OE1 2.61Å; R36-E38 PolarHBondContact NE-OE1 2.75Å; R36-E38 IonicContact NH2-OE1 2.8Å; R36-E38 PolarHBondContact NH2-OE1 3.11Å; E38-S63 PolarHBondContact N-O 3.15Å; E38-C64 CarbonylContact O-C 3.58Å; E38-C64 WeakPolarHBondContact O-CA 3.35Å; E38-H65 PolarHBondContact O-N 3.44Å; E38-S77 WeakPolarHBondContact OE2-CB 3.08Å; E38-S77 PolarHBondContact OE2-OG 3.15Å; E38-L326 HydrophobicContact CB-CB 4.22Å; E38-L326 HydrophobicContact CB-CD1 4.31Å; E38-L326 HydrophobicContact CG-CB 3.79Å; E38-H327 IonicContact OE1-CE1 3.98Å; E38-H327 IonicContact OE1-ND1 3.83Å; E38-K329 IonicContact OE2-NZ 3.84Å
39	T	97	Very high	83.3	Confident	18 Å²	18	75.4 Å²	75.4	11%	0.11	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.5	171.9	-60.4	0	0	0	0	109.7	H65 T67 S76 S77 A78	T39-H65 CarbonylContact C-O 3.59Å; T39-H65 WeakPolarHBondContact CA-O 3.43Å; T39-T67 HydrophobicContact CG2-CG2 3.65Å; T39-S76 CarbonylContact O-C 3.53Å; T39-S76 WeakPolarHBondContact O-CA 3.37Å; T39-S77 PolarHBondContact O-N 2.98Å; T39-A78 PolarHBondContact O-N 3.24Å
40	I	98.3	Very high	85.4	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.6	173.9	-62.8	170.1	0	0	0	107.3	F56 H65 I66 T67 A78 V80 F319 L322 L326	I40-F56 HydrophobicContact CD1-CE1 4.34Å; I40-F56 HydrophobicContact CD1-CZ 4.04Å; I40-H65 PolarHBondContact N-O 2.66Å; I40-I66 CarbonylContact O-C 3.58Å; I40-I66 WeakPolarHBondContact O-CA 3.31Å; I40-T67 PolarHBondContact O-N 2.04Å; I40-A78 HydrophobicContact CG1-CB 4.48Å; I40-V80 HydrophobicContact CG2-CG2 3.66Å; I40-F319 HydrophobicContact CG2-CE1 4.33Å; I40-L322 HydrophobicContact CD1-CD2 4.05Å; I40-L322 HydrophobicContact CD1-CG 4.14Å; I40-L322 HydrophobicContact CG2-CD2 4.21Å; I40-L326 HydrophobicContact CD1-CD1 4.07Å; I40-L326 HydrophobicContact CG1-CD1 3.7Å
41	L	98.5	Very high	87.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	118.6	175.5	172.8	61.1	0	0	0	109.8	W43 T67 D69 I73 S76 A78 V79 V80	L41-W43 HydrophobicContact CD2-CE3 4Å; L41-W43 HydrophobicContact CD2-CZ3 4.23Å; L41-W43 PolarHBondContact O-N 3.13Å; L41-T67 CarbonylContact C-O 3.43Å; L41-T67 WeakPolarHBondContact CA-O 3.33Å; L41-T67 HydrophobicContact CB-CG2 4.35Å; L41-T67 HydrophobicContact CD1-CG2 4.08Å; L41-D69 WeakPolarHBondContact CD1-O 3.48Å; L41-I73 HydrophobicContact CD2-CB 3.94Å; L41-I73 HydrophobicContact CD2-CG1 4.32Å; L41-S76 WeakPolarHBondContact CB-OG 3.41Å; L41-A78 PolarHBondContact N-O 3.42Å; L41-V79 HydrophobicContact CB-CG2 4.41Å; L41-V79 HydrophobicContact CD2-CG1 4.25Å; L41-V79 HydrophobicContact CD2-CG2 4.31Å; L41-V79 HydrophobicContact CG-CG1 4.29Å; L41-V79 CarbonylContact O-C 3.53Å; L41-V79 VanDerWaalsContact O-CA 3.27Å; L41-V79 WeakPolarHBondContact O-CA 3.3Å; L41-V80 PolarHBondContact O-N 2.81Å
42	M	98.4	Very high	89.4	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	110.5	164.9	-66	-64.5	-59.1	0	0	108.2	V44 F51 I66 T67 Y68 V80 F104 F319	M42-V44 VanDerWaalsContact C-N 3.26Å; M42-V44 PolarHBondContact O-N 2.82Å; M42-F51 HydrophobicContact CE-CD2 4.01Å; M42-F51 HydrophobicContact CE-CE2 3.89Å; M42-F51 HydrophobicContact SD-CD2 4.32Å; M42-I66 HydrophobicContact CG-CD1 3.68Å; M42-I66 HydrophobicContact CG-CG1 3.82Å; M42-I66 HydrophobicContact SD-CD1 4.13Å; M42-T67 PolarHBondContact N-O 3.27Å; M42-Y68 HydrophobicContact CB-CD1 3.54Å; M42-Y68 HydrophobicContact CB-CD2 4.5Å; M42-Y68 HydrophobicContact CB-CE1 3.21Å; M42-Y68 HydrophobicContact CB-CE2 4.23Å; M42-Y68 HydrophobicContact CB-CG 4.17Å; M42-Y68 HydrophobicContact CG-CD1 4.47Å; M42-Y68 HydrophobicContact CG-CE1 3.81Å; M42-Y68 HydrophobicContact CG-CE2 4.18Å; M42-V80 HydrophobicContact CE-CB 4.39Å; M42-V80 HydrophobicContact CE-CG1 4.09Å; M42-V80 HydrophobicContact SD-CB 3.62Å; M42-V80 HydrophobicContact SD-CG1 3.79Å; M42-V80 HydrophobicContact SD-CG2 4.19Å; M42-F104 HydrophobicContact CE-CD1 4.41Å; M42-F319 HydrophobicContact CE-CZ 4.41Å; M42-F319 HydrophobicContact SD-CE1 3.83Å; M42-F319 HydrophobicContact SD-CZ 3.73Å
43	W	98.1	Very high	91	Very high	20 Å²	20	55.6 Å²	55.6	8%	0.076	30%	0.301	C	S	.	.	S	Bend	trans	-67.3	-31.2	-176.5	-170.9	-108.3	0	0	0	113.1	L41 R70 I73 V79 V80 F81 D90 P92	L41-W43 HydrophobicContact CD2-CE3 4Å; L41-W43 HydrophobicContact CD2-CZ3 4.23Å; L41-W43 PolarHBondContact O-N 3.13Å; W43-R70 HydrophobicContact CE3-CG 4.36Å; W43-R70 HydrophobicContact CH2-CG 4.37Å; W43-R70 HydrophobicContact CZ3-CB 4.32Å; W43-R70 HydrophobicContact CZ3-CG 4.03Å; W43-R70 PolarHBondContact O-NH2 3.41Å; W43-I73 HydrophobicContact CZ3-CD1 3.97Å; W43-V79 HydrophobicContact CB-CG1 3.87Å; W43-V79 HydrophobicContact CD2-CG1 4.43Å; W43-V79 HydrophobicContact CE3-CG1 4Å; W43-V79 HydrophobicContact CG-CG1 4.42Å; W43-V80 PolarHBondContact N-O 2.82Å; W43-F81 HydrophobicContact CB-CD1 3.66Å; W43-F81 HydrophobicContact CB-CE1 3.62Å; W43-F81 HydrophobicContact CB-CG 4.36Å; W43-F81 HydrophobicContact CB-CZ 4.26Å; W43-F81 AromaticContact CD1-CD1 3.65Å; W43-F81 AromaticContact CD1-CE1 3.44Å; W43-F81 VanDerWaalsContact CD1-CE1 3.44Å; W43-F81 HydrophobicContact CD2-CE1 4.02Å; W43-F81 AromaticContact CG-CD1 3.76Å; W43-F81 HydrophobicContact CG-CD1 3.76Å; W43-F81 AromaticContact CG-CE1 3.38Å; W43-F81 HydrophobicContact CG-CE1 3.38Å; W43-F81 HydrophobicContact CG-CZ 4.21Å; W43-D90 PolarHBondContact NE1-O 2.7Å; W43-P92 HydrophobicContact CD2-CG 4.03Å; W43-P92 HydrophobicContact CE3-CG 3.87Å; W43-P92 HydrophobicContact CH2-CB 4.25Å; W43-P92 HydrophobicContact CH2-CG 3.65Å; W43-P92 HydrophobicContact CZ2-CG 3.8Å; W43-P92 HydrophobicContact CZ3-CG 3.7Å
44	V	97.2	Very high	92.4	Very high	17 Å²	17	54.1 Å²	54.1	10%	0.103	30%	0.296	C	S	.	.	S	Bend	trans	-136.6	155.1	178.3	-68.7	0	0	0	0	110.2	M42 H82 N85	M42-V44 VanDerWaalsContact C-N 3.26Å; M42-V44 PolarHBondContact O-N 2.82Å; V44-H82 HydrophobicContact CG2-CB 4.08Å; V44-N85 HydrophobicContact CB-CB 4.22Å; V44-N85 HydrophobicContact CG2-CB 3.93Å
45	N	95.9	Very high	93.7	Very high	62 Å²	62	51 Å²	51	33%	0.332	28%	0.284	S	S	.	.			trans	-63.9	150.3	173.3	-61.4	2.8	0	0	0	111	F47 G48 H50 N85	N45-F47 PolarHBondContact O-N 3Å; N45-G48 PolarHBondContact ND2-O 3.26Å; N45-H50 VanDerWaalsContact CG-CD2 3.44Å; N45-H50 PolarHBondContact ND2-NE2 3.16Å; N45-H50 PolarHBondContact OD1-CD2 2.84Å; N45-H50 VanDerWaalsContact OD1-CD2 3.29Å; N45-H50 PolarHBondContact OD1-NE2 2.7Å; N45-N85 PolarHBondContact O-OD1 3.46Å
46	F	94.3	Very high	94.6	Very high	24 Å²	24	47.6 Å²	47.6	11%	0.105	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-88.3	100.3	174.4	178.4	-102.6	0	0	0	109	G48 E49 F51 H82 F104 Y315	F46-G48 PolarHBondContact O-N 3.45Å; F46-E49 PolarHBondContact N-O 3.43Å; F46-E49 WeakPolarHBondContact O-CB 3.34Å; F46-E49 PolarHBondContact O-N 3.32Å; F46-F51 HydrophobicContact CB-CE2 3.77Å; F46-F51 HydrophobicContact CB-CZ 3.92Å; F46-F51 HydrophobicContact CD1-CE1 4.35Å; F46-F51 AromaticContact CD1-CZ 3.81Å; F46-F51 HydrophobicContact CD1-CZ 3.81Å; F46-F51 HydrophobicContact CD2-CZ 4.25Å; F46-F51 HydrophobicContact CE1-CZ 4.39Å; F46-F51 HydrophobicContact CG-CE2 4.04Å; F46-F51 AromaticContact CG-CZ 3.72Å; F46-F51 HydrophobicContact CG-CZ 3.72Å; F46-H82 HydrophobicContact CD2-CB 4.48Å; F46-H82 AromaticContact CD2-CD2 3.63Å; F46-H82 AromaticContact CD2-CE1 3.6Å; F46-H82 AromaticContact CD2-CG 3.71Å; F46-H82 AromaticContact CD2-ND1 3.7Å; F46-H82 AromaticContact CD2-NE2 3.59Å; F46-H82 AromaticContact CE2-CD2 3.74Å; F46-H82 AromaticContact CE2-CE1 3.71Å; F46-H82 AromaticContact CE2-NE2 3.38Å; F46-H82 WeakPolarHBondContact CE2-NE2 3.43Å; F46-F104 HydrophobicContact CD2-CD1 4.38Å; F46-F104 AromaticContact CD2-CE1 3.56Å; F46-F104 HydrophobicContact CD2-CE1 3.56Å; F46-F104 HydrophobicContact CD2-CZ 4.2Å; F46-F104 AromaticContact CE2-CE1 3.82Å; F46-F104 HydrophobicContact CE2-CE1 3.82Å; F46-F104 HydrophobicContact CE2-CZ 4.02Å; F46-F104 HydrophobicContact CG-CE1 4.42Å; F46-Y315 HydrophobicContact CE1-CE1 4.19Å; F46-Y315 AromaticContact CE1-CZ 3.89Å; F46-Y315 VanDerWaalsContact CE1-OH 3.31Å; F46-Y315 WeakPolarHBondContact CE1-OH 3.44Å; F46-Y315 HydrophobicContact CZ-CE1 4.06Å; F46-Y315 WeakPolarHBondContact CZ-OH 3.2Å
47	F	92.3	Very high	95	Very high	99 Å²	99	49.8 Å²	49.8	43%	0.434	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	35.1	-173.5	-64.8	-74.2	0	0	0	114.2	N45 E49 H82 R84 N85	N45-F47 PolarHBondContact O-N 3Å; F47-E49 VanDerWaalsContact C-N 3.29Å; F47-H82 AromaticContact CD2-CE1 3.61Å; F47-H82 AromaticContact CE2-CE1 3.34Å; F47-H82 WeakPolarHBondContact CE2-CE1 3.47Å; F47-H82 AromaticContact CE2-NE2 3.66Å; F47-H82 AromaticContact CZ-CE1 3.61Å; F47-H82 AromaticContact CZ-NE2 4Å; F47-R84 HydrophobicContact CE1-CB 4.14Å; F47-R84 HydrophobicContact CE1-CG 4.27Å; F47-R84 HydrophobicContact CZ-CB 4.25Å; F47-R84 HydrophobicContact CZ-CG 4Å; F47-N85 PolarHBondContact N-OD1 2.93Å
48	G	91.3	Very high	95	Very high	51 Å²	51	47.1 Å²	47.1	53%	0.526	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-13.3	-178.1	0	0	0	0	0	114.5	N45 F46	N45-G48 PolarHBondContact ND2-O 3.26Å; F46-G48 PolarHBondContact O-N 3.45Å
49	E	92.6	Very high	95	Very high	139 Å²	139	47.2 Å²	47.2	65%	0.65	25%	0.245	S	C	*	.	B	Isolated β-bridge	trans	-94.5	156.6	-179.1	-60.4	-64.1	158.2	0	0	112.6	F46 F47	F46-E49 PolarHBondContact N-O 3.43Å; F46-E49 WeakPolarHBondContact O-CB 3.34Å; F46-E49 PolarHBondContact O-N 3.32Å; F47-E49 VanDerWaalsContact C-N 3.29Å
50	H	94	Very high	94.8	Very high	109 Å²	109	48.7 Å²	48.7	51%	0.505	26%	0.255	S	S	.	.			trans	-104.8	140.1	172.3	-69.4	179.6	0	0	0	110.9	N45 Y68	N45-H50 VanDerWaalsContact CG-CD2 3.44Å; N45-H50 PolarHBondContact ND2-NE2 3.16Å; N45-H50 PolarHBondContact OD1-CD2 2.84Å; N45-H50 VanDerWaalsContact OD1-CD2 3.29Å; N45-H50 PolarHBondContact OD1-NE2 2.7Å; H50-Y68 WeakPolarHBondContact CA-OH 3.42Å; H50-Y68 HydrophobicContact CB-CD2 4.28Å; H50-Y68 HydrophobicContact CB-CE2 3.72Å; H50-Y68 AromaticContact CD2-CD1 3.7Å; H50-Y68 AromaticContact CD2-CE1 3.58Å; H50-Y68 AromaticContact CD2-CE2 3.99Å; H50-Y68 AromaticContact CD2-CG 3.96Å; H50-Y68 AromaticContact CD2-CZ 3.74Å; H50-Y68 AromaticContact CE1-CG 4Å; H50-Y68 AromaticContact CG-CD2 3.92Å; H50-Y68 AromaticContact CG-CE2 3.79Å; H50-Y68 AromaticContact CG-CZ 3.95Å; H50-Y68 AromaticContact NE2-CD1 3.68Å; H50-Y68 AromaticContact NE2-CG 3.81Å
51	F	95.2	Very high	94.5	Very high	24 Å²	24	51.4 Å²	51.4	11%	0.105	27%	0.267	C	S	.	.			trans	-79.8	131.3	163.5	-65.9	-60.2	0	0	0	109.2	M42 F46 L55 I66 Y68 F104 Y315 F319	M42-F51 HydrophobicContact CE-CD2 4.01Å; M42-F51 HydrophobicContact CE-CE2 3.89Å; M42-F51 HydrophobicContact SD-CD2 4.32Å; F46-F51 HydrophobicContact CB-CE2 3.77Å; F46-F51 HydrophobicContact CB-CZ 3.92Å; F46-F51 HydrophobicContact CD1-CE1 4.35Å; F46-F51 AromaticContact CD1-CZ 3.81Å; F46-F51 HydrophobicContact CD1-CZ 3.81Å; F46-F51 HydrophobicContact CD2-CZ 4.25Å; F46-F51 HydrophobicContact CE1-CZ 4.39Å; F46-F51 HydrophobicContact CG-CE2 4.04Å; F46-F51 AromaticContact CG-CZ 3.72Å; F46-F51 HydrophobicContact CG-CZ 3.72Å; F51-L55 HydrophobicContact CB-CD1 3.56Å; F51-L55 HydrophobicContact CB-CG 4.38Å; F51-L55 HydrophobicContact CD1-CD1 4.12Å; F51-L55 HydrophobicContact CG-CD1 3.9Å; F51-I66 HydrophobicContact CB-CD1 3.79Å; F51-I66 HydrophobicContact CD2-CD1 4.27Å; F51-I66 HydrophobicContact CG-CD1 4.45Å; F51-Y68 WeakPolarHBondContact CD2-OH 3.34Å; F51-Y68 PolarHBondContact N-OH 3.36Å; F51-F104 HydrophobicContact CE2-CE1 4Å; F51-F104 HydrophobicContact CZ-CE1 4.16Å; F51-F104 HydrophobicContact CZ-CZ 4.34Å; F51-Y315 AromaticContact CE1-CD1 3.76Å; F51-Y315 HydrophobicContact CE1-CD1 3.76Å; F51-Y315 HydrophobicContact CE1-CD2 4.04Å; F51-Y315 HydrophobicContact CE1-CE1 4.16Å; F51-Y315 HydrophobicContact CE1-CE2 4.4Å; F51-Y315 AromaticContact CE1-CG 3.69Å; F51-Y315 HydrophobicContact CE1-CG 3.69Å; F51-Y315 AromaticContact CZ-CD1 3.86Å; F51-Y315 HydrophobicContact CZ-CD1 3.86Å; F51-Y315 HydrophobicContact CZ-CE1 4.09Å; F51-Y315 HydrophobicContact CZ-CG 4.28Å; F51-F319 HydrophobicContact CD1-CE2 4.39Å; F51-F319 AromaticContact CD2-CE2 3.66Å; F51-F319 HydrophobicContact CD2-CE2 3.66Å; F51-F319 AromaticContact CD2-CZ 3.63Å; F51-F319 HydrophobicContact CD2-CZ 3.63Å; F51-F319 HydrophobicContact CE1-CE2 4.34Å; F51-F319 AromaticContact CE2-CE2 3.61Å; F51-F319 HydrophobicContact CE2-CE2 3.61Å; F51-F319 AromaticContact CE2-CZ 3.68Å; F51-F319 HydrophobicContact CE2-CZ 3.68Å; F51-F319 HydrophobicContact CG-CE2 4.08Å; F51-F319 HydrophobicContact CG-CZ 4.4Å; F51-F319 AromaticContact CZ-CE2 3.97Å; F51-F319 HydrophobicContact CZ-CE2 3.97Å; F51-F319 HydrophobicContact CZ-CZ 4.47Å
52	G	94.1	Very high	94.3	Very high	21 Å²	21	51.8 Å²	51.8	22%	0.216	27%	0.269	C	S	.	.			trans	-87.1	173.6	174.6	0	0	0	0	0	113.3	E54 L55	G52-E54 WeakPolarHBondContact CA-OE1 3.13Å; G52-E54 WeakPolarHBondContact CA-OE2 3.4Å; G52-E54 PolarHBondContact N-OE1 3.19Å; G52-E54 PolarHBondContact O-N 3.22Å; G52-L55 WeakPolarHBondContact O-CG 3.32Å; G52-L55 PolarHBondContact O-N 2.93Å
53	Q	95.9	Very high	94.1	Very high	81 Å²	81	52.6 Å²	52.6	38%	0.379	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-67.6	-20.3	-179.4	-57	-55.1	-48.9	0	0	112.7	L55 F56 H65 I66	Q53-L55 PolarHBondContact O-N 3.03Å; Q53-F56 PolarHBondContact O-N 3.45Å; Q53-H65 PolarHBondContact NE2-CE1 3.4Å; Q53-H65 PolarHBondContact OE1-ND1 3.44Å; Q53-I66 VanDerWaalsContact NE2-CG2 3.31Å; Q53-I66 PolarHBondContact NE2-O 2.03Å
54	E	94.2	Very high	94	Very high	109 Å²	109	52.5 Å²	52.5	51%	0.509	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-59.1	-15.3	178.8	68.4	-76.4	172.8	0	0	113.5	G52 F56 D57	G52-E54 WeakPolarHBondContact CA-OE1 3.13Å; G52-E54 WeakPolarHBondContact CA-OE2 3.4Å; G52-E54 PolarHBondContact N-OE1 3.19Å; G52-E54 PolarHBondContact O-N 3.22Å; E54-F56 PolarHBondContact O-N 3.14Å; E54-D57 WeakPolarHBondContact O-CB 3.34Å; E54-D57 PolarHBondContact O-N 3.4Å
55	L	94	Very high	94	Very high	15 Å²	15	55.7 Å²	55.7	8%	0.079	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-53.7	-37	168.6	-71.8	-178.4	0	0	0	112.4	F51 G52 Q53 I66 A316 F319	F51-L55 HydrophobicContact CB-CD1 3.56Å; F51-L55 HydrophobicContact CB-CG 4.38Å; F51-L55 HydrophobicContact CD1-CD1 4.12Å; F51-L55 HydrophobicContact CG-CD1 3.9Å; G52-L55 WeakPolarHBondContact O-CG 3.32Å; G52-L55 PolarHBondContact O-N 2.93Å; Q53-L55 PolarHBondContact O-N 3.03Å; L55-I66 HydrophobicContact CD1-CD1 4.21Å; L55-A316 HydrophobicContact CD2-CB 4.22Å; L55-A316 WeakPolarHBondContact O-CB 3.27Å; L55-F319 HydrophobicContact CD1-CB 4.09Å; L55-F319 HydrophobicContact CD1-CD1 4.48Å; L55-F319 HydrophobicContact CD1-CD2 3.4Å; L55-F319 VanDerWaalsContact CD1-CD2 3.4Å; L55-F319 HydrophobicContact CD1-CE2 3.9Å; L55-F319 HydrophobicContact CD1-CG 3.74Å
56	F	95.1	Very high	94	Very high	13 Å²	13	52.8 Å²	52.8	6%	0.057	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-87.3	-5.5	-176.3	-56.3	-63.4	0	0	0	113.6	I40 Q53 E54 F58 C59 C64 I66 F319 C323	I40-F56 HydrophobicContact CD1-CE1 4.34Å; I40-F56 HydrophobicContact CD1-CZ 4.04Å; Q53-F56 PolarHBondContact O-N 3.45Å; E54-F56 PolarHBondContact O-N 3.14Å; F56-F58 PolarHBondContact O-N 2.94Å; F56-F58 VanDerWaalsContact O-N 3.12Å; F56-C59 CarbonylContact O-C 3.44Å; F56-C59 PolarHBondContact O-N 3.4Å; F56-C64 HydrophobicContact CD1-CB 3.83Å; F56-C64 HydrophobicContact CD2-CB 4.39Å; F56-C64 HydrophobicContact CE1-CB 3.57Å; F56-C64 HydrophobicContact CE2-CB 4.16Å; F56-C64 HydrophobicContact CG-CB 4.25Å; F56-C64 HydrophobicContact CZ-CB 3.76Å; F56-I66 HydrophobicContact CE2-CB 3.85Å; F56-I66 HydrophobicContact CE2-CG2 3.96Å; F56-I66 HydrophobicContact CZ-CB 4.24Å; F56-F319 HydrophobicContact CE1-CB 4.1Å; F56-F319 HydrophobicContact CZ-CB 4.48Å; F56-C323 HydrophobicContact CE1-CB 4.13Å
57	D	93.7	Very high	94.2	Very high	116 Å²	116	52.6 Å²	52.6	62%	0.62	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-62	-20.4	171.3	-66.8	-16.6	0	0	0	111.8	E54 C59	E54-D57 WeakPolarHBondContact O-CB 3.34Å; E54-D57 PolarHBondContact O-N 3.4Å; D57-C59 VanDerWaalsContact C-N 3.33Å
58	F	89.8	Confident	94.5	Very high	69 Å²	69	50 Å²	50	30%	0.303	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-80.9	-11.6	175.7	-66.4	-91.1	0	0	0	113.8	F56 Y313 A316	F56-F58 PolarHBondContact O-N 2.94Å; F56-F58 VanDerWaalsContact O-N 3.12Å; F58-Y313 AromaticContact CD1-CD1 3.91Å; F58-Y313 HydrophobicContact CD1-CD1 3.91Å; F58-Y313 HydrophobicContact CD1-CE1 4.22Å; F58-Y313 AromaticContact CE1-CD1 3.41Å; F58-Y313 HydrophobicContact CE1-CD1 3.41Å; F58-Y313 VanDerWaalsContact CE1-CD1 3.41Å; F58-Y313 AromaticContact CE1-CE1 3.49Å; F58-Y313 HydrophobicContact CE1-CE1 3.49Å; F58-Y313 VanDerWaalsContact CE1-CE1 3.49Å; F58-Y313 HydrophobicContact CZ-CD1 4.28Å; F58-Y313 HydrophobicContact CZ-CE1 4.4Å; F58-A316 HydrophobicContact CB-CB 4Å; F58-A316 HydrophobicContact CD1-CB 4.36Å; F58-A316 HydrophobicContact CD2-CB 3.25Å; F58-A316 HydrophobicContact CE2-CB 3.72Å; F58-A316 HydrophobicContact CG-CB 3.6Å; F58-A316 HydrophobicContact CZ-CB 4.44Å
59	C	94.2	Very high	94.8	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.027	26%	0.259	C	S	.	.			trans	-144.1	60.4	177.4	52.7	0	0	0	0	111.3	F56 D57 Q61 L62 C320	F56-C59 CarbonylContact O-C 3.44Å; F56-C59 PolarHBondContact O-N 3.4Å; D57-C59 VanDerWaalsContact C-N 3.33Å; C59-Q61 PolarHBondContact O-N 3.26Å; C59-Q61 PolarHBondContact O-OE1 3.45Å; C59-L62 HydrophobicContact CB-CD1 3.93Å; C59-L62 HydrophobicContact CB-CG 4.19Å; C59-L62 PolarHBondContact O-N 3.18Å; C59-C320 HydrophobicContact CB-CB 3.68Å; C59-C320 WeakPolarHBondContact CB-SG 3.49Å; C59-C320 VanDerWaalsContact SG-CA 3.51Å; C59-C320 WeakPolarHBondContact SG-CB 3.31Å; C59-C320 CovalentContact SG-SG 2.03Å; C59-C320 PolarHBondContact SG-SG 3.43Å
60	P	93	Very high	95	Very high	49 Å²	49	49.2 Å²	49.2	32%	0.318	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.5	-171.5	28.9	-37.3	0	0	0	114.2	K33 L62	K33-P60 WeakPolarHBondContact CE-O 3.4Å; P60-L62 VanDerWaalsContact C-N 3.29Å
61	Q	92.9	Very high	95.1	Very high	57 Å²	57	48 Å²	48	27%	0.266	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.4	173	77	-77	2.6	0	0	113.1	V31 F34 C59	V31-Q61 HydrophobicContact CB-CB 4.23Å; V31-Q61 HydrophobicContact CG1-CB 3.27Å; V31-Q61 HydrophobicContact CG1-CG 4.46Å; F34-Q61 PolarHBondContact N-O 2.96Å; C59-Q61 PolarHBondContact O-N 3.26Å; C59-Q61 PolarHBondContact O-OE1 3.45Å
62	L	93.9	Very high	95.2	Very high	8 Å²	8	47 Å²	47	4%	0.042	25%	0.25	C	C	.	.	S	Bend	trans	-92.9	122.3	-178.9	-52.7	178.3	0	0	0	109.4	F34 C59 P60 C64 C320 C323 Q324	F34-L62 HydrophobicContact CD2-CD2 3.76Å; F34-L62 HydrophobicContact CE2-CD2 3.53Å; F34-L62 HydrophobicContact CZ-CD2 4.47Å; C59-L62 HydrophobicContact CB-CD1 3.93Å; C59-L62 HydrophobicContact CB-CG 4.19Å; C59-L62 PolarHBondContact O-N 3.18Å; P60-L62 VanDerWaalsContact C-N 3.29Å; L62-C64 PolarHBondContact O-N 2.89Å; L62-C64 VanDerWaalsContact O-N 3.17Å; L62-C320 WeakPolarHBondContact CD1-O 3.13Å; L62-C323 WeakPolarHBondContact CB-SG 3Å; L62-C323 HydrophobicContact CD1-CB 4.15Å; L62-Q324 HydrophobicContact CD1-CB 3.93Å; L62-Q324 VanDerWaalsContact CD2-OE1 3.29Å
63	S	93.8	Very high	95.3	Very high	17 Å²	17	47.4 Å²	47.4	12%	0.119	25%	0.246	C	C	.	.			trans	-86.5	88.8	178.7	-52.5	0	0	0	0	109.3	F34 R36 N37 E38 H327	F34-S63 PolarHBondContact O-OG 3.44Å; R36-S63 WeakPolarHBondContact O-CB 3.04Å; N37-S63 WeakPolarHBondContact OD1-CB 3.46Å; E38-S63 PolarHBondContact N-O 3.15Å; S63-H327 PolarHBondContact N-NE2 3.44Å; S63-H327 PolarHBondContact O-CE1 3.06Å; S63-H327 PolarHBondContact O-NE2 2.65Å; S63-H327 VanDerWaalsContact O-NE2 3.08Å
64	C	96.1	Very high	95.2	Very high	19 Å²	19	48.8 Å²	48.8	13%	0.128	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	152.5	175.3	-76.9	0	0	0	0	112.2	E38 F56 L62 C323	E38-C64 CarbonylContact O-C 3.58Å; E38-C64 WeakPolarHBondContact O-CA 3.35Å; F56-C64 HydrophobicContact CD1-CB 3.83Å; F56-C64 HydrophobicContact CD2-CB 4.39Å; F56-C64 HydrophobicContact CE1-CB 3.57Å; F56-C64 HydrophobicContact CE2-CB 4.16Å; F56-C64 HydrophobicContact CG-CB 4.25Å; F56-C64 HydrophobicContact CZ-CB 3.76Å; L62-C64 PolarHBondContact O-N 2.89Å; L62-C64 VanDerWaalsContact O-N 3.17Å; C64-C323 HydrophobicContact CB-CB 3.87Å; C64-C323 WeakPolarHBondContact CB-SG 3.36Å; C64-C323 WeakPolarHBondContact SG-CA 3.13Å; C64-C323 WeakPolarHBondContact SG-CB 2.96Å; C64-C323 CovalentContact SG-SG 1.99Å; C64-C323 PolarHBondContact SG-SG 3.12Å
65	H	96.8	Very high	95.2	Very high	84 Å²	84	49.9 Å²	49.9	39%	0.389	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.3	176.9	177.1	58.2	0	0	0	109.4	E38 T39 I40 Q53	E38-H65 PolarHBondContact O-N 3.44Å; T39-H65 CarbonylContact C-O 3.59Å; T39-H65 WeakPolarHBondContact CA-O 3.43Å; I40-H65 PolarHBondContact N-O 2.66Å; Q53-H65 PolarHBondContact NE2-CE1 3.4Å; Q53-H65 PolarHBondContact OE1-ND1 3.44Å
66	I	97.8	Very high	95.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138.5	174.6	-170.5	160.4	0	0	0	109.8	I40 M42 F51 Q53 L55 F56 F319	I40-I66 CarbonylContact O-C 3.58Å; I40-I66 WeakPolarHBondContact O-CA 3.31Å; M42-I66 HydrophobicContact CG-CD1 3.68Å; M42-I66 HydrophobicContact CG-CG1 3.82Å; M42-I66 HydrophobicContact SD-CD1 4.13Å; F51-I66 HydrophobicContact CB-CD1 3.79Å; F51-I66 HydrophobicContact CD2-CD1 4.27Å; F51-I66 HydrophobicContact CG-CD1 4.45Å; Q53-I66 VanDerWaalsContact NE2-CG2 3.31Å; Q53-I66 PolarHBondContact NE2-O 2.03Å; L55-I66 HydrophobicContact CD1-CD1 4.21Å; F56-I66 HydrophobicContact CE2-CB 3.85Å; F56-I66 HydrophobicContact CE2-CG2 3.96Å; F56-I66 HydrophobicContact CZ-CB 4.24Å; I66-F319 HydrophobicContact CD1-CD1 4.14Å; I66-F319 HydrophobicContact CD1-CE1 3.73Å; I66-F319 HydrophobicContact CD1-CZ 4.05Å
67	T	97.9	Very high	95.3	Very high	19 Å²	19	49.2 Å²	49.2	12%	0.117	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.3	178.8	-175.7	0	0	0	0	111.1	T39 I40 L41 M42 D69	T39-T67 HydrophobicContact CG2-CG2 3.65Å; I40-T67 PolarHBondContact O-N 2.04Å; L41-T67 CarbonylContact C-O 3.43Å; L41-T67 WeakPolarHBondContact CA-O 3.33Å; L41-T67 HydrophobicContact CB-CG2 4.35Å; L41-T67 HydrophobicContact CD1-CG2 4.08Å; M42-T67 PolarHBondContact N-O 3.27Å; T67-D69 PolarHBondContact OG1-N 3.13Å; T67-D69 VanDerWaalsContact OG1-N 3.13Å
68	Y	97.7	Very high	95.5	Very high	44 Å²	44	43.7 Å²	43.7	17%	0.173	23%	0.228	C	C	.	.			trans	-115.4	1.2	172.8	-68.7	-95	0	0	0	111.5	M42 H50 F51 R70	M42-Y68 HydrophobicContact CB-CD1 3.54Å; M42-Y68 HydrophobicContact CB-CD2 4.5Å; M42-Y68 HydrophobicContact CB-CE1 3.21Å; M42-Y68 HydrophobicContact CB-CE2 4.23Å; M42-Y68 HydrophobicContact CB-CG 4.17Å; M42-Y68 HydrophobicContact CG-CD1 4.47Å; M42-Y68 HydrophobicContact CG-CE1 3.81Å; M42-Y68 HydrophobicContact CG-CE2 4.18Å; H50-Y68 WeakPolarHBondContact CA-OH 3.42Å; H50-Y68 HydrophobicContact CB-CD2 4.28Å; H50-Y68 HydrophobicContact CB-CE2 3.72Å; H50-Y68 AromaticContact CD2-CD1 3.7Å; H50-Y68 AromaticContact CD2-CE1 3.58Å; H50-Y68 AromaticContact CD2-CE2 3.99Å; H50-Y68 AromaticContact CD2-CG 3.96Å; H50-Y68 AromaticContact CD2-CZ 3.74Å; H50-Y68 AromaticContact CE1-CG 4Å; H50-Y68 AromaticContact CG-CD2 3.92Å; H50-Y68 AromaticContact CG-CE2 3.79Å; H50-Y68 AromaticContact CG-CZ 3.95Å; H50-Y68 AromaticContact NE2-CD1 3.68Å; H50-Y68 AromaticContact NE2-CG 3.81Å; F51-Y68 WeakPolarHBondContact CD2-OH 3.34Å; F51-Y68 PolarHBondContact N-OH 3.36Å; Y68-R70 PolarHBondContact O-N 3.06Å
69	D	97.6	Very high	95.9	Very high	81 Å²	81	40.4 Å²	40.4	43%	0.433	21%	0.214	S	C	.	.			trans	-75.2	109.6	177.1	167.4	32	0	0	0	110.4	L41 T67 A71 S72	L41-D69 WeakPolarHBondContact CD1-O 3.48Å; T67-D69 PolarHBondContact OG1-N 3.13Å; T67-D69 VanDerWaalsContact OG1-N 3.13Å; D69-A71 PolarHBondContact O-N 3.45Å; D69-A71 VanDerWaalsContact OD1-CB 3.31Å; D69-A71 WeakPolarHBondContact OD1-CB 3.08Å; D69-A71 PolarHBondContact OD1-N 2.99Å; D69-S72 WeakPolarHBondContact O-CB 3.33Å; D69-S72 PolarHBondContact O-N 3.21Å; D69-S72 PolarHBondContact OD2-OG 2.85Å
70	R	96.9	Very high	96.2	Very high	94 Å²	94	40.2 Å²	40.2	36%	0.355	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-64.1	-23.6	-179.5	-67.4	-173.6	173.8	-172.9	-5	113.8	W43 Y68 S72 I73 D90	W43-R70 HydrophobicContact CE3-CG 4.36Å; W43-R70 HydrophobicContact CH2-CG 4.37Å; W43-R70 HydrophobicContact CZ3-CB 4.32Å; W43-R70 HydrophobicContact CZ3-CG 4.03Å; W43-R70 PolarHBondContact O-NH2 3.41Å; Y68-R70 PolarHBondContact O-N 3.06Å; R70-S72 PolarHBondContact O-N 2.95Å; R70-I73 WeakPolarHBondContact O-CB 3.29Å; R70-I73 WeakPolarHBondContact O-CG2 3.46Å; R70-I73 PolarHBondContact O-N 3.44Å; R70-I73 VanDerWaalsContact O-N 3.12Å; R70-D90 IonicContact CZ-OD1 3.55Å; R70-D90 IonicContact CZ-OD2 3.65Å; R70-D90 VanDerWaalsContact CZ-OD2 3.26Å; R70-D90 IonicContact NH1-OD1 2.67Å; R70-D90 PolarHBondContact NH1-OD1 3.17Å; R70-D90 IonicContact NH1-OD2 3.51Å; R70-D90 PolarHBondContact NH1-OD2 3.3Å; R70-D90 IonicContact NH2-OD1 3.69Å; R70-D90 IonicContact NH2-OD2 2.77Å; R70-D90 PolarHBondContact NH2-OD2 3.15Å
71	A	96.7	Very high	96.4	Very high	82 Å²	82	37.9 Å²	37.9	68%	0.678	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-66.2	-14.7	173.1	0	0	0	0	0	112.2	D69 I73	D69-A71 PolarHBondContact O-N 3.45Å; D69-A71 VanDerWaalsContact OD1-CB 3.31Å; D69-A71 WeakPolarHBondContact OD1-CB 3.08Å; D69-A71 PolarHBondContact OD1-N 2.99Å; A71-I73 PolarHBondContact O-N 2.92Å
72	S	96.3	Very high	96.7	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.028	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-80.7	2.4	174.8	-64.5	0	0	0	0	113.8	D69 R70 D74 K75 S76	D69-S72 WeakPolarHBondContact O-CB 3.33Å; D69-S72 PolarHBondContact O-N 3.21Å; D69-S72 PolarHBondContact OD2-OG 2.85Å; R70-S72 PolarHBondContact O-N 2.95Å; S72-D74 PolarHBondContact O-N 2.96Å; S72-K75 VanDerWaalsContact O-CG 3.22Å; S72-K75 WeakPolarHBondContact O-CG 3.13Å; S72-K75 PolarHBondContact O-N 3.41Å; S72-K75 WeakPolarHBondContact OG-CE 3.33Å; S72-K75 PolarHBondContact OG-NZ 2.9Å; S72-S76 WeakPolarHBondContact O-CB 3.21Å; S72-S76 PolarHBondContact O-N 3.16Å; S72-S76 VanDerWaalsContact O-N 3.16Å; S72-S76 PolarHBondContact O-OG 3.21Å
73	I	96.7	Very high	96.9	Very high	29 Å²	29	34.8 Å²	34.8	15%	0.149	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-55.2	-50.1	-177	-170.9	168.6	0	0	0	112.1	L41 W43 R70 A71 K75 S76 V79 P92 Q99	L41-I73 HydrophobicContact CD2-CB 3.94Å; L41-I73 HydrophobicContact CD2-CG1 4.32Å; W43-I73 HydrophobicContact CZ3-CD1 3.97Å; R70-I73 WeakPolarHBondContact O-CB 3.29Å; R70-I73 WeakPolarHBondContact O-CG2 3.46Å; R70-I73 PolarHBondContact O-N 3.44Å; R70-I73 VanDerWaalsContact O-N 3.12Å; A71-I73 PolarHBondContact O-N 2.92Å; I73-K75 PolarHBondContact O-N 3.41Å; I73-K75 VanDerWaalsContact O-N 3.1Å; I73-S76 WeakPolarHBondContact O-CB 3.09Å; I73-S76 PolarHBondContact O-N 2.94Å; I73-V79 HydrophobicContact CG1-CG2 4.32Å; I73-P92 HydrophobicContact CD1-CB 3.47Å; I73-P92 VanDerWaalsContact CD1-CB 3.47Å; I73-P92 HydrophobicContact CD1-CG 3.67Å; I73-Q99 PolarHBondContact O-NE2 3.44Å
74	D	94.6	Very high	97	Very high	111 Å²	111	38.9 Å²	38.9	59%	0.594	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-65.4	-22.6	-173.3	-64.6	-26.7	0	0	0	114.5	S72 L96	S72-D74 PolarHBondContact O-N 2.96Å; D74-L96 HydrophobicContact CB-CD1 4.15Å
75	K	93.5	Very high	97.1	Very high	131 Å²	131	40.9 Å²	40.9	57%	0.57	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-98.3	-3.5	176.8	67.7	179.1	-174.9	-157.5	0	113.6	S72 I73	S72-K75 VanDerWaalsContact O-CG 3.22Å; S72-K75 WeakPolarHBondContact O-CG 3.13Å; S72-K75 PolarHBondContact O-N 3.41Å; S72-K75 WeakPolarHBondContact OG-CE 3.33Å; S72-K75 PolarHBondContact OG-NZ 2.9Å; I73-K75 PolarHBondContact O-N 3.41Å; I73-K75 VanDerWaalsContact O-N 3.1Å
76	S	96.1	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.			trans	-81.6	131.6	-175.8	-66.1	0	0	0	0	111.1	T39 L41 S72 I73 Q99	T39-S76 CarbonylContact O-C 3.53Å; T39-S76 WeakPolarHBondContact O-CA 3.37Å; L41-S76 WeakPolarHBondContact CB-OG 3.41Å; S72-S76 WeakPolarHBondContact O-CB 3.21Å; S72-S76 PolarHBondContact O-N 3.16Å; S72-S76 VanDerWaalsContact O-N 3.16Å; S72-S76 PolarHBondContact O-OG 3.21Å; I73-S76 WeakPolarHBondContact O-CB 3.09Å; I73-S76 PolarHBondContact O-N 2.94Å; S76-Q99 VanDerWaalsContact O-CG 3.22Å; S76-Q99 WeakPolarHBondContact O-CG 3.33Å; S76-Q99 PolarHBondContact O-NE2 3.41Å
77	S	95.8	Very high	97	Very high	14 Å²	14	41.6 Å²	41.6	10%	0.098	21%	0.212	C	C	.	.	S	Bend	trans	-80.8	-25	174.5	-86.7	0	0	0	0	113.3	E38 T39 Q99 H100 K329	E38-S77 WeakPolarHBondContact OE2-CB 3.08Å; E38-S77 PolarHBondContact OE2-OG 3.15Å; T39-S77 PolarHBondContact O-N 2.98Å; S77-Q99 WeakPolarHBondContact O-CA 3.28Å; S77-H100 PolarHBondContact O-N 3.19Å; S77-K329 VanDerWaalsContact CB-NZ 3.27Å; S77-K329 PolarHBondContact OG-NZ 3.41Å
78	A	97.9	Very high	97	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	143	171.4	0	0	0	0	0	110.3	T39 I40 L41 H100 V102 L326	T39-A78 PolarHBondContact O-N 3.24Å; I40-A78 HydrophobicContact CG1-CB 4.48Å; L41-A78 PolarHBondContact N-O 3.42Å; A78-H100 CarbonylContact C-O 3.59Å; A78-H100 VanDerWaalsContact CA-O 3.24Å; A78-H100 WeakPolarHBondContact CA-O 3.44Å; A78-H100 HydrophobicContact CB-CB 4.4Å; A78-V102 HydrophobicContact CB-CG2 4.09Å; A78-L326 HydrophobicContact CB-CD1 3.75Å; A78-L326 HydrophobicContact CB-CD2 4.07Å; A78-L326 HydrophobicContact CB-CG 4.5Å
79	V	98.6	Very high	96.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.9	167.8	-171.7	0	0	0	0	107.3	L41 W43 I73 F81 H100 F101 V102	L41-V79 HydrophobicContact CB-CG2 4.41Å; L41-V79 HydrophobicContact CD2-CG1 4.25Å; L41-V79 HydrophobicContact CD2-CG2 4.31Å; L41-V79 HydrophobicContact CG-CG1 4.29Å; L41-V79 CarbonylContact O-C 3.53Å; L41-V79 VanDerWaalsContact O-CA 3.27Å; L41-V79 WeakPolarHBondContact O-CA 3.3Å; W43-V79 HydrophobicContact CB-CG1 3.87Å; W43-V79 HydrophobicContact CD2-CG1 4.43Å; W43-V79 HydrophobicContact CE3-CG1 4Å; W43-V79 HydrophobicContact CG-CG1 4.42Å; I73-V79 HydrophobicContact CG1-CG2 4.32Å; V79-F81 HydrophobicContact CB-CE2 3.83Å; V79-F81 HydrophobicContact CB-CZ 4.12Å; V79-F81 HydrophobicContact CG1-CD2 4.41Å; V79-F81 HydrophobicContact CG1-CE1 4.21Å; V79-F81 HydrophobicContact CG1-CE2 3.57Å; V79-F81 HydrophobicContact CG1-CZ 3.46Å; V79-F81 VanDerWaalsContact CG1-CZ 3.46Å; V79-F81 WeakPolarHBondContact O-CD2 3.31Å; V79-F81 WeakPolarHBondContact O-CE2 2.77Å; V79-H100 PolarHBondContact N-O 2.99Å; V79-F101 HydrophobicContact CB-CD1 3.72Å; V79-F101 HydrophobicContact CB-CE1 3.78Å; V79-F101 HydrophobicContact CG1-CE1 4.47Å; V79-F101 HydrophobicContact CG2-CD1 4.01Å; V79-F101 HydrophobicContact CG2-CE1 3.68Å; V79-F101 CarbonylContact O-C 3.48Å; V79-F101 WeakPolarHBondContact O-CA 3.33Å; V79-V102 PolarHBondContact O-N 3.39Å
80	V	98.7	Very high	96.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.3	-174.4	-177.6	0	0	0	0	109.4	I40 L41 M42 W43 V102 F104 L322	I40-V80 HydrophobicContact CG2-CG2 3.66Å; L41-V80 PolarHBondContact O-N 2.81Å; M42-V80 HydrophobicContact CE-CB 4.39Å; M42-V80 HydrophobicContact CE-CG1 4.09Å; M42-V80 HydrophobicContact SD-CB 3.62Å; M42-V80 HydrophobicContact SD-CG1 3.79Å; M42-V80 HydrophobicContact SD-CG2 4.19Å; W43-V80 PolarHBondContact N-O 2.82Å; V80-V102 HydrophobicContact CB-CB 4.46Å; V80-V102 HydrophobicContact CG1-CB 4.47Å; V80-V102 HydrophobicContact CG2-CB 4.09Å; V80-V102 HydrophobicContact CG2-CG2 4.19Å; V80-F104 HydrophobicContact CG1-CB 3.54Å; V80-F104 HydrophobicContact CG1-CD1 4.04Å; V80-F104 HydrophobicContact CG1-CG 4.03Å; V80-L322 HydrophobicContact CG2-CD2 3.87Å
81	F	98.6	Very high	96.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	110.2	-179.4	-58.8	-95.1	0	0	0	108.9	W43 V79 D83 V86 L91 P92 F101 V102 F104 F124 Y125	W43-F81 HydrophobicContact CB-CD1 3.66Å; W43-F81 HydrophobicContact CB-CE1 3.62Å; W43-F81 HydrophobicContact CB-CG 4.36Å; W43-F81 HydrophobicContact CB-CZ 4.26Å; W43-F81 AromaticContact CD1-CD1 3.65Å; W43-F81 AromaticContact CD1-CE1 3.44Å; W43-F81 VanDerWaalsContact CD1-CE1 3.44Å; W43-F81 HydrophobicContact CD2-CE1 4.02Å; W43-F81 AromaticContact CG-CD1 3.76Å; W43-F81 HydrophobicContact CG-CD1 3.76Å; W43-F81 AromaticContact CG-CE1 3.38Å; W43-F81 HydrophobicContact CG-CE1 3.38Å; W43-F81 HydrophobicContact CG-CZ 4.21Å; V79-F81 HydrophobicContact CB-CE2 3.83Å; V79-F81 HydrophobicContact CB-CZ 4.12Å; V79-F81 HydrophobicContact CG1-CD2 4.41Å; V79-F81 HydrophobicContact CG1-CE1 4.21Å; V79-F81 HydrophobicContact CG1-CE2 3.57Å; V79-F81 HydrophobicContact CG1-CZ 3.46Å; V79-F81 VanDerWaalsContact CG1-CZ 3.46Å; V79-F81 WeakPolarHBondContact O-CD2 3.31Å; V79-F81 WeakPolarHBondContact O-CE2 2.77Å; F81-D83 PolarHBondContact O-N 2.86Å; F81-V86 HydrophobicContact CB-CB 4.49Å; F81-V86 HydrophobicContact CB-CG2 4.4Å; F81-V86 HydrophobicContact CD1-CG2 3.76Å; F81-L91 HydrophobicContact CE1-CD2 4.27Å; F81-P92 HydrophobicContact CE1-CG 4.34Å; F81-P92 HydrophobicContact CZ-CG 4.01Å; F81-F101 HydrophobicContact CD2-CB 4.39Å; F81-F101 HydrophobicContact CE2-CB 3.8Å; F81-F101 AromaticContact CE2-CD1 3.88Å; F81-F101 HydrophobicContact CE2-CD1 3.88Å; F81-F101 AromaticContact CE2-CD2 3.69Å; F81-F101 HydrophobicContact CE2-CD2 3.69Å; F81-F101 HydrophobicContact CE2-CE1 4.37Å; F81-F101 HydrophobicContact CE2-CE2 4.21Å; F81-F101 AromaticContact CE2-CG 3.51Å; F81-F101 HydrophobicContact CE2-CG 3.51Å; F81-F101 HydrophobicContact CZ-CD1 4.31Å; F81-F101 AromaticContact CZ-CD2 3.86Å; F81-F101 HydrophobicContact CZ-CD2 3.86Å; F81-F101 HydrophobicContact CZ-CE1 4.36Å; F81-F101 AromaticContact CZ-CE2 3.92Å; F81-F101 HydrophobicContact CZ-CE2 3.92Å; F81-F101 HydrophobicContact CZ-CG 4.07Å; F81-F101 HydrophobicContact CZ-CZ 4.18Å; F81-V102 PolarHBondContact N-O 2.91Å; F81-F104 PolarHBondContact O-N 3.26Å; F81-F124 HydrophobicContact CD1-CE1 4.19Å; F81-F124 HydrophobicContact CD1-CZ 4.34Å; F81-F124 HydrophobicContact CD2-CE1 4.02Å; F81-F124 HydrophobicContact CE1-CE1 4.05Å; F81-F124 AromaticContact CE1-CZ 3.8Å; F81-F124 HydrophobicContact CE1-CZ 3.8Å; F81-F124 AromaticContact CE2-CE1 3.9Å; F81-F124 HydrophobicContact CE2-CE1 3.9Å; F81-F124 HydrophobicContact CE2-CZ 4.09Å; F81-F124 HydrophobicContact CG-CE1 4.16Å; F81-F124 AromaticContact CZ-CE1 3.91Å; F81-F124 HydrophobicContact CZ-CE1 3.91Å; F81-F124 AromaticContact CZ-CZ 3.66Å; F81-F124 HydrophobicContact CZ-CZ 3.66Å; F81-Y125 HydrophobicContact CB-CE1 3.91Å; F81-Y125 HydrophobicContact CD2-CD1 4.45Å; F81-Y125 AromaticContact CD2-CE1 3.99Å; F81-Y125 HydrophobicContact CD2-CE1 3.99Å; F81-Y125 HydrophobicContact CG-CE1 4.13Å
82	H	98.1	Very high	96.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	111.5	170.3	-179	-131.5	0	0	0	109.4	V44 F46 F47 R84 N85 V86 F104	V44-H82 HydrophobicContact CG2-CB 4.08Å; F46-H82 HydrophobicContact CD2-CB 4.48Å; F46-H82 AromaticContact CD2-CD2 3.63Å; F46-H82 AromaticContact CD2-CE1 3.6Å; F46-H82 AromaticContact CD2-CG 3.71Å; F46-H82 AromaticContact CD2-ND1 3.7Å; F46-H82 AromaticContact CD2-NE2 3.59Å; F46-H82 AromaticContact CE2-CD2 3.74Å; F46-H82 AromaticContact CE2-CE1 3.71Å; F46-H82 AromaticContact CE2-NE2 3.38Å; F46-H82 WeakPolarHBondContact CE2-NE2 3.43Å; F47-H82 AromaticContact CD2-CE1 3.61Å; F47-H82 AromaticContact CE2-CE1 3.34Å; F47-H82 WeakPolarHBondContact CE2-CE1 3.47Å; F47-H82 AromaticContact CE2-NE2 3.66Å; F47-H82 AromaticContact CZ-CE1 3.61Å; F47-H82 AromaticContact CZ-NE2 4Å; H82-R84 PolarHBondContact O-N 2.99Å; H82-R84 VanDerWaalsContact O-N 3.14Å; H82-N85 PolarHBondContact CE1-OD1 2.86Å; H82-N85 VanDerWaalsContact CE1-OD1 3.28Å; H82-N85 PolarHBondContact ND1-OD1 3.31Å; H82-N85 PolarHBondContact O-N 3.01Å; H82-V86 PolarHBondContact O-N 2.99Å; H82-F104 WeakPolarHBondContact CA-O 3.38Å; H82-F104 HydrophobicContact CB-CD1 4.12Å; H82-F104 PolarHBondContact CD2-O 3.17Å
83	D	98.2	Very high	96.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-37.5	-169.9	169.7	69.4	0	0	0	113.1	F81 N85 F103 F104 L105 V112 S113	F81-D83 PolarHBondContact O-N 2.86Å; D83-N85 PolarHBondContact O-N 3.39Å; D83-F103 HydrophobicContact CB-CD2 4.2Å; D83-F103 HydrophobicContact CB-CE2 3.54Å; D83-F103 HydrophobicContact CB-CZ 4.23Å; D83-F104 PolarHBondContact N-O 3.36Å; D83-L105 HydrophobicContact CB-CB 4.21Å; D83-L105 HydrophobicContact CB-CD1 4.2Å; D83-L105 HydrophobicContact CB-CD2 4.32Å; D83-L105 HydrophobicContact CB-CG 4.48Å; D83-V112 WeakPolarHBondContact OD2-CA 3.38Å; D83-S113 WeakPolarHBondContact O-CB 3.37Å; D83-S113 PolarHBondContact O-OG 3.32Å; D83-S113 PolarHBondContact OD1-OG 3.27Å; D83-S113 PolarHBondContact OD2-N 2.79Å
84	R	96.7	Very high	96.4	Very high	102 Å²	102	51.9 Å²	51.9	39%	0.385	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.5	178.9	-61	-65.2	-57.5	-119.1	-9.6	114.8	F47 H82 L105 H111	F47-R84 HydrophobicContact CE1-CB 4.14Å; F47-R84 HydrophobicContact CE1-CG 4.27Å; F47-R84 HydrophobicContact CZ-CB 4.25Å; F47-R84 HydrophobicContact CZ-CG 4Å; H82-R84 PolarHBondContact O-N 2.99Å; H82-R84 VanDerWaalsContact O-N 3.14Å; R84-L105 HydrophobicContact CG-CD1 3.71Å; R84-H111 WeakPolarHBondContact CD-O 3.32Å; R84-H111 PolarHBondContact NH1-O 3.02Å
85	N	97.4	Very high	96.4	Very high	62 Å²	62	50.2 Å²	50.2	33%	0.332	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-13.8	-173.5	-67	121.9	0	0	0	113.7	V44 N45 F47 H82 D83	V44-N85 HydrophobicContact CB-CB 4.22Å; V44-N85 HydrophobicContact CG2-CB 3.93Å; N45-N85 PolarHBondContact O-OD1 3.46Å; F47-N85 PolarHBondContact N-OD1 2.93Å; H82-N85 PolarHBondContact CE1-OD1 2.86Å; H82-N85 VanDerWaalsContact CE1-OD1 3.28Å; H82-N85 PolarHBondContact ND1-OD1 3.31Å; H82-N85 PolarHBondContact O-N 3.01Å; D83-N85 PolarHBondContact O-N 3.39Å
86	V	97.1	Very high	96.5	Very high	14 Å²	14	46.7 Å²	46.7	9%	0.085	25%	0.246	C	C	.	.			trans	-66.9	138.2	177.9	71	0	0	0	0	110.6	F81 H82 L91 A116 L120	F81-V86 HydrophobicContact CB-CB 4.49Å; F81-V86 HydrophobicContact CB-CG2 4.4Å; F81-V86 HydrophobicContact CD1-CG2 3.76Å; H82-V86 PolarHBondContact O-N 2.99Å; V86-L91 HydrophobicContact CG2-CD2 3.61Å; V86-A116 HydrophobicContact CG1-CB 3.43Å; V86-A116 VanDerWaalsContact CG1-CB 3.43Å; V86-L120 HydrophobicContact CG1-CD1 4.34Å; V86-L120 HydrophobicContact CG2-CD1 4.32Å
87	N	96.9	Very high	96.4	Very high	85 Å²	85	49.7 Å²	49.7	46%	0.455	27%	0.267	S	S	.	.			trans	-112.9	126.9	175.5	-179.1	-3.1	0	0	0	109	S89 D90	N87-S89 PolarHBondContact O-N 3.31Å; N87-S89 PolarHBondContact OD1-N 2.91Å; N87-D90 HydrophobicContact CB-CB 4.19Å; N87-D90 CarbonylContact O-C 3.59Å; N87-D90 PolarHBondContact O-N 2.89Å
88	V	96.8	Very high	96.2	Very high	45 Å²	45	51.7 Å²	51.7	27%	0.273	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-22.1	-179	-62.9	0	0	0	0	113.7	D90 I115 A116 N119 L120	V88-D90 VanDerWaalsContact C-N 3.27Å; V88-I115 HydrophobicContact CG1-CG2 4.1Å; V88-I115 HydrophobicContact CG2-CG2 3.85Å; V88-A116 HydrophobicContact CG1-CB 3.81Å; V88-N119 HydrophobicContact CG1-CB 4.02Å; V88-L120 HydrophobicContact CG1-CD1 4.42Å; V88-L120 HydrophobicContact CG1-CG 4.31Å
89	S	96.7	Very high	96.1	Very high	112 Å²	112	51.7 Å²	51.7	78%	0.783	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.2	174.2	-56.3	0	0	0	0	113.2	N87	N87-S89 PolarHBondContact O-N 3.31Å; N87-S89 PolarHBondContact OD1-N 2.91Å
90	D	97	Very high	96	Very high	57 Å²	57	52.7 Å²	52.7	31%	0.305	28%	0.279	S	S	.	.	S	Bend	trans	-134.9	71.4	-176.1	179.6	29.7	0	0	0	109.4	W43 R70 N87 V88	W43-D90 PolarHBondContact NE1-O 2.7Å; R70-D90 IonicContact CZ-OD1 3.55Å; R70-D90 IonicContact CZ-OD2 3.65Å; R70-D90 VanDerWaalsContact CZ-OD2 3.26Å; R70-D90 IonicContact NH1-OD1 2.67Å; R70-D90 PolarHBondContact NH1-OD1 3.17Å; R70-D90 IonicContact NH1-OD2 3.51Å; R70-D90 PolarHBondContact NH1-OD2 3.3Å; R70-D90 IonicContact NH2-OD1 3.69Å; R70-D90 IonicContact NH2-OD2 2.77Å; R70-D90 PolarHBondContact NH2-OD2 3.15Å; N87-D90 HydrophobicContact CB-CB 4.19Å; N87-D90 CarbonylContact O-C 3.59Å; N87-D90 PolarHBondContact O-N 2.89Å; V88-D90 VanDerWaalsContact C-N 3.27Å
91	L	97.6	Very high	96	Very high	43 Å²	43	52.9 Å²	52.9	23%	0.225	28%	0.28	C	S	.	.			trans	-122.1	156.5	179.4	-61.5	176	0	0	0	109.7	F81 V86 E93 L120 F124	F81-L91 HydrophobicContact CE1-CD2 4.27Å; V86-L91 HydrophobicContact CG2-CD2 3.61Å; L91-E93 PolarHBondContact O-N 2.9Å; L91-L120 HydrophobicContact CD1-CD1 4.15Å; L91-L120 HydrophobicContact CD1-CD2 3.54Å; L91-L120 HydrophobicContact CD1-CG 4.48Å; L91-L120 HydrophobicContact CD2-CD1 4.06Å; L91-F124 HydrophobicContact CD1-CE2 4.1Å; L91-F124 HydrophobicContact CD1-CZ 4.34Å; L91-F124 HydrophobicContact CD2-CE2 4.45Å; L91-F124 HydrophobicContact CD2-CZ 3.91Å
92	P	95.9	Very high	96	Very high	16 Å²	16	52.9 Å²	52.9	10%	0.104	28%	0.28	C	S	.	.			trans	-56.2	140.1	167.1	-22.9	34.3	0	0	0	111.3	W43 I73 F81 T94 F101	W43-P92 HydrophobicContact CD2-CG 4.03Å; W43-P92 HydrophobicContact CE3-CG 3.87Å; W43-P92 HydrophobicContact CH2-CB 4.25Å; W43-P92 HydrophobicContact CH2-CG 3.65Å; W43-P92 HydrophobicContact CZ2-CG 3.8Å; W43-P92 HydrophobicContact CZ3-CG 3.7Å; I73-P92 HydrophobicContact CD1-CB 3.47Å; I73-P92 VanDerWaalsContact CD1-CB 3.47Å; I73-P92 HydrophobicContact CD1-CG 3.67Å; F81-P92 HydrophobicContact CE1-CG 4.34Å; F81-P92 HydrophobicContact CZ-CG 4.01Å; P92-T94 VanDerWaalsContact C-N 3.31Å; P92-T94 PolarHBondContact O-N 2.98Å; P92-F101 HydrophobicContact CB-CE2 4.38Å; P92-F101 HydrophobicContact CB-CZ 3.85Å; P92-F101 HydrophobicContact CG-CE2 4.16Å; P92-F101 HydrophobicContact CG-CZ 3.71Å
93	E	91	Very high	96	Very high	197 Å²	197	52.9 Å²	52.9	92%	0.921	28%	0.28	S	S	*	.	S	Bend	trans	-62.8	-39.8	176.9	-64.4	-176.5	175.3	0	0	111.9	L91	L91-E93 PolarHBondContact O-N 2.9Å
94	T	92.1	Very high	96	Very high	99 Å²	99	52.9 Å²	52.9	61%	0.607	28%	0.28	S	S	*	.			trans	-140.9	155.3	179.1	64.9	0	0	0	0	111.3	P92	P92-T94 VanDerWaalsContact C-N 3.31Å; P92-T94 PolarHBondContact O-N 2.98Å
95	R	94.8	Very high	96.1	Very high	77 Å²	77	48 Å²	48	29%	0.291	26%	0.262	S	S	.	.			trans	-104.8	123.4	168.9	-178.3	177.4	66.7	72.9	3.5	108.4	Q99 F101 T126	R95-Q99 WeakPolarHBondContact CD-O 3.43Å; R95-Q99 HydrophobicContact CG-CB 4.14Å; R95-Q99 PolarHBondContact NH1-O 2.79Å; R95-F101 HydrophobicContact CB-CD1 4.24Å; R95-F101 HydrophobicContact CB-CD2 4.26Å; R95-F101 HydrophobicContact CB-CE1 3.79Å; R95-F101 HydrophobicContact CB-CE2 3.8Å; R95-F101 HydrophobicContact CB-CG 4.47Å; R95-F101 HydrophobicContact CB-CZ 3.54Å; R95-F101 VanDerWaalsContact CD-CD1 3.45Å; R95-F101 VanDerWaalsContact CD-CG 3.43Å; R95-F101 HydrophobicContact CG-CD1 3.6Å; R95-F101 HydrophobicContact CG-CD2 4.31Å; R95-F101 HydrophobicContact CG-CE1 3.49Å; R95-F101 VanDerWaalsContact CG-CE1 3.49Å; R95-F101 HydrophobicContact CG-CE2 4.23Å; R95-F101 HydrophobicContact CG-CG 4.02Å; R95-F101 HydrophobicContact CG-CZ 3.82Å; R95-T126 VanDerWaalsContact CZ-CG2 3.49Å
96	L	94.6	Very high	96.1	Very high	56 Å²	56	45.3 Å²	45.3	29%	0.293	25%	0.247	S	C	.	.			trans	-69.7	149.5	175.9	-54.3	174.8	0	0	0	110.3	D74 H98 Q99	D74-L96 HydrophobicContact CB-CD1 4.15Å; L96-H98 PolarHBondContact O-N 3.31Å; L96-H98 VanDerWaalsContact O-N 3.09Å; L96-Q99 HydrophobicContact CB-CG 3.87Å; L96-Q99 WeakPolarHBondContact O-CB 3.03Å; L96-Q99 PolarHBondContact O-N 3.16Å
97	S	93.4	Very high	96	Very high	64 Å²	64	46.8 Å²	46.8	45%	0.448	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.2	-171	57.1	0	0	0	0	113.7	T334 V335	S97-T334 CarbonylContact O-C 3.49Å; S97-T334 WeakPolarHBondContact O-CA 3.04Å; S97-V335 PolarHBondContact O-N 2.95Å
98	H	92.2	Very high	96.1	Very high	55 Å²	55	42.7 Å²	42.7	26%	0.255	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.2	-178	68.4	-90.6	0	0	0	114.6	L96 K329 V335	L96-H98 PolarHBondContact O-N 3.31Å; L96-H98 VanDerWaalsContact O-N 3.09Å; H98-K329 PolarHBondContact O-NZ 2.9Å; H98-V335 WeakPolarHBondContact O-CG1 3.47Å
99	Q	95.1	Very high	96.1	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-101	138.6	-173.4	-54.7	-173.1	-65.4	0	0	112.7	I73 S76 S77 R95 L96 V335	I73-Q99 PolarHBondContact O-NE2 3.44Å; S76-Q99 VanDerWaalsContact O-CG 3.22Å; S76-Q99 WeakPolarHBondContact O-CG 3.33Å; S76-Q99 PolarHBondContact O-NE2 3.41Å; S77-Q99 WeakPolarHBondContact O-CA 3.28Å; R95-Q99 WeakPolarHBondContact CD-O 3.43Å; R95-Q99 HydrophobicContact CG-CB 4.14Å; R95-Q99 PolarHBondContact NH1-O 2.79Å; L96-Q99 HydrophobicContact CB-CG 3.87Å; L96-Q99 WeakPolarHBondContact O-CB 3.03Å; L96-Q99 PolarHBondContact O-N 3.16Å; Q99-V335 WeakPolarHBondContact O-CG2 3.41Å
100	H	97	Very high	96	Very high	21 Å²	21	39.5 Å²	39.5	10%	0.097	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.8	166.7	-71.3	-80.6	0	0	0	112.1	S77 A78 V79 V102 T126 L127 V335	S77-H100 PolarHBondContact O-N 3.19Å; A78-H100 CarbonylContact C-O 3.59Å; A78-H100 VanDerWaalsContact CA-O 3.24Å; A78-H100 WeakPolarHBondContact CA-O 3.44Å; A78-H100 HydrophobicContact CB-CB 4.4Å; V79-H100 PolarHBondContact N-O 2.99Å; H100-V102 HydrophobicContact CB-CG2 4.25Å; H100-T126 WeakPolarHBondContact CA-OG1 3.42Å; H100-T126 WeakPolarHBondContact CB-OG1 3.39Å; H100-T126 PolarHBondContact ND1-OG1 3.12Å; H100-L127 HydrophobicContact CB-CD1 3.76Å; H100-L127 HydrophobicContact CB-CG 4.17Å; H100-L127 VanDerWaalsContact CG-CD1 3.49Å; H100-L127 WeakPolarHBondContact ND1-CG 3.41Å; H100-V335 VanDerWaalsContact CE1-CB 3.46Å; H100-V335 WeakPolarHBondContact CE1-CB 3.29Å; H100-V335 WeakPolarHBondContact NE2-CG1 3.45Å
101	F	98.4	Very high	95.9	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.8	163	-82.2	13.6	0	0	0	107.7	V79 F81 P92 R95 F124 Y125 T126 L127	V79-F101 HydrophobicContact CB-CD1 3.72Å; V79-F101 HydrophobicContact CB-CE1 3.78Å; V79-F101 HydrophobicContact CG1-CE1 4.47Å; V79-F101 HydrophobicContact CG2-CD1 4.01Å; V79-F101 HydrophobicContact CG2-CE1 3.68Å; V79-F101 CarbonylContact O-C 3.48Å; V79-F101 WeakPolarHBondContact O-CA 3.33Å; F81-F101 HydrophobicContact CD2-CB 4.39Å; F81-F101 HydrophobicContact CE2-CB 3.8Å; F81-F101 AromaticContact CE2-CD1 3.88Å; F81-F101 HydrophobicContact CE2-CD1 3.88Å; F81-F101 AromaticContact CE2-CD2 3.69Å; F81-F101 HydrophobicContact CE2-CD2 3.69Å; F81-F101 HydrophobicContact CE2-CE1 4.37Å; F81-F101 HydrophobicContact CE2-CE2 4.21Å; F81-F101 AromaticContact CE2-CG 3.51Å; F81-F101 HydrophobicContact CE2-CG 3.51Å; F81-F101 HydrophobicContact CZ-CD1 4.31Å; F81-F101 AromaticContact CZ-CD2 3.86Å; F81-F101 HydrophobicContact CZ-CD2 3.86Å; F81-F101 HydrophobicContact CZ-CE1 4.36Å; F81-F101 AromaticContact CZ-CE2 3.92Å; F81-F101 HydrophobicContact CZ-CE2 3.92Å; F81-F101 HydrophobicContact CZ-CG 4.07Å; F81-F101 HydrophobicContact CZ-CZ 4.18Å; P92-F101 HydrophobicContact CB-CE2 4.38Å; P92-F101 HydrophobicContact CB-CZ 3.85Å; P92-F101 HydrophobicContact CG-CE2 4.16Å; P92-F101 HydrophobicContact CG-CZ 3.71Å; R95-F101 HydrophobicContact CB-CD1 4.24Å; R95-F101 HydrophobicContact CB-CD2 4.26Å; R95-F101 HydrophobicContact CB-CE1 3.79Å; R95-F101 HydrophobicContact CB-CE2 3.8Å; R95-F101 HydrophobicContact CB-CG 4.47Å; R95-F101 HydrophobicContact CB-CZ 3.54Å; R95-F101 VanDerWaalsContact CD-CD1 3.45Å; R95-F101 VanDerWaalsContact CD-CG 3.43Å; R95-F101 HydrophobicContact CG-CD1 3.6Å; R95-F101 HydrophobicContact CG-CD2 4.31Å; R95-F101 HydrophobicContact CG-CE1 3.49Å; R95-F101 VanDerWaalsContact CG-CE1 3.49Å; R95-F101 HydrophobicContact CG-CE2 4.23Å; R95-F101 HydrophobicContact CG-CG 4.02Å; R95-F101 HydrophobicContact CG-CZ 3.82Å; F101-F124 WeakPolarHBondContact CB-O 3.38Å; F101-F124 HydrophobicContact CD2-CD1 4.25Å; F101-F124 HydrophobicContact CD2-CD2 4.19Å; F101-F124 AromaticContact CD2-CE1 3.8Å; F101-F124 HydrophobicContact CD2-CE1 3.8Å; F101-F124 AromaticContact CD2-CE2 3.74Å; F101-F124 HydrophobicContact CD2-CE2 3.74Å; F101-F124 HydrophobicContact CD2-CG 4.43Å; F101-F124 AromaticContact CD2-CZ 3.52Å; F101-F124 HydrophobicContact CD2-CZ 3.52Å; F101-F124 HydrophobicContact CE2-CD2 4.43Å; F101-F124 HydrophobicContact CE2-CE1 4.42Å; F101-F124 AromaticContact CE2-CE2 3.7Å; F101-F124 HydrophobicContact CE2-CE2 3.7Å; F101-F124 AromaticContact CE2-CZ 3.69Å; F101-F124 HydrophobicContact CE2-CZ 3.69Å; F101-Y125 CarbonylContact O-C 3.51Å; F101-Y125 WeakPolarHBondContact O-CA 3.43Å; F101-T126 PolarHBondContact N-OG1 2.79Å; F101-T126 VanDerWaalsContact N-OG1 3.15Å; F101-T126 PolarHBondContact O-N 3.07Å; F101-L127 PolarHBondContact O-N 2.97Å
102	V	98.8	Very high	95.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.6	-169.1	-170.8	0	0	0	0	109.8	A78 V79 V80 F81 H100 F104 L127 M129 L322	A78-V102 HydrophobicContact CB-CG2 4.09Å; V79-V102 PolarHBondContact O-N 3.39Å; V80-V102 HydrophobicContact CB-CB 4.46Å; V80-V102 HydrophobicContact CG1-CB 4.47Å; V80-V102 HydrophobicContact CG2-CB 4.09Å; V80-V102 HydrophobicContact CG2-CG2 4.19Å; F81-V102 PolarHBondContact N-O 2.91Å; H100-V102 HydrophobicContact CB-CG2 4.25Å; V102-F104 PolarHBondContact O-N 3.39Å; V102-L127 WeakPolarHBondContact CA-O 3.49Å; V102-L127 HydrophobicContact CG1-CB 4.27Å; V102-L127 HydrophobicContact CG2-CB 4.25Å; V102-L127 HydrophobicContact CG2-CD1 4.44Å; V102-M129 HydrophobicContact CG1-CB 3.65Å; V102-L322 HydrophobicContact CG2-CD1 4.21Å
103	F	98.7	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	114.7	167.4	171.6	-102.7	0	0	0	108.9	D83 L105 F117 Y125 L127 T128 M129 T130 V344 Y348	D83-F103 HydrophobicContact CB-CD2 4.2Å; D83-F103 HydrophobicContact CB-CE2 3.54Å; D83-F103 HydrophobicContact CB-CZ 4.23Å; F103-L105 HydrophobicContact CE1-CB 3.79Å; F103-L105 HydrophobicContact CE2-CB 4.3Å; F103-L105 HydrophobicContact CZ-CB 3.58Å; F103-L105 HydrophobicContact CZ-CD2 3.77Å; F103-L105 HydrophobicContact CZ-CG 4.33Å; F103-F117 AromaticContact CE2-CD2 3.87Å; F103-F117 HydrophobicContact CE2-CD2 3.87Å; F103-F117 HydrophobicContact CE2-CE2 4.01Å; F103-F117 HydrophobicContact CZ-CD2 4.1Å; F103-F117 AromaticContact CZ-CE2 3.83Å; F103-F117 HydrophobicContact CZ-CE2 3.83Å; F103-Y125 HydrophobicContact CB-CD1 3.79Å; F103-Y125 HydrophobicContact CB-CD2 3.94Å; F103-Y125 HydrophobicContact CB-CE1 4.05Å; F103-Y125 HydrophobicContact CB-CE2 4.17Å; F103-Y125 HydrophobicContact CB-CG 3.74Å; F103-Y125 HydrophobicContact CD2-CD2 4.38Å; F103-Y125 AromaticContact CD2-CE2 3.88Å; F103-Y125 HydrophobicContact CD2-CE2 3.88Å; F103-Y125 AromaticContact CD2-CZ 3.97Å; F103-Y125 HydrophobicContact CG-CE2 4.47Å; F103-L127 PolarHBondContact N-O 2.93Å; F103-T128 HydrophobicContact CD1-CG2 4.5Å; F103-M129 PolarHBondContact O-N 3.34Å; F103-T130 HydrophobicContact CD1-CG2 3.92Å; F103-T130 HydrophobicContact CE1-CG2 3.77Å; F103-V344 HydrophobicContact CB-CG1 4.49Å; F103-V344 HydrophobicContact CB-CG2 4.28Å; F103-V344 HydrophobicContact CD1-CG1 3.6Å; F103-V344 HydrophobicContact CD2-CG1 3.93Å; F103-V344 HydrophobicContact CE1-CG1 3.64Å; F103-V344 HydrophobicContact CE2-CG1 3.95Å; F103-V344 HydrophobicContact CG-CG1 3.75Å; F103-V344 HydrophobicContact CG-CG2 4.38Å; F103-V344 HydrophobicContact CZ-CG1 3.81Å; F103-Y348 HydrophobicContact CZ-CD1 4.46Å
104	F	98.6	Very high	96.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.2	178.8	176.7	-135.9	0	0	0	111.1	M42 F46 F51 V80 F81 H82 D83 V102 L106 M129 Y315	M42-F104 HydrophobicContact CE-CD1 4.41Å; F46-F104 HydrophobicContact CD2-CD1 4.38Å; F46-F104 AromaticContact CD2-CE1 3.56Å; F46-F104 HydrophobicContact CD2-CE1 3.56Å; F46-F104 HydrophobicContact CD2-CZ 4.2Å; F46-F104 AromaticContact CE2-CE1 3.82Å; F46-F104 HydrophobicContact CE2-CE1 3.82Å; F46-F104 HydrophobicContact CE2-CZ 4.02Å; F46-F104 HydrophobicContact CG-CE1 4.42Å; F51-F104 HydrophobicContact CE2-CE1 4Å; F51-F104 HydrophobicContact CZ-CE1 4.16Å; F51-F104 HydrophobicContact CZ-CZ 4.34Å; V80-F104 HydrophobicContact CG1-CB 3.54Å; V80-F104 HydrophobicContact CG1-CD1 4.04Å; V80-F104 HydrophobicContact CG1-CG 4.03Å; F81-F104 PolarHBondContact O-N 3.26Å; H82-F104 WeakPolarHBondContact CA-O 3.38Å; H82-F104 HydrophobicContact CB-CD1 4.12Å; H82-F104 PolarHBondContact CD2-O 3.17Å; D83-F104 PolarHBondContact N-O 3.36Å; V102-F104 PolarHBondContact O-N 3.39Å; F104-L106 HydrophobicContact CE2-CD1 4.34Å; F104-L106 HydrophobicContact CE2-CD2 3.93Å; F104-L106 HydrophobicContact CE2-CG 3.86Å; F104-L106 HydrophobicContact CZ-CD1 4.43Å; F104-L106 HydrophobicContact CZ-CG 4.28Å; F104-M129 WeakPolarHBondContact CA-O 3.47Å; F104-M129 HydrophobicContact CB-CB 4.49Å; F104-M129 HydrophobicContact CD2-CB 4.15Å; F104-M129 HydrophobicContact CD2-CE 4.33Å; F104-M129 HydrophobicContact CD2-CG 3.72Å; F104-M129 WeakPolarHBondContact CD2-O 3.4Å; F104-M129 HydrophobicContact CD2-SD 3.99Å; F104-M129 HydrophobicContact CE2-CE 4.14Å; F104-M129 HydrophobicContact CE2-CG 4.25Å; F104-M129 HydrophobicContact CE2-SD 4.4Å; F104-M129 HydrophobicContact CG-SD 4.48Å; F104-Y315 HydrophobicContact CZ-CD1 4.47Å; F104-Y315 HydrophobicContact CZ-CE1 4.38Å
105	L	98	Very high	96.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	126.3	176.1	-174	61.4	0	0	0	110.9	D83 R84 F103 E107 V112 M129 T130 Y348	D83-L105 HydrophobicContact CB-CB 4.21Å; D83-L105 HydrophobicContact CB-CD1 4.2Å; D83-L105 HydrophobicContact CB-CD2 4.32Å; D83-L105 HydrophobicContact CB-CG 4.48Å; R84-L105 HydrophobicContact CG-CD1 3.71Å; F103-L105 HydrophobicContact CE1-CB 3.79Å; F103-L105 HydrophobicContact CE2-CB 4.3Å; F103-L105 HydrophobicContact CZ-CB 3.58Å; F103-L105 HydrophobicContact CZ-CD2 3.77Å; F103-L105 HydrophobicContact CZ-CG 4.33Å; L105-E107 HydrophobicContact CD1-CB 3.82Å; L105-E107 HydrophobicContact CD1-CG 4.28Å; L105-E107 HydrophobicContact CG-CB 4.21Å; L105-V112 HydrophobicContact CD2-CB 4.39Å; L105-V112 HydrophobicContact CD2-CG1 3.72Å; L105-M129 PolarHBondContact N-O 2.95Å; L105-M129 VanDerWaalsContact N-O 3.16Å; L105-T130 VanDerWaalsContact O-CA 3.28Å; L105-T130 WeakPolarHBondContact O-CA 3.48Å; L105-T130 VanDerWaalsContact O-CB 3.28Å; L105-T130 WeakPolarHBondContact O-CB 3.42Å; L105-Y348 HydrophobicContact CD2-CE1 3.77Å
106	L	96.6	Very high	96.5	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	17%	0.174	C	C	.	.			trans	-102.8	-7.2	173.1	-59.2	-171	0	0	0	113.2	F104 Y131 V139 Y141 Y238 Y315	F104-L106 HydrophobicContact CE2-CD1 4.34Å; F104-L106 HydrophobicContact CE2-CD2 3.93Å; F104-L106 HydrophobicContact CE2-CG 3.86Å; F104-L106 HydrophobicContact CZ-CD1 4.43Å; F104-L106 HydrophobicContact CZ-CG 4.28Å; L106-Y131 WeakPolarHBondContact O-CD1 3.3Å; L106-V139 HydrophobicContact CD1-CG1 4.26Å; L106-V139 HydrophobicContact CD2-CB 3.8Å; L106-V139 HydrophobicContact CD2-CG1 3.91Å; L106-Y141 HydrophobicContact CB-CE2 4.1Å; L106-Y141 WeakPolarHBondContact O-CE2 3.49Å; L106-Y141 PolarHBondContact O-OH 2.74Å; L106-Y238 WeakPolarHBondContact O-CE2 3.4Å; L106-Y315 HydrophobicContact CD1-CD1 4.31Å; L106-Y315 HydrophobicContact CD1-CE1 3.55Å
107	E	97	Very high	96.6	Very high	45 Å²	45	30.2 Å²	30.2	21%	0.21	16%	0.163	C	C	.	.	S	Bend	trans	-79.9	155.8	176.2	-69.7	-66.1	163.8	0	0	112	L105 H111 Y238 Y348	L105-E107 HydrophobicContact CD1-CB 3.82Å; L105-E107 HydrophobicContact CD1-CG 4.28Å; L105-E107 HydrophobicContact CG-CB 4.21Å; E107-H111 HydrophobicContact CB-CB 3.68Å; E107-H111 HydrophobicContact CG-CB 4.31Å; E107-H111 IonicContact OE2-CD2 2.7Å; E107-Y238 PolarHBondContact OE2-OH 2.94Å; E107-Y348 PolarHBondContact O-OH 3.25Å
108	S	97.1	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.			trans	-63.6	163.9	176.8	70.4	0	0	0	0	113.2	Y110 H111 S233	S108-Y110 PolarHBondContact O-N 2.68Å; S108-Y110 VanDerWaalsContact O-N 3.08Å; S108-H111 CarbonylContact O-C 3.22Å; S108-H111 WeakPolarHBondContact O-CA 3.44Å; S108-H111 WeakPolarHBondContact O-CB 3.45Å; S108-H111 PolarHBondContact O-N 3.09Å; S108-S233 VanDerWaalsContact CB-CB 3.5Å; S108-S233 VanDerWaalsContact OG-CB 3.25Å; S108-S233 WeakPolarHBondContact OG-CB 3.4Å; S108-S233 PolarHBondContact OG-OG 2.92Å
109	P	96.7	Very high	97	Very high	15 Å²	15	36.1 Å²	36.1	10%	0.097	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-50.6	-30.6	172.9	-33.3	37.9	0	0	0	116.4	H111 V112 Y131 Y348 T353 C354	P109-H111 PolarHBondContact O-N 2.99Å; P109-H111 VanDerWaalsContact O-N 3.11Å; P109-V112 WeakPolarHBondContact O-CG2 3.48Å; P109-Y131 WeakPolarHBondContact CD-OH 3.45Å; P109-Y348 HydrophobicContact CG-CD1 4.14Å; P109-Y348 HydrophobicContact CG-CE1 4.14Å; P109-Y348 VanDerWaalsContact CG-O 3.24Å; P109-Y348 WeakPolarHBondContact CG-O 3.45Å; P109-T353 HydrophobicContact CG-CG2 4.11Å; P109-C354 VanDerWaalsContact CD-SG 3.6Å; P109-C354 VanDerWaalsContact CG-SG 3.53Å
110	Y	95.8	Very high	97.1	Very high	75 Å²	75	36.7 Å²	36.7	29%	0.294	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-67.6	-8	173.2	-66.1	-72	0	0	0	114.7	S108 P180 S233 C354 D356	S108-Y110 PolarHBondContact O-N 2.68Å; S108-Y110 VanDerWaalsContact O-N 3.08Å; Y110-P180 HydrophobicContact CD1-CB 4.15Å; Y110-P180 HydrophobicContact CD1-CG 4.22Å; Y110-P180 HydrophobicContact CD2-CB 3.92Å; Y110-P180 HydrophobicContact CD2-CG 4.17Å; Y110-P180 HydrophobicContact CE1-CB 4.17Å; Y110-P180 HydrophobicContact CE2-CB 3.92Å; Y110-P180 HydrophobicContact CG-CB 4.02Å; Y110-P180 HydrophobicContact CG-CG 3.92Å; Y110-S233 WeakPolarHBondContact CD2-OG 3.44Å; Y110-C354 HydrophobicContact CD2-CB 4.28Å; Y110-C354 HydrophobicContact CE2-CB 3.45Å; Y110-C354 VanDerWaalsContact CE2-CB 3.45Å; Y110-D356 WeakPolarHBondContact CE1-OD1 3.2Å; Y110-D356 PolarHBondContact OH-N 3.27Å; Y110-D356 PolarHBondContact OH-OD1 3Å
111	H	95.6	Very high	97	Very high	39 Å²	39	36.3 Å²	36.3	18%	0.181	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-126.3	20	-169.4	-71.1	-23.9	0	0	0	111.4	R84 E107 S108 P109	R84-H111 WeakPolarHBondContact CD-O 3.32Å; R84-H111 PolarHBondContact NH1-O 3.02Å; E107-H111 HydrophobicContact CB-CB 3.68Å; E107-H111 HydrophobicContact CG-CB 4.31Å; E107-H111 IonicContact OE2-CD2 2.7Å; S108-H111 CarbonylContact O-C 3.22Å; S108-H111 WeakPolarHBondContact O-CA 3.44Å; S108-H111 WeakPolarHBondContact O-CB 3.45Å; S108-H111 PolarHBondContact O-N 3.09Å; P109-H111 PolarHBondContact O-N 2.99Å; P109-H111 VanDerWaalsContact O-N 3.11Å
112	V	97	Very high	96.9	Very high	33 Å²	33	39.6 Å²	39.6	20%	0.2	21%	0.211	C	C	.	.	S	Bend	trans	-65.8	160.3	165.3	-60.8	0	0	0	0	111.2	D83 L105 P109 F117 Y348	D83-V112 WeakPolarHBondContact OD2-CA 3.38Å; L105-V112 HydrophobicContact CD2-CB 4.39Å; L105-V112 HydrophobicContact CD2-CG1 3.72Å; P109-V112 WeakPolarHBondContact O-CG2 3.48Å; V112-F117 HydrophobicContact CB-CB 3.95Å; V112-F117 HydrophobicContact CB-CD1 3.76Å; V112-F117 HydrophobicContact CB-CD2 3.86Å; V112-F117 HydrophobicContact CB-CE1 4.16Å; V112-F117 HydrophobicContact CB-CE2 4.26Å; V112-F117 HydrophobicContact CB-CG 3.59Å; V112-F117 HydrophobicContact CB-CZ 4.4Å; V112-F117 HydrophobicContact CG1-CD1 4.03Å; V112-F117 HydrophobicContact CG1-CD2 3.82Å; V112-F117 HydrophobicContact CG1-CE1 3.91Å; V112-F117 HydrophobicContact CG1-CE2 3.71Å; V112-F117 HydrophobicContact CG1-CG 3.97Å; V112-F117 HydrophobicContact CG1-CZ 3.75Å; V112-F117 HydrophobicContact CG2-CB 4.18Å; V112-F117 HydrophobicContact CG2-CD1 3.51Å; V112-F117 HydrophobicContact CG2-CE1 3.95Å; V112-F117 HydrophobicContact CG2-CG 3.84Å; V112-Y348 HydrophobicContact CG1-CD1 4.11Å; V112-Y348 HydrophobicContact CG1-CE1 4.18Å
113	S	97	Very high	96.6	Very high	19 Å²	19	43.2 Å²	43.2	13%	0.133	25%	0.248	C	C	.	.			trans	-66.6	142	173.6	71.3	0	0	0	0	111.6	D83 I115 A116 F117	D83-S113 WeakPolarHBondContact O-CB 3.37Å; D83-S113 PolarHBondContact O-OG 3.32Å; D83-S113 PolarHBondContact OD1-OG 3.27Å; D83-S113 PolarHBondContact OD2-N 2.79Å; S113-I115 PolarHBondContact O-N 2.88Å; S113-A116 WeakPolarHBondContact OG-CB 3.36Å; S113-A116 PolarHBondContact OG-N 3.32Å; S113-F117 WeakPolarHBondContact O-CB 3.17Å; S113-F117 PolarHBondContact OG-N 3.25Å
114	T	94.3	Very high	96.6	Very high	136 Å²	136	44.8 Å²	44.8	83%	0.834	26%	0.255	S	S	*	.	S	Bend	trans	-70.2	-34.3	-175.1	-49.9	0	0	0	0	113
115	I	96.9	Very high	96.5	Very high	104 Å²	104	45 Å²	45	53%	0.533	26%	0.256	S	S	.	.	S	Bend	trans	-105.3	-55	-173.8	-59.3	175.3	0	0	0	110.8	V88 S113 F117 K118 N119	V88-I115 HydrophobicContact CG1-CG2 4.1Å; V88-I115 HydrophobicContact CG2-CG2 3.85Å; S113-I115 PolarHBondContact O-N 2.88Å; I115-F117 PolarHBondContact O-N 3.22Å; I115-K118 PolarHBondContact O-N 2.98Å; I115-N119 WeakPolarHBondContact O-CB 3.27Å; I115-N119 PolarHBondContact O-N 3.49Å; I115-N119 PolarHBondContact O-OD1 3.41Å
116	A	97.4	Very high	96.5	Very high	4 Å²	4	45 Å²	45	3%	0.033	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-39.3	-172.6	0	0	0	0	0	112.8	V86 V88 S113 K118 N119 L120	V86-A116 HydrophobicContact CG1-CB 3.43Å; V86-A116 VanDerWaalsContact CG1-CB 3.43Å; V88-A116 HydrophobicContact CG1-CB 3.81Å; S113-A116 WeakPolarHBondContact OG-CB 3.36Å; S113-A116 PolarHBondContact OG-N 3.32Å; A116-K118 VanDerWaalsContact C-N 3.27Å; A116-K118 PolarHBondContact O-N 3.2Å; A116-N119 PolarHBondContact O-N 3.16Å; A116-L120 HydrophobicContact CB-CD1 4.05Å; A116-L120 HydrophobicContact CB-CG 4.49Å; A116-L120 VanDerWaalsContact O-CB 3.26Å; A116-L120 WeakPolarHBondContact O-CB 3.3Å; A116-L120 WeakPolarHBondContact O-CG 3.32Å; A116-L120 PolarHBondContact O-N 3.15Å
117	F	97.6	Very high	96.6	Very high	14 Å²	14	45.5 Å²	45.5	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-42.4	178.4	-171.6	-113.9	0	0	0	111.8	F103 V112 S113 I115 S121 V344 M345 Y348 S349	F103-F117 AromaticContact CE2-CD2 3.87Å; F103-F117 HydrophobicContact CE2-CD2 3.87Å; F103-F117 HydrophobicContact CE2-CE2 4.01Å; F103-F117 HydrophobicContact CZ-CD2 4.1Å; F103-F117 AromaticContact CZ-CE2 3.83Å; F103-F117 HydrophobicContact CZ-CE2 3.83Å; V112-F117 HydrophobicContact CB-CB 3.95Å; V112-F117 HydrophobicContact CB-CD1 3.76Å; V112-F117 HydrophobicContact CB-CD2 3.86Å; V112-F117 HydrophobicContact CB-CE1 4.16Å; V112-F117 HydrophobicContact CB-CE2 4.26Å; V112-F117 HydrophobicContact CB-CG 3.59Å; V112-F117 HydrophobicContact CB-CZ 4.4Å; V112-F117 HydrophobicContact CG1-CD1 4.03Å; V112-F117 HydrophobicContact CG1-CD2 3.82Å; V112-F117 HydrophobicContact CG1-CE1 3.91Å; V112-F117 HydrophobicContact CG1-CE2 3.71Å; V112-F117 HydrophobicContact CG1-CG 3.97Å; V112-F117 HydrophobicContact CG1-CZ 3.75Å; V112-F117 HydrophobicContact CG2-CB 4.18Å; V112-F117 HydrophobicContact CG2-CD1 3.51Å; V112-F117 HydrophobicContact CG2-CE1 3.95Å; V112-F117 HydrophobicContact CG2-CG 3.84Å; S113-F117 WeakPolarHBondContact O-CB 3.17Å; S113-F117 PolarHBondContact OG-N 3.25Å; I115-F117 PolarHBondContact O-N 3.22Å; F117-S121 WeakPolarHBondContact O-CA 3.47Å; F117-S121 WeakPolarHBondContact O-CB 3.48Å; F117-S121 PolarHBondContact O-N 3.24Å; F117-V344 HydrophobicContact CE2-CG1 3.88Å; F117-M345 HydrophobicContact CD1-CB 4.49Å; F117-M345 HydrophobicContact CD1-CG 4.33Å; F117-M345 HydrophobicContact CE1-CB 3.91Å; F117-M345 HydrophobicContact CE1-CG 3.74Å; F117-M345 HydrophobicContact CZ-CB 4.12Å; F117-M345 HydrophobicContact CZ-CG 4.38Å; F117-Y348 HydrophobicContact CE2-CD1 4.24Å; F117-Y348 HydrophobicContact CZ-CD1 4.2Å; F117-S349 WeakPolarHBondContact CE1-OG 3.45Å; F117-S349 WeakPolarHBondContact CZ-OG 3.46Å
118	K	96.1	Very high	96.7	Very high	146 Å²	146	43.3 Å²	43.3	64%	0.635	25%	0.249	S	C	*	.	H	α-helix	trans	-72.4	-42.4	177.1	-177.5	179.1	172.5	-179.4	0	112.3	I115 A116 S121	I115-K118 PolarHBondContact O-N 2.98Å; A116-K118 VanDerWaalsContact C-N 3.27Å; A116-K118 PolarHBondContact O-N 3.2Å; K118-S121 PolarHBondContact O-OG 3.36Å
119	N	97.1	Very high	96.8	Very high	98 Å²	98	43.3 Å²	43.3	52%	0.524	25%	0.249	S	C	.	.	H	α-helix	trans	-79.8	-26.7	-172.5	-71.9	12.4	0	0	0	113.2	V88 I115 A116	V88-N119 HydrophobicContact CG1-CB 4.02Å; I115-N119 WeakPolarHBondContact O-CB 3.27Å; I115-N119 PolarHBondContact O-N 3.49Å; I115-N119 PolarHBondContact O-OD1 3.41Å; A116-N119 PolarHBondContact O-N 3.16Å
120	L	97.6	Very high	96.8	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.063	24%	0.244	C	C	.	.	S	Bend	trans	-108.8	2.6	-175.9	-51.5	-179.3	0	0	0	112.7	V86 V88 L91 A116 S122 F124 Y125	V86-L120 HydrophobicContact CG1-CD1 4.34Å; V86-L120 HydrophobicContact CG2-CD1 4.32Å; V88-L120 HydrophobicContact CG1-CD1 4.42Å; V88-L120 HydrophobicContact CG1-CG 4.31Å; L91-L120 HydrophobicContact CD1-CD1 4.15Å; L91-L120 HydrophobicContact CD1-CD2 3.54Å; L91-L120 HydrophobicContact CD1-CG 4.48Å; L91-L120 HydrophobicContact CD2-CD1 4.06Å; A116-L120 HydrophobicContact CB-CD1 4.05Å; A116-L120 HydrophobicContact CB-CG 4.49Å; A116-L120 VanDerWaalsContact O-CB 3.26Å; A116-L120 WeakPolarHBondContact O-CB 3.3Å; A116-L120 WeakPolarHBondContact O-CG 3.32Å; A116-L120 PolarHBondContact O-N 3.15Å; L120-S122 VanDerWaalsContact C-N 3.26Å; L120-S122 PolarHBondContact O-N 2.98Å; L120-F124 HydrophobicContact CB-CB 4.12Å; L120-F124 HydrophobicContact CB-CD1 3.96Å; L120-F124 HydrophobicContact CB-CG 4.13Å; L120-F124 HydrophobicContact CD1-CD1 4.15Å; L120-F124 HydrophobicContact CD1-CE1 4.08Å; L120-F124 HydrophobicContact CD2-CB 4.46Å; L120-F124 HydrophobicContact CD2-CD1 4.33Å; L120-F124 HydrophobicContact CD2-CD2 4.12Å; L120-F124 HydrophobicContact CD2-CE2 4.48Å; L120-F124 HydrophobicContact CD2-CG 4.05Å; L120-F124 HydrophobicContact CG-CD1 4.37Å; L120-F124 WeakPolarHBondContact O-CB 3.45Å; L120-Y125 HydrophobicContact CB-CE2 3.73Å; L120-Y125 WeakPolarHBondContact O-CD2 3.49Å; L120-Y125 VanDerWaalsContact O-CE2 3.26Å; L120-Y125 WeakPolarHBondContact O-CE2 3.4Å
121	S	95	Very high	96.8	Very high	14 Å²	14	39.2 Å²	39.2	10%	0.098	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-37.8	-173.9	56.2	0	0	0	0	113.7	F117 K118 D343 V344 M345	F117-S121 WeakPolarHBondContact O-CA 3.47Å; F117-S121 WeakPolarHBondContact O-CB 3.48Å; F117-S121 PolarHBondContact O-N 3.24Å; K118-S121 PolarHBondContact O-OG 3.36Å; S121-D343 CarbonylContact O-C 3.48Å; S121-D343 WeakPolarHBondContact O-CA 3.29Å; S121-V344 PolarHBondContact O-N 3.01Å; S121-M345 VanDerWaalsContact CB-CB 3.5Å
122	S	95.8	Very high	96.8	Very high	73 Å²	73	37.8 Å²	37.8	51%	0.51	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-125.9	141.6	-176.3	-167.4	0	0	0	0	111.4	L120 F124 K342	L120-S122 VanDerWaalsContact C-N 3.26Å; L120-S122 PolarHBondContact O-N 2.98Å; S122-F124 PolarHBondContact O-N 3.44Å; S122-K342 WeakPolarHBondContact CA-O 3.33Å; S122-K342 WeakPolarHBondContact CB-O 3.29Å; S122-K342 PolarHBondContact OG-O 2.78Å
123	G	93.4	Very high	96.7	Very high	76 Å²	76	39.2 Å²	39.2	78%	0.784	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	-9.2	176.1	0	0	0	0	0	116
124	F	97.1	Very high	96.7	Very high	33 Å²	33	41.5 Å²	41.5	15%	0.145	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-53.5	-179	-173.6	-101.2	0	0	0	113	F81 L91 F101 L120 S122	F81-F124 HydrophobicContact CD1-CE1 4.19Å; F81-F124 HydrophobicContact CD1-CZ 4.34Å; F81-F124 HydrophobicContact CD2-CE1 4.02Å; F81-F124 HydrophobicContact CE1-CE1 4.05Å; F81-F124 AromaticContact CE1-CZ 3.8Å; F81-F124 HydrophobicContact CE1-CZ 3.8Å; F81-F124 AromaticContact CE2-CE1 3.9Å; F81-F124 HydrophobicContact CE2-CE1 3.9Å; F81-F124 HydrophobicContact CE2-CZ 4.09Å; F81-F124 HydrophobicContact CG-CE1 4.16Å; F81-F124 AromaticContact CZ-CE1 3.91Å; F81-F124 HydrophobicContact CZ-CE1 3.91Å; F81-F124 AromaticContact CZ-CZ 3.66Å; F81-F124 HydrophobicContact CZ-CZ 3.66Å; L91-F124 HydrophobicContact CD1-CE2 4.1Å; L91-F124 HydrophobicContact CD1-CZ 4.34Å; L91-F124 HydrophobicContact CD2-CE2 4.45Å; L91-F124 HydrophobicContact CD2-CZ 3.91Å; F101-F124 WeakPolarHBondContact CB-O 3.38Å; F101-F124 HydrophobicContact CD2-CD1 4.25Å; F101-F124 HydrophobicContact CD2-CD2 4.19Å; F101-F124 AromaticContact CD2-CE1 3.8Å; F101-F124 HydrophobicContact CD2-CE1 3.8Å; F101-F124 AromaticContact CD2-CE2 3.74Å; F101-F124 HydrophobicContact CD2-CE2 3.74Å; F101-F124 HydrophobicContact CD2-CG 4.43Å; F101-F124 AromaticContact CD2-CZ 3.52Å; F101-F124 HydrophobicContact CD2-CZ 3.52Å; F101-F124 HydrophobicContact CE2-CD2 4.43Å; F101-F124 HydrophobicContact CE2-CE1 4.42Å; F101-F124 AromaticContact CE2-CE2 3.7Å; F101-F124 HydrophobicContact CE2-CE2 3.7Å; F101-F124 AromaticContact CE2-CZ 3.69Å; F101-F124 HydrophobicContact CE2-CZ 3.69Å; L120-F124 HydrophobicContact CB-CB 4.12Å; L120-F124 HydrophobicContact CB-CD1 3.96Å; L120-F124 HydrophobicContact CB-CG 4.13Å; L120-F124 HydrophobicContact CD1-CD1 4.15Å; L120-F124 HydrophobicContact CD1-CE1 4.08Å; L120-F124 HydrophobicContact CD2-CB 4.46Å; L120-F124 HydrophobicContact CD2-CD1 4.33Å; L120-F124 HydrophobicContact CD2-CD2 4.12Å; L120-F124 HydrophobicContact CD2-CE2 4.48Å; L120-F124 HydrophobicContact CD2-CG 4.05Å; L120-F124 HydrophobicContact CG-CD1 4.37Å; L120-F124 WeakPolarHBondContact O-CB 3.45Å; S122-F124 PolarHBondContact O-N 3.44Å
125	Y	98.1	Very high	96.9	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.012	21%	0.209	C	C	.	.			trans	-81.6	153.9	-179.2	-57.5	-67	0	0	0	112.4	F81 F101 F103 L120 V344	F81-Y125 HydrophobicContact CB-CE1 3.91Å; F81-Y125 HydrophobicContact CD2-CD1 4.45Å; F81-Y125 AromaticContact CD2-CE1 3.99Å; F81-Y125 HydrophobicContact CD2-CE1 3.99Å; F81-Y125 HydrophobicContact CG-CE1 4.13Å; F101-Y125 CarbonylContact O-C 3.51Å; F101-Y125 WeakPolarHBondContact O-CA 3.43Å; F103-Y125 HydrophobicContact CB-CD1 3.79Å; F103-Y125 HydrophobicContact CB-CD2 3.94Å; F103-Y125 HydrophobicContact CB-CE1 4.05Å; F103-Y125 HydrophobicContact CB-CE2 4.17Å; F103-Y125 HydrophobicContact CB-CG 3.74Å; F103-Y125 HydrophobicContact CD2-CD2 4.38Å; F103-Y125 AromaticContact CD2-CE2 3.88Å; F103-Y125 HydrophobicContact CD2-CE2 3.88Å; F103-Y125 AromaticContact CD2-CZ 3.97Å; F103-Y125 HydrophobicContact CG-CE2 4.47Å; L120-Y125 HydrophobicContact CB-CE2 3.73Å; L120-Y125 WeakPolarHBondContact O-CD2 3.49Å; L120-Y125 VanDerWaalsContact O-CE2 3.26Å; L120-Y125 WeakPolarHBondContact O-CE2 3.4Å; Y125-V344 HydrophobicContact CD2-CG2 3.83Å; Y125-V344 HydrophobicContact CG-CG2 4.41Å
126	T	97.8	Very high	96.9	Very high	1 Å²	1	33 Å²	33	1%	0.006	20%	0.197	C	C	.	.	S	Bend	trans	-123.2	-16.5	172.9	67.5	0	0	0	0	113.7	R95 H100 F101 V335 V337 S338	R95-T126 VanDerWaalsContact CZ-CG2 3.49Å; H100-T126 WeakPolarHBondContact CA-OG1 3.42Å; H100-T126 WeakPolarHBondContact CB-OG1 3.39Å; H100-T126 PolarHBondContact ND1-OG1 3.12Å; F101-T126 PolarHBondContact N-OG1 2.79Å; F101-T126 VanDerWaalsContact N-OG1 3.15Å; F101-T126 PolarHBondContact O-N 3.07Å; T126-V335 HydrophobicContact CG2-CG2 4.3Å; T126-V337 HydrophobicContact CG2-CG2 4.12Å; T126-S338 PolarHBondContact O-N 2.75Å; T126-S338 PolarHBondContact O-OG 2.84Å
127	L	98.5	Very high	97	Very high	15 Å²	15	32.8 Å²	32.8	8%	0.079	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.2	171.6	-64.5	174.4	0	0	0	111.1	H100 F101 V102 F103 D136 L322	H100-L127 HydrophobicContact CB-CD1 3.76Å; H100-L127 HydrophobicContact CB-CG 4.17Å; H100-L127 VanDerWaalsContact CG-CD1 3.49Å; H100-L127 WeakPolarHBondContact ND1-CG 3.41Å; F101-L127 PolarHBondContact O-N 2.97Å; V102-L127 WeakPolarHBondContact CA-O 3.49Å; V102-L127 HydrophobicContact CG1-CB 4.27Å; V102-L127 HydrophobicContact CG2-CB 4.25Å; V102-L127 HydrophobicContact CG2-CD1 4.44Å; F103-L127 PolarHBondContact N-O 2.93Å; L127-D136 WeakPolarHBondContact CA-OD2 3.32Å; L127-D136 HydrophobicContact CB-CB 4.31Å; L127-D136 HydrophobicContact CD2-CB 3.82Å; L127-L322 HydrophobicContact CD1-CD1 4.21Å
128	T	98.7	Very high	96.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136	174.9	55.2	0	0	0	0	110.9	F103 D136 V137 T340 A341 V344 W347	F103-T128 HydrophobicContact CD1-CG2 4.5Å; T128-D136 PolarHBondContact N-OD2 2.68Å; T128-D136 WeakPolarHBondContact O-CB 3.36Å; T128-D136 PolarHBondContact O-N 2.76Å; T128-D136 VanDerWaalsContact O-N 3.16Å; T128-D136 PolarHBondContact OG1-N 3.18Å; T128-D136 VanDerWaalsContact OG1-N 3.08Å; T128-D136 PolarHBondContact OG1-OD2 3.07Å; T128-V137 PolarHBondContact O-N 2.96Å; T128-T340 PolarHBondContact OG1-OG1 2.97Å; T128-A341 HydrophobicContact CG2-CB 4.18Å; T128-V344 HydrophobicContact CG2-CG2 4.14Å; T128-W347 HydrophobicContact CG2-CE3 3.95Å; T128-W347 HydrophobicContact CG2-CH2 4.13Å; T128-W347 HydrophobicContact CG2-CZ3 3.53Å
129	M	98.7	Very high	97	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	100.5	179.3	-178.7	173.4	177.2	0	0	109	V102 F103 F104 L105 V137 V139 F319 L322	V102-M129 HydrophobicContact CG1-CB 3.65Å; F103-M129 PolarHBondContact O-N 3.34Å; F104-M129 WeakPolarHBondContact CA-O 3.47Å; F104-M129 HydrophobicContact CB-CB 4.49Å; F104-M129 HydrophobicContact CD2-CB 4.15Å; F104-M129 HydrophobicContact CD2-CE 4.33Å; F104-M129 HydrophobicContact CD2-CG 3.72Å; F104-M129 WeakPolarHBondContact CD2-O 3.4Å; F104-M129 HydrophobicContact CD2-SD 3.99Å; F104-M129 HydrophobicContact CE2-CE 4.14Å; F104-M129 HydrophobicContact CE2-CG 4.25Å; F104-M129 HydrophobicContact CE2-SD 4.4Å; F104-M129 HydrophobicContact CG-SD 4.48Å; L105-M129 PolarHBondContact N-O 2.95Å; L105-M129 VanDerWaalsContact N-O 3.16Å; M129-V137 VanDerWaalsContact CA-O 3.31Å; M129-V137 WeakPolarHBondContact CA-O 3.37Å; M129-V137 HydrophobicContact CB-CB 3.89Å; M129-V137 HydrophobicContact CB-CG1 4.39Å; M129-V137 HydrophobicContact CE-CG1 4.17Å; M129-V137 HydrophobicContact CG-CB 3.75Å; M129-V137 HydrophobicContact CG-CG1 3.69Å; M129-V137 HydrophobicContact SD-CB 4.44Å; M129-V137 HydrophobicContact SD-CG1 4.03Å; M129-V139 HydrophobicContact CE-CG2 3.68Å; M129-V139 HydrophobicContact CG-CG2 3.65Å; M129-F319 HydrophobicContact CE-CD1 4.41Å; M129-F319 HydrophobicContact CE-CD2 4.06Å; M129-F319 HydrophobicContact CE-CE1 4.43Å; M129-F319 HydrophobicContact CE-CE2 4.08Å; M129-F319 HydrophobicContact CE-CG 4.23Å; M129-F319 HydrophobicContact CE-CZ 4.27Å; M129-L322 HydrophobicContact SD-CD2 4.23Å
130	T	98	Very high	96.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	179.1	-170.8	78.5	0	0	0	0	112.2	F103 L105 R132 S135 V137 V139 W347 Y348	F103-T130 HydrophobicContact CD1-CG2 3.92Å; F103-T130 HydrophobicContact CE1-CG2 3.77Å; L105-T130 VanDerWaalsContact O-CA 3.28Å; L105-T130 WeakPolarHBondContact O-CA 3.48Å; L105-T130 VanDerWaalsContact O-CB 3.28Å; L105-T130 WeakPolarHBondContact O-CB 3.42Å; T130-R132 VanDerWaalsContact C-N 3.26Å; T130-R132 PolarHBondContact O-N 3.38Å; T130-R132 PolarHBondContact OG1-N 3.21Å; T130-R132 VanDerWaalsContact OG1-N 3.12Å; T130-S135 PolarHBondContact N-OG 2.93Å; T130-S135 PolarHBondContact O-OG 2.77Å; T130-S135 WeakPolarHBondContact OG1-CB 3.34Å; T130-S135 PolarHBondContact OG1-OG 2.96Å; T130-V137 PolarHBondContact N-O 3.46Å; T130-V139 PolarHBondContact O-N 3.19Å; T130-W347 HydrophobicContact CG2-CH2 3.91Å; T130-W347 HydrophobicContact CG2-CZ3 4.19Å; T130-Y348 HydrophobicContact CG2-CD2 4.31Å; T130-Y348 HydrophobicContact CG2-CE2 3.7Å
131	Y	95.9	Very high	96.8	Very high	4 Å²	4	24 Å²	24	2%	0.016	15%	0.154	C	C	.	.	S	Bend	trans	-70.9	-15.9	172.6	71.1	-97.8	0	0	0	114.2	L106 P109 H138 V139 T236 E237 Y238 Y348	L106-Y131 WeakPolarHBondContact O-CD1 3.3Å; P109-Y131 WeakPolarHBondContact CD-OH 3.45Å; Y131-H138 PolarHBondContact O-CD2 2.87Å; Y131-H138 PolarHBondContact O-NE2 3.19Å; Y131-V139 WeakPolarHBondContact CA-O 3.4Å; Y131-T236 WeakPolarHBondContact CE2-O 3.21Å; Y131-E237 WeakPolarHBondContact CD2-O 3.38Å; Y131-Y238 AromaticContact CD1-CD2 3.65Å; Y131-Y238 HydrophobicContact CD1-CD2 3.65Å; Y131-Y238 HydrophobicContact CD1-CE2 4.03Å; Y131-Y238 HydrophobicContact CD2-CD2 4.01Å; Y131-Y238 AromaticContact CE1-CD2 3.39Å; Y131-Y238 HydrophobicContact CE1-CD2 3.39Å; Y131-Y238 AromaticContact CE1-CE2 3.94Å; Y131-Y238 HydrophobicContact CE1-CE2 3.94Å; Y131-Y238 HydrophobicContact CE1-CG 4.36Å; Y131-Y238 AromaticContact CE2-CD2 3.8Å; Y131-Y238 HydrophobicContact CE2-CD2 3.8Å; Y131-Y238 HydrophobicContact CE2-CG 4.25Å; Y131-Y238 AromaticContact CG-CD2 3.96Å; Y131-Y238 HydrophobicContact CG-CD2 3.96Å; Y131-Y238 AromaticContact CZ-CD2 3.48Å; Y131-Y238 VanDerWaalsContact CZ-CD2 3.48Å; Y131-Y348 HydrophobicContact CE1-CE2 4.33Å; Y131-Y348 AromaticContact CE1-CZ 3.9Å; Y131-Y348 WeakPolarHBondContact CE1-OH 3.24Å
132	R	95.3	Very high	96.7	Very high	9 Å²	9	23.5 Å²	23.5	3%	0.034	15%	0.152	C	C	.	.	S	Bend	trans	-74.3	140.3	-178.8	-64.6	174	57.9	119.3	3.7	111.3	T130 D134 S135 H138 E237 W347 Y348 T353	T130-R132 VanDerWaalsContact C-N 3.26Å; T130-R132 PolarHBondContact O-N 3.38Å; T130-R132 PolarHBondContact OG1-N 3.21Å; T130-R132 VanDerWaalsContact OG1-N 3.12Å; R132-D134 VanDerWaalsContact CB-OD1 3.23Å; R132-D134 WeakPolarHBondContact CB-OD1 3.36Å; R132-D134 IonicContact CZ-OD1 2.96Å; R132-D134 IonicContact CZ-OD2 2.66Å; R132-D134 IonicContact NE-OD1 3.58Å; R132-D134 PolarHBondContact NE-OD1 2.96Å; R132-D134 IonicContact NE-OD2 2.68Å; R132-D134 IonicContact NH2-OD1 3.18Å; R132-D134 PolarHBondContact NH2-OD1 2.63Å; R132-D134 IonicContact NH2-OD2 2.76Å; R132-D134 PolarHBondContact NH2-OD2 3.39Å; R132-D134 PolarHBondContact O-N 3.22Å; R132-S135 WeakPolarHBondContact O-CB 3.32Å; R132-S135 PolarHBondContact O-N 3.02Å; R132-S135 PolarHBondContact O-OG 3.24Å; R132-H138 VanDerWaalsContact C-CD2 3.47Å; R132-H138 PolarHBondContact O-CD2 3.17Å; R132-H138 VanDerWaalsContact O-CD2 3.23Å; R132-E237 WeakPolarHBondContact CA-OE2 3.47Å; R132-W347 HydrophobicContact CB-CZ2 4.36Å; R132-Y348 HydrophobicContact CG-CE2 4.2Å; R132-T353 VanDerWaalsContact NH1-CG2 3.34Å
133	S	94.9	Very high	96.6	Very high	62 Å²	62	23 Å²	23	43%	0.434	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.8	-180	72	0	0	0	0	113.2	E237	S133-E237 WeakPolarHBondContact CB-OE1 3.44Å; S133-E237 WeakPolarHBondContact CB-OE2 3.39Å; S133-E237 PolarHBondContact N-OE2 2.87Å; S133-E237 PolarHBondContact OG-OE1 2.69Å; S133-E237 PolarHBondContact OG-OE2 2.99Å
134	D	95.9	Very high	96.6	Very high	68 Å²	68	21 Å²	21	36%	0.364	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	2.4	178.3	70.9	-19.3	0	0	0	114.2	R132 T340 W347	R132-D134 VanDerWaalsContact CB-OD1 3.23Å; R132-D134 WeakPolarHBondContact CB-OD1 3.36Å; R132-D134 IonicContact CZ-OD1 2.96Å; R132-D134 IonicContact CZ-OD2 2.66Å; R132-D134 IonicContact NE-OD1 3.58Å; R132-D134 PolarHBondContact NE-OD1 2.96Å; R132-D134 IonicContact NE-OD2 2.68Å; R132-D134 IonicContact NH2-OD1 3.18Å; R132-D134 PolarHBondContact NH2-OD1 2.63Å; R132-D134 IonicContact NH2-OD2 2.76Å; R132-D134 PolarHBondContact NH2-OD2 3.39Å; R132-D134 PolarHBondContact O-N 3.22Å; D134-T340 WeakPolarHBondContact O-CG2 2.97Å; D134-W347 WeakPolarHBondContact OD1-CZ2 3.22Å; D134-W347 PolarHBondContact OD2-NE1 3Å
135	S	98.1	Very high	96.4	Very high	9 Å²	9	22.9 Å²	22.9	6%	0.063	12%	0.118	C	C	.	.	S	Bend	trans	-74.4	153.1	170.9	63.7	0	0	0	0	111.8	T130 R132 V137 H138	T130-S135 PolarHBondContact N-OG 2.93Å; T130-S135 PolarHBondContact O-OG 2.77Å; T130-S135 WeakPolarHBondContact OG1-CB 3.34Å; T130-S135 PolarHBondContact OG1-OG 2.96Å; R132-S135 WeakPolarHBondContact O-CB 3.32Å; R132-S135 PolarHBondContact O-N 3.02Å; R132-S135 PolarHBondContact O-OG 3.24Å; S135-V137 PolarHBondContact O-N 3.15Å; S135-V137 PolarHBondContact OG-O 3.01Å; S135-H138 WeakPolarHBondContact OG-CA 3.43Å
136	D	98.3	Very high	96.3	Very high	52 Å²	52	29.6 Å²	29.6	28%	0.278	15%	0.15	S	C	.	.	S	Bend	trans	-59.4	-38	-178.9	-56.8	-70.5	0	0	0	111.2	L127 T128 L325 S338 T340	L127-D136 WeakPolarHBondContact CA-OD2 3.32Å; L127-D136 HydrophobicContact CB-CB 4.31Å; L127-D136 HydrophobicContact CD2-CB 3.82Å; T128-D136 PolarHBondContact N-OD2 2.68Å; T128-D136 WeakPolarHBondContact O-CB 3.36Å; T128-D136 PolarHBondContact O-N 2.76Å; T128-D136 VanDerWaalsContact O-N 3.16Å; T128-D136 PolarHBondContact OG1-N 3.18Å; T128-D136 VanDerWaalsContact OG1-N 3.08Å; T128-D136 PolarHBondContact OG1-OD2 3.07Å; D136-L325 WeakPolarHBondContact O-CD1 3.41Å; D136-S338 VanDerWaalsContact CG-CB 3.49Å; D136-S338 VanDerWaalsContact CG-OG 3.28Å; D136-S338 WeakPolarHBondContact OD1-CB 3.2Å; D136-S338 PolarHBondContact OD1-OG 2.63Å; D136-S338 WeakPolarHBondContact OD2-CB 3.36Å; D136-S338 PolarHBondContact OD2-OG 2.98Å; D136-T340 PolarHBondContact OD2-OG1 3.21Å
137	V	98.4	Very high	96.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	95.1	172.7	-177.2	0	0	0	0	109.6	T128 M129 T130 S135 V139 G318 K321 L322 L325	T128-V137 PolarHBondContact O-N 2.96Å; M129-V137 VanDerWaalsContact CA-O 3.31Å; M129-V137 WeakPolarHBondContact CA-O 3.37Å; M129-V137 HydrophobicContact CB-CB 3.89Å; M129-V137 HydrophobicContact CB-CG1 4.39Å; M129-V137 HydrophobicContact CE-CG1 4.17Å; M129-V137 HydrophobicContact CG-CB 3.75Å; M129-V137 HydrophobicContact CG-CG1 3.69Å; M129-V137 HydrophobicContact SD-CB 4.44Å; M129-V137 HydrophobicContact SD-CG1 4.03Å; T130-V137 PolarHBondContact N-O 3.46Å; S135-V137 PolarHBondContact O-N 3.15Å; S135-V137 PolarHBondContact OG-O 3.01Å; V137-V139 HydrophobicContact CG1-CG2 4.07Å; V137-V139 WeakPolarHBondContact O-CG2 3.48Å; V137-V139 PolarHBondContact O-N 3.08Å; V137-G318 WeakPolarHBondContact CG1-O 3.49Å; V137-K321 HydrophobicContact CG1-CB 4.05Å; V137-L322 HydrophobicContact CG1-CB 4.21Å; V137-L322 HydrophobicContact CG2-CB 3.97Å; V137-L322 HydrophobicContact CG2-CD1 4.03Å; V137-L325 HydrophobicContact CG2-CD1 3.54Å
138	H	97.1	Very high	95.8	Very high	51 Å²	51	38.4 Å²	38.4	24%	0.236	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	119.8	176.9	176.3	-149.7	0	0	0	113	Y131 R132 S135 P140 K321	Y131-H138 PolarHBondContact O-CD2 2.87Å; Y131-H138 PolarHBondContact O-NE2 3.19Å; R132-H138 VanDerWaalsContact C-CD2 3.47Å; R132-H138 PolarHBondContact O-CD2 3.17Å; R132-H138 VanDerWaalsContact O-CD2 3.23Å; S135-H138 WeakPolarHBondContact OG-CA 3.43Å; H138-P140 WeakPolarHBondContact NE2-CB 3.38Å; H138-P140 WeakPolarHBondContact NE2-CD 3.21Å; H138-K321 PolarHBondContact O-NZ 3.42Å
139	V	96.7	Very high	95.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.233	C	C	.	.			trans	-124.3	73.7	-177.9	-168	0	0	0	0	110.9	L106 M129 T130 Y131 V137 R314	L106-V139 HydrophobicContact CD1-CG1 4.26Å; L106-V139 HydrophobicContact CD2-CB 3.8Å; L106-V139 HydrophobicContact CD2-CG1 3.91Å; M129-V139 HydrophobicContact CE-CG2 3.68Å; M129-V139 HydrophobicContact CG-CG2 3.65Å; T130-V139 PolarHBondContact O-N 3.19Å; Y131-V139 WeakPolarHBondContact CA-O 3.4Å; V137-V139 HydrophobicContact CG1-CG2 4.07Å; V137-V139 WeakPolarHBondContact O-CG2 3.48Å; V137-V139 PolarHBondContact O-N 3.08Å; V139-R314 HydrophobicContact CG1-CG 3.68Å
140	P	95.5	Very high	95	Very high	19 Å²	19	51.9 Å²	51.9	12%	0.123	27%	0.269	C	S	.	.			trans	-69.5	157.9	179.4	29.8	-33.3	0	0	0	111.3	H138 G142 F143 R314	H138-P140 WeakPolarHBondContact NE2-CB 3.38Å; H138-P140 WeakPolarHBondContact NE2-CD 3.21Å; P140-G142 PolarHBondContact O-N 3.46Å; P140-F143 HydrophobicContact CG-CD1 4.49Å; P140-R314 WeakPolarHBondContact O-CG 3.46Å
141	Y	95.2	Very high	94.7	Very high	15 Å²	15	53.6 Å²	53.6	6%	0.059	28%	0.28	C	S	.	.	S	Bend	trans	-67.9	-23.5	177.4	-80.1	-114	0	0	0	113.8	L106 Y238 I239 T240 E241	L106-Y141 HydrophobicContact CB-CE2 4.1Å; L106-Y141 WeakPolarHBondContact O-CE2 3.49Å; L106-Y141 PolarHBondContact O-OH 2.74Å; Y141-Y238 HydrophobicContact CE2-CE2 4.34Å; Y141-I239 WeakPolarHBondContact CB-O 3.15Å; Y141-T240 HydrophobicContact CD1-CG2 4.37Å; Y141-T240 HydrophobicContact CD2-CG2 4.36Å; Y141-T240 HydrophobicContact CE1-CG2 4.17Å; Y141-T240 HydrophobicContact CE2-CG2 4.17Å; Y141-T240 VanDerWaalsContact CG-CA 3.49Å; Y141-T240 HydrophobicContact CG-CG2 4.48Å; Y141-E241 VanDerWaalsContact CD1-OE2 3.27Å; Y141-E241 WeakPolarHBondContact CD1-OE2 3.36Å; Y141-E241 WeakPolarHBondContact CE1-OE2 3.49Å
142	G	94.4	Very high	94.7	Very high	4 Å²	4	57.2 Å²	57.2	4%	0.041	30%	0.304	C	S	.	.			trans	-168.9	174.7	169	0	0	0	0	0	111.5	P140 F244 M309	P140-G142 PolarHBondContact O-N 3.46Å; G142-F244 VanDerWaalsContact C-CZ 3.49Å; G142-F244 VanDerWaalsContact N-CD2 3.34Å; G142-F244 VanDerWaalsContact N-CE2 3.34Å; G142-F244 WeakPolarHBondContact O-CE1 3.34Å; G142-F244 WeakPolarHBondContact O-CZ 3.33Å; G142-M309 CarbonylContact C-O 3.6Å; G142-M309 WeakPolarHBondContact CA-O 3.38Å
143	F	93.1	Very high	94.7	Very high	63 Å²	63	62.5 Å²	62.5	28%	0.276	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	159.2	177.5	58.8	-85	0	0	0	111.1	P140 K145 M309	P140-F143 HydrophobicContact CG-CD1 4.49Å; F143-K145 HydrophobicContact CE2-CB 4.35Å; F143-M309 HydrophobicContact CD1-CB 3.94Å; F143-M309 HydrophobicContact CD2-CB 3.95Å; F143-M309 HydrophobicContact CD2-CG 4Å; F143-M309 HydrophobicContact CE1-CB 3.6Å; F143-M309 HydrophobicContact CE1-CG 4.38Å; F143-M309 HydrophobicContact CE2-CB 3.63Å; F143-M309 HydrophobicContact CE2-CG 3.5Å; F143-M309 HydrophobicContact CG-CB 4.1Å; F143-M309 HydrophobicContact CZ-CB 3.44Å; F143-M309 VanDerWaalsContact CZ-CB 3.44Å; F143-M309 HydrophobicContact CZ-CG 3.73Å; F143-M309 PolarHBondContact N-O 2.66Å; F143-M309 PolarHBondContact O-N 2.83Å
144	F	93.8	Very high	94.7	Very high	34 Å²	34	62.6 Å²	62.6	15%	0.149	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.9	173.4	-66.9	-94.4	0	0	0	109.7	Y243 F244 L247 V265 L266 W302 Y306 D307 V308	F144-Y243 HydrophobicContact CE2-CE1 4.3Å; F144-Y243 HydrophobicContact CZ-CE1 4.48Å; F144-F244 HydrophobicContact CE2-CE1 4.44Å; F144-L247 HydrophobicContact CE1-CD1 4.17Å; F144-L247 HydrophobicContact CE2-CD1 4.37Å; F144-L247 HydrophobicContact CZ-CD1 3.61Å; F144-V265 HydrophobicContact CE2-CB 3.86Å; F144-V265 HydrophobicContact CE2-CG1 4.34Å; F144-L266 HydrophobicContact CB-CD1 4.3Å; F144-L266 HydrophobicContact CB-CG 4.48Å; F144-L266 HydrophobicContact CD1-CD1 3.42Å; F144-L266 VanDerWaalsContact CD1-CD1 3.42Å; F144-L266 HydrophobicContact CD1-CG 4Å; F144-L266 HydrophobicContact CD2-CD1 4.29Å; F144-L266 HydrophobicContact CD2-CG 3.94Å; F144-L266 HydrophobicContact CE1-CD1 3.7Å; F144-L266 HydrophobicContact CE1-CG 4.17Å; F144-L266 HydrophobicContact CE2-CG 4.16Å; F144-L266 HydrophobicContact CG-CD1 3.73Å; F144-L266 HydrophobicContact CG-CG 3.87Å; F144-L266 HydrophobicContact CZ-CB 4.43Å; F144-L266 HydrophobicContact CZ-CD1 4.25Å; F144-L266 HydrophobicContact CZ-CG 4.24Å; F144-W302 HydrophobicContact CD1-CD2 4.49Å; F144-W302 AromaticContact CD1-CE3 3.89Å; F144-W302 HydrophobicContact CD1-CE3 3.89Å; F144-W302 HydrophobicContact CD1-CZ3 4.13Å; F144-W302 AromaticContact CE1-CD2 3.83Å; F144-W302 HydrophobicContact CE1-CD2 3.83Å; F144-W302 AromaticContact CE1-CE3 3.56Å; F144-W302 HydrophobicContact CE1-CE3 3.56Å; F144-W302 HydrophobicContact CE1-CH2 4.14Å; F144-W302 HydrophobicContact CE1-CZ2 4.36Å; F144-W302 AromaticContact CE1-CZ3 3.75Å; F144-W302 HydrophobicContact CE1-CZ3 3.75Å; F144-Y306 HydrophobicContact CB-CD1 4.03Å; F144-Y306 HydrophobicContact CB-CG 4.23Å; F144-D307 CarbonylContact C-O 3.58Å; F144-D307 WeakPolarHBondContact CA-O 3.29Å; F144-V308 HydrophobicContact CD1-CG2 4Å; F144-V308 HydrophobicContact CE1-CG2 3.71Å; F144-V308 HydrophobicContact CZ-CG2 4.33Å
145	K	92.9	Very high	94.7	Very high	71 Å²	71	60.8 Å²	60.8	31%	0.309	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.7	175.1	-179.6	178.1	177.2	179.3	0	109.2	F143 K147 Y306 D307 M309	F143-K145 HydrophobicContact CE2-CB 4.35Å; K145-K147 PolarHBondContact O-N 2.81Å; K145-Y306 CarbonylContact O-C 3.48Å; K145-Y306 VanDerWaalsContact O-CA 3.23Å; K145-Y306 WeakPolarHBondContact O-CA 3.41Å; K145-D307 PolarHBondContact N-O 3.25Å; K145-D307 PolarHBondContact O-N 2.86Å; K145-M309 HydrophobicContact CB-CG 3.7Å; K145-M309 HydrophobicContact CB-SD 4.3Å; K145-M309 HydrophobicContact CD-CE 4.36Å; K145-M309 HydrophobicContact CD-CG 4.42Å; K145-M309 HydrophobicContact CD-SD 4.28Å
146	Q	95	Very high	94.6	Very high	145 Å²	145	63.7 Å²	63.7	68%	0.678	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	131.7	177.2	-169.1	174.3	1.6	0	0	111.1	H305 Y306	Q146-H305 CarbonylContact C-O 3.52Å; Q146-H305 WeakPolarHBondContact CA-O 3.33Å; Q146-Y306 HydrophobicContact CB-CD1 4.45Å; Q146-Y306 HydrophobicContact CB-CE1 4.39Å
147	K	93.7	Very high	94.6	Very high	62 Å²	62	66.9 Å²	66.9	27%	0.27	35%	0.352	S	S	.	.			trans	-66.8	139.7	174.2	-78.2	177.4	177.2	-67	0	110	K145 M303 H305 Y306 D307	K145-K147 PolarHBondContact O-N 2.81Å; K147-M303 WeakPolarHBondContact CE-O 3.42Å; K147-H305 PolarHBondContact N-O 2.9Å; K147-Y306 WeakPolarHBondContact CE-O 3.4Å; K147-D307 WeakPolarHBondContact CE-OD1 3.5Å; K147-D307 WeakPolarHBondContact CG-OD2 3.43Å; K147-D307 IonicContact NZ-OD1 3.97Å; K147-D307 PolarHBondContact NZ-OD1 3.16Å
148	V	92.1	Very high	94.5	Very high	138 Å²	138	70 Å²	70	84%	0.836	37%	0.368	S	S	*	.	S	Bend	trans	-84.6	-33.1	174.4	-178.9	0	0	0	0	111.4
149	K	91.4	Very high	94.4	Very high	169 Å²	169	68 Å²	68	74%	0.735	36%	0.36	S	S	*	.	S	Bend	trans	-114.2	139.4	-179	-64.6	-177.1	-178.5	179.6	0	110.1
150	P	89.7	Confident	94.4	Very high	114 Å²	114	73.3 Å²	73.3	74%	0.74	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-63.3	154.5	172.5	28.6	-34.4	0	0	0	110.7
151	P	92.5	Very high	94.5	Very high	36 Å²	36	78.6 Å²	78.6	23%	0.234	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-65.9	161.5	172.1	31.3	-36.6	0	0	0	111.2	F155 Q304	P151-F155 HydrophobicContact CB-CB 3.88Å; P151-F155 HydrophobicContact CB-CD1 4.32Å; P151-F155 HydrophobicContact CB-CD2 3.65Å; P151-F155 HydrophobicContact CB-CE2 4.28Å; P151-F155 HydrophobicContact CB-CG 3.68Å; P151-F155 HydrophobicContact CG-CB 4.37Å; P151-F155 HydrophobicContact CG-CD1 4.31Å; P151-F155 HydrophobicContact CG-CD2 4.47Å; P151-F155 HydrophobicContact CG-CG 4.12Å; P151-Q304 HydrophobicContact CG-CB 4.34Å; P151-Q304 HydrophobicContact CG-CG 4.37Å
152	P	94.8	Very high	94.5	Very high	81 Å²	81	81.4 Å²	81.4	53%	0.526	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-61.8	161.2	175.1	28.2	-35.6	0	0	0	111.9	T154 F155	P152-T154 PolarHBondContact O-N 2.84Å; P152-F155 HydrophobicContact CG-CB 4.4Å; P152-F155 WeakPolarHBondContact O-CB 3.24Å; P152-F155 PolarHBondContact O-N 2.87Å; P152-F155 VanDerWaalsContact O-N 3.12Å
153	S	94.9	Very high	94.5	Very high	119 Å²	119	81.2 Å²	81.2	83%	0.832	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.4	179.2	55.3	0	0	0	0	113.6	F155	S153-F155 PolarHBondContact O-N 2.93Å
154	T	96.1	Very high	94.7	Very high	65 Å²	65	81.1 Å²	81.1	40%	0.399	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0.4	177.7	59.3	0	0	0	0	113.7	P152 W156 E157 D158	P152-T154 PolarHBondContact O-N 2.84Å; T154-W156 VanDerWaalsContact C-N 3.3Å; T154-W156 PolarHBondContact O-N 3.27Å; T154-E157 VanDerWaalsContact CA-OE2 3.32Å; T154-E157 WeakPolarHBondContact CA-OE2 3.35Å; T154-E157 PolarHBondContact O-N 3.07Å; T154-D158 WeakPolarHBondContact CB-OD2 3.36Å; T154-D158 WeakPolarHBondContact O-CB 3.45Å; T154-D158 PolarHBondContact O-N 2.86Å; T154-D158 PolarHBondContact OG1-OD2 2.79Å
155	F	95.8	Very high	94.7	Very high	29 Å²	29	85 Å²	85	13%	0.127	45%	0.445	C	S	.	.	H	α-helix	trans	-53.4	-45	-168.4	174	-101.7	0	0	0	113.2	P151 P152 S153 L159 M303 Q304	P151-F155 HydrophobicContact CB-CB 3.88Å; P151-F155 HydrophobicContact CB-CD1 4.32Å; P151-F155 HydrophobicContact CB-CD2 3.65Å; P151-F155 HydrophobicContact CB-CE2 4.28Å; P151-F155 HydrophobicContact CB-CG 3.68Å; P151-F155 HydrophobicContact CG-CB 4.37Å; P151-F155 HydrophobicContact CG-CD1 4.31Å; P151-F155 HydrophobicContact CG-CD2 4.47Å; P151-F155 HydrophobicContact CG-CG 4.12Å; P152-F155 HydrophobicContact CG-CB 4.4Å; P152-F155 WeakPolarHBondContact O-CB 3.24Å; P152-F155 PolarHBondContact O-N 2.87Å; P152-F155 VanDerWaalsContact O-N 3.12Å; S153-F155 PolarHBondContact O-N 2.93Å; F155-L159 HydrophobicContact CE1-CD1 3.87Å; F155-L159 HydrophobicContact CE1-CG 4.33Å; F155-L159 HydrophobicContact CE2-CD1 4.28Å; F155-L159 HydrophobicContact CE2-CD2 4.3Å; F155-L159 HydrophobicContact CE2-CG 4.3Å; F155-L159 HydrophobicContact CZ-CD1 3.65Å; F155-L159 HydrophobicContact CZ-CD2 4.48Å; F155-L159 HydrophobicContact CZ-CG 4.11Å; F155-L159 VanDerWaalsContact O-CG 3.29Å; F155-L159 WeakPolarHBondContact O-CG 3.42Å; F155-L159 PolarHBondContact O-N 3.49Å; F155-L159 VanDerWaalsContact O-N 3.08Å; F155-M303 HydrophobicContact CE2-CB 4.45Å; F155-M303 HydrophobicContact CZ-CB 3.69Å; F155-Q304 HydrophobicContact CD1-CG 4.08Å; F155-Q304 HydrophobicContact CE1-CG 3.65Å; F155-Q304 HydrophobicContact CZ-CG 4.47Å
156	W	96.2	Very high	94.9	Very high	71 Å²	71	82 Å²	82	27%	0.269	43%	0.433	S	S	.	.	H	α-helix	trans	-75.6	-36	-176.8	-75.5	114.3	0	0	0	112.9	T154 L159 R160 L297 K301 Q304	T154-W156 VanDerWaalsContact C-N 3.3Å; T154-W156 PolarHBondContact O-N 3.27Å; W156-L159 HydrophobicContact CE3-CD1 4.37Å; W156-L159 HydrophobicContact CZ3-CD1 4.3Å; W156-L159 PolarHBondContact O-N 3.06Å; W156-R160 WeakPolarHBondContact O-CB 3.46Å; W156-R160 PolarHBondContact O-N 2.9Å; W156-L297 HydrophobicContact CZ3-CB 4.14Å; W156-K301 HydrophobicContact CH2-CB 4.33Å; W156-K301 HydrophobicContact CH2-CG 3.65Å; W156-K301 HydrophobicContact CZ2-CG 4.03Å; W156-Q304 VanDerWaalsContact CZ2-CD 3.45Å; W156-Q304 HydrophobicContact CZ2-CG 3.88Å
157	E	96.7	Very high	94.9	Very high	118 Å²	118	85.2 Å²	85.2	55%	0.551	44%	0.438	S	S	*	.	H	α-helix	trans	-62	-47.1	173.5	-64.4	74.4	-165.5	0	0	110.2	T154 L159 R160 E161	T154-E157 VanDerWaalsContact CA-OE2 3.32Å; T154-E157 WeakPolarHBondContact CA-OE2 3.35Å; T154-E157 PolarHBondContact O-N 3.07Å; E157-L159 VanDerWaalsContact C-N 3.34Å; E157-L159 PolarHBondContact O-N 3.07Å; E157-R160 PolarHBondContact O-N 3.35Å; E157-R160 VanDerWaalsContact O-N 3.15Å; E157-E161 PolarHBondContact O-N 3.29Å
158	D	96.1	Very high	95	Very high	65 Å²	65	85.5 Å²	85.5	35%	0.348	44%	0.44	S	S	.	.	H	α-helix	trans	-62.1	-40.4	178.4	-63.6	-24.9	0	0	0	111.6	T154 Q162	T154-D158 WeakPolarHBondContact CB-OD2 3.36Å; T154-D158 WeakPolarHBondContact O-CB 3.45Å; T154-D158 PolarHBondContact O-N 2.86Å; T154-D158 PolarHBondContact OG1-OD2 2.79Å; D158-Q162 WeakPolarHBondContact O-CB 3.39Å; D158-Q162 VanDerWaalsContact O-CG 3.29Å; D158-Q162 WeakPolarHBondContact O-CG 3.32Å; D158-Q162 PolarHBondContact O-N 3.4Å; D158-Q162 PolarHBondContact O-NE2 3.4Å
159	L	95.9	Very high	95.3	Very high	11 Å²	11	80.8 Å²	80.8	6%	0.058	41%	0.409	C	S	.	.	H	α-helix	trans	-66.4	-42.8	174.9	-68	-155.1	0	0	0	111.3	F155 W156 E157 Q162 V163 L250 L297 F300 M303	F155-L159 HydrophobicContact CE1-CD1 3.87Å; F155-L159 HydrophobicContact CE1-CG 4.33Å; F155-L159 HydrophobicContact CE2-CD1 4.28Å; F155-L159 HydrophobicContact CE2-CD2 4.3Å; F155-L159 HydrophobicContact CE2-CG 4.3Å; F155-L159 HydrophobicContact CZ-CD1 3.65Å; F155-L159 HydrophobicContact CZ-CD2 4.48Å; F155-L159 HydrophobicContact CZ-CG 4.11Å; F155-L159 VanDerWaalsContact O-CG 3.29Å; F155-L159 WeakPolarHBondContact O-CG 3.42Å; F155-L159 PolarHBondContact O-N 3.49Å; F155-L159 VanDerWaalsContact O-N 3.08Å; W156-L159 HydrophobicContact CE3-CD1 4.37Å; W156-L159 HydrophobicContact CZ3-CD1 4.3Å; W156-L159 PolarHBondContact O-N 3.06Å; E157-L159 VanDerWaalsContact C-N 3.34Å; E157-L159 PolarHBondContact O-N 3.07Å; L159-Q162 PolarHBondContact O-N 3.48Å; L159-V163 WeakPolarHBondContact O-CB 3.44Å; L159-V163 VanDerWaalsContact O-CG2 3.29Å; L159-V163 WeakPolarHBondContact O-CG2 3.36Å; L159-V163 PolarHBondContact O-N 3.29Å; L159-L250 HydrophobicContact CD1-CD2 3.94Å; L159-L250 HydrophobicContact CD2-CD1 3.82Å; L159-L250 HydrophobicContact CD2-CD2 3.65Å; L159-L250 HydrophobicContact CD2-CG 4.3Å; L159-L250 HydrophobicContact CG-CD2 4.29Å; L159-L297 HydrophobicContact CB-CD2 3.98Å; L159-F300 HydrophobicContact CD1-CB 4.21Å; L159-M303 HydrophobicContact CD1-SD 4.32Å
160	R	97.3	Very high	95.6	Very high	110 Å²	110	72.8 Å²	72.8	42%	0.415	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-43.7	-179.3	-174.2	178.6	-63.5	-82.8	-1.4	111.5	W156 E157 V163 A164 T293 D294 L297	W156-R160 WeakPolarHBondContact O-CB 3.46Å; W156-R160 PolarHBondContact O-N 2.9Å; E157-R160 PolarHBondContact O-N 3.35Å; E157-R160 VanDerWaalsContact O-N 3.15Å; R160-V163 PolarHBondContact O-N 3.34Å; R160-A164 WeakPolarHBondContact O-CB 3.27Å; R160-A164 PolarHBondContact O-N 2.92Å; R160-T293 HydrophobicContact CG-CG2 4.12Å; R160-D294 IonicContact CZ-OD1 3.94Å; R160-D294 IonicContact NH1-OD1 3.83Å; R160-D294 PolarHBondContact NH1-OD1 2.99Å; R160-D294 IonicContact NH2-OD1 2.63Å; R160-D294 PolarHBondContact NH2-OD1 2.68Å; R160-L297 HydrophobicContact CB-CD1 4.2Å
161	E	96.3	Very high	95.9	Very high	131 Å²	131	67.3 Å²	67.3	61%	0.612	34%	0.34	S	S	*	.	H	α-helix	trans	-61.9	-46.9	176	-173.8	178.6	-179.2	0	0	111.3	E157 V163 A164 M165	E157-E161 PolarHBondContact O-N 3.29Å; E161-V163 VanDerWaalsContact C-N 3.33Å; E161-V163 PolarHBondContact O-N 3.01Å; E161-A164 PolarHBondContact O-N 2.65Å; E161-M165 PolarHBondContact O-N 3.05Å
162	Q	95	Very high	96	Very high	73 Å²	73	65.8 Å²	65.8	34%	0.341	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-39.8	177.2	-74.6	174.8	79.2	0	0	113	D158 L159 M165 L250	D158-Q162 WeakPolarHBondContact O-CB 3.39Å; D158-Q162 VanDerWaalsContact O-CG 3.29Å; D158-Q162 WeakPolarHBondContact O-CG 3.32Å; D158-Q162 PolarHBondContact O-N 3.4Å; D158-Q162 PolarHBondContact O-NE2 3.4Å; L159-Q162 PolarHBondContact O-N 3.48Å; Q162-M165 HydrophobicContact CB-CE 4.44Å; Q162-M165 HydrophobicContact CG-CE 4.17Å; Q162-M165 PolarHBondContact O-N 2.9Å; Q162-L250 HydrophobicContact CB-CD1 3.56Å; Q162-L250 HydrophobicContact CG-CD1 4.35Å
163	V	96.2	Very high	95.8	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68	-37.5	176.7	171.2	0	0	0	0	111.6	L159 R160 E161 M165 K166 L250 T293 Y296 L297	L159-V163 WeakPolarHBondContact O-CB 3.44Å; L159-V163 VanDerWaalsContact O-CG2 3.29Å; L159-V163 WeakPolarHBondContact O-CG2 3.36Å; L159-V163 PolarHBondContact O-N 3.29Å; R160-V163 PolarHBondContact O-N 3.34Å; E161-V163 VanDerWaalsContact C-N 3.33Å; E161-V163 PolarHBondContact O-N 3.01Å; V163-M165 PolarHBondContact O-N 2.74Å; V163-K166 WeakPolarHBondContact O-CB 3.41Å; V163-K166 PolarHBondContact O-N 3Å; V163-K166 VanDerWaalsContact O-N 3.17Å; V163-L250 HydrophobicContact CG2-CB 4.37Å; V163-L250 HydrophobicContact CG2-CD1 4.38Å; V163-T293 HydrophobicContact CG1-CG2 4.27Å; V163-Y296 HydrophobicContact CB-CD1 4.49Å; V163-Y296 HydrophobicContact CB-CE1 4.36Å; V163-Y296 HydrophobicContact CG1-CD1 3.66Å; V163-Y296 HydrophobicContact CG1-CE1 3.74Å; V163-Y296 HydrophobicContact CG1-CG 4.49Å; V163-Y296 HydrophobicContact CG2-CD1 3.97Å; V163-Y296 HydrophobicContact CG2-CE1 3.58Å; V163-L297 HydrophobicContact CG2-CD2 4.02Å
164	A	95.2	Very high	95.6	Very high	62 Å²	62	57.5 Å²	57.5	51%	0.512	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-25.1	178.7	0	0	0	0	0	113.4	R160 E161 K166	R160-A164 WeakPolarHBondContact O-CB 3.27Å; R160-A164 PolarHBondContact O-N 2.92Å; E161-A164 PolarHBondContact O-N 2.65Å; A164-K166 VanDerWaalsContact C-N 3.35Å
165	M	95.4	Very high	95.3	Very high	114 Å²	114	56.2 Å²	56.2	56%	0.562	26%	0.264	S	S	*	.	H	α-helix	trans	-74.4	-21.8	175.8	-69	-169.4	-74.6	0	0	113.8	E161 Q162 V163 R167	E161-M165 PolarHBondContact O-N 3.05Å; Q162-M165 HydrophobicContact CB-CE 4.44Å; Q162-M165 HydrophobicContact CG-CE 4.17Å; Q162-M165 PolarHBondContact O-N 2.9Å; V163-M165 PolarHBondContact O-N 2.74Å; M165-R167 PolarHBondContact O-N 2.62Å
166	K	96.1	Very high	95.1	Very high	10 Å²	10	57.7 Å²	57.7	4%	0.043	27%	0.273	C	S	.	.			trans	-73.1	124	-177.8	-64.8	164.7	179.9	-75.1	0	110.3	V163 A164 K221 Y224 K225 D249 L250	V163-K166 WeakPolarHBondContact O-CB 3.41Å; V163-K166 PolarHBondContact O-N 3Å; V163-K166 VanDerWaalsContact O-N 3.17Å; A164-K166 VanDerWaalsContact C-N 3.35Å; K166-K221 PolarHBondContact NZ-O 2.99Å; K166-Y224 VanDerWaalsContact CD-O 3.27Å; K166-Y224 WeakPolarHBondContact CD-O 3.48Å; K166-Y224 PolarHBondContact NZ-O 2.99Å; K166-K225 HydrophobicContact CB-CG 3.96Å; K166-K225 HydrophobicContact CD-CG 4.11Å; K166-D249 PolarHBondContact NZ-O 2.77Å; K166-L250 WeakPolarHBondContact CE-O 3.42Å; K166-L250 PolarHBondContact NZ-O 2.8Å
167	R	94.9	Very high	95	Very high	211 Å²	211	57.8 Å²	57.8	80%	0.796	28%	0.283	S	S	*	.			trans	-108	-11.9	-176.6	-61.1	-57.9	-175.9	175.5	-1.7	114.7	M165 N223	M165-R167 PolarHBondContact O-N 2.62Å; R167-N223 PolarHBondContact N-O 3.05Å; R167-N223 VanDerWaalsContact N-O 3.16Å
168	K	96.9	Very high	95	Very high	69 Å²	69	55.4 Å²	55.4	30%	0.3	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	151.9	-177.1	-61.3	-171.6	161	-141.7	0	111.1	D197 N223 Y224 K225	K168-D197 WeakPolarHBondContact CD-OD2 3.33Å; K168-D197 IonicContact NZ-OD1 3.24Å; K168-D197 IonicContact NZ-OD2 3.8Å; K168-D197 PolarHBondContact NZ-OD2 2.84Å; K168-N223 WeakPolarHBondContact CA-O 3.21Å; K168-N223 WeakPolarHBondContact CB-O 3.49Å; K168-N223 HydrophobicContact CD-CB 4.18Å; K168-N223 HydrophobicContact CG-CB 4.36Å; K168-N223 PolarHBondContact N-O 3.48Å; K168-Y224 HydrophobicContact CB-CD1 3.48Å; K168-Y224 VanDerWaalsContact CB-CD1 3.48Å; K168-Y224 HydrophobicContact CB-CD2 4.47Å; K168-Y224 HydrophobicContact CB-CE1 3.5Å; K168-Y224 HydrophobicContact CB-CG 4.02Å; K168-Y224 HydrophobicContact CD-CD1 4.32Å; K168-Y224 HydrophobicContact CD-CE1 3.58Å; K168-Y224 HydrophobicContact CD-CE2 3.86Å; K168-Y224 VanDerWaalsContact CD-OH 3.32Å; K168-Y224 WeakPolarHBondContact CD-OH 3.49Å; K168-Y224 HydrophobicContact CG-CE1 4.21Å; K168-Y224 PolarHBondContact NZ-OH 2.92Å; K168-Y224 WeakPolarHBondContact O-CA 3.49Å; K168-K225 PolarHBondContact O-N 3.3Å; K168-K225 VanDerWaalsContact O-N 3.11Å
169	L	97.2	Very high	95	Very high	38 Å²	38	52.5 Å²	52.5	20%	0.199	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-77.4	-175.9	-59.8	-179.6	0	0	0	110.9	I194 K225 F226 D290	L169-I194 HydrophobicContact CB-CD1 4.3Å; L169-I194 HydrophobicContact CD1-CD1 3.89Å; L169-I194 HydrophobicContact CD1-CG1 3.92Å; L169-K225 PolarHBondContact O-N 3.48Å; L169-F226 HydrophobicContact CB-CD2 4.42Å; L169-F226 HydrophobicContact CD2-CE2 4.42Å; L169-F226 WeakPolarHBondContact O-CD2 2.87Å; L169-F226 PolarHBondContact O-N 3.48Å; L169-D290 HydrophobicContact CD2-CB 3.61Å; L169-D290 WeakPolarHBondContact CD2-OD1 3.36Å
170	V	98.2	Very high	95	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.3	-165.8	-169	0	0	0	0	111.7	I194 V196 D197 F226 I228 I254 L286	V170-I194 HydrophobicContact CG2-CD1 3.86Å; V170-I194 HydrophobicContact CG2-CG1 4.27Å; V170-I194 HydrophobicContact CG2-CG2 4.46Å; V170-V196 HydrophobicContact CB-CG2 4.15Å; V170-V196 HydrophobicContact CG1-CG1 4.14Å; V170-V196 HydrophobicContact CG1-CG2 4.14Å; V170-D197 PolarHBondContact O-N 2.63Å; V170-F226 WeakPolarHBondContact CA-O 3.42Å; V170-F226 HydrophobicContact CG2-CB 4.18Å; V170-F226 HydrophobicContact CG2-CD2 4.26Å; V170-I228 HydrophobicContact CG1-CD1 3.76Å; V170-I228 HydrophobicContact CG1-CG1 3.54Å; V170-I254 HydrophobicContact CG1-CD1 4.2Å; V170-L286 HydrophobicContact CG2-CD1 3.98Å
171	A	95.6	Very high	95	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143.8	169	0	0	0	0	0	111.4	F173 I220 Y224 F226 Y227 I228	A171-F173 HydrophobicContact CB-CE2 4.46Å; A171-I220 HydrophobicContact CB-CG1 4.37Å; A171-Y224 HydrophobicContact CB-CD1 3.6Å; A171-Y224 HydrophobicContact CB-CD2 3.99Å; A171-Y224 HydrophobicContact CB-CE1 3.8Å; A171-Y224 HydrophobicContact CB-CE2 4.16Å; A171-Y224 HydrophobicContact CB-CG 3.68Å; A171-F226 PolarHBondContact N-O 2.75Å; A171-Y227 HydrophobicContact CB-CD2 4.28Å; A171-Y227 WeakPolarHBondContact O-CA 3.3Å; A171-I228 PolarHBondContact O-N 3.14Å
172	W	94.8	Very high	95.1	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	118	171.3	-174.4	39.3	0	0	0	111.5	V174 R183 E184 V187 V196 D197 E198 Y199 I228	W172-V174 HydrophobicContact CD2-CB 4.02Å; W172-V174 HydrophobicContact CD2-CG1 3.74Å; W172-V174 HydrophobicContact CE3-CB 4.38Å; W172-V174 HydrophobicContact CE3-CG1 3.69Å; W172-V174 HydrophobicContact CG-CG1 4.39Å; W172-V174 HydrophobicContact CH2-CB 4.16Å; W172-V174 HydrophobicContact CH2-CG1 4.04Å; W172-V174 HydrophobicContact CH2-CG2 3.9Å; W172-V174 HydrophobicContact CZ2-CB 3.76Å; W172-V174 HydrophobicContact CZ2-CG1 4.07Å; W172-V174 HydrophobicContact CZ2-CG2 3.66Å; W172-V174 HydrophobicContact CZ3-CB 4.47Å; W172-V174 HydrophobicContact CZ3-CG1 3.87Å; W172-R183 HydrophobicContact CZ2-CG 4.19Å; W172-E184 HydrophobicContact CH2-CB 4.13Å; W172-V187 HydrophobicContact CD2-CB 4.43Å; W172-V187 HydrophobicContact CD2-CG1 4.09Å; W172-V187 HydrophobicContact CD2-CG2 4.01Å; W172-V187 HydrophobicContact CE3-CB 4Å; W172-V187 HydrophobicContact CE3-CG1 3.48Å; W172-V187 VanDerWaalsContact CE3-CG1 3.48Å; W172-V187 HydrophobicContact CE3-CG2 4.09Å; W172-V187 HydrophobicContact CH2-CB 4.1Å; W172-V187 HydrophobicContact CH2-CG1 4.45Å; W172-V187 HydrophobicContact CH2-CG2 4.14Å; W172-V187 HydrophobicContact CZ2-CG2 4.06Å; W172-V187 HydrophobicContact CZ3-CB 3.79Å; W172-V187 HydrophobicContact CZ3-CG1 3.67Å; W172-V187 HydrophobicContact CZ3-CG2 4.13Å; W172-V196 HydrophobicContact CB-CG1 3.94Å; W172-D197 PolarHBondContact N-O 3.28Å; W172-E198 HydrophobicContact CE3-CG 4Å; W172-E198 VanDerWaalsContact CE3-OE2 3.26Å; W172-E198 HydrophobicContact CZ3-CG 4.49Å; W172-E198 WeakPolarHBondContact CZ3-OE2 3.43Å; W172-E198 WeakPolarHBondContact O-CA 3.12Å; W172-Y199 PolarHBondContact O-N 2.88Å; W172-I228 HydrophobicContact CB-CB 4.07Å; W172-I228 HydrophobicContact CB-CD1 4.14Å; W172-I228 HydrophobicContact CB-CG1 4.38Å; W172-I228 HydrophobicContact CG-CB 3.97Å; W172-I228 HydrophobicContact CG-CD1 4.34Å; W172-I228 HydrophobicContact CG-CG2 4.16Å
173	F	91	Very high	95.2	Very high	23 Å²	23	42.9 Å²	42.9	10%	0.101	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.2	175.8	-80.2	-109.9	0	0	0	110.1	A171 Y199 C208 L216 V219 I220 Y227	A171-F173 HydrophobicContact CB-CE2 4.46Å; F173-Y199 WeakPolarHBondContact CA-O 3.3Å; F173-Y199 VanDerWaalsContact CD1-CB 3.41Å; F173-Y199 HydrophobicContact CD1-CG 4.31Å; F173-Y199 AromaticContact CD2-CD2 4Å; F173-Y199 HydrophobicContact CD2-CD2 4Å; F173-Y199 HydrophobicContact CD2-CG 4.23Å; F173-Y199 HydrophobicContact CE1-CD1 4.29Å; F173-Y199 HydrophobicContact CE1-CD2 4.41Å; F173-Y199 AromaticContact CE1-CG 3.79Å; F173-Y199 HydrophobicContact CE1-CG 3.79Å; F173-Y199 AromaticContact CE2-CD2 3.45Å; F173-Y199 HydrophobicContact CE2-CD2 3.45Å; F173-Y199 VanDerWaalsContact CE2-CD2 3.45Å; F173-Y199 HydrophobicContact CE2-CE2 4.16Å; F173-Y199 AromaticContact CE2-CG 3.7Å; F173-Y199 HydrophobicContact CE2-CG 3.7Å; F173-Y199 AromaticContact CZ-CD1 3.99Å; F173-Y199 HydrophobicContact CZ-CD1 3.99Å; F173-Y199 AromaticContact CZ-CD2 3.71Å; F173-Y199 HydrophobicContact CZ-CD2 3.71Å; F173-Y199 HydrophobicContact CZ-CE2 4.4Å; F173-Y199 AromaticContact CZ-CG 3.47Å; F173-Y199 HydrophobicContact CZ-CG 3.47Å; F173-Y199 VanDerWaalsContact CZ-CG 3.47Å; F173-C208 HydrophobicContact CE1-CB 3.99Å; F173-L216 HydrophobicContact CB-CD2 3.84Å; F173-L216 HydrophobicContact CD1-CD1 4.33Å; F173-L216 HydrophobicContact CD1-CD2 3.15Å; F173-L216 HydrophobicContact CD1-CG 3.5Å; F173-L216 HydrophobicContact CD2-CD2 3.78Å; F173-L216 HydrophobicContact CE1-CB 4.28Å; F173-L216 HydrophobicContact CE1-CD2 3.47Å; F173-L216 VanDerWaalsContact CE1-CD2 3.47Å; F173-L216 HydrophobicContact CE1-CG 3.44Å; F173-L216 VanDerWaalsContact CE1-CG 3.44Å; F173-L216 HydrophobicContact CE2-CD2 4.06Å; F173-L216 HydrophobicContact CG-CD2 3.29Å; F173-L216 HydrophobicContact CG-CG 4.18Å; F173-L216 HydrophobicContact CZ-CD2 3.9Å; F173-L216 HydrophobicContact CZ-CG 4.08Å; F173-V219 HydrophobicContact CZ-CB 4.45Å; F173-V219 HydrophobicContact CZ-CG1 4.34Å; F173-I220 HydrophobicContact CD2-CD1 3.72Å; F173-I220 HydrophobicContact CD2-CG1 4.18Å; F173-I220 HydrophobicContact CE2-CD1 3.48Å; F173-I220 VanDerWaalsContact CE2-CD1 3.48Å; F173-I220 HydrophobicContact CE2-CG1 3.46Å; F173-I220 VanDerWaalsContact CE2-CG1 3.46Å; F173-I220 HydrophobicContact CZ-CD1 4.18Å; F173-I220 HydrophobicContact CZ-CG1 4.07Å; F173-Y227 HydrophobicContact CB-CE2 4.17Å; F173-Y227 AromaticContact CD2-CE2 3.88Å; F173-Y227 HydrophobicContact CD2-CE2 3.88Å; F173-Y227 HydrophobicContact CG-CE2 4.42Å
174	V	91.2	Very high	95.2	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	24%	0.24	C	C	.	.			trans	-140.3	121.1	-168.7	48.7	0	0	0	0	110.8	W172 N176 E198 Y199 G200 L201 C202	W172-V174 HydrophobicContact CD2-CB 4.02Å; W172-V174 HydrophobicContact CD2-CG1 3.74Å; W172-V174 HydrophobicContact CE3-CB 4.38Å; W172-V174 HydrophobicContact CE3-CG1 3.69Å; W172-V174 HydrophobicContact CG-CG1 4.39Å; W172-V174 HydrophobicContact CH2-CB 4.16Å; W172-V174 HydrophobicContact CH2-CG1 4.04Å; W172-V174 HydrophobicContact CH2-CG2 3.9Å; W172-V174 HydrophobicContact CZ2-CB 3.76Å; W172-V174 HydrophobicContact CZ2-CG1 4.07Å; W172-V174 HydrophobicContact CZ2-CG2 3.66Å; W172-V174 HydrophobicContact CZ3-CB 4.47Å; W172-V174 HydrophobicContact CZ3-CG1 3.87Å; V174-N176 VanDerWaalsContact CG2-O 3.3Å; V174-N176 WeakPolarHBondContact CG2-O 3.47Å; V174-E198 HydrophobicContact CG1-CG 3.54Å; V174-Y199 PolarHBondContact N-O 3.24Å; V174-G200 CarbonylContact O-C 3.41Å; V174-L201 PolarHBondContact O-N 3.27Å; V174-L201 VanDerWaalsContact O-N 3.16Å; V174-C202 HydrophobicContact CB-CB 4.42Å; V174-C202 HydrophobicContact CG1-CB 3.96Å; V174-C202 HydrophobicContact CG2-CB 3.87Å; V174-C202 VanDerWaalsContact CG2-SG 3.56Å; V174-C202 PolarHBondContact O-N 2.72Å; V174-C202 VanDerWaalsContact O-N 3.16Å
175	S	90.1	Very high	95.2	Very high	39 Å²	39	43.6 Å²	43.6	27%	0.273	23%	0.228	S	C	.	.	S	Bend	trans	-121.7	-9.4	175.3	-62.8	0	0	0	0	113.9	C202	S175-C202 VanDerWaalsContact C-SG 3.6Å
176	N	91.5	Very high	95.3	Very high	60 Å²	60	38.2 Å²	38.2	32%	0.321	20%	0.201	S	C	.	.			trans	-109.1	113.2	165.7	-172.1	-3.4	0	0	0	108.3	V174 A178 T179 R183 C202	V174-N176 VanDerWaalsContact CG2-O 3.3Å; V174-N176 WeakPolarHBondContact CG2-O 3.47Å; N176-A178 PolarHBondContact OD1-N 3.12Å; N176-A178 PolarHBondContact OD1-O 3.33Å; N176-T179 HydrophobicContact CB-CG2 4.02Å; N176-R183 PolarHBondContact O-NH2 3.19Å; N176-C202 VanDerWaalsContact C-SG 3.56Å
177	C	93.5	Very high	95.4	Very high	72 Å²	72	37.7 Å²	37.7	49%	0.486	20%	0.199	S	C	.	.	S	Bend	trans	-93.5	-7.5	-167.3	-39.5	0	0	0	0	113.5	C202	C177-C202 WeakPolarHBondContact CA-SG 3.27Å; C177-C202 HydrophobicContact CB-CB 3.87Å; C177-C202 WeakPolarHBondContact CB-SG 3.45Å; C177-C202 PolarHBondContact N-SG 3.09Å; C177-C202 VanDerWaalsContact SG-CA 3.51Å; C177-C202 WeakPolarHBondContact SG-CB 3.35Å; C177-C202 CovalentContact SG-SG 2.03Å; C177-C202 PolarHBondContact SG-SG 3.13Å
178	A	95.6	Very high	95.5	Very high	69 Å²	69	33.6 Å²	33.6	57%	0.57	19%	0.189	S	C	*	.	S	Bend	trans	-142.7	109.7	175.1	0	0	0	0	0	107.7	N176	N176-A178 PolarHBondContact OD1-N 3.12Å; N176-A178 PolarHBondContact OD1-O 3.33Å
179	T	96.9	Very high	95.5	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.025	18%	0.181	C	C	.	.			trans	-119	154.5	-174.9	67	0	0	0	0	111.9	N176 S181 K182 R183 E184 N232	N176-T179 HydrophobicContact CB-CG2 4.02Å; T179-S181 PolarHBondContact O-N 3.22Å; T179-S181 PolarHBondContact OG1-OG 3.34Å; T179-K182 PolarHBondContact O-N 3.47Å; T179-R183 HydrophobicContact CG2-CG 4.44Å; T179-R183 WeakPolarHBondContact OG1-CG 2.92Å; T179-E184 PolarHBondContact N-OE2 3.26Å; T179-E184 PolarHBondContact OG1-OE2 3.19Å; T179-N232 WeakPolarHBondContact CB-O 3.32Å; T179-N232 HydrophobicContact CG2-CB 4.12Å
180	P	96.7	Very high	95.6	Very high	35 Å²	35	29.6 Å²	29.6	23%	0.227	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-37	170.3	-27.9	35	0	0	0	112.5	Y110 K182 N232 S357	Y110-P180 HydrophobicContact CD1-CB 4.15Å; Y110-P180 HydrophobicContact CD1-CG 4.22Å; Y110-P180 HydrophobicContact CD2-CB 3.92Å; Y110-P180 HydrophobicContact CD2-CG 4.17Å; Y110-P180 HydrophobicContact CE1-CB 4.17Å; Y110-P180 HydrophobicContact CE2-CB 3.92Å; Y110-P180 HydrophobicContact CG-CB 4.02Å; Y110-P180 HydrophobicContact CG-CG 3.92Å; P180-K182 PolarHBondContact O-N 3.12Å; P180-N232 WeakPolarHBondContact CD-O 3.37Å; P180-S357 PolarHBondContact O-N 2.81Å
181	S	97.2	Very high	95.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-13	177	62.4	0	0	0	0	115.4	T179 R183 E231 N232 Y358 G359	T179-S181 PolarHBondContact O-N 3.22Å; T179-S181 PolarHBondContact OG1-OG 3.34Å; S181-R183 PolarHBondContact O-N 3.49Å; S181-E231 WeakPolarHBondContact CB-O 3.1Å; S181-E231 PolarHBondContact OG-O 2.96Å; S181-N232 WeakPolarHBondContact CB-O 3.27Å; S181-N232 PolarHBondContact N-O 3.02Å; S181-N232 VanDerWaalsContact N-O 3.07Å; S181-N232 PolarHBondContact OG-O 2.8Å; S181-Y358 PolarHBondContact O-N 3.28Å; S181-G359 WeakPolarHBondContact O-CA 3.37Å; S181-G359 PolarHBondContact O-N 3.44Å
182	K	97.2	Very high	95.7	Very high	83 Å²	83	39.7 Å²	39.7	36%	0.361	22%	0.215	S	C	.	.			trans	52.5	34.7	-173.1	-58	-63.3	-179.7	-175.6	0	113.7	T179 P180 E184 A185	T179-K182 PolarHBondContact O-N 3.47Å; P180-K182 PolarHBondContact O-N 3.12Å; K182-E184 PolarHBondContact O-N 2.92Å; K182-A185 HydrophobicContact CB-CB 4.49Å; K182-A185 WeakPolarHBondContact O-CB 3.35Å; K182-A185 PolarHBondContact O-N 3.12Å
183	R	97	Very high	95.8	Very high	5 Å²	5	44.2 Å²	44.2	2%	0.019	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-28.3	-177.3	70.9	-168.3	-177.3	115	11.4	113.7	W172 N176 T179 S181 A185 Y186 V187 F230 E231 N232 F256	W172-R183 HydrophobicContact CZ2-CG 4.19Å; N176-R183 PolarHBondContact O-NH2 3.19Å; T179-R183 HydrophobicContact CG2-CG 4.44Å; T179-R183 WeakPolarHBondContact OG1-CG 2.92Å; S181-R183 PolarHBondContact O-N 3.49Å; R183-A185 VanDerWaalsContact C-N 3.28Å; R183-A185 PolarHBondContact O-N 3.38Å; R183-Y186 PolarHBondContact O-N 2.86Å; R183-V187 WeakPolarHBondContact O-CG2 3.31Å; R183-V187 PolarHBondContact O-N 3.27Å; R183-V187 VanDerWaalsContact O-N 3.14Å; R183-F230 HydrophobicContact CB-CB 3.8Å; R183-F230 HydrophobicContact CB-CD2 3.98Å; R183-F230 HydrophobicContact CB-CG 4.31Å; R183-F230 HydrophobicContact CG-CB 4.38Å; R183-F230 PolarHBondContact NH1-O 2.86Å; R183-E231 WeakPolarHBondContact CD-O 3.27Å; R183-N232 PolarHBondContact NE-OD1 3.07Å; R183-F256 HydrophobicContact CB-CE2 3.76Å; R183-F256 HydrophobicContact CB-CZ 3.49Å; R183-F256 VanDerWaalsContact CB-CZ 3.49Å
184	E	96.3	Very high	96.2	Very high	46 Å²	46	43.6 Å²	43.6	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-35.6	172.8	65.5	-78	-177.3	0	0	112.8	W172 T179 K182 H188	W172-E184 HydrophobicContact CH2-CB 4.13Å; T179-E184 PolarHBondContact N-OE2 3.26Å; T179-E184 PolarHBondContact OG1-OE2 3.19Å; K182-E184 PolarHBondContact O-N 2.92Å; E184-H188 WeakPolarHBondContact O-CB 3.35Å; E184-H188 PolarHBondContact O-N 3.22Å
185	A	96	Very high	96.5	Very high	31 Å²	31	50 Å²	50	26%	0.256	26%	0.26	S	S	.	.	H	α-helix	trans	-68.7	-43.9	178.3	0	0	0	0	0	110.9	K182 R183 V187 H188 V189	K182-A185 HydrophobicContact CB-CB 4.49Å; K182-A185 WeakPolarHBondContact O-CB 3.35Å; K182-A185 PolarHBondContact O-N 3.12Å; R183-A185 VanDerWaalsContact C-N 3.28Å; R183-A185 PolarHBondContact O-N 3.38Å; A185-V187 PolarHBondContact O-N 2.56Å; A185-H188 WeakPolarHBondContact O-CB 3.5Å; A185-H188 PolarHBondContact O-N 2.8Å; A185-V189 PolarHBondContact O-N 2.72Å
186	Y	98.2	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.3	-49.1	175.4	-165.4	-76.4	0	0	0	111.6	R183 H188 V189 L190 F230 F256 V273 P279 L282 G359 V362 H363 L365	R183-Y186 PolarHBondContact O-N 2.86Å; Y186-H188 VanDerWaalsContact C-N 3.28Å; Y186-H188 PolarHBondContact O-N 3.17Å; Y186-V189 PolarHBondContact O-N 2.86Å; Y186-L190 HydrophobicContact CD1-CB 4.43Å; Y186-L190 HydrophobicContact CE1-CB 4.37Å; Y186-L190 HydrophobicContact CE1-CD2 4.39Å; Y186-L190 WeakPolarHBondContact O-CB 3.28Å; Y186-L190 PolarHBondContact O-N 2.77Å; Y186-F230 AromaticContact CD1-CE2 3.63Å; Y186-F230 HydrophobicContact CD1-CE2 3.63Å; Y186-F230 AromaticContact CD1-CZ 3.73Å; Y186-F230 HydrophobicContact CD1-CZ 3.73Å; Y186-F230 HydrophobicContact CE1-CE2 4.41Å; Y186-F230 HydrophobicContact CE1-CZ 4.07Å; Y186-F230 HydrophobicContact CG-CE2 4.08Å; Y186-F230 HydrophobicContact CG-CZ 4.33Å; Y186-F256 HydrophobicContact CD2-CE1 4.39Å; Y186-F256 HydrophobicContact CG-CE1 4.35Å; Y186-V273 HydrophobicContact CD2-CG2 4.43Å; Y186-V273 HydrophobicContact CE1-CB 4.33Å; Y186-V273 HydrophobicContact CE1-CG1 3.9Å; Y186-V273 HydrophobicContact CE2-CB 4.01Å; Y186-V273 HydrophobicContact CE2-CG1 4.39Å; Y186-V273 HydrophobicContact CE2-CG2 3.74Å; Y186-V273 WeakPolarHBondContact OH-CB 3.35Å; Y186-P279 HydrophobicContact CE1-CB 4.36Å; Y186-P279 HydrophobicContact CE1-CG 4.28Å; Y186-P279 HydrophobicContact CE2-CG 4.17Å; Y186-L282 HydrophobicContact CE1-CD2 4.01Å; Y186-G359 WeakPolarHBondContact CD2-O 3.39Å; Y186-V362 HydrophobicContact CD2-CG1 3.73Å; Y186-V362 HydrophobicContact CE2-CG1 3.65Å; Y186-H363 AromaticContact CE2-CE1 3.84Å; Y186-H363 AromaticContact CE2-ND1 3.36Å; Y186-H363 WeakPolarHBondContact CE2-ND1 3.48Å; Y186-H363 AromaticContact CZ-ND1 3.84Å; Y186-H363 PolarHBondContact OH-CE1 3.42Å; Y186-H363 PolarHBondContact OH-ND1 2.76Å; Y186-L365 HydrophobicContact CD2-CD1 3.72Å; Y186-L365 HydrophobicContact CE2-CD1 4.3Å; Y186-L365 HydrophobicContact CG-CD1 4.14Å
187	V	97.7	Very high	97	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-33.2	-179.6	-178.1	0	0	0	0	111.5	W172 R183 A185 V189 L190 R191 V196 I228 F230	W172-V187 HydrophobicContact CD2-CB 4.43Å; W172-V187 HydrophobicContact CD2-CG1 4.09Å; W172-V187 HydrophobicContact CD2-CG2 4.01Å; W172-V187 HydrophobicContact CE3-CB 4Å; W172-V187 HydrophobicContact CE3-CG1 3.48Å; W172-V187 VanDerWaalsContact CE3-CG1 3.48Å; W172-V187 HydrophobicContact CE3-CG2 4.09Å; W172-V187 HydrophobicContact CH2-CB 4.1Å; W172-V187 HydrophobicContact CH2-CG1 4.45Å; W172-V187 HydrophobicContact CH2-CG2 4.14Å; W172-V187 HydrophobicContact CZ2-CG2 4.06Å; W172-V187 HydrophobicContact CZ3-CB 3.79Å; W172-V187 HydrophobicContact CZ3-CG1 3.67Å; W172-V187 HydrophobicContact CZ3-CG2 4.13Å; R183-V187 WeakPolarHBondContact O-CG2 3.31Å; R183-V187 PolarHBondContact O-N 3.27Å; R183-V187 VanDerWaalsContact O-N 3.14Å; A185-V187 PolarHBondContact O-N 2.56Å; V187-V189 VanDerWaalsContact C-N 3.33Å; V187-V189 PolarHBondContact O-N 3.11Å; V187-L190 PolarHBondContact O-N 3.08Å; V187-R191 HydrophobicContact CG1-CG 4.43Å; V187-R191 VanDerWaalsContact O-CG 3.31Å; V187-R191 WeakPolarHBondContact O-CG 3.29Å; V187-R191 PolarHBondContact O-N 3.06Å; V187-R191 VanDerWaalsContact O-N 3.1Å; V187-V196 HydrophobicContact CG1-CG1 4.03Å; V187-I228 HydrophobicContact CG1-CD1 4.1Å; V187-I228 HydrophobicContact CG2-CD1 3.81Å; V187-I228 HydrophobicContact CG2-CG2 4.12Å; V187-F230 HydrophobicContact CG2-CD2 3.82Å; V187-F230 HydrophobicContact CG2-CE2 3.67Å
188	H	96.7	Very high	97	Very high	125 Å²	125	45.9 Å²	45.9	58%	0.579	23%	0.229	S	C	*	.	H	α-helix	trans	-58.4	-44.2	174.5	-177.8	76.4	0	0	0	112.1	E184 A185 Y186	E184-H188 WeakPolarHBondContact O-CB 3.35Å; E184-H188 PolarHBondContact O-N 3.22Å; A185-H188 WeakPolarHBondContact O-CB 3.5Å; A185-H188 PolarHBondContact O-N 2.8Å; Y186-H188 VanDerWaalsContact C-N 3.28Å; Y186-H188 PolarHBondContact O-N 3.17Å
189	V	97.9	Very high	96.7	Very high	22 Å²	22	43.4 Å²	43.4	13%	0.133	21%	0.205	C	C	.	.	H	α-helix	trans	-72.9	-43.5	176.8	-179.4	0	0	0	0	111.5	A185 Y186 V187 R191 Q192 Y193 P279 L365	A185-V189 PolarHBondContact O-N 2.72Å; Y186-V189 PolarHBondContact O-N 2.86Å; V187-V189 VanDerWaalsContact C-N 3.33Å; V187-V189 PolarHBondContact O-N 3.11Å; V189-R191 PolarHBondContact O-N 2.82Å; V189-R191 VanDerWaalsContact O-N 3.17Å; V189-Q192 VanDerWaalsContact O-CB 3.31Å; V189-Q192 WeakPolarHBondContact O-CB 3.11Å; V189-Q192 WeakPolarHBondContact O-CG 3.32Å; V189-Q192 PolarHBondContact O-N 3.25Å; V189-Y193 HydrophobicContact CG1-CE2 4.04Å; V189-P279 HydrophobicContact CB-CG 4.28Å; V189-P279 HydrophobicContact CG1-CB 4.11Å; V189-P279 HydrophobicContact CG1-CG 3.83Å; V189-L365 HydrophobicContact CB-CD1 4.27Å; V189-L365 HydrophobicContact CG1-CD2 4.26Å; V189-L365 HydrophobicContact CG2-CB 4.26Å; V189-L365 HydrophobicContact CG2-CD1 4.15Å; V189-L365 HydrophobicContact CG2-CD2 4.45Å
190	L	98.5	Very high	96.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-55.6	-36.6	-180	-178.7	60.9	0	0	0	112.7	Y186 V187 Q192 Y193 I194 V196 I228 P279 L282 A283	Y186-L190 HydrophobicContact CD1-CB 4.43Å; Y186-L190 HydrophobicContact CE1-CB 4.37Å; Y186-L190 HydrophobicContact CE1-CD2 4.39Å; Y186-L190 WeakPolarHBondContact O-CB 3.28Å; Y186-L190 PolarHBondContact O-N 2.77Å; V187-L190 PolarHBondContact O-N 3.08Å; L190-Q192 PolarHBondContact O-N 2.87Å; L190-Q192 VanDerWaalsContact O-N 3.1Å; L190-Y193 PolarHBondContact O-N 2.8Å; L190-I194 HydrophobicContact CD1-CG2 3.8Å; L190-I194 HydrophobicContact CG-CG2 3.85Å; L190-I194 PolarHBondContact O-N 2.94Å; L190-V196 HydrophobicContact CD2-CG2 4.4Å; L190-V196 HydrophobicContact CG-CG2 4.42Å; L190-I228 HydrophobicContact CD2-CD1 4.06Å; L190-P279 HydrophobicContact CB-CB 4.28Å; L190-P279 HydrophobicContact CD1-CB 4.16Å; L190-P279 WeakPolarHBondContact CD1-O 3.34Å; L190-L282 HydrophobicContact CD1-CD2 4.12Å; L190-L282 HydrophobicContact CD1-CG 4.43Å; L190-L282 HydrophobicContact CD2-CD2 4.29Å; L190-A283 HydrophobicContact CD1-CB 4.18Å
191	R	97.2	Very high	96	Very high	86 Å²	86	45.6 Å²	45.6	33%	0.325	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.6	177.7	-82.2	173.8	172.4	151	12.6	115.2	V187 V189 Y193 I194 V196 E198	V187-R191 HydrophobicContact CG1-CG 4.43Å; V187-R191 VanDerWaalsContact O-CG 3.31Å; V187-R191 WeakPolarHBondContact O-CG 3.29Å; V187-R191 PolarHBondContact O-N 3.06Å; V187-R191 VanDerWaalsContact O-N 3.1Å; V189-R191 PolarHBondContact O-N 2.82Å; V189-R191 VanDerWaalsContact O-N 3.17Å; R191-Y193 PolarHBondContact O-N 3.28Å; R191-I194 WeakPolarHBondContact CA-O 2.89Å; R191-V196 HydrophobicContact CG-CB 3.82Å; R191-V196 HydrophobicContact CG-CG2 3.96Å; R191-E198 IonicContact CZ-OE2 3.05Å; R191-E198 IonicContact NH1-OE2 3.89Å; R191-E198 PolarHBondContact NH1-OE2 3.18Å; R191-E198 VanDerWaalsContact NH2-CB 3.34Å; R191-E198 IonicContact NH2-OE2 2.9Å; R191-E198 PolarHBondContact NH2-OE2 2.92Å
192	Q	98	Very high	95.6	Very high	128 Å²	128	47 Å²	47	60%	0.598	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.3	175.8	-60.1	178.3	-15	0	0	112	V189 L190	V189-Q192 VanDerWaalsContact O-CB 3.31Å; V189-Q192 WeakPolarHBondContact O-CB 3.11Å; V189-Q192 WeakPolarHBondContact O-CG 3.32Å; V189-Q192 PolarHBondContact O-N 3.25Å; L190-Q192 PolarHBondContact O-N 2.87Å; L190-Q192 VanDerWaalsContact O-N 3.1Å
193	Y	98.5	Very high	95.2	Very high	99 Å²	99	43.3 Å²	43.3	39%	0.388	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-21.9	-171.9	-52.6	-69.1	0	0	0	113.7	V189 L190 R191 P279 K280 A283	V189-Y193 HydrophobicContact CG1-CE2 4.04Å; L190-Y193 PolarHBondContact O-N 2.8Å; R191-Y193 PolarHBondContact O-N 3.28Å; Y193-P279 HydrophobicContact CD2-CB 4.29Å; Y193-P279 HydrophobicContact CE2-CB 4.38Å; Y193-K280 HydrophobicContact CD1-CB 3.81Å; Y193-K280 HydrophobicContact CD1-CD 4.1Å; Y193-K280 HydrophobicContact CD1-CG 3.64Å; Y193-K280 HydrophobicContact CD2-CB 4Å; Y193-K280 HydrophobicContact CE1-CB 3.82Å; Y193-K280 HydrophobicContact CE1-CD 3.96Å; Y193-K280 HydrophobicContact CE1-CG 3.88Å; Y193-K280 HydrophobicContact CE2-CB 4.02Å; Y193-K280 HydrophobicContact CG-CB 3.9Å; Y193-K280 HydrophobicContact CG-CG 4.05Å; Y193-A283 VanDerWaalsContact CB-CB 3.49Å
194	I	98.4	Very high	94.5	Very high	10 Å²	10	54.7 Å²	54.7	5%	0.051	25%	0.253	C	S	.	.	S	Bend	trans	-149.2	146.9	179.5	-166.9	167.2	0	0	0	111.1	L169 V170 L190 R191 V196 A283 L286 I287	L169-I194 HydrophobicContact CB-CD1 4.3Å; L169-I194 HydrophobicContact CD1-CD1 3.89Å; L169-I194 HydrophobicContact CD1-CG1 3.92Å; V170-I194 HydrophobicContact CG2-CD1 3.86Å; V170-I194 HydrophobicContact CG2-CG1 4.27Å; V170-I194 HydrophobicContact CG2-CG2 4.46Å; L190-I194 HydrophobicContact CD1-CG2 3.8Å; L190-I194 HydrophobicContact CG-CG2 3.85Å; L190-I194 PolarHBondContact O-N 2.94Å; R191-I194 WeakPolarHBondContact CA-O 2.89Å; I194-V196 HydrophobicContact CG2-CG2 4.2Å; I194-V196 PolarHBondContact O-N 3.09Å; I194-A283 HydrophobicContact CB-CB 3.94Å; I194-A283 HydrophobicContact CG2-CB 4Å; I194-L286 HydrophobicContact CD1-CB 3.72Å; I194-L286 HydrophobicContact CD1-CD1 3.98Å; I194-I287 HydrophobicContact CD1-CG1 4.24Å
195	E	97.1	Very high	93.7	Very high	137 Å²	137	57.9 Å²	57.9	64%	0.64	27%	0.271	S	S	*	.			trans	-66.6	122.8	175.6	-171.4	177.2	162.2	0	0	110.8
196	V	97.3	Very high	92.6	Very high	14 Å²	14	63.5 Å²	63.5	9%	0.085	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	107.2	176.5	-177.5	0	0	0	0	109.5	V170 W172 V187 L190 R191 I194 E198 I228	V170-V196 HydrophobicContact CB-CG2 4.15Å; V170-V196 HydrophobicContact CG1-CG1 4.14Å; V170-V196 HydrophobicContact CG1-CG2 4.14Å; W172-V196 HydrophobicContact CB-CG1 3.94Å; V187-V196 HydrophobicContact CG1-CG1 4.03Å; L190-V196 HydrophobicContact CD2-CG2 4.4Å; L190-V196 HydrophobicContact CG-CG2 4.42Å; R191-V196 HydrophobicContact CG-CB 3.82Å; R191-V196 HydrophobicContact CG-CG2 3.96Å; I194-V196 HydrophobicContact CG2-CG2 4.2Å; I194-V196 PolarHBondContact O-N 3.09Å; V196-E198 PolarHBondContact O-N 2.71Å; V196-I228 HydrophobicContact CG1-CD1 3.82Å; V196-I228 HydrophobicContact CG2-CD1 4.46Å
197	D	94.9	Very high	91.4	Very high	26 Å²	26	69.6 Å²	69.6	14%	0.139	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	121.9	176	-82.7	-52.4	0	0	0	111.2	K168 V170 W172 Y199 Y224	K168-D197 WeakPolarHBondContact CD-OD2 3.33Å; K168-D197 IonicContact NZ-OD1 3.24Å; K168-D197 IonicContact NZ-OD2 3.8Å; K168-D197 PolarHBondContact NZ-OD2 2.84Å; V170-D197 PolarHBondContact O-N 2.63Å; W172-D197 PolarHBondContact N-O 3.28Å; D197-Y199 HydrophobicContact CB-CE2 3.78Å; D197-Y224 HydrophobicContact CB-CE1 3.75Å; D197-Y224 WeakPolarHBondContact CB-OH 3.21Å; D197-Y224 VanDerWaalsContact CG-OH 3.23Å; D197-Y224 WeakPolarHBondContact OD2-CE1 3.31Å; D197-Y224 PolarHBondContact OD2-OH 3.33Å
198	E	92.9	Very high	90.3	Very high	43 Å²	43	70.5 Å²	70.5	20%	0.201	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.5	-178.2	-156.6	172.2	70.1	0	0	112.7	W172 V174 R191 V196 A203	W172-E198 HydrophobicContact CE3-CG 4Å; W172-E198 VanDerWaalsContact CE3-OE2 3.26Å; W172-E198 HydrophobicContact CZ3-CG 4.49Å; W172-E198 WeakPolarHBondContact CZ3-OE2 3.43Å; W172-E198 WeakPolarHBondContact O-CA 3.12Å; V174-E198 HydrophobicContact CG1-CG 3.54Å; R191-E198 IonicContact CZ-OE2 3.05Å; R191-E198 IonicContact NH1-OE2 3.89Å; R191-E198 PolarHBondContact NH1-OE2 3.18Å; R191-E198 VanDerWaalsContact NH2-CB 3.34Å; R191-E198 IonicContact NH2-OE2 2.9Å; R191-E198 PolarHBondContact NH2-OE2 2.92Å; V196-E198 PolarHBondContact O-N 2.71Å; E198-A203 HydrophobicContact CB-CB 4.19Å; E198-A203 HydrophobicContact CG-CB 4.08Å; E198-A203 WeakPolarHBondContact O-CB 3.23Å; E198-A203 WeakPolarHBondContact OE1-CA 3.24Å
199	Y	91	Very high	89.2	Confident	18 Å²	18	67.9 Å²	67.9	7%	0.071	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	162	176.6	-62.8	-92.6	0	0	0	111	W172 F173 V174 D197 R207 V219 Y224	W172-Y199 PolarHBondContact O-N 2.88Å; F173-Y199 WeakPolarHBondContact CA-O 3.3Å; F173-Y199 VanDerWaalsContact CD1-CB 3.41Å; F173-Y199 HydrophobicContact CD1-CG 4.31Å; F173-Y199 AromaticContact CD2-CD2 4Å; F173-Y199 HydrophobicContact CD2-CD2 4Å; F173-Y199 HydrophobicContact CD2-CG 4.23Å; F173-Y199 HydrophobicContact CE1-CD1 4.29Å; F173-Y199 HydrophobicContact CE1-CD2 4.41Å; F173-Y199 AromaticContact CE1-CG 3.79Å; F173-Y199 HydrophobicContact CE1-CG 3.79Å; F173-Y199 AromaticContact CE2-CD2 3.45Å; F173-Y199 HydrophobicContact CE2-CD2 3.45Å; F173-Y199 VanDerWaalsContact CE2-CD2 3.45Å; F173-Y199 HydrophobicContact CE2-CE2 4.16Å; F173-Y199 AromaticContact CE2-CG 3.7Å; F173-Y199 HydrophobicContact CE2-CG 3.7Å; F173-Y199 AromaticContact CZ-CD1 3.99Å; F173-Y199 HydrophobicContact CZ-CD1 3.99Å; F173-Y199 AromaticContact CZ-CD2 3.71Å; F173-Y199 HydrophobicContact CZ-CD2 3.71Å; F173-Y199 HydrophobicContact CZ-CE2 4.4Å; F173-Y199 AromaticContact CZ-CG 3.47Å; F173-Y199 HydrophobicContact CZ-CG 3.47Å; F173-Y199 VanDerWaalsContact CZ-CG 3.47Å; V174-Y199 PolarHBondContact N-O 3.24Å; D197-Y199 HydrophobicContact CB-CE2 3.78Å; Y199-R207 HydrophobicContact CD1-CB 3.68Å; Y199-R207 HydrophobicContact CE1-CB 4.1Å; Y199-V219 HydrophobicContact CE1-CG1 3.82Å; Y199-V219 HydrophobicContact CE2-CG1 3.94Å; Y199-V219 VanDerWaalsContact CZ-CG1 3.45Å; Y199-V219 WeakPolarHBondContact OH-CG1 3.35Å; Y199-Y224 HydrophobicContact CE2-CE2 4.41Å; Y199-Y224 WeakPolarHBondContact CE2-OH 3.32Å; Y199-Y224 PolarHBondContact OH-OH 3.45Å
200	G	88.6	Confident	87.5	Confident	3 Å²	3	75.1 Å²	75.1	3%	0.031	34%	0.344	C	S	.	.	S	Bend	trans	94.6	-168.2	-177.8	0	0	0	0	0	113.5	V174 C202 A203 R207	V174-G200 CarbonylContact O-C 3.41Å; G200-C202 VanDerWaalsContact C-N 3.26Å; G200-C202 PolarHBondContact O-N 2.59Å; G200-A203 WeakPolarHBondContact O-CB 3.43Å; G200-A203 PolarHBondContact O-N 3.04Å; G200-R207 PolarHBondContact N-O 2.97Å
201	L	88.6	Confident	85.6	Confident	82 Å²	82	81.8 Å²	81.8	43%	0.429	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.2	-170.2	-61.5	-179.8	0	0	0	114.3	V174 R210	V174-L201 PolarHBondContact O-N 3.27Å; V174-L201 VanDerWaalsContact O-N 3.16Å; L201-R210 HydrophobicContact CD1-CB 4.15Å; L201-R210 HydrophobicContact CD1-CG 4.4Å; L201-R210 HydrophobicContact CG-CB 4.28Å
202	C	90.6	Very high	84.5	Confident	29 Å²	29	79.4 Å²	79.4	20%	0.196	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-15.1	178.6	-50.8	0	0	0	0	112.6	V174 S175 N176 C177 G200	V174-C202 HydrophobicContact CB-CB 4.42Å; V174-C202 HydrophobicContact CG1-CB 3.96Å; V174-C202 HydrophobicContact CG2-CB 3.87Å; V174-C202 VanDerWaalsContact CG2-SG 3.56Å; V174-C202 PolarHBondContact O-N 2.72Å; V174-C202 VanDerWaalsContact O-N 3.16Å; S175-C202 VanDerWaalsContact C-SG 3.6Å; N176-C202 VanDerWaalsContact C-SG 3.56Å; C177-C202 WeakPolarHBondContact CA-SG 3.27Å; C177-C202 HydrophobicContact CB-CB 3.87Å; C177-C202 WeakPolarHBondContact CB-SG 3.45Å; C177-C202 PolarHBondContact N-SG 3.09Å; C177-C202 VanDerWaalsContact SG-CA 3.51Å; C177-C202 WeakPolarHBondContact SG-CB 3.35Å; C177-C202 CovalentContact SG-SG 2.03Å; C177-C202 PolarHBondContact SG-SG 3.13Å; G200-C202 VanDerWaalsContact C-N 3.26Å; G200-C202 PolarHBondContact O-N 2.59Å
203	A	87.7	Confident	83.2	Confident	6 Å²	6	80.4 Å²	80.4	5%	0.05	38%	0.375	C	S	.	.	S	Bend	trans	-64.2	136.4	176.2	0	0	0	0	0	111.4	E198 G200 N205 K206	E198-A203 HydrophobicContact CB-CB 4.19Å; E198-A203 HydrophobicContact CG-CB 4.08Å; E198-A203 WeakPolarHBondContact O-CB 3.23Å; E198-A203 WeakPolarHBondContact OE1-CA 3.24Å; G200-A203 WeakPolarHBondContact O-CB 3.43Å; G200-A203 PolarHBondContact O-N 3.04Å; A203-N205 PolarHBondContact O-N 3.05Å; A203-N205 VanDerWaalsContact O-N 3.1Å; A203-K206 PolarHBondContact O-N 3.29Å
204	R	83.1	Confident	82.2	Confident	244 Å²	244	82.8 Å²	82.8	92%	0.921	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-40.2	176.8	-69.6	-176	178.7	176.2	-0.4	112.9
205	N	79.8	Confident	81.5	Confident	113 Å²	113	83.1 Å²	83.1	60%	0.604	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	4.9	-179.5	-66.8	-27.1	0	0	0	113.9	A203 R207	A203-N205 PolarHBondContact O-N 3.05Å; A203-N205 VanDerWaalsContact O-N 3.1Å; N205-R207 HydrophobicContact CB-CG 3.88Å; N205-R207 PolarHBondContact ND2-NH2 3.19Å; N205-R207 PolarHBondContact O-N 3.14Å
206	K	71.1	Confident	80.6	Confident	148 Å²	148	77.7 Å²	77.7	64%	0.643	37%	0.368	S	S	*	.			trans	42.8	38.9	-176.6	-61.7	-177.9	-179.9	177.4	0	114	A203 C208	A203-K206 PolarHBondContact O-N 3.29Å; K206-C208 PolarHBondContact O-N 3.39Å
207	R	74.2	Confident	79.8	Confident	129 Å²	129	79.6 Å²	79.6	49%	0.487	38%	0.382	S	S	.	.			trans	-67.3	130.5	-179	-67.4	177.6	-178.3	170.4	-1.2	108.9	Y199 G200 N205	Y199-R207 HydrophobicContact CD1-CB 3.68Å; Y199-R207 HydrophobicContact CE1-CB 4.1Å; G200-R207 PolarHBondContact N-O 2.97Å; N205-R207 HydrophobicContact CB-CG 3.88Å; N205-R207 PolarHBondContact ND2-NH2 3.19Å; N205-R207 PolarHBondContact O-N 3.14Å
208	C	74.7	Confident	79.4	Confident	18 Å²	18	86.3 Å²	86.3	12%	0.122	41%	0.405	C	S	.	.	S	Bend	trans	66.2	129.4	-170.3	-54.8	0	0	0	0	114.1	F173 K206 C215	F173-C208 HydrophobicContact CE1-CB 3.99Å; K206-C208 PolarHBondContact O-N 3.39Å; C208-C215 VanDerWaalsContact CA-SG 3.58Å; C208-C215 HydrophobicContact CB-CB 3.68Å; C208-C215 WeakPolarHBondContact CB-SG 3.47Å; C208-C215 WeakPolarHBondContact SG-CB 3.38Å; C208-C215 CovalentContact SG-SG 2.04Å; C208-C215 PolarHBondContact SG-SG 2.97Å
209	A	72.5	Confident	79.2	Confident	71 Å²	71	85.2 Å²	85.2	59%	0.587	40%	0.401	S	S	*	.			trans	-68.4	155.8	171.7	0	0	0	0	0	111.6	N211 S212	A209-N211 PolarHBondContact O-N 3.16Å; A209-S212 PolarHBondContact O-N 3.1Å
210	R	61.9	Low	79.1	Confident	173 Å²	173	84.4 Å²	84.4	65%	0.653	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.3	-42.7	-173.9	-177	179.1	171.6	171.7	-1.7	114.7	L201	L201-R210 HydrophobicContact CD1-CB 4.15Å; L201-R210 HydrophobicContact CD1-CG 4.4Å; L201-R210 HydrophobicContact CG-CB 4.28Å
211	N	60.4	Low	79.3	Confident	140 Å²	140	88.6 Å²	88.6	75%	0.749	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	18	-174.4	-64.7	-17	0	0	0	113.1	A209 R213	A209-N211 PolarHBondContact O-N 3.16Å; N211-R213 PolarHBondContact O-N 2.93Å
212	S	72.6	Confident	79.4	Confident	37 Å²	37	87.8 Å²	87.8	26%	0.259	42%	0.415	S	S	.	.			trans	-77.4	75.9	-178.3	-171.9	0	0	0	0	110.8	A209 E214 C215 L216	A209-S212 PolarHBondContact O-N 3.1Å; S212-E214 PolarHBondContact O-N 3.28Å; S212-E214 VanDerWaalsContact O-N 3.16Å; S212-C215 PolarHBondContact O-N 3.35Å; S212-C215 WeakPolarHBondContact OG-CB 3.25Å; S212-C215 PolarHBondContact OG-N 3.14Å; S212-C215 VanDerWaalsContact OG-N 3.15Å; S212-L216 WeakPolarHBondContact O-CD1 3.4Å; S212-L216 PolarHBondContact O-N 3.14Å
213	R	71.2	Confident	79.6	Confident	149 Å²	149	89.3 Å²	89.3	56%	0.562	42%	0.421	S	S	*	.	H	α-helix	trans	-52.1	-34.3	173.5	-173.8	177.5	-178.4	164.5	5.4	111.4	N211 L216 S217 D245	N211-R213 PolarHBondContact O-N 2.93Å; R213-L216 WeakPolarHBondContact O-CB 3.32Å; R213-S217 VanDerWaalsContact O-CB 3.3Å; R213-S217 WeakPolarHBondContact O-CB 3.38Å; R213-S217 PolarHBondContact O-N 3.38Å; R213-D245 IonicContact NH2-OD1 3.64Å
214	E	78.4	Confident	80.1	Confident	148 Å²	148	89.1 Å²	89.1	69%	0.692	42%	0.419	S	S	*	.	H	α-helix	trans	-63.9	-49.2	173.6	-169.4	-171.7	163.7	0	0	112.3	S212 L216 S217 R218	S212-E214 PolarHBondContact O-N 3.28Å; S212-E214 VanDerWaalsContact O-N 3.16Å; E214-L216 VanDerWaalsContact C-N 3.34Å; E214-L216 PolarHBondContact O-N 3.47Å; E214-S217 PolarHBondContact O-N 3.02Å; E214-R218 VanDerWaalsContact O-CB 3.3Å; E214-R218 WeakPolarHBondContact O-CB 2.98Å; E214-R218 PolarHBondContact O-N 3.33Å
215	C	82.6	Confident	80.8	Confident	17 Å²	17	78.2 Å²	78.2	12%	0.115	38%	0.378	C	S	.	.	H	α-helix	trans	-61.8	-44.4	176.8	-164.6	0	0	0	0	111.2	C208 S212 R218 V219	C208-C215 VanDerWaalsContact CA-SG 3.58Å; C208-C215 HydrophobicContact CB-CB 3.68Å; C208-C215 WeakPolarHBondContact CB-SG 3.47Å; C208-C215 WeakPolarHBondContact SG-CB 3.38Å; C208-C215 CovalentContact SG-SG 2.04Å; C208-C215 PolarHBondContact SG-SG 2.97Å; S212-C215 PolarHBondContact O-N 3.35Å; S212-C215 WeakPolarHBondContact OG-CB 3.25Å; S212-C215 PolarHBondContact OG-N 3.14Å; S212-C215 VanDerWaalsContact OG-N 3.15Å; C215-R218 PolarHBondContact O-N 2.82Å; C215-V219 VanDerWaalsContact O-CB 3.29Å; C215-V219 WeakPolarHBondContact O-CB 3.35Å; C215-V219 WeakPolarHBondContact O-CG2 3.29Å; C215-V219 PolarHBondContact O-N 2.69Å
216	L	78.1	Confident	81.7	Confident	24 Å²	24	72.9 Å²	72.9	13%	0.126	35%	0.35	C	S	.	.	H	α-helix	trans	-53.2	-54.5	173.3	-83	141	0	0	0	111.4	F173 S212 R213 E214 V219 I220	F173-L216 HydrophobicContact CB-CD2 3.84Å; F173-L216 HydrophobicContact CD1-CD1 4.33Å; F173-L216 HydrophobicContact CD1-CD2 3.15Å; F173-L216 HydrophobicContact CD1-CG 3.5Å; F173-L216 HydrophobicContact CD2-CD2 3.78Å; F173-L216 HydrophobicContact CE1-CB 4.28Å; F173-L216 HydrophobicContact CE1-CD2 3.47Å; F173-L216 VanDerWaalsContact CE1-CD2 3.47Å; F173-L216 HydrophobicContact CE1-CG 3.44Å; F173-L216 VanDerWaalsContact CE1-CG 3.44Å; F173-L216 HydrophobicContact CE2-CD2 4.06Å; F173-L216 HydrophobicContact CG-CD2 3.29Å; F173-L216 HydrophobicContact CG-CG 4.18Å; F173-L216 HydrophobicContact CZ-CD2 3.9Å; F173-L216 HydrophobicContact CZ-CG 4.08Å; S212-L216 WeakPolarHBondContact O-CD1 3.4Å; S212-L216 PolarHBondContact O-N 3.14Å; R213-L216 WeakPolarHBondContact O-CB 3.32Å; E214-L216 VanDerWaalsContact C-N 3.34Å; E214-L216 PolarHBondContact O-N 3.47Å; L216-V219 PolarHBondContact O-N 2.96Å; L216-I220 HydrophobicContact CD2-CD1 3.84Å; L216-I220 WeakPolarHBondContact O-CB 3.45Å; L216-I220 WeakPolarHBondContact O-CG1 3.33Å; L216-I220 PolarHBondContact O-N 2.94Å
217	S	81.8	Confident	82.9	Confident	54 Å²	54	66.4 Å²	66.4	38%	0.378	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-46	-178.9	-177.9	0	0	0	0	112.1	R213 E214 V219 K221	R213-S217 VanDerWaalsContact O-CB 3.3Å; R213-S217 WeakPolarHBondContact O-CB 3.38Å; R213-S217 PolarHBondContact O-N 3.38Å; E214-S217 PolarHBondContact O-N 3.02Å; S217-V219 VanDerWaalsContact C-N 3.27Å; S217-V219 PolarHBondContact O-N 3.46Å; S217-K221 WeakPolarHBondContact O-CB 3.44Å; S217-K221 PolarHBondContact O-N 2.63Å
218	R	85.6	Confident	84	Confident	167 Å²	167	60.3 Å²	60.3	63%	0.63	30%	0.298	S	S	*	.	H	α-helix	trans	-64.2	-30.5	179.7	-174.2	177.7	66.2	-177.7	-0.8	113	E214 C215 P222	E214-R218 VanDerWaalsContact O-CB 3.3Å; E214-R218 WeakPolarHBondContact O-CB 2.98Å; E214-R218 PolarHBondContact O-N 3.33Å; C215-R218 PolarHBondContact O-N 2.82Å; R218-P222 WeakPolarHBondContact O-CD 3.34Å; R218-P222 WeakPolarHBondContact O-CG 3.36Å
219	V	88.9	Confident	85.1	Confident	20 Å²	20	59.4 Å²	59.4	12%	0.121	29%	0.293	C	S	.	.	H	α-helix	trans	-92.8	-48.4	-175.8	170.9	0	0	0	0	111.7	F173 Y199 C215 L216 S217 N223 Y224	F173-V219 HydrophobicContact CZ-CB 4.45Å; F173-V219 HydrophobicContact CZ-CG1 4.34Å; Y199-V219 HydrophobicContact CE1-CG1 3.82Å; Y199-V219 HydrophobicContact CE2-CG1 3.94Å; Y199-V219 VanDerWaalsContact CZ-CG1 3.45Å; Y199-V219 WeakPolarHBondContact OH-CG1 3.35Å; C215-V219 VanDerWaalsContact O-CB 3.29Å; C215-V219 WeakPolarHBondContact O-CB 3.35Å; C215-V219 WeakPolarHBondContact O-CG2 3.29Å; C215-V219 PolarHBondContact O-N 2.69Å; L216-V219 PolarHBondContact O-N 2.96Å; S217-V219 VanDerWaalsContact C-N 3.27Å; S217-V219 PolarHBondContact O-N 3.46Å; V219-N223 WeakPolarHBondContact O-CB 3.5Å; V219-N223 PolarHBondContact O-ND2 2.04Å; V219-Y224 HydrophobicContact CG1-CE2 3.74Å; V219-Y224 WeakPolarHBondContact O-CD2 3.4Å
220	I	89.6	Confident	86.3	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-72.1	-59.9	-171.6	-64.1	174.8	0	0	0	110.8	A171 F173 L216 N223 Y224 Y227 V251	A171-I220 HydrophobicContact CB-CG1 4.37Å; F173-I220 HydrophobicContact CD2-CD1 3.72Å; F173-I220 HydrophobicContact CD2-CG1 4.18Å; F173-I220 HydrophobicContact CE2-CD1 3.48Å; F173-I220 VanDerWaalsContact CE2-CD1 3.48Å; F173-I220 HydrophobicContact CE2-CG1 3.46Å; F173-I220 VanDerWaalsContact CE2-CG1 3.46Å; F173-I220 HydrophobicContact CZ-CD1 4.18Å; F173-I220 HydrophobicContact CZ-CG1 4.07Å; L216-I220 HydrophobicContact CD2-CD1 3.84Å; L216-I220 WeakPolarHBondContact O-CB 3.45Å; L216-I220 WeakPolarHBondContact O-CG1 3.33Å; L216-I220 PolarHBondContact O-N 2.94Å; I220-N223 PolarHBondContact O-N 3.25Å; I220-N223 VanDerWaalsContact O-N 3.13Å; I220-Y224 PolarHBondContact O-N 2.81Å; I220-Y227 HydrophobicContact CD1-CD2 3.72Å; I220-Y227 HydrophobicContact CD1-CE2 3.67Å; I220-V251 HydrophobicContact CG2-CG1 4.35Å; I220-V251 HydrophobicContact CG2-CG2 3.73Å
221	K	91	Very high	88	Confident	92 Å²	92	48 Å²	48	40%	0.4	23%	0.234	S	C	.	.	H	α-helix	trans	-53	-48.6	-170	-178.4	-179.7	-176.1	175	0	113.6	K166 S217 D249	K166-K221 PolarHBondContact NZ-O 2.99Å; S217-K221 WeakPolarHBondContact O-CB 3.44Å; S217-K221 PolarHBondContact O-N 2.63Å; K221-D249 HydrophobicContact CB-CB 3.86Å; K221-D249 WeakPolarHBondContact CD-OD1 3.44Å; K221-D249 HydrophobicContact CG-CB 3.91Å
222	P	92.1	Very high	89.7	Confident	64 Å²	64	42.5 Å²	42.5	42%	0.416	21%	0.205	S	C	.	.	H	α-helix	trans	-78.1	-23.7	-178	27.1	-31.6	0	0	0	114	R218	R218-P222 WeakPolarHBondContact O-CD 3.34Å; R218-P222 WeakPolarHBondContact O-CG 3.36Å
223	N	94.9	Very high	90.9	Very high	62 Å²	62	40.8 Å²	40.8	33%	0.332	19%	0.193	S	C	.	.	H	α-helix	trans	-109	-34.8	-164.9	-59.4	-64.2	0	0	0	114.7	R167 K168 V219 I220	R167-N223 PolarHBondContact N-O 3.05Å; R167-N223 VanDerWaalsContact N-O 3.16Å; K168-N223 WeakPolarHBondContact CA-O 3.21Å; K168-N223 WeakPolarHBondContact CB-O 3.49Å; K168-N223 HydrophobicContact CD-CB 4.18Å; K168-N223 HydrophobicContact CG-CB 4.36Å; K168-N223 PolarHBondContact N-O 3.48Å; V219-N223 WeakPolarHBondContact O-CB 3.5Å; V219-N223 PolarHBondContact O-ND2 2.04Å; I220-N223 PolarHBondContact O-N 3.25Å; I220-N223 VanDerWaalsContact O-N 3.13Å
224	Y	97.2	Very high	92.1	Very high	1 Å²	1	34 Å²	34	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	147	-165.5	-65.1	-93	0	0	0	113.4	K166 K168 A171 D197 Y199 V219 I220 V251	K166-Y224 VanDerWaalsContact CD-O 3.27Å; K166-Y224 WeakPolarHBondContact CD-O 3.48Å; K166-Y224 PolarHBondContact NZ-O 2.99Å; K168-Y224 HydrophobicContact CB-CD1 3.48Å; K168-Y224 VanDerWaalsContact CB-CD1 3.48Å; K168-Y224 HydrophobicContact CB-CD2 4.47Å; K168-Y224 HydrophobicContact CB-CE1 3.5Å; K168-Y224 HydrophobicContact CB-CG 4.02Å; K168-Y224 HydrophobicContact CD-CD1 4.32Å; K168-Y224 HydrophobicContact CD-CE1 3.58Å; K168-Y224 HydrophobicContact CD-CE2 3.86Å; K168-Y224 VanDerWaalsContact CD-OH 3.32Å; K168-Y224 WeakPolarHBondContact CD-OH 3.49Å; K168-Y224 HydrophobicContact CG-CE1 4.21Å; K168-Y224 PolarHBondContact NZ-OH 2.92Å; K168-Y224 WeakPolarHBondContact O-CA 3.49Å; A171-Y224 HydrophobicContact CB-CD1 3.6Å; A171-Y224 HydrophobicContact CB-CD2 3.99Å; A171-Y224 HydrophobicContact CB-CE1 3.8Å; A171-Y224 HydrophobicContact CB-CE2 4.16Å; A171-Y224 HydrophobicContact CB-CG 3.68Å; D197-Y224 HydrophobicContact CB-CE1 3.75Å; D197-Y224 WeakPolarHBondContact CB-OH 3.21Å; D197-Y224 VanDerWaalsContact CG-OH 3.23Å; D197-Y224 WeakPolarHBondContact OD2-CE1 3.31Å; D197-Y224 PolarHBondContact OD2-OH 3.33Å; Y199-Y224 HydrophobicContact CE2-CE2 4.41Å; Y199-Y224 WeakPolarHBondContact CE2-OH 3.32Å; Y199-Y224 PolarHBondContact OH-OH 3.45Å; V219-Y224 HydrophobicContact CG1-CE2 3.74Å; V219-Y224 WeakPolarHBondContact O-CD2 3.4Å; I220-Y224 PolarHBondContact O-N 2.81Å; Y224-V251 WeakPolarHBondContact O-CG2 3.47Å
225	K	97.8	Very high	93	Very high	16 Å²	16	27 Å²	27	7%	0.07	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-30.7	172.9	-70.8	-174	177.3	179.2	0	113	K166 K168 L169 V251 I252 D290 Y296	K166-K225 HydrophobicContact CB-CG 3.96Å; K166-K225 HydrophobicContact CD-CG 4.11Å; K168-K225 PolarHBondContact O-N 3.3Å; K168-K225 VanDerWaalsContact O-N 3.11Å; L169-K225 PolarHBondContact O-N 3.48Å; K225-V251 WeakPolarHBondContact O-CA 3.43Å; K225-I252 PolarHBondContact O-N 2.82Å; K225-D290 HydrophobicContact CD-CB 4.44Å; K225-D290 WeakPolarHBondContact CD-OD1 3.31Å; K225-D290 WeakPolarHBondContact CE-OD1 3.18Å; K225-D290 PolarHBondContact NZ-O 2.69Å; K225-D290 IonicContact NZ-OD1 2.87Å; K225-D290 PolarHBondContact NZ-OD1 3.41Å; K225-Y296 WeakPolarHBondContact CA-OH 3.49Å; K225-Y296 HydrophobicContact CB-CE2 3.73Å; K225-Y296 HydrophobicContact CD-CE2 4.43Å; K225-Y296 HydrophobicContact CG-CE2 4.21Å; K225-Y296 PolarHBondContact O-OH 2.84Å
226	F	98.4	Very high	93.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.2	-176.6	-48.1	-77.3	0	0	0	111.4	L169 V170 A171 V251 I252 I254 I271 L286 L289 Y296	L169-F226 HydrophobicContact CB-CD2 4.42Å; L169-F226 HydrophobicContact CD2-CE2 4.42Å; L169-F226 WeakPolarHBondContact O-CD2 2.87Å; L169-F226 PolarHBondContact O-N 3.48Å; V170-F226 WeakPolarHBondContact CA-O 3.42Å; V170-F226 HydrophobicContact CG2-CB 4.18Å; V170-F226 HydrophobicContact CG2-CD2 4.26Å; A171-F226 PolarHBondContact N-O 2.75Å; F226-V251 VanDerWaalsContact C-CG1 3.49Å; F226-I252 WeakPolarHBondContact CA-O 3.35Å; F226-I252 HydrophobicContact CD1-CB 4.04Å; F226-I252 HydrophobicContact CD1-CD1 4.44Å; F226-I252 HydrophobicContact CE1-CB 4.47Å; F226-I252 HydrophobicContact CE1-CD1 4.01Å; F226-I254 HydrophobicContact CB-CD1 3.88Å; F226-I254 HydrophobicContact CB-CG1 4.37Å; F226-I271 HydrophobicContact CD1-CD1 4.25Å; F226-I271 HydrophobicContact CE1-CD1 4.15Å; F226-L286 HydrophobicContact CD1-CD2 3.58Å; F226-L286 HydrophobicContact CD2-CB 4.31Å; F226-L286 HydrophobicContact CD2-CD2 4.25Å; F226-L286 HydrophobicContact CE1-CD2 3.65Å; F226-L286 HydrophobicContact CE2-CB 3.99Å; F226-L286 HydrophobicContact CE2-CD2 4.32Å; F226-L286 WeakPolarHBondContact CE2-O 3.31Å; F226-L286 HydrophobicContact CG-CD2 3.9Å; F226-L286 HydrophobicContact CZ-CB 4.19Å; F226-L286 HydrophobicContact CZ-CD2 4.04Å; F226-L286 WeakPolarHBondContact CZ-O 3.48Å; F226-L289 HydrophobicContact CE1-CB 4.17Å; F226-L289 HydrophobicContact CE1-CD1 3.92Å; F226-L289 HydrophobicContact CZ-CB 3.77Å; F226-L289 HydrophobicContact CZ-CD1 4.34Å; F226-Y296 HydrophobicContact CD1-CE2 4.46Å; F226-Y296 HydrophobicContact CE1-CD2 4.14Å; F226-Y296 AromaticContact CE1-CE2 3.88Å; F226-Y296 HydrophobicContact CE1-CE2 3.88Å; F226-Y296 HydrophobicContact CZ-CD2 4.19Å; F226-Y296 HydrophobicContact CZ-CE2 4.11Å
227	Y	97.4	Very high	94.1	Very high	12 Å²	12	29.5 Å²	29.5	5%	0.047	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.9	176.7	175.6	-102.3	0	0	0	110.5	A171 F173 I220 A229 K242 I252 P253 I254	A171-Y227 HydrophobicContact CB-CD2 4.28Å; A171-Y227 WeakPolarHBondContact O-CA 3.3Å; F173-Y227 HydrophobicContact CB-CE2 4.17Å; F173-Y227 AromaticContact CD2-CE2 3.88Å; F173-Y227 HydrophobicContact CD2-CE2 3.88Å; F173-Y227 HydrophobicContact CG-CE2 4.42Å; I220-Y227 HydrophobicContact CD1-CD2 3.72Å; I220-Y227 HydrophobicContact CD1-CE2 3.67Å; Y227-A229 HydrophobicContact CD1-CB 4.02Å; Y227-A229 HydrophobicContact CE1-CB 4.11Å; Y227-A229 PolarHBondContact O-N 3.08Å; Y227-A229 VanDerWaalsContact O-N 3.12Å; Y227-K242 WeakPolarHBondContact CE1-O 3.43Å; Y227-I252 PolarHBondContact N-O 2.99Å; Y227-P253 CarbonylContact O-C 3.51Å; Y227-P253 WeakPolarHBondContact O-CA 3.43Å; Y227-I254 PolarHBondContact O-N 2.78Å
228	I	97.9	Very high	94.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	105	175.5	-60.1	-175.7	0	0	0	108.6	V170 A171 W172 V187 L190 V196 F230 I254	V170-I228 HydrophobicContact CG1-CD1 3.76Å; V170-I228 HydrophobicContact CG1-CG1 3.54Å; A171-I228 PolarHBondContact O-N 3.14Å; W172-I228 HydrophobicContact CB-CB 4.07Å; W172-I228 HydrophobicContact CB-CD1 4.14Å; W172-I228 HydrophobicContact CB-CG1 4.38Å; W172-I228 HydrophobicContact CG-CB 3.97Å; W172-I228 HydrophobicContact CG-CD1 4.34Å; W172-I228 HydrophobicContact CG-CG2 4.16Å; V187-I228 HydrophobicContact CG1-CD1 4.1Å; V187-I228 HydrophobicContact CG2-CD1 3.81Å; V187-I228 HydrophobicContact CG2-CG2 4.12Å; L190-I228 HydrophobicContact CD2-CD1 4.06Å; V196-I228 HydrophobicContact CG1-CD1 3.82Å; V196-I228 HydrophobicContact CG2-CD1 4.46Å; I228-F230 VanDerWaalsContact C-N 3.33Å; I228-F230 HydrophobicContact CG2-CB 4.01Å; I228-F230 HydrophobicContact CG2-CD1 3.86Å; I228-F230 HydrophobicContact CG2-CD2 3.24Å; I228-F230 HydrophobicContact CG2-CE1 4.09Å; I228-F230 HydrophobicContact CG2-CE2 3.52Å; I228-F230 HydrophobicContact CG2-CG 3.42Å; I228-F230 VanDerWaalsContact CG2-CG 3.42Å; I228-F230 HydrophobicContact CG2-CZ 3.93Å; I228-I254 HydrophobicContact CG1-CD1 4.29Å
229	A	96.9	Very high	95.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.			trans	-96.9	25.8	-179	0	0	0	0	0	112.6	Y227 E231 K242 P253 I254 V255	Y227-A229 HydrophobicContact CD1-CB 4.02Å; Y227-A229 HydrophobicContact CE1-CB 4.11Å; Y227-A229 PolarHBondContact O-N 3.08Å; Y227-A229 VanDerWaalsContact O-N 3.12Å; A229-E231 PolarHBondContact O-N 2.83Å; A229-K242 HydrophobicContact CB-CB 4.29Å; A229-K242 WeakPolarHBondContact CB-O 3.44Å; A229-P253 HydrophobicContact CB-CB 3.92Å; A229-I254 PolarHBondContact N-O 3.12Å; A229-V255 HydrophobicContact CB-CG1 4.17Å
230	F	97.7	Very high	95.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.			trans	-60.3	125.3	179.8	-64	-16.8	0	0	0	112.5	R183 Y186 V187 I228 K242 I254 F256 V273	R183-F230 HydrophobicContact CB-CB 3.8Å; R183-F230 HydrophobicContact CB-CD2 3.98Å; R183-F230 HydrophobicContact CB-CG 4.31Å; R183-F230 HydrophobicContact CG-CB 4.38Å; R183-F230 PolarHBondContact NH1-O 2.86Å; Y186-F230 AromaticContact CD1-CE2 3.63Å; Y186-F230 HydrophobicContact CD1-CE2 3.63Å; Y186-F230 AromaticContact CD1-CZ 3.73Å; Y186-F230 HydrophobicContact CD1-CZ 3.73Å; Y186-F230 HydrophobicContact CE1-CE2 4.41Å; Y186-F230 HydrophobicContact CE1-CZ 4.07Å; Y186-F230 HydrophobicContact CG-CE2 4.08Å; Y186-F230 HydrophobicContact CG-CZ 4.33Å; V187-F230 HydrophobicContact CG2-CD2 3.82Å; V187-F230 HydrophobicContact CG2-CE2 3.67Å; I228-F230 VanDerWaalsContact C-N 3.33Å; I228-F230 HydrophobicContact CG2-CB 4.01Å; I228-F230 HydrophobicContact CG2-CD1 3.86Å; I228-F230 HydrophobicContact CG2-CD2 3.24Å; I228-F230 HydrophobicContact CG2-CE1 4.09Å; I228-F230 HydrophobicContact CG2-CE2 3.52Å; I228-F230 HydrophobicContact CG2-CG 3.42Å; I228-F230 VanDerWaalsContact CG2-CG 3.42Å; I228-F230 HydrophobicContact CG2-CZ 3.93Å; F230-K242 WeakPolarHBondContact O-CD 3.05Å; F230-I254 HydrophobicContact CE1-CG2 3.94Å; F230-I254 HydrophobicContact CZ-CG2 4.19Å; F230-F256 HydrophobicContact CB-CD2 4.23Å; F230-F256 HydrophobicContact CB-CE2 3.69Å; F230-F256 HydrophobicContact CB-CZ 3.99Å; F230-F256 HydrophobicContact CD1-CD1 4.14Å; F230-F256 HydrophobicContact CD1-CD2 4.17Å; F230-F256 HydrophobicContact CD1-CE1 4.12Å; F230-F256 HydrophobicContact CD1-CE2 4.19Å; F230-F256 HydrophobicContact CD1-CG 4.16Å; F230-F256 HydrophobicContact CD1-CZ 4.15Å; F230-F256 HydrophobicContact CD2-CE1 4.05Å; F230-F256 HydrophobicContact CD2-CE2 4.35Å; F230-F256 AromaticContact CD2-CZ 3.79Å; F230-F256 HydrophobicContact CD2-CZ 3.79Å; F230-F256 HydrophobicContact CE1-CD1 4.13Å; F230-F256 HydrophobicContact CE1-CE1 4.17Å; F230-F256 HydrophobicContact CE1-CG 4.49Å; F230-F256 HydrophobicContact CE2-CE1 4.1Å; F230-F256 HydrophobicContact CE2-CZ 4.29Å; F230-F256 HydrophobicContact CG-CD2 4.27Å; F230-F256 HydrophobicContact CG-CE1 4.07Å; F230-F256 AromaticContact CG-CE2 3.84Å; F230-F256 HydrophobicContact CG-CE2 3.84Å; F230-F256 AromaticContact CG-CZ 3.72Å; F230-F256 HydrophobicContact CG-CZ 3.72Å; F230-F256 HydrophobicContact CZ-CD1 4.48Å; F230-F256 HydrophobicContact CZ-CE1 4.17Å; F230-V273 HydrophobicContact CE1-CG1 3.72Å; F230-V273 HydrophobicContact CZ-CG1 3.68Å
231	E	97.2	Very high	95.8	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.014	11%	0.114	C	C	.	.			trans	-75.3	152.5	177.4	-62.7	-62.6	174	0	0	112.6	S181 R183 A229 S233 Y238 T240 K242	S181-E231 WeakPolarHBondContact CB-O 3.1Å; S181-E231 PolarHBondContact OG-O 2.96Å; R183-E231 WeakPolarHBondContact CD-O 3.27Å; A229-E231 PolarHBondContact O-N 2.83Å; E231-S233 WeakPolarHBondContact CB-O 3.41Å; E231-S233 PolarHBondContact O-N 3.01Å; E231-Y238 HydrophobicContact CB-CD1 4.37Å; E231-T240 WeakPolarHBondContact OE1-CA 3.07Å; E231-T240 VanDerWaalsContact OE1-CB 3.27Å; E231-T240 WeakPolarHBondContact OE1-CB 3.47Å; E231-T240 WeakPolarHBondContact OE1-CG2 3.15Å; E231-T240 PolarHBondContact OE1-N 3.05Å; E231-T240 PolarHBondContact OE1-OG1 3.14Å; E231-T240 VanDerWaalsContact OE2-CG2 3.3Å; E231-T240 WeakPolarHBondContact OE2-CG2 3.24Å; E231-T240 PolarHBondContact OE2-OG1 3.18Å; E231-K242 WeakPolarHBondContact OE2-CD 3.07Å; E231-K242 WeakPolarHBondContact OE2-CE 3.43Å; E231-K242 IonicContact OE2-NZ 3.2Å; E231-K242 PolarHBondContact OE2-NZ 3.42Å
232	N	97	Very high	95.9	Very high	26 Å²	26	19 Å²	19	14%	0.139	10%	0.1	C	C	.	.	S	Bend	trans	-63.5	-29.6	174.5	-64.8	-22.3	0	0	0	111.5	T179 P180 S181 R183	T179-N232 WeakPolarHBondContact CB-O 3.32Å; T179-N232 HydrophobicContact CG2-CB 4.12Å; P180-N232 WeakPolarHBondContact CD-O 3.37Å; S181-N232 WeakPolarHBondContact CB-O 3.27Å; S181-N232 PolarHBondContact N-O 3.02Å; S181-N232 VanDerWaalsContact N-O 3.07Å; S181-N232 PolarHBondContact OG-O 2.8Å; R183-N232 PolarHBondContact NE-OD1 3.07Å
233	S	97.2	Very high	96.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-133.3	131.4	-177.1	-57.7	0	0	0	0	108.4	S108 Y110 E231 Y238	S108-S233 VanDerWaalsContact CB-CB 3.5Å; S108-S233 VanDerWaalsContact OG-CB 3.25Å; S108-S233 WeakPolarHBondContact OG-CB 3.4Å; S108-S233 PolarHBondContact OG-OG 2.92Å; Y110-S233 WeakPolarHBondContact CD2-OG 3.44Å; E231-S233 WeakPolarHBondContact CB-O 3.41Å; E231-S233 PolarHBondContact O-N 3.01Å; S233-Y238 WeakPolarHBondContact O-CD1 3.11Å
234	V	96.7	Very high	96	Very high	6 Å²	6	13.5 Å²	13.5	4%	0.036	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	97.6	174.7	-176.7	0	0	0	0	107.4	F256 I260 C354 H355 Y358	V234-F256 HydrophobicContact CG2-CB 4.47Å; V234-F256 HydrophobicContact CG2-CD2 3.47Å; V234-F256 VanDerWaalsContact CG2-CD2 3.47Å; V234-F256 HydrophobicContact CG2-CE2 3.93Å; V234-F256 HydrophobicContact CG2-CG 4.19Å; V234-I260 HydrophobicContact CG1-CD1 3.15Å; V234-C354 CarbonylContact O-C 3.59Å; V234-C354 VanDerWaalsContact O-CA 3.3Å; V234-C354 WeakPolarHBondContact O-CA 3.39Å; V234-H355 HydrophobicContact CB-CB 4.41Å; V234-H355 HydrophobicContact CG1-CB 4.4Å; V234-H355 PolarHBondContact O-N 3.31Å; V234-Y358 HydrophobicContact CB-CG 4.17Å; V234-Y358 HydrophobicContact CG1-CD1 4.28Å; V234-Y358 HydrophobicContact CG1-CD2 3.9Å; V234-Y358 HydrophobicContact CG1-CE2 4.4Å; V234-Y358 HydrophobicContact CG1-CG 3.83Å; V234-Y358 HydrophobicContact CG2-CD1 4.21Å; V234-Y358 HydrophobicContact CG2-CG 4.01Å
235	C	95.9	Very high	95.7	Very high	1 Å²	1	15 Å²	15	1%	0.007	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	157	-176.4	-55	0	0	0	0	111.2	E237 Y238 T353 C354	C235-E237 PolarHBondContact O-N 2.97Å; C235-E237 VanDerWaalsContact O-N 3.14Å; C235-Y238 PolarHBondContact O-N 3.01Å; C235-Y238 VanDerWaalsContact O-N 3.08Å; C235-T353 CarbonylContact C-O 3.55Å; C235-T353 WeakPolarHBondContact CA-O 3.46Å; C235-T353 WeakPolarHBondContact CB-O 2.98Å; C235-C354 HydrophobicContact CB-CB 4.07Å; C235-C354 WeakPolarHBondContact CB-SG 3.33Å; C235-C354 WeakPolarHBondContact SG-CB 3.49Å; C235-C354 CovalentContact SG-SG 2.04Å; C235-C354 PolarHBondContact SG-SG 2.81Å
236	T	92.3	Very high	95.2	Very high	53 Å²	53	15 Å²	15	33%	0.325	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	120.4	174.6	-54.2	0	0	0	0	110.2	Y131 Y238 T353	Y131-T236 WeakPolarHBondContact CE2-O 3.21Å; T236-Y238 PolarHBondContact O-N 2.86Å; T236-T353 PolarHBondContact N-O 1.99Å; T236-T353 PolarHBondContact OG1-O 2.98Å
237	E	93.3	Very high	95	Very high	41 Å²	41	15.1 Å²	15.1	19%	0.192	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	10.6	177	-59.5	175.1	163.6	0	0	116.1	Y131 R132 S133 C235 I239	Y131-E237 WeakPolarHBondContact CD2-O 3.38Å; R132-E237 WeakPolarHBondContact CA-OE2 3.47Å; S133-E237 WeakPolarHBondContact CB-OE1 3.44Å; S133-E237 WeakPolarHBondContact CB-OE2 3.39Å; S133-E237 PolarHBondContact N-OE2 2.87Å; S133-E237 PolarHBondContact OG-OE1 2.69Å; S133-E237 PolarHBondContact OG-OE2 2.99Å; C235-E237 PolarHBondContact O-N 2.97Å; C235-E237 VanDerWaalsContact O-N 3.14Å; E237-I239 VanDerWaalsContact C-N 3.35Å; E237-I239 PolarHBondContact O-N 3.27Å
238	Y	96.5	Very high	94.7	Very high	6 Å²	6	18.8 Å²	18.8	2%	0.024	10%	0.095	C	C	.	.			trans	-79.8	84.2	178.9	-170.2	-113.9	0	0	0	110.7	L106 E107 Y131 Y141 E231 S233 C235 T236 T240	L106-Y238 WeakPolarHBondContact O-CE2 3.4Å; E107-Y238 PolarHBondContact OE2-OH 2.94Å; Y131-Y238 AromaticContact CD1-CD2 3.65Å; Y131-Y238 HydrophobicContact CD1-CD2 3.65Å; Y131-Y238 HydrophobicContact CD1-CE2 4.03Å; Y131-Y238 HydrophobicContact CD2-CD2 4.01Å; Y131-Y238 AromaticContact CE1-CD2 3.39Å; Y131-Y238 HydrophobicContact CE1-CD2 3.39Å; Y131-Y238 AromaticContact CE1-CE2 3.94Å; Y131-Y238 HydrophobicContact CE1-CE2 3.94Å; Y131-Y238 HydrophobicContact CE1-CG 4.36Å; Y131-Y238 AromaticContact CE2-CD2 3.8Å; Y131-Y238 HydrophobicContact CE2-CD2 3.8Å; Y131-Y238 HydrophobicContact CE2-CG 4.25Å; Y131-Y238 AromaticContact CG-CD2 3.96Å; Y131-Y238 HydrophobicContact CG-CD2 3.96Å; Y131-Y238 AromaticContact CZ-CD2 3.48Å; Y131-Y238 VanDerWaalsContact CZ-CD2 3.48Å; Y141-Y238 HydrophobicContact CE2-CE2 4.34Å; E231-Y238 HydrophobicContact CB-CD1 4.37Å; S233-Y238 WeakPolarHBondContact O-CD1 3.11Å; C235-Y238 PolarHBondContact O-N 3.01Å; C235-Y238 VanDerWaalsContact O-N 3.08Å; T236-Y238 PolarHBondContact O-N 2.86Å; Y238-T240 HydrophobicContact CD1-CG2 4.16Å; Y238-T240 HydrophobicContact CD2-CG2 4.32Å; Y238-T240 HydrophobicContact CE1-CG2 3.66Å; Y238-T240 HydrophobicContact CE2-CG2 3.85Å; Y238-T240 HydrophobicContact CG-CG2 4.49Å; Y238-T240 VanDerWaalsContact CZ-CG2 3.5Å
239	I	96.1	Very high	94.4	Very high	7 Å²	7	19.5 Å²	19.5	4%	0.036	10%	0.099	C	C	.	.			trans	-119.2	118.4	179.5	-55.5	170.9	0	0	0	107.9	Y141 E237 Y243 F244 Y261 A264 V265	Y141-I239 WeakPolarHBondContact CB-O 3.15Å; E237-I239 VanDerWaalsContact C-N 3.35Å; E237-I239 PolarHBondContact O-N 3.27Å; I239-Y243 HydrophobicContact CG2-CD1 3.56Å; I239-Y243 HydrophobicContact CG2-CE1 4.48Å; I239-Y243 HydrophobicContact CG2-CG 3.65Å; I239-F244 HydrophobicContact CB-CE2 4.17Å; I239-F244 HydrophobicContact CG2-CD2 4.27Å; I239-F244 HydrophobicContact CG2-CE2 3.61Å; I239-F244 HydrophobicContact CG2-CZ 4.07Å; I239-Y261 HydrophobicContact CB-CE1 4.29Å; I239-Y261 HydrophobicContact CD1-CD1 3.7Å; I239-Y261 HydrophobicContact CD1-CE1 4.17Å; I239-Y261 HydrophobicContact CD1-CG 4.03Å; I239-Y261 HydrophobicContact CG1-CD1 3.9Å; I239-Y261 HydrophobicContact CG1-CE1 3.83Å; I239-Y261 HydrophobicContact CG1-CG 4.37Å; I239-Y261 HydrophobicContact CG2-CD1 4.02Å; I239-Y261 HydrophobicContact CG2-CE1 3.65Å; I239-A264 HydrophobicContact CD1-CB 3.69Å; I239-V265 HydrophobicContact CD1-CG1 3.89Å
240	T	95.5	Very high	94.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.			trans	-109.9	-167.6	-167	76.5	0	0	0	0	113.7	Y141 E231 Y238 K242 Y243 F244	Y141-T240 HydrophobicContact CD1-CG2 4.37Å; Y141-T240 HydrophobicContact CD2-CG2 4.36Å; Y141-T240 HydrophobicContact CE1-CG2 4.17Å; Y141-T240 HydrophobicContact CE2-CG2 4.17Å; Y141-T240 VanDerWaalsContact CG-CA 3.49Å; Y141-T240 HydrophobicContact CG-CG2 4.48Å; E231-T240 WeakPolarHBondContact OE1-CA 3.07Å; E231-T240 VanDerWaalsContact OE1-CB 3.27Å; E231-T240 WeakPolarHBondContact OE1-CB 3.47Å; E231-T240 WeakPolarHBondContact OE1-CG2 3.15Å; E231-T240 PolarHBondContact OE1-N 3.05Å; E231-T240 PolarHBondContact OE1-OG1 3.14Å; E231-T240 VanDerWaalsContact OE2-CG2 3.3Å; E231-T240 WeakPolarHBondContact OE2-CG2 3.24Å; E231-T240 PolarHBondContact OE2-OG1 3.18Å; Y238-T240 HydrophobicContact CD1-CG2 4.16Å; Y238-T240 HydrophobicContact CD2-CG2 4.32Å; Y238-T240 HydrophobicContact CE1-CG2 3.66Å; Y238-T240 HydrophobicContact CE2-CG2 3.85Å; Y238-T240 HydrophobicContact CG-CG2 4.49Å; Y238-T240 VanDerWaalsContact CZ-CG2 3.5Å; T240-K242 PolarHBondContact O-N 3.38Å; T240-K242 VanDerWaalsContact O-N 3.13Å; T240-K242 PolarHBondContact OG1-N 3.01Å; T240-K242 PolarHBondContact OG1-NZ 3.18Å; T240-Y243 PolarHBondContact O-N 3.38Å; T240-Y243 VanDerWaalsContact O-N 3.09Å; T240-F244 VanDerWaalsContact O-CD2 3.29Å; T240-F244 WeakPolarHBondContact O-CD2 3.46Å; T240-F244 PolarHBondContact O-N 3.31Å
241	E	93	Very high	94.2	Very high	74 Å²	74	19.7 Å²	19.7	35%	0.346	10%	0.1	S	C	.	.	H	α-helix	trans	-54.8	-25.2	170.7	72.1	-69	153.6	0	0	113.1	Y141 Y243 D245	Y141-E241 VanDerWaalsContact CD1-OE2 3.27Å; Y141-E241 WeakPolarHBondContact CD1-OE2 3.36Å; Y141-E241 WeakPolarHBondContact CE1-OE2 3.49Å; E241-Y243 PolarHBondContact O-N 3Å; E241-D245 HydrophobicContact CB-CB 4.1Å; E241-D245 WeakPolarHBondContact O-CB 3.24Å; E241-D245 PolarHBondContact O-N 3.16Å; E241-D245 VanDerWaalsContact O-N 3.12Å
242	K	93.4	Very high	94.3	Very high	27 Å²	27	19.6 Å²	19.6	12%	0.117	10%	0.1	C	C	.	.	H	α-helix	trans	-58.9	-34.9	177.6	-67.1	173	-149.8	64	0	111.4	Y227 A229 F230 E231 T240	Y227-K242 WeakPolarHBondContact CE1-O 3.43Å; A229-K242 HydrophobicContact CB-CB 4.29Å; A229-K242 WeakPolarHBondContact CB-O 3.44Å; F230-K242 WeakPolarHBondContact O-CD 3.05Å; E231-K242 WeakPolarHBondContact OE2-CD 3.07Å; E231-K242 WeakPolarHBondContact OE2-CE 3.43Å; E231-K242 IonicContact OE2-NZ 3.2Å; E231-K242 PolarHBondContact OE2-NZ 3.42Å; T240-K242 PolarHBondContact O-N 3.38Å; T240-K242 VanDerWaalsContact O-N 3.13Å; T240-K242 PolarHBondContact OG1-N 3.01Å; T240-K242 PolarHBondContact OG1-NZ 3.18Å
243	Y	95.4	Very high	94.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-83.2	-60	174.7	174.9	-100.8	0	0	0	112.1	F144 I239 T240 E241 D245 L247 P253 V255 Y261 V265 S269 F270	F144-Y243 HydrophobicContact CE2-CE1 4.3Å; F144-Y243 HydrophobicContact CZ-CE1 4.48Å; I239-Y243 HydrophobicContact CG2-CD1 3.56Å; I239-Y243 HydrophobicContact CG2-CE1 4.48Å; I239-Y243 HydrophobicContact CG2-CG 3.65Å; T240-Y243 PolarHBondContact O-N 3.38Å; T240-Y243 VanDerWaalsContact O-N 3.09Å; E241-Y243 PolarHBondContact O-N 3Å; Y243-D245 PolarHBondContact O-N 3.07Å; Y243-L247 HydrophobicContact CD1-CD1 4.3Å; Y243-L247 HydrophobicContact CE1-CD1 3.67Å; Y243-L247 HydrophobicContact CE1-CG 4.48Å; Y243-L247 HydrophobicContact CE2-CD2 4.13Å; Y243-P253 HydrophobicContact CD2-CB 3.86Å; Y243-P253 HydrophobicContact CD2-CG 3.95Å; Y243-P253 HydrophobicContact CE2-CB 4.17Å; Y243-P253 HydrophobicContact CE2-CG 3.95Å; Y243-V255 HydrophobicContact CD2-CG1 4.15Å; Y243-Y261 HydrophobicContact CD2-CD1 4.19Å; Y243-Y261 HydrophobicContact CD2-CE1 4.05Å; Y243-Y261 HydrophobicContact CE2-CD1 4.46Å; Y243-Y261 HydrophobicContact CG-CD1 4.49Å; Y243-Y261 HydrophobicContact CG-CE1 4.19Å; Y243-V265 HydrophobicContact CD1-CG1 4.14Å; Y243-V265 HydrophobicContact CE1-CB 3.84Å; Y243-V265 HydrophobicContact CE1-CG1 3.48Å; Y243-V265 VanDerWaalsContact CE1-CG1 3.48Å; Y243-V265 HydrophobicContact CE1-CG2 4.06Å; Y243-V265 HydrophobicContact CE2-CG2 4.32Å; Y243-V265 WeakPolarHBondContact OH-CB 3.41Å; Y243-V265 WeakPolarHBondContact OH-CG2 3.35Å; Y243-S269 PolarHBondContact OH-OG 3.5Å; Y243-F270 HydrophobicContact CE2-CB 4.04Å; Y243-F270 HydrophobicContact CE2-CD1 4.35Å
244	F	94.2	Very high	94.4	Very high	9 Å²	9	18.5 Å²	18.5	4%	0.039	9%	0.094	C	C	.	.	H	α-helix	trans	-69.1	-32.8	-165.3	-71.7	-72.2	0	0	0	114.5	G142 F144 I239 T240 R246 L247 V265 V308	G142-F244 VanDerWaalsContact C-CZ 3.49Å; G142-F244 VanDerWaalsContact N-CD2 3.34Å; G142-F244 VanDerWaalsContact N-CE2 3.34Å; G142-F244 WeakPolarHBondContact O-CE1 3.34Å; G142-F244 WeakPolarHBondContact O-CZ 3.33Å; F144-F244 HydrophobicContact CE2-CE1 4.44Å; I239-F244 HydrophobicContact CB-CE2 4.17Å; I239-F244 HydrophobicContact CG2-CD2 4.27Å; I239-F244 HydrophobicContact CG2-CE2 3.61Å; I239-F244 HydrophobicContact CG2-CZ 4.07Å; T240-F244 VanDerWaalsContact O-CD2 3.29Å; T240-F244 WeakPolarHBondContact O-CD2 3.46Å; T240-F244 PolarHBondContact O-N 3.31Å; F244-R246 VanDerWaalsContact C-N 3.27Å; F244-R246 PolarHBondContact O-N 2.83Å; F244-L247 HydrophobicContact CD1-CD1 4.26Å; F244-L247 PolarHBondContact O-N 3.01Å; F244-V265 HydrophobicContact CE1-CG1 4.06Å; F244-V265 HydrophobicContact CZ-CG1 3.85Å; F244-V308 HydrophobicContact CB-CG1 4.45Å; F244-V308 HydrophobicContact CD1-CG1 4.13Å
245	D	89.3	Confident	94.4	Very high	32 Å²	32	18.2 Å²	18.2	17%	0.171	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-24.4	-156.9	-143	49.9	0	0	0	110.4	R213 E241 Y243	R213-D245 IonicContact NH2-OD1 3.64Å; E241-D245 HydrophobicContact CB-CB 4.1Å; E241-D245 WeakPolarHBondContact O-CB 3.24Å; E241-D245 PolarHBondContact O-N 3.16Å; E241-D245 VanDerWaalsContact O-N 3.12Å; Y243-D245 PolarHBondContact O-N 3.07Å
246	R	88.9	Confident	94.4	Very high	18 Å²	18	18.3 Å²	18.3	7%	0.068	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	2.8	-177.9	-53.1	-66.8	76.4	78.6	0.2	114.6	F244 N248 D249	F244-R246 VanDerWaalsContact C-N 3.27Å; F244-R246 PolarHBondContact O-N 2.83Å; R246-N248 PolarHBondContact O-N 2.82Å; R246-N248 VanDerWaalsContact O-N 3.12Å; R246-D249 WeakPolarHBondContact CA-OD2 3.38Å; R246-D249 WeakPolarHBondContact CD-OD2 3.39Å; R246-D249 IonicContact NE-OD2 3.54Å; R246-D249 PolarHBondContact NE-OD2 2.85Å; R246-D249 WeakPolarHBondContact O-CB 3.28Å; R246-D249 PolarHBondContact O-N 3.29Å
247	L	92.3	Very high	94.4	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-58.6	-29.7	-178.5	-75.2	175.7	0	0	0	113	F144 Y243 F244 D249 P253 W302 M303 V308	F144-L247 HydrophobicContact CE1-CD1 4.17Å; F144-L247 HydrophobicContact CE2-CD1 4.37Å; F144-L247 HydrophobicContact CZ-CD1 3.61Å; Y243-L247 HydrophobicContact CD1-CD1 4.3Å; Y243-L247 HydrophobicContact CE1-CD1 3.67Å; Y243-L247 HydrophobicContact CE1-CG 4.48Å; Y243-L247 HydrophobicContact CE2-CD2 4.13Å; F244-L247 HydrophobicContact CD1-CD1 4.26Å; F244-L247 PolarHBondContact O-N 3.01Å; L247-D249 VanDerWaalsContact C-N 3.3Å; L247-D249 PolarHBondContact O-N 3.5Å; L247-P253 HydrophobicContact CD2-CG 3.63Å; L247-W302 HydrophobicContact CB-CH2 4.02Å; L247-W302 HydrophobicContact CB-CZ2 4Å; L247-W302 HydrophobicContact CD2-CZ2 4.37Å; L247-M303 WeakPolarHBondContact O-CE 3.09Å; L247-V308 HydrophobicContact CB-CG2 3.94Å; L247-V308 HydrophobicContact CD1-CG1 4.03Å; L247-V308 HydrophobicContact CD1-CG2 3.73Å
248	N	91.2	Very high	94.4	Very high	89 Å²	89	15.9 Å²	15.9	48%	0.476	8%	0.076	S	C	.	.	G	3₁₀ helix	trans	-82.8	-1.2	177.3	-66.8	-41.6	0	0	0	114.2	R246 L250	R246-N248 PolarHBondContact O-N 2.82Å; R246-N248 VanDerWaalsContact O-N 3.12Å; N248-L250 VanDerWaalsContact C-N 3.3Å
249	D	92.7	Very high	94.3	Very high	16 Å²	16	23.3 Å²	23.3	9%	0.086	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-92.4	9.4	-175.8	-63.7	-30.6	0	0	0	112.8	K166 K221 R246 L247 V251	K166-D249 PolarHBondContact NZ-O 2.77Å; K221-D249 HydrophobicContact CB-CB 3.86Å; K221-D249 WeakPolarHBondContact CD-OD1 3.44Å; K221-D249 HydrophobicContact CG-CB 3.91Å; R246-D249 WeakPolarHBondContact CA-OD2 3.38Å; R246-D249 WeakPolarHBondContact CD-OD2 3.39Å; R246-D249 IonicContact NE-OD2 3.54Å; R246-D249 PolarHBondContact NE-OD2 2.85Å; R246-D249 WeakPolarHBondContact O-CB 3.28Å; R246-D249 PolarHBondContact O-N 3.29Å; L247-D249 VanDerWaalsContact C-N 3.3Å; L247-D249 PolarHBondContact O-N 3.5Å; D249-V251 HydrophobicContact CB-CG2 4.04Å; D249-V251 WeakPolarHBondContact O-CG2 3.32Å; D249-V251 PolarHBondContact O-N 2.85Å
250	L	94.6	Very high	94	Very high	4 Å²	4	24 Å²	24	2%	0.021	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	44.6	-173.8	-56.9	173.7	0	0	0	111.7	L159 Q162 V163 K166 N248 Y296 F300 M303	L159-L250 HydrophobicContact CD1-CD2 3.94Å; L159-L250 HydrophobicContact CD2-CD1 3.82Å; L159-L250 HydrophobicContact CD2-CD2 3.65Å; L159-L250 HydrophobicContact CD2-CG 4.3Å; L159-L250 HydrophobicContact CG-CD2 4.29Å; Q162-L250 HydrophobicContact CB-CD1 3.56Å; Q162-L250 HydrophobicContact CG-CD1 4.35Å; V163-L250 HydrophobicContact CG2-CB 4.37Å; V163-L250 HydrophobicContact CG2-CD1 4.38Å; K166-L250 WeakPolarHBondContact CE-O 3.42Å; K166-L250 PolarHBondContact NZ-O 2.8Å; N248-L250 VanDerWaalsContact C-N 3.3Å; L250-Y296 PolarHBondContact O-OH 3.05Å; L250-F300 HydrophobicContact CD2-CD1 4Å; L250-F300 HydrophobicContact CD2-CE1 4.36Å; L250-F300 HydrophobicContact CD2-CG 4.23Å; L250-M303 HydrophobicContact CD2-CE 3.94Å; L250-M303 HydrophobicContact CD2-SD 3.78Å
251	V	96.1	Very high	94	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	11%	0.113	C	C	.	.			trans	-124.5	129.4	-179.6	176.5	0	0	0	0	107	I220 Y224 K225 F226 D249 P253	I220-V251 HydrophobicContact CG2-CG1 4.35Å; I220-V251 HydrophobicContact CG2-CG2 3.73Å; Y224-V251 WeakPolarHBondContact O-CG2 3.47Å; K225-V251 WeakPolarHBondContact O-CA 3.43Å; F226-V251 VanDerWaalsContact C-CG1 3.49Å; D249-V251 HydrophobicContact CB-CG2 4.04Å; D249-V251 WeakPolarHBondContact O-CG2 3.32Å; D249-V251 PolarHBondContact O-N 2.85Å; V251-P253 WeakPolarHBondContact O-CD 3Å
252	I	98	Very high	94	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120	179.5	-54.1	171.5	0	0	0	108.6	K225 F226 Y227 I271 L289 Y296 Y299 F300	K225-I252 PolarHBondContact O-N 2.82Å; F226-I252 WeakPolarHBondContact CA-O 3.35Å; F226-I252 HydrophobicContact CD1-CB 4.04Å; F226-I252 HydrophobicContact CD1-CD1 4.44Å; F226-I252 HydrophobicContact CE1-CB 4.47Å; F226-I252 HydrophobicContact CE1-CD1 4.01Å; Y227-I252 PolarHBondContact N-O 2.99Å; I252-I271 HydrophobicContact CB-CD1 4.43Å; I252-I271 HydrophobicContact CG2-CD1 3.73Å; I252-I271 HydrophobicContact CG2-CG1 3.74Å; I252-L289 HydrophobicContact CD1-CD1 4.27Å; I252-Y296 HydrophobicContact CD1-CD2 3.47Å; I252-Y296 VanDerWaalsContact CD1-CD2 3.47Å; I252-Y296 HydrophobicContact CD1-CE2 3.36Å; I252-Y296 HydrophobicContact CD1-CG 4.18Å; I252-Y296 HydrophobicContact CG1-CD2 4.35Å; I252-Y296 HydrophobicContact CG1-CE2 3.76Å; I252-Y299 HydrophobicContact CD1-CD1 4.39Å; I252-Y299 HydrophobicContact CD1-CD2 3.56Å; I252-Y299 HydrophobicContact CD1-CE2 4.3Å; I252-Y299 HydrophobicContact CD1-CG 3.6Å; I252-Y299 HydrophobicContact CG1-CG 4.14Å; I252-Y299 HydrophobicContact CG2-CD1 3.94Å; I252-Y299 HydrophobicContact CG2-CE1 4.4Å; I252-Y299 HydrophobicContact CG2-CG 4.19Å; I252-F300 HydrophobicContact CD1-CE2 4.16Å; I252-F300 HydrophobicContact CG1-CE2 3.64Å; I252-F300 HydrophobicContact CG1-CZ 3.53Å
253	P	98.1	Very high	93.7	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.019	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	131.1	172.4	-17.4	31.9	0	0	0	111.1	Y227 A229 Y243 L247 V251 V255 S269 F270 I271	Y227-P253 CarbonylContact O-C 3.51Å; Y227-P253 WeakPolarHBondContact O-CA 3.43Å; A229-P253 HydrophobicContact CB-CB 3.92Å; Y243-P253 HydrophobicContact CD2-CB 3.86Å; Y243-P253 HydrophobicContact CD2-CG 3.95Å; Y243-P253 HydrophobicContact CE2-CB 4.17Å; Y243-P253 HydrophobicContact CE2-CG 3.95Å; L247-P253 HydrophobicContact CD2-CG 3.63Å; V251-P253 WeakPolarHBondContact O-CD 3Å; P253-V255 HydrophobicContact CB-CG1 4.26Å; P253-S269 VanDerWaalsContact CD-O 3.27Å; P253-S269 WeakPolarHBondContact CD-O 3.39Å; P253-F270 WeakPolarHBondContact O-CA 3.42Å; P253-I271 PolarHBondContact O-N 3.2Å
254	I	98.6	Very high	93.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.6	167	-55.5	166.9	0	0	0	107.2	V170 F226 Y227 I228 A229 F230 I271 V273 L282 L286	V170-I254 HydrophobicContact CG1-CD1 4.2Å; F226-I254 HydrophobicContact CB-CD1 3.88Å; F226-I254 HydrophobicContact CB-CG1 4.37Å; Y227-I254 PolarHBondContact O-N 2.78Å; I228-I254 HydrophobicContact CG1-CD1 4.29Å; A229-I254 PolarHBondContact N-O 3.12Å; F230-I254 HydrophobicContact CE1-CG2 3.94Å; F230-I254 HydrophobicContact CZ-CG2 4.19Å; I254-I271 CarbonylContact C-O 3.34Å; I254-I271 WeakPolarHBondContact CA-O 3.41Å; I254-V273 HydrophobicContact CG2-CG1 3.78Å; I254-L282 HydrophobicContact CG2-CD2 4.17Å; I254-L286 HydrophobicContact CD1-CD1 3.64Å; I254-L286 HydrophobicContact CD1-CD2 4.03Å; I254-L286 HydrophobicContact CD1-CG 4.5Å; I254-L286 HydrophobicContact CG1-CD2 4.38Å
255	V	97.8	Very high	93.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	168.6	-173.3	-57.9	0	0	0	0	110.7	A229 Y243 P253 Y261 F270 I271 A272 V273	A229-V255 HydrophobicContact CB-CG1 4.17Å; Y243-V255 HydrophobicContact CD2-CG1 4.15Å; P253-V255 HydrophobicContact CB-CG1 4.26Å; V255-Y261 HydrophobicContact CB-CD1 4.21Å; V255-Y261 HydrophobicContact CB-CD2 4.02Å; V255-Y261 HydrophobicContact CB-CE1 3.8Å; V255-Y261 HydrophobicContact CB-CE2 3.61Å; V255-Y261 HydrophobicContact CB-CG 4.32Å; V255-Y261 VanDerWaalsContact CB-CZ 3.48Å; V255-Y261 HydrophobicContact CG1-CD1 3.93Å; V255-Y261 HydrophobicContact CG1-CE1 3.42Å; V255-Y261 VanDerWaalsContact CG1-CE1 3.42Å; V255-Y261 HydrophobicContact CG1-CE2 4.21Å; V255-Y261 HydrophobicContact CG2-CD1 4.21Å; V255-Y261 HydrophobicContact CG2-CD2 3.82Å; V255-Y261 HydrophobicContact CG2-CE1 4.31Å; V255-Y261 HydrophobicContact CG2-CE2 3.95Å; V255-Y261 HydrophobicContact CG2-CG 3.97Å; V255-F270 HydrophobicContact CG1-CB 4.25Å; V255-F270 HydrophobicContact CG2-CB 4.11Å; V255-F270 HydrophobicContact CG2-CD2 3.39Å; V255-F270 HydrophobicContact CG2-CE2 4.06Å; V255-F270 HydrophobicContact CG2-CG 3.96Å; V255-I271 PolarHBondContact N-O 2.8Å; V255-A272 HydrophobicContact CG2-CB 4.03Å; V255-A272 CarbonylContact O-C 3.55Å; V255-A272 WeakPolarHBondContact O-CA 3.48Å; V255-V273 WeakPolarHBondContact O-CG1 3.06Å; V255-V273 PolarHBondContact O-N 3.36Å
256	F	95.1	Very high	93.5	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	17%	0.165	C	C	.	.	S	Bend	trans	-72.6	-86	-177.7	-85.6	-51.3	0	0	0	113.5	R183 Y186 F230 V234 V273 D274 Y358	R183-F256 HydrophobicContact CB-CE2 3.76Å; R183-F256 HydrophobicContact CB-CZ 3.49Å; R183-F256 VanDerWaalsContact CB-CZ 3.49Å; Y186-F256 HydrophobicContact CD2-CE1 4.39Å; Y186-F256 HydrophobicContact CG-CE1 4.35Å; F230-F256 HydrophobicContact CB-CD2 4.23Å; F230-F256 HydrophobicContact CB-CE2 3.69Å; F230-F256 HydrophobicContact CB-CZ 3.99Å; F230-F256 HydrophobicContact CD1-CD1 4.14Å; F230-F256 HydrophobicContact CD1-CD2 4.17Å; F230-F256 HydrophobicContact CD1-CE1 4.12Å; F230-F256 HydrophobicContact CD1-CE2 4.19Å; F230-F256 HydrophobicContact CD1-CG 4.16Å; F230-F256 HydrophobicContact CD1-CZ 4.15Å; F230-F256 HydrophobicContact CD2-CE1 4.05Å; F230-F256 HydrophobicContact CD2-CE2 4.35Å; F230-F256 AromaticContact CD2-CZ 3.79Å; F230-F256 HydrophobicContact CD2-CZ 3.79Å; F230-F256 HydrophobicContact CE1-CD1 4.13Å; F230-F256 HydrophobicContact CE1-CE1 4.17Å; F230-F256 HydrophobicContact CE1-CG 4.49Å; F230-F256 HydrophobicContact CE2-CE1 4.1Å; F230-F256 HydrophobicContact CE2-CZ 4.29Å; F230-F256 HydrophobicContact CG-CD2 4.27Å; F230-F256 HydrophobicContact CG-CE1 4.07Å; F230-F256 AromaticContact CG-CE2 3.84Å; F230-F256 HydrophobicContact CG-CE2 3.84Å; F230-F256 AromaticContact CG-CZ 3.72Å; F230-F256 HydrophobicContact CG-CZ 3.72Å; F230-F256 HydrophobicContact CZ-CD1 4.48Å; F230-F256 HydrophobicContact CZ-CE1 4.17Å; V234-F256 HydrophobicContact CG2-CB 4.47Å; V234-F256 HydrophobicContact CG2-CD2 3.47Å; V234-F256 VanDerWaalsContact CG2-CD2 3.47Å; V234-F256 HydrophobicContact CG2-CE2 3.93Å; V234-F256 HydrophobicContact CG2-CG 4.19Å; F256-V273 HydrophobicContact CD1-CG2 3.93Å; F256-V273 WeakPolarHBondContact O-CG2 3.26Å; F256-V273 PolarHBondContact O-N 3.38Å; F256-D274 PolarHBondContact O-N 3.28Å; F256-Y358 HydrophobicContact CB-CD1 3.77Å; F256-Y358 HydrophobicContact CB-CE1 3.59Å; F256-Y358 AromaticContact CD1-CD1 3.73Å; F256-Y358 HydrophobicContact CD1-CD1 3.73Å; F256-Y358 AromaticContact CD1-CE1 3.99Å; F256-Y358 HydrophobicContact CD1-CE1 3.99Å; F256-Y358 HydrophobicContact CD2-CD1 4.41Å; F256-Y358 HydrophobicContact CE1-CD1 4.43Å; F256-Y358 AromaticContact CG-CD1 3.73Å; F256-Y358 HydrophobicContact CG-CD1 3.73Å; F256-Y358 HydrophobicContact CG-CE1 4Å
257	G	91.6	Very high	93.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	18%	0.18	C	C	.	.			trans	-106.4	126.3	-171	0	0	0	0	0	112.9	K259 I260 Y261 D274 Y358	G257-K259 VanDerWaalsContact C-N 3.29Å; G257-K259 PolarHBondContact O-N 3.3Å; G257-I260 WeakPolarHBondContact O-CB 3.39Å; G257-I260 PolarHBondContact O-N 3.47Å; G257-Y261 WeakPolarHBondContact O-CD2 3.44Å; G257-D274 VanDerWaalsContact CA-CG 3.5Å; G257-D274 WeakPolarHBondContact CA-OD1 3.37Å; G257-D274 VanDerWaalsContact CA-OD2 3.24Å; G257-D274 WeakPolarHBondContact CA-OD2 3.5Å; G257-Y358 WeakPolarHBondContact CA-OH 3.33Å
258	R	95	Very high	93.4	Very high	43 Å²	43	39.4 Å²	39.4	16%	0.162	21%	0.208	C	C	.	.	H	α-helix	trans	-53.3	-45.1	-178.5	177	165	-66.8	-78.8	-2.8	112.5	I260 Y261 E262 N267 F270 A272 D274 D275	R258-I260 PolarHBondContact O-N 2.98Å; R258-I260 VanDerWaalsContact O-N 3.12Å; R258-Y261 PolarHBondContact O-N 3.01Å; R258-E262 HydrophobicContact CG-CB 4.22Å; R258-E262 WeakPolarHBondContact CG-OE2 3.23Å; R258-E262 WeakPolarHBondContact O-CB 3.14Å; R258-E262 PolarHBondContact O-N 3.26Å; R258-N267 VanDerWaalsContact NH1-CG 3.32Å; R258-N267 PolarHBondContact NH1-O 3Å; R258-N267 VanDerWaalsContact NH1-O 3.09Å; R258-N267 PolarHBondContact NH1-OD1 2.74Å; R258-F270 HydrophobicContact CB-CE2 4.49Å; R258-F270 HydrophobicContact CG-CE2 4.25Å; R258-F270 HydrophobicContact CG-CZ 4.36Å; R258-A272 HydrophobicContact CB-CB 3.74Å; R258-D274 PolarHBondContact N-OD1 2.8Å; R258-D274 PolarHBondContact N-OD2 2.77Å; R258-D275 IonicContact CZ-OD1 3.22Å; R258-D275 IonicContact CZ-OD2 3.26Å; R258-D275 VanDerWaalsContact CZ-OD2 3.24Å; R258-D275 IonicContact NE-OD1 2.66Å; R258-D275 PolarHBondContact NE-OD1 3.2Å; R258-D275 IonicContact NE-OD2 2.69Å; R258-D275 PolarHBondContact NE-OD2 2.98Å; R258-D275 IonicContact NH2-OD1 2.68Å; R258-D275 IonicContact NH2-OD2 2.97Å; R258-D275 PolarHBondContact NH2-OD2 3.24Å
259	K	92.6	Very high	93.6	Very high	161 Å²	161	35.2 Å²	35.2	70%	0.7	19%	0.186	S	C	*	.	H	α-helix	trans	-58.9	-25.7	-179.2	-70.6	-173.1	176.2	-179.8	0	114.6	G257 Y261	G257-K259 VanDerWaalsContact C-N 3.29Å; G257-K259 PolarHBondContact O-N 3.3Å; K259-Y261 VanDerWaalsContact C-N 3.35Å
260	I	91.2	Very high	93.9	Very high	22 Å²	22	34.5 Å²	34.5	11%	0.113	18%	0.182	C	C	.	.	H	α-helix	trans	-75.9	-30.5	178.4	-61.5	173.6	0	0	0	110.5	V234 G257 R258	V234-I260 HydrophobicContact CG1-CD1 3.15Å; G257-I260 WeakPolarHBondContact O-CB 3.39Å; G257-I260 PolarHBondContact O-N 3.47Å; R258-I260 PolarHBondContact O-N 2.98Å; R258-I260 VanDerWaalsContact O-N 3.12Å
261	Y	94.3	Very high	94.1	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.02	18%	0.181	C	C	.	.	H	α-helix	trans	-98.8	-43.1	-173.6	-72.8	-103.3	0	0	0	112.2	I239 Y243 V255 G257 R258 K259 T263 A264 V265	I239-Y261 HydrophobicContact CB-CE1 4.29Å; I239-Y261 HydrophobicContact CD1-CD1 3.7Å; I239-Y261 HydrophobicContact CD1-CE1 4.17Å; I239-Y261 HydrophobicContact CD1-CG 4.03Å; I239-Y261 HydrophobicContact CG1-CD1 3.9Å; I239-Y261 HydrophobicContact CG1-CE1 3.83Å; I239-Y261 HydrophobicContact CG1-CG 4.37Å; I239-Y261 HydrophobicContact CG2-CD1 4.02Å; I239-Y261 HydrophobicContact CG2-CE1 3.65Å; Y243-Y261 HydrophobicContact CD2-CD1 4.19Å; Y243-Y261 HydrophobicContact CD2-CE1 4.05Å; Y243-Y261 HydrophobicContact CE2-CD1 4.46Å; Y243-Y261 HydrophobicContact CG-CD1 4.49Å; Y243-Y261 HydrophobicContact CG-CE1 4.19Å; V255-Y261 HydrophobicContact CB-CD1 4.21Å; V255-Y261 HydrophobicContact CB-CD2 4.02Å; V255-Y261 HydrophobicContact CB-CE1 3.8Å; V255-Y261 HydrophobicContact CB-CE2 3.61Å; V255-Y261 HydrophobicContact CB-CG 4.32Å; V255-Y261 VanDerWaalsContact CB-CZ 3.48Å; V255-Y261 HydrophobicContact CG1-CD1 3.93Å; V255-Y261 HydrophobicContact CG1-CE1 3.42Å; V255-Y261 VanDerWaalsContact CG1-CE1 3.42Å; V255-Y261 HydrophobicContact CG1-CE2 4.21Å; V255-Y261 HydrophobicContact CG2-CD1 4.21Å; V255-Y261 HydrophobicContact CG2-CD2 3.82Å; V255-Y261 HydrophobicContact CG2-CE1 4.31Å; V255-Y261 HydrophobicContact CG2-CE2 3.95Å; V255-Y261 HydrophobicContact CG2-CG 3.97Å; G257-Y261 WeakPolarHBondContact O-CD2 3.44Å; R258-Y261 PolarHBondContact O-N 3.01Å; K259-Y261 VanDerWaalsContact C-N 3.35Å; Y261-T263 PolarHBondContact O-N 3.45Å; Y261-A264 PolarHBondContact O-N 3.44Å; Y261-V265 HydrophobicContact CD1-CG2 4.29Å; Y261-V265 WeakPolarHBondContact O-CG2 3.48Å; Y261-V265 PolarHBondContact O-N 2.68Å
262	E	92.8	Very high	94.2	Very high	82 Å²	82	34.2 Å²	34.2	38%	0.383	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-21.8	-172	73.6	-175	173	0	0	114.6	R258	R258-E262 HydrophobicContact CG-CB 4.22Å; R258-E262 WeakPolarHBondContact CG-OE2 3.23Å; R258-E262 WeakPolarHBondContact O-CB 3.14Å; R258-E262 PolarHBondContact O-N 3.26Å
263	T	87.4	Confident	94.2	Very high	100 Å²	100	34.2 Å²	34.2	61%	0.613	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-21.2	177	56.8	0	0	0	0	113.4	Y261	Y261-T263 PolarHBondContact O-N 3.45Å
264	A	87.7	Confident	94.1	Very high	54 Å²	54	37 Å²	37	45%	0.446	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-21.6	-172.9	0	0	0	0	0	113.5	I239 Y261	I239-A264 HydrophobicContact CD1-CB 3.69Å; Y261-A264 PolarHBondContact O-N 3.44Å
265	V	93.2	Very high	94.1	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.067	21%	0.214	C	C	.	.	S	Bend	trans	-135.6	169.3	-175.9	-49.5	0	0	0	0	111.6	F144 I239 Y243 F244 Y261 N267 F270	F144-V265 HydrophobicContact CE2-CB 3.86Å; F144-V265 HydrophobicContact CE2-CG1 4.34Å; I239-V265 HydrophobicContact CD1-CG1 3.89Å; Y243-V265 HydrophobicContact CD1-CG1 4.14Å; Y243-V265 HydrophobicContact CE1-CB 3.84Å; Y243-V265 HydrophobicContact CE1-CG1 3.48Å; Y243-V265 VanDerWaalsContact CE1-CG1 3.48Å; Y243-V265 HydrophobicContact CE1-CG2 4.06Å; Y243-V265 HydrophobicContact CE2-CG2 4.32Å; Y243-V265 WeakPolarHBondContact OH-CB 3.41Å; Y243-V265 WeakPolarHBondContact OH-CG2 3.35Å; F244-V265 HydrophobicContact CE1-CG1 4.06Å; F244-V265 HydrophobicContact CZ-CG1 3.85Å; Y261-V265 HydrophobicContact CD1-CG2 4.29Å; Y261-V265 WeakPolarHBondContact O-CG2 3.48Å; Y261-V265 PolarHBondContact O-N 2.68Å; V265-N267 PolarHBondContact O-N 3.48Å; V265-F270 HydrophobicContact CG2-CD1 3.69Å; V265-F270 HydrophobicContact CG2-CE1 3.53Å
266	L	93.6	Very high	94.1	Very high	47 Å²	47	42 Å²	42	25%	0.246	22%	0.22	C	C	.	.			trans	-72.2	125.1	-177.2	-59.7	177.9	0	0	0	111.6	F144 N268 S269 W302 Y306	F144-L266 HydrophobicContact CB-CD1 4.3Å; F144-L266 HydrophobicContact CB-CG 4.48Å; F144-L266 HydrophobicContact CD1-CD1 3.42Å; F144-L266 VanDerWaalsContact CD1-CD1 3.42Å; F144-L266 HydrophobicContact CD1-CG 4Å; F144-L266 HydrophobicContact CD2-CD1 4.29Å; F144-L266 HydrophobicContact CD2-CG 3.94Å; F144-L266 HydrophobicContact CE1-CD1 3.7Å; F144-L266 HydrophobicContact CE1-CG 4.17Å; F144-L266 HydrophobicContact CE2-CG 4.16Å; F144-L266 HydrophobicContact CG-CD1 3.73Å; F144-L266 HydrophobicContact CG-CG 3.87Å; F144-L266 HydrophobicContact CZ-CB 4.43Å; F144-L266 HydrophobicContact CZ-CD1 4.25Å; F144-L266 HydrophobicContact CZ-CG 4.24Å; L266-N268 PolarHBondContact O-N 3.32Å; L266-S269 WeakPolarHBondContact O-CB 3.1Å; L266-S269 PolarHBondContact O-N 2.81Å; L266-S269 PolarHBondContact O-OG 2.81Å; L266-W302 HydrophobicContact CD1-CB 3.5Å; L266-W302 HydrophobicContact CD1-CG 4.11Å; L266-Y306 HydrophobicContact CD1-CD2 3.56Å; L266-Y306 HydrophobicContact CD1-CE2 3.95Å; L266-Y306 HydrophobicContact CD1-CG 4Å; L266-Y306 HydrophobicContact CD2-CE2 4.42Å
267	N	87.9	Confident	94.2	Very high	74 Å²	74	49.9 Å²	49.9	40%	0.396	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-54.6	-33.1	-171.2	-156.3	35.3	0	0	0	115.1	R258 V265	R258-N267 VanDerWaalsContact NH1-CG 3.32Å; R258-N267 PolarHBondContact NH1-O 3Å; R258-N267 VanDerWaalsContact NH1-O 3.09Å; R258-N267 PolarHBondContact NH1-OD1 2.74Å; V265-N267 PolarHBondContact O-N 3.48Å
268	N	91.7	Very high	94.5	Very high	111 Å²	111	50.2 Å²	50.2	59%	0.594	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-98.4	34.3	-179.5	-67.1	-19.8	0	0	0	112.6	L266 Y299	L266-N268 PolarHBondContact O-N 3.32Å; N268-Y299 CarbonylContact O-C 3.6Å; N268-Y299 VanDerWaalsContact O-CA 3.28Å; N268-Y299 WeakPolarHBondContact O-CA 3.26Å; N268-Y299 VanDerWaalsContact O-O 3.1Å
269	S	96.6	Very high	94.6	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-122.9	6.2	177.1	62.3	0	0	0	0	113.8	Y243 P253 L266	Y243-S269 PolarHBondContact OH-OG 3.5Å; P253-S269 VanDerWaalsContact CD-O 3.27Å; P253-S269 WeakPolarHBondContact CD-O 3.39Å; L266-S269 WeakPolarHBondContact O-CB 3.1Å; L266-S269 PolarHBondContact O-N 2.81Å; L266-S269 PolarHBondContact O-OG 2.81Å
270	F	97.9	Very high	94.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	C	.	.			trans	-151.3	162.7	177.6	60.2	-90.7	0	0	0	111.9	Y243 P253 V255 R258 V265 A272 Y299	Y243-F270 HydrophobicContact CE2-CB 4.04Å; Y243-F270 HydrophobicContact CE2-CD1 4.35Å; P253-F270 WeakPolarHBondContact O-CA 3.42Å; V255-F270 HydrophobicContact CG1-CB 4.25Å; V255-F270 HydrophobicContact CG2-CB 4.11Å; V255-F270 HydrophobicContact CG2-CD2 3.39Å; V255-F270 HydrophobicContact CG2-CE2 4.06Å; V255-F270 HydrophobicContact CG2-CG 3.96Å; R258-F270 HydrophobicContact CB-CE2 4.49Å; R258-F270 HydrophobicContact CG-CE2 4.25Å; R258-F270 HydrophobicContact CG-CZ 4.36Å; V265-F270 HydrophobicContact CG2-CD1 3.69Å; V265-F270 HydrophobicContact CG2-CE1 3.53Å; F270-A272 HydrophobicContact CD2-CB 4.2Å; F270-A272 HydrophobicContact CE2-CB 4.04Å; F270-Y299 WeakPolarHBondContact O-CE1 3.48Å
271	I	98.5	Very high	95.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.9	168.5	-66.1	166.5	0	0	0	107.2	F226 I252 P253 I254 V255 F276 L282 Y285 L286 L289 Y299	F226-I271 HydrophobicContact CD1-CD1 4.25Å; F226-I271 HydrophobicContact CE1-CD1 4.15Å; I252-I271 HydrophobicContact CB-CD1 4.43Å; I252-I271 HydrophobicContact CG2-CD1 3.73Å; I252-I271 HydrophobicContact CG2-CG1 3.74Å; P253-I271 PolarHBondContact O-N 3.2Å; I254-I271 CarbonylContact C-O 3.34Å; I254-I271 WeakPolarHBondContact CA-O 3.41Å; V255-I271 PolarHBondContact N-O 2.8Å; I271-F276 HydrophobicContact CG2-CE2 3.51Å; I271-F276 HydrophobicContact CG2-CZ 3.88Å; I271-L282 HydrophobicContact CG2-CD1 3.66Å; I271-Y285 HydrophobicContact CD1-CD1 4.36Å; I271-Y285 HydrophobicContact CD1-CE1 4.07Å; I271-Y285 HydrophobicContact CG1-CE1 4.28Å; I271-L286 HydrophobicContact CD1-CD2 3.69Å; I271-L289 HydrophobicContact CD1-CD1 3.63Å; I271-Y299 HydrophobicContact CG1-CE1 3.78Å
272	A	98	Very high	95.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	140.2	175.4	0	0	0	0	0	110	V255 R258 F270 D274 D275 F276	V255-A272 HydrophobicContact CG2-CB 4.03Å; V255-A272 CarbonylContact O-C 3.55Å; V255-A272 WeakPolarHBondContact O-CA 3.48Å; R258-A272 HydrophobicContact CB-CB 3.74Å; F270-A272 HydrophobicContact CD2-CB 4.2Å; F270-A272 HydrophobicContact CE2-CB 4.04Å; A272-D274 VanDerWaalsContact C-N 3.3Å; A272-D274 VanDerWaalsContact CB-OD1 3.23Å; A272-D274 WeakPolarHBondContact CB-OD1 3.22Å; A272-D274 PolarHBondContact O-N 3.35Å; A272-D275 WeakPolarHBondContact O-CB 3.47Å; A272-D275 PolarHBondContact O-N 3.33Å; A272-F276 WeakPolarHBondContact O-CD2 3.01Å; A272-F276 WeakPolarHBondContact O-CE2 3.33Å
273	V	98.3	Very high	95.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-73.1	-26.1	-176.8	-54.9	0	0	0	0	113	Y186 F230 I254 V255 F256 D275 F276 L282 V362 H363	Y186-V273 HydrophobicContact CD2-CG2 4.43Å; Y186-V273 HydrophobicContact CE1-CB 4.33Å; Y186-V273 HydrophobicContact CE1-CG1 3.9Å; Y186-V273 HydrophobicContact CE2-CB 4.01Å; Y186-V273 HydrophobicContact CE2-CG1 4.39Å; Y186-V273 HydrophobicContact CE2-CG2 3.74Å; Y186-V273 WeakPolarHBondContact OH-CB 3.35Å; F230-V273 HydrophobicContact CE1-CG1 3.72Å; F230-V273 HydrophobicContact CZ-CG1 3.68Å; I254-V273 HydrophobicContact CG2-CG1 3.78Å; V255-V273 WeakPolarHBondContact O-CG1 3.06Å; V255-V273 PolarHBondContact O-N 3.36Å; F256-V273 HydrophobicContact CD1-CG2 3.93Å; F256-V273 WeakPolarHBondContact O-CG2 3.26Å; F256-V273 PolarHBondContact O-N 3.38Å; V273-D275 PolarHBondContact O-N 2.81Å; V273-F276 PolarHBondContact O-N 3.29Å; V273-L282 HydrophobicContact CB-CD2 4.33Å; V273-L282 HydrophobicContact CG1-CD2 3.69Å; V273-V362 HydrophobicContact CG2-CG1 4.19Å; V273-V362 HydrophobicContact CG2-CG2 4.12Å; V273-H363 PolarHBondContact O-CE1 3.25Å; V273-H363 PolarHBondContact O-NE2 2.84Å
274	D	96.6	Very high	96.3	Very high	61 Å²	61	41.3 Å²	41.3	33%	0.326	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-74.4	-1.7	177.2	67.1	-23.4	0	0	0	113.9	F256 G257 R258 A272 V362	F256-D274 PolarHBondContact O-N 3.28Å; G257-D274 VanDerWaalsContact CA-CG 3.5Å; G257-D274 WeakPolarHBondContact CA-OD1 3.37Å; G257-D274 VanDerWaalsContact CA-OD2 3.24Å; G257-D274 WeakPolarHBondContact CA-OD2 3.5Å; R258-D274 PolarHBondContact N-OD1 2.8Å; R258-D274 PolarHBondContact N-OD2 2.77Å; A272-D274 VanDerWaalsContact C-N 3.3Å; A272-D274 VanDerWaalsContact CB-OD1 3.23Å; A272-D274 WeakPolarHBondContact CB-OD1 3.22Å; A272-D274 PolarHBondContact O-N 3.35Å; D274-V362 HydrophobicContact CB-CG2 3.84Å
275	D	97.6	Very high	96.8	Very high	72 Å²	72	41.8 Å²	41.8	39%	0.385	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-78.8	-5.7	169.2	-63.3	-38	0	0	0	112.9	R258 A272 V273	R258-D275 IonicContact CZ-OD1 3.22Å; R258-D275 IonicContact CZ-OD2 3.26Å; R258-D275 VanDerWaalsContact CZ-OD2 3.24Å; R258-D275 IonicContact NE-OD1 2.66Å; R258-D275 PolarHBondContact NE-OD1 3.2Å; R258-D275 IonicContact NE-OD2 2.69Å; R258-D275 PolarHBondContact NE-OD2 2.98Å; R258-D275 IonicContact NH2-OD1 2.68Å; R258-D275 IonicContact NH2-OD2 2.97Å; R258-D275 PolarHBondContact NH2-OD2 3.24Å; A272-D275 WeakPolarHBondContact O-CB 3.47Å; A272-D275 PolarHBondContact O-N 3.33Å; V273-D275 PolarHBondContact O-N 2.81Å
276	F	98.4	Very high	97.1	Very high	33 Å²	33	41.2 Å²	41.2	15%	0.145	22%	0.216	C	C	.	.	S	Bend	trans	-124.7	151.9	-170.7	-58.4	-85.4	0	0	0	112.3	I271 A272 V273 G278 A281 L282 Y285 H363	I271-F276 HydrophobicContact CG2-CE2 3.51Å; I271-F276 HydrophobicContact CG2-CZ 3.88Å; A272-F276 WeakPolarHBondContact O-CD2 3.01Å; A272-F276 WeakPolarHBondContact O-CE2 3.33Å; V273-F276 PolarHBondContact O-N 3.29Å; F276-G278 PolarHBondContact O-N 3.32Å; F276-A281 HydrophobicContact CB-CB 4.05Å; F276-A281 HydrophobicContact CD1-CB 4.5Å; F276-L282 HydrophobicContact CB-CB 4.32Å; F276-L282 HydrophobicContact CD2-CB 4.1Å; F276-L282 HydrophobicContact CD2-CD1 3.83Å; F276-L282 HydrophobicContact CE2-CD1 3.63Å; F276-L282 HydrophobicContact CG-CB 4.07Å; F276-L282 HydrophobicContact CG-CD1 4.5Å; F276-L282 HydrophobicContact CZ-CD1 4.14Å; F276-Y285 VanDerWaalsContact CE1-CB 3.4Å; F276-Y285 AromaticContact CE1-CD1 3.65Å; F276-Y285 HydrophobicContact CE1-CD1 3.65Å; F276-Y285 HydrophobicContact CE1-CD2 4.16Å; F276-Y285 HydrophobicContact CE1-CE1 4.45Å; F276-Y285 AromaticContact CE1-CG 3.46Å; F276-Y285 HydrophobicContact CE1-CG 3.46Å; F276-Y285 VanDerWaalsContact CE1-CG 3.46Å; F276-Y285 AromaticContact CZ-CD1 3.36Å; F276-Y285 HydrophobicContact CZ-CD1 3.36Å; F276-Y285 AromaticContact CZ-CE1 3.95Å; F276-Y285 HydrophobicContact CZ-CE1 3.95Å; F276-Y285 AromaticContact CZ-CG 3.73Å; F276-Y285 HydrophobicContact CZ-CG 3.73Å; F276-H363 PolarHBondContact O-NE2 3.41Å
277	D	97.1	Very high	97.3	Very high	168 Å²	168	41 Å²	41	90%	0.898	22%	0.215	S	C	*	.	S	Bend	trans	-78.7	52.9	173.2	-62.9	-35	0	0	0	111.9
278	G	97.8	Very high	97.9	Very high	8 Å²	8	42.8 Å²	42.8	8%	0.082	22%	0.217	C	C	.	.	S	Bend	trans	106.8	170.7	176.8	0	0	0	0	0	116.3	F276 K280 A281 L282 H363	F276-G278 PolarHBondContact O-N 3.32Å; G278-K280 PolarHBondContact O-N 3.23Å; G278-A281 PolarHBondContact O-N 3.03Å; G278-A281 VanDerWaalsContact O-N 3.15Å; G278-L282 PolarHBondContact O-N 3.12Å; G278-L282 VanDerWaalsContact O-N 3.15Å; G278-H363 WeakPolarHBondContact CA-ND1 3.47Å
279	P	98.3	Very high	98.2	Very high	9 Å²	9	37.5 Å²	37.5	6%	0.058	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-29.3	-177	-25.4	35.3	0	0	0	114.5	Y186 V189 L190 Y193 A283 L365	Y186-P279 HydrophobicContact CE1-CB 4.36Å; Y186-P279 HydrophobicContact CE1-CG 4.28Å; Y186-P279 HydrophobicContact CE2-CG 4.17Å; V189-P279 HydrophobicContact CB-CG 4.28Å; V189-P279 HydrophobicContact CG1-CB 4.11Å; V189-P279 HydrophobicContact CG1-CG 3.83Å; L190-P279 HydrophobicContact CB-CB 4.28Å; L190-P279 HydrophobicContact CD1-CB 4.16Å; L190-P279 WeakPolarHBondContact CD1-O 3.34Å; Y193-P279 HydrophobicContact CD2-CB 4.29Å; Y193-P279 HydrophobicContact CE2-CB 4.38Å; P279-A283 WeakPolarHBondContact O-CB 3.28Å; P279-A283 PolarHBondContact O-N 2.73Å; P279-L365 HydrophobicContact CG-CD1 4.17Å; P279-L365 HydrophobicContact CG-CD2 3.76Å
280	K	98.6	Very high	98.2	Very high	106 Å²	106	39.8 Å²	39.8	46%	0.461	20%	0.201	S	C	.	.	H	α-helix	trans	-67.6	-46.7	175.7	-174.3	-176.3	179.6	-59.7	0	111.8	Y193 G278 L282 A283 D284	Y193-K280 HydrophobicContact CD1-CB 3.81Å; Y193-K280 HydrophobicContact CD1-CD 4.1Å; Y193-K280 HydrophobicContact CD1-CG 3.64Å; Y193-K280 HydrophobicContact CD2-CB 4Å; Y193-K280 HydrophobicContact CE1-CB 3.82Å; Y193-K280 HydrophobicContact CE1-CD 3.96Å; Y193-K280 HydrophobicContact CE1-CG 3.88Å; Y193-K280 HydrophobicContact CE2-CB 4.02Å; Y193-K280 HydrophobicContact CG-CB 3.9Å; Y193-K280 HydrophobicContact CG-CG 4.05Å; G278-K280 PolarHBondContact O-N 3.23Å; K280-L282 VanDerWaalsContact C-N 3.3Å; K280-L282 PolarHBondContact O-N 3.35Å; K280-A283 WeakPolarHBondContact O-CB 3.48Å; K280-A283 PolarHBondContact O-N 3.23Å; K280-A283 VanDerWaalsContact O-N 3.12Å; K280-D284 IonicContact NZ-OD1 2.65Å; K280-D284 IonicContact NZ-OD2 2.68Å; K280-D284 PolarHBondContact NZ-OD2 3.44Å; K280-D284 PolarHBondContact O-N 2.7Å
281	A	98.7	Very high	98.2	Very high	33 Å²	33	49.4 Å²	49.4	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-63.2	-39.1	178.6	0	0	0	0	0	111.2	F276 G278 D284 Y285	F276-A281 HydrophobicContact CB-CB 4.05Å; F276-A281 HydrophobicContact CD1-CB 4.5Å; G278-A281 PolarHBondContact O-N 3.03Å; G278-A281 VanDerWaalsContact O-N 3.15Å; A281-D284 PolarHBondContact O-N 2.92Å; A281-Y285 PolarHBondContact O-N 3.18Å
282	L	98.7	Very high	98.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58	-50.7	169.3	173.4	64.1	0	0	0	111.3	Y186 L190 I254 I271 V273 F276 G278 K280 D284 Y285 L286	Y186-L282 HydrophobicContact CE1-CD2 4.01Å; L190-L282 HydrophobicContact CD1-CD2 4.12Å; L190-L282 HydrophobicContact CD1-CG 4.43Å; L190-L282 HydrophobicContact CD2-CD2 4.29Å; I254-L282 HydrophobicContact CG2-CD2 4.17Å; I271-L282 HydrophobicContact CG2-CD1 3.66Å; V273-L282 HydrophobicContact CB-CD2 4.33Å; V273-L282 HydrophobicContact CG1-CD2 3.69Å; F276-L282 HydrophobicContact CB-CB 4.32Å; F276-L282 HydrophobicContact CD2-CB 4.1Å; F276-L282 HydrophobicContact CD2-CD1 3.83Å; F276-L282 HydrophobicContact CE2-CD1 3.63Å; F276-L282 HydrophobicContact CG-CB 4.07Å; F276-L282 HydrophobicContact CG-CD1 4.5Å; F276-L282 HydrophobicContact CZ-CD1 4.14Å; G278-L282 PolarHBondContact O-N 3.12Å; G278-L282 VanDerWaalsContact O-N 3.15Å; K280-L282 VanDerWaalsContact C-N 3.3Å; K280-L282 PolarHBondContact O-N 3.35Å; L282-D284 PolarHBondContact O-N 3.37Å; L282-Y285 WeakPolarHBondContact O-CB 3.23Å; L282-Y285 PolarHBondContact O-N 3.43Å; L282-Y285 VanDerWaalsContact O-N 3.13Å; L282-L286 HydrophobicContact CD1-CD1 4.36Å; L282-L286 HydrophobicContact CD1-CD2 4.28Å; L282-L286 HydrophobicContact CD1-CG 4.18Å; L282-L286 HydrophobicContact CG-CD1 4.24Å; L282-L286 HydrophobicContact CG-CG 4.43Å; L282-L286 WeakPolarHBondContact O-CG 3.5Å; L282-L286 PolarHBondContact O-N 2.65Å
283	A	98.8	Very high	98.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.8	-45	179	0	0	0	0	0	112.7	L190 Y193 I194 P279 K280 Y285 L286 I287	L190-A283 HydrophobicContact CD1-CB 4.18Å; Y193-A283 VanDerWaalsContact CB-CB 3.49Å; I194-A283 HydrophobicContact CB-CB 3.94Å; I194-A283 HydrophobicContact CG2-CB 4Å; P279-A283 WeakPolarHBondContact O-CB 3.28Å; P279-A283 PolarHBondContact O-N 2.73Å; K280-A283 WeakPolarHBondContact O-CB 3.48Å; K280-A283 PolarHBondContact O-N 3.23Å; K280-A283 VanDerWaalsContact O-N 3.12Å; A283-Y285 VanDerWaalsContact C-N 3.27Å; A283-Y285 PolarHBondContact O-N 3.22Å; A283-L286 PolarHBondContact O-N 2.67Å; A283-I287 WeakPolarHBondContact O-CG1 3.34Å; A283-I287 PolarHBondContact O-N 2.77Å
284	D	98.8	Very high	98.1	Very high	78 Å²	78	58 Å²	58	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-59	-40	176.5	-68.4	-28.9	0	0	0	111	K280 A281 L282 I287 Y288	K280-D284 IonicContact NZ-OD1 2.65Å; K280-D284 IonicContact NZ-OD2 2.68Å; K280-D284 PolarHBondContact NZ-OD2 3.44Å; K280-D284 PolarHBondContact O-N 2.7Å; A281-D284 PolarHBondContact O-N 2.92Å; L282-D284 PolarHBondContact O-N 3.37Å; D284-I287 PolarHBondContact O-N 2.92Å; D284-Y288 PolarHBondContact O-N 2.76Å
285	Y	98.8	Very high	98.2	Very high	64 Å²	64	55.7 Å²	55.7	25%	0.251	27%	0.274	S	S	.	.	H	α-helix	trans	-67.6	-41.1	176	-174.5	-110.4	0	0	0	113.4	I271 F276 A281 L282 A283 I287 Y288 L289 Y299	I271-Y285 HydrophobicContact CD1-CD1 4.36Å; I271-Y285 HydrophobicContact CD1-CE1 4.07Å; I271-Y285 HydrophobicContact CG1-CE1 4.28Å; F276-Y285 VanDerWaalsContact CE1-CB 3.4Å; F276-Y285 AromaticContact CE1-CD1 3.65Å; F276-Y285 HydrophobicContact CE1-CD1 3.65Å; F276-Y285 HydrophobicContact CE1-CD2 4.16Å; F276-Y285 HydrophobicContact CE1-CE1 4.45Å; F276-Y285 AromaticContact CE1-CG 3.46Å; F276-Y285 HydrophobicContact CE1-CG 3.46Å; F276-Y285 VanDerWaalsContact CE1-CG 3.46Å; F276-Y285 AromaticContact CZ-CD1 3.36Å; F276-Y285 HydrophobicContact CZ-CD1 3.36Å; F276-Y285 AromaticContact CZ-CE1 3.95Å; F276-Y285 HydrophobicContact CZ-CE1 3.95Å; F276-Y285 AromaticContact CZ-CG 3.73Å; F276-Y285 HydrophobicContact CZ-CG 3.73Å; A281-Y285 PolarHBondContact O-N 3.18Å; L282-Y285 WeakPolarHBondContact O-CB 3.23Å; L282-Y285 PolarHBondContact O-N 3.43Å; L282-Y285 VanDerWaalsContact O-N 3.13Å; A283-Y285 VanDerWaalsContact C-N 3.27Å; A283-Y285 PolarHBondContact O-N 3.22Å; Y285-I287 VanDerWaalsContact C-N 3.3Å; Y285-I287 PolarHBondContact O-N 3.18Å; Y285-Y288 AromaticContact CD2-CD1 3.96Å; Y285-Y288 HydrophobicContact CD2-CD1 3.96Å; Y285-Y288 AromaticContact CE2-CD1 3.85Å; Y285-Y288 HydrophobicContact CE2-CD1 3.85Å; Y285-Y288 HydrophobicContact CE2-CE1 4.11Å; Y285-Y288 WeakPolarHBondContact O-CB 3.44Å; Y285-Y288 PolarHBondContact O-N 2.77Å; Y285-L289 HydrophobicContact CD1-CD1 3.98Å; Y285-L289 HydrophobicContact CD1-CG 4.34Å; Y285-L289 HydrophobicContact CE1-CD1 3.44Å; Y285-L289 VanDerWaalsContact CE1-CD1 3.44Å; Y285-L289 HydrophobicContact CE1-CD2 4.47Å; Y285-L289 HydrophobicContact CE1-CG 3.94Å; Y285-L289 HydrophobicContact CE2-CG 4.43Å; Y285-L289 WeakPolarHBondContact O-CG 3.43Å; Y285-L289 PolarHBondContact O-N 3.4Å; Y285-Y299 WeakPolarHBondContact CE1-OH 3.4Å; Y285-Y299 PolarHBondContact OH-OH 2.98Å
286	L	98.8	Very high	98.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-38.5	175	-61.5	178.3	0	0	0	111.4	V170 I194 F226 I254 I271 L282 A283 L289 D290	V170-L286 HydrophobicContact CG2-CD1 3.98Å; I194-L286 HydrophobicContact CD1-CB 3.72Å; I194-L286 HydrophobicContact CD1-CD1 3.98Å; F226-L286 HydrophobicContact CD1-CD2 3.58Å; F226-L286 HydrophobicContact CD2-CB 4.31Å; F226-L286 HydrophobicContact CD2-CD2 4.25Å; F226-L286 HydrophobicContact CE1-CD2 3.65Å; F226-L286 HydrophobicContact CE2-CB 3.99Å; F226-L286 HydrophobicContact CE2-CD2 4.32Å; F226-L286 WeakPolarHBondContact CE2-O 3.31Å; F226-L286 HydrophobicContact CG-CD2 3.9Å; F226-L286 HydrophobicContact CZ-CB 4.19Å; F226-L286 HydrophobicContact CZ-CD2 4.04Å; F226-L286 WeakPolarHBondContact CZ-O 3.48Å; I254-L286 HydrophobicContact CD1-CD1 3.64Å; I254-L286 HydrophobicContact CD1-CD2 4.03Å; I254-L286 HydrophobicContact CD1-CG 4.5Å; I254-L286 HydrophobicContact CG1-CD2 4.38Å; I271-L286 HydrophobicContact CD1-CD2 3.69Å; L282-L286 HydrophobicContact CD1-CD1 4.36Å; L282-L286 HydrophobicContact CD1-CD2 4.28Å; L282-L286 HydrophobicContact CD1-CG 4.18Å; L282-L286 HydrophobicContact CG-CD1 4.24Å; L282-L286 HydrophobicContact CG-CG 4.43Å; L282-L286 WeakPolarHBondContact O-CG 3.5Å; L282-L286 PolarHBondContact O-N 2.65Å; A283-L286 PolarHBondContact O-N 2.67Å; L286-L289 PolarHBondContact O-N 3.47Å; L286-D290 WeakPolarHBondContact O-CB 3.47Å; L286-D290 PolarHBondContact O-N 3.06Å
287	I	98.6	Very high	98.2	Very high	42 Å²	42	50.9 Å²	50.9	22%	0.215	25%	0.25	C	S	.	.	H	α-helix	trans	-67.2	-38.5	174.8	-67.2	163.6	0	0	0	111.3	I194 A283 D284 Y285 D290 R291	I194-I287 HydrophobicContact CD1-CG1 4.24Å; A283-I287 WeakPolarHBondContact O-CG1 3.34Å; A283-I287 PolarHBondContact O-N 2.77Å; D284-I287 PolarHBondContact O-N 2.92Å; Y285-I287 VanDerWaalsContact C-N 3.3Å; Y285-I287 PolarHBondContact O-N 3.18Å; I287-D290 PolarHBondContact O-N 3.43Å; I287-R291 WeakPolarHBondContact O-CG 3.5Å; I287-R291 PolarHBondContact O-N 2.96Å
288	Y	98.6	Very high	98.2	Very high	111 Å²	111	46.9 Å²	46.9	44%	0.435	23%	0.226	S	C	.	.	H	α-helix	trans	-60	-49.5	172.5	159.1	-103.2	0	0	0	111.5	D284 Y285 D290 R291 N292 A295	D284-Y288 PolarHBondContact O-N 2.76Å; Y285-Y288 AromaticContact CD2-CD1 3.96Å; Y285-Y288 HydrophobicContact CD2-CD1 3.96Å; Y285-Y288 AromaticContact CE2-CD1 3.85Å; Y285-Y288 HydrophobicContact CE2-CD1 3.85Å; Y285-Y288 HydrophobicContact CE2-CE1 4.11Å; Y285-Y288 WeakPolarHBondContact O-CB 3.44Å; Y285-Y288 PolarHBondContact O-N 2.77Å; Y288-D290 VanDerWaalsContact C-N 3.3Å; Y288-D290 PolarHBondContact O-N 3Å; Y288-R291 PolarHBondContact O-N 3.29Å; Y288-R291 VanDerWaalsContact O-N 3.15Å; Y288-N292 HydrophobicContact CD2-CB 4.47Å; Y288-N292 HydrophobicContact CE2-CB 4.02Å; Y288-N292 WeakPolarHBondContact O-CB 3.49Å; Y288-N292 PolarHBondContact O-N 3.13Å; Y288-N292 PolarHBondContact OH-ND2 2.82Å; Y288-A295 HydrophobicContact CE1-CB 3.84Å; Y288-A295 WeakPolarHBondContact OH-CB 3.43Å
289	L	98.3	Very high	98.2	Very high	1 Å²	1	48 Å²	48	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-35.3	178.6	-72.2	-176.6	0	0	0	112.4	F226 I252 I271 Y285 L286 R291 N292 A295 Y296 Y299	F226-L289 HydrophobicContact CE1-CB 4.17Å; F226-L289 HydrophobicContact CE1-CD1 3.92Å; F226-L289 HydrophobicContact CZ-CB 3.77Å; F226-L289 HydrophobicContact CZ-CD1 4.34Å; I252-L289 HydrophobicContact CD1-CD1 4.27Å; I271-L289 HydrophobicContact CD1-CD1 3.63Å; Y285-L289 HydrophobicContact CD1-CD1 3.98Å; Y285-L289 HydrophobicContact CD1-CG 4.34Å; Y285-L289 HydrophobicContact CE1-CD1 3.44Å; Y285-L289 VanDerWaalsContact CE1-CD1 3.44Å; Y285-L289 HydrophobicContact CE1-CD2 4.47Å; Y285-L289 HydrophobicContact CE1-CG 3.94Å; Y285-L289 HydrophobicContact CE2-CG 4.43Å; Y285-L289 WeakPolarHBondContact O-CG 3.43Å; Y285-L289 PolarHBondContact O-N 3.4Å; L286-L289 PolarHBondContact O-N 3.47Å; L289-R291 VanDerWaalsContact C-N 3.27Å; L289-R291 PolarHBondContact O-N 2.86Å; L289-N292 CarbonylContact O-C 3.57Å; L289-N292 PolarHBondContact O-N 2.82Å; L289-A295 HydrophobicContact CD2-CB 3.73Å; L289-Y296 HydrophobicContact CB-CD2 4.38Å; L289-Y299 HydrophobicContact CD1-CD2 4.42Å; L289-Y299 HydrophobicContact CD1-CE2 3.82Å; L289-Y299 HydrophobicContact CD2-CE2 4.17Å
290	D	97.7	Very high	98.1	Very high	49 Å²	49	47.7 Å²	47.7	26%	0.262	23%	0.226	S	C	.	.	H	α-helix	trans	-58	-41	173.6	174.7	58.9	0	0	0	112.3	L169 K225 L286 I287 Y288	L169-D290 HydrophobicContact CD2-CB 3.61Å; L169-D290 WeakPolarHBondContact CD2-OD1 3.36Å; K225-D290 HydrophobicContact CD-CB 4.44Å; K225-D290 WeakPolarHBondContact CD-OD1 3.31Å; K225-D290 WeakPolarHBondContact CE-OD1 3.18Å; K225-D290 PolarHBondContact NZ-O 2.69Å; K225-D290 IonicContact NZ-OD1 2.87Å; K225-D290 PolarHBondContact NZ-OD1 3.41Å; L286-D290 WeakPolarHBondContact O-CB 3.47Å; L286-D290 PolarHBondContact O-N 3.06Å; I287-D290 PolarHBondContact O-N 3.43Å; Y288-D290 VanDerWaalsContact C-N 3.3Å; Y288-D290 PolarHBondContact O-N 3Å
291	R	97.4	Very high	97.9	Very high	202 Å²	202	47.3 Å²	47.3	76%	0.762	22%	0.224	S	C	*	.	H	α-helix	trans	-85.1	-15.8	-178.1	-65.3	173.1	-177.9	175	1.8	113.9	I287 Y288 L289	I287-R291 WeakPolarHBondContact O-CG 3.5Å; I287-R291 PolarHBondContact O-N 2.96Å; Y288-R291 PolarHBondContact O-N 3.29Å; Y288-R291 VanDerWaalsContact O-N 3.15Å; L289-R291 VanDerWaalsContact C-N 3.27Å; L289-R291 PolarHBondContact O-N 2.86Å
292	N	98	Very high	97.8	Very high	52 Å²	52	46.6 Å²	46.6	28%	0.278	21%	0.214	S	C	.	.			trans	-120.9	89.7	-178.8	-172.4	-21.2	0	0	0	110.9	Y288 L289 D294 A295 Y296	Y288-N292 HydrophobicContact CD2-CB 4.47Å; Y288-N292 HydrophobicContact CE2-CB 4.02Å; Y288-N292 WeakPolarHBondContact O-CB 3.49Å; Y288-N292 PolarHBondContact O-N 3.13Å; Y288-N292 PolarHBondContact OH-ND2 2.82Å; L289-N292 CarbonylContact O-C 3.57Å; L289-N292 PolarHBondContact O-N 2.82Å; N292-D294 PolarHBondContact O-N 3.19Å; N292-D294 PolarHBondContact OD1-N 3.41Å; N292-A295 HydrophobicContact CB-CB 3.97Å; N292-A295 PolarHBondContact O-N 2.92Å; N292-A295 PolarHBondContact OD1-N 3.42Å; N292-Y296 PolarHBondContact O-N 2.66Å
293	T	97.2	Very high	97.6	Very high	42 Å²	42	47.3 Å²	47.3	26%	0.258	22%	0.218	S	C	.	.	H	α-helix	trans	-58	-34.3	179.5	-54	0	0	0	0	112.8	R160 V163 Y296 L297	R160-T293 HydrophobicContact CG-CG2 4.12Å; V163-T293 HydrophobicContact CG1-CG2 4.27Å; T293-Y296 PolarHBondContact O-N 2.59Å; T293-L297 HydrophobicContact CG2-CD1 3.92Å; T293-L297 HydrophobicContact CG2-CG 4.17Å; T293-L297 WeakPolarHBondContact O-CB 3.5Å; T293-L297 VanDerWaalsContact O-CG 3.24Å; T293-L297 WeakPolarHBondContact O-CG 3.25Å; T293-L297 PolarHBondContact O-N 2.98Å
294	D	97.5	Very high	97.4	Very high	86 Å²	86	50.1 Å²	50.1	46%	0.46	23%	0.231	S	C	.	.	H	α-helix	trans	-70.4	-39.5	-179	-68.4	-15.1	0	0	0	111.9	R160 N292 Q298	R160-D294 IonicContact CZ-OD1 3.94Å; R160-D294 IonicContact NH1-OD1 3.83Å; R160-D294 PolarHBondContact NH1-OD1 2.99Å; R160-D294 IonicContact NH2-OD1 2.63Å; R160-D294 PolarHBondContact NH2-OD1 2.68Å; N292-D294 PolarHBondContact O-N 3.19Å; N292-D294 PolarHBondContact OD1-N 3.41Å; D294-Q298 WeakPolarHBondContact O-CG 3.36Å; D294-Q298 PolarHBondContact O-N 3.12Å; D294-Q298 PolarHBondContact O-NE2 3.39Å
295	A	98	Very high	97.2	Very high	14 Å²	14	51.6 Å²	51.6	12%	0.116	24%	0.235	C	C	.	.	H	α-helix	trans	-65.8	-43.3	172.5	0	0	0	0	0	111.1	Y288 L289 N292 L297 Q298	Y288-A295 HydrophobicContact CE1-CB 3.84Å; Y288-A295 WeakPolarHBondContact OH-CB 3.43Å; L289-A295 HydrophobicContact CD2-CB 3.73Å; N292-A295 HydrophobicContact CB-CB 3.97Å; N292-A295 PolarHBondContact O-N 2.92Å; N292-A295 PolarHBondContact OD1-N 3.42Å; A295-L297 PolarHBondContact O-N 2.98Å; A295-Q298 VanDerWaalsContact O-CB 3.31Å; A295-Q298 WeakPolarHBondContact O-CB 3.46Å; A295-Q298 WeakPolarHBondContact O-CG 3.22Å; A295-Q298 PolarHBondContact O-N 3.12Å
296	Y	98.2	Very high	97	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-46.2	175.5	-176.4	-91.6	0	0	0	112	V163 K225 F226 L250 I252 L289 N292 T293 Q298 Y299 F300	V163-Y296 HydrophobicContact CB-CD1 4.49Å; V163-Y296 HydrophobicContact CB-CE1 4.36Å; V163-Y296 HydrophobicContact CG1-CD1 3.66Å; V163-Y296 HydrophobicContact CG1-CE1 3.74Å; V163-Y296 HydrophobicContact CG1-CG 4.49Å; V163-Y296 HydrophobicContact CG2-CD1 3.97Å; V163-Y296 HydrophobicContact CG2-CE1 3.58Å; K225-Y296 WeakPolarHBondContact CA-OH 3.49Å; K225-Y296 HydrophobicContact CB-CE2 3.73Å; K225-Y296 HydrophobicContact CD-CE2 4.43Å; K225-Y296 HydrophobicContact CG-CE2 4.21Å; K225-Y296 PolarHBondContact O-OH 2.84Å; F226-Y296 HydrophobicContact CD1-CE2 4.46Å; F226-Y296 HydrophobicContact CE1-CD2 4.14Å; F226-Y296 AromaticContact CE1-CE2 3.88Å; F226-Y296 HydrophobicContact CE1-CE2 3.88Å; F226-Y296 HydrophobicContact CZ-CD2 4.19Å; F226-Y296 HydrophobicContact CZ-CE2 4.11Å; L250-Y296 PolarHBondContact O-OH 3.05Å; I252-Y296 HydrophobicContact CD1-CD2 3.47Å; I252-Y296 VanDerWaalsContact CD1-CD2 3.47Å; I252-Y296 HydrophobicContact CD1-CE2 3.36Å; I252-Y296 HydrophobicContact CD1-CG 4.18Å; I252-Y296 HydrophobicContact CG1-CD2 4.35Å; I252-Y296 HydrophobicContact CG1-CE2 3.76Å; L289-Y296 HydrophobicContact CB-CD2 4.38Å; N292-Y296 PolarHBondContact O-N 2.66Å; T293-Y296 PolarHBondContact O-N 2.59Å; Y296-Q298 PolarHBondContact O-N 2.94Å; Y296-Y299 PolarHBondContact O-N 3.37Å; Y296-F300 HydrophobicContact CD1-CD2 4.37Å; Y296-F300 AromaticContact CD1-CE2 3.86Å; Y296-F300 HydrophobicContact CD1-CE2 3.86Å; Y296-F300 HydrophobicContact CE1-CD2 4.15Å; Y296-F300 AromaticContact CE1-CE2 3.32Å; Y296-F300 HydrophobicContact CE1-CE2 3.32Å; Y296-F300 HydrophobicContact CE1-CZ 4.06Å; Y296-F300 HydrophobicContact CE2-CE2 4.49Å; Y296-F300 AromaticContact CZ-CE2 3.69Å
297	L	97.3	Very high	96.8	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-17.6	-179.7	-73.5	176.6	0	0	0	113.6	W156 L159 R160 V163 T293 A295 Y299 F300	W156-L297 HydrophobicContact CZ3-CB 4.14Å; L159-L297 HydrophobicContact CB-CD2 3.98Å; R160-L297 HydrophobicContact CB-CD1 4.2Å; V163-L297 HydrophobicContact CG2-CD2 4.02Å; T293-L297 HydrophobicContact CG2-CD1 3.92Å; T293-L297 HydrophobicContact CG2-CG 4.17Å; T293-L297 WeakPolarHBondContact O-CB 3.5Å; T293-L297 VanDerWaalsContact O-CG 3.24Å; T293-L297 WeakPolarHBondContact O-CG 3.25Å; T293-L297 PolarHBondContact O-N 2.98Å; A295-L297 PolarHBondContact O-N 2.98Å; L297-Y299 PolarHBondContact O-N 3.22Å; L297-F300 PolarHBondContact O-N 2.88Å
298	Q	97.3	Very high	96.5	Very high	84 Å²	84	53 Å²	53	39%	0.393	24%	0.242	S	C	.	.	H	α-helix	trans	-58.2	-34.2	172.8	-60.9	-52.5	-58.4	0	0	112.2	D294 A295 Y296 F300 K301	D294-Q298 WeakPolarHBondContact O-CG 3.36Å; D294-Q298 PolarHBondContact O-N 3.12Å; D294-Q298 PolarHBondContact O-NE2 3.39Å; A295-Q298 VanDerWaalsContact O-CB 3.31Å; A295-Q298 WeakPolarHBondContact O-CB 3.46Å; A295-Q298 WeakPolarHBondContact O-CG 3.22Å; A295-Q298 PolarHBondContact O-N 3.12Å; Y296-Q298 PolarHBondContact O-N 2.94Å; Q298-F300 PolarHBondContact O-N 3.5Å; Q298-F300 VanDerWaalsContact O-N 3.14Å; Q298-K301 PolarHBondContact O-N 3.19Å
299	Y	97.8	Very high	96.2	Very high	30 Å²	30	48 Å²	48	12%	0.118	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-4.7	179.3	-74.6	-87.8	0	0	0	114.3	I252 N268 F270 I271 Y285 L289 Y296 L297 W302	I252-Y299 HydrophobicContact CD1-CD1 4.39Å; I252-Y299 HydrophobicContact CD1-CD2 3.56Å; I252-Y299 HydrophobicContact CD1-CE2 4.3Å; I252-Y299 HydrophobicContact CD1-CG 3.6Å; I252-Y299 HydrophobicContact CG1-CG 4.14Å; I252-Y299 HydrophobicContact CG2-CD1 3.94Å; I252-Y299 HydrophobicContact CG2-CE1 4.4Å; I252-Y299 HydrophobicContact CG2-CG 4.19Å; N268-Y299 CarbonylContact O-C 3.6Å; N268-Y299 VanDerWaalsContact O-CA 3.28Å; N268-Y299 WeakPolarHBondContact O-CA 3.26Å; N268-Y299 VanDerWaalsContact O-O 3.1Å; F270-Y299 WeakPolarHBondContact O-CE1 3.48Å; I271-Y299 HydrophobicContact CG1-CE1 3.78Å; Y285-Y299 WeakPolarHBondContact CE1-OH 3.4Å; Y285-Y299 PolarHBondContact OH-OH 2.98Å; L289-Y299 HydrophobicContact CD1-CD2 4.42Å; L289-Y299 HydrophobicContact CD1-CE2 3.82Å; L289-Y299 HydrophobicContact CD2-CE2 4.17Å; Y296-Y299 PolarHBondContact O-N 3.37Å; L297-Y299 PolarHBondContact O-N 3.22Å; Y299-W302 PolarHBondContact O-NE1 2.88Å
300	F	96.7	Very high	95.6	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.013	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	4.2	-179.9	-58.4	-76.4	0	0	0	112.8	L159 L250 I252 Y296 L297 Q298 W302 M303	L159-F300 HydrophobicContact CD1-CB 4.21Å; L250-F300 HydrophobicContact CD2-CD1 4Å; L250-F300 HydrophobicContact CD2-CE1 4.36Å; L250-F300 HydrophobicContact CD2-CG 4.23Å; I252-F300 HydrophobicContact CD1-CE2 4.16Å; I252-F300 HydrophobicContact CG1-CE2 3.64Å; I252-F300 HydrophobicContact CG1-CZ 3.53Å; Y296-F300 HydrophobicContact CD1-CD2 4.37Å; Y296-F300 AromaticContact CD1-CE2 3.86Å; Y296-F300 HydrophobicContact CD1-CE2 3.86Å; Y296-F300 HydrophobicContact CE1-CD2 4.15Å; Y296-F300 AromaticContact CE1-CE2 3.32Å; Y296-F300 HydrophobicContact CE1-CE2 3.32Å; Y296-F300 HydrophobicContact CE1-CZ 4.06Å; Y296-F300 HydrophobicContact CE2-CE2 4.49Å; Y296-F300 AromaticContact CZ-CE2 3.69Å; L297-F300 PolarHBondContact O-N 2.88Å; Q298-F300 PolarHBondContact O-N 3.5Å; Q298-F300 VanDerWaalsContact O-N 3.14Å; F300-W302 PolarHBondContact O-N 3.08Å; F300-W302 VanDerWaalsContact O-N 3.16Å; F300-M303 HydrophobicContact CB-CG 4.42Å; F300-M303 HydrophobicContact CB-SD 4.02Å; F300-M303 HydrophobicContact CD1-CE 3.66Å; F300-M303 HydrophobicContact CD1-SD 3.93Å; F300-M303 HydrophobicContact CE1-CE 4.28Å; F300-M303 HydrophobicContact CG-SD 4.39Å; F300-M303 WeakPolarHBondContact O-CB 3.47Å; F300-M303 WeakPolarHBondContact O-CG 3.46Å; F300-M303 PolarHBondContact O-N 3.17Å
301	K	95.7	Very high	94.8	Very high	99 Å²	99	47.6 Å²	47.6	43%	0.43	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-54.2	-34.9	174.2	-81.6	-177.7	161.7	177.5	0	113.2	W156 Q298 M303 Q304	W156-K301 HydrophobicContact CH2-CB 4.33Å; W156-K301 HydrophobicContact CH2-CG 3.65Å; W156-K301 HydrophobicContact CZ2-CG 4.03Å; Q298-K301 PolarHBondContact O-N 3.19Å; K301-M303 PolarHBondContact O-N 3.01Å; K301-M303 VanDerWaalsContact O-N 3.14Å; K301-Q304 WeakPolarHBondContact O-CB 3.4Å; K301-Q304 PolarHBondContact O-N 2.8Å; K301-Q304 VanDerWaalsContact O-N 3.1Å
302	W	95.5	Very high	93.9	Very high	17 Å²	17	45.8 Å²	45.8	6%	0.064	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-57.7	-28.1	176.6	64	-96.8	0	0	0	112.9	F144 L247 L266 Y299 F300 Q304 H305 Y306 V308	F144-W302 HydrophobicContact CD1-CD2 4.49Å; F144-W302 AromaticContact CD1-CE3 3.89Å; F144-W302 HydrophobicContact CD1-CE3 3.89Å; F144-W302 HydrophobicContact CD1-CZ3 4.13Å; F144-W302 AromaticContact CE1-CD2 3.83Å; F144-W302 HydrophobicContact CE1-CD2 3.83Å; F144-W302 AromaticContact CE1-CE3 3.56Å; F144-W302 HydrophobicContact CE1-CE3 3.56Å; F144-W302 HydrophobicContact CE1-CH2 4.14Å; F144-W302 HydrophobicContact CE1-CZ2 4.36Å; F144-W302 AromaticContact CE1-CZ3 3.75Å; F144-W302 HydrophobicContact CE1-CZ3 3.75Å; L247-W302 HydrophobicContact CB-CH2 4.02Å; L247-W302 HydrophobicContact CB-CZ2 4Å; L247-W302 HydrophobicContact CD2-CZ2 4.37Å; L266-W302 HydrophobicContact CD1-CB 3.5Å; L266-W302 HydrophobicContact CD1-CG 4.11Å; Y299-W302 PolarHBondContact O-NE1 2.88Å; F300-W302 PolarHBondContact O-N 3.08Å; F300-W302 VanDerWaalsContact O-N 3.16Å; W302-Q304 PolarHBondContact O-N 3.23Å; W302-Q304 VanDerWaalsContact O-N 3.14Å; W302-H305 PolarHBondContact O-N 3.5Å; W302-Y306 HydrophobicContact CB-CD2 4.39Å; W302-Y306 WeakPolarHBondContact O-CD2 3.37Å; W302-Y306 PolarHBondContact O-N 3.44Å; W302-V308 HydrophobicContact CH2-CG2 3.47Å; W302-V308 VanDerWaalsContact CH2-CG2 3.47Å; W302-V308 HydrophobicContact CZ2-CG2 4.5Å; W302-V308 HydrophobicContact CZ3-CG2 3.55Å
303	M	95.3	Very high	93.5	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.079	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-64.4	-17.2	179.6	-68	-176.6	161.4	0	0	113	K147 F155 L159 L247 L250 F300 K301 H305	K147-M303 WeakPolarHBondContact CE-O 3.42Å; F155-M303 HydrophobicContact CE2-CB 4.45Å; F155-M303 HydrophobicContact CZ-CB 3.69Å; L159-M303 HydrophobicContact CD1-SD 4.32Å; L247-M303 WeakPolarHBondContact O-CE 3.09Å; L250-M303 HydrophobicContact CD2-CE 3.94Å; L250-M303 HydrophobicContact CD2-SD 3.78Å; F300-M303 HydrophobicContact CB-CG 4.42Å; F300-M303 HydrophobicContact CB-SD 4.02Å; F300-M303 HydrophobicContact CD1-CE 3.66Å; F300-M303 HydrophobicContact CD1-SD 3.93Å; F300-M303 HydrophobicContact CE1-CE 4.28Å; F300-M303 HydrophobicContact CG-SD 4.39Å; F300-M303 WeakPolarHBondContact O-CB 3.47Å; F300-M303 WeakPolarHBondContact O-CG 3.46Å; F300-M303 PolarHBondContact O-N 3.17Å; K301-M303 PolarHBondContact O-N 3.01Å; K301-M303 VanDerWaalsContact O-N 3.14Å; M303-H305 PolarHBondContact O-N 2.83Å
304	Q	93.7	Very high	93.3	Very high	59 Å²	59	44 Å²	44	28%	0.276	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-69.9	-25.8	172.2	-63.8	-172.9	-70.6	0	0	112.5	P151 F155 W156 K301 W302	P151-Q304 HydrophobicContact CG-CB 4.34Å; P151-Q304 HydrophobicContact CG-CG 4.37Å; F155-Q304 HydrophobicContact CD1-CG 4.08Å; F155-Q304 HydrophobicContact CE1-CG 3.65Å; F155-Q304 HydrophobicContact CZ-CG 4.47Å; W156-Q304 VanDerWaalsContact CZ2-CD 3.45Å; W156-Q304 HydrophobicContact CZ2-CG 3.88Å; K301-Q304 WeakPolarHBondContact O-CB 3.4Å; K301-Q304 PolarHBondContact O-N 2.8Å; K301-Q304 VanDerWaalsContact O-N 3.1Å; W302-Q304 PolarHBondContact O-N 3.23Å; W302-Q304 VanDerWaalsContact O-N 3.14Å
305	H	94.6	Very high	93.1	Very high	108 Å²	108	42.1 Å²	42.1	50%	0.5	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-20.2	-168.2	-57.2	-62.4	0	0	0	113.5	Q146 K147 W302 M303	Q146-H305 CarbonylContact C-O 3.52Å; Q146-H305 WeakPolarHBondContact CA-O 3.33Å; K147-H305 PolarHBondContact N-O 2.9Å; W302-H305 PolarHBondContact O-N 3.5Å; M303-H305 PolarHBondContact O-N 2.83Å
306	Y	95.8	Very high	93	Very high	81 Å²	81	41.5 Å²	41.5	32%	0.318	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.2	-172.6	-57.7	-85.7	0	0	0	112.9	F144 K145 Q146 K147 L266 W302	F144-Y306 HydrophobicContact CB-CD1 4.03Å; F144-Y306 HydrophobicContact CB-CG 4.23Å; K145-Y306 CarbonylContact O-C 3.48Å; K145-Y306 VanDerWaalsContact O-CA 3.23Å; K145-Y306 WeakPolarHBondContact O-CA 3.41Å; Q146-Y306 HydrophobicContact CB-CD1 4.45Å; Q146-Y306 HydrophobicContact CB-CE1 4.39Å; K147-Y306 WeakPolarHBondContact CE-O 3.4Å; L266-Y306 HydrophobicContact CD1-CD2 3.56Å; L266-Y306 HydrophobicContact CD1-CE2 3.95Å; L266-Y306 HydrophobicContact CD1-CG 4Å; L266-Y306 HydrophobicContact CD2-CE2 4.42Å; W302-Y306 HydrophobicContact CB-CD2 4.39Å; W302-Y306 WeakPolarHBondContact O-CD2 3.37Å; W302-Y306 PolarHBondContact O-N 3.44Å
307	D	93.3	Very high	92.8	Very high	36 Å²	36	43.8 Å²	43.8	19%	0.193	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	147.4	161.9	-67.9	-50.4	0	0	0	109.5	F144 K145 K147	F144-D307 CarbonylContact C-O 3.58Å; F144-D307 WeakPolarHBondContact CA-O 3.29Å; K145-D307 PolarHBondContact N-O 3.25Å; K145-D307 PolarHBondContact O-N 2.86Å; K147-D307 WeakPolarHBondContact CE-OD1 3.5Å; K147-D307 WeakPolarHBondContact CG-OD2 3.43Å; K147-D307 IonicContact NZ-OD1 3.97Å; K147-D307 PolarHBondContact NZ-OD1 3.16Å
308	V	92.8	Very high	92.7	Very high	18 Å²	18	43.6 Å²	43.6	11%	0.109	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121	172.2	180	0	0	0	0	109.6	F144 F244 L247 W302	F144-V308 HydrophobicContact CD1-CG2 4Å; F144-V308 HydrophobicContact CE1-CG2 3.71Å; F144-V308 HydrophobicContact CZ-CG2 4.33Å; F244-V308 HydrophobicContact CB-CG1 4.45Å; F244-V308 HydrophobicContact CD1-CG1 4.13Å; L247-V308 HydrophobicContact CB-CG2 3.94Å; L247-V308 HydrophobicContact CD1-CG1 4.03Å; L247-V308 HydrophobicContact CD1-CG2 3.73Å; W302-V308 HydrophobicContact CH2-CG2 3.47Å; W302-V308 VanDerWaalsContact CH2-CG2 3.47Å; W302-V308 HydrophobicContact CZ2-CG2 4.5Å; W302-V308 HydrophobicContact CZ3-CG2 3.55Å
309	M	91.2	Very high	92.7	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.03	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	100.4	177.1	-54.4	-60.2	-77.5	0	0	108.4	L23 G142 F143 K145 Y313	L23-M309 HydrophobicContact CD1-CE 4.15Å; G142-M309 CarbonylContact C-O 3.6Å; G142-M309 WeakPolarHBondContact CA-O 3.38Å; F143-M309 HydrophobicContact CD1-CB 3.94Å; F143-M309 HydrophobicContact CD2-CB 3.95Å; F143-M309 HydrophobicContact CD2-CG 4Å; F143-M309 HydrophobicContact CE1-CB 3.6Å; F143-M309 HydrophobicContact CE1-CG 4.38Å; F143-M309 HydrophobicContact CE2-CB 3.63Å; F143-M309 HydrophobicContact CE2-CG 3.5Å; F143-M309 HydrophobicContact CG-CB 4.1Å; F143-M309 HydrophobicContact CZ-CB 3.44Å; F143-M309 VanDerWaalsContact CZ-CB 3.44Å; F143-M309 HydrophobicContact CZ-CG 3.73Å; F143-M309 PolarHBondContact N-O 2.66Å; F143-M309 PolarHBondContact O-N 2.83Å; K145-M309 HydrophobicContact CB-CG 3.7Å; K145-M309 HydrophobicContact CB-SD 4.3Å; K145-M309 HydrophobicContact CD-CE 4.36Å; K145-M309 HydrophobicContact CD-CG 4.42Å; K145-M309 HydrophobicContact CD-SD 4.28Å; M309-Y313 HydrophobicContact CB-CD2 4.13Å; M309-Y313 HydrophobicContact CB-CG 4.41Å; M309-Y313 HydrophobicContact CE-CD1 3.43Å; M309-Y313 VanDerWaalsContact CE-CD1 3.43Å; M309-Y313 HydrophobicContact CE-CD2 3.62Å; M309-Y313 HydrophobicContact CE-CE1 3.35Å; M309-Y313 HydrophobicContact CE-CE2 3.58Å; M309-Y313 HydrophobicContact CE-CG 3.56Å; M309-Y313 VanDerWaalsContact CE-CZ 3.45Å; M309-Y313 HydrophobicContact SD-CD2 4.28Å; M309-Y313 HydrophobicContact SD-CE2 4.12Å
310	G	86.4	Confident	92.7	Very high	13 Å²	13	38.8 Å²	38.8	13%	0.134	18%	0.179	C	C	.	.			trans	-97.4	-146.8	-175.5	0	0	0	0	0	114.8	R312 Y313 R314	G310-R312 PolarHBondContact O-N 2.92Å; G310-Y313 PolarHBondContact O-N 2.78Å; G310-R314 PolarHBondContact O-N 2.78Å
311	A	81.7	Confident	92.7	Very high	29 Å²	29	42.2 Å²	42.2	24%	0.24	19%	0.194	C	C	.	.	H	α-helix	trans	-51.2	-33.4	-171.5	0	0	0	0	0	115.7	Y313	A311-Y313 PolarHBondContact O-N 2.84Å
312	R	77.9	Confident	92.8	Very high	164 Å²	164	37.5 Å²	37.5	62%	0.619	17%	0.174	S	C	*	.	H	α-helix	trans	-60.3	-34.1	178.5	-175.5	179.4	-177.4	-179.2	2.8	112.4	G310	G310-R312 PolarHBondContact O-N 2.92Å
313	Y	89.2	Confident	92.9	Very high	31 Å²	31	36.7 Å²	36.7	12%	0.122	17%	0.171	C	C	.	.	H	α-helix	trans	-100.8	-18.3	-173.2	-59.2	-85.9	0	0	0	113	F58 M309 G310 A311 Y315 N317	F58-Y313 AromaticContact CD1-CD1 3.91Å; F58-Y313 HydrophobicContact CD1-CD1 3.91Å; F58-Y313 HydrophobicContact CD1-CE1 4.22Å; F58-Y313 AromaticContact CE1-CD1 3.41Å; F58-Y313 HydrophobicContact CE1-CD1 3.41Å; F58-Y313 VanDerWaalsContact CE1-CD1 3.41Å; F58-Y313 AromaticContact CE1-CE1 3.49Å; F58-Y313 HydrophobicContact CE1-CE1 3.49Å; F58-Y313 VanDerWaalsContact CE1-CE1 3.49Å; F58-Y313 HydrophobicContact CZ-CD1 4.28Å; F58-Y313 HydrophobicContact CZ-CE1 4.4Å; M309-Y313 HydrophobicContact CB-CD2 4.13Å; M309-Y313 HydrophobicContact CB-CG 4.41Å; M309-Y313 HydrophobicContact CE-CD1 3.43Å; M309-Y313 VanDerWaalsContact CE-CD1 3.43Å; M309-Y313 HydrophobicContact CE-CD2 3.62Å; M309-Y313 HydrophobicContact CE-CE1 3.35Å; M309-Y313 HydrophobicContact CE-CE2 3.58Å; M309-Y313 HydrophobicContact CE-CG 3.56Å; M309-Y313 VanDerWaalsContact CE-CZ 3.45Å; M309-Y313 HydrophobicContact SD-CD2 4.28Å; M309-Y313 HydrophobicContact SD-CE2 4.12Å; G310-Y313 PolarHBondContact O-N 2.78Å; A311-Y313 PolarHBondContact O-N 2.84Å; Y313-Y315 PolarHBondContact O-N 3.42Å; Y313-N317 WeakPolarHBondContact O-CB 3.43Å; Y313-N317 PolarHBondContact O-N 3.45Å
314	R	92.5	Very high	92.9	Very high	25 Å²	25	38.9 Å²	38.9	9%	0.094	18%	0.18	C	C	.	.	H	α-helix	trans	-51.7	-60.5	-175.8	169.4	177.4	63.4	-169.1	-14.6	112.9	V139 P140 G310 N317 G318	V139-R314 HydrophobicContact CG1-CG 3.68Å; P140-R314 WeakPolarHBondContact O-CG 3.46Å; G310-R314 PolarHBondContact O-N 2.78Å; R314-N317 PolarHBondContact O-N 3.21Å; R314-G318 PolarHBondContact O-N 3.49Å
315	Y	94.9	Very high	93	Very high	47 Å²	47	39.4 Å²	39.4	18%	0.184	19%	0.185	C	C	.	.	H	α-helix	trans	-68.9	-44.2	-174.9	-60.2	-63.9	0	0	0	111	F46 F51 F104 L106 Y313 N317 G318 F319	F46-Y315 HydrophobicContact CE1-CE1 4.19Å; F46-Y315 AromaticContact CE1-CZ 3.89Å; F46-Y315 VanDerWaalsContact CE1-OH 3.31Å; F46-Y315 WeakPolarHBondContact CE1-OH 3.44Å; F46-Y315 HydrophobicContact CZ-CE1 4.06Å; F46-Y315 WeakPolarHBondContact CZ-OH 3.2Å; F51-Y315 AromaticContact CE1-CD1 3.76Å; F51-Y315 HydrophobicContact CE1-CD1 3.76Å; F51-Y315 HydrophobicContact CE1-CD2 4.04Å; F51-Y315 HydrophobicContact CE1-CE1 4.16Å; F51-Y315 HydrophobicContact CE1-CE2 4.4Å; F51-Y315 AromaticContact CE1-CG 3.69Å; F51-Y315 HydrophobicContact CE1-CG 3.69Å; F51-Y315 AromaticContact CZ-CD1 3.86Å; F51-Y315 HydrophobicContact CZ-CD1 3.86Å; F51-Y315 HydrophobicContact CZ-CE1 4.09Å; F51-Y315 HydrophobicContact CZ-CG 4.28Å; F104-Y315 HydrophobicContact CZ-CD1 4.47Å; F104-Y315 HydrophobicContact CZ-CE1 4.38Å; L106-Y315 HydrophobicContact CD1-CD1 4.31Å; L106-Y315 HydrophobicContact CD1-CE1 3.55Å; Y313-Y315 PolarHBondContact O-N 3.42Å; Y315-N317 VanDerWaalsContact C-N 3.34Å; Y315-N317 PolarHBondContact O-N 3.12Å; Y315-G318 PolarHBondContact O-N 3.17Å; Y315-G318 VanDerWaalsContact O-N 3.12Å; Y315-F319 VanDerWaalsContact O-CD2 3.31Å; Y315-F319 WeakPolarHBondContact O-CD2 3.48Å; Y315-F319 PolarHBondContact O-N 3.39Å
316	A	94.9	Very high	93	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	16%	0.161	C	C	.	.	H	α-helix	trans	-56.7	-47.5	177	0	0	0	0	0	111.8	L55 F58 G318 F319 C320	L55-A316 HydrophobicContact CD2-CB 4.22Å; L55-A316 WeakPolarHBondContact O-CB 3.27Å; F58-A316 HydrophobicContact CB-CB 4Å; F58-A316 HydrophobicContact CD1-CB 4.36Å; F58-A316 HydrophobicContact CD2-CB 3.25Å; F58-A316 HydrophobicContact CE2-CB 3.72Å; F58-A316 HydrophobicContact CG-CB 3.6Å; F58-A316 HydrophobicContact CZ-CB 4.44Å; A316-G318 VanDerWaalsContact C-N 3.34Å; A316-G318 PolarHBondContact O-N 2.94Å; A316-F319 PolarHBondContact O-N 2.88Å; A316-C320 WeakPolarHBondContact O-CB 3.17Å; A316-C320 PolarHBondContact O-N 3.23Å; A316-C320 PolarHBondContact O-SG 3Å
317	N	94.1	Very high	92.8	Very high	48 Å²	48	31 Å²	31	26%	0.257	15%	0.149	S	C	.	.	H	α-helix	trans	-59.6	-43.7	175.8	-177	54.8	0	0	0	112.1	Y313 R314 Y315 K321	Y313-N317 WeakPolarHBondContact O-CB 3.43Å; Y313-N317 PolarHBondContact O-N 3.45Å; R314-N317 PolarHBondContact O-N 3.21Å; Y315-N317 VanDerWaalsContact C-N 3.34Å; Y315-N317 PolarHBondContact O-N 3.12Å; N317-K321 WeakPolarHBondContact O-CB 3.22Å; N317-K321 VanDerWaalsContact O-CG 3.3Å; N317-K321 WeakPolarHBondContact O-CG 3.42Å; N317-K321 PolarHBondContact O-N 2.64Å
318	G	96.3	Very high	92.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-51.7	176.6	0	0	0	0	0	113.1	V137 R314 Y315 A316 C320 K321 L322	V137-G318 WeakPolarHBondContact CG1-O 3.49Å; R314-G318 PolarHBondContact O-N 3.49Å; Y315-G318 PolarHBondContact O-N 3.17Å; Y315-G318 VanDerWaalsContact O-N 3.12Å; A316-G318 VanDerWaalsContact C-N 3.34Å; A316-G318 PolarHBondContact O-N 2.94Å; G318-C320 PolarHBondContact O-N 3.16Å; G318-K321 WeakPolarHBondContact O-CB 3.3Å; G318-K321 PolarHBondContact O-N 3.31Å; G318-L322 PolarHBondContact O-N 2.96Å
319	F	97.5	Very high	91.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.9	-33.2	-179.8	-80	-79	0	0	0	112.7	I40 M42 F51 L55 F56 I66 M129 Y315 A316 L322 C323	I40-F319 HydrophobicContact CG2-CE1 4.33Å; M42-F319 HydrophobicContact CE-CZ 4.41Å; M42-F319 HydrophobicContact SD-CE1 3.83Å; M42-F319 HydrophobicContact SD-CZ 3.73Å; F51-F319 HydrophobicContact CD1-CE2 4.39Å; F51-F319 AromaticContact CD2-CE2 3.66Å; F51-F319 HydrophobicContact CD2-CE2 3.66Å; F51-F319 AromaticContact CD2-CZ 3.63Å; F51-F319 HydrophobicContact CD2-CZ 3.63Å; F51-F319 HydrophobicContact CE1-CE2 4.34Å; F51-F319 AromaticContact CE2-CE2 3.61Å; F51-F319 HydrophobicContact CE2-CE2 3.61Å; F51-F319 AromaticContact CE2-CZ 3.68Å; F51-F319 HydrophobicContact CE2-CZ 3.68Å; F51-F319 HydrophobicContact CG-CE2 4.08Å; F51-F319 HydrophobicContact CG-CZ 4.4Å; F51-F319 AromaticContact CZ-CE2 3.97Å; F51-F319 HydrophobicContact CZ-CE2 3.97Å; F51-F319 HydrophobicContact CZ-CZ 4.47Å; L55-F319 HydrophobicContact CD1-CB 4.09Å; L55-F319 HydrophobicContact CD1-CD1 4.48Å; L55-F319 HydrophobicContact CD1-CD2 3.4Å; L55-F319 VanDerWaalsContact CD1-CD2 3.4Å; L55-F319 HydrophobicContact CD1-CE2 3.9Å; L55-F319 HydrophobicContact CD1-CG 3.74Å; F56-F319 HydrophobicContact CE1-CB 4.1Å; F56-F319 HydrophobicContact CZ-CB 4.48Å; I66-F319 HydrophobicContact CD1-CD1 4.14Å; I66-F319 HydrophobicContact CD1-CE1 3.73Å; I66-F319 HydrophobicContact CD1-CZ 4.05Å; M129-F319 HydrophobicContact CE-CD1 4.41Å; M129-F319 HydrophobicContact CE-CD2 4.06Å; M129-F319 HydrophobicContact CE-CE1 4.43Å; M129-F319 HydrophobicContact CE-CE2 4.08Å; M129-F319 HydrophobicContact CE-CG 4.23Å; M129-F319 HydrophobicContact CE-CZ 4.27Å; Y315-F319 VanDerWaalsContact O-CD2 3.31Å; Y315-F319 WeakPolarHBondContact O-CD2 3.48Å; Y315-F319 PolarHBondContact O-N 3.39Å; A316-F319 PolarHBondContact O-N 2.88Å; F319-L322 HydrophobicContact CD1-CD2 4.43Å; F319-L322 PolarHBondContact O-N 2.9Å; F319-C323 WeakPolarHBondContact O-CB 3.34Å; F319-C323 PolarHBondContact O-N 3.17Å
320	C	97	Very high	91	Very high	12 Å²	12	42.2 Å²	42.2	8%	0.081	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-39.6	170.4	-74.6	0	0	0	0	112.2	C59 L62 A316 G318 C323 Q324	C59-C320 HydrophobicContact CB-CB 3.68Å; C59-C320 WeakPolarHBondContact CB-SG 3.49Å; C59-C320 VanDerWaalsContact SG-CA 3.51Å; C59-C320 WeakPolarHBondContact SG-CB 3.31Å; C59-C320 CovalentContact SG-SG 2.03Å; C59-C320 PolarHBondContact SG-SG 3.43Å; L62-C320 WeakPolarHBondContact CD1-O 3.13Å; A316-C320 WeakPolarHBondContact O-CB 3.17Å; A316-C320 PolarHBondContact O-N 3.23Å; A316-C320 PolarHBondContact O-SG 3Å; G318-C320 PolarHBondContact O-N 3.16Å; C320-C323 WeakPolarHBondContact O-CB 3.48Å; C320-C323 PolarHBondContact O-N 2.03Å; C320-Q324 WeakPolarHBondContact O-CB 3.34Å; C320-Q324 PolarHBondContact O-N 2.79Å
321	K	96.9	Very high	89.9	Confident	76 Å²	76	45 Å²	45	33%	0.33	22%	0.218	S	C	.	.	H	α-helix	trans	-66.4	-45.5	173.8	-76.2	176.8	-178.6	-175.8	0	112.2	V137 H138 N317 G318 C323 Q324 L325	V137-K321 HydrophobicContact CG1-CB 4.05Å; H138-K321 PolarHBondContact O-NZ 3.42Å; N317-K321 WeakPolarHBondContact O-CB 3.22Å; N317-K321 VanDerWaalsContact O-CG 3.3Å; N317-K321 WeakPolarHBondContact O-CG 3.42Å; N317-K321 PolarHBondContact O-N 2.64Å; G318-K321 WeakPolarHBondContact O-CB 3.3Å; G318-K321 PolarHBondContact O-N 3.31Å; K321-C323 VanDerWaalsContact C-N 3.29Å; K321-C323 PolarHBondContact O-N 2.83Å; K321-Q324 WeakPolarHBondContact O-CB 3.34Å; K321-Q324 PolarHBondContact O-N 2.88Å; K321-L325 WeakPolarHBondContact O-CG 3.47Å; K321-L325 PolarHBondContact O-N 2.86Å
322	L	98	Very high	89.1	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.6	-47.9	173.5	176.6	57.7	0	0	0	110.2	I40 V80 V102 L127 M129 V137 G318 F319 Q324 L325 L326	I40-L322 HydrophobicContact CD1-CD2 4.05Å; I40-L322 HydrophobicContact CD1-CG 4.14Å; I40-L322 HydrophobicContact CG2-CD2 4.21Å; V80-L322 HydrophobicContact CG2-CD2 3.87Å; V102-L322 HydrophobicContact CG2-CD1 4.21Å; L127-L322 HydrophobicContact CD1-CD1 4.21Å; M129-L322 HydrophobicContact SD-CD2 4.23Å; V137-L322 HydrophobicContact CG1-CB 4.21Å; V137-L322 HydrophobicContact CG2-CB 3.97Å; V137-L322 HydrophobicContact CG2-CD1 4.03Å; G318-L322 PolarHBondContact O-N 2.96Å; F319-L322 HydrophobicContact CD1-CD2 4.43Å; F319-L322 PolarHBondContact O-N 2.9Å; L322-Q324 VanDerWaalsContact C-N 3.34Å; L322-Q324 PolarHBondContact O-N 3.38Å; L322-L325 WeakPolarHBondContact O-CB 2.97Å; L322-L325 PolarHBondContact O-N 3.26Å; L322-L325 VanDerWaalsContact O-N 3.16Å; L322-L326 HydrophobicContact CD1-CD1 4.42Å; L322-L326 HydrophobicContact CD1-CG 4.31Å; L322-L326 HydrophobicContact CG-CD1 4.29Å; L322-L326 WeakPolarHBondContact O-CG 2.97Å; L322-L326 PolarHBondContact O-N 3.12Å
323	C	97.3	Very high	89.1	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-56.2	-45.8	176.2	179.6	0	0	0	0	112.4	F56 L62 C64 F319 C320 K321 L325 L326 H327	F56-C323 HydrophobicContact CE1-CB 4.13Å; L62-C323 WeakPolarHBondContact CB-SG 3Å; L62-C323 HydrophobicContact CD1-CB 4.15Å; C64-C323 HydrophobicContact CB-CB 3.87Å; C64-C323 WeakPolarHBondContact CB-SG 3.36Å; C64-C323 WeakPolarHBondContact SG-CA 3.13Å; C64-C323 WeakPolarHBondContact SG-CB 2.96Å; C64-C323 CovalentContact SG-SG 1.99Å; C64-C323 PolarHBondContact SG-SG 3.12Å; F319-C323 WeakPolarHBondContact O-CB 3.34Å; F319-C323 PolarHBondContact O-N 3.17Å; C320-C323 WeakPolarHBondContact O-CB 3.48Å; C320-C323 PolarHBondContact O-N 2.03Å; K321-C323 VanDerWaalsContact C-N 3.29Å; K321-C323 PolarHBondContact O-N 2.83Å; C323-L325 PolarHBondContact O-N 2.99Å; C323-L326 PolarHBondContact O-N 3.33Å; C323-H327 PolarHBondContact O-CD2 2.99Å; C323-H327 VanDerWaalsContact O-CD2 3.25Å; C323-H327 PolarHBondContact O-N 2.91Å
324	Q	95.7	Very high	89.1	Confident	61 Å²	61	51.6 Å²	51.6	29%	0.285	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-43.1	175.9	-176.7	68.1	65.9	0	0	112.2	L62 C320 K321 L322 L326 H327 N328	L62-Q324 HydrophobicContact CD1-CB 3.93Å; L62-Q324 VanDerWaalsContact CD2-OE1 3.29Å; C320-Q324 WeakPolarHBondContact O-CB 3.34Å; C320-Q324 PolarHBondContact O-N 2.79Å; K321-Q324 WeakPolarHBondContact O-CB 3.34Å; K321-Q324 PolarHBondContact O-N 2.88Å; L322-Q324 VanDerWaalsContact C-N 3.34Å; L322-Q324 PolarHBondContact O-N 3.38Å; Q324-L326 VanDerWaalsContact C-N 3.3Å; Q324-L326 PolarHBondContact O-N 2.78Å; Q324-H327 PolarHBondContact O-N 2.96Å; Q324-N328 PolarHBondContact NE2-OD1 3.21Å; Q324-N328 PolarHBondContact O-N 3.47Å; Q324-N328 PolarHBondContact O-OD1 3.36Å
325	L	94.8	Very high	89.1	Confident	70 Å²	70	51.2 Å²	51.2	37%	0.366	27%	0.268	S	S	.	.	H	α-helix	trans	-61	-41.2	176.2	-69.6	176.4	0	0	0	111.6	D136 V137 K321 L322 C323 H327 N328 K329	D136-L325 WeakPolarHBondContact O-CD1 3.41Å; V137-L325 HydrophobicContact CG2-CD1 3.54Å; K321-L325 WeakPolarHBondContact O-CG 3.47Å; K321-L325 PolarHBondContact O-N 2.86Å; L322-L325 WeakPolarHBondContact O-CB 2.97Å; L322-L325 PolarHBondContact O-N 3.26Å; L322-L325 VanDerWaalsContact O-N 3.16Å; C323-L325 PolarHBondContact O-N 2.99Å; L325-H327 VanDerWaalsContact C-N 3.3Å; L325-H327 PolarHBondContact O-N 3.03Å; L325-N328 PolarHBondContact O-N 2.85Å; L325-K329 PolarHBondContact O-N 3.37Å
326	L	94.7	Very high	89	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67	-30.5	176.8	-62	175.9	0	0	0	112.4	R36 E38 I40 A78 L322 C323 Q324 K329	R36-L326 PolarHBondContact NH2-O 3.18Å; E38-L326 HydrophobicContact CB-CB 4.22Å; E38-L326 HydrophobicContact CB-CD1 4.31Å; E38-L326 HydrophobicContact CG-CB 3.79Å; I40-L326 HydrophobicContact CD1-CD1 4.07Å; I40-L326 HydrophobicContact CG1-CD1 3.7Å; A78-L326 HydrophobicContact CB-CD1 3.75Å; A78-L326 HydrophobicContact CB-CD2 4.07Å; A78-L326 HydrophobicContact CB-CG 4.5Å; L322-L326 HydrophobicContact CD1-CD1 4.42Å; L322-L326 HydrophobicContact CD1-CG 4.31Å; L322-L326 HydrophobicContact CG-CD1 4.29Å; L322-L326 WeakPolarHBondContact O-CG 2.97Å; L322-L326 PolarHBondContact O-N 3.12Å; C323-L326 PolarHBondContact O-N 3.33Å; Q324-L326 VanDerWaalsContact C-N 3.3Å; Q324-L326 PolarHBondContact O-N 2.78Å; L326-K329 WeakPolarHBondContact O-CD 3.45Å; L326-K329 WeakPolarHBondContact O-CE 3.42Å; L326-K329 WeakPolarHBondContact O-CG 3Å
327	H	92.4	Very high	89.1	Confident	13 Å²	13	55.7 Å²	55.7	6%	0.06	31%	0.308	C	S	.	.	H	α-helix	trans	-75	-34.6	172.9	-83.5	-61.8	0	0	0	113.4	F34 R36 E38 S63 C323 Q324 L325 K329	F34-H327 WeakPolarHBondContact CB-ND1 3.33Å; F34-H327 HydrophobicContact CD1-CB 3.94Å; F34-H327 AromaticContact CD1-CG 3.86Å; F34-H327 AromaticContact CD1-ND1 3.62Å; F34-H327 HydrophobicContact CE1-CB 3.94Å; F34-H327 HydrophobicContact CG-CB 4.33Å; F34-H327 AromaticContact CG-CG 3.84Å; F34-H327 AromaticContact CG-ND1 3.6Å; F34-H327 HydrophobicContact CZ-CB 4.33Å; R36-H327 PolarHBondContact O-CE1 3.16Å; E38-H327 IonicContact OE1-CE1 3.98Å; E38-H327 IonicContact OE1-ND1 3.83Å; S63-H327 PolarHBondContact N-NE2 3.44Å; S63-H327 PolarHBondContact O-CE1 3.06Å; S63-H327 PolarHBondContact O-NE2 2.65Å; S63-H327 VanDerWaalsContact O-NE2 3.08Å; C323-H327 PolarHBondContact O-CD2 2.99Å; C323-H327 VanDerWaalsContact O-CD2 3.25Å; C323-H327 PolarHBondContact O-N 2.91Å; Q324-H327 PolarHBondContact O-N 2.96Å; L325-H327 VanDerWaalsContact C-N 3.3Å; L325-H327 PolarHBondContact O-N 3.03Å; H327-K329 PolarHBondContact O-N 2.77Å
328	N	88.3	Confident	89.2	Confident	109 Å²	109	54.3 Å²	54.3	58%	0.583	30%	0.302	S	S	*	.	H	α-helix	trans	-70.9	-12.2	-178.8	-71.1	-4.3	0	0	0	113.5	Q324 L325	Q324-N328 PolarHBondContact NE2-OD1 3.21Å; Q324-N328 PolarHBondContact O-N 3.47Å; Q324-N328 PolarHBondContact O-OD1 3.36Å; L325-N328 PolarHBondContact O-N 2.85Å
329	K	78.6	Confident	89.3	Confident	41 Å²	41	61.1 Å²	61.1	18%	0.178	33%	0.334	C	S	.	.	S	Bend	trans	-78	137.3	176.1	84.5	-165.3	173.3	168.4	0	111.1	R36 E38 S77 H98 L325 L326 H327	R36-K329 PolarHBondContact NH1-O 3.46Å; R36-K329 PolarHBondContact NH2-O 2.8Å; R36-K329 VanDerWaalsContact NH2-O 3.1Å; E38-K329 IonicContact OE2-NZ 3.84Å; S77-K329 VanDerWaalsContact CB-NZ 3.27Å; S77-K329 PolarHBondContact OG-NZ 3.41Å; H98-K329 PolarHBondContact O-NZ 2.9Å; L325-K329 PolarHBondContact O-N 3.37Å; L326-K329 WeakPolarHBondContact O-CD 3.45Å; L326-K329 WeakPolarHBondContact O-CE 3.42Å; L326-K329 WeakPolarHBondContact O-CG 3Å; H327-K329 PolarHBondContact O-N 2.77Å
330	E	71	Confident	89.3	Confident	146 Å²	146	61.9 Å²	61.9	68%	0.682	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-61.5	140.5	166.5	-65.8	-171.4	170.3	0	0	110.2	L333	E330-L333 HydrophobicContact CB-CD1 3.85Å; E330-L333 HydrophobicContact CB-CG 4.33Å
331	S	64.5	Low	89.3	Confident	70 Å²	70	61.3 Å²	61.3	49%	0.49	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	140	178	-59.5	0	0	0	0	110.3	R36 L333	R36-S331 VanDerWaalsContact NH1-CA 3.32Å; R36-S331 PolarHBondContact NH1-OG 2.86Å; S331-L333 PolarHBondContact O-N 3.15Å
332	N	64	Low	89.4	Confident	157 Å²	157	62.6 Å²	62.6	84%	0.84	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	15.7	171.7	-51.2	-28.1	0	0	0	117.4
333	L	78.6	Confident	89.4	Confident	101 Å²	101	64.9 Å²	64.9	53%	0.529	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-90.3	147.8	168.8	-67.1	-179.3	0	0	0	112.2	E330 S331 V335	E330-L333 HydrophobicContact CB-CD1 3.85Å; E330-L333 HydrophobicContact CB-CG 4.33Å; S331-L333 PolarHBondContact O-N 3.15Å; L333-V335 PolarHBondContact O-N 2.85Å
334	T	89.8	Confident	89.4	Confident	105 Å²	105	64.9 Å²	64.9	64%	0.644	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-62	125.4	165.7	-58.7	0	0	0	0	109	S97	S97-T334 CarbonylContact O-C 3.49Å; S97-T334 WeakPolarHBondContact O-CA 3.04Å
335	V	92.9	Very high	89.4	Confident	18 Å²	18	65.6 Å²	65.6	11%	0.109	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-70	138.6	179.4	-57.3	0	0	0	0	111.1	S97 H98 Q99 H100 T126 L333	S97-V335 PolarHBondContact O-N 2.95Å; H98-V335 WeakPolarHBondContact O-CG1 3.47Å; Q99-V335 WeakPolarHBondContact O-CG2 3.41Å; H100-V335 VanDerWaalsContact CE1-CB 3.46Å; H100-V335 WeakPolarHBondContact CE1-CB 3.29Å; H100-V335 WeakPolarHBondContact NE2-CG1 3.45Å; T126-V335 HydrophobicContact CG2-CG2 4.3Å; L333-V335 PolarHBondContact O-N 2.85Å
336	A	92.6	Very high	89.5	Confident	80 Å²	80	65.6 Å²	65.6	66%	0.661	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-79	149	172	0	0	0	0	0	111
337	V	96.3	Very high	89.6	Confident	62 Å²	62	66.8 Å²	66.8	38%	0.376	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-81.7	123.8	169.9	-177.3	0	0	0	0	108.2	T126 A341 K342	T126-V337 HydrophobicContact CG2-CG2 4.12Å; V337-A341 HydrophobicContact CG1-CB 4.1Å; V337-K342 HydrophobicContact CG1-CB 4.5Å; V337-K342 HydrophobicContact CG1-CG 3.9Å
338	S	96.8	Very high	89.8	Confident	19 Å²	19	66.2 Å²	66.2	13%	0.133	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-65.9	160.3	176	74.4	0	0	0	0	112	T126 D136 T340 A341 K342	T126-S338 PolarHBondContact O-N 2.75Å; T126-S338 PolarHBondContact O-OG 2.84Å; D136-S338 VanDerWaalsContact CG-CB 3.49Å; D136-S338 VanDerWaalsContact CG-OG 3.28Å; D136-S338 WeakPolarHBondContact OD1-CB 3.2Å; D136-S338 PolarHBondContact OD1-OG 2.63Å; D136-S338 WeakPolarHBondContact OD2-CB 3.36Å; D136-S338 PolarHBondContact OD2-OG 2.98Å; S338-T340 VanDerWaalsContact C-N 3.27Å; S338-T340 PolarHBondContact O-N 3.38Å; S338-T340 PolarHBondContact OG-OG1 3.43Å; S338-A341 PolarHBondContact O-N 2.98Å; S338-A341 WeakPolarHBondContact OG-CB 3.39Å; S338-A341 PolarHBondContact OG-N 3.1Å; S338-A341 VanDerWaalsContact OG-N 3.16Å; S338-K342 WeakPolarHBondContact O-CG 3.46Å; S338-K342 PolarHBondContact O-N 2.96Å; S338-K342 VanDerWaalsContact O-N 3.12Å
339	Q	97.2	Very high	90.1	Very high	144 Å²	144	63.1 Å²	63.1	67%	0.673	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-36.5	-179.7	-63	-62.1	-22.1	0	0	112.4
340	T	97.7	Very high	90.9	Very high	16 Å²	16	66.1 Å²	66.1	10%	0.098	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-24.6	178.7	52	0	0	0	0	112.8	T128 D134 D136 S338 W347	T128-T340 PolarHBondContact OG1-OG1 2.97Å; D134-T340 WeakPolarHBondContact O-CG2 2.97Å; D136-T340 PolarHBondContact OD2-OG1 3.21Å; S338-T340 VanDerWaalsContact C-N 3.27Å; S338-T340 PolarHBondContact O-N 3.38Å; S338-T340 PolarHBondContact OG-OG1 3.43Å; T340-W347 HydrophobicContact CG2-CD2 3.88Å; T340-W347 HydrophobicContact CG2-CG 3.98Å; T340-W347 HydrophobicContact CG2-CZ2 4.06Å
341	A	98.1	Very high	92	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-14.3	177.5	0	0	0	0	0	114.7	T128 V337 S338 D343	T128-A341 HydrophobicContact CG2-CB 4.18Å; V337-A341 HydrophobicContact CG1-CB 4.1Å; S338-A341 PolarHBondContact O-N 2.98Å; S338-A341 WeakPolarHBondContact OG-CB 3.39Å; S338-A341 PolarHBondContact OG-N 3.1Å; S338-A341 VanDerWaalsContact OG-N 3.16Å; A341-D343 VanDerWaalsContact C-N 3.28Å; A341-D343 PolarHBondContact O-N 2.47Å
342	K	97.6	Very high	93.3	Very high	102 Å²	102	64.8 Å²	64.8	44%	0.443	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-43.6	177.5	-80	178.2	179.3	178.9	0	112.8	S122 V337 S338	S122-K342 WeakPolarHBondContact CA-O 3.33Å; S122-K342 WeakPolarHBondContact CB-O 3.29Å; S122-K342 PolarHBondContact OG-O 2.78Å; V337-K342 HydrophobicContact CG1-CB 4.5Å; V337-K342 HydrophobicContact CG1-CG 3.9Å; S338-K342 WeakPolarHBondContact O-CG 3.46Å; S338-K342 PolarHBondContact O-N 2.96Å; S338-K342 VanDerWaalsContact O-N 3.12Å
343	D	97.8	Very high	94.7	Very high	48 Å²	48	57.4 Å²	57.4	26%	0.257	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-148	93.1	172	-176.8	-13.3	0	0	0	108.1	S121 A341 M345 S346 W347	S121-D343 CarbonylContact O-C 3.48Å; S121-D343 WeakPolarHBondContact O-CA 3.29Å; A341-D343 VanDerWaalsContact C-N 3.28Å; A341-D343 PolarHBondContact O-N 2.47Å; D343-M345 PolarHBondContact O-N 3.21Å; D343-M345 WeakPolarHBondContact OD1-CB 3.14Å; D343-M345 PolarHBondContact OD1-N 2.77Å; D343-S346 VanDerWaalsContact CG-CB 3.4Å; D343-S346 PolarHBondContact O-N 3.16Å; D343-S346 PolarHBondContact OD1-N 2.95Å; D343-S346 VanDerWaalsContact OD2-CB 3.25Å; D343-S346 WeakPolarHBondContact OD2-CB 3.39Å; D343-S346 PolarHBondContact OD2-OG 3.2Å; D343-W347 PolarHBondContact O-N 3.32Å
344	V	98	Very high	95.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-34.2	-179.1	179.6	0	0	0	0	110.7	F103 F117 S121 Y125 T128 W347 Y348	F103-V344 HydrophobicContact CB-CG1 4.49Å; F103-V344 HydrophobicContact CB-CG2 4.28Å; F103-V344 HydrophobicContact CD1-CG1 3.6Å; F103-V344 HydrophobicContact CD2-CG1 3.93Å; F103-V344 HydrophobicContact CE1-CG1 3.64Å; F103-V344 HydrophobicContact CE2-CG1 3.95Å; F103-V344 HydrophobicContact CG-CG1 3.75Å; F103-V344 HydrophobicContact CG-CG2 4.38Å; F103-V344 HydrophobicContact CZ-CG1 3.81Å; F117-V344 HydrophobicContact CE2-CG1 3.88Å; S121-V344 PolarHBondContact O-N 3.01Å; Y125-V344 HydrophobicContact CD2-CG2 3.83Å; Y125-V344 HydrophobicContact CG-CG2 4.41Å; T128-V344 HydrophobicContact CG2-CG2 4.14Å; V344-W347 HydrophobicContact CG1-CE3 4.31Å; V344-W347 HydrophobicContact CG1-CZ3 4.45Å; V344-W347 PolarHBondContact O-N 3.39Å; V344-Y348 WeakPolarHBondContact O-CA 3.4Å; V344-Y348 WeakPolarHBondContact O-CB 3.17Å; V344-Y348 PolarHBondContact O-N 3.46Å
345	M	96.5	Very high	95.8	Very high	76 Å²	76	52.5 Å²	52.5	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-67.4	-48	179.8	-179.8	176.4	71.9	0	0	110.8	F117 S121 D343 W347 S349	F117-M345 HydrophobicContact CD1-CB 4.49Å; F117-M345 HydrophobicContact CD1-CG 4.33Å; F117-M345 HydrophobicContact CE1-CB 3.91Å; F117-M345 HydrophobicContact CE1-CG 3.74Å; F117-M345 HydrophobicContact CZ-CB 4.12Å; F117-M345 HydrophobicContact CZ-CG 4.38Å; S121-M345 VanDerWaalsContact CB-CB 3.5Å; D343-M345 PolarHBondContact O-N 3.21Å; D343-M345 WeakPolarHBondContact OD1-CB 3.14Å; D343-M345 PolarHBondContact OD1-N 2.77Å; M345-W347 PolarHBondContact O-N 2.99Å; M345-S349 WeakPolarHBondContact O-CB 3.48Å; M345-S349 PolarHBondContact O-N 3.45Å
346	S	96.1	Very high	95.9	Very high	70 Å²	70	56.4 Å²	56.4	49%	0.49	33%	0.327	S	S	.	.	H	α-helix	trans	-65.6	-34.5	177.3	-68.8	0	0	0	0	112.9	D343 K350	D343-S346 VanDerWaalsContact CG-CB 3.4Å; D343-S346 PolarHBondContact O-N 3.16Å; D343-S346 PolarHBondContact OD1-N 2.95Å; D343-S346 VanDerWaalsContact OD2-CB 3.25Å; D343-S346 WeakPolarHBondContact OD2-CB 3.39Å; D343-S346 PolarHBondContact OD2-OG 3.2Å; S346-K350 WeakPolarHBondContact O-CB 3.49Å
347	W	96.7	Very high	96.1	Very high	26 Å²	26	54.3 Å²	54.3	10%	0.098	31%	0.307	C	S	.	.	H	α-helix	trans	-76.1	-51.3	176.1	162.9	69.9	0	0	0	112.5	T128 T130 R132 D134 T340 D343 V344 M345	T128-W347 HydrophobicContact CG2-CE3 3.95Å; T128-W347 HydrophobicContact CG2-CH2 4.13Å; T128-W347 HydrophobicContact CG2-CZ3 3.53Å; T130-W347 HydrophobicContact CG2-CH2 3.91Å; T130-W347 HydrophobicContact CG2-CZ3 4.19Å; R132-W347 HydrophobicContact CB-CZ2 4.36Å; D134-W347 WeakPolarHBondContact OD1-CZ2 3.22Å; D134-W347 PolarHBondContact OD2-NE1 3Å; T340-W347 HydrophobicContact CG2-CD2 3.88Å; T340-W347 HydrophobicContact CG2-CG 3.98Å; T340-W347 HydrophobicContact CG2-CZ2 4.06Å; D343-W347 PolarHBondContact O-N 3.32Å; V344-W347 HydrophobicContact CG1-CE3 4.31Å; V344-W347 HydrophobicContact CG1-CZ3 4.45Å; V344-W347 PolarHBondContact O-N 3.39Å; M345-W347 PolarHBondContact O-N 2.99Å
348	Y	97.4	Very high	96.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-79.2	-32.2	-168.1	-161.8	-115.1	0	0	0	113.2	F103 L105 E107 P109 V112 F117 T130 Y131 R132 V344	F103-Y348 HydrophobicContact CZ-CD1 4.46Å; L105-Y348 HydrophobicContact CD2-CE1 3.77Å; E107-Y348 PolarHBondContact O-OH 3.25Å; P109-Y348 HydrophobicContact CG-CD1 4.14Å; P109-Y348 HydrophobicContact CG-CE1 4.14Å; P109-Y348 VanDerWaalsContact CG-O 3.24Å; P109-Y348 WeakPolarHBondContact CG-O 3.45Å; V112-Y348 HydrophobicContact CG1-CD1 4.11Å; V112-Y348 HydrophobicContact CG1-CE1 4.18Å; F117-Y348 HydrophobicContact CE2-CD1 4.24Å; F117-Y348 HydrophobicContact CZ-CD1 4.2Å; T130-Y348 HydrophobicContact CG2-CD2 4.31Å; T130-Y348 HydrophobicContact CG2-CE2 3.7Å; Y131-Y348 HydrophobicContact CE1-CE2 4.33Å; Y131-Y348 AromaticContact CE1-CZ 3.9Å; Y131-Y348 WeakPolarHBondContact CE1-OH 3.24Å; R132-Y348 HydrophobicContact CG-CE2 4.2Å; V344-Y348 WeakPolarHBondContact O-CA 3.4Å; V344-Y348 WeakPolarHBondContact O-CB 3.17Å; V344-Y348 PolarHBondContact O-N 3.46Å
349	S	95	Very high	96	Very high	44 Å²	44	52.4 Å²	52.4	31%	0.308	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	22.6	-175.3	-57	0	0	0	0	113.5	F117 M345	F117-S349 WeakPolarHBondContact CE1-OG 3.45Å; F117-S349 WeakPolarHBondContact CZ-OG 3.46Å; M345-S349 WeakPolarHBondContact O-CB 3.48Å; M345-S349 PolarHBondContact O-N 3.45Å
350	K	93.8	Very high	95.9	Very high	105 Å²	105	50.8 Å²	50.8	46%	0.457	28%	0.28	S	S	.	.			trans	-56.6	146.4	175.8	59.8	-177.2	-178.2	-177.5	0	111.8	S346 G352 T353	S346-K350 WeakPolarHBondContact O-CB 3.49Å; K350-G352 PolarHBondContact O-N 3.49Å; K350-T353 WeakPolarHBondContact CG-OG1 3.33Å; K350-T353 VanDerWaalsContact O-CB 3.24Å; K350-T353 WeakPolarHBondContact O-CB 3.42Å; K350-T353 PolarHBondContact O-N 3.19Å; K350-T353 PolarHBondContact O-OG1 3.08Å
351	P	93.7	Very high	95.7	Very high	133 Å²	133	54.3 Å²	54.3	86%	0.864	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	138.7	172	-27.5	35.3	0	0	0	112.2	T353	P351-T353 VanDerWaalsContact C-N 3.28Å; P351-T353 PolarHBondContact O-N 3.47Å
352	G	92.4	Very high	95.6	Very high	54 Å²	54	55.9 Å²	55.9	56%	0.557	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-3.8	-176.8	0	0	0	0	0	115.1	K350	K350-G352 PolarHBondContact O-N 3.49Å
353	T	94.5	Very high	95.5	Very high	2 Å²	2	53 Å²	53	1%	0.012	30%	0.295	C	S	.	.	S	Bend	trans	-69.6	-36.4	170.9	-59.2	0	0	0	0	111.7	P109 R132 C235 T236 K350 P351	P109-T353 HydrophobicContact CG-CG2 4.11Å; R132-T353 VanDerWaalsContact NH1-CG2 3.34Å; C235-T353 CarbonylContact C-O 3.55Å; C235-T353 WeakPolarHBondContact CA-O 3.46Å; C235-T353 WeakPolarHBondContact CB-O 2.98Å; T236-T353 PolarHBondContact N-O 1.99Å; T236-T353 PolarHBondContact OG1-O 2.98Å; K350-T353 WeakPolarHBondContact CG-OG1 3.33Å; K350-T353 VanDerWaalsContact O-CB 3.24Å; K350-T353 WeakPolarHBondContact O-CB 3.42Å; K350-T353 PolarHBondContact O-N 3.19Å; K350-T353 PolarHBondContact O-OG1 3.08Å; P351-T353 VanDerWaalsContact C-N 3.28Å; P351-T353 PolarHBondContact O-N 3.47Å
354	C	95.8	Very high	95.2	Very high	26 Å²	26	59.5 Å²	59.5	18%	0.176	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.3	179.6	-65.8	0	0	0	0	110.8	P109 Y110 V234 C235	P109-C354 VanDerWaalsContact CD-SG 3.6Å; P109-C354 VanDerWaalsContact CG-SG 3.53Å; Y110-C354 HydrophobicContact CD2-CB 4.28Å; Y110-C354 HydrophobicContact CE2-CB 3.45Å; Y110-C354 VanDerWaalsContact CE2-CB 3.45Å; V234-C354 CarbonylContact O-C 3.59Å; V234-C354 VanDerWaalsContact O-CA 3.3Å; V234-C354 WeakPolarHBondContact O-CA 3.39Å; C235-C354 HydrophobicContact CB-CB 4.07Å; C235-C354 WeakPolarHBondContact CB-SG 3.33Å; C235-C354 WeakPolarHBondContact SG-CB 3.49Å; C235-C354 CovalentContact SG-SG 2.04Å; C235-C354 PolarHBondContact SG-SG 2.81Å
355	H	95.3	Very high	94.6	Very high	78 Å²	78	62.6 Å²	62.6	36%	0.361	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	106.6	-177.5	-54.2	-77.3	0	0	0	109.5	V234 Y358	V234-H355 HydrophobicContact CB-CB 4.41Å; V234-H355 HydrophobicContact CG1-CB 4.4Å; V234-H355 PolarHBondContact O-N 3.31Å; H355-Y358 HydrophobicContact CB-CD2 3.96Å
356	D	95.1	Very high	94.5	Very high	99 Å²	99	62 Å²	62	53%	0.529	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	147.3	171.5	-72.3	-46.6	0	0	0	110.2	Y110 Y358	Y110-D356 WeakPolarHBondContact CE1-OD1 3.2Å; Y110-D356 PolarHBondContact OH-N 3.27Å; Y110-D356 PolarHBondContact OH-OD1 3Å; D356-Y358 PolarHBondContact O-N 3.09Å
357	S	96.3	Very high	94.4	Very high	36 Å²	36	61.5 Å²	61.5	25%	0.252	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	21	169.7	-52.5	0	0	0	0	115.7	P180 G359 Y360 D361	P180-S357 PolarHBondContact O-N 2.81Å; S357-G359 PolarHBondContact O-N 3.36Å; S357-Y360 WeakPolarHBondContact O-CA 3.39Å; S357-Y360 VanDerWaalsContact O-CB 3.29Å; S357-Y360 WeakPolarHBondContact O-CB 3.21Å; S357-Y360 PolarHBondContact O-N 3.18Å; S357-D361 PolarHBondContact O-N 2.82Å
358	Y	96.1	Very high	94.3	Very high	42 Å²	42	63.5 Å²	63.5	17%	0.165	34%	0.34	C	S	.	.	H	α-helix	trans	-52.2	-39.2	-175.9	-171.2	-82.5	0	0	0	113.2	S181 V234 F256 G257 H355 D356 Y360 D361 V362	S181-Y358 PolarHBondContact O-N 3.28Å; V234-Y358 HydrophobicContact CB-CG 4.17Å; V234-Y358 HydrophobicContact CG1-CD1 4.28Å; V234-Y358 HydrophobicContact CG1-CD2 3.9Å; V234-Y358 HydrophobicContact CG1-CE2 4.4Å; V234-Y358 HydrophobicContact CG1-CG 3.83Å; V234-Y358 HydrophobicContact CG2-CD1 4.21Å; V234-Y358 HydrophobicContact CG2-CG 4.01Å; F256-Y358 HydrophobicContact CB-CD1 3.77Å; F256-Y358 HydrophobicContact CB-CE1 3.59Å; F256-Y358 AromaticContact CD1-CD1 3.73Å; F256-Y358 HydrophobicContact CD1-CD1 3.73Å; F256-Y358 AromaticContact CD1-CE1 3.99Å; F256-Y358 HydrophobicContact CD1-CE1 3.99Å; F256-Y358 HydrophobicContact CD2-CD1 4.41Å; F256-Y358 HydrophobicContact CE1-CD1 4.43Å; F256-Y358 AromaticContact CG-CD1 3.73Å; F256-Y358 HydrophobicContact CG-CD1 3.73Å; F256-Y358 HydrophobicContact CG-CE1 4Å; G257-Y358 WeakPolarHBondContact CA-OH 3.33Å; H355-Y358 HydrophobicContact CB-CD2 3.96Å; D356-Y358 PolarHBondContact O-N 3.09Å; Y358-Y360 PolarHBondContact O-N 3.48Å; Y358-D361 PolarHBondContact O-N 2.8Å; Y358-V362 HydrophobicContact CD1-CB 4.15Å; Y358-V362 HydrophobicContact CE1-CB 3.81Å; Y358-V362 HydrophobicContact CE1-CG2 3.83Å; Y358-V362 VanDerWaalsContact O-CB 3.27Å; Y358-V362 WeakPolarHBondContact O-CB 3.47Å; Y358-V362 WeakPolarHBondContact O-CG1 3.46Å; Y358-V362 PolarHBondContact O-N 2.61Å
359	G	95.4	Very high	94.1	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-65	-24.4	176.9	0	0	0	0	0	114.3	S181 Y186 S357 L365	S181-G359 WeakPolarHBondContact O-CA 3.37Å; S181-G359 PolarHBondContact O-N 3.44Å; Y186-G359 WeakPolarHBondContact CD2-O 3.39Å; S357-G359 PolarHBondContact O-N 3.36Å; G359-L365 WeakPolarHBondContact O-CD1 3.41Å
360	Y	93.8	Very high	94.1	Very high	110 Å²	110	68.7 Å²	68.7	43%	0.431	36%	0.364	S	S	.	.	H	α-helix	trans	-82.5	-49	169.2	-175.5	-97.1	0	0	0	110.7	S357 Y358 K364 L365	S357-Y360 WeakPolarHBondContact O-CA 3.39Å; S357-Y360 VanDerWaalsContact O-CB 3.29Å; S357-Y360 WeakPolarHBondContact O-CB 3.21Å; S357-Y360 PolarHBondContact O-N 3.18Å; Y358-Y360 PolarHBondContact O-N 3.48Å; Y360-K364 WeakPolarHBondContact O-CA 3.37Å; Y360-K364 PolarHBondContact O-N 3.31Å; Y360-L365 HydrophobicContact CD2-CB 4.31Å; Y360-L365 WeakPolarHBondContact CE2-O 3.49Å; Y360-L365 PolarHBondContact O-N 3.45Å; Y360-L365 PolarHBondContact OH-O 3.5Å
361	D	95.4	Very high	94.1	Very high	90 Å²	90	66.3 Å²	66.3	48%	0.481	36%	0.357	S	S	.	.	H	α-helix	trans	-74.5	-29.4	-168.6	-66.9	-33.6	0	0	0	114.2	S357 Y358 H363 K364	S357-D361 PolarHBondContact O-N 2.82Å; Y358-D361 PolarHBondContact O-N 2.8Å; D361-H363 PolarHBondContact O-N 3.1Å; D361-H363 VanDerWaalsContact O-N 3.07Å; D361-K364 PolarHBondContact O-N 2.93Å
362	V	95.5	Very high	94.1	Very high	32 Å²	32	61.5 Å²	61.5	19%	0.194	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-35.1	-176.7	65.6	0	0	0	0	112.2	Y186 V273 D274 Y358	Y186-V362 HydrophobicContact CD2-CG1 3.73Å; Y186-V362 HydrophobicContact CE2-CG1 3.65Å; V273-V362 HydrophobicContact CG2-CG1 4.19Å; V273-V362 HydrophobicContact CG2-CG2 4.12Å; D274-V362 HydrophobicContact CB-CG2 3.84Å; Y358-V362 HydrophobicContact CD1-CB 4.15Å; Y358-V362 HydrophobicContact CE1-CB 3.81Å; Y358-V362 HydrophobicContact CE1-CG2 3.83Å; Y358-V362 VanDerWaalsContact O-CB 3.27Å; Y358-V362 WeakPolarHBondContact O-CB 3.47Å; Y358-V362 WeakPolarHBondContact O-CG1 3.46Å; Y358-V362 PolarHBondContact O-N 2.61Å
363	H	95.5	Very high	94.3	Very high	42 Å²	42	62.1 Å²	62.1	19%	0.194	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	14.1	176	-59.9	139.2	0	0	0	113.8	Y186 V273 F276 G278 D361 L365	Y186-H363 AromaticContact CE2-CE1 3.84Å; Y186-H363 AromaticContact CE2-ND1 3.36Å; Y186-H363 WeakPolarHBondContact CE2-ND1 3.48Å; Y186-H363 AromaticContact CZ-ND1 3.84Å; Y186-H363 PolarHBondContact OH-CE1 3.42Å; Y186-H363 PolarHBondContact OH-ND1 2.76Å; V273-H363 PolarHBondContact O-CE1 3.25Å; V273-H363 PolarHBondContact O-NE2 2.84Å; F276-H363 PolarHBondContact O-NE2 3.41Å; G278-H363 WeakPolarHBondContact CA-ND1 3.47Å; D361-H363 PolarHBondContact O-N 3.1Å; D361-H363 VanDerWaalsContact O-N 3.07Å; H363-L365 HydrophobicContact CB-CD2 3.75Å; H363-L365 HydrophobicContact CB-CG 4.14Å
364	K	90.9	Very high	94.3	Very high	184 Å²	184	67.1 Å²	67.1	80%	0.8	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	55.8	-179	-54	176.8	-176.5	176.6	0	112.8	Y360 D361	Y360-K364 WeakPolarHBondContact O-CA 3.37Å; Y360-K364 PolarHBondContact O-N 3.31Å; D361-K364 PolarHBondContact O-N 2.93Å
365	L	86	Confident	94.1	Very high	66 Å²	66	70.8 Å²	70.8	35%	0.346	34%	0.341	S	S	.	.			trans	-71.5	0	-167	-66	-175	0	0	0	116.5	Y186 V189 P279 G359 Y360 H363	Y186-L365 HydrophobicContact CD2-CD1 3.72Å; Y186-L365 HydrophobicContact CE2-CD1 4.3Å; Y186-L365 HydrophobicContact CG-CD1 4.14Å; V189-L365 HydrophobicContact CB-CD1 4.27Å; V189-L365 HydrophobicContact CG1-CD2 4.26Å; V189-L365 HydrophobicContact CG2-CB 4.26Å; V189-L365 HydrophobicContact CG2-CD1 4.15Å; V189-L365 HydrophobicContact CG2-CD2 4.45Å; P279-L365 HydrophobicContact CG-CD1 4.17Å; P279-L365 HydrophobicContact CG-CD2 3.76Å; G359-L365 WeakPolarHBondContact O-CD1 3.41Å; Y360-L365 HydrophobicContact CD2-CB 4.31Å; Y360-L365 WeakPolarHBondContact CE2-O 3.49Å; Y360-L365 PolarHBondContact O-N 3.45Å; Y360-L365 PolarHBondContact OH-O 3.5Å; H363-L365 HydrophobicContact CB-CD2 3.75Å; H363-L365 HydrophobicContact CB-CG 4.14Å

Retrieved 365 of 365 residues in 196 ms (Link to these results)

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